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 2uud_1_H DATA FIRST_RESID 1 DATA SEQUENCE EVKLVESGGG LVQPGGSLRL ScATSGFSFT DYYMAWVRQP PGKALEWLAF DATA SEQUENCE IANGYTTDYS ASVKGRFTIS RDNSQSILYL QLRAEDSATY YcARGDYYGF DATA SEQUENCE AYWGQGTLVT VSA 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.546 176.600 -0.090 0.000 1.382 1 E CA 0.000 56.363 56.400 -0.062 0.000 0.976 1 E CB 0.000 29.663 29.700 -0.062 0.000 0.812 2 V N 2.074 121.886 119.914 -0.170 0.000 2.508 2 V HA 0.404 4.524 4.120 0.001 0.000 0.281 2 V C -0.243 175.766 176.094 -0.143 0.000 1.041 2 V CA 0.236 62.411 62.300 -0.208 0.000 1.016 2 V CB 0.590 31.982 31.823 -0.719 0.000 0.984 2 V HN 0.371 nan 8.190 nan 0.000 0.478 3 K N 4.662 125.034 120.400 -0.046 0.000 2.443 3 K HA 0.744 5.065 4.320 0.001 0.000 0.252 3 K C -1.807 174.808 176.600 0.024 0.000 0.933 3 K CA -0.476 55.800 56.287 -0.019 0.000 0.792 3 K CB 1.567 34.043 32.500 -0.041 0.000 1.185 3 K HN 0.430 nan 8.250 nan 0.000 0.425 4 L N 4.065 125.319 121.223 0.052 0.000 2.404 4 L HA 0.528 4.868 4.340 0.001 0.000 0.272 4 L C -1.405 175.495 176.870 0.052 0.000 0.980 4 L CA -0.639 54.237 54.840 0.061 0.000 0.836 4 L CB 2.033 44.152 42.059 0.099 0.000 1.238 4 L HN 0.399 nan 8.230 nan 0.000 0.408 5 V N 2.695 122.619 119.914 0.017 0.000 2.540 5 V HA 0.571 4.692 4.120 0.001 0.000 0.302 5 V C -0.226 175.891 176.094 0.040 0.000 1.035 5 V CA -0.776 61.543 62.300 0.031 0.000 0.873 5 V CB 2.096 33.923 31.823 0.007 0.000 0.992 5 V HN 0.662 nan 8.190 nan 0.000 0.428 6 E N 2.109 122.358 120.200 0.082 0.000 2.239 6 E HA 0.882 5.232 4.350 0.001 0.000 0.261 6 E C -0.512 176.136 176.600 0.080 0.000 1.016 6 E CA -0.442 56.037 56.400 0.132 0.000 0.882 6 E CB 1.870 31.699 29.700 0.216 0.000 1.190 6 E HN 0.912 nan 8.360 nan 0.000 0.415 7 S N -1.246 114.501 115.700 0.080 0.000 2.678 7 S HA 0.548 5.018 4.470 0.001 0.000 0.290 7 S C 0.240 174.847 174.600 0.012 0.000 1.047 7 S CA -0.445 57.775 58.200 0.032 0.000 0.851 7 S CB 0.868 64.081 63.200 0.022 0.000 1.058 7 S HN 1.058 nan 8.310 nan 0.000 0.451 8 G N 0.232 109.019 108.800 -0.022 0.000 2.296 8 G HA2 0.212 4.173 3.960 0.001 0.000 0.188 8 G HA3 0.212 4.173 3.960 0.001 0.000 0.188 8 G C 0.660 175.499 174.900 -0.102 0.000 1.000 8 G CA 0.148 45.215 45.100 -0.055 0.000 0.672 8 G HN 1.725 nan 8.290 nan 0.000 0.483 9 G N -0.307 108.432 108.800 -0.101 0.000 2.537 9 G HA2 0.777 4.738 3.960 0.001 0.000 0.273 9 G HA3 0.777 4.738 3.960 0.001 0.000 0.273 9 G C 0.529 175.382 174.900 -0.079 0.000 1.189 9 G CA 0.656 45.680 45.100 -0.127 0.000 0.881 9 G HN 1.526 nan 8.290 nan 0.000 0.535 10 G N -1.214 107.541 108.800 -0.075 0.000 2.485 10 G HA2 0.434 4.394 3.960 0.001 0.000 0.182 10 G HA3 0.434 4.394 3.960 0.001 0.000 0.182 10 G C -1.788 173.089 174.900 -0.038 0.000 1.172 10 G CA -0.516 44.556 45.100 -0.047 0.000 0.996 10 G HN 1.060 nan 8.290 nan 0.000 0.496 11 L N 1.216 122.420 121.223 -0.032 0.000 2.276 11 L HA 0.830 5.171 4.340 0.001 0.000 0.286 11 L C -0.200 176.652 176.870 -0.030 0.000 1.024 11 L CA -0.770 54.056 54.840 -0.023 0.000 0.826 11 L CB 1.033 43.083 42.059 -0.014 0.000 1.211 11 L HN 0.594 nan 8.230 nan 0.000 0.422 12 V N 4.645 124.541 119.914 -0.031 0.000 3.046 12 V HA 0.556 4.676 4.120 0.001 0.000 0.316 12 V C -0.498 175.584 176.094 -0.020 0.000 1.104 12 V CA -0.649 61.630 62.300 -0.035 0.000 1.006 12 V CB 2.322 34.112 31.823 -0.055 0.000 1.058 12 V HN 0.756 nan 8.190 nan 0.000 0.440 13 Q N 3.759 123.547 119.800 -0.019 0.000 2.230 13 Q HA 0.414 4.754 4.340 0.001 0.000 0.248 13 Q C -2.430 173.567 176.000 -0.005 0.000 0.915 13 Q CA -1.816 53.981 55.803 -0.010 0.000 0.900 13 Q CB 1.602 30.333 28.738 -0.012 0.000 1.229 13 Q HN 0.554 nan 8.270 nan 0.000 0.439 14 P HA -0.117 nan 4.420 nan 0.000 0.266 14 P C 0.313 177.617 177.300 0.007 0.000 1.180 14 P CA 0.807 63.913 63.100 0.010 0.000 0.765 14 P CB 0.258 31.965 31.700 0.012 0.000 0.806 15 G N 0.866 109.674 108.800 0.014 0.000 2.915 15 G HA2 0.300 4.260 3.960 0.001 0.000 0.337 15 G HA3 0.300 4.260 3.960 0.001 0.000 0.337 15 G C 0.057 174.956 174.900 -0.003 0.000 1.477 15 G CA 0.306 45.412 45.100 0.010 0.000 0.916 15 G HN 1.259 nan 8.290 nan 0.000 0.550 16 G N -1.693 107.101 108.800 -0.009 0.000 2.705 16 G HA2 0.462 4.422 3.960 0.001 0.000 0.686 16 G HA3 0.462 4.422 3.960 0.001 0.000 0.686 16 G C 0.340 175.213 174.900 -0.045 0.000 1.285 16 G CA 0.673 45.757 45.100 -0.027 0.000 0.800 16 G HN 2.715 nan 8.290 nan 0.000 0.611 17 S N -0.212 115.449 115.700 -0.066 0.000 2.713 17 S HA 0.933 5.404 4.470 0.001 0.000 0.277 17 S C -0.274 174.242 174.600 -0.139 0.000 1.168 17 S CA -0.115 58.022 58.200 -0.106 0.000 0.994 17 S CB 2.177 65.317 63.200 -0.101 0.000 1.054 17 S HN 2.090 nan 8.310 nan 0.000 0.555 18 L N -0.523 120.583 121.223 -0.195 0.000 2.789 18 L HA 0.557 4.898 4.340 0.001 0.000 0.258 18 L C -1.239 175.476 176.870 -0.259 0.000 0.966 18 L CA -0.270 54.440 54.840 -0.216 0.000 0.916 18 L CB 2.175 44.079 42.059 -0.258 0.000 1.475 18 L HN 0.983 nan 8.230 nan 0.000 0.418 19 R N 2.818 123.188 120.500 -0.216 0.000 2.468 19 R HA 0.712 5.053 4.340 0.001 0.000 0.302 19 R C -1.635 174.573 176.300 -0.154 0.000 1.041 19 R CA -0.611 55.371 56.100 -0.198 0.000 0.899 19 R CB 0.818 31.029 30.300 -0.148 0.000 1.167 19 R HN 0.496 nan 8.270 nan 0.000 0.483 20 L N 2.475 123.544 121.223 -0.257 0.000 2.418 20 L HA 0.484 4.825 4.340 0.001 0.000 0.265 20 L C 0.194 177.095 176.870 0.052 0.000 1.143 20 L CA 0.306 55.010 54.840 -0.227 0.000 0.809 20 L CB 1.577 43.274 42.059 -0.604 0.000 1.124 20 L HN 0.793 nan 8.230 nan 0.000 0.456 21 S N 0.506 116.303 115.700 0.161 0.000 2.588 21 S HA 0.712 5.183 4.470 0.001 0.000 0.275 21 S C -1.077 173.634 174.600 0.186 0.000 1.130 21 S CA -0.875 57.418 58.200 0.156 0.000 0.855 21 S CB 1.701 64.959 63.200 0.096 0.000 1.116 21 S HN 0.729 nan 8.310 nan 0.000 0.472 22 c N 2.390 120.985 118.600 -0.009 0.000 2.505 22 c HA 0.834 5.404 4.570 0.001 0.000 0.342 22 c C 0.272 174.245 174.090 -0.194 0.000 1.121 22 c CA 0.101 56.397 56.329 -0.055 0.000 1.306 22 c CB -0.181 42.236 42.510 -0.156 0.000 1.897 22 c HN 1.290 nan 8.230 nan 0.000 0.446 23 A N 4.863 127.592 122.820 -0.153 0.000 2.316 23 A HA 0.743 5.064 4.320 0.001 0.000 0.284 23 A C 0.302 177.766 177.584 -0.199 0.000 1.115 23 A CA 0.022 51.932 52.037 -0.211 0.000 0.812 23 A CB 0.584 19.493 19.000 -0.152 0.000 1.064 23 A HN 0.877 nan 8.150 nan 0.000 0.489 24 T N 1.177 115.543 114.554 -0.312 0.000 2.859 24 T HA 0.638 4.988 4.350 0.001 0.000 0.281 24 T C -0.331 174.145 174.700 -0.373 0.000 1.005 24 T CA -0.211 61.678 62.100 -0.353 0.000 1.025 24 T CB 1.172 69.695 68.868 -0.575 0.000 0.977 24 T HN 0.866 nan 8.240 nan 0.000 0.458 25 S N 0.801 116.288 115.700 -0.355 0.000 2.566 25 S HA 0.566 5.037 4.470 0.001 0.000 0.273 25 S C 0.568 175.028 174.600 -0.233 0.000 1.157 25 S CA 0.410 58.449 58.200 -0.268 0.000 0.938 25 S CB 0.775 63.885 63.200 -0.150 0.000 1.087 25 S HN 1.329 nan 8.310 nan 0.000 0.474 26 G N 2.538 111.214 108.800 -0.206 0.000 2.157 26 G HA2 -0.119 3.842 3.960 0.001 0.000 0.239 26 G HA3 -0.119 3.842 3.960 0.001 0.000 0.239 26 G C -0.224 174.677 174.900 0.001 0.000 0.982 26 G CA 0.538 45.583 45.100 -0.092 0.000 0.650 26 G HN 1.861 nan 8.290 nan 0.000 0.527 27 F N -1.485 118.396 119.950 -0.114 0.000 2.665 27 F HA 0.763 5.290 4.527 0.001 0.000 0.308 27 F C -0.076 175.733 175.800 0.014 0.000 1.112 27 F CA -1.107 56.821 58.000 -0.120 0.000 0.972 27 F CB 1.164 39.915 39.000 -0.415 0.000 1.295 27 F HN 0.241 nan 8.300 nan 0.000 0.440 28 S N 3.762 119.679 115.700 0.362 0.000 3.944 28 S HA 0.020 4.490 4.470 0.001 0.000 0.215 28 S C 1.286 176.205 174.600 0.532 0.000 1.220 28 S CA -0.200 58.203 58.200 0.338 0.000 0.950 28 S CB -1.412 61.979 63.200 0.318 0.000 1.615 28 S HN 0.682 nan 8.310 nan 0.000 0.466 29 F N 3.870 123.912 119.950 0.154 0.000 2.118 29 F HA -0.277 4.251 4.527 0.001 0.000 0.297 29 F C 2.357 178.415 175.800 0.430 0.000 1.061 29 F CA 2.484 60.655 58.000 0.285 0.000 1.268 29 F CB -0.847 38.094 39.000 -0.097 0.000 1.019 29 F HN 0.543 nan 8.300 nan 0.000 0.492 30 T N -1.040 113.695 114.554 0.302 0.000 2.951 30 T HA -0.124 4.227 4.350 0.001 0.000 0.268 30 T C 0.947 175.778 174.700 0.217 0.000 1.073 30 T CA 1.398 63.640 62.100 0.237 0.000 1.134 30 T CB -0.363 68.680 68.868 0.292 0.000 0.884 30 T HN 0.196 nan 8.240 nan 0.000 0.479 31 D N 0.722 121.273 120.400 0.253 0.000 2.538 31 D HA 0.225 4.865 4.640 0.001 0.000 0.234 31 D C -1.023 175.169 176.300 -0.180 0.000 1.191 31 D CA 0.148 54.169 54.000 0.034 0.000 0.828 31 D CB -0.136 40.621 40.800 -0.071 0.000 0.981 31 D HN 0.465 nan 8.370 nan 0.000 0.490 32 Y N -0.765 119.565 120.300 0.051 0.000 2.544 32 Y HA 0.273 4.824 4.550 0.001 0.000 0.342 32 Y C -0.374 175.589 175.900 0.104 0.000 1.062 32 Y CA -1.327 56.800 58.100 0.045 0.000 1.023 32 Y CB 0.831 39.212 38.460 -0.131 0.000 1.308 32 Y HN -0.173 nan 8.280 nan 0.000 0.457 33 Y N 3.002 123.371 120.300 0.115 0.000 2.411 33 Y HA 0.364 4.914 4.550 0.001 0.000 0.333 33 Y C 0.159 175.955 175.900 -0.173 0.000 1.186 33 Y CA -0.603 57.563 58.100 0.111 0.000 1.381 33 Y CB 0.488 39.282 38.460 0.555 0.000 1.273 33 Y HN 0.342 nan 8.280 nan 0.000 0.546 34 M N 1.998 121.242 119.600 -0.593 0.000 2.591 34 M HA 0.773 5.253 4.480 0.001 0.000 0.306 34 M C -0.511 174.978 176.300 -1.352 0.000 1.190 34 M CA -0.881 54.005 55.300 -0.690 0.000 0.889 34 M CB 2.078 34.438 32.600 -0.400 0.000 1.728 34 M HN 0.663 nan 8.290 nan 0.000 0.458 35 A N 0.846 123.256 122.820 -0.683 0.000 2.567 35 A HA 0.894 5.215 4.320 0.001 0.000 0.289 35 A C -2.506 174.881 177.584 -0.329 0.000 1.177 35 A CA -0.617 51.286 52.037 -0.224 0.000 0.694 35 A CB 1.409 20.861 19.000 0.754 0.000 1.292 35 A HN 0.852 nan 8.150 nan 0.000 0.425 36 W N 0.274 121.612 121.300 0.062 0.000 2.687 36 W HA 0.555 5.216 4.660 0.001 0.000 0.328 36 W C -0.866 175.657 176.519 0.007 0.000 1.012 36 W CA -0.438 56.936 57.345 0.048 0.000 1.262 36 W CB 2.156 31.668 29.460 0.086 0.000 1.331 36 W HN 0.530 nan 8.180 nan 0.000 0.433 37 V N 3.602 123.654 119.914 0.229 0.000 2.732 37 V HA 0.610 4.731 4.120 0.001 0.000 0.310 37 V C -0.138 176.100 176.094 0.241 0.000 1.053 37 V CA -1.147 61.240 62.300 0.144 0.000 0.957 37 V CB 1.881 33.695 31.823 -0.015 0.000 1.018 37 V HN 0.487 nan 8.190 nan 0.000 0.452 38 R N 2.514 123.067 120.500 0.087 0.000 2.575 38 R HA 0.527 4.867 4.340 0.001 0.000 0.293 38 R C -1.103 175.210 176.300 0.023 0.000 0.983 38 R CA -0.574 55.465 56.100 -0.101 0.000 0.887 38 R CB 1.680 31.686 30.300 -0.490 0.000 1.184 38 R HN 0.812 nan 8.270 nan 0.000 0.445 39 Q N 6.125 125.988 119.800 0.104 0.000 2.558 39 Q HA 0.375 4.715 4.340 0.001 0.000 0.252 39 Q C -2.328 173.715 176.000 0.072 0.000 1.015 39 Q CA -2.157 53.715 55.803 0.116 0.000 0.720 39 Q CB 1.654 30.519 28.738 0.212 0.000 1.215 39 Q HN 0.394 nan 8.270 nan 0.000 0.500 40 P HA 0.042 nan 4.420 nan 0.000 0.267 40 P C -2.233 175.098 177.300 0.051 0.000 1.200 40 P CA -0.878 62.248 63.100 0.043 0.000 0.772 40 P CB 0.679 32.401 31.700 0.036 0.000 0.855 41 P HA -0.254 nan 4.420 nan 0.000 0.218 41 P C 1.583 178.906 177.300 0.039 0.000 1.150 41 P CA 2.271 65.398 63.100 0.046 0.000 0.841 41 P CB -0.401 31.324 31.700 0.042 0.000 0.784 42 G N -0.901 107.921 108.800 0.036 0.000 2.877 42 G HA2 -0.214 3.747 3.960 0.001 0.000 0.211 42 G HA3 -0.214 3.747 3.960 0.001 0.000 0.211 42 G C 1.205 176.122 174.900 0.028 0.000 1.367 42 G CA 1.556 46.674 45.100 0.030 0.000 0.807 42 G HN 0.250 nan 8.290 nan 0.000 0.666 43 K N -1.505 118.912 120.400 0.029 0.000 2.706 43 K HA 0.453 4.773 4.320 0.001 0.000 0.298 43 K C 0.711 177.327 176.600 0.026 0.000 1.742 43 K CA -0.076 56.227 56.287 0.025 0.000 1.045 43 K CB -0.274 32.238 32.500 0.020 0.000 3.091 43 K HN 0.399 nan 8.250 nan 0.000 0.917 44 A N 2.256 125.091 122.820 0.025 0.000 2.632 44 A HA 0.061 4.382 4.320 0.001 0.000 0.229 44 A C -0.068 177.538 177.584 0.038 0.000 1.047 44 A CA 0.317 52.372 52.037 0.029 0.000 0.754 44 A CB -0.307 18.715 19.000 0.037 0.000 0.969 44 A HN 0.276 nan 8.150 nan 0.000 0.509 45 L N 1.126 122.371 121.223 0.037 0.000 2.417 45 L HA 0.412 4.753 4.340 0.001 0.000 0.268 45 L C 0.714 177.644 176.870 0.100 0.000 1.158 45 L CA 0.773 55.645 54.840 0.053 0.000 0.819 45 L CB 0.955 43.032 42.059 0.030 0.000 1.112 45 L HN 0.849 nan 8.230 nan 0.000 0.458 46 E N 2.940 123.209 120.200 0.116 0.000 2.302 46 E HA 0.128 4.479 4.350 0.001 0.000 0.263 46 E C -1.561 175.157 176.600 0.196 0.000 0.897 46 E CA -0.753 55.736 56.400 0.148 0.000 0.809 46 E CB 0.592 30.338 29.700 0.077 0.000 1.270 46 E HN 0.499 nan 8.360 nan 0.000 0.410 47 W N 6.739 128.106 121.300 0.112 0.000 2.251 47 W HA 0.118 4.778 4.660 0.001 0.000 0.327 47 W C -0.679 175.936 176.519 0.160 0.000 1.361 47 W CA -0.120 57.322 57.345 0.163 0.000 1.234 47 W CB 0.636 30.244 29.460 0.247 0.000 1.212 47 W HN 0.651 nan 8.180 nan 0.000 0.557 48 L N 4.952 125.759 121.223 -0.693 0.000 2.435 48 L HA 0.516 4.857 4.340 0.001 0.000 0.195 48 L C 0.820 177.019 176.870 -1.119 0.000 1.072 48 L CA 1.015 55.459 54.840 -0.660 0.000 0.833 48 L CB -1.513 40.445 42.059 -0.168 0.000 1.081 48 L HN 0.575 nan 8.230 nan 0.000 0.485 49 A N -1.632 120.576 122.820 -1.020 0.000 2.594 49 A HA 0.586 4.906 4.320 0.001 0.000 0.296 49 A C -1.884 175.671 177.584 -0.049 0.000 1.061 49 A CA -0.313 51.306 52.037 -0.696 0.000 0.689 49 A CB 1.138 19.669 19.000 -0.781 0.000 1.280 49 A HN -0.073 nan 8.150 nan 0.000 0.406 50 F N 1.029 121.082 119.950 0.171 0.000 2.563 50 F HA 0.830 5.358 4.527 0.001 0.000 0.316 50 F C -0.607 175.269 175.800 0.127 0.000 1.076 50 F CA -0.788 57.405 58.000 0.322 0.000 0.921 50 F CB 1.807 41.180 39.000 0.622 0.000 1.209 50 F HN 0.654 nan 8.300 nan 0.000 0.462 51 I N 3.081 123.421 120.570 -0.384 0.000 3.108 51 I HA 0.661 4.832 4.170 0.001 0.000 0.312 51 I C 0.716 176.681 176.117 -0.253 0.000 1.095 51 I CA 0.179 61.369 61.300 -0.183 0.000 1.000 51 I CB 2.002 39.927 38.000 -0.126 0.000 1.229 51 I HN 0.884 nan 8.210 nan 0.000 0.454 52 A N 3.374 126.079 122.820 -0.191 0.000 4.093 52 A HA -0.369 3.952 4.320 0.001 0.000 0.240 52 A C 1.048 178.575 177.584 -0.094 0.000 0.484 52 A CA 2.696 54.674 52.037 -0.099 0.000 1.102 52 A CB -2.293 16.688 19.000 -0.030 0.000 1.259 52 A HN 0.843 nan 8.150 nan 0.000 0.632 53 N N -1.006 117.618 118.700 -0.127 0.000 2.275 53 N HA 0.442 5.183 4.740 0.001 0.000 0.236 53 N C 0.915 176.341 175.510 -0.140 0.000 1.154 53 N CA 1.281 54.268 53.050 -0.106 0.000 0.866 53 N CB 0.758 39.188 38.487 -0.096 0.000 1.093 53 N HN 1.446 nan 8.380 nan 0.000 0.515 54 G N 0.833 109.498 108.800 -0.225 0.000 2.203 54 G HA2 -0.376 3.585 3.960 0.001 0.000 0.263 54 G HA3 -0.376 3.585 3.960 0.001 0.000 0.263 54 G C -0.301 174.555 174.900 -0.074 0.000 1.012 54 G CA 0.241 45.230 45.100 -0.185 0.000 0.749 54 G HN 0.400 nan 8.290 nan 0.000 0.512 55 Y N -1.370 118.913 120.300 -0.030 0.000 3.305 55 Y HA -0.272 4.279 4.550 0.001 0.000 0.212 55 Y C 1.772 177.661 175.900 -0.019 0.000 1.248 55 Y CA 1.333 59.411 58.100 -0.036 0.000 1.359 55 Y CB -2.829 35.632 38.460 0.003 0.000 1.407 55 Y HN 1.072 nan 8.280 nan 0.000 0.572 56 T N -2.484 112.114 114.554 0.074 0.000 2.748 56 T HA 0.496 4.847 4.350 0.001 0.000 0.304 56 T C 0.594 175.357 174.700 0.104 0.000 1.041 56 T CA 0.064 62.213 62.100 0.081 0.000 1.033 56 T CB 2.207 71.099 68.868 0.040 0.000 0.995 56 T HN 0.742 nan 8.240 nan 0.000 0.536 57 T N -0.591 114.057 114.554 0.157 0.000 2.993 57 T HA 0.474 4.825 4.350 0.001 0.000 0.312 57 T C -2.157 172.719 174.700 0.292 0.000 1.115 57 T CA -0.926 61.292 62.100 0.195 0.000 1.027 57 T CB 1.835 70.829 68.868 0.210 0.000 1.116 57 T HN 0.687 nan 8.240 nan 0.000 0.464 58 D N 2.149 122.742 120.400 0.322 0.000 2.738 58 D HA 0.478 5.119 4.640 0.001 0.000 0.237 58 D C -1.283 175.265 176.300 0.413 0.000 1.123 58 D CA -0.132 54.145 54.000 0.461 0.000 0.856 58 D CB 1.934 43.018 40.800 0.474 0.000 1.552 58 D HN 0.513 nan 8.370 nan 0.000 0.480 59 Y N -0.145 120.301 120.300 0.243 0.000 2.536 59 Y HA 0.316 4.867 4.550 0.001 0.000 0.347 59 Y C 0.752 176.657 175.900 0.009 0.000 1.000 59 Y CA -0.753 57.347 58.100 -0.001 0.000 1.051 59 Y CB 1.673 40.140 38.460 0.011 0.000 1.259 59 Y HN 0.121 nan 8.280 nan 0.000 0.468 60 S N 0.323 115.980 115.700 -0.073 0.000 2.624 60 S HA 0.377 4.847 4.470 0.001 0.000 0.263 60 S C 1.054 175.703 174.600 0.082 0.000 1.287 60 S CA 0.025 58.275 58.200 0.083 0.000 0.990 60 S CB 1.047 64.231 63.200 -0.027 0.000 0.950 60 S HN 0.838 nan 8.310 nan 0.000 0.561 61 A N 1.232 124.100 122.820 0.080 0.000 2.067 61 A HA -0.009 4.311 4.320 0.001 0.000 0.217 61 A C 2.068 179.637 177.584 -0.025 0.000 1.156 61 A CA 1.158 53.216 52.037 0.036 0.000 0.683 61 A CB -0.880 18.146 19.000 0.044 0.000 0.808 61 A HN 0.832 nan 8.150 nan 0.000 0.455 62 S N -0.382 115.288 115.700 -0.051 0.000 2.584 62 S HA 0.000 4.471 4.470 0.001 0.000 0.240 62 S C 0.997 175.446 174.600 -0.251 0.000 0.975 62 S CA 1.241 59.371 58.200 -0.117 0.000 0.949 62 S CB -0.559 62.575 63.200 -0.110 0.000 0.761 62 S HN 1.276 nan 8.310 nan 0.000 0.536 63 V N -5.168 114.606 119.914 -0.233 0.000 3.544 63 V HA 0.409 4.530 4.120 0.001 0.000 0.298 63 V C 1.447 177.500 176.094 -0.069 0.000 1.580 63 V CA -0.477 61.623 62.300 -0.333 0.000 1.122 63 V CB -0.213 31.240 31.823 -0.617 0.000 0.951 63 V HN 0.055 nan 8.190 nan 0.000 0.448 64 K N 2.258 122.624 120.400 -0.057 0.000 2.071 64 K HA -0.187 4.133 4.320 0.001 0.000 0.217 64 K C 1.823 178.301 176.600 -0.203 0.000 1.054 64 K CA 2.550 58.771 56.287 -0.110 0.000 0.937 64 K CB -0.670 31.798 32.500 -0.054 0.000 0.719 64 K HN 0.699 nan 8.250 nan 0.000 0.454 65 G N -0.271 108.467 108.800 -0.103 0.000 2.673 65 G HA2 -0.050 3.910 3.960 0.001 0.000 0.208 65 G HA3 -0.050 3.910 3.960 0.001 0.000 0.208 65 G C 1.512 176.403 174.900 -0.016 0.000 1.128 65 G CA -0.213 44.838 45.100 -0.082 0.000 0.805 65 G HN 0.187 nan 8.290 nan 0.000 0.526 66 R N -0.227 120.301 120.500 0.047 0.000 2.089 66 R HA 0.092 4.433 4.340 0.001 0.000 0.222 66 R C 0.524 177.006 176.300 0.302 0.000 1.151 66 R CA 0.342 56.543 56.100 0.169 0.000 0.908 66 R CB -0.717 29.719 30.300 0.227 0.000 0.813 66 R HN 0.219 nan 8.270 nan 0.000 0.440 67 F N 1.301 121.266 119.950 0.025 0.000 2.545 67 F HA 0.096 4.624 4.527 0.001 0.000 0.348 67 F C 0.555 176.461 175.800 0.178 0.000 1.163 67 F CA 0.215 58.259 58.000 0.073 0.000 1.331 67 F CB 0.402 39.466 39.000 0.107 0.000 1.138 67 F HN -0.020 nan 8.300 nan 0.000 0.602 68 T N 3.672 118.431 114.554 0.342 0.000 3.071 68 T HA 0.406 4.756 4.350 0.001 0.000 0.311 68 T C -0.513 174.352 174.700 0.276 0.000 1.042 68 T CA -0.530 61.803 62.100 0.388 0.000 1.028 68 T CB 1.586 70.559 68.868 0.175 0.000 1.068 68 T HN 0.475 nan 8.240 nan 0.000 0.451 69 I N 2.885 123.648 120.570 0.321 0.000 2.934 69 I HA 0.761 4.932 4.170 0.001 0.000 0.315 69 I C -0.192 176.060 176.117 0.225 0.000 0.997 69 I CA 0.056 61.490 61.300 0.224 0.000 1.184 69 I CB 1.104 39.178 38.000 0.123 0.000 1.400 69 I HN 0.868 nan 8.210 nan 0.000 0.549 70 S N 4.039 119.891 115.700 0.254 0.000 2.595 70 S HA 0.632 5.102 4.470 0.001 0.000 0.270 70 S C -1.316 173.443 174.600 0.265 0.000 1.145 70 S CA -1.168 57.165 58.200 0.221 0.000 0.825 70 S CB 1.770 65.093 63.200 0.205 0.000 1.107 70 S HN 0.824 nan 8.310 nan 0.000 0.461 71 R N -0.177 120.445 120.500 0.202 0.000 2.522 71 R HA 0.612 4.953 4.340 0.001 0.000 0.283 71 R C -2.091 174.323 176.300 0.190 0.000 1.074 71 R CA -0.631 55.611 56.100 0.237 0.000 0.925 71 R CB 1.322 31.763 30.300 0.235 0.000 1.205 71 R HN 0.531 nan 8.270 nan 0.000 0.436 72 D N 2.634 123.129 120.400 0.159 0.000 2.494 72 D HA 0.121 4.762 4.640 0.001 0.000 0.217 72 D C -0.315 175.999 176.300 0.023 0.000 1.153 72 D CA -0.233 53.820 54.000 0.089 0.000 0.954 72 D CB 0.609 41.480 40.800 0.117 0.000 1.034 72 D HN 0.622 nan 8.370 nan 0.000 0.518 73 N N 0.558 119.337 118.700 0.131 0.000 2.289 73 N HA -0.134 4.607 4.740 0.001 0.000 0.184 73 N C 1.568 177.144 175.510 0.110 0.000 1.016 73 N CA 0.936 54.122 53.050 0.226 0.000 0.872 73 N CB 0.281 38.863 38.487 0.158 0.000 0.973 73 N HN 0.192 nan 8.380 nan 0.000 0.433 74 S N -0.037 115.687 115.700 0.040 0.000 2.348 74 S HA -0.018 4.452 4.470 0.001 0.000 0.219 74 S C 1.616 176.189 174.600 -0.044 0.000 1.033 74 S CA 0.735 58.943 58.200 0.012 0.000 0.974 74 S CB -0.091 63.116 63.200 0.012 0.000 0.868 74 S HN 0.260 nan 8.310 nan 0.000 0.459 75 Q N 1.051 120.804 119.800 -0.079 0.000 2.435 75 Q HA 0.227 4.568 4.340 0.001 0.000 0.207 75 Q C 0.103 175.932 176.000 -0.285 0.000 0.956 75 Q CA 0.165 55.886 55.803 -0.136 0.000 0.917 75 Q CB -0.230 28.453 28.738 -0.091 0.000 0.997 75 Q HN 0.462 nan 8.270 nan 0.000 0.497 76 S N 0.071 115.514 115.700 -0.428 0.000 3.766 76 S HA -0.184 4.286 4.470 0.001 0.000 0.416 76 S C -0.289 173.605 174.600 -1.175 0.000 0.902 76 S CA 0.210 57.830 58.200 -0.968 0.000 1.283 76 S CB -1.419 61.420 63.200 -0.602 0.000 0.891 76 S HN 0.287 nan 8.310 nan 0.000 0.556 77 I N 1.279 121.213 120.570 -1.061 0.000 2.769 77 I HA 0.628 4.798 4.170 0.001 0.000 0.298 77 I C -0.528 175.221 176.117 -0.613 0.000 1.128 77 I CA -0.594 60.238 61.300 -0.780 0.000 1.031 77 I CB 1.708 39.336 38.000 -0.620 0.000 1.235 77 I HN 0.319 nan 8.210 nan 0.000 0.423 78 L N 5.838 126.800 121.223 -0.435 0.000 2.346 78 L HA 0.577 4.918 4.340 0.001 0.000 0.276 78 L C -1.608 175.221 176.870 -0.068 0.000 1.006 78 L CA -0.474 54.311 54.840 -0.093 0.000 0.817 78 L CB 1.393 43.442 42.059 -0.016 0.000 1.272 78 L HN 0.506 nan 8.230 nan 0.000 0.421 79 Y N 4.288 124.813 120.300 0.376 0.000 2.562 79 Y HA 0.623 5.173 4.550 0.001 0.000 0.343 79 Y C -0.371 175.671 175.900 0.237 0.000 1.025 79 Y CA -0.958 57.321 58.100 0.298 0.000 1.082 79 Y CB 2.075 40.593 38.460 0.097 0.000 1.264 79 Y HN 0.435 nan 8.280 nan 0.000 0.478 80 L N 2.659 123.862 121.223 -0.035 0.000 2.518 80 L HA 0.401 4.741 4.340 0.001 0.000 0.262 80 L C -0.919 175.703 176.870 -0.413 0.000 0.982 80 L CA -0.400 54.168 54.840 -0.454 0.000 0.873 80 L CB 1.250 42.452 42.059 -1.428 0.000 1.198 80 L HN 0.700 nan 8.230 nan 0.000 0.427 81 Q N 3.824 123.479 119.800 -0.242 0.000 2.306 81 Q HA 0.753 5.093 4.340 0.001 0.000 0.241 81 Q C -1.541 174.218 176.000 -0.402 0.000 0.948 81 Q CA -0.364 55.282 55.803 -0.262 0.000 0.886 81 Q CB 1.167 29.823 28.738 -0.137 0.000 1.227 81 Q HN 0.826 nan 8.270 nan 0.000 0.457 82 L N 1.135 122.396 121.223 0.064 0.000 2.999 82 L HA 0.582 4.923 4.340 0.001 0.000 0.274 82 L C -0.719 176.199 176.870 0.080 0.000 1.044 82 L CA -0.960 53.941 54.840 0.101 0.000 0.943 82 L CB 2.003 44.089 42.059 0.043 0.000 1.522 82 L HN 0.603 nan 8.230 nan 0.000 0.400 83 R N -0.675 119.882 120.500 0.095 0.000 3.014 83 R HA 0.673 5.013 4.340 0.001 0.000 0.262 83 R C 0.275 176.618 176.300 0.071 0.000 1.066 83 R CA 0.179 56.319 56.100 0.067 0.000 0.939 83 R CB 0.547 30.880 30.300 0.055 0.000 1.372 83 R HN 0.692 nan 8.270 nan 0.000 0.431 84 A N 0.983 123.835 122.820 0.054 0.000 1.841 84 A HA -0.163 4.158 4.320 0.001 0.000 0.216 84 A C 1.269 178.892 177.584 0.065 0.000 1.199 84 A CA 2.199 54.268 52.037 0.052 0.000 0.621 84 A CB -0.709 18.314 19.000 0.037 0.000 0.835 84 A HN 0.688 nan 8.150 nan 0.000 0.445 85 E N 0.778 121.012 120.200 0.056 0.000 2.455 85 E HA -0.124 4.227 4.350 0.001 0.000 0.202 85 E C 0.907 177.561 176.600 0.090 0.000 1.045 85 E CA 1.052 57.485 56.400 0.055 0.000 0.872 85 E CB -0.178 29.540 29.700 0.029 0.000 0.792 85 E HN 0.582 nan 8.360 nan 0.000 0.542 86 D N 0.205 120.688 120.400 0.139 0.000 2.249 86 D HA 0.005 4.645 4.640 0.001 0.000 0.205 86 D C 0.112 176.594 176.300 0.304 0.000 0.962 86 D CA 0.394 54.554 54.000 0.267 0.000 0.860 86 D CB 0.015 40.998 40.800 0.305 0.000 0.955 86 D HN -0.020 nan 8.370 nan 0.000 0.505 87 S N 0.794 116.605 115.700 0.185 0.000 2.571 87 S HA 0.391 4.862 4.470 0.001 0.000 0.297 87 S C 0.262 174.968 174.600 0.177 0.000 1.234 87 S CA -0.177 58.122 58.200 0.166 0.000 1.120 87 S CB 0.511 63.769 63.200 0.096 0.000 0.923 87 S HN 0.352 nan 8.310 nan 0.000 0.504 88 A N 3.346 126.318 122.820 0.254 0.000 2.522 88 A HA 0.608 4.929 4.320 0.001 0.000 0.291 88 A C -0.539 177.167 177.584 0.204 0.000 1.039 88 A CA -1.038 51.087 52.037 0.148 0.000 0.643 88 A CB 0.529 19.529 19.000 0.001 0.000 1.310 88 A HN 0.455 nan 8.150 nan 0.000 0.436 89 T N 1.949 116.550 114.554 0.079 0.000 2.723 89 T HA 0.476 4.826 4.350 0.001 0.000 0.297 89 T C -0.979 173.692 174.700 -0.048 0.000 0.925 89 T CA 0.631 62.734 62.100 0.004 0.000 1.030 89 T CB -0.590 68.186 68.868 -0.153 0.000 0.905 89 T HN 0.312 nan 8.240 nan 0.000 0.502 90 Y N 3.005 123.269 120.300 -0.060 0.000 2.365 90 Y HA 0.386 4.937 4.550 0.001 0.000 0.340 90 Y C 0.138 176.126 175.900 0.147 0.000 1.016 90 Y CA -1.090 57.079 58.100 0.115 0.000 1.196 90 Y CB 0.199 38.703 38.460 0.073 0.000 1.167 90 Y HN 0.547 nan 8.280 nan 0.000 0.509 91 Y N 1.089 121.650 120.300 0.435 0.000 2.488 91 Y HA 0.535 5.086 4.550 0.001 0.000 0.325 91 Y C 0.083 176.133 175.900 0.251 0.000 1.204 91 Y CA -1.411 56.911 58.100 0.371 0.000 1.229 91 Y CB 1.036 39.750 38.460 0.424 0.000 1.274 91 Y HN 0.555 nan 8.280 nan 0.000 0.493 92 c N 1.804 120.515 118.600 0.184 0.000 2.417 92 c HA 0.953 5.523 4.570 0.001 0.000 0.324 92 c C -0.404 173.540 174.090 -0.244 0.000 1.240 92 c CA -0.304 55.849 56.329 -0.294 0.000 1.632 92 c CB -0.777 41.554 42.510 -0.298 0.000 2.241 92 c HN 0.881 nan 8.230 nan 0.000 0.499 93 A N 5.630 128.228 122.820 -0.369 0.000 2.475 93 A HA 0.903 5.224 4.320 0.001 0.000 0.301 93 A C -1.005 176.509 177.584 -0.115 0.000 1.059 93 A CA -0.593 51.244 52.037 -0.333 0.000 0.710 93 A CB 1.310 19.985 19.000 -0.541 0.000 1.288 93 A HN 0.913 nan 8.150 nan 0.000 0.408 94 R N 1.563 122.041 120.500 -0.037 0.000 2.502 94 R HA 0.499 4.840 4.340 0.001 0.000 0.300 94 R C 0.335 176.679 176.300 0.073 0.000 0.984 94 R CA -0.083 56.004 56.100 -0.022 0.000 0.882 94 R CB 1.484 31.635 30.300 -0.249 0.000 1.180 94 R HN 1.155 nan 8.270 nan 0.000 0.444 95 G N 2.033 110.951 108.800 0.196 0.000 2.720 95 G HA2 -0.111 3.850 3.960 0.001 0.000 0.237 95 G HA3 -0.111 3.850 3.960 0.001 0.000 0.237 95 G C -0.414 174.530 174.900 0.073 0.000 1.239 95 G CA -0.071 45.092 45.100 0.105 0.000 0.847 95 G HN 0.679 nan 8.290 nan 0.000 0.593 96 D N -1.182 119.213 120.400 -0.009 0.000 2.228 96 D HA 0.242 4.883 4.640 0.001 0.000 0.247 96 D C 1.250 177.604 176.300 0.091 0.000 0.995 96 D CA -0.792 53.239 54.000 0.052 0.000 0.903 96 D CB 0.781 41.583 40.800 0.003 0.000 1.205 96 D HN 0.365 nan 8.370 nan 0.000 0.459 97 Y N 1.691 121.909 120.300 -0.136 0.000 2.639 97 Y HA -0.012 4.538 4.550 0.001 0.000 0.289 97 Y C -0.708 175.204 175.900 0.019 0.000 1.155 97 Y CA 0.486 58.480 58.100 -0.177 0.000 1.379 97 Y CB -1.135 37.175 38.460 -0.251 0.000 0.967 97 Y HN 0.181 nan 8.280 nan 0.000 0.569 98 Y N -0.341 119.893 120.300 -0.110 0.000 2.805 98 Y HA 0.658 5.209 4.550 0.001 0.000 0.321 98 Y C 1.187 176.953 175.900 -0.223 0.000 1.203 98 Y CA -2.271 55.657 58.100 -0.287 0.000 1.165 98 Y CB 0.010 38.287 38.460 -0.304 0.000 1.371 98 Y HN -0.115 nan 8.280 nan 0.000 0.564 99 G N 1.226 110.000 108.800 -0.044 0.000 2.576 99 G HA2 0.101 4.062 3.960 0.001 0.000 0.291 99 G HA3 0.101 4.062 3.960 0.001 0.000 0.291 99 G C -0.536 174.280 174.900 -0.139 0.000 0.782 99 G CA -0.290 44.731 45.100 -0.132 0.000 1.886 99 G HN 0.379 nan 8.290 nan 0.000 0.493 100 F N 0.454 120.365 119.950 -0.064 0.000 2.193 100 F HA -0.243 4.284 4.527 0.001 0.000 0.126 100 F C 1.783 177.565 175.800 -0.030 0.000 1.097 100 F CA 0.092 57.991 58.000 -0.168 0.000 0.723 100 F CB -1.405 37.422 39.000 -0.288 0.000 0.565 100 F HN 0.540 nan 8.300 nan 0.000 0.782 101 A N -0.154 122.672 122.820 0.010 0.000 2.014 101 A HA 0.025 4.345 4.320 0.001 0.000 0.218 101 A C 0.223 177.599 177.584 -0.346 0.000 1.163 101 A CA 0.911 52.841 52.037 -0.178 0.000 0.652 101 A CB -0.100 18.710 19.000 -0.315 0.000 0.808 101 A HN 0.432 nan 8.150 nan 0.000 0.449 102 Y N -1.850 118.506 120.300 0.094 0.000 2.322 102 Y HA 0.452 5.003 4.550 0.001 0.000 0.324 102 Y C -0.949 175.011 175.900 0.100 0.000 1.027 102 Y CA -1.357 56.821 58.100 0.130 0.000 1.179 102 Y CB 0.709 39.174 38.460 0.009 0.000 1.136 102 Y HN 0.287 nan 8.280 nan 0.000 0.449 103 W N 1.556 122.974 121.300 0.197 0.000 2.436 103 W HA 0.701 5.361 4.660 0.001 0.000 0.347 103 W C 0.728 177.353 176.519 0.176 0.000 1.136 103 W CA -0.754 56.683 57.345 0.154 0.000 1.286 103 W CB 0.905 30.414 29.460 0.082 0.000 1.253 103 W HN 0.649 nan 8.180 nan 0.000 0.617 104 G N 0.622 109.666 108.800 0.408 0.000 2.543 104 G HA2 0.224 4.184 3.960 0.001 0.000 0.290 104 G HA3 0.224 4.184 3.960 0.001 0.000 0.290 104 G C 0.567 175.670 174.900 0.339 0.000 1.310 104 G CA -0.387 44.886 45.100 0.288 0.000 1.025 104 G HN 0.481 nan 8.290 nan 0.000 0.502 105 Q N -0.407 119.522 119.800 0.214 0.000 2.378 105 Q HA 0.225 4.566 4.340 0.001 0.000 0.205 105 Q C 0.880 176.950 176.000 0.118 0.000 0.954 105 Q CA 1.067 56.976 55.803 0.176 0.000 0.901 105 Q CB -0.541 28.259 28.738 0.103 0.000 0.981 105 Q HN 1.874 nan 8.270 nan 0.000 0.483 106 G N 0.356 109.198 108.800 0.071 0.000 2.722 106 G HA2 -0.167 3.794 3.960 0.001 0.000 0.686 106 G HA3 -0.167 3.794 3.960 0.001 0.000 0.686 106 G C -1.014 173.827 174.900 -0.098 0.000 1.282 106 G CA -0.057 44.924 45.100 -0.199 0.000 0.817 106 G HN 0.409 nan 8.290 nan 0.000 0.605 107 T N 1.470 115.992 114.554 -0.054 0.000 2.848 107 T HA 0.621 4.971 4.350 0.001 0.000 0.285 107 T C 0.205 174.914 174.700 0.014 0.000 0.995 107 T CA -0.360 61.738 62.100 -0.002 0.000 0.970 107 T CB 1.083 69.970 68.868 0.032 0.000 0.976 107 T HN 1.200 nan 8.240 nan 0.000 0.441 108 L N 5.661 126.888 121.223 0.007 0.000 2.350 108 L HA 0.813 5.154 4.340 0.001 0.000 0.275 108 L C -1.110 175.779 176.870 0.032 0.000 1.099 108 L CA -0.438 54.426 54.840 0.040 0.000 0.808 108 L CB 0.909 42.982 42.059 0.023 0.000 1.149 108 L HN 0.448 nan 8.230 nan 0.000 0.442 109 V N 2.926 122.886 119.914 0.077 0.000 2.709 109 V HA 0.504 4.624 4.120 0.001 0.000 0.308 109 V C -0.512 175.618 176.094 0.061 0.000 1.062 109 V CA -0.479 61.834 62.300 0.022 0.000 0.901 109 V CB 2.267 34.052 31.823 -0.062 0.000 1.003 109 V HN 0.838 nan 8.190 nan 0.000 0.425 110 T N 3.464 118.033 114.554 0.026 0.000 2.890 110 T HA 0.562 4.913 4.350 0.001 0.000 0.295 110 T C -0.736 173.977 174.700 0.022 0.000 0.993 110 T CA -0.417 61.703 62.100 0.034 0.000 0.979 110 T CB 1.391 70.273 68.868 0.022 0.000 0.967 110 T HN 0.382 nan 8.240 nan 0.000 0.441 111 V N 2.480 122.415 119.914 0.036 0.000 2.357 111 V HA 0.766 4.887 4.120 0.001 0.000 0.281 111 V C 0.386 176.497 176.094 0.029 0.000 1.015 111 V CA -0.617 61.700 62.300 0.027 0.000 0.827 111 V CB 1.170 33.016 31.823 0.037 0.000 1.018 111 V HN 0.957 nan 8.190 nan 0.000 0.432 112 S N 2.196 117.908 115.700 0.019 0.000 4.380 112 S HA 0.436 4.906 4.470 0.001 0.000 0.063 112 S C -0.209 174.399 174.600 0.013 0.000 0.860 112 S CA 0.398 58.609 58.200 0.019 0.000 0.858 112 S CB -0.353 62.861 63.200 0.024 0.000 0.720 112 S HN 1.258 nan 8.310 nan 0.000 0.769 113 A N 0.000 122.825 122.820 0.008 0.000 2.254 113 A HA 0.000 4.321 4.320 0.001 0.000 0.244 113 A CA 0.000 52.040 52.037 0.006 0.000 0.836 113 A CB 0.000 19.002 19.000 0.003 0.000 0.831 113 A HN 0.000 nan 8.150 nan 0.000 0.486