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 2ja5_1_K DATA FIRST_RESID 1 DATA SEQUENCE MNAPDRFELF LLGEGESKLK IDPDTKAPNA VVITFEKEDH TLGNLIRAEL DATA SEQUENCE LNDRKVLFAA YKVEHPFFAR FKLRIQTTEG YDPKDALKNA CNSIINKLGA DATA SEQUENCE LKTNFETEWN LQTL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.282 176.300 -0.030 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 2 N N 1.799 120.480 118.700 -0.031 0.000 2.446 2 N HA 0.214 4.954 4.740 0.000 0.000 0.179 2 N C 0.335 175.809 175.510 -0.061 0.000 1.054 2 N CA 0.853 53.882 53.050 -0.035 0.000 0.905 2 N CB 0.054 38.529 38.487 -0.020 0.000 0.973 2 N HN 0.500 nan 8.380 nan 0.000 0.448 3 A N 3.697 126.474 122.820 -0.072 0.000 2.591 3 A HA 0.036 4.356 4.320 0.000 0.000 0.244 3 A C -1.403 176.116 177.584 -0.108 0.000 1.031 3 A CA -0.552 51.427 52.037 -0.097 0.000 0.767 3 A CB -0.310 18.641 19.000 -0.081 0.000 0.942 3 A HN 0.156 nan 8.150 nan 0.000 0.514 4 P HA 0.152 nan 4.420 nan 0.000 0.275 4 P C -0.749 176.417 177.300 -0.223 0.000 1.270 4 P CA -0.424 62.580 63.100 -0.159 0.000 0.791 4 P CB 0.547 32.161 31.700 -0.144 0.000 1.089 5 D N 0.947 121.130 120.400 -0.363 0.000 2.347 5 D HA 0.080 4.720 4.640 0.000 0.000 0.235 5 D C 1.568 177.465 176.300 -0.673 0.000 1.149 5 D CA -0.323 53.306 54.000 -0.618 0.000 0.850 5 D CB 0.787 40.941 40.800 -1.078 0.000 1.061 5 D HN 0.169 nan 8.370 nan 0.000 0.487 6 R N 2.287 122.573 120.500 -0.357 0.000 2.227 6 R HA -0.245 4.095 4.340 0.000 0.000 0.246 6 R C 1.964 178.235 176.300 -0.050 0.000 1.119 6 R CA 1.499 57.529 56.100 -0.116 0.000 0.930 6 R CB -1.251 29.073 30.300 0.041 0.000 0.912 6 R HN 0.630 nan 8.270 nan 0.000 0.435 7 F N 1.197 121.165 119.950 0.031 0.000 2.552 7 F HA -0.072 4.455 4.527 0.000 0.000 0.292 7 F C 1.083 176.605 175.800 -0.463 0.000 1.137 7 F CA 0.630 58.448 58.000 -0.302 0.000 1.496 7 F CB -0.857 37.948 39.000 -0.324 0.000 1.117 7 F HN 0.120 nan 8.300 nan 0.000 0.617 8 E N 0.521 120.598 120.200 -0.205 0.000 2.489 8 E HA 0.096 4.446 4.350 0.000 0.000 0.193 8 E C 1.702 178.309 176.600 0.012 0.000 1.057 8 E CA 0.006 56.346 56.400 -0.100 0.000 0.866 8 E CB -0.089 29.504 29.700 -0.177 0.000 0.916 8 E HN 0.578 nan 8.360 nan 0.000 0.500 9 L N -0.302 121.019 121.223 0.163 0.000 2.558 9 L HA 0.104 4.445 4.340 0.000 0.000 0.225 9 L C 1.312 178.493 176.870 0.517 0.000 1.128 9 L CA 0.546 55.601 54.840 0.358 0.000 0.868 9 L CB -0.087 42.226 42.059 0.424 0.000 1.006 9 L HN 0.239 nan 8.230 nan 0.000 0.454 10 F N -4.112 115.899 119.950 0.101 0.000 2.959 10 F HA 0.303 4.830 4.527 0.000 0.000 0.393 10 F C 0.250 176.098 175.800 0.080 0.000 0.957 10 F CA -0.665 57.388 58.000 0.089 0.000 1.049 10 F CB 0.380 39.429 39.000 0.082 0.000 1.189 10 F HN -0.342 nan 8.300 nan 0.000 0.563 11 L N 4.406 125.441 121.223 -0.312 0.000 2.261 11 L HA 0.404 4.744 4.340 0.000 0.000 0.289 11 L C -0.096 176.728 176.870 -0.077 0.000 1.059 11 L CA -0.450 54.272 54.840 -0.197 0.000 0.816 11 L CB 0.902 42.783 42.059 -0.297 0.000 1.191 11 L HN 0.143 nan 8.230 nan 0.000 0.431 12 L N 2.844 124.044 121.223 -0.038 0.000 2.492 12 L HA 0.312 4.652 4.340 0.000 0.000 0.280 12 L C 1.188 178.035 176.870 -0.038 0.000 1.240 12 L CA 0.580 55.403 54.840 -0.029 0.000 0.831 12 L CB 0.021 42.066 42.059 -0.023 0.000 1.100 12 L HN 0.651 nan 8.230 nan 0.000 0.505 13 G N -0.535 108.245 108.800 -0.034 0.000 2.938 13 G HA2 0.370 4.330 3.960 0.000 0.000 0.258 13 G HA3 0.370 4.330 3.960 0.000 0.000 0.258 13 G C -0.822 174.057 174.900 -0.035 0.000 1.356 13 G CA -0.708 44.373 45.100 -0.031 0.000 1.052 13 G HN 0.566 nan 8.290 nan 0.000 0.550 14 E N 0.220 120.401 120.200 -0.032 0.000 2.729 14 E HA 0.299 4.649 4.350 0.000 0.000 0.246 14 E C 0.825 177.405 176.600 -0.033 0.000 0.984 14 E CA 1.015 57.396 56.400 -0.031 0.000 0.951 14 E CB -0.117 29.566 29.700 -0.028 0.000 0.914 14 E HN 1.009 nan 8.360 nan 0.000 0.509 15 G N 4.136 112.917 108.800 -0.032 0.000 2.402 15 G HA2 -0.281 3.679 3.960 0.000 0.000 0.206 15 G HA3 -0.281 3.679 3.960 0.000 0.000 0.206 15 G C -0.438 174.440 174.900 -0.037 0.000 0.637 15 G CA 0.369 45.450 45.100 -0.033 0.000 0.974 15 G HN 0.594 nan 8.290 nan 0.000 0.308 16 E N 0.495 120.671 120.200 -0.039 0.000 2.552 16 E HA 0.379 4.729 4.350 0.000 0.000 0.297 16 E C -0.719 175.853 176.600 -0.047 0.000 1.038 16 E CA -0.677 55.696 56.400 -0.044 0.000 0.856 16 E CB 1.417 31.091 29.700 -0.044 0.000 1.222 16 E HN 0.406 nan 8.360 nan 0.000 0.422 17 S N 1.517 117.182 115.700 -0.059 0.000 2.621 17 S HA 0.274 4.744 4.470 0.000 0.000 0.302 17 S C 0.848 175.397 174.600 -0.086 0.000 1.093 17 S CA -0.832 57.328 58.200 -0.067 0.000 1.017 17 S CB 1.512 64.666 63.200 -0.076 0.000 1.077 17 S HN 0.373 nan 8.310 nan 0.000 0.517 18 K N 0.583 120.932 120.400 -0.084 0.000 2.097 18 K HA 0.082 4.402 4.320 0.000 0.000 0.206 18 K C 0.209 176.675 176.600 -0.223 0.000 1.049 18 K CA 1.153 57.381 56.287 -0.099 0.000 0.933 18 K CB -0.226 32.239 32.500 -0.059 0.000 0.717 18 K HN 0.488 nan 8.250 nan 0.000 0.442 19 L N 0.422 121.501 121.223 -0.239 0.000 2.354 19 L HA 0.391 4.731 4.340 0.000 0.000 0.269 19 L C -0.289 176.448 176.870 -0.222 0.000 1.005 19 L CA -0.718 53.916 54.840 -0.343 0.000 0.819 19 L CB 2.071 43.902 42.059 -0.380 0.000 1.311 19 L HN -0.190 nan 8.230 nan 0.000 0.423 20 K N 3.689 123.955 120.400 -0.223 0.000 2.652 20 K HA 0.493 4.813 4.320 0.000 0.000 0.249 20 K C -1.585 174.943 176.600 -0.120 0.000 0.986 20 K CA -0.393 55.814 56.287 -0.134 0.000 0.867 20 K CB 1.533 33.972 32.500 -0.101 0.000 1.201 20 K HN 0.536 nan 8.250 nan 0.000 0.450 21 I N 4.149 124.664 120.570 -0.092 0.000 2.306 21 I HA 0.190 4.360 4.170 0.000 0.000 0.288 21 I C -0.553 175.545 176.117 -0.032 0.000 1.036 21 I CA -0.567 60.696 61.300 -0.062 0.000 1.221 21 I CB 1.124 39.087 38.000 -0.061 0.000 1.385 21 I HN 0.426 nan 8.210 nan 0.000 0.472 22 D N 8.835 129.226 120.400 -0.014 0.000 2.193 22 D HA 0.302 4.942 4.640 0.000 0.000 0.244 22 D C -2.332 173.973 176.300 0.009 0.000 1.064 22 D CA -1.260 52.739 54.000 -0.002 0.000 0.845 22 D CB 1.894 42.696 40.800 0.004 0.000 1.148 22 D HN 0.239 nan 8.370 nan 0.000 0.464 23 P HA 0.049 nan 4.420 nan 0.000 0.276 23 P C -0.283 177.027 177.300 0.018 0.000 1.264 23 P CA -0.325 62.782 63.100 0.012 0.000 0.769 23 P CB 1.047 32.751 31.700 0.006 0.000 0.840 24 D N 3.114 123.530 120.400 0.028 0.000 2.390 24 D HA 0.040 4.680 4.640 0.000 0.000 0.249 24 D C 0.865 177.177 176.300 0.019 0.000 1.144 24 D CA 0.161 54.179 54.000 0.030 0.000 0.880 24 D CB 1.043 41.871 40.800 0.046 0.000 1.182 24 D HN 0.283 nan 8.370 nan 0.000 0.451 25 T N 1.463 116.025 114.554 0.013 0.000 3.037 25 T HA 0.011 4.361 4.350 0.000 0.000 0.252 25 T C 1.616 176.318 174.700 0.003 0.000 1.073 25 T CA -0.126 61.978 62.100 0.007 0.000 1.091 25 T CB 0.286 69.157 68.868 0.005 0.000 0.935 25 T HN 0.318 nan 8.240 nan 0.000 0.488 26 K N 2.116 122.517 120.400 0.001 0.000 2.228 26 K HA 0.099 4.419 4.320 0.000 0.000 0.205 26 K C 0.871 177.462 176.600 -0.015 0.000 1.045 26 K CA 0.971 57.253 56.287 -0.009 0.000 0.931 26 K CB -0.312 32.180 32.500 -0.014 0.000 0.727 26 K HN 0.582 nan 8.250 nan 0.000 0.458 27 A N 1.310 124.125 122.820 -0.009 0.000 2.566 27 A HA 0.400 4.721 4.320 0.000 0.000 0.297 27 A C -2.739 174.847 177.584 0.003 0.000 1.059 27 A CA -1.381 50.650 52.037 -0.010 0.000 0.691 27 A CB 1.331 20.314 19.000 -0.027 0.000 1.282 27 A HN -0.149 nan 8.150 nan 0.000 0.401 28 P HA 0.013 nan 4.420 nan 0.000 0.265 28 P C -0.087 177.223 177.300 0.016 0.000 1.187 28 P CA 0.259 63.366 63.100 0.011 0.000 0.766 28 P CB 0.345 32.051 31.700 0.010 0.000 0.820 29 N N 0.565 119.274 118.700 0.016 0.000 2.556 29 N HA -0.166 4.574 4.740 0.000 0.000 0.288 29 N C -1.151 174.372 175.510 0.022 0.000 1.226 29 N CA 1.296 54.355 53.050 0.015 0.000 0.719 29 N CB -1.102 37.395 38.487 0.017 0.000 0.923 29 N HN 0.767 nan 8.380 nan 0.000 0.544 30 A N 0.952 123.788 122.820 0.026 0.000 2.599 30 A HA 0.707 5.027 4.320 0.000 0.000 0.294 30 A C -0.974 176.639 177.584 0.048 0.000 1.055 30 A CA -0.354 51.714 52.037 0.052 0.000 0.683 30 A CB 1.732 20.777 19.000 0.076 0.000 1.278 30 A HN 0.261 nan 8.150 nan 0.000 0.412 31 V N -0.185 119.768 119.914 0.065 0.000 3.160 31 V HA 0.775 4.895 4.120 0.000 0.000 0.310 31 V C -0.834 175.314 176.094 0.090 0.000 1.181 31 V CA -0.699 61.636 62.300 0.058 0.000 1.047 31 V CB 2.261 34.104 31.823 0.033 0.000 1.068 31 V HN 1.000 nan 8.190 nan 0.000 0.441 32 V N 2.738 122.698 119.914 0.076 0.000 2.447 32 V HA 0.518 4.638 4.120 0.000 0.000 0.292 32 V C -0.674 175.465 176.094 0.074 0.000 1.021 32 V CA -0.185 62.174 62.300 0.099 0.000 0.850 32 V CB 1.404 33.279 31.823 0.085 0.000 1.005 32 V HN 0.641 nan 8.190 nan 0.000 0.426 33 I N 3.384 124.024 120.570 0.118 0.000 2.339 33 I HA 0.349 4.520 4.170 0.000 0.000 0.290 33 I C 0.333 176.488 176.117 0.063 0.000 0.994 33 I CA -0.100 61.221 61.300 0.035 0.000 1.191 33 I CB 1.906 39.921 38.000 0.025 0.000 1.343 33 I HN 0.463 nan 8.210 nan 0.000 0.458 34 T N 6.930 121.437 114.554 -0.078 0.000 2.794 34 T HA 0.366 4.716 4.350 0.000 0.000 0.304 34 T C -0.257 174.301 174.700 -0.237 0.000 0.973 34 T CA -0.216 61.839 62.100 -0.074 0.000 0.972 34 T CB -0.314 68.523 68.868 -0.051 0.000 0.952 34 T HN 0.083 nan 8.240 nan 0.000 0.509 35 F N 3.078 122.729 119.950 -0.499 0.000 2.438 35 F HA 0.303 4.830 4.527 0.000 0.000 0.356 35 F C 1.159 176.719 175.800 -0.400 0.000 1.099 35 F CA -0.728 56.931 58.000 -0.570 0.000 1.185 35 F CB 0.588 38.873 39.000 -1.192 0.000 1.115 35 F HN 0.317 nan 8.300 nan 0.000 0.526 36 E N 2.972 123.117 120.200 -0.091 0.000 2.248 36 E HA 0.197 4.547 4.350 0.000 0.000 0.272 36 E C -0.061 176.556 176.600 0.029 0.000 1.008 36 E CA -0.689 55.691 56.400 -0.034 0.000 0.856 36 E CB 1.027 30.701 29.700 -0.044 0.000 1.120 36 E HN 0.295 nan 8.360 nan 0.000 0.397 37 K N 1.537 121.972 120.400 0.059 0.000 3.490 37 K HA -0.204 4.116 4.320 0.000 0.000 0.273 37 K C -0.116 176.579 176.600 0.159 0.000 0.916 37 K CA 0.946 57.302 56.287 0.114 0.000 0.718 37 K CB -1.073 31.487 32.500 0.100 0.000 1.477 37 K HN 0.456 nan 8.250 nan 0.000 0.452 38 E N 0.045 120.347 120.200 0.171 0.000 2.435 38 E HA 0.510 4.860 4.350 0.000 0.000 0.272 38 E C -0.167 176.624 176.600 0.317 0.000 1.031 38 E CA -0.407 56.141 56.400 0.248 0.000 0.872 38 E CB 1.835 31.695 29.700 0.267 0.000 1.588 38 E HN 0.307 nan 8.360 nan 0.000 0.460 39 D N -1.841 118.798 120.400 0.399 0.000 3.213 39 D HA 0.080 4.720 4.640 0.000 0.000 0.357 39 D C 0.891 177.210 176.300 0.032 0.000 1.446 39 D CA -0.354 53.781 54.000 0.224 0.000 0.893 39 D CB -0.053 40.826 40.800 0.132 0.000 1.466 39 D HN 0.348 nan 8.370 nan 0.000 0.541 40 H N 0.284 119.368 119.070 0.024 0.000 2.268 40 H HA -0.164 4.393 4.556 0.000 0.000 0.288 40 H C 1.596 176.904 175.328 -0.033 0.000 1.088 40 H CA 2.854 58.909 56.048 0.012 0.000 1.182 40 H CB -0.966 28.812 29.762 0.027 0.000 1.348 40 H HN 0.530 nan 8.280 nan 0.000 0.499 41 T N 1.091 115.730 114.554 0.141 0.000 2.634 41 T HA -0.257 4.093 4.350 0.000 0.000 0.256 41 T C 2.097 176.801 174.700 0.006 0.000 1.131 41 T CA 2.204 64.338 62.100 0.056 0.000 1.149 41 T CB -0.601 68.304 68.868 0.061 0.000 0.849 41 T HN 0.257 nan 8.240 nan 0.000 0.457 42 L N -0.362 120.876 121.223 0.025 0.000 2.616 42 L HA 0.387 4.727 4.340 0.000 0.000 0.229 42 L C 2.143 178.917 176.870 -0.160 0.000 1.110 42 L CA 0.516 55.355 54.840 -0.001 0.000 0.884 42 L CB -0.077 42.052 42.059 0.116 0.000 1.115 42 L HN 0.314 nan 8.230 nan 0.000 0.481 43 G N -0.351 108.213 108.800 -0.393 0.000 2.437 43 G HA2 -0.223 3.737 3.960 0.000 0.000 0.212 43 G HA3 -0.223 3.737 3.960 0.000 0.000 0.212 43 G C 1.260 175.617 174.900 -0.906 0.000 1.174 43 G CA 0.511 45.038 45.100 -0.956 0.000 0.811 43 G HN 0.353 nan 8.290 nan 0.000 0.537 44 N N 0.332 118.596 118.700 -0.726 0.000 2.104 44 N HA -0.088 4.652 4.740 0.000 0.000 0.190 44 N C 2.113 177.334 175.510 -0.480 0.000 1.024 44 N CA 0.965 53.551 53.050 -0.773 0.000 0.853 44 N CB -0.360 37.935 38.487 -0.320 0.000 1.008 44 N HN 0.193 nan 8.380 nan 0.000 0.424 45 L N 1.058 122.098 121.223 -0.305 0.000 1.970 45 L HA 0.005 4.345 4.340 0.000 0.000 0.212 45 L C 1.892 178.647 176.870 -0.192 0.000 1.071 45 L CA 1.566 56.288 54.840 -0.196 0.000 0.751 45 L CB -0.712 41.273 42.059 -0.123 0.000 0.889 45 L HN 0.261 nan 8.230 nan 0.000 0.432 46 I N -0.729 119.719 120.570 -0.204 0.000 3.010 46 I HA -0.183 3.987 4.170 0.000 0.000 0.271 46 I C 2.338 178.343 176.117 -0.186 0.000 1.293 46 I CA 0.371 61.586 61.300 -0.141 0.000 1.452 46 I CB -0.478 37.459 38.000 -0.104 0.000 1.082 46 I HN 0.333 nan 8.210 nan 0.000 0.484 47 R N 1.255 121.566 120.500 -0.315 0.000 2.103 47 R HA 0.140 4.480 4.340 0.000 0.000 0.212 47 R C 2.231 178.383 176.300 -0.247 0.000 1.107 47 R CA 1.318 57.216 56.100 -0.337 0.000 1.025 47 R CB -0.295 29.646 30.300 -0.599 0.000 0.929 47 R HN 0.252 nan 8.270 nan 0.000 0.456 48 A N 1.550 124.230 122.820 -0.233 0.000 1.841 48 A HA -0.103 4.217 4.320 0.000 0.000 0.214 48 A C 1.947 179.465 177.584 -0.111 0.000 1.195 48 A CA 1.245 53.187 52.037 -0.159 0.000 0.611 48 A CB -0.502 18.412 19.000 -0.143 0.000 0.835 48 A HN 0.255 nan 8.150 nan 0.000 0.443 49 E N -0.237 119.905 120.200 -0.097 0.000 2.209 49 E HA -0.151 4.199 4.350 0.000 0.000 0.196 49 E C 1.854 178.426 176.600 -0.046 0.000 0.993 49 E CA 0.667 57.032 56.400 -0.059 0.000 0.819 49 E CB -0.313 29.359 29.700 -0.046 0.000 0.745 49 E HN 0.629 nan 8.360 nan 0.000 0.477 50 L N 0.305 121.488 121.223 -0.066 0.000 2.376 50 L HA -0.104 4.236 4.340 0.000 0.000 0.219 50 L C 1.887 178.723 176.870 -0.056 0.000 1.133 50 L CA 0.210 55.020 54.840 -0.051 0.000 0.816 50 L CB 0.082 42.099 42.059 -0.069 0.000 0.933 50 L HN 0.104 nan 8.230 nan 0.000 0.449 51 L N -0.398 120.781 121.223 -0.073 0.000 2.591 51 L HA 0.037 4.378 4.340 0.000 0.000 0.228 51 L C 1.706 178.559 176.870 -0.028 0.000 1.133 51 L CA 0.850 55.652 54.840 -0.063 0.000 0.880 51 L CB -0.605 41.403 42.059 -0.086 0.000 1.033 51 L HN 0.202 nan 8.230 nan 0.000 0.450 52 N N -0.651 118.039 118.700 -0.017 0.000 2.197 52 N HA -0.087 4.653 4.740 0.000 0.000 0.184 52 N C 0.385 175.906 175.510 0.020 0.000 1.030 52 N CA 0.428 53.477 53.050 -0.001 0.000 0.851 52 N CB -0.376 38.109 38.487 -0.004 0.000 1.003 52 N HN 0.210 nan 8.380 nan 0.000 0.430 53 D N 2.408 122.829 120.400 0.035 0.000 2.659 53 D HA -0.120 4.520 4.640 0.000 0.000 0.275 53 D C 0.822 177.169 176.300 0.078 0.000 1.407 53 D CA 0.109 54.153 54.000 0.074 0.000 1.033 53 D CB 0.304 41.175 40.800 0.119 0.000 1.139 53 D HN 0.017 nan 8.370 nan 0.000 0.565 54 R N 3.244 123.780 120.500 0.060 0.000 2.211 54 R HA -0.149 4.191 4.340 0.000 0.000 0.240 54 R C 1.574 177.926 176.300 0.087 0.000 1.144 54 R CA 0.642 56.776 56.100 0.056 0.000 0.992 54 R CB -0.042 30.281 30.300 0.037 0.000 0.869 54 R HN 0.456 nan 8.270 nan 0.000 0.462 55 K N 0.437 120.920 120.400 0.138 0.000 2.365 55 K HA 0.046 4.367 4.320 0.000 0.000 0.199 55 K C 0.436 177.160 176.600 0.206 0.000 1.045 55 K CA 0.255 56.679 56.287 0.228 0.000 0.962 55 K CB 0.174 32.933 32.500 0.432 0.000 0.759 55 K HN -0.037 nan 8.250 nan 0.000 0.469 56 V N 3.025 123.020 119.914 0.135 0.000 2.389 56 V HA 0.046 4.166 4.120 0.000 0.000 0.264 56 V C 1.616 177.752 176.094 0.070 0.000 1.049 56 V CA 0.030 62.369 62.300 0.064 0.000 0.932 56 V CB 0.695 32.530 31.823 0.019 0.000 1.011 56 V HN 0.138 nan 8.190 nan 0.000 0.475 57 L N 5.130 126.407 121.223 0.090 0.000 2.217 57 L HA 0.134 4.474 4.340 0.000 0.000 0.211 57 L C 0.409 177.407 176.870 0.214 0.000 1.107 57 L CA 1.328 56.243 54.840 0.124 0.000 0.783 57 L CB -0.068 42.059 42.059 0.114 0.000 0.919 57 L HN 0.602 nan 8.230 nan 0.000 0.442 58 F N -0.589 119.368 119.950 0.012 0.000 2.690 58 F HA 0.612 5.139 4.527 0.000 0.000 0.311 58 F C -1.644 174.165 175.800 0.016 0.000 1.111 58 F CA -0.842 57.167 58.000 0.014 0.000 1.003 58 F CB 1.085 40.094 39.000 0.016 0.000 1.283 58 F HN -0.311 nan 8.300 nan 0.000 0.442 59 A N 3.670 125.698 122.820 -1.320 0.000 2.530 59 A HA 0.928 5.248 4.320 0.000 0.000 0.297 59 A C -1.900 175.142 177.584 -0.902 0.000 1.059 59 A CA 0.079 51.518 52.037 -0.996 0.000 0.782 59 A CB 0.796 19.557 19.000 -0.398 0.000 1.301 59 A HN 2.121 nan 8.150 nan 0.000 0.394 60 A N 1.432 123.870 122.820 -0.637 0.000 2.609 60 A HA 0.979 5.299 4.320 0.000 0.000 0.291 60 A C -0.995 176.634 177.584 0.076 0.000 1.096 60 A CA -0.102 51.819 52.037 -0.194 0.000 0.684 60 A CB 0.876 19.869 19.000 -0.010 0.000 1.282 60 A HN 2.206 nan 8.150 nan 0.000 0.412 61 Y N -0.431 119.828 120.300 -0.068 0.000 2.715 61 Y HA 0.872 5.422 4.550 0.000 0.000 0.331 61 Y C -0.959 174.936 175.900 -0.007 0.000 1.197 61 Y CA -1.060 57.026 58.100 -0.023 0.000 1.079 61 Y CB 1.640 40.002 38.460 -0.164 0.000 1.298 61 Y HN 0.949 nan 8.280 nan 0.000 0.477 62 K N 0.189 120.317 120.400 -0.454 0.000 2.653 62 K HA 0.471 4.791 4.320 0.000 0.000 0.274 62 K C -2.007 174.384 176.600 -0.348 0.000 0.974 62 K CA -0.923 55.076 56.287 -0.481 0.000 0.868 62 K CB 1.894 34.321 32.500 -0.122 0.000 1.408 62 K HN 0.858 nan 8.250 nan 0.000 0.397 63 V N 0.219 119.922 119.914 -0.351 0.000 2.368 63 V HA 0.250 4.370 4.120 0.000 0.000 0.266 63 V C 1.163 177.210 176.094 -0.079 0.000 1.045 63 V CA -0.309 61.877 62.300 -0.190 0.000 0.899 63 V CB 1.108 32.781 31.823 -0.251 0.000 1.006 63 V HN 0.886 nan 8.190 nan 0.000 0.470 64 E N 2.851 123.045 120.200 -0.010 0.000 2.065 64 E HA -0.205 4.145 4.350 0.000 0.000 0.201 64 E C 0.505 177.099 176.600 -0.010 0.000 1.016 64 E CA 2.463 58.865 56.400 0.003 0.000 0.818 64 E CB -0.000 29.725 29.700 0.042 0.000 0.749 64 E HN 1.047 nan 8.360 nan 0.000 0.453 65 H N -1.786 117.180 119.070 -0.174 0.000 3.129 65 H HA 0.087 4.643 4.556 0.000 0.000 0.342 65 H C -2.073 173.123 175.328 -0.220 0.000 1.092 65 H CA -1.091 54.784 56.048 -0.287 0.000 1.310 65 H CB 2.054 31.506 29.762 -0.517 0.000 1.932 65 H HN -0.235 nan 8.280 nan 0.000 0.507 66 P HA -0.281 nan 4.420 nan 0.000 0.219 66 P C 1.237 178.787 177.300 0.416 0.000 1.153 66 P CA 1.587 64.731 63.100 0.073 0.000 0.865 66 P CB -0.059 31.610 31.700 -0.051 0.000 0.788 67 F N -1.407 118.751 119.950 0.346 0.000 2.373 67 F HA -0.039 4.488 4.527 0.000 0.000 0.300 67 F C 1.375 177.533 175.800 0.596 0.000 1.080 67 F CA 0.000 58.170 58.000 0.283 0.000 1.417 67 F CB -0.258 38.761 39.000 0.032 0.000 1.070 67 F HN -0.160 nan 8.300 nan 0.000 0.546 68 F N -0.172 119.967 119.950 0.315 0.000 2.507 68 F HA 0.570 5.097 4.527 0.000 0.000 0.325 68 F C 0.145 176.023 175.800 0.131 0.000 1.116 68 F CA -1.647 56.453 58.000 0.166 0.000 0.930 68 F CB 1.230 40.297 39.000 0.111 0.000 1.146 68 F HN -0.388 nan 8.300 nan 0.000 0.447 69 A N 5.000 127.994 122.820 0.290 0.000 2.350 69 A HA 0.736 5.056 4.320 0.000 0.000 0.293 69 A C -0.229 177.461 177.584 0.177 0.000 1.231 69 A CA -0.259 51.905 52.037 0.211 0.000 0.883 69 A CB -0.037 19.076 19.000 0.188 0.000 1.133 69 A HN 0.984 nan 8.150 nan 0.000 0.533 70 R N 0.951 121.556 120.500 0.174 0.000 3.854 70 R HA 0.454 4.794 4.340 0.000 0.000 0.268 70 R C -1.320 175.069 176.300 0.148 0.000 0.968 70 R CA -0.749 55.411 56.100 0.099 0.000 0.976 70 R CB -0.173 30.181 30.300 0.090 0.000 1.286 70 R HN 1.266 nan 8.270 nan 0.000 0.567 71 F N -1.114 118.879 119.950 0.073 0.000 2.693 71 F HA 0.687 5.214 4.527 0.000 0.000 0.309 71 F C -1.560 174.309 175.800 0.116 0.000 1.129 71 F CA -1.241 56.750 58.000 -0.014 0.000 0.948 71 F CB 1.952 40.833 39.000 -0.198 0.000 1.315 71 F HN 0.497 nan 8.300 nan 0.000 0.447 72 K N 2.222 122.819 120.400 0.329 0.000 2.235 72 K HA 0.631 4.951 4.320 0.000 0.000 0.266 72 K C -1.732 175.122 176.600 0.424 0.000 0.980 72 K CA -0.945 55.521 56.287 0.298 0.000 0.849 72 K CB 2.158 34.761 32.500 0.171 0.000 1.098 72 K HN 0.681 nan 8.250 nan 0.000 0.445 73 L N 3.423 124.930 121.223 0.472 0.000 2.313 73 L HA 0.418 4.758 4.340 0.000 0.000 0.283 73 L C -0.745 176.284 176.870 0.265 0.000 1.013 73 L CA -0.308 54.779 54.840 0.413 0.000 0.816 73 L CB 1.292 43.670 42.059 0.531 0.000 1.236 73 L HN 0.549 nan 8.230 nan 0.000 0.419 74 R N 5.756 126.370 120.500 0.191 0.000 2.387 74 R HA 0.709 5.049 4.340 0.000 0.000 0.314 74 R C -1.532 174.825 176.300 0.095 0.000 0.958 74 R CA -0.521 55.694 56.100 0.192 0.000 0.846 74 R CB 0.835 31.331 30.300 0.327 0.000 1.147 74 R HN 0.779 nan 8.270 nan 0.000 0.447 75 I N 3.513 124.148 120.570 0.108 0.000 2.466 75 I HA 0.299 4.469 4.170 0.000 0.000 0.289 75 I C -0.599 175.571 176.117 0.088 0.000 1.026 75 I CA -0.731 60.596 61.300 0.045 0.000 1.078 75 I CB 2.140 40.148 38.000 0.013 0.000 1.249 75 I HN 0.543 nan 8.210 nan 0.000 0.429 76 Q N 4.791 124.660 119.800 0.115 0.000 2.353 76 Q HA 0.717 5.057 4.340 0.000 0.000 0.268 76 Q C -1.038 174.987 176.000 0.042 0.000 1.045 76 Q CA -0.524 55.347 55.803 0.113 0.000 0.811 76 Q CB 2.552 31.422 28.738 0.221 0.000 1.305 76 Q HN 0.828 nan 8.270 nan 0.000 0.447 77 T N -1.105 113.448 114.554 -0.002 0.000 2.804 77 T HA 0.490 4.840 4.350 0.000 0.000 0.290 77 T C -0.441 174.288 174.700 0.049 0.000 1.099 77 T CA -0.791 61.299 62.100 -0.018 0.000 1.011 77 T CB 1.278 70.006 68.868 -0.233 0.000 1.291 77 T HN 0.462 nan 8.240 nan 0.000 0.523 78 T N 1.777 116.406 114.554 0.125 0.000 2.870 78 T HA 0.258 4.608 4.350 0.000 0.000 0.300 78 T C 0.389 175.169 174.700 0.135 0.000 0.989 78 T CA -0.424 61.756 62.100 0.134 0.000 1.139 78 T CB 0.397 69.363 68.868 0.163 0.000 0.920 78 T HN 0.812 nan 8.240 nan 0.000 0.537 79 E N 1.696 121.949 120.200 0.088 0.000 2.604 79 E HA 0.092 4.442 4.350 0.000 0.000 0.267 79 E C 1.328 177.988 176.600 0.099 0.000 0.970 79 E CA 0.965 57.410 56.400 0.076 0.000 0.956 79 E CB -0.292 29.439 29.700 0.052 0.000 0.939 79 E HN 0.979 nan 8.360 nan 0.000 0.465 80 G N 3.415 112.272 108.800 0.094 0.000 2.159 80 G HA2 -0.330 3.630 3.960 0.000 0.000 0.256 80 G HA3 -0.330 3.630 3.960 0.000 0.000 0.256 80 G C -0.388 174.615 174.900 0.172 0.000 0.977 80 G CA 0.484 45.644 45.100 0.101 0.000 0.652 80 G HN 0.671 nan 8.290 nan 0.000 0.531 81 Y N 1.044 121.355 120.300 0.019 0.000 2.402 81 Y HA 0.492 5.042 4.550 0.000 0.000 0.325 81 Y C -0.534 175.380 175.900 0.023 0.000 1.009 81 Y CA -1.319 56.793 58.100 0.020 0.000 1.278 81 Y CB 1.215 39.687 38.460 0.021 0.000 1.105 81 Y HN 0.106 nan 8.280 nan 0.000 0.476 82 D N 8.893 129.362 120.400 0.114 0.000 2.417 82 D HA 0.033 4.673 4.640 0.000 0.000 0.250 82 D C -1.590 174.549 176.300 -0.268 0.000 1.166 82 D CA -1.635 52.331 54.000 -0.058 0.000 0.881 82 D CB 1.905 42.717 40.800 0.020 0.000 1.164 82 D HN 0.390 nan 8.370 nan 0.000 0.467 83 P HA -0.168 nan 4.420 nan 0.000 0.218 83 P C 0.968 178.182 177.300 -0.143 0.000 1.148 83 P CA 1.094 64.023 63.100 -0.286 0.000 0.822 83 P CB 0.446 32.052 31.700 -0.156 0.000 0.784 84 K N -0.120 120.236 120.400 -0.074 0.000 2.074 84 K HA -0.168 4.152 4.320 0.000 0.000 0.209 84 K C 1.991 178.591 176.600 -0.001 0.000 1.048 84 K CA 1.690 57.962 56.287 -0.023 0.000 0.926 84 K CB -0.542 31.950 32.500 -0.013 0.000 0.713 84 K HN 0.140 nan 8.250 nan 0.000 0.444 85 D N 0.574 120.981 120.400 0.013 0.000 2.104 85 D HA -0.153 4.487 4.640 0.000 0.000 0.194 85 D C 1.951 178.315 176.300 0.107 0.000 0.994 85 D CA 1.432 55.489 54.000 0.094 0.000 0.830 85 D CB -0.169 40.758 40.800 0.212 0.000 0.959 85 D HN 0.223 nan 8.370 nan 0.000 0.452 86 A N 1.041 123.869 122.820 0.014 0.000 1.917 86 A HA -0.197 4.123 4.320 0.000 0.000 0.219 86 A C 2.204 179.816 177.584 0.047 0.000 1.182 86 A CA 1.213 53.273 52.037 0.039 0.000 0.633 86 A CB -0.789 18.101 19.000 -0.183 0.000 0.819 86 A HN 0.247 nan 8.150 nan 0.000 0.448 87 L N -0.180 121.058 121.223 0.025 0.000 1.989 87 L HA -0.184 4.156 4.340 0.000 0.000 0.211 87 L C 2.231 179.143 176.870 0.071 0.000 1.071 87 L CA 2.378 57.255 54.840 0.060 0.000 0.749 87 L CB -0.679 41.426 42.059 0.077 0.000 0.890 87 L HN 0.376 nan 8.230 nan 0.000 0.431 88 K N -0.335 120.104 120.400 0.065 0.000 1.981 88 K HA -0.256 4.064 4.320 0.000 0.000 0.228 88 K C 1.905 178.543 176.600 0.064 0.000 1.050 88 K CA 2.044 58.369 56.287 0.063 0.000 1.001 88 K CB -0.612 31.924 32.500 0.059 0.000 0.738 88 K HN 0.449 nan 8.250 nan 0.000 0.447 89 N N 0.664 119.407 118.700 0.072 0.000 2.055 89 N HA -0.282 4.459 4.740 0.000 0.000 0.200 89 N C 1.869 177.411 175.510 0.054 0.000 1.037 89 N CA 1.847 54.936 53.050 0.065 0.000 0.881 89 N CB -0.814 37.724 38.487 0.085 0.000 1.075 89 N HN 0.348 nan 8.380 nan 0.000 0.470 90 A N 0.838 123.693 122.820 0.057 0.000 2.001 90 A HA -0.278 4.042 4.320 0.000 0.000 0.224 90 A C 2.753 180.356 177.584 0.032 0.000 1.203 90 A CA 2.136 54.196 52.037 0.039 0.000 0.667 90 A CB -1.159 17.862 19.000 0.035 0.000 0.823 90 A HN 0.575 nan 8.150 nan 0.000 0.473 91 C N -1.354 117.973 119.300 0.046 0.000 2.522 91 C HA 0.008 4.468 4.460 0.000 0.000 0.280 91 C C 2.617 177.628 174.990 0.035 0.000 1.303 91 C CA 0.610 59.656 59.018 0.046 0.000 1.709 91 C CB -1.400 26.381 27.740 0.068 0.000 2.071 91 C HN 0.673 nan 8.230 nan 0.000 0.492 92 N N 1.234 119.956 118.700 0.037 0.000 2.060 92 N HA -0.177 4.563 4.740 0.000 0.000 0.195 92 N C 1.957 177.480 175.510 0.023 0.000 1.028 92 N CA 1.884 54.952 53.050 0.030 0.000 0.861 92 N CB -0.651 37.855 38.487 0.031 0.000 1.029 92 N HN 0.502 nan 8.380 nan 0.000 0.428 93 S N 1.040 116.753 115.700 0.022 0.000 2.368 93 S HA -0.128 4.342 4.470 0.000 0.000 0.226 93 S C 2.115 176.721 174.600 0.009 0.000 1.044 93 S CA 1.037 59.246 58.200 0.015 0.000 1.062 93 S CB -0.321 62.888 63.200 0.014 0.000 0.931 93 S HN 0.260 nan 8.310 nan 0.000 0.440 94 I N 1.186 121.761 120.570 0.007 0.000 2.163 94 I HA -0.217 3.953 4.170 0.000 0.000 0.243 94 I C 2.273 178.391 176.117 0.003 0.000 1.085 94 I CA 1.604 62.904 61.300 0.000 0.000 1.347 94 I CB -0.503 37.496 38.000 -0.001 0.000 1.044 94 I HN 0.383 nan 8.210 nan 0.000 0.408 95 I N 0.761 121.338 120.570 0.011 0.000 2.076 95 I HA -0.343 3.827 4.170 0.000 0.000 0.237 95 I C 2.291 178.413 176.117 0.008 0.000 1.059 95 I CA 1.536 62.842 61.300 0.011 0.000 1.317 95 I CB -0.853 37.157 38.000 0.016 0.000 1.037 95 I HN 0.299 nan 8.210 nan 0.000 0.398 96 N N 1.411 120.117 118.700 0.011 0.000 2.069 96 N HA -0.227 4.513 4.740 0.000 0.000 0.196 96 N C 1.699 177.214 175.510 0.009 0.000 1.024 96 N CA 1.569 54.625 53.050 0.011 0.000 0.869 96 N CB -0.414 38.080 38.487 0.012 0.000 1.035 96 N HN 0.438 nan 8.380 nan 0.000 0.434 97 K N 0.533 120.936 120.400 0.006 0.000 2.026 97 K HA -0.033 4.287 4.320 0.000 0.000 0.208 97 K C 2.250 178.852 176.600 0.003 0.000 1.048 97 K CA 0.803 57.092 56.287 0.004 0.000 0.929 97 K CB -0.336 32.163 32.500 -0.002 0.000 0.713 97 K HN 0.143 nan 8.250 nan 0.000 0.439 98 L N 0.451 121.673 121.223 -0.002 0.000 2.012 98 L HA -0.165 4.175 4.340 0.000 0.000 0.210 98 L C 2.636 179.506 176.870 0.001 0.000 1.073 98 L CA 1.525 56.360 54.840 -0.008 0.000 0.748 98 L CB -1.105 40.944 42.059 -0.015 0.000 0.891 98 L HN 0.381 nan 8.230 nan 0.000 0.431 99 G N -0.360 108.443 108.800 0.006 0.000 2.505 99 G HA2 -0.337 3.623 3.960 0.000 0.000 0.220 99 G HA3 -0.337 3.623 3.960 0.000 0.000 0.220 99 G C 1.707 176.620 174.900 0.021 0.000 1.145 99 G CA 1.124 46.231 45.100 0.012 0.000 0.761 99 G HN 0.513 nan 8.290 nan 0.000 0.571 100 A N 0.351 123.184 122.820 0.021 0.000 1.854 100 A HA 0.166 4.486 4.320 0.000 0.000 0.214 100 A C 2.415 180.024 177.584 0.043 0.000 1.192 100 A CA 1.387 53.442 52.037 0.030 0.000 0.611 100 A CB -0.590 18.425 19.000 0.025 0.000 0.832 100 A HN 0.389 nan 8.150 nan 0.000 0.442 101 L N -0.193 121.052 121.223 0.036 0.000 2.013 101 L HA -0.279 4.061 4.340 0.000 0.000 0.212 101 L C 2.610 179.524 176.870 0.074 0.000 1.073 101 L CA 2.433 57.303 54.840 0.050 0.000 0.753 101 L CB -0.294 41.774 42.059 0.015 0.000 0.890 101 L HN 0.529 nan 8.230 nan 0.000 0.432 102 K N -1.106 119.317 120.400 0.038 0.000 2.020 102 K HA -0.228 4.092 4.320 0.000 0.000 0.212 102 K C 1.874 178.545 176.600 0.118 0.000 1.050 102 K CA 2.317 58.631 56.287 0.046 0.000 0.929 102 K CB -0.233 32.277 32.500 0.017 0.000 0.714 102 K HN 0.373 nan 8.250 nan 0.000 0.443 103 T N 1.425 116.033 114.554 0.090 0.000 2.588 103 T HA -0.092 4.258 4.350 0.000 0.000 0.261 103 T C 1.435 176.202 174.700 0.112 0.000 1.069 103 T CA 1.490 63.644 62.100 0.091 0.000 1.172 103 T CB -0.433 68.471 68.868 0.059 0.000 0.863 103 T HN 0.294 nan 8.240 nan 0.000 0.408 104 N N 0.681 119.441 118.700 0.099 0.000 2.659 104 N HA -0.029 4.711 4.740 0.000 0.000 0.194 104 N C 0.984 176.576 175.510 0.137 0.000 1.140 104 N CA 0.403 53.509 53.050 0.093 0.000 0.936 104 N CB -0.326 38.206 38.487 0.075 0.000 0.970 104 N HN 0.425 nan 8.380 nan 0.000 0.449 105 F N 0.956 120.926 119.950 0.034 0.000 2.399 105 F HA 0.163 4.690 4.527 0.000 0.000 0.282 105 F C 1.895 177.750 175.800 0.093 0.000 1.027 105 F CA 0.455 58.481 58.000 0.044 0.000 1.333 105 F CB -0.020 38.979 39.000 -0.002 0.000 1.132 105 F HN -0.084 nan 8.300 nan 0.000 0.590 106 E N -0.033 120.285 120.200 0.197 0.000 2.209 106 E HA -0.181 4.169 4.350 0.000 0.000 0.196 106 E C 1.927 178.572 176.600 0.076 0.000 0.993 106 E CA 1.729 58.214 56.400 0.141 0.000 0.819 106 E CB -0.315 29.490 29.700 0.175 0.000 0.745 106 E HN 0.420 nan 8.360 nan 0.000 0.477 107 T N 1.267 115.846 114.554 0.041 0.000 2.622 107 T HA -0.166 4.184 4.350 0.000 0.000 0.266 107 T C 1.662 176.350 174.700 -0.020 0.000 1.047 107 T CA 1.100 63.211 62.100 0.018 0.000 1.159 107 T CB -0.167 68.712 68.868 0.018 0.000 0.863 107 T HN 0.116 nan 8.240 nan 0.000 0.422 108 E N 0.193 120.356 120.200 -0.061 0.000 2.118 108 E HA -0.134 4.216 4.350 0.000 0.000 0.195 108 E C 1.888 178.426 176.600 -0.103 0.000 0.992 108 E CA 0.719 57.063 56.400 -0.093 0.000 0.804 108 E CB -0.351 29.276 29.700 -0.121 0.000 0.741 108 E HN 0.652 nan 8.360 nan 0.000 0.458 109 W N 2.277 123.354 121.300 -0.372 0.000 2.332 109 W HA -0.189 4.471 4.660 0.000 0.000 0.321 109 W C 0.891 177.318 176.519 -0.154 0.000 1.219 109 W CA 1.073 58.226 57.345 -0.320 0.000 1.277 109 W CB -0.274 28.968 29.460 -0.363 0.000 1.161 109 W HN 0.023 nan 8.180 nan 0.000 0.476 110 N N 1.634 120.295 118.700 -0.066 0.000 2.878 110 N HA -0.144 4.596 4.740 0.000 0.000 0.203 110 N C -0.467 174.922 175.510 -0.201 0.000 1.646 110 N CA 1.196 54.169 53.050 -0.128 0.000 0.978 110 N CB -1.080 37.399 38.487 -0.013 0.000 1.251 110 N HN 0.305 nan 8.380 nan 0.000 0.468 111 L N 0.015 121.058 121.223 -0.301 0.000 2.475 111 L HA 0.321 4.661 4.340 0.000 0.000 0.253 111 L C -0.726 176.000 176.870 -0.239 0.000 1.483 111 L CA -0.593 54.111 54.840 -0.226 0.000 0.869 111 L CB 0.471 42.441 42.059 -0.149 0.000 1.086 111 L HN -0.025 nan 8.230 nan 0.000 0.514 112 Q N 0.334 119.986 119.800 -0.247 0.000 3.041 112 Q HA 0.496 4.836 4.340 0.000 0.000 0.198 112 Q C -1.208 174.700 176.000 -0.154 0.000 0.905 112 Q CA -0.508 55.176 55.803 -0.198 0.000 1.255 112 Q CB 0.998 29.602 28.738 -0.223 0.000 1.668 112 Q HN 0.356 nan 8.270 nan 0.000 0.609 113 T N -0.438 114.056 114.554 -0.100 0.000 2.637 113 T HA 0.752 5.102 4.350 0.000 0.000 0.303 113 T C -0.531 174.142 174.700 -0.044 0.000 1.288 113 T CA -0.546 61.511 62.100 -0.071 0.000 1.040 113 T CB 1.090 69.919 68.868 -0.064 0.000 1.644 113 T HN 1.073 nan 8.240 nan 0.000 0.480 114 L N 0.000 121.203 121.223 -0.033 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 114 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502