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 3hou_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 0.000 176.278 176.300 -0.036 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 N N 1.351 120.022 118.700 -0.048 0.000 2.177 2 N HA 0.355 5.095 4.740 0.000 0.000 0.218 2 N C -0.136 175.324 175.510 -0.084 0.000 1.182 2 N CA 0.368 53.385 53.050 -0.054 0.000 0.882 2 N CB 1.529 39.990 38.487 -0.044 0.000 1.052 2 N HN 0.394 nan 8.380 nan 0.000 0.519 3 A N 2.828 125.593 122.820 -0.092 0.000 2.454 3 A HA 0.330 4.650 4.320 0.000 0.000 0.260 3 A C -1.754 175.755 177.584 -0.124 0.000 1.106 3 A CA -0.764 51.201 52.037 -0.119 0.000 0.780 3 A CB -0.093 18.846 19.000 -0.103 0.000 1.044 3 A HN 0.068 nan 8.150 nan 0.000 0.498 4 P HA 0.177 nan 4.420 nan 0.000 0.274 4 P C -0.780 176.370 177.300 -0.251 0.000 1.231 4 P CA -0.469 62.528 63.100 -0.171 0.000 0.790 4 P CB 0.610 32.230 31.700 -0.132 0.000 0.951 5 D N 2.310 122.471 120.400 -0.400 0.000 2.488 5 D HA -0.026 4.614 4.640 0.000 0.000 0.238 5 D C 1.583 177.509 176.300 -0.623 0.000 1.138 5 D CA -0.070 53.566 54.000 -0.607 0.000 0.873 5 D CB 0.965 41.007 40.800 -1.265 0.000 1.183 5 D HN 0.254 nan 8.370 nan 0.000 0.458 6 R N 1.874 122.158 120.500 -0.360 0.000 2.091 6 R HA -0.153 4.187 4.340 0.000 0.000 0.238 6 R C 2.138 178.274 176.300 -0.272 0.000 1.136 6 R CA 0.965 56.954 56.100 -0.184 0.000 0.959 6 R CB -0.698 29.610 30.300 0.014 0.000 0.856 6 R HN 0.605 nan 8.270 nan 0.000 0.437 7 F N 1.105 120.901 119.950 -0.258 0.000 2.449 7 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 7 F C 1.272 176.557 175.800 -0.860 0.000 1.092 7 F CA 0.561 58.091 58.000 -0.782 0.000 1.446 7 F CB -0.757 38.006 39.000 -0.395 0.000 1.084 7 F HN -0.025 nan 8.300 nan 0.000 0.567 8 E N 0.808 120.657 120.200 -0.584 0.000 2.478 8 E HA -0.048 4.302 4.350 0.000 0.000 0.198 8 E C 2.040 178.515 176.600 -0.207 0.000 1.046 8 E CA 0.412 56.630 56.400 -0.303 0.000 0.870 8 E CB -0.218 29.291 29.700 -0.318 0.000 0.818 8 E HN 0.553 nan 8.360 nan 0.000 0.527 9 L N -0.282 120.789 121.223 -0.253 0.000 2.156 9 L HA -0.094 4.246 4.340 0.000 0.000 0.208 9 L C 1.816 178.758 176.870 0.119 0.000 1.095 9 L CA 1.043 55.889 54.840 0.009 0.000 0.770 9 L CB -0.098 42.073 42.059 0.187 0.000 0.914 9 L HN 0.260 nan 8.230 nan 0.000 0.439 10 F N -3.181 116.835 119.950 0.109 0.000 2.819 10 F HA 0.329 4.856 4.527 0.000 0.000 0.325 10 F C 0.632 176.488 175.800 0.092 0.000 1.041 10 F CA -0.725 57.332 58.000 0.095 0.000 1.184 10 F CB -0.212 38.839 39.000 0.085 0.000 1.019 10 F HN -0.343 nan 8.300 nan 0.000 0.590 11 L N 3.564 124.732 121.223 -0.092 0.000 2.313 11 L HA 0.240 4.580 4.340 0.000 0.000 0.282 11 L C -0.359 176.526 176.870 0.026 0.000 1.092 11 L CA -0.777 54.080 54.840 0.027 0.000 0.831 11 L CB 1.034 43.075 42.059 -0.030 0.000 1.159 11 L HN 0.080 nan 8.230 nan 0.000 0.442 12 L N 3.730 124.973 121.223 0.034 0.000 2.562 12 L HA 0.128 4.468 4.340 0.000 0.000 0.271 12 L C 1.011 177.883 176.870 0.003 0.000 1.167 12 L CA 0.646 55.493 54.840 0.012 0.000 0.917 12 L CB 0.559 42.620 42.059 0.004 0.000 1.187 12 L HN 0.616 nan 8.230 nan 0.000 0.482 13 G N 3.208 112.008 108.800 -0.001 0.000 2.594 13 G HA2 0.067 4.027 3.960 0.000 0.000 0.243 13 G HA3 0.067 4.027 3.960 0.000 0.000 0.243 13 G C -0.156 174.737 174.900 -0.012 0.000 1.229 13 G CA -0.613 44.488 45.100 0.002 0.000 0.843 13 G HN 0.754 nan 8.290 nan 0.000 0.578 14 E N 0.234 120.427 120.200 -0.010 0.000 3.490 14 E HA 0.066 4.416 4.350 0.000 0.000 0.232 14 E C 1.109 177.696 176.600 -0.023 0.000 0.943 14 E CA 0.716 57.106 56.400 -0.017 0.000 0.933 14 E CB -0.860 28.831 29.700 -0.015 0.000 0.890 14 E HN 1.368 nan 8.360 nan 0.000 0.576 15 G N 3.995 112.781 108.800 -0.024 0.000 2.392 15 G HA2 -0.272 3.688 3.960 0.000 0.000 0.290 15 G HA3 -0.272 3.688 3.960 0.000 0.000 0.290 15 G C -0.520 174.361 174.900 -0.033 0.000 1.032 15 G CA 0.557 45.641 45.100 -0.027 0.000 1.269 15 G HN 0.607 nan 8.290 nan 0.000 0.511 16 E N -0.395 119.784 120.200 -0.034 0.000 2.408 16 E HA 0.678 5.028 4.350 0.000 0.000 0.275 16 E C -0.557 176.015 176.600 -0.046 0.000 0.935 16 E CA -0.887 55.488 56.400 -0.043 0.000 0.775 16 E CB 1.969 31.643 29.700 -0.043 0.000 1.277 16 E HN 0.203 nan 8.360 nan 0.000 0.455 17 S N 0.981 116.645 115.700 -0.061 0.000 2.568 17 S HA 0.239 4.709 4.470 0.000 0.000 0.302 17 S C 0.695 175.236 174.600 -0.099 0.000 1.082 17 S CA -0.864 57.292 58.200 -0.073 0.000 1.009 17 S CB 1.643 64.794 63.200 -0.081 0.000 1.069 17 S HN 0.372 nan 8.310 nan 0.000 0.500 18 K N 0.795 121.130 120.400 -0.107 0.000 2.009 18 K HA 0.029 4.349 4.320 0.000 0.000 0.210 18 K C 0.503 176.942 176.600 -0.269 0.000 1.049 18 K CA 1.410 57.609 56.287 -0.146 0.000 0.929 18 K CB -0.419 32.002 32.500 -0.130 0.000 0.714 18 K HN 0.529 nan 8.250 nan 0.000 0.440 19 L N 0.476 121.524 121.223 -0.291 0.000 2.334 19 L HA 0.405 4.745 4.340 0.000 0.000 0.272 19 L C 0.103 176.839 176.870 -0.222 0.000 1.020 19 L CA -0.728 53.884 54.840 -0.380 0.000 0.812 19 L CB 1.440 43.238 42.059 -0.435 0.000 1.264 19 L HN -0.086 nan 8.230 nan 0.000 0.439 20 K N 3.110 123.391 120.400 -0.198 0.000 2.652 20 K HA 0.476 4.796 4.320 0.000 0.000 0.249 20 K C -1.742 174.806 176.600 -0.086 0.000 0.986 20 K CA -0.360 55.861 56.287 -0.111 0.000 0.867 20 K CB 1.548 34.000 32.500 -0.081 0.000 1.201 20 K HN 0.566 nan 8.250 nan 0.000 0.450 21 I N 3.694 124.225 120.570 -0.065 0.000 2.321 21 I HA 0.275 4.445 4.170 0.000 0.000 0.291 21 I C -0.570 175.539 176.117 -0.013 0.000 0.998 21 I CA -0.564 60.716 61.300 -0.033 0.000 1.227 21 I CB 1.403 39.382 38.000 -0.035 0.000 1.368 21 I HN 0.398 nan 8.210 nan 0.000 0.466 22 D N 8.333 128.737 120.400 0.006 0.000 2.629 22 D HA 0.276 4.916 4.640 0.000 0.000 0.250 22 D C -2.502 173.809 176.300 0.018 0.000 1.126 22 D CA -1.180 52.826 54.000 0.009 0.000 0.852 22 D CB 2.550 43.356 40.800 0.010 0.000 1.335 22 D HN 0.238 nan 8.370 nan 0.000 0.518 23 P HA -0.028 nan 4.420 nan 0.000 0.264 23 P C -0.085 177.222 177.300 0.012 0.000 1.229 23 P CA -0.076 63.031 63.100 0.012 0.000 0.780 23 P CB 0.759 32.462 31.700 0.006 0.000 0.808 24 D N 3.612 124.022 120.400 0.015 0.000 2.401 24 D HA -0.012 4.628 4.640 0.000 0.000 0.254 24 D C 1.124 177.422 176.300 -0.004 0.000 1.192 24 D CA 0.324 54.328 54.000 0.007 0.000 0.885 24 D CB 0.944 41.747 40.800 0.004 0.000 1.147 24 D HN 0.307 nan 8.370 nan 0.000 0.478 25 T N 2.119 116.669 114.554 -0.007 0.000 2.985 25 T HA -0.089 4.261 4.350 0.000 0.000 0.266 25 T C 1.695 176.384 174.700 -0.018 0.000 1.076 25 T CA 0.224 62.318 62.100 -0.009 0.000 1.135 25 T CB 0.229 69.093 68.868 -0.007 0.000 0.890 25 T HN 0.262 nan 8.240 nan 0.000 0.480 26 K N 2.773 123.157 120.400 -0.026 0.000 2.015 26 K HA 0.076 4.396 4.320 0.000 0.000 0.216 26 K C 1.289 177.864 176.600 -0.042 0.000 1.052 26 K CA 1.585 57.848 56.287 -0.039 0.000 0.937 26 K CB -0.994 31.471 32.500 -0.057 0.000 0.719 26 K HN 0.608 nan 8.250 nan 0.000 0.446 27 A N 1.891 124.681 122.820 -0.051 0.000 2.354 27 A HA 0.525 4.845 4.320 0.000 0.000 0.321 27 A C -2.489 175.080 177.584 -0.024 0.000 1.125 27 A CA -1.656 50.354 52.037 -0.045 0.000 0.799 27 A CB 1.190 20.145 19.000 -0.075 0.000 1.293 27 A HN 0.005 nan 8.150 nan 0.000 0.452 28 P HA 0.084 nan 4.420 nan 0.000 0.278 28 P C -0.342 176.963 177.300 0.009 0.000 1.238 28 P CA -0.104 62.997 63.100 0.001 0.000 0.794 28 P CB 0.584 32.287 31.700 0.005 0.000 0.955 29 N N 0.605 119.313 118.700 0.013 0.000 2.642 29 N HA -0.185 4.555 4.740 0.000 0.000 0.269 29 N C -1.323 174.200 175.510 0.022 0.000 1.073 29 N CA 1.198 54.259 53.050 0.018 0.000 0.748 29 N CB -1.297 37.206 38.487 0.027 0.000 0.894 29 N HN 0.746 nan 8.380 nan 0.000 0.548 30 A N 0.206 123.039 122.820 0.021 0.000 2.594 30 A HA 0.726 5.046 4.320 0.000 0.000 0.296 30 A C -0.934 176.672 177.584 0.037 0.000 1.061 30 A CA -0.295 51.765 52.037 0.038 0.000 0.689 30 A CB 1.911 20.930 19.000 0.031 0.000 1.280 30 A HN 0.257 nan 8.150 nan 0.000 0.406 31 V N 0.226 120.176 119.914 0.060 0.000 3.181 31 V HA 0.713 4.833 4.120 0.000 0.000 0.308 31 V C -0.846 175.306 176.094 0.097 0.000 1.214 31 V CA -0.694 61.641 62.300 0.059 0.000 1.053 31 V CB 2.279 34.127 31.823 0.042 0.000 1.069 31 V HN 0.927 nan 8.190 nan 0.000 0.441 32 V N 2.962 122.930 119.914 0.090 0.000 2.407 32 V HA 0.538 4.658 4.120 0.000 0.000 0.291 32 V C -0.572 175.593 176.094 0.119 0.000 1.018 32 V CA -0.283 62.093 62.300 0.126 0.000 0.842 32 V CB 1.504 33.393 31.823 0.109 0.000 0.996 32 V HN 0.631 nan 8.190 nan 0.000 0.426 33 I N 3.331 124.011 120.570 0.184 0.000 2.354 33 I HA 0.371 4.541 4.170 0.000 0.000 0.292 33 I C 0.365 176.609 176.117 0.213 0.000 0.989 33 I CA -0.181 61.205 61.300 0.143 0.000 1.188 33 I CB 1.828 39.935 38.000 0.178 0.000 1.342 33 I HN 0.437 nan 8.210 nan 0.000 0.457 34 T N 6.609 121.191 114.554 0.046 0.000 2.733 34 T HA 0.391 4.741 4.350 0.000 0.000 0.294 34 T C -0.403 174.232 174.700 -0.109 0.000 0.956 34 T CA -0.153 61.974 62.100 0.046 0.000 0.987 34 T CB -0.104 68.764 68.868 0.000 0.000 0.920 34 T HN 0.108 nan 8.240 nan 0.000 0.470 35 F N 3.540 123.259 119.950 -0.385 0.000 2.375 35 F HA 0.304 4.831 4.527 -0.000 0.000 0.362 35 F C 1.065 176.622 175.800 -0.405 0.000 1.129 35 F CA -1.000 56.685 58.000 -0.525 0.000 1.154 35 F CB 0.531 38.844 39.000 -1.145 0.000 1.205 35 F HN 0.332 nan 8.300 nan 0.000 0.513 36 E N 3.959 124.081 120.200 -0.130 0.000 2.331 36 E HA 0.124 4.474 4.350 0.000 0.000 0.272 36 E C 0.131 176.721 176.600 -0.017 0.000 1.036 36 E CA -0.306 56.054 56.400 -0.067 0.000 0.864 36 E CB 0.706 30.368 29.700 -0.064 0.000 1.035 36 E HN 0.291 nan 8.360 nan 0.000 0.408 37 K N 2.095 122.508 120.400 0.022 0.000 3.974 37 K HA -0.195 4.125 4.320 0.000 0.000 0.280 37 K C -0.315 176.351 176.600 0.110 0.000 0.949 37 K CA 0.838 57.170 56.287 0.074 0.000 0.817 37 K CB -0.987 31.556 32.500 0.072 0.000 1.535 37 K HN 0.487 nan 8.250 nan 0.000 0.444 38 E N 0.234 120.505 120.200 0.118 0.000 2.423 38 E HA 0.365 4.715 4.350 0.000 0.000 0.280 38 E C -0.257 176.519 176.600 0.292 0.000 1.030 38 E CA -0.508 56.005 56.400 0.188 0.000 0.812 38 E CB 1.873 31.666 29.700 0.154 0.000 1.313 38 E HN 0.337 nan 8.360 nan 0.000 0.456 39 D N -1.253 119.352 120.400 0.342 0.000 2.989 39 D HA 0.202 4.842 4.640 0.000 0.000 0.284 39 D C 0.963 177.314 176.300 0.085 0.000 1.212 39 D CA -0.278 53.860 54.000 0.231 0.000 1.055 39 D CB -0.054 40.804 40.800 0.098 0.000 1.351 39 D HN 0.325 nan 8.370 nan 0.000 0.611 40 H N -0.029 119.076 119.070 0.058 0.000 2.353 40 H HA -0.094 4.462 4.556 0.000 0.000 0.298 40 H C 1.687 176.909 175.328 -0.178 0.000 1.103 40 H CA 2.318 58.310 56.048 -0.094 0.000 1.293 40 H CB -0.723 29.041 29.762 0.004 0.000 1.372 40 H HN 0.459 nan 8.280 nan 0.000 0.501 41 T N 1.275 115.866 114.554 0.062 0.000 2.635 41 T HA -0.219 4.131 4.350 0.000 0.000 0.265 41 T C 2.301 176.963 174.700 -0.064 0.000 1.058 41 T CA 1.895 63.998 62.100 0.004 0.000 1.162 41 T CB -0.475 68.415 68.868 0.036 0.000 0.859 41 T HN 0.078 nan 8.240 nan 0.000 0.449 42 L N 0.053 121.250 121.223 -0.043 0.000 2.102 42 L HA 0.253 4.593 4.340 0.000 0.000 0.202 42 L C 2.709 179.359 176.870 -0.366 0.000 1.076 42 L CA 1.538 56.337 54.840 -0.069 0.000 0.761 42 L CB -1.134 41.016 42.059 0.152 0.000 0.921 42 L HN 0.341 nan 8.230 nan 0.000 0.444 43 G N -0.418 107.886 108.800 -0.826 0.000 2.628 43 G HA2 -0.442 3.518 3.960 0.000 0.000 0.217 43 G HA3 -0.442 3.518 3.960 0.000 0.000 0.217 43 G C 1.435 175.445 174.900 -1.485 0.000 1.240 43 G CA 1.222 45.260 45.100 -1.770 0.000 0.792 43 G HN 0.442 nan 8.290 nan 0.000 0.593 44 N N 0.067 118.008 118.700 -1.265 0.000 2.094 44 N HA -0.120 4.620 4.740 0.000 0.000 0.191 44 N C 2.097 177.363 175.510 -0.406 0.000 1.023 44 N CA 1.427 54.065 53.050 -0.687 0.000 0.857 44 N CB -0.348 37.971 38.487 -0.279 0.000 1.013 44 N HN 0.247 nan 8.380 nan 0.000 0.426 45 L N 0.458 121.480 121.223 -0.334 0.000 2.056 45 L HA 0.076 4.416 4.340 0.000 0.000 0.207 45 L C 1.884 178.643 176.870 -0.185 0.000 1.078 45 L CA 1.471 56.190 54.840 -0.202 0.000 0.749 45 L CB -0.483 41.490 42.059 -0.142 0.000 0.901 45 L HN 0.291 nan 8.230 nan 0.000 0.433 46 I N -1.207 119.222 120.570 -0.236 0.000 2.676 46 I HA -0.153 4.017 4.170 0.000 0.000 0.259 46 I C 2.468 178.485 176.117 -0.166 0.000 1.194 46 I CA 0.301 61.505 61.300 -0.161 0.000 1.473 46 I CB -0.429 37.478 38.000 -0.157 0.000 1.096 46 I HN 0.242 nan 8.210 nan 0.000 0.443 47 R N 1.612 121.955 120.500 -0.261 0.000 2.073 47 R HA -0.030 4.310 4.340 0.000 0.000 0.229 47 R C 2.253 178.477 176.300 -0.127 0.000 1.120 47 R CA 1.714 57.700 56.100 -0.191 0.000 0.967 47 R CB -0.529 29.641 30.300 -0.217 0.000 0.862 47 R HN 0.330 nan 8.270 nan 0.000 0.436 48 A N 1.375 124.118 122.820 -0.128 0.000 1.845 48 A HA -0.134 4.186 4.320 0.000 0.000 0.215 48 A C 2.047 179.593 177.584 -0.063 0.000 1.195 48 A CA 1.380 53.366 52.037 -0.086 0.000 0.616 48 A CB -0.544 18.406 19.000 -0.084 0.000 0.832 48 A HN 0.262 nan 8.150 nan 0.000 0.443 49 E N -0.109 120.056 120.200 -0.058 0.000 2.070 49 E HA -0.188 4.162 4.350 0.000 0.000 0.197 49 E C 1.983 178.572 176.600 -0.017 0.000 1.004 49 E CA 0.990 57.372 56.400 -0.030 0.000 0.805 49 E CB -0.517 29.171 29.700 -0.021 0.000 0.744 49 E HN 0.618 nan 8.360 nan 0.000 0.451 50 L N 0.121 121.328 121.223 -0.028 0.000 2.261 50 L HA -0.181 4.159 4.340 0.000 0.000 0.216 50 L C 1.613 178.472 176.870 -0.018 0.000 1.114 50 L CA 0.318 55.149 54.840 -0.015 0.000 0.777 50 L CB -0.009 42.032 42.059 -0.029 0.000 0.910 50 L HN 0.074 nan 8.230 nan 0.000 0.440 51 L N -0.209 120.992 121.223 -0.036 0.000 2.737 51 L HA 0.075 4.415 4.340 0.000 0.000 0.236 51 L C 1.163 178.025 176.870 -0.014 0.000 1.219 51 L CA 0.627 55.444 54.840 -0.038 0.000 1.021 51 L CB -0.646 41.377 42.059 -0.060 0.000 1.291 51 L HN 0.202 nan 8.230 nan 0.000 0.470 52 N N -1.702 117.000 118.700 0.003 0.000 2.529 52 N HA 0.006 4.746 4.740 0.000 0.000 0.231 52 N C 0.265 175.794 175.510 0.032 0.000 1.072 52 N CA -0.003 53.054 53.050 0.012 0.000 0.854 52 N CB 0.343 38.836 38.487 0.009 0.000 1.465 52 N HN 0.181 nan 8.380 nan 0.000 0.452 53 D N 2.801 123.234 120.400 0.054 0.000 2.419 53 D HA -0.069 4.571 4.640 0.000 0.000 0.281 53 D C 0.894 177.252 176.300 0.096 0.000 1.398 53 D CA 0.081 54.140 54.000 0.098 0.000 1.047 53 D CB 0.438 41.338 40.800 0.166 0.000 1.115 53 D HN -0.081 nan 8.370 nan 0.000 0.540 54 R N 2.863 123.401 120.500 0.063 0.000 2.355 54 R HA -0.131 4.209 4.340 0.000 0.000 0.219 54 R C 1.006 177.354 176.300 0.081 0.000 1.107 54 R CA 0.682 56.815 56.100 0.054 0.000 1.021 54 R CB -0.017 30.300 30.300 0.028 0.000 0.852 54 R HN 0.463 nan 8.270 nan 0.000 0.475 55 K N -0.353 120.129 120.400 0.136 0.000 2.387 55 K HA 0.143 4.463 4.320 0.000 0.000 0.198 55 K C -0.051 176.709 176.600 0.268 0.000 1.022 55 K CA 0.008 56.424 56.287 0.215 0.000 1.128 55 K CB 0.930 33.575 32.500 0.242 0.000 0.853 55 K HN -0.186 nan 8.250 nan 0.000 0.523 56 V N 2.532 122.550 119.914 0.174 0.000 2.304 56 V HA 0.116 4.236 4.120 0.000 0.000 0.269 56 V C 0.962 177.113 176.094 0.096 0.000 1.036 56 V CA -0.219 62.148 62.300 0.113 0.000 0.840 56 V CB 0.797 32.662 31.823 0.070 0.000 1.036 56 V HN 0.293 nan 8.190 nan 0.000 0.466 57 L N 4.549 125.843 121.223 0.119 0.000 2.275 57 L HA 0.131 4.471 4.340 0.000 0.000 0.215 57 L C 0.428 177.421 176.870 0.205 0.000 1.119 57 L CA 1.455 56.377 54.840 0.136 0.000 0.790 57 L CB -0.117 42.020 42.059 0.131 0.000 0.919 57 L HN 0.544 nan 8.230 nan 0.000 0.443 58 F N -0.529 119.440 119.950 0.031 0.000 2.665 58 F HA 0.659 5.186 4.527 -0.000 0.000 0.308 58 F C -1.490 174.330 175.800 0.033 0.000 1.112 58 F CA -0.840 57.177 58.000 0.029 0.000 0.972 58 F CB 1.526 40.542 39.000 0.027 0.000 1.295 58 F HN -0.332 nan 8.300 nan 0.000 0.440 59 A N 3.634 125.805 122.820 -1.082 0.000 2.508 59 A HA 0.829 5.149 4.320 0.000 0.000 0.297 59 A C -1.857 175.331 177.584 -0.659 0.000 1.036 59 A CA 0.178 51.854 52.037 -0.601 0.000 0.957 59 A CB 0.354 19.212 19.000 -0.236 0.000 1.428 59 A HN 1.910 nan 8.150 nan 0.000 0.393 60 A N 1.405 123.986 122.820 -0.398 0.000 2.583 60 A HA 1.052 5.372 4.320 0.000 0.000 0.289 60 A C -1.183 176.481 177.584 0.133 0.000 1.151 60 A CA -0.230 51.730 52.037 -0.127 0.000 0.695 60 A CB 1.267 20.212 19.000 -0.091 0.000 1.290 60 A HN 2.233 nan 8.150 nan 0.000 0.419 61 Y N -0.569 119.706 120.300 -0.042 0.000 2.558 61 Y HA 0.695 5.245 4.550 -0.000 0.000 0.333 61 Y C -1.107 174.792 175.900 -0.002 0.000 1.125 61 Y CA -0.867 57.223 58.100 -0.017 0.000 1.039 61 Y CB 1.315 39.670 38.460 -0.175 0.000 1.331 61 Y HN 0.900 nan 8.280 nan 0.000 0.456 62 K N 2.464 122.690 120.400 -0.290 0.000 2.477 62 K HA 0.730 5.050 4.320 0.000 0.000 0.255 62 K C -1.565 175.008 176.600 -0.044 0.000 0.952 62 K CA -1.050 55.041 56.287 -0.326 0.000 0.826 62 K CB 2.933 35.359 32.500 -0.122 0.000 1.331 62 K HN 0.924 nan 8.250 nan 0.000 0.437 63 V N 0.308 120.195 119.914 -0.046 0.000 2.270 63 V HA 0.204 4.324 4.120 0.000 0.000 0.263 63 V C 1.068 177.200 176.094 0.063 0.000 1.066 63 V CA -0.535 61.807 62.300 0.071 0.000 0.857 63 V CB 0.651 32.459 31.823 -0.025 0.000 1.099 63 V HN 0.868 nan 8.190 nan 0.000 0.476 64 E N 2.491 122.761 120.200 0.117 0.000 2.181 64 E HA -0.286 4.064 4.350 0.000 0.000 0.225 64 E C 0.593 177.262 176.600 0.115 0.000 1.073 64 E CA 2.822 59.294 56.400 0.120 0.000 0.916 64 E CB -0.141 29.663 29.700 0.174 0.000 0.793 64 E HN 1.073 nan 8.360 nan 0.000 0.472 65 H N -1.875 117.188 119.070 -0.011 0.000 3.087 65 H HA 0.115 4.671 4.556 0.000 0.000 0.348 65 H C -2.087 173.139 175.328 -0.170 0.000 1.092 65 H CA -0.970 54.986 56.048 -0.154 0.000 1.285 65 H CB 2.043 31.640 29.762 -0.276 0.000 1.875 65 H HN -0.227 nan 8.280 nan 0.000 0.512 66 P HA -0.257 nan 4.420 nan 0.000 0.218 66 P C 1.384 178.756 177.300 0.120 0.000 1.154 66 P CA 1.533 64.538 63.100 -0.159 0.000 0.872 66 P CB -0.036 31.516 31.700 -0.247 0.000 0.790 67 F N -1.209 118.740 119.950 -0.002 0.000 2.225 67 F HA -0.127 4.400 4.527 0.000 0.000 0.302 67 F C 1.113 176.831 175.800 -0.138 0.000 1.068 67 F CA 0.187 58.053 58.000 -0.224 0.000 1.327 67 F CB -0.408 38.160 39.000 -0.720 0.000 1.043 67 F HN -0.152 nan 8.300 nan 0.000 0.506 68 F N -0.232 119.922 119.950 0.341 0.000 2.449 68 F HA 0.510 5.037 4.527 -0.000 0.000 0.342 68 F C 0.252 176.130 175.800 0.131 0.000 1.127 68 F CA -1.420 56.687 58.000 0.178 0.000 0.975 68 F CB 1.071 40.155 39.000 0.140 0.000 1.146 68 F HN -0.348 nan 8.300 nan 0.000 0.444 69 A N 5.458 128.451 122.820 0.289 0.000 2.655 69 A HA 0.585 4.905 4.320 0.000 0.000 0.297 69 A C -0.039 177.645 177.584 0.167 0.000 1.461 69 A CA -0.166 51.989 52.037 0.196 0.000 1.146 69 A CB -0.600 18.496 19.000 0.160 0.000 1.108 69 A HN 0.936 nan 8.150 nan 0.000 0.550 70 R N 0.757 121.367 120.500 0.185 0.000 3.197 70 R HA 0.571 4.911 4.340 0.000 0.000 0.261 70 R C -1.146 175.273 176.300 0.199 0.000 1.015 70 R CA -0.772 55.390 56.100 0.104 0.000 0.949 70 R CB 0.187 30.537 30.300 0.084 0.000 1.256 70 R HN 0.868 nan 8.270 nan 0.000 0.514 71 F N -0.949 119.108 119.950 0.179 0.000 2.643 71 F HA 0.720 5.247 4.527 0.000 0.000 0.314 71 F C -1.283 174.654 175.800 0.228 0.000 1.096 71 F CA -1.319 56.785 58.000 0.173 0.000 0.953 71 F CB 1.895 41.003 39.000 0.180 0.000 1.345 71 F HN 0.421 nan 8.300 nan 0.000 0.468 72 K N 1.775 122.477 120.400 0.503 0.000 2.164 72 K HA 0.687 5.007 4.320 0.000 0.000 0.258 72 K C -1.814 175.085 176.600 0.499 0.000 0.951 72 K CA -0.953 55.575 56.287 0.402 0.000 0.844 72 K CB 2.552 35.199 32.500 0.245 0.000 1.099 72 K HN 0.729 nan 8.250 nan 0.000 0.435 73 L N 2.568 124.074 121.223 0.470 0.000 2.349 73 L HA 0.391 4.731 4.340 0.000 0.000 0.278 73 L C -0.885 176.168 176.870 0.305 0.000 0.996 73 L CA -0.374 54.700 54.840 0.389 0.000 0.825 73 L CB 1.422 43.712 42.059 0.386 0.000 1.243 73 L HN 0.530 nan 8.230 nan 0.000 0.412 74 R N 5.822 126.492 120.500 0.282 0.000 2.295 74 R HA 0.680 5.020 4.340 0.000 0.000 0.324 74 R C -1.385 175.102 176.300 0.312 0.000 0.968 74 R CA -0.449 55.834 56.100 0.304 0.000 0.837 74 R CB 0.718 31.252 30.300 0.390 0.000 1.133 74 R HN 0.737 nan 8.270 nan 0.000 0.450 75 I N 3.699 124.410 120.570 0.235 0.000 2.465 75 I HA 0.282 4.452 4.170 0.000 0.000 0.291 75 I C -0.617 175.604 176.117 0.172 0.000 1.014 75 I CA -0.818 60.589 61.300 0.179 0.000 1.093 75 I CB 2.138 40.192 38.000 0.090 0.000 1.267 75 I HN 0.552 nan 8.210 nan 0.000 0.431 76 Q N 5.301 125.221 119.800 0.201 0.000 2.337 76 Q HA 0.653 4.993 4.340 0.000 0.000 0.270 76 Q C -1.260 174.799 176.000 0.100 0.000 1.043 76 Q CA -0.529 55.364 55.803 0.150 0.000 0.794 76 Q CB 2.251 31.113 28.738 0.206 0.000 1.281 76 Q HN 0.788 nan 8.270 nan 0.000 0.446 77 T N -0.328 114.256 114.554 0.049 0.000 2.906 77 T HA 0.561 4.911 4.350 0.000 0.000 0.295 77 T C 0.143 174.905 174.700 0.103 0.000 1.075 77 T CA -0.419 61.717 62.100 0.060 0.000 1.005 77 T CB 1.269 70.087 68.868 -0.083 0.000 1.136 77 T HN 0.712 nan 8.240 nan 0.000 0.498 78 T N -0.179 114.471 114.554 0.159 0.000 2.856 78 T HA 0.213 4.563 4.350 0.000 0.000 0.329 78 T C 0.387 175.169 174.700 0.136 0.000 1.094 78 T CA -0.481 61.699 62.100 0.134 0.000 1.112 78 T CB 0.075 69.022 68.868 0.131 0.000 1.009 78 T HN 0.844 nan 8.240 nan 0.000 0.550 79 E N 0.572 120.828 120.200 0.093 0.000 2.458 79 E HA 0.327 4.677 4.350 0.000 0.000 0.264 79 E C 1.665 178.328 176.600 0.104 0.000 1.097 79 E CA 1.384 57.833 56.400 0.082 0.000 0.973 79 E CB -0.528 29.205 29.700 0.055 0.000 0.963 79 E HN 1.104 nan 8.360 nan 0.000 0.451 80 G N 2.265 111.120 108.800 0.093 0.000 2.412 80 G HA2 -0.363 3.597 3.960 0.000 0.000 0.252 80 G HA3 -0.363 3.597 3.960 0.000 0.000 0.252 80 G C 0.184 175.185 174.900 0.169 0.000 1.038 80 G CA 0.736 45.895 45.100 0.099 0.000 0.628 80 G HN 0.624 nan 8.290 nan 0.000 0.531 81 Y N 2.280 122.594 120.300 0.023 0.000 2.327 81 Y HA 0.488 5.038 4.550 0.000 0.000 0.336 81 Y C -0.056 175.861 175.900 0.029 0.000 1.035 81 Y CA -0.904 57.211 58.100 0.025 0.000 1.165 81 Y CB 0.862 39.338 38.460 0.027 0.000 1.181 81 Y HN 0.223 nan 8.280 nan 0.000 0.494 82 D N 8.496 128.942 120.400 0.075 0.000 2.255 82 D HA 0.112 4.752 4.640 0.000 0.000 0.249 82 D C -1.886 174.206 176.300 -0.346 0.000 1.078 82 D CA -2.106 51.839 54.000 -0.092 0.000 0.896 82 D CB 2.257 43.052 40.800 -0.008 0.000 1.194 82 D HN 0.350 nan 8.370 nan 0.000 0.429 83 P HA -0.127 nan 4.420 nan 0.000 0.216 83 P C 0.995 178.201 177.300 -0.158 0.000 1.153 83 P CA 1.041 63.994 63.100 -0.245 0.000 0.844 83 P CB 0.495 32.135 31.700 -0.100 0.000 0.787 84 K N -0.204 120.145 120.400 -0.084 0.000 2.127 84 K HA -0.175 4.145 4.320 0.000 0.000 0.208 84 K C 1.924 178.505 176.600 -0.032 0.000 1.047 84 K CA 1.747 58.012 56.287 -0.036 0.000 0.927 84 K CB -0.512 31.976 32.500 -0.020 0.000 0.716 84 K HN 0.169 nan 8.250 nan 0.000 0.450 85 D N 0.503 120.872 120.400 -0.052 0.000 2.097 85 D HA -0.113 4.527 4.640 0.000 0.000 0.197 85 D C 1.977 178.283 176.300 0.009 0.000 0.984 85 D CA 1.296 55.306 54.000 0.017 0.000 0.826 85 D CB -0.218 40.652 40.800 0.117 0.000 0.973 85 D HN 0.192 nan 8.370 nan 0.000 0.460 86 A N 1.281 123.996 122.820 -0.174 0.000 1.903 86 A HA -0.220 4.100 4.320 0.000 0.000 0.219 86 A C 2.201 179.789 177.584 0.006 0.000 1.191 86 A CA 1.414 53.385 52.037 -0.111 0.000 0.638 86 A CB -0.873 17.938 19.000 -0.315 0.000 0.823 86 A HN 0.259 nan 8.150 nan 0.000 0.451 87 L N -0.202 121.021 121.223 0.000 0.000 2.012 87 L HA -0.180 4.160 4.340 0.000 0.000 0.210 87 L C 2.246 179.154 176.870 0.064 0.000 1.073 87 L CA 2.407 57.280 54.840 0.055 0.000 0.748 87 L CB -0.665 41.442 42.059 0.080 0.000 0.891 87 L HN 0.404 nan 8.230 nan 0.000 0.431 88 K N -0.287 120.145 120.400 0.053 0.000 1.987 88 K HA -0.206 4.114 4.320 0.000 0.000 0.216 88 K C 1.880 178.517 176.600 0.061 0.000 1.051 88 K CA 1.852 58.173 56.287 0.056 0.000 0.942 88 K CB -0.543 31.988 32.500 0.053 0.000 0.722 88 K HN 0.467 nan 8.250 nan 0.000 0.444 89 N N 1.218 119.963 118.700 0.075 0.000 2.007 89 N HA -0.235 4.505 4.740 0.000 0.000 0.197 89 N C 1.956 177.501 175.510 0.059 0.000 1.050 89 N CA 1.731 54.826 53.050 0.075 0.000 0.856 89 N CB -0.799 37.752 38.487 0.108 0.000 1.050 89 N HN 0.243 nan 8.380 nan 0.000 0.423 90 A N 1.149 124.005 122.820 0.061 0.000 2.009 90 A HA -0.238 4.082 4.320 0.000 0.000 0.222 90 A C 2.755 180.360 177.584 0.035 0.000 1.175 90 A CA 1.850 53.912 52.037 0.042 0.000 0.651 90 A CB -1.170 17.852 19.000 0.035 0.000 0.815 90 A HN 0.530 nan 8.150 nan 0.000 0.459 91 C N -0.684 118.645 119.300 0.047 0.000 2.508 91 C HA -0.064 4.396 4.460 0.000 0.000 0.280 91 C C 2.682 177.693 174.990 0.036 0.000 1.262 91 C CA 0.856 59.902 59.018 0.047 0.000 1.706 91 C CB -1.479 26.298 27.740 0.062 0.000 2.078 91 C HN 0.686 nan 8.230 nan 0.000 0.480 92 N N 1.141 119.863 118.700 0.037 0.000 2.036 92 N HA -0.174 4.566 4.740 0.000 0.000 0.195 92 N C 1.923 177.447 175.510 0.024 0.000 1.037 92 N CA 1.844 54.912 53.050 0.030 0.000 0.855 92 N CB -0.894 37.612 38.487 0.032 0.000 1.033 92 N HN 0.519 nan 8.380 nan 0.000 0.423 93 S N 1.169 116.885 115.700 0.026 0.000 2.378 93 S HA -0.157 4.313 4.470 0.000 0.000 0.229 93 S C 2.085 176.693 174.600 0.013 0.000 1.052 93 S CA 1.162 59.374 58.200 0.020 0.000 1.084 93 S CB -0.357 62.856 63.200 0.022 0.000 0.950 93 S HN 0.266 nan 8.310 nan 0.000 0.440 94 I N 1.023 121.599 120.570 0.011 0.000 2.127 94 I HA -0.200 3.970 4.170 0.000 0.000 0.241 94 I C 2.312 178.432 176.117 0.005 0.000 1.075 94 I CA 1.573 62.875 61.300 0.003 0.000 1.334 94 I CB -0.524 37.475 38.000 -0.001 0.000 1.040 94 I HN 0.362 nan 8.210 nan 0.000 0.405 95 I N 0.891 121.468 120.570 0.011 0.000 2.127 95 I HA -0.343 3.827 4.170 0.000 0.000 0.241 95 I C 2.360 178.483 176.117 0.010 0.000 1.075 95 I CA 1.461 62.768 61.300 0.011 0.000 1.334 95 I CB -0.709 37.300 38.000 0.016 0.000 1.040 95 I HN 0.333 nan 8.210 nan 0.000 0.405 96 N N 1.454 120.162 118.700 0.013 0.000 2.036 96 N HA -0.215 4.525 4.740 0.000 0.000 0.195 96 N C 1.737 177.254 175.510 0.012 0.000 1.037 96 N CA 1.578 54.636 53.050 0.013 0.000 0.855 96 N CB -0.430 38.066 38.487 0.014 0.000 1.033 96 N HN 0.427 nan 8.380 nan 0.000 0.423 97 K N 0.893 121.298 120.400 0.009 0.000 2.044 97 K HA -0.084 4.236 4.320 0.000 0.000 0.210 97 K C 2.235 178.840 176.600 0.008 0.000 1.049 97 K CA 0.935 57.227 56.287 0.008 0.000 0.927 97 K CB -0.361 32.141 32.500 0.003 0.000 0.713 97 K HN 0.174 nan 8.250 nan 0.000 0.443 98 L N 0.312 121.536 121.223 0.003 0.000 2.131 98 L HA -0.134 4.206 4.340 0.000 0.000 0.210 98 L C 2.584 179.458 176.870 0.007 0.000 1.092 98 L CA 1.274 56.113 54.840 -0.002 0.000 0.759 98 L CB -0.938 41.116 42.059 -0.009 0.000 0.903 98 L HN 0.376 nan 8.230 nan 0.000 0.435 99 G N -0.210 108.597 108.800 0.011 0.000 2.433 99 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 99 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 99 G C 1.807 176.723 174.900 0.027 0.000 1.186 99 G CA 0.831 45.941 45.100 0.017 0.000 0.779 99 G HN 0.440 nan 8.290 nan 0.000 0.543 100 A N 0.665 123.500 122.820 0.026 0.000 1.873 100 A HA -0.076 4.244 4.320 0.000 0.000 0.218 100 A C 2.444 180.056 177.584 0.047 0.000 1.193 100 A CA 1.710 53.767 52.037 0.032 0.000 0.629 100 A CB -0.765 18.250 19.000 0.027 0.000 0.826 100 A HN 0.388 nan 8.150 nan 0.000 0.447 101 L N -0.564 120.685 121.223 0.043 0.000 2.043 101 L HA -0.269 4.071 4.340 0.000 0.000 0.212 101 L C 2.672 179.597 176.870 0.092 0.000 1.075 101 L CA 2.364 57.239 54.840 0.059 0.000 0.752 101 L CB -0.280 41.795 42.059 0.028 0.000 0.891 101 L HN 0.579 nan 8.230 nan 0.000 0.432 102 K N -1.036 119.402 120.400 0.064 0.000 2.002 102 K HA -0.191 4.129 4.320 0.000 0.000 0.209 102 K C 1.893 178.570 176.600 0.127 0.000 1.048 102 K CA 2.092 58.428 56.287 0.083 0.000 0.930 102 K CB -0.227 32.297 32.500 0.040 0.000 0.714 102 K HN 0.283 nan 8.250 nan 0.000 0.438 103 T N 1.507 116.112 114.554 0.086 0.000 2.555 103 T HA -0.174 4.176 4.350 0.000 0.000 0.264 103 T C 1.585 176.340 174.700 0.091 0.000 1.083 103 T CA 2.150 64.296 62.100 0.076 0.000 1.179 103 T CB -0.665 68.234 68.868 0.052 0.000 0.863 103 T HN 0.378 nan 8.240 nan 0.000 0.412 104 N N 0.766 119.520 118.700 0.090 0.000 2.060 104 N HA -0.117 4.623 4.740 0.000 0.000 0.195 104 N C 1.452 177.031 175.510 0.115 0.000 1.028 104 N CA 1.261 54.363 53.050 0.087 0.000 0.861 104 N CB -0.596 37.942 38.487 0.085 0.000 1.029 104 N HN 0.394 nan 8.380 nan 0.000 0.428 105 F N 1.610 121.586 119.950 0.043 0.000 2.134 105 F HA -0.077 4.450 4.527 0.000 0.000 0.299 105 F C 2.012 177.878 175.800 0.110 0.000 1.097 105 F CA 1.307 59.346 58.000 0.064 0.000 1.264 105 F CB -0.195 38.821 39.000 0.027 0.000 1.001 105 F HN 0.070 nan 8.300 nan 0.000 0.479 106 E N -0.413 119.854 120.200 0.110 0.000 2.085 106 E HA -0.195 4.155 4.350 0.000 0.000 0.194 106 E C 2.099 178.717 176.600 0.030 0.000 0.994 106 E CA 1.837 58.275 56.400 0.064 0.000 0.801 106 E CB -0.434 29.332 29.700 0.110 0.000 0.743 106 E HN 0.385 nan 8.360 nan 0.000 0.453 107 T N 1.420 115.984 114.554 0.017 0.000 2.529 107 T HA -0.207 4.143 4.350 0.000 0.000 0.261 107 T C 1.625 176.301 174.700 -0.041 0.000 1.110 107 T CA 1.367 63.467 62.100 -0.000 0.000 1.192 107 T CB -0.363 68.507 68.868 0.004 0.000 0.864 107 T HN 0.149 nan 8.240 nan 0.000 0.407 108 E N 0.142 120.298 120.200 -0.074 0.000 2.169 108 E HA -0.201 4.149 4.350 0.000 0.000 0.202 108 E C 1.859 178.364 176.600 -0.157 0.000 1.016 108 E CA 1.127 57.460 56.400 -0.111 0.000 0.817 108 E CB -0.346 29.285 29.700 -0.115 0.000 0.736 108 E HN 0.696 nan 8.360 nan 0.000 0.462 109 W N 1.720 122.782 121.300 -0.398 0.000 2.418 109 W HA -0.099 4.561 4.660 0.000 0.000 0.292 109 W C 1.395 177.804 176.519 -0.183 0.000 1.213 109 W CA 0.923 58.048 57.345 -0.366 0.000 1.283 109 W CB -0.173 28.973 29.460 -0.524 0.000 1.119 109 W HN 0.042 nan 8.180 nan 0.000 0.542 110 N N 1.344 119.997 118.700 -0.078 0.000 2.188 110 N HA -0.122 4.618 4.740 0.000 0.000 0.184 110 N C 1.365 176.770 175.510 -0.175 0.000 1.018 110 N CA 1.368 54.357 53.050 -0.101 0.000 0.858 110 N CB -0.823 37.665 38.487 0.002 0.000 0.989 110 N HN 0.233 nan 8.380 nan 0.000 0.426 111 L N 1.270 122.403 121.223 -0.150 0.000 2.912 111 L HA 0.147 4.487 4.340 0.000 0.000 0.246 111 L C 0.280 177.035 176.870 -0.193 0.000 1.371 111 L CA 0.248 55.006 54.840 -0.137 0.000 1.196 111 L CB -0.482 41.521 42.059 -0.094 0.000 1.596 111 L HN -0.013 nan 8.230 nan 0.000 0.429 112 Q N -0.033 119.596 119.800 -0.285 0.000 2.544 112 Q HA 0.629 4.969 4.340 0.000 0.000 0.291 112 Q C -0.676 175.139 176.000 -0.307 0.000 1.068 112 Q CA -0.432 55.168 55.803 -0.338 0.000 0.785 112 Q CB 3.058 31.460 28.738 -0.561 0.000 1.481 112 Q HN 0.094 nan 8.270 nan 0.000 0.430 113 T N 0.630 115.026 114.554 -0.263 0.000 2.909 113 T HA 0.754 5.104 4.350 0.000 0.000 0.299 113 T C -0.482 174.106 174.700 -0.186 0.000 1.073 113 T CA -0.528 61.455 62.100 -0.196 0.000 0.999 113 T CB 1.340 70.132 68.868 -0.125 0.000 1.098 113 T HN 0.589 nan 8.240 nan 0.000 0.477 114 L N 0.000 121.136 121.223 -0.144 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.783 54.840 -0.096 0.000 0.813 114 L CB 0.000 42.010 42.059 -0.081 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502