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 3gud_1_A DATA FIRST_RESID 622 DATA SEQUENCE ERHKTDIAPI SDKVLDAWEK VKFYQYKFKD AVDEKGEEAR YHFGVIAQQI DATA SEQUENCE VKVFEDEGLS AFDYGLVGYD EWEATEDEYD SEGNLVEKGR EAGNIYSIRP DATA SEQUENCE TECQWLEMAC MRRKLERLS 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 622 E HA 0.000 nan 4.350 nan 0.000 0.291 622 E C 0.000 176.626 176.600 0.043 0.000 1.382 622 E CA 0.000 56.433 56.400 0.055 0.000 0.976 622 E CB 0.000 29.787 29.700 0.144 0.000 0.812 623 R N 1.155 121.717 120.500 0.104 0.000 2.204 623 R HA 0.340 4.543 4.340 -0.228 0.000 0.341 623 R C -0.316 176.134 176.300 0.249 0.000 1.035 623 R CA 0.023 56.191 56.100 0.113 0.000 0.887 623 R CB -0.319 30.011 30.300 0.050 0.000 1.114 623 R HN 0.530 nan 8.270 nan 0.000 0.473 624 H N 1.170 120.241 119.070 0.002 0.000 2.567 624 H HA 0.191 4.611 4.556 -0.226 0.000 0.294 624 H C -0.115 175.215 175.328 0.003 0.000 1.050 624 H CA 0.010 56.060 56.048 0.004 0.000 1.168 624 H CB 0.673 30.439 29.762 0.007 0.000 1.422 624 H HN 0.112 nan 8.280 nan 0.000 0.562 625 K N 0.463 120.931 120.400 0.114 0.000 2.238 625 K HA 0.444 4.627 4.320 -0.228 0.000 0.239 625 K C -0.018 176.604 176.600 0.036 0.000 0.987 625 K CA -0.486 55.836 56.287 0.058 0.000 0.857 625 K CB 2.638 35.158 32.500 0.033 0.000 1.154 625 K HN -0.012 nan 8.250 nan 0.000 0.439 626 T N -1.002 113.566 114.554 0.024 0.000 2.637 626 T HA 0.115 4.328 4.350 -0.228 0.000 0.303 626 T C -1.373 173.335 174.700 0.013 0.000 1.288 626 T CA -0.442 61.668 62.100 0.017 0.000 1.040 626 T CB 0.514 69.391 68.868 0.014 0.000 1.644 626 T HN 0.719 nan 8.240 nan 0.000 0.480 627 D N 0.953 121.360 120.400 0.012 0.000 2.713 627 D HA -0.140 4.363 4.640 -0.228 0.000 0.231 627 D C -0.175 176.134 176.300 0.015 0.000 1.173 627 D CA 0.500 54.508 54.000 0.014 0.000 0.628 627 D CB -0.793 40.016 40.800 0.015 0.000 1.033 627 D HN 0.432 nan 8.370 nan 0.000 0.419 628 I N 0.162 120.737 120.570 0.009 0.000 2.395 628 I HA 0.485 4.517 4.170 -0.228 0.000 0.289 628 I C 0.444 176.561 176.117 -0.000 0.000 1.023 628 I CA -0.004 61.297 61.300 0.001 0.000 1.350 628 I CB 0.887 38.885 38.000 -0.003 0.000 1.409 628 I HN 0.203 nan 8.210 nan 0.000 0.507 629 A N 7.503 130.320 122.820 -0.005 0.000 2.522 629 A HA 0.669 4.852 4.320 -0.228 0.000 0.291 629 A C -2.780 174.796 177.584 -0.014 0.000 1.039 629 A CA -0.879 51.155 52.037 -0.005 0.000 0.643 629 A CB 0.001 19.006 19.000 0.008 0.000 1.310 629 A HN 0.539 nan 8.150 nan 0.000 0.436 630 P HA 0.517 nan 4.420 nan 0.000 0.271 630 P C -0.626 176.664 177.300 -0.016 0.000 1.244 630 P CA -0.278 62.807 63.100 -0.024 0.000 0.793 630 P CB 0.205 31.894 31.700 -0.019 0.000 0.984 631 I N 0.237 120.790 120.570 -0.028 0.000 2.452 631 I HA 0.023 4.056 4.170 -0.228 0.000 0.287 631 I C 1.061 177.165 176.117 -0.022 0.000 1.079 631 I CA -0.231 61.052 61.300 -0.029 0.000 1.387 631 I CB 0.463 38.430 38.000 -0.055 0.000 1.404 631 I HN 0.345 nan 8.210 nan 0.000 0.522 632 S N 4.224 119.919 115.700 -0.007 0.000 2.593 632 S HA -0.138 4.195 4.470 -0.228 0.000 0.303 632 S C 0.999 175.576 174.600 -0.038 0.000 1.267 632 S CA 0.105 58.302 58.200 -0.005 0.000 1.047 632 S CB 0.254 63.471 63.200 0.028 0.000 0.777 632 S HN 0.637 nan 8.310 nan 0.000 0.498 633 D N 2.801 123.186 120.400 -0.025 0.000 2.277 633 D HA 0.016 4.519 4.640 -0.228 0.000 0.209 633 D C 1.710 177.980 176.300 -0.051 0.000 0.970 633 D CA 0.600 54.581 54.000 -0.032 0.000 0.874 633 D CB 0.146 40.934 40.800 -0.019 0.000 0.982 633 D HN 0.586 nan 8.370 nan 0.000 0.504 634 K N 0.963 121.333 120.400 -0.050 0.000 2.057 634 K HA -0.068 4.115 4.320 -0.228 0.000 0.207 634 K C 2.260 178.767 176.600 -0.154 0.000 1.049 634 K CA 0.601 56.842 56.287 -0.076 0.000 0.931 634 K CB -0.734 31.742 32.500 -0.039 0.000 0.714 634 K HN 0.071 nan 8.250 nan 0.000 0.440 635 V N 2.072 121.887 119.914 -0.165 0.000 2.255 635 V HA -0.236 3.747 4.120 -0.228 0.000 0.247 635 V C 2.435 178.408 176.094 -0.201 0.000 1.051 635 V CA 1.488 63.613 62.300 -0.291 0.000 1.018 635 V CB -0.541 31.040 31.823 -0.404 0.000 0.641 635 V HN 0.123 nan 8.190 nan 0.000 0.445 636 L N 0.236 121.399 121.223 -0.099 0.000 2.131 636 L HA -0.159 4.044 4.340 -0.228 0.000 0.210 636 L C 1.983 178.859 176.870 0.009 0.000 1.092 636 L CA 1.877 56.717 54.840 0.000 0.000 0.759 636 L CB -1.055 41.002 42.059 -0.004 0.000 0.903 636 L HN 0.371 nan 8.230 nan 0.000 0.435 637 D N -1.138 119.223 120.400 -0.066 0.000 2.234 637 D HA -0.003 4.500 4.640 -0.228 0.000 0.205 637 D C 2.158 178.377 176.300 -0.134 0.000 0.962 637 D CA 1.139 55.092 54.000 -0.078 0.000 0.855 637 D CB 0.131 40.885 40.800 -0.077 0.000 0.951 637 D HN 0.373 nan 8.370 nan 0.000 0.500 638 A N 0.595 123.257 122.820 -0.263 0.000 1.898 638 A HA -0.115 4.068 4.320 -0.228 0.000 0.214 638 A C 2.090 179.528 177.584 -0.243 0.000 1.183 638 A CA 0.588 52.359 52.037 -0.444 0.000 0.622 638 A CB -1.034 17.324 19.000 -1.071 0.000 0.824 638 A HN 0.393 nan 8.150 nan 0.000 0.444 639 W N 0.945 122.104 121.300 -0.234 0.000 2.358 639 W HA -0.168 4.358 4.660 -0.224 0.000 0.303 639 W C 1.673 178.199 176.519 0.013 0.000 1.208 639 W CA 1.814 59.208 57.345 0.082 0.000 1.274 639 W CB -0.169 29.362 29.460 0.118 0.000 1.138 639 W HN 0.551 nan 8.180 nan 0.000 0.515 640 E N 0.531 120.720 120.200 -0.019 0.000 2.331 640 E HA -0.228 3.985 4.350 -0.228 0.000 0.199 640 E C 2.070 178.520 176.600 -0.249 0.000 1.008 640 E CA 1.112 57.435 56.400 -0.128 0.000 0.843 640 E CB -0.055 29.618 29.700 -0.045 0.000 0.761 640 E HN 0.158 nan 8.360 nan 0.000 0.507 641 K N 0.175 120.434 120.400 -0.234 0.000 2.243 641 K HA 0.007 4.190 4.320 -0.228 0.000 0.201 641 K C 0.718 177.154 176.600 -0.273 0.000 1.051 641 K CA 0.337 56.502 56.287 -0.204 0.000 0.970 641 K CB 0.352 32.779 32.500 -0.121 0.000 0.755 641 K HN 0.088 nan 8.250 nan 0.000 0.465 642 V N 1.970 121.611 119.914 -0.455 0.000 2.715 642 V HA 0.100 4.083 4.120 -0.228 0.000 0.299 642 V C -0.492 175.284 176.094 -0.531 0.000 1.054 642 V CA -0.397 61.604 62.300 -0.498 0.000 1.077 642 V CB 0.674 32.020 31.823 -0.795 0.000 0.972 642 V HN 0.073 nan 8.190 nan 0.000 0.484 643 K N 5.069 125.280 120.400 -0.314 0.000 2.118 643 K HA 0.552 4.735 4.320 -0.228 0.000 0.254 643 K C -1.187 175.293 176.600 -0.199 0.000 0.961 643 K CA -0.484 55.575 56.287 -0.380 0.000 0.876 643 K CB 1.327 33.584 32.500 -0.405 0.000 1.077 643 K HN 0.601 nan 8.250 nan 0.000 0.440 644 F N 1.504 121.298 119.950 -0.260 0.000 2.404 644 F HA 0.364 4.765 4.527 -0.209 0.000 0.339 644 F C -0.070 175.574 175.800 -0.259 0.000 1.105 644 F CA -0.897 57.039 58.000 -0.107 0.000 1.087 644 F CB 0.376 39.352 39.000 -0.039 0.000 1.143 644 F HN 0.354 nan 8.300 nan 0.000 0.491 645 Y N 0.107 120.621 120.300 0.356 0.000 2.570 645 Y HA 0.469 4.879 4.550 -0.233 0.000 0.345 645 Y C -0.273 175.828 175.900 0.336 0.000 1.014 645 Y CA -1.195 57.096 58.100 0.319 0.000 1.063 645 Y CB 1.928 40.611 38.460 0.371 0.000 1.272 645 Y HN 0.522 nan 8.280 nan 0.000 0.477 646 Q N 1.993 122.057 119.800 0.440 0.000 2.309 646 Q HA 0.717 4.920 4.340 -0.228 0.000 0.264 646 Q C -1.879 174.353 176.000 0.387 0.000 1.008 646 Q CA -0.747 55.244 55.803 0.313 0.000 0.853 646 Q CB 2.435 31.319 28.738 0.244 0.000 1.314 646 Q HN 0.720 nan 8.270 nan 0.000 0.448 647 Y N -1.391 119.124 120.300 0.359 0.000 2.713 647 Y HA 0.607 5.017 4.550 -0.234 0.000 0.335 647 Y C -1.673 174.254 175.900 0.045 0.000 1.222 647 Y CA -1.345 56.872 58.100 0.195 0.000 1.061 647 Y CB 1.340 39.807 38.460 0.012 0.000 1.314 647 Y HN 0.575 nan 8.280 nan 0.000 0.453 648 K N 0.787 121.241 120.400 0.091 0.000 2.328 648 K HA 0.531 4.714 4.320 -0.228 0.000 0.246 648 K C -1.793 174.831 176.600 0.040 0.000 0.955 648 K CA -0.890 55.350 56.287 -0.078 0.000 0.817 648 K CB 2.204 34.552 32.500 -0.253 0.000 1.208 648 K HN 0.558 nan 8.250 nan 0.000 0.432 649 F N 2.295 122.267 119.950 0.038 0.000 2.438 649 F HA 0.125 4.511 4.527 -0.236 0.000 0.356 649 F C 1.608 177.422 175.800 0.023 0.000 1.099 649 F CA 0.028 58.077 58.000 0.083 0.000 1.185 649 F CB 0.885 39.947 39.000 0.102 0.000 1.115 649 F HN 0.410 nan 8.300 nan 0.000 0.526 650 K N 1.114 121.607 120.400 0.156 0.000 2.218 650 K HA -0.222 3.961 4.320 -0.228 0.000 0.205 650 K C 1.264 177.925 176.600 0.103 0.000 1.046 650 K CA 1.362 57.705 56.287 0.094 0.000 0.933 650 K CB -0.088 32.450 32.500 0.064 0.000 0.728 650 K HN 0.621 nan 8.250 nan 0.000 0.454 651 D N 0.941 121.436 120.400 0.159 0.000 2.095 651 D HA -0.137 4.366 4.640 -0.228 0.000 0.192 651 D C 1.876 178.213 176.300 0.061 0.000 0.990 651 D CA 1.729 55.790 54.000 0.102 0.000 0.836 651 D CB -0.181 40.683 40.800 0.107 0.000 0.979 651 D HN 0.156 nan 8.370 nan 0.000 0.447 652 A N 0.077 122.941 122.820 0.074 0.000 1.933 652 A HA -0.121 4.062 4.320 -0.228 0.000 0.218 652 A C 2.591 180.177 177.584 0.003 0.000 1.175 652 A CA 1.501 53.550 52.037 0.021 0.000 0.628 652 A CB -0.700 18.308 19.000 0.014 0.000 0.814 652 A HN 0.221 nan 8.150 nan 0.000 0.444 653 V N 0.582 120.505 119.914 0.015 0.000 2.358 653 V HA -0.189 3.794 4.120 -0.228 0.000 0.246 653 V C 1.902 177.993 176.094 -0.006 0.000 1.047 653 V CA 2.163 64.455 62.300 -0.013 0.000 1.035 653 V CB -0.669 31.145 31.823 -0.015 0.000 0.658 653 V HN 0.510 nan 8.190 nan 0.000 0.452 654 D N -0.482 119.922 120.400 0.007 0.000 2.269 654 D HA -0.117 4.386 4.640 -0.228 0.000 0.208 654 D C 2.085 178.385 176.300 -0.000 0.000 0.963 654 D CA 0.777 54.780 54.000 0.006 0.000 0.864 654 D CB 0.090 40.898 40.800 0.013 0.000 0.936 654 D HN 0.533 nan 8.370 nan 0.000 0.505 655 E N 0.458 120.657 120.200 -0.002 0.000 2.016 655 E HA -0.014 4.199 4.350 -0.228 0.000 0.190 655 E C 1.024 177.615 176.600 -0.014 0.000 0.985 655 E CA 0.885 57.279 56.400 -0.009 0.000 0.802 655 E CB 0.266 29.959 29.700 -0.012 0.000 0.762 655 E HN 0.082 nan 8.360 nan 0.000 0.448 656 K N -0.291 120.097 120.400 -0.020 0.000 2.478 656 K HA 0.260 4.443 4.320 -0.228 0.000 0.205 656 K C 0.300 176.883 176.600 -0.028 0.000 1.033 656 K CA 0.155 56.427 56.287 -0.025 0.000 1.091 656 K CB 1.575 34.056 32.500 -0.032 0.000 0.844 656 K HN 0.239 nan 8.250 nan 0.000 0.507 657 G N 2.256 111.041 108.800 -0.024 0.000 2.578 657 G HA2 -0.312 3.511 3.960 -0.228 0.000 0.275 657 G HA3 -0.312 3.511 3.960 -0.228 0.000 0.275 657 G C 0.245 175.117 174.900 -0.046 0.000 1.271 657 G CA -0.149 44.935 45.100 -0.026 0.000 0.941 657 G HN 0.314 nan 8.290 nan 0.000 0.564 658 E N 0.724 120.897 120.200 -0.045 0.000 2.438 658 E HA 0.041 4.254 4.350 -0.228 0.000 0.192 658 E C 1.964 178.520 176.600 -0.073 0.000 1.110 658 E CA 0.695 57.053 56.400 -0.070 0.000 0.893 658 E CB 0.113 29.788 29.700 -0.042 0.000 0.990 658 E HN 0.691 nan 8.360 nan 0.000 0.490 659 E N 0.538 120.703 120.200 -0.058 0.000 2.268 659 E HA -0.026 4.187 4.350 -0.228 0.000 0.195 659 E C 0.383 176.934 176.600 -0.083 0.000 0.995 659 E CA 0.116 56.484 56.400 -0.052 0.000 0.836 659 E CB 0.208 29.886 29.700 -0.037 0.000 0.763 659 E HN 0.139 nan 8.360 nan 0.000 0.491 660 A N 1.520 124.271 122.820 -0.115 0.000 2.520 660 A HA 0.092 4.275 4.320 -0.228 0.000 0.245 660 A C -0.208 177.225 177.584 -0.252 0.000 1.072 660 A CA -0.062 51.882 52.037 -0.155 0.000 0.761 660 A CB 0.149 19.062 19.000 -0.144 0.000 1.004 660 A HN 0.192 nan 8.150 nan 0.000 0.499 661 R N 0.938 121.291 120.500 -0.245 0.000 2.694 661 R HA 0.223 4.426 4.340 -0.228 0.000 0.268 661 R C -1.140 174.869 176.300 -0.486 0.000 1.061 661 R CA 0.121 56.051 56.100 -0.285 0.000 1.133 661 R CB 0.224 30.393 30.300 -0.218 0.000 1.020 661 R HN 0.662 nan 8.270 nan 0.000 0.475 662 Y N 0.756 120.864 120.300 -0.320 0.000 2.304 662 Y HA 0.161 4.573 4.550 -0.231 0.000 0.328 662 Y C 0.345 175.841 175.900 -0.673 0.000 1.123 662 Y CA 0.144 58.005 58.100 -0.398 0.000 1.218 662 Y CB 0.929 39.292 38.460 -0.163 0.000 1.207 662 Y HN 0.474 nan 8.280 nan 0.000 0.495 663 H N 2.881 121.703 119.070 -0.414 0.000 2.569 663 H HA 0.488 4.911 4.556 -0.221 0.000 0.357 663 H C -1.314 173.555 175.328 -0.765 0.000 1.153 663 H CA -0.994 54.660 56.048 -0.657 0.000 1.193 663 H CB 1.570 31.148 29.762 -0.305 0.000 1.602 663 H HN 0.470 nan 8.280 nan 0.000 0.523 664 F N 0.880 120.775 119.950 -0.093 0.000 2.469 664 F HA 0.662 5.044 4.527 -0.242 0.000 0.332 664 F C 0.846 176.633 175.800 -0.021 0.000 1.103 664 F CA -0.472 57.466 58.000 -0.103 0.000 0.979 664 F CB 2.106 41.064 39.000 -0.070 0.000 1.137 664 F HN 0.756 nan 8.300 nan 0.000 0.463 665 G N 0.677 109.659 108.800 0.304 0.000 2.356 665 G HA2 0.437 4.260 3.960 -0.228 0.000 0.281 665 G HA3 0.437 4.260 3.960 -0.228 0.000 0.281 665 G C -1.525 173.628 174.900 0.421 0.000 1.246 665 G CA -0.334 44.927 45.100 0.268 0.000 0.889 665 G HN 0.732 nan 8.290 nan 0.000 0.486 666 V N -1.652 118.498 119.914 0.393 0.000 3.211 666 V HA 0.869 4.852 4.120 -0.228 0.000 0.319 666 V C -0.042 176.214 176.094 0.270 0.000 1.096 666 V CA -1.156 61.401 62.300 0.429 0.000 1.029 666 V CB 1.656 33.736 31.823 0.428 0.000 1.137 666 V HN 0.724 nan 8.190 nan 0.000 0.453 667 I N 1.225 121.902 120.570 0.177 0.000 2.439 667 I HA 0.502 4.535 4.170 -0.228 0.000 0.285 667 I C 1.289 177.394 176.117 -0.020 0.000 1.021 667 I CA -0.536 60.742 61.300 -0.035 0.000 1.091 667 I CB 1.740 39.582 38.000 -0.263 0.000 1.242 667 I HN 0.880 nan 8.210 nan 0.000 0.439 668 A N 4.728 127.537 122.820 -0.019 0.000 1.884 668 A HA -0.269 3.914 4.320 -0.228 0.000 0.219 668 A C 1.995 179.520 177.584 -0.098 0.000 1.197 668 A CA 1.990 54.017 52.037 -0.017 0.000 0.637 668 A CB -0.392 18.638 19.000 0.050 0.000 0.827 668 A HN 0.788 nan 8.150 nan 0.000 0.450 669 Q N -0.762 118.937 119.800 -0.167 0.000 2.096 669 Q HA -0.235 3.968 4.340 -0.228 0.000 0.204 669 Q C 2.260 178.182 176.000 -0.129 0.000 0.982 669 Q CA 2.172 57.833 55.803 -0.236 0.000 0.850 669 Q CB -0.338 28.260 28.738 -0.232 0.000 0.901 669 Q HN 0.935 nan 8.270 nan 0.000 0.422 670 Q N 0.087 119.838 119.800 -0.081 0.000 2.119 670 Q HA -0.144 4.059 4.340 -0.228 0.000 0.201 670 Q C 1.816 177.819 176.000 0.006 0.000 0.972 670 Q CA 1.270 57.061 55.803 -0.020 0.000 0.847 670 Q CB -0.187 28.573 28.738 0.037 0.000 0.903 670 Q HN 0.435 nan 8.270 nan 0.000 0.433 671 I N 1.252 121.822 120.570 -0.001 0.000 2.142 671 I HA -0.232 3.801 4.170 -0.228 0.000 0.240 671 I C 2.435 178.564 176.117 0.020 0.000 1.078 671 I CA 1.377 62.687 61.300 0.016 0.000 1.343 671 I CB -0.520 37.485 38.000 0.009 0.000 1.046 671 I HN 0.356 nan 8.210 nan 0.000 0.405 672 V N -1.313 118.583 119.914 -0.029 0.000 2.828 672 V HA -0.235 3.748 4.120 -0.228 0.000 0.260 672 V C 2.163 178.318 176.094 0.102 0.000 1.101 672 V CA 1.692 64.004 62.300 0.020 0.000 1.123 672 V CB -0.767 31.068 31.823 0.019 0.000 0.704 672 V HN 0.378 nan 8.190 nan 0.000 0.493 673 K N 0.346 120.794 120.400 0.080 0.000 2.141 673 K HA 0.101 4.284 4.320 -0.228 0.000 0.202 673 K C 2.124 178.798 176.600 0.124 0.000 1.045 673 K CA 1.259 57.594 56.287 0.079 0.000 0.971 673 K CB 0.196 32.713 32.500 0.027 0.000 0.795 673 K HN 0.563 nan 8.250 nan 0.000 0.459 674 V N -1.062 118.944 119.914 0.154 0.000 2.626 674 V HA -0.146 3.837 4.120 -0.228 0.000 0.252 674 V C 1.813 178.025 176.094 0.197 0.000 1.067 674 V CA 1.380 63.763 62.300 0.139 0.000 1.081 674 V CB -0.870 31.010 31.823 0.095 0.000 0.686 674 V HN 0.145 nan 8.190 nan 0.000 0.468 675 F N 0.835 120.822 119.950 0.061 0.000 2.259 675 F HA 0.038 4.427 4.527 -0.231 0.000 0.298 675 F C 2.644 178.495 175.800 0.086 0.000 1.088 675 F CA 1.685 59.743 58.000 0.096 0.000 1.358 675 F CB -0.067 39.023 39.000 0.151 0.000 1.040 675 F HN 0.147 nan 8.300 nan 0.000 0.505 676 E N 0.287 120.638 120.200 0.252 0.000 2.072 676 E HA -0.198 4.015 4.350 -0.228 0.000 0.191 676 E C 1.655 178.310 176.600 0.091 0.000 0.985 676 E CA 1.291 57.782 56.400 0.151 0.000 0.801 676 E CB -0.060 29.711 29.700 0.118 0.000 0.750 676 E HN 0.343 nan 8.360 nan 0.000 0.452 677 D N 0.480 120.922 120.400 0.070 0.000 2.117 677 D HA -0.188 4.315 4.640 -0.228 0.000 0.197 677 D C 1.760 178.069 176.300 0.016 0.000 0.987 677 D CA 1.149 55.168 54.000 0.033 0.000 0.829 677 D CB -0.175 40.635 40.800 0.017 0.000 0.961 677 D HN 0.192 nan 8.370 nan 0.000 0.460 678 E N -0.050 120.150 120.200 0.001 0.000 2.502 678 E HA 0.098 4.311 4.350 -0.228 0.000 0.194 678 E C 1.044 177.645 176.600 0.001 0.000 1.062 678 E CA 0.772 57.153 56.400 -0.032 0.000 0.867 678 E CB -0.136 29.499 29.700 -0.109 0.000 0.888 678 E HN 0.211 nan 8.360 nan 0.000 0.510 679 G N 0.336 109.160 108.800 0.041 0.000 2.136 679 G HA2 -0.255 3.568 3.960 -0.228 0.000 0.242 679 G HA3 -0.255 3.568 3.960 -0.228 0.000 0.242 679 G C -0.044 174.917 174.900 0.102 0.000 0.989 679 G CA 0.516 45.654 45.100 0.063 0.000 0.682 679 G HN 0.239 nan 8.290 nan 0.000 0.522 680 L N -0.188 121.127 121.223 0.152 0.000 2.335 680 L HA 0.834 5.037 4.340 -0.228 0.000 0.268 680 L C 0.709 177.789 176.870 0.350 0.000 1.016 680 L CA -0.768 54.227 54.840 0.257 0.000 0.805 680 L CB 1.937 44.170 42.059 0.290 0.000 1.311 680 L HN 0.171 nan 8.230 nan 0.000 0.456 681 S N -0.527 115.403 115.700 0.383 0.000 2.456 681 S HA 0.516 4.849 4.470 -0.228 0.000 0.316 681 S C 0.639 175.478 174.600 0.399 0.000 1.089 681 S CA -0.216 58.199 58.200 0.358 0.000 1.101 681 S CB 1.609 64.960 63.200 0.252 0.000 0.995 681 S HN 0.677 nan 8.310 nan 0.000 0.468 682 A N 4.646 127.597 122.820 0.218 0.000 2.019 682 A HA 0.079 4.262 4.320 -0.228 0.000 0.219 682 A C 1.362 178.935 177.584 -0.017 0.000 1.164 682 A CA 1.185 53.102 52.037 -0.200 0.000 0.644 682 A CB -0.759 17.940 19.000 -0.503 0.000 0.805 682 A HN 0.844 nan 8.150 nan 0.000 0.449 683 F N 0.564 120.541 119.950 0.046 0.000 2.293 683 F HA -0.122 4.272 4.527 -0.221 0.000 0.300 683 F C 1.758 177.578 175.800 0.032 0.000 1.086 683 F CA 1.467 59.500 58.000 0.055 0.000 1.375 683 F CB -0.133 38.903 39.000 0.060 0.000 1.045 683 F HN 0.210 nan 8.300 nan 0.000 0.516 684 D N -1.500 119.010 120.400 0.184 0.000 2.224 684 D HA -0.151 4.352 4.640 -0.228 0.000 0.205 684 D C 1.392 177.556 176.300 -0.225 0.000 0.965 684 D CA 1.225 55.204 54.000 -0.035 0.000 0.852 684 D CB -0.403 40.326 40.800 -0.117 0.000 0.947 684 D HN 0.336 nan 8.370 nan 0.000 0.494 685 Y N -0.123 120.241 120.300 0.107 0.000 2.468 685 Y HA 0.285 4.697 4.550 -0.230 0.000 0.268 685 Y C 1.599 177.518 175.900 0.032 0.000 1.177 685 Y CA -0.054 58.093 58.100 0.078 0.000 1.265 685 Y CB 0.420 38.951 38.460 0.118 0.000 1.103 685 Y HN -0.052 nan 8.280 nan 0.000 0.522 686 G N 0.970 109.836 108.800 0.110 0.000 2.305 686 G HA2 -0.304 3.519 3.960 -0.228 0.000 0.287 686 G HA3 -0.304 3.519 3.960 -0.228 0.000 0.287 686 G C 0.658 175.571 174.900 0.022 0.000 1.036 686 G CA 0.701 45.838 45.100 0.062 0.000 0.887 686 G HN 0.525 nan 8.290 nan 0.000 0.505 687 L N -1.805 119.403 121.223 -0.026 0.000 2.416 687 L HA 0.349 4.552 4.340 -0.228 0.000 0.216 687 L C 0.978 177.791 176.870 -0.094 0.000 1.098 687 L CA 0.357 55.162 54.840 -0.058 0.000 0.840 687 L CB 0.304 42.303 42.059 -0.100 0.000 0.981 687 L HN 0.212 nan 8.230 nan 0.000 0.462 688 V N -0.942 118.840 119.914 -0.219 0.000 2.971 688 V HA 0.732 4.715 4.120 -0.228 0.000 0.309 688 V C -0.252 175.601 176.094 -0.403 0.000 1.130 688 V CA -0.663 61.443 62.300 -0.324 0.000 0.964 688 V CB 2.121 33.644 31.823 -0.500 0.000 1.029 688 V HN 0.075 nan 8.190 nan 0.000 0.427 689 G N 1.372 110.072 108.800 -0.166 0.000 2.498 689 G HA2 0.681 4.504 3.960 -0.228 0.000 0.312 689 G HA3 0.681 4.504 3.960 -0.228 0.000 0.312 689 G C -2.254 172.759 174.900 0.189 0.000 1.230 689 G CA -0.548 44.572 45.100 0.033 0.000 0.968 689 G HN 0.643 nan 8.290 nan 0.000 0.481 690 Y N 0.520 120.930 120.300 0.184 0.000 2.477 690 Y HA 0.616 5.028 4.550 -0.230 0.000 0.347 690 Y C -1.595 174.274 175.900 -0.053 0.000 0.981 690 Y CA -0.975 57.069 58.100 -0.094 0.000 1.033 690 Y CB 2.783 41.171 38.460 -0.120 0.000 1.245 690 Y HN 0.570 nan 8.280 nan 0.000 0.455 691 D N 3.705 123.590 120.400 -0.860 0.000 2.934 691 D HA 0.274 4.777 4.640 -0.228 0.000 0.230 691 D C -1.830 174.067 176.300 -0.672 0.000 1.204 691 D CA -0.296 53.437 54.000 -0.444 0.000 0.873 691 D CB 1.803 42.564 40.800 -0.065 0.000 1.645 691 D HN 0.676 nan 8.370 nan 0.000 0.502 692 E N 3.021 123.049 120.200 -0.286 0.000 2.383 692 E HA 0.597 4.810 4.350 -0.228 0.000 0.275 692 E C -1.627 174.988 176.600 0.026 0.000 0.918 692 E CA -0.765 55.439 56.400 -0.328 0.000 0.764 692 E CB 1.781 31.364 29.700 -0.196 0.000 1.252 692 E HN 0.516 nan 8.360 nan 0.000 0.449 693 W N 1.578 122.838 121.300 -0.068 0.000 3.075 693 W HA 0.614 5.135 4.660 -0.231 0.000 0.334 693 W C -0.730 175.776 176.519 -0.021 0.000 1.243 693 W CA -0.854 56.465 57.345 -0.043 0.000 1.170 693 W CB 0.292 29.721 29.460 -0.051 0.000 1.452 693 W HN 0.131 nan 8.180 nan 0.000 0.572 694 E N 1.218 121.579 120.200 0.268 0.000 2.349 694 E HA 0.457 4.670 4.350 -0.228 0.000 0.265 694 E C -0.270 176.457 176.600 0.212 0.000 1.064 694 E CA -0.397 56.100 56.400 0.161 0.000 0.886 694 E CB 1.545 31.308 29.700 0.104 0.000 1.036 694 E HN 0.597 nan 8.360 nan 0.000 0.413 695 A N 2.358 125.256 122.820 0.131 0.000 2.376 695 A HA 0.288 4.471 4.320 -0.228 0.000 0.298 695 A C 0.353 177.985 177.584 0.080 0.000 1.271 695 A CA -0.436 51.673 52.037 0.120 0.000 0.926 695 A CB -0.572 18.474 19.000 0.077 0.000 1.141 695 A HN 0.508 nan 8.150 nan 0.000 0.539 696 T N 1.268 115.864 114.554 0.070 0.000 2.856 696 T HA 0.409 4.622 4.350 -0.228 0.000 0.292 696 T C -0.013 174.692 174.700 0.009 0.000 0.980 696 T CA -0.768 61.349 62.100 0.028 0.000 1.091 696 T CB 0.879 69.750 68.868 0.004 0.000 0.936 696 T HN 0.590 nan 8.240 nan 0.000 0.503 697 E N 1.872 122.071 120.200 -0.002 0.000 2.418 697 E HA 0.050 4.263 4.350 -0.228 0.000 0.261 697 E C -0.325 176.239 176.600 -0.059 0.000 1.070 697 E CA -0.050 56.342 56.400 -0.014 0.000 0.931 697 E CB 0.421 30.118 29.700 -0.005 0.000 0.954 697 E HN 0.628 nan 8.360 nan 0.000 0.439 698 D N 2.415 122.766 120.400 -0.082 0.000 2.336 698 D HA 0.108 4.611 4.640 -0.228 0.000 0.249 698 D C -0.541 175.544 176.300 -0.359 0.000 1.213 698 D CA 0.091 53.962 54.000 -0.216 0.000 0.870 698 D CB 0.490 41.180 40.800 -0.184 0.000 1.076 698 D HN 0.076 nan 8.370 nan 0.000 0.483 699 E N 2.595 122.564 120.200 -0.386 0.000 2.165 699 E HA 0.208 4.421 4.350 -0.228 0.000 0.266 699 E C -0.771 175.604 176.600 -0.375 0.000 0.889 699 E CA -0.744 55.470 56.400 -0.309 0.000 0.756 699 E CB 1.055 30.695 29.700 -0.101 0.000 1.131 699 E HN 0.349 nan 8.360 nan 0.000 0.411 700 Y N 1.409 121.709 120.300 0.001 0.000 2.342 700 Y HA 0.527 4.940 4.550 -0.228 0.000 0.338 700 Y C 0.277 176.177 175.900 -0.000 0.000 0.965 700 Y CA -0.825 57.276 58.100 0.000 0.000 1.159 700 Y CB 1.401 39.861 38.460 0.001 0.000 1.157 700 Y HN 0.157 nan 8.280 nan 0.000 0.486 701 D N 0.264 120.740 120.400 0.126 0.000 2.583 701 D HA 0.125 4.628 4.640 -0.228 0.000 0.248 701 D C -0.413 175.919 176.300 0.054 0.000 1.209 701 D CA -0.642 53.405 54.000 0.079 0.000 0.848 701 D CB 2.050 42.879 40.800 0.049 0.000 1.431 701 D HN 0.423 nan 8.370 nan 0.000 0.436 702 S N -0.282 115.442 115.700 0.039 0.000 2.767 702 S HA 0.293 4.626 4.470 -0.228 0.000 0.253 702 S C 0.302 174.924 174.600 0.037 0.000 1.082 702 S CA -0.086 58.136 58.200 0.038 0.000 1.148 702 S CB 0.139 63.353 63.200 0.024 0.000 0.808 702 S HN 0.341 nan 8.310 nan 0.000 0.466 703 E N 0.105 120.335 120.200 0.051 0.000 2.447 703 E HA 0.683 4.896 4.350 -0.228 0.000 0.258 703 E C 0.992 177.619 176.600 0.044 0.000 0.916 703 E CA -0.414 56.007 56.400 0.035 0.000 0.846 703 E CB 0.521 30.239 29.700 0.030 0.000 1.517 703 E HN 0.129 nan 8.360 nan 0.000 0.418 704 G N 0.470 109.269 108.800 -0.001 0.000 3.061 704 G HA2 -0.033 3.789 3.960 -0.228 0.000 0.208 704 G HA3 -0.033 3.789 3.960 -0.228 0.000 0.208 704 G C -0.099 174.818 174.900 0.028 0.000 1.175 704 G CA -0.038 45.019 45.100 -0.071 0.000 0.812 704 G HN 0.132 nan 8.290 nan 0.000 0.523 705 N N 0.597 119.370 118.700 0.121 0.000 2.518 705 N HA 0.200 4.803 4.740 -0.228 0.000 0.283 705 N C -0.634 175.021 175.510 0.243 0.000 1.119 705 N CA -0.390 52.751 53.050 0.153 0.000 0.983 705 N CB 1.901 40.436 38.487 0.081 0.000 1.139 705 N HN -0.049 nan 8.380 nan 0.000 0.465 706 L N 3.323 124.669 121.223 0.204 0.000 2.276 706 L HA 0.199 4.402 4.340 -0.228 0.000 0.286 706 L C 0.694 177.561 176.870 -0.005 0.000 1.061 706 L CA -0.117 54.763 54.840 0.068 0.000 0.807 706 L CB 1.212 43.307 42.059 0.059 0.000 1.177 706 L HN 0.297 nan 8.230 nan 0.000 0.429 707 V N 3.919 123.798 119.914 -0.057 0.000 2.627 707 V HA 0.234 4.217 4.120 -0.228 0.000 0.239 707 V C 0.663 176.718 176.094 -0.065 0.000 1.077 707 V CA 0.504 62.776 62.300 -0.046 0.000 1.103 707 V CB 0.171 31.970 31.823 -0.040 0.000 0.802 707 V HN 0.695 nan 8.190 nan 0.000 0.482 708 E N 0.809 120.947 120.200 -0.104 0.000 2.308 708 E HA 0.435 4.648 4.350 -0.228 0.000 0.275 708 E C -1.511 175.009 176.600 -0.134 0.000 0.890 708 E CA -0.635 55.705 56.400 -0.099 0.000 0.754 708 E CB 2.567 32.217 29.700 -0.084 0.000 1.207 708 E HN 0.400 nan 8.360 nan 0.000 0.426 709 K N 0.718 121.058 120.400 -0.101 0.000 2.293 709 K HA 0.568 4.751 4.320 -0.228 0.000 0.267 709 K C 0.363 176.920 176.600 -0.071 0.000 1.010 709 K CA -0.759 55.470 56.287 -0.096 0.000 0.875 709 K CB 1.770 34.229 32.500 -0.069 0.000 1.106 709 K HN 0.489 nan 8.250 nan 0.000 0.450 710 G N 2.489 111.248 108.800 -0.069 0.000 3.137 710 G HA2 0.300 4.123 3.960 -0.228 0.000 0.163 710 G HA3 0.300 4.123 3.960 -0.228 0.000 0.163 710 G C -0.696 174.187 174.900 -0.029 0.000 1.602 710 G CA -0.848 44.220 45.100 -0.054 0.000 1.067 710 G HN 0.498 nan 8.290 nan 0.000 0.568 711 R N 0.301 120.797 120.500 -0.007 0.000 2.514 711 R HA 0.358 4.561 4.340 -0.228 0.000 0.301 711 R C -0.799 175.563 176.300 0.104 0.000 0.962 711 R CA -0.408 55.715 56.100 0.039 0.000 0.882 711 R CB 2.087 32.392 30.300 0.008 0.000 1.143 711 R HN 0.588 nan 8.270 nan 0.000 0.452 712 E N 1.993 122.277 120.200 0.140 0.000 2.283 712 E HA 0.307 4.520 4.350 -0.228 0.000 0.278 712 E C -0.714 176.037 176.600 0.252 0.000 1.027 712 E CA -0.555 55.933 56.400 0.147 0.000 0.843 712 E CB 1.209 30.973 29.700 0.108 0.000 1.062 712 E HN 0.669 nan 8.360 nan 0.000 0.401 713 A N 3.207 126.118 122.820 0.151 0.000 2.540 713 A HA 0.450 4.633 4.320 -0.228 0.000 0.239 713 A C 0.417 177.900 177.584 -0.167 0.000 1.061 713 A CA 0.835 52.886 52.037 0.023 0.000 0.758 713 A CB 0.208 19.182 19.000 -0.043 0.000 0.991 713 A HN 0.716 nan 8.150 nan 0.000 0.502 714 G N 1.304 109.638 108.800 -0.777 0.000 2.749 714 G HA2 0.622 4.445 3.960 -0.228 0.000 0.300 714 G HA3 0.622 4.445 3.960 -0.228 0.000 0.300 714 G C -0.994 172.935 174.900 -1.619 0.000 1.352 714 G CA -0.300 44.301 45.100 -0.832 0.000 0.789 714 G HN 1.286 nan 8.290 nan 0.000 0.509 715 N N -1.811 116.235 118.700 -1.089 0.000 2.972 715 N HA 0.778 5.381 4.740 -0.228 0.000 0.262 715 N C -1.338 173.885 175.510 -0.478 0.000 1.478 715 N CA -0.945 51.495 53.050 -1.017 0.000 0.841 715 N CB 2.551 40.686 38.487 -0.588 0.000 1.512 715 N HN 0.789 nan 8.380 nan 0.000 0.548 716 I N -0.469 119.863 120.570 -0.397 0.000 2.741 716 I HA 0.311 4.344 4.170 -0.228 0.000 0.288 716 I C -1.857 174.168 176.117 -0.152 0.000 1.482 716 I CA -0.564 60.706 61.300 -0.049 0.000 1.050 716 I CB 1.270 39.386 38.000 0.193 0.000 1.388 716 I HN 0.649 nan 8.210 nan 0.000 0.428 717 Y N 5.338 125.675 120.300 0.061 0.000 2.342 717 Y HA 0.567 4.979 4.550 -0.231 0.000 0.334 717 Y C 0.679 176.613 175.900 0.057 0.000 1.067 717 Y CA -0.068 58.095 58.100 0.105 0.000 1.128 717 Y CB 1.938 40.481 38.460 0.138 0.000 1.200 717 Y HN 0.576 nan 8.280 nan 0.000 0.464 718 S N 3.404 119.208 115.700 0.173 0.000 2.806 718 S HA 0.875 5.208 4.470 -0.228 0.000 0.315 718 S C -0.695 173.959 174.600 0.089 0.000 1.127 718 S CA -0.864 57.406 58.200 0.117 0.000 0.918 718 S CB 1.684 64.935 63.200 0.085 0.000 1.240 718 S HN 0.648 nan 8.310 nan 0.000 0.552 719 I N -2.289 118.326 120.570 0.075 0.000 3.002 719 I HA 0.671 4.704 4.170 -0.228 0.000 0.310 719 I C -0.900 175.244 176.117 0.045 0.000 1.087 719 I CA -1.344 59.990 61.300 0.057 0.000 1.017 719 I CB 2.050 40.107 38.000 0.096 0.000 1.226 719 I HN 0.457 nan 8.210 nan 0.000 0.443 720 R N 3.101 123.618 120.500 0.029 0.000 2.471 720 R HA 0.314 4.517 4.340 -0.228 0.000 0.292 720 R C -2.251 174.060 176.300 0.019 0.000 1.192 720 R CA -1.610 54.504 56.100 0.023 0.000 1.257 720 R CB 0.727 31.038 30.300 0.019 0.000 1.130 720 R HN 0.512 nan 8.270 nan 0.000 0.558 721 P HA -0.119 nan 4.420 nan 0.000 0.218 721 P C 0.969 178.242 177.300 -0.045 0.000 1.148 721 P CA 1.362 64.468 63.100 0.011 0.000 0.822 721 P CB 0.309 32.013 31.700 0.006 0.000 0.784 722 T N -0.832 113.682 114.554 -0.068 0.000 2.904 722 T HA -0.117 4.096 4.350 -0.228 0.000 0.267 722 T C 1.749 176.370 174.700 -0.132 0.000 1.059 722 T CA 1.304 63.309 62.100 -0.158 0.000 1.137 722 T CB -0.467 68.317 68.868 -0.140 0.000 0.879 722 T HN 0.206 nan 8.240 nan 0.000 0.467 723 E N 0.404 120.602 120.200 -0.004 0.000 2.107 723 E HA -0.065 4.148 4.350 -0.228 0.000 0.191 723 E C 2.100 178.675 176.600 -0.043 0.000 0.982 723 E CA 0.813 57.260 56.400 0.078 0.000 0.809 723 E CB -0.530 29.215 29.700 0.076 0.000 0.756 723 E HN 0.447 nan 8.360 nan 0.000 0.459 724 C N 0.657 119.892 119.300 -0.108 0.000 2.429 724 C HA -0.085 4.238 4.460 -0.228 0.000 0.277 724 C C 2.563 177.430 174.990 -0.206 0.000 1.262 724 C CA 0.844 59.713 59.018 -0.247 0.000 1.733 724 C CB -0.865 26.890 27.740 0.025 0.000 2.010 724 C HN 0.535 nan 8.230 nan 0.000 0.483 725 Q N -1.031 118.708 119.800 -0.102 0.000 2.079 725 Q HA -0.215 3.988 4.340 -0.228 0.000 0.200 725 Q C 2.165 178.145 176.000 -0.034 0.000 0.974 725 Q CA 1.758 57.511 55.803 -0.083 0.000 0.840 725 Q CB -0.210 28.411 28.738 -0.195 0.000 0.898 725 Q HN 0.813 nan 8.270 nan 0.000 0.430 726 W N 0.699 121.937 121.300 -0.103 0.000 2.311 726 W HA -0.284 4.377 4.660 0.003 0.000 0.326 726 W C 2.192 178.612 176.519 -0.165 0.000 1.239 726 W CA 0.324 57.607 57.345 -0.103 0.000 1.258 726 W CB -0.406 28.999 29.460 -0.091 0.000 1.165 726 W HN 0.221 nan 8.180 nan 0.000 0.466 727 L N 1.182 122.373 121.223 -0.054 0.000 2.079 727 L HA -0.223 3.980 4.340 -0.228 0.000 0.210 727 L C 2.168 178.848 176.870 -0.317 0.000 1.081 727 L CA 2.483 57.144 54.840 -0.299 0.000 0.752 727 L CB -1.226 40.459 42.059 -0.624 0.000 0.896 727 L HN 0.010 nan 8.230 nan 0.000 0.433 728 E N -0.248 119.778 120.200 -0.290 0.000 2.058 728 E HA -0.262 3.951 4.350 -0.228 0.000 0.194 728 E C 2.058 178.780 176.600 0.204 0.000 0.997 728 E CA 2.220 58.740 56.400 0.200 0.000 0.801 728 E CB -0.365 29.615 29.700 0.467 0.000 0.746 728 E HN 0.578 nan 8.360 nan 0.000 0.450 729 M N -0.393 119.302 119.600 0.158 0.000 2.319 729 M HA 0.013 4.356 4.480 -0.228 0.000 0.265 729 M C 2.242 178.624 176.300 0.137 0.000 1.068 729 M CA 1.215 56.613 55.300 0.164 0.000 1.118 729 M CB -0.104 32.611 32.600 0.192 0.000 1.395 729 M HN 0.251 nan 8.290 nan 0.000 0.435 730 A N -0.571 122.315 122.820 0.112 0.000 1.930 730 A HA -0.171 4.012 4.320 -0.228 0.000 0.217 730 A C 2.302 179.923 177.584 0.063 0.000 1.175 730 A CA 1.365 53.438 52.037 0.059 0.000 0.627 730 A CB -1.198 17.807 19.000 0.009 0.000 0.815 730 A HN 0.579 nan 8.150 nan 0.000 0.443 731 C N -0.930 118.427 119.300 0.096 0.000 2.436 731 C HA -0.067 4.256 4.460 -0.228 0.000 0.277 731 C C 2.728 177.782 174.990 0.107 0.000 1.241 731 C CA 1.403 60.500 59.018 0.131 0.000 1.721 731 C CB -0.834 27.067 27.740 0.269 0.000 2.043 731 C HN 0.599 nan 8.230 nan 0.000 0.472 732 M N 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56.287 0.018 0.000 0.930 735 K CB -0.113 32.400 32.500 0.021 0.000 0.716 735 K HN 0.090 nan 8.250 nan 0.000 0.444 736 L N 1.398 122.634 121.223 0.022 0.000 2.217 736 L HA -0.102 4.101 4.340 -0.228 0.000 0.211 736 L C 1.642 178.520 176.870 0.014 0.000 1.107 736 L CA 1.569 56.420 54.840 0.019 0.000 0.783 736 L CB -0.264 41.810 42.059 0.025 0.000 0.919 736 L HN 0.127 nan 8.230 nan 0.000 0.442 737 E N -0.377 119.832 120.200 0.014 0.000 2.409 737 E HA -0.108 4.105 4.350 -0.228 0.000 0.198 737 E C 0.416 177.020 176.600 0.006 0.000 1.024 737 E CA 0.184 56.589 56.400 0.009 0.000 0.861 737 E CB -0.001 29.703 29.700 0.008 0.000 0.788 737 E HN 0.224 nan 8.360 nan 0.000 0.521 738 R N -0.430 120.074 120.500 0.007 0.000 3.762 738 R HA -0.128 4.075 4.340 -0.228 0.000 0.328 738 R C 0.452 176.752 176.300 0.001 0.000 1.164 738 R CA 0.224 56.326 56.100 0.003 0.000 0.861 738 R CB -1.733 28.569 30.300 0.002 0.000 1.408 738 R HN 0.190 nan 8.270 nan 0.000 0.502 739 L N -0.146 121.078 121.223 0.002 0.000 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