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 1y77_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 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 N N 1.659 120.348 118.700 -0.019 0.000 2.353 2 N HA 0.313 5.054 4.740 0.000 0.000 0.185 2 N C 0.102 175.586 175.510 -0.043 0.000 1.098 2 N CA 0.793 53.831 53.050 -0.020 0.000 0.872 2 N CB 0.414 38.899 38.487 -0.003 0.000 0.970 2 N HN 0.476 nan 8.380 nan 0.000 0.467 3 A N 3.566 126.353 122.820 -0.056 0.000 2.537 3 A HA 0.146 4.466 4.320 0.000 0.000 0.260 3 A C -1.322 176.206 177.584 -0.093 0.000 1.082 3 A CA -0.750 51.237 52.037 -0.083 0.000 0.765 3 A CB -0.299 18.659 19.000 -0.071 0.000 1.019 3 A HN 0.122 nan 8.150 nan 0.000 0.507 4 P HA 0.082 nan 4.420 nan 0.000 0.273 4 P C -0.668 176.510 177.300 -0.203 0.000 1.258 4 P CA -0.322 62.690 63.100 -0.148 0.000 0.802 4 P CB 0.515 32.132 31.700 -0.138 0.000 1.040 5 D N 0.635 120.830 120.400 -0.343 0.000 2.264 5 D HA 0.072 4.712 4.640 0.000 0.000 0.250 5 D C 1.600 177.573 176.300 -0.545 0.000 1.113 5 D CA -0.380 53.322 54.000 -0.496 0.000 0.871 5 D CB 0.987 41.274 40.800 -0.855 0.000 1.167 5 D HN 0.173 nan 8.370 nan 0.000 0.447 6 R N 2.158 122.496 120.500 -0.269 0.000 2.134 6 R HA -0.209 4.131 4.340 0.000 0.000 0.248 6 R C 1.868 178.147 176.300 -0.035 0.000 1.143 6 R CA 1.258 57.309 56.100 -0.083 0.000 0.957 6 R CB -0.877 29.465 30.300 0.069 0.000 0.867 6 R HN 0.600 nan 8.270 nan 0.000 0.441 7 F N 0.828 120.794 119.950 0.028 0.000 2.724 7 F HA 0.058 4.585 4.527 0.000 0.000 0.297 7 F C 0.648 176.161 175.800 -0.478 0.000 1.200 7 F CA 0.246 58.086 58.000 -0.267 0.000 1.468 7 F CB -0.705 38.103 39.000 -0.321 0.000 1.116 7 F HN -0.021 nan 8.300 nan 0.000 0.599 8 E N 0.516 120.477 120.200 -0.398 0.000 2.368 8 E HA 0.155 4.505 4.350 0.000 0.000 0.188 8 E C 1.415 177.975 176.600 -0.067 0.000 1.061 8 E CA -0.063 56.196 56.400 -0.235 0.000 0.933 8 E CB -0.100 29.433 29.700 -0.278 0.000 1.091 8 E HN 0.575 nan 8.360 nan 0.000 0.458 9 L N -0.612 120.648 121.223 0.061 0.000 2.513 9 L HA 0.121 4.461 4.340 0.000 0.000 0.222 9 L C 1.330 178.458 176.870 0.429 0.000 1.096 9 L CA 0.515 55.531 54.840 0.293 0.000 0.857 9 L CB 0.138 42.445 42.059 0.414 0.000 1.026 9 L HN 0.273 nan 8.230 nan 0.000 0.469 10 F N -4.272 115.735 119.950 0.096 0.000 2.897 10 F HA 0.333 4.860 4.527 0.000 0.000 0.364 10 F C 0.345 176.196 175.800 0.085 0.000 0.940 10 F CA -0.672 57.381 58.000 0.088 0.000 1.106 10 F CB 0.388 39.438 39.000 0.083 0.000 1.034 10 F HN -0.359 nan 8.300 nan 0.000 0.583 11 L N 4.137 125.169 121.223 -0.318 0.000 2.260 11 L HA 0.379 4.719 4.340 0.000 0.000 0.289 11 L C -0.250 176.580 176.870 -0.067 0.000 1.057 11 L CA -0.469 54.265 54.840 -0.177 0.000 0.811 11 L CB 1.004 42.913 42.059 -0.250 0.000 1.184 11 L HN 0.131 nan 8.230 nan 0.000 0.429 12 L N 3.087 124.291 121.223 -0.031 0.000 2.461 12 L HA 0.341 4.682 4.340 0.000 0.000 0.272 12 L C 1.141 177.993 176.870 -0.031 0.000 1.197 12 L CA 0.516 55.340 54.840 -0.027 0.000 0.836 12 L CB 0.377 42.423 42.059 -0.021 0.000 1.105 12 L HN 0.663 nan 8.230 nan 0.000 0.477 13 G N 0.842 109.623 108.800 -0.031 0.000 2.568 13 G HA2 0.327 4.287 3.960 0.000 0.000 0.293 13 G HA3 0.327 4.287 3.960 0.000 0.000 0.293 13 G C -0.623 174.258 174.900 -0.031 0.000 1.347 13 G CA -0.706 44.379 45.100 -0.025 0.000 1.039 13 G HN 0.608 nan 8.290 nan 0.000 0.523 14 E N -0.034 120.149 120.200 -0.028 0.000 2.694 14 E HA 0.286 4.636 4.350 0.000 0.000 0.250 14 E C 0.912 177.491 176.600 -0.034 0.000 0.963 14 E CA 1.043 57.425 56.400 -0.030 0.000 0.949 14 E CB 0.041 29.726 29.700 -0.027 0.000 0.911 14 E HN 0.970 nan 8.360 nan 0.000 0.500 15 G N 3.856 112.637 108.800 -0.032 0.000 2.342 15 G HA2 -0.290 3.670 3.960 0.000 0.000 0.267 15 G HA3 -0.290 3.670 3.960 0.000 0.000 0.267 15 G C -0.403 174.473 174.900 -0.040 0.000 0.922 15 G CA 0.453 45.533 45.100 -0.034 0.000 1.342 15 G HN 0.572 nan 8.290 nan 0.000 0.430 16 E N -0.438 119.737 120.200 -0.041 0.000 2.390 16 E HA 0.612 4.962 4.350 0.000 0.000 0.280 16 E C -0.812 175.759 176.600 -0.049 0.000 0.992 16 E CA -0.822 55.549 56.400 -0.048 0.000 0.790 16 E CB 1.880 31.549 29.700 -0.051 0.000 1.248 16 E HN 0.244 nan 8.360 nan 0.000 0.447 17 S N 0.946 116.610 115.700 -0.060 0.000 2.542 17 S HA 0.237 4.707 4.470 0.000 0.000 0.293 17 S C 0.633 175.183 174.600 -0.082 0.000 1.089 17 S CA -0.819 57.342 58.200 -0.065 0.000 0.961 17 S CB 1.627 64.783 63.200 -0.072 0.000 1.062 17 S HN 0.378 nan 8.310 nan 0.000 0.483 18 K N 0.790 121.145 120.400 -0.074 0.000 2.113 18 K HA -0.007 4.313 4.320 0.000 0.000 0.208 18 K C 0.379 176.863 176.600 -0.194 0.000 1.047 18 K CA 1.346 57.582 56.287 -0.085 0.000 0.928 18 K CB -0.284 32.189 32.500 -0.045 0.000 0.716 18 K HN 0.503 nan 8.250 nan 0.000 0.446 19 L N 0.067 121.161 121.223 -0.216 0.000 2.319 19 L HA 0.407 4.747 4.340 0.000 0.000 0.267 19 L C -0.186 176.555 176.870 -0.215 0.000 1.011 19 L CA -0.781 53.869 54.840 -0.315 0.000 0.818 19 L CB 1.888 43.735 42.059 -0.353 0.000 1.316 19 L HN -0.159 nan 8.230 nan 0.000 0.432 20 K N 2.686 122.950 120.400 -0.227 0.000 2.619 20 K HA 0.511 4.831 4.320 0.000 0.000 0.251 20 K C -1.778 174.740 176.600 -0.136 0.000 0.987 20 K CA -0.389 55.812 56.287 -0.143 0.000 0.844 20 K CB 1.824 34.256 32.500 -0.113 0.000 1.237 20 K HN 0.515 nan 8.250 nan 0.000 0.447 21 I N 3.947 124.457 120.570 -0.101 0.000 2.355 21 I HA 0.256 4.426 4.170 0.000 0.000 0.288 21 I C -0.783 175.308 176.117 -0.043 0.000 0.999 21 I CA -0.708 60.547 61.300 -0.075 0.000 1.163 21 I CB 1.524 39.479 38.000 -0.075 0.000 1.316 21 I HN 0.437 nan 8.210 nan 0.000 0.454 22 D N 8.589 128.974 120.400 -0.025 0.000 2.278 22 D HA 0.322 4.962 4.640 0.000 0.000 0.245 22 D C -2.435 173.866 176.300 0.003 0.000 1.052 22 D CA -1.251 52.743 54.000 -0.010 0.000 0.834 22 D CB 2.200 42.998 40.800 -0.003 0.000 1.194 22 D HN 0.239 nan 8.370 nan 0.000 0.481 23 P HA 0.063 nan 4.420 nan 0.000 0.280 23 P C -0.203 177.108 177.300 0.018 0.000 1.300 23 P CA -0.346 62.760 63.100 0.010 0.000 0.785 23 P CB 1.041 32.743 31.700 0.004 0.000 0.874 24 D N 3.138 123.556 120.400 0.030 0.000 2.458 24 D HA 0.007 4.647 4.640 0.000 0.000 0.243 24 D C 0.881 177.196 176.300 0.026 0.000 1.146 24 D CA 0.474 54.496 54.000 0.037 0.000 0.877 24 D CB 0.946 41.781 40.800 0.059 0.000 1.176 24 D HN 0.299 nan 8.370 nan 0.000 0.461 25 T N 1.714 116.280 114.554 0.020 0.000 3.037 25 T HA 0.007 4.357 4.350 0.000 0.000 0.252 25 T C 1.695 176.401 174.700 0.010 0.000 1.073 25 T CA -0.197 61.911 62.100 0.013 0.000 1.091 25 T CB 0.368 69.242 68.868 0.010 0.000 0.935 25 T HN 0.289 nan 8.240 nan 0.000 0.488 26 K N 2.194 122.601 120.400 0.011 0.000 2.127 26 K HA 0.053 4.373 4.320 0.000 0.000 0.208 26 K C 1.070 177.668 176.600 -0.004 0.000 1.047 26 K CA 1.276 57.564 56.287 0.002 0.000 0.927 26 K CB -0.401 32.100 32.500 0.001 0.000 0.716 26 K HN 0.583 nan 8.250 nan 0.000 0.450 27 A N 0.932 123.754 122.820 0.003 0.000 2.566 27 A HA 0.539 4.859 4.320 0.000 0.000 0.292 27 A C -2.694 174.899 177.584 0.014 0.000 1.112 27 A CA -1.346 50.692 52.037 0.002 0.000 0.707 27 A CB 1.700 20.695 19.000 -0.009 0.000 1.302 27 A HN -0.116 nan 8.150 nan 0.000 0.409 28 P HA 0.178 nan 4.420 nan 0.000 0.282 28 P C -0.491 176.824 177.300 0.026 0.000 1.249 28 P CA -0.183 62.929 63.100 0.019 0.000 0.806 28 P CB 0.683 32.393 31.700 0.016 0.000 0.984 29 N N 0.470 119.184 118.700 0.023 0.000 2.556 29 N HA -0.164 4.577 4.740 0.000 0.000 0.288 29 N C -1.224 174.306 175.510 0.032 0.000 1.226 29 N CA 1.277 54.341 53.050 0.022 0.000 0.719 29 N CB -1.146 37.356 38.487 0.025 0.000 0.923 29 N HN 0.777 nan 8.380 nan 0.000 0.544 30 A N 0.909 123.749 122.820 0.034 0.000 2.583 30 A HA 0.707 5.028 4.320 0.000 0.000 0.292 30 A C -1.072 176.542 177.584 0.050 0.000 1.045 30 A CA -0.273 51.800 52.037 0.060 0.000 0.672 30 A CB 1.645 20.705 19.000 0.100 0.000 1.283 30 A HN 0.326 nan 8.150 nan 0.000 0.419 31 V N -0.432 119.519 119.914 0.061 0.000 3.181 31 V HA 0.734 4.855 4.120 0.000 0.000 0.308 31 V C -0.882 175.257 176.094 0.074 0.000 1.214 31 V CA -0.683 61.646 62.300 0.049 0.000 1.053 31 V CB 2.268 34.102 31.823 0.018 0.000 1.069 31 V HN 1.013 nan 8.190 nan 0.000 0.441 32 V N 2.996 122.945 119.914 0.059 0.000 2.340 32 V HA 0.474 4.594 4.120 0.000 0.000 0.277 32 V C -0.473 175.648 176.094 0.044 0.000 1.017 32 V CA -0.142 62.203 62.300 0.076 0.000 0.820 32 V CB 1.167 33.032 31.823 0.070 0.000 1.028 32 V HN 0.625 nan 8.190 nan 0.000 0.436 33 I N 3.504 124.115 120.570 0.068 0.000 2.315 33 I HA 0.307 4.477 4.170 0.000 0.000 0.291 33 I C 0.462 176.561 176.117 -0.030 0.000 1.006 33 I CA 0.073 61.350 61.300 -0.037 0.000 1.265 33 I CB 1.589 39.553 38.000 -0.061 0.000 1.387 33 I HN 0.436 nan 8.210 nan 0.000 0.475 34 T N 6.934 121.401 114.554 -0.146 0.000 2.733 34 T HA 0.381 4.731 4.350 0.000 0.000 0.294 34 T C -0.334 174.175 174.700 -0.317 0.000 0.956 34 T CA -0.176 61.849 62.100 -0.125 0.000 0.987 34 T CB -0.015 68.805 68.868 -0.080 0.000 0.920 34 T HN 0.096 nan 8.240 nan 0.000 0.470 35 F N 3.064 122.737 119.950 -0.462 0.000 2.411 35 F HA 0.330 4.857 4.527 0.000 0.000 0.355 35 F C 1.072 176.627 175.800 -0.408 0.000 1.117 35 F CA -0.844 56.817 58.000 -0.565 0.000 1.139 35 F CB 0.787 39.056 39.000 -1.219 0.000 1.120 35 F HN 0.340 nan 8.300 nan 0.000 0.493 36 E N 3.239 123.378 120.200 -0.103 0.000 2.283 36 E HA 0.182 4.532 4.350 0.000 0.000 0.271 36 E C 0.023 176.634 176.600 0.017 0.000 1.031 36 E CA -0.568 55.805 56.400 -0.046 0.000 0.868 36 E CB 0.898 30.566 29.700 -0.054 0.000 1.094 36 E HN 0.316 nan 8.360 nan 0.000 0.401 37 K N 1.656 122.082 120.400 0.044 0.000 3.490 37 K HA -0.205 4.115 4.320 0.000 0.000 0.273 37 K C -0.107 176.581 176.600 0.147 0.000 0.916 37 K CA 0.971 57.316 56.287 0.098 0.000 0.718 37 K CB -0.998 31.552 32.500 0.083 0.000 1.477 37 K HN 0.466 nan 8.250 nan 0.000 0.452 38 E N 0.063 120.357 120.200 0.158 0.000 2.442 38 E HA 0.485 4.835 4.350 0.000 0.000 0.271 38 E C -0.159 176.637 176.600 0.327 0.000 1.002 38 E CA -0.449 56.091 56.400 0.232 0.000 0.864 38 E CB 1.805 31.642 29.700 0.228 0.000 1.573 38 E HN 0.299 nan 8.360 nan 0.000 0.456 39 D N -1.826 118.824 120.400 0.417 0.000 2.992 39 D HA 0.092 4.732 4.640 0.000 0.000 0.349 39 D C 0.894 177.255 176.300 0.103 0.000 1.393 39 D CA -0.354 53.811 54.000 0.275 0.000 0.887 39 D CB -0.098 40.787 40.800 0.141 0.000 1.447 39 D HN 0.333 nan 8.370 nan 0.000 0.524 40 H N 0.224 119.327 119.070 0.055 0.000 2.272 40 H HA -0.155 4.401 4.556 0.000 0.000 0.289 40 H C 1.601 176.900 175.328 -0.048 0.000 1.100 40 H CA 2.837 58.903 56.048 0.029 0.000 1.209 40 H CB -0.913 28.874 29.762 0.042 0.000 1.348 40 H HN 0.526 nan 8.280 nan 0.000 0.481 41 T N 1.269 115.902 114.554 0.133 0.000 2.567 41 T HA -0.251 4.099 4.350 0.000 0.000 0.261 41 T C 2.271 176.963 174.700 -0.012 0.000 1.123 41 T CA 2.130 64.257 62.100 0.044 0.000 1.166 41 T CB -0.703 68.198 68.868 0.055 0.000 0.860 41 T HN 0.205 nan 8.240 nan 0.000 0.436 42 L N 0.034 121.266 121.223 0.015 0.000 2.307 42 L HA 0.291 4.632 4.340 0.000 0.000 0.211 42 L C 2.409 179.174 176.870 -0.175 0.000 1.099 42 L CA 1.055 55.884 54.840 -0.019 0.000 0.816 42 L CB -0.585 41.529 42.059 0.091 0.000 0.952 42 L HN 0.328 nan 8.230 nan 0.000 0.455 43 G N -0.165 108.417 108.800 -0.364 0.000 2.505 43 G HA2 -0.361 3.600 3.960 0.000 0.000 0.214 43 G HA3 -0.361 3.600 3.960 0.000 0.000 0.214 43 G C 1.306 175.591 174.900 -1.024 0.000 1.237 43 G CA 0.823 45.368 45.100 -0.926 0.000 0.802 43 G HN 0.455 nan 8.290 nan 0.000 0.549 44 N N 0.206 118.259 118.700 -1.079 0.000 2.096 44 N HA -0.167 4.573 4.740 0.000 0.000 0.195 44 N C 2.099 177.290 175.510 -0.532 0.000 1.017 44 N CA 1.681 54.167 53.050 -0.940 0.000 0.870 44 N CB -0.414 37.831 38.487 -0.404 0.000 1.024 44 N HN 0.234 nan 8.380 nan 0.000 0.434 45 L N 0.759 121.773 121.223 -0.350 0.000 1.970 45 L HA 0.010 4.350 4.340 0.000 0.000 0.212 45 L C 1.928 178.678 176.870 -0.201 0.000 1.071 45 L CA 1.648 56.358 54.840 -0.217 0.000 0.751 45 L CB -0.754 41.220 42.059 -0.142 0.000 0.889 45 L HN 0.335 nan 8.230 nan 0.000 0.432 46 I N -0.701 119.741 120.570 -0.212 0.000 2.916 46 I HA -0.171 3.999 4.170 0.000 0.000 0.267 46 I C 2.416 178.432 176.117 -0.168 0.000 1.263 46 I CA 0.348 61.563 61.300 -0.141 0.000 1.471 46 I CB -0.502 37.437 38.000 -0.102 0.000 1.089 46 I HN 0.317 nan 8.210 nan 0.000 0.468 47 R N 1.463 121.789 120.500 -0.290 0.000 2.075 47 R HA 0.073 4.413 4.340 0.000 0.000 0.220 47 R C 2.272 178.450 176.300 -0.203 0.000 1.118 47 R CA 1.439 57.368 56.100 -0.286 0.000 0.986 47 R CB -0.368 29.637 30.300 -0.491 0.000 0.884 47 R HN 0.292 nan 8.270 nan 0.000 0.439 48 A N 1.575 124.275 122.820 -0.201 0.000 1.845 48 A HA -0.142 4.178 4.320 0.000 0.000 0.215 48 A C 2.022 179.553 177.584 -0.088 0.000 1.195 48 A CA 1.390 53.348 52.037 -0.132 0.000 0.616 48 A CB -0.607 18.318 19.000 -0.124 0.000 0.832 48 A HN 0.275 nan 8.150 nan 0.000 0.443 49 E N -0.222 119.930 120.200 -0.080 0.000 2.097 49 E HA -0.193 4.158 4.350 0.000 0.000 0.196 49 E C 1.927 178.508 176.600 -0.031 0.000 1.000 49 E CA 0.989 57.361 56.400 -0.046 0.000 0.804 49 E CB -0.430 29.247 29.700 -0.038 0.000 0.740 49 E HN 0.616 nan 8.360 nan 0.000 0.454 50 L N 0.431 121.628 121.223 -0.045 0.000 2.353 50 L HA -0.149 4.191 4.340 0.000 0.000 0.220 50 L C 2.020 178.873 176.870 -0.028 0.000 1.133 50 L CA 0.291 55.114 54.840 -0.028 0.000 0.798 50 L CB 0.033 42.064 42.059 -0.046 0.000 0.922 50 L HN 0.110 nan 8.230 nan 0.000 0.445 51 L N -0.713 120.484 121.223 -0.043 0.000 2.592 51 L HA 0.054 4.395 4.340 0.000 0.000 0.227 51 L C 1.708 178.575 176.870 -0.005 0.000 1.127 51 L CA 0.861 55.682 54.840 -0.031 0.000 0.884 51 L CB -0.561 41.469 42.059 -0.049 0.000 1.065 51 L HN 0.191 nan 8.230 nan 0.000 0.457 52 N N -0.728 117.972 118.700 -0.000 0.000 2.278 52 N HA -0.073 4.667 4.740 0.000 0.000 0.181 52 N C 0.293 175.818 175.510 0.026 0.000 1.023 52 N CA 0.347 53.402 53.050 0.009 0.000 0.862 52 N CB -0.262 38.227 38.487 0.003 0.000 1.003 52 N HN 0.252 nan 8.380 nan 0.000 0.431 53 D N 2.305 122.729 120.400 0.041 0.000 2.661 53 D HA -0.104 4.536 4.640 0.000 0.000 0.283 53 D C 0.799 177.143 176.300 0.074 0.000 1.470 53 D CA 0.180 54.222 54.000 0.070 0.000 1.126 53 D CB 0.156 41.028 40.800 0.120 0.000 1.145 53 D HN 0.127 nan 8.370 nan 0.000 0.572 54 R N 2.353 122.882 120.500 0.048 0.000 2.332 54 R HA -0.155 4.186 4.340 0.000 0.000 0.239 54 R C 1.487 177.829 176.300 0.070 0.000 1.160 54 R CA 0.819 56.947 56.100 0.046 0.000 1.020 54 R CB 0.236 30.550 30.300 0.024 0.000 0.859 54 R HN 0.296 nan 8.270 nan 0.000 0.478 55 K N 0.218 120.683 120.400 0.108 0.000 2.426 55 K HA 0.073 4.393 4.320 0.000 0.000 0.193 55 K C 0.058 176.793 176.600 0.226 0.000 1.028 55 K CA 0.299 56.697 56.287 0.184 0.000 1.047 55 K CB 0.659 33.305 32.500 0.244 0.000 0.821 55 K HN -0.037 nan 8.250 nan 0.000 0.513 56 V N 3.119 123.128 119.914 0.158 0.000 2.339 56 V HA 0.097 4.217 4.120 0.000 0.000 0.261 56 V C 1.493 177.650 176.094 0.105 0.000 1.058 56 V CA -0.029 62.337 62.300 0.111 0.000 0.897 56 V CB 0.634 32.497 31.823 0.066 0.000 1.052 56 V HN 0.127 nan 8.190 nan 0.000 0.480 57 L N 4.535 125.834 121.223 0.126 0.000 2.291 57 L HA 0.179 4.519 4.340 0.000 0.000 0.214 57 L C 0.405 177.420 176.870 0.240 0.000 1.120 57 L CA 1.259 56.188 54.840 0.147 0.000 0.799 57 L CB -0.079 42.058 42.059 0.131 0.000 0.925 57 L HN 0.531 nan 8.230 nan 0.000 0.446 58 F N -0.029 119.942 119.950 0.034 0.000 2.628 58 F HA 0.670 5.197 4.527 0.000 0.000 0.309 58 F C -1.429 174.394 175.800 0.039 0.000 1.108 58 F CA -1.165 56.855 58.000 0.034 0.000 0.971 58 F CB 1.571 40.591 39.000 0.033 0.000 1.279 58 F HN -0.284 nan 8.300 nan 0.000 0.441 59 A N 3.792 125.972 122.820 -1.067 0.000 2.511 59 A HA 0.850 5.170 4.320 0.000 0.000 0.292 59 A C -1.933 175.231 177.584 -0.700 0.000 1.045 59 A CA 0.147 51.706 52.037 -0.797 0.000 0.870 59 A CB 0.440 19.253 19.000 -0.312 0.000 1.361 59 A HN 1.932 nan 8.150 nan 0.000 0.396 60 A N 1.673 124.137 122.820 -0.593 0.000 2.594 60 A HA 1.000 5.320 4.320 0.000 0.000 0.291 60 A C -0.998 176.629 177.584 0.072 0.000 1.105 60 A CA -0.219 51.712 52.037 -0.176 0.000 0.694 60 A CB 1.054 20.023 19.000 -0.051 0.000 1.291 60 A HN 2.154 nan 8.150 nan 0.000 0.410 61 Y N -0.305 119.950 120.300 -0.076 0.000 2.677 61 Y HA 0.851 5.401 4.550 0.000 0.000 0.334 61 Y C -0.957 174.934 175.900 -0.015 0.000 1.154 61 Y CA -1.085 56.996 58.100 -0.031 0.000 1.070 61 Y CB 1.746 40.109 38.460 -0.162 0.000 1.294 61 Y HN 0.905 nan 8.280 nan 0.000 0.475 62 K N 0.606 120.680 120.400 -0.543 0.000 2.589 62 K HA 0.514 4.835 4.320 0.000 0.000 0.265 62 K C -1.942 174.445 176.600 -0.356 0.000 0.935 62 K CA -0.973 54.991 56.287 -0.539 0.000 0.850 62 K CB 2.124 34.525 32.500 -0.165 0.000 1.372 62 K HN 0.850 nan 8.250 nan 0.000 0.420 63 V N 0.033 119.724 119.914 -0.372 0.000 2.432 63 V HA 0.253 4.373 4.120 0.000 0.000 0.271 63 V C 0.975 177.025 176.094 -0.072 0.000 1.046 63 V CA -0.270 61.918 62.300 -0.186 0.000 0.945 63 V CB 1.196 32.850 31.823 -0.282 0.000 0.992 63 V HN 0.937 nan 8.190 nan 0.000 0.471 64 E N 2.473 122.684 120.200 0.018 0.000 2.150 64 E HA -0.085 4.265 4.350 0.000 0.000 0.193 64 E C 0.203 176.834 176.600 0.052 0.000 0.985 64 E CA 1.651 58.075 56.400 0.041 0.000 0.814 64 E CB 0.137 29.889 29.700 0.086 0.000 0.752 64 E HN 1.001 nan 8.360 nan 0.000 0.466 65 H N -1.784 117.231 119.070 -0.092 0.000 3.155 65 H HA 0.051 4.607 4.556 0.000 0.000 0.328 65 H C -2.104 173.142 175.328 -0.137 0.000 1.059 65 H CA -1.003 54.931 56.048 -0.191 0.000 1.378 65 H CB 1.815 31.357 29.762 -0.367 0.000 1.998 65 H HN -0.241 nan 8.280 nan 0.000 0.480 66 P HA -0.249 nan 4.420 nan 0.000 0.218 66 P C 1.370 178.864 177.300 0.324 0.000 1.152 66 P CA 1.492 64.638 63.100 0.076 0.000 0.857 66 P CB 0.019 31.715 31.700 -0.006 0.000 0.787 67 F N -0.932 119.126 119.950 0.180 0.000 2.154 67 F HA -0.119 4.408 4.527 0.000 0.000 0.301 67 F C 1.425 177.363 175.800 0.230 0.000 1.087 67 F CA 0.290 58.304 58.000 0.023 0.000 1.274 67 F CB -0.340 38.408 39.000 -0.420 0.000 1.009 67 F HN -0.175 nan 8.300 nan 0.000 0.485 68 F N -0.363 119.770 119.950 0.305 0.000 2.458 68 F HA 0.544 5.071 4.527 0.000 0.000 0.336 68 F C 0.236 176.109 175.800 0.122 0.000 1.114 68 F CA -1.611 56.481 58.000 0.153 0.000 0.987 68 F CB 1.061 40.126 39.000 0.108 0.000 1.130 68 F HN -0.363 nan 8.300 nan 0.000 0.458 69 A N 5.156 128.151 122.820 0.292 0.000 2.376 69 A HA 0.704 5.024 4.320 0.000 0.000 0.298 69 A C -0.155 177.535 177.584 0.176 0.000 1.271 69 A CA -0.261 51.901 52.037 0.208 0.000 0.926 69 A CB -0.162 18.948 19.000 0.182 0.000 1.141 69 A HN 0.986 nan 8.150 nan 0.000 0.539 70 R N 0.906 121.517 120.500 0.185 0.000 3.176 70 R HA 0.562 4.902 4.340 0.000 0.000 0.284 70 R C -1.289 175.124 176.300 0.188 0.000 0.985 70 R CA -0.756 55.413 56.100 0.114 0.000 0.853 70 R CB 0.201 30.554 30.300 0.088 0.000 1.309 70 R HN 1.269 nan 8.270 nan 0.000 0.528 71 F N -1.541 118.472 119.950 0.106 0.000 2.719 71 F HA 0.655 5.182 4.527 0.000 0.000 0.309 71 F C -1.781 174.109 175.800 0.149 0.000 1.138 71 F CA -1.220 56.804 58.000 0.040 0.000 0.943 71 F CB 1.661 40.602 39.000 -0.099 0.000 1.304 71 F HN 0.551 nan 8.300 nan 0.000 0.445 72 K N 1.801 122.437 120.400 0.393 0.000 2.182 72 K HA 0.718 5.038 4.320 0.000 0.000 0.262 72 K C -1.852 175.027 176.600 0.465 0.000 0.957 72 K CA -1.014 55.472 56.287 0.332 0.000 0.842 72 K CB 2.280 34.888 32.500 0.180 0.000 1.099 72 K HN 0.696 nan 8.250 nan 0.000 0.438 73 L N 2.886 124.391 121.223 0.470 0.000 2.356 73 L HA 0.433 4.773 4.340 0.000 0.000 0.277 73 L C -1.044 175.970 176.870 0.239 0.000 0.996 73 L CA -0.372 54.715 54.840 0.412 0.000 0.822 73 L CB 1.539 43.942 42.059 0.572 0.000 1.256 73 L HN 0.557 nan 8.230 nan 0.000 0.413 74 R N 5.869 126.451 120.500 0.137 0.000 2.295 74 R HA 0.736 5.076 4.340 0.000 0.000 0.324 74 R C -1.472 174.815 176.300 -0.022 0.000 0.968 74 R CA -0.485 55.678 56.100 0.106 0.000 0.837 74 R CB 0.784 31.218 30.300 0.223 0.000 1.133 74 R HN 0.780 nan 8.270 nan 0.000 0.450 75 I N 3.188 123.783 120.570 0.040 0.000 2.509 75 I HA 0.340 4.510 4.170 0.000 0.000 0.293 75 I C -0.602 175.557 176.117 0.069 0.000 1.020 75 I CA -0.859 60.440 61.300 -0.001 0.000 1.088 75 I CB 2.140 40.136 38.000 -0.005 0.000 1.267 75 I HN 0.533 nan 8.210 nan 0.000 0.430 76 Q N 4.584 124.444 119.800 0.100 0.000 2.347 76 Q HA 0.655 4.995 4.340 0.000 0.000 0.271 76 Q C -1.247 174.802 176.000 0.082 0.000 1.064 76 Q CA -0.513 55.367 55.803 0.129 0.000 0.800 76 Q CB 2.727 31.613 28.738 0.247 0.000 1.304 76 Q HN 0.871 nan 8.270 nan 0.000 0.438 77 T N -0.952 113.628 114.554 0.044 0.000 2.838 77 T HA 0.504 4.854 4.350 0.000 0.000 0.292 77 T C -0.318 174.444 174.700 0.102 0.000 1.113 77 T CA -0.738 61.400 62.100 0.063 0.000 1.008 77 T CB 1.319 70.146 68.868 -0.068 0.000 1.259 77 T HN 0.462 nan 8.240 nan 0.000 0.520 78 T N 1.660 116.319 114.554 0.174 0.000 2.916 78 T HA 0.232 4.582 4.350 0.000 0.000 0.303 78 T C 0.446 175.233 174.700 0.145 0.000 1.025 78 T CA -0.448 61.740 62.100 0.147 0.000 1.142 78 T CB 0.363 69.319 68.868 0.147 0.000 0.947 78 T HN 0.833 nan 8.240 nan 0.000 0.544 79 E N 1.408 121.664 120.200 0.094 0.000 2.537 79 E HA 0.099 4.449 4.350 0.000 0.000 0.269 79 E C 1.386 178.047 176.600 0.102 0.000 1.038 79 E CA 0.891 57.339 56.400 0.079 0.000 0.977 79 E CB -0.297 29.436 29.700 0.054 0.000 0.973 79 E HN 0.969 nan 8.360 nan 0.000 0.456 80 G N 2.990 111.845 108.800 0.093 0.000 2.184 80 G HA2 -0.337 3.623 3.960 0.000 0.000 0.264 80 G HA3 -0.337 3.623 3.960 0.000 0.000 0.264 80 G C -0.322 174.683 174.900 0.175 0.000 0.975 80 G CA 0.637 45.798 45.100 0.101 0.000 0.642 80 G HN 0.665 nan 8.290 nan 0.000 0.536 81 Y N 1.084 121.395 120.300 0.019 0.000 2.402 81 Y HA 0.481 5.031 4.550 0.000 0.000 0.325 81 Y C -0.322 175.591 175.900 0.023 0.000 1.009 81 Y CA -1.261 56.851 58.100 0.020 0.000 1.278 81 Y CB 1.095 39.568 38.460 0.021 0.000 1.105 81 Y HN 0.134 nan 8.280 nan 0.000 0.476 82 D N 8.342 128.723 120.400 -0.031 0.000 2.458 82 D HA 0.015 4.655 4.640 0.000 0.000 0.243 82 D C -1.650 174.410 176.300 -0.399 0.000 1.146 82 D CA -1.414 52.494 54.000 -0.153 0.000 0.877 82 D CB 1.955 42.725 40.800 -0.049 0.000 1.176 82 D HN 0.368 nan 8.370 nan 0.000 0.461 83 P HA -0.136 nan 4.420 nan 0.000 0.217 83 P C 1.019 178.206 177.300 -0.189 0.000 1.151 83 P CA 1.028 63.944 63.100 -0.307 0.000 0.828 83 P CB 0.438 32.045 31.700 -0.154 0.000 0.788 84 K N -0.045 120.286 120.400 -0.115 0.000 2.059 84 K HA -0.181 4.139 4.320 0.000 0.000 0.212 84 K C 1.958 178.532 176.600 -0.044 0.000 1.050 84 K CA 1.815 58.066 56.287 -0.059 0.000 0.927 84 K CB -0.569 31.907 32.500 -0.041 0.000 0.714 84 K HN 0.141 nan 8.250 nan 0.000 0.447 85 D N 0.460 120.827 120.400 -0.055 0.000 2.104 85 D HA -0.148 4.493 4.640 0.000 0.000 0.194 85 D C 1.935 178.257 176.300 0.037 0.000 0.994 85 D CA 1.386 55.398 54.000 0.021 0.000 0.830 85 D CB -0.188 40.677 40.800 0.108 0.000 0.959 85 D HN 0.232 nan 8.370 nan 0.000 0.452 86 A N 1.044 123.812 122.820 -0.086 0.000 1.917 86 A HA -0.200 4.121 4.320 0.000 0.000 0.219 86 A C 2.217 179.821 177.584 0.035 0.000 1.182 86 A CA 1.235 53.270 52.037 -0.003 0.000 0.633 86 A CB -0.808 18.080 19.000 -0.187 0.000 0.819 86 A HN 0.249 nan 8.150 nan 0.000 0.448 87 L N -0.166 121.063 121.223 0.010 0.000 1.989 87 L HA -0.194 4.146 4.340 0.000 0.000 0.211 87 L C 2.260 179.167 176.870 0.061 0.000 1.071 87 L CA 2.380 57.250 54.840 0.050 0.000 0.749 87 L CB -0.610 41.487 42.059 0.062 0.000 0.890 87 L HN 0.362 nan 8.230 nan 0.000 0.431 88 K N -0.187 120.244 120.400 0.053 0.000 1.986 88 K HA -0.270 4.050 4.320 0.000 0.000 0.230 88 K C 1.847 178.482 176.600 0.058 0.000 1.048 88 K CA 2.125 58.445 56.287 0.055 0.000 1.008 88 K CB -0.776 31.755 32.500 0.051 0.000 0.737 88 K HN 0.492 nan 8.250 nan 0.000 0.447 89 N N 0.900 119.640 118.700 0.067 0.000 2.058 89 N HA -0.276 4.464 4.740 0.000 0.000 0.200 89 N C 1.873 177.414 175.510 0.051 0.000 1.033 89 N CA 1.925 55.012 53.050 0.063 0.000 0.880 89 N CB -0.880 37.657 38.487 0.084 0.000 1.069 89 N HN 0.361 nan 8.380 nan 0.000 0.461 90 A N 0.727 123.579 122.820 0.054 0.000 2.054 90 A HA -0.222 4.098 4.320 0.000 0.000 0.223 90 A C 2.658 180.259 177.584 0.029 0.000 1.169 90 A CA 1.860 53.918 52.037 0.036 0.000 0.655 90 A CB -0.960 18.059 19.000 0.032 0.000 0.812 90 A HN 0.579 nan 8.150 nan 0.000 0.462 91 C N -1.305 118.020 119.300 0.041 0.000 2.538 91 C HA 0.029 4.489 4.460 0.000 0.000 0.281 91 C C 2.570 177.579 174.990 0.031 0.000 1.320 91 C CA 0.512 59.554 59.018 0.040 0.000 1.714 91 C CB -1.308 26.468 27.740 0.060 0.000 2.095 91 C HN 0.658 nan 8.230 nan 0.000 0.497 92 N N 1.342 120.063 118.700 0.034 0.000 2.037 92 N HA -0.170 4.570 4.740 0.000 0.000 0.196 92 N C 1.946 177.469 175.510 0.021 0.000 1.034 92 N CA 1.825 54.892 53.050 0.028 0.000 0.861 92 N CB -0.661 37.844 38.487 0.030 0.000 1.039 92 N HN 0.460 nan 8.380 nan 0.000 0.427 93 S N 0.856 116.569 115.700 0.021 0.000 2.365 93 S HA -0.074 4.396 4.470 0.000 0.000 0.225 93 S C 2.076 176.680 174.600 0.008 0.000 1.039 93 S CA 0.858 59.067 58.200 0.015 0.000 1.033 93 S CB -0.224 62.985 63.200 0.015 0.000 0.887 93 S HN 0.249 nan 8.310 nan 0.000 0.447 94 I N 0.933 121.507 120.570 0.006 0.000 2.315 94 I HA -0.171 3.999 4.170 0.000 0.000 0.248 94 I C 2.086 178.203 176.117 0.001 0.000 1.117 94 I CA 1.134 62.433 61.300 -0.002 0.000 1.404 94 I CB -0.385 37.611 38.000 -0.006 0.000 1.071 94 I HN 0.359 nan 8.210 nan 0.000 0.419 95 I N 0.705 121.279 120.570 0.008 0.000 2.133 95 I HA -0.294 3.876 4.170 0.000 0.000 0.238 95 I C 2.282 178.403 176.117 0.007 0.000 1.074 95 I CA 1.324 62.629 61.300 0.008 0.000 1.342 95 I CB -0.732 37.277 38.000 0.014 0.000 1.053 95 I HN 0.261 nan 8.210 nan 0.000 0.404 96 N N 1.581 120.287 118.700 0.010 0.000 2.037 96 N HA -0.214 4.527 4.740 0.000 0.000 0.196 96 N C 1.717 177.233 175.510 0.009 0.000 1.034 96 N CA 1.503 54.559 53.050 0.011 0.000 0.861 96 N CB -0.470 38.025 38.487 0.012 0.000 1.039 96 N HN 0.365 nan 8.380 nan 0.000 0.427 97 K N 0.652 121.055 120.400 0.006 0.000 2.089 97 K HA -0.118 4.202 4.320 0.000 0.000 0.210 97 K C 2.186 178.788 176.600 0.005 0.000 1.048 97 K CA 0.990 57.280 56.287 0.005 0.000 0.926 97 K CB -0.368 32.131 32.500 -0.001 0.000 0.714 97 K HN 0.189 nan 8.250 nan 0.000 0.448 98 L N 0.005 121.228 121.223 -0.001 0.000 2.093 98 L HA -0.112 4.228 4.340 0.000 0.000 0.208 98 L C 2.597 179.469 176.870 0.003 0.000 1.085 98 L CA 1.243 56.079 54.840 -0.005 0.000 0.755 98 L CB -0.840 41.212 42.059 -0.013 0.000 0.904 98 L HN 0.360 nan 8.230 nan 0.000 0.435 99 G N -0.296 108.508 108.800 0.008 0.000 2.469 99 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 99 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 99 G C 1.721 176.634 174.900 0.022 0.000 1.136 99 G CA 0.960 46.068 45.100 0.013 0.000 0.759 99 G HN 0.483 nan 8.290 nan 0.000 0.562 100 A N 0.551 123.385 122.820 0.023 0.000 1.832 100 A HA 0.144 4.464 4.320 0.000 0.000 0.214 100 A C 2.382 179.994 177.584 0.047 0.000 1.200 100 A CA 1.297 53.353 52.037 0.032 0.000 0.610 100 A CB -0.717 18.299 19.000 0.027 0.000 0.842 100 A HN 0.332 nan 8.150 nan 0.000 0.444 101 L N -0.282 120.966 121.223 0.042 0.000 2.089 101 L HA -0.272 4.068 4.340 0.000 0.000 0.213 101 L C 2.653 179.574 176.870 0.085 0.000 1.079 101 L CA 2.263 57.139 54.840 0.061 0.000 0.758 101 L CB -0.250 41.825 42.059 0.025 0.000 0.891 101 L HN 0.553 nan 8.230 nan 0.000 0.433 102 K N -1.154 119.275 120.400 0.048 0.000 2.097 102 K HA -0.173 4.147 4.320 0.000 0.000 0.206 102 K C 1.799 178.470 176.600 0.118 0.000 1.049 102 K CA 1.876 58.196 56.287 0.055 0.000 0.933 102 K CB -0.018 32.494 32.500 0.020 0.000 0.717 102 K HN 0.329 nan 8.250 nan 0.000 0.442 103 T N 1.394 116.003 114.554 0.092 0.000 2.590 103 T HA -0.080 4.270 4.350 0.000 0.000 0.257 103 T C 1.482 176.249 174.700 0.111 0.000 1.080 103 T CA 1.395 63.549 62.100 0.089 0.000 1.180 103 T CB -0.456 68.446 68.868 0.058 0.000 0.865 103 T HN 0.286 nan 8.240 nan 0.000 0.403 104 N N 0.922 119.682 118.700 0.099 0.000 2.322 104 N HA -0.095 4.645 4.740 0.000 0.000 0.189 104 N C 1.343 176.929 175.510 0.128 0.000 1.012 104 N CA 0.772 53.877 53.050 0.093 0.000 0.880 104 N CB -0.473 38.061 38.487 0.079 0.000 0.967 104 N HN 0.406 nan 8.380 nan 0.000 0.439 105 F N 1.551 121.524 119.950 0.040 0.000 2.118 105 F HA 0.015 4.542 4.527 0.000 0.000 0.293 105 F C 2.066 177.926 175.800 0.101 0.000 1.102 105 F CA 1.056 59.090 58.000 0.057 0.000 1.247 105 F CB -0.218 38.797 39.000 0.024 0.000 1.017 105 F HN -0.038 nan 8.300 nan 0.000 0.475 106 E N -0.140 120.169 120.200 0.182 0.000 2.118 106 E HA -0.208 4.142 4.350 0.000 0.000 0.195 106 E C 2.051 178.681 176.600 0.050 0.000 0.992 106 E CA 1.867 58.333 56.400 0.110 0.000 0.804 106 E CB -0.446 29.351 29.700 0.160 0.000 0.741 106 E HN 0.412 nan 8.360 nan 0.000 0.458 107 T N 1.415 115.989 114.554 0.035 0.000 2.544 107 T HA -0.225 4.125 4.350 0.000 0.000 0.264 107 T C 1.650 176.334 174.700 -0.027 0.000 1.096 107 T CA 1.487 63.595 62.100 0.013 0.000 1.181 107 T CB -0.295 68.582 68.868 0.015 0.000 0.864 107 T HN 0.178 nan 8.240 nan 0.000 0.415 108 E N -0.112 120.045 120.200 -0.071 0.000 2.209 108 E HA -0.142 4.209 4.350 0.000 0.000 0.196 108 E C 1.924 178.440 176.600 -0.140 0.000 0.993 108 E CA 0.731 57.064 56.400 -0.111 0.000 0.819 108 E CB -0.231 29.392 29.700 -0.128 0.000 0.745 108 E HN 0.687 nan 8.360 nan 0.000 0.477 109 W N 1.937 123.020 121.300 -0.361 0.000 2.409 109 W HA -0.094 4.566 4.660 0.000 0.000 0.299 109 W C 1.388 177.814 176.519 -0.154 0.000 1.203 109 W CA 0.799 57.956 57.345 -0.314 0.000 1.298 109 W CB -0.182 29.038 29.460 -0.400 0.000 1.127 109 W HN 0.031 nan 8.180 nan 0.000 0.528 110 N N 1.241 119.933 118.700 -0.013 0.000 2.223 110 N HA -0.145 4.595 4.740 0.000 0.000 0.185 110 N C 1.665 177.084 175.510 -0.152 0.000 1.016 110 N CA 1.544 54.559 53.050 -0.059 0.000 0.863 110 N CB -0.740 37.763 38.487 0.027 0.000 0.983 110 N HN 0.287 nan 8.380 nan 0.000 0.429 111 L N 0.602 121.739 121.223 -0.144 0.000 2.675 111 L HA 0.056 4.396 4.340 0.000 0.000 0.239 111 L C 0.377 177.130 176.870 -0.195 0.000 1.151 111 L CA 0.389 55.147 54.840 -0.137 0.000 0.905 111 L CB -0.265 41.736 42.059 -0.098 0.000 1.057 111 L HN -0.002 nan 8.230 nan 0.000 0.435 112 Q N 0.421 120.030 119.800 -0.317 0.000 2.215 112 Q HA 0.447 4.787 4.340 0.000 0.000 0.256 112 Q C -0.311 175.485 176.000 -0.340 0.000 0.972 112 Q CA -0.098 55.482 55.803 -0.371 0.000 0.889 112 Q CB 2.267 30.654 28.738 -0.585 0.000 1.281 112 Q HN -0.040 nan 8.270 nan 0.000 0.456 113 T N 1.784 116.179 114.554 -0.264 0.000 2.815 113 T HA 0.761 5.111 4.350 0.000 0.000 0.289 113 T C -0.062 174.525 174.700 -0.188 0.000 1.000 113 T CA -0.467 61.516 62.100 -0.196 0.000 0.958 113 T CB 0.512 69.303 68.868 -0.127 0.000 0.944 113 T HN 0.519 nan 8.240 nan 0.000 0.442 114 L N 0.000 121.118 121.223 -0.175 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.768 54.840 -0.120 0.000 0.813 114 L CB 0.000 42.000 42.059 -0.099 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502