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 2nvq_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 0.000 176.267 176.300 -0.055 0.000 1.140 1 M CA 0.000 55.272 55.300 -0.046 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 N N 1.554 120.212 118.700 -0.070 0.000 2.205 2 N HA 0.434 5.174 4.740 0.000 0.000 0.201 2 N C 0.150 175.586 175.510 -0.123 0.000 1.128 2 N CA 0.683 53.684 53.050 -0.082 0.000 0.867 2 N CB 1.169 39.612 38.487 -0.074 0.000 0.996 2 N HN 0.552 nan 8.380 nan 0.000 0.503 3 A N 2.713 125.455 122.820 -0.130 0.000 2.540 3 A HA 0.251 4.571 4.320 0.000 0.000 0.239 3 A C -1.646 175.835 177.584 -0.171 0.000 1.061 3 A CA -0.523 51.413 52.037 -0.168 0.000 0.758 3 A CB -0.223 18.694 19.000 -0.138 0.000 0.991 3 A HN 0.103 nan 8.150 nan 0.000 0.502 4 P HA 0.273 nan 4.420 nan 0.000 0.279 4 P C -0.723 176.419 177.300 -0.262 0.000 1.276 4 P CA -0.649 62.327 63.100 -0.208 0.000 0.801 4 P CB 0.565 32.143 31.700 -0.203 0.000 1.127 5 D N 0.681 120.853 120.400 -0.381 0.000 2.382 5 D HA 0.046 4.686 4.640 0.000 0.000 0.245 5 D C 1.513 177.443 176.300 -0.616 0.000 1.120 5 D CA -0.237 53.416 54.000 -0.577 0.000 0.890 5 D CB 1.083 41.229 40.800 -1.091 0.000 1.201 5 D HN 0.185 nan 8.370 nan 0.000 0.433 6 R N 1.817 122.071 120.500 -0.410 0.000 2.152 6 R HA -0.124 4.216 4.340 0.000 0.000 0.232 6 R C 1.933 178.034 176.300 -0.332 0.000 1.117 6 R CA 0.821 56.773 56.100 -0.246 0.000 0.981 6 R CB -0.392 29.886 30.300 -0.036 0.000 0.870 6 R HN 0.547 nan 8.270 nan 0.000 0.451 7 F N 0.570 120.344 119.950 -0.294 0.000 2.604 7 F HA 0.108 4.635 4.527 0.000 0.000 0.298 7 F C 1.105 176.377 175.800 -0.881 0.000 1.131 7 F CA 0.131 57.628 58.000 -0.838 0.000 1.457 7 F CB -0.668 38.051 39.000 -0.468 0.000 1.095 7 F HN -0.093 nan 8.300 nan 0.000 0.574 8 E N 1.239 121.068 120.200 -0.619 0.000 2.516 8 E HA -0.005 4.345 4.350 0.000 0.000 0.199 8 E C 1.731 178.209 176.600 -0.203 0.000 1.069 8 E CA 0.263 56.480 56.400 -0.305 0.000 0.876 8 E CB -0.257 29.270 29.700 -0.287 0.000 0.843 8 E HN 0.570 nan 8.360 nan 0.000 0.530 9 L N -0.345 120.719 121.223 -0.265 0.000 2.418 9 L HA 0.042 4.382 4.340 0.000 0.000 0.218 9 L C 1.666 178.601 176.870 0.110 0.000 1.125 9 L CA 0.618 55.444 54.840 -0.023 0.000 0.835 9 L CB -0.158 41.958 42.059 0.095 0.000 0.953 9 L HN 0.248 nan 8.230 nan 0.000 0.454 10 F N -3.552 116.466 119.950 0.114 0.000 2.675 10 F HA 0.356 4.884 4.527 0.000 0.000 0.315 10 F C 0.377 176.245 175.800 0.113 0.000 0.888 10 F CA -0.818 57.246 58.000 0.106 0.000 1.100 10 F CB -0.181 38.872 39.000 0.087 0.000 0.908 10 F HN -0.316 nan 8.300 nan 0.000 0.657 11 L N 3.406 124.603 121.223 -0.045 0.000 2.410 11 L HA 0.287 4.628 4.340 0.000 0.000 0.273 11 L C -0.449 176.460 176.870 0.065 0.000 1.152 11 L CA -0.326 54.559 54.840 0.075 0.000 0.855 11 L CB 0.594 42.661 42.059 0.014 0.000 1.129 11 L HN 0.125 nan 8.230 nan 0.000 0.463 12 L N 3.894 125.160 121.223 0.071 0.000 2.313 12 L HA 0.385 4.725 4.340 0.000 0.000 0.282 12 L C 1.101 177.995 176.870 0.040 0.000 1.092 12 L CA 0.320 55.191 54.840 0.051 0.000 0.831 12 L CB 0.373 42.456 42.059 0.040 0.000 1.159 12 L HN 0.718 nan 8.230 nan 0.000 0.442 13 G N 2.068 110.893 108.800 0.042 0.000 2.699 13 G HA2 0.054 4.015 3.960 0.000 0.000 0.246 13 G HA3 0.054 4.015 3.960 0.000 0.000 0.246 13 G C -0.102 174.808 174.900 0.017 0.000 1.219 13 G CA -0.530 44.593 45.100 0.039 0.000 0.866 13 G HN 0.662 nan 8.290 nan 0.000 0.572 14 E N 0.040 120.247 120.200 0.011 0.000 2.413 14 E HA 0.322 4.672 4.350 0.000 0.000 0.263 14 E C 1.353 177.950 176.600 -0.005 0.000 1.015 14 E CA 0.999 57.399 56.400 0.001 0.000 0.916 14 E CB 0.225 29.925 29.700 -0.001 0.000 0.947 14 E HN 0.984 nan 8.360 nan 0.000 0.440 15 G N 4.650 113.445 108.800 -0.009 0.000 5.219 15 G HA2 -0.346 3.614 3.960 0.000 0.000 0.267 15 G HA3 -0.346 3.614 3.960 0.000 0.000 0.267 15 G C -0.127 174.762 174.900 -0.018 0.000 1.495 15 G CA 0.198 45.289 45.100 -0.015 0.000 0.988 15 G HN 0.676 nan 8.290 nan 0.000 0.707 16 E N 2.199 122.389 120.200 -0.018 0.000 3.231 16 E HA 0.258 4.608 4.350 0.000 0.000 0.271 16 E C 0.570 177.159 176.600 -0.019 0.000 0.877 16 E CA 0.858 57.246 56.400 -0.020 0.000 0.973 16 E CB 0.088 29.781 29.700 -0.011 0.000 0.922 16 E HN 0.821 nan 8.360 nan 0.000 0.532 17 S N 2.861 118.541 115.700 -0.033 0.000 2.568 17 S HA 0.330 4.800 4.470 0.000 0.000 0.293 17 S C 0.718 175.284 174.600 -0.056 0.000 1.089 17 S CA -1.151 57.027 58.200 -0.037 0.000 0.945 17 S CB 2.150 65.324 63.200 -0.043 0.000 1.077 17 S HN 0.378 nan 8.310 nan 0.000 0.485 18 K N 0.247 120.616 120.400 -0.052 0.000 2.044 18 K HA 0.003 4.323 4.320 0.000 0.000 0.210 18 K C 0.262 176.757 176.600 -0.175 0.000 1.049 18 K CA 1.377 57.625 56.287 -0.065 0.000 0.927 18 K CB -0.528 31.951 32.500 -0.035 0.000 0.713 18 K HN 0.660 nan 8.250 nan 0.000 0.443 19 L N 0.913 122.004 121.223 -0.220 0.000 2.362 19 L HA 0.385 4.726 4.340 0.000 0.000 0.271 19 L C -0.112 176.615 176.870 -0.239 0.000 1.002 19 L CA -0.846 53.779 54.840 -0.357 0.000 0.818 19 L CB 1.886 43.677 42.059 -0.447 0.000 1.298 19 L HN -0.190 nan 8.230 nan 0.000 0.420 20 K N 3.891 124.146 120.400 -0.243 0.000 2.463 20 K HA 0.576 4.896 4.320 0.000 0.000 0.255 20 K C -1.209 175.301 176.600 -0.149 0.000 0.942 20 K CA -0.466 55.728 56.287 -0.155 0.000 0.814 20 K CB 1.912 34.344 32.500 -0.113 0.000 1.122 20 K HN 0.548 nan 8.250 nan 0.000 0.425 21 I N 2.912 123.414 120.570 -0.114 0.000 2.336 21 I HA 0.265 4.435 4.170 0.000 0.000 0.292 21 I C -0.195 175.891 176.117 -0.052 0.000 0.991 21 I CA -0.606 60.642 61.300 -0.086 0.000 1.227 21 I CB 1.408 39.359 38.000 -0.081 0.000 1.366 21 I HN 0.240 nan 8.210 nan 0.000 0.466 22 D N 7.817 128.197 120.400 -0.033 0.000 2.505 22 D HA 0.342 4.983 4.640 0.000 0.000 0.249 22 D C -2.537 173.759 176.300 -0.007 0.000 1.082 22 D CA -1.306 52.682 54.000 -0.019 0.000 0.839 22 D CB 2.529 43.321 40.800 -0.015 0.000 1.317 22 D HN 0.218 nan 8.370 nan 0.000 0.497 23 P HA 0.072 nan 4.420 nan 0.000 0.276 23 P C -0.196 177.103 177.300 -0.001 0.000 1.253 23 P CA -0.276 62.821 63.100 -0.005 0.000 0.766 23 P CB 1.087 32.782 31.700 -0.008 0.000 0.845 24 D N 2.612 123.014 120.400 0.003 0.000 2.389 24 D HA 0.036 4.676 4.640 0.000 0.000 0.247 24 D C 0.894 177.189 176.300 -0.008 0.000 1.128 24 D CA 0.329 54.329 54.000 0.001 0.000 0.884 24 D CB 0.981 41.782 40.800 0.002 0.000 1.194 24 D HN 0.303 nan 8.370 nan 0.000 0.441 25 T N 0.677 115.225 114.554 -0.010 0.000 3.086 25 T HA 0.098 4.448 4.350 0.000 0.000 0.250 25 T C 1.201 175.890 174.700 -0.019 0.000 1.074 25 T CA -0.085 62.007 62.100 -0.013 0.000 0.988 25 T CB 0.570 69.432 68.868 -0.010 0.000 0.988 25 T HN 0.182 nan 8.240 nan 0.000 0.530 26 K N 2.147 122.530 120.400 -0.028 0.000 2.107 26 K HA 0.530 4.851 4.320 0.000 0.000 0.211 26 K C 1.126 177.699 176.600 -0.045 0.000 1.024 26 K CA 0.597 56.859 56.287 -0.041 0.000 0.953 26 K CB -0.506 31.959 32.500 -0.060 0.000 0.831 26 K HN 0.412 nan 8.250 nan 0.000 0.454 27 A N 3.216 126.001 122.820 -0.058 0.000 2.306 27 A HA 0.535 4.855 4.320 0.000 0.000 0.330 27 A C -2.403 175.164 177.584 -0.028 0.000 1.146 27 A CA -1.490 50.516 52.037 -0.052 0.000 0.827 27 A CB 0.509 19.459 19.000 -0.084 0.000 1.178 27 A HN 0.060 nan 8.150 nan 0.000 0.490 28 P HA 0.139 nan 4.420 nan 0.000 0.276 28 P C -0.186 177.118 177.300 0.007 0.000 1.244 28 P CA -0.213 62.885 63.100 -0.003 0.000 0.801 28 P CB 0.478 32.179 31.700 0.001 0.000 1.006 29 N N -1.262 117.445 118.700 0.012 0.000 2.735 29 N HA -0.185 4.556 4.740 0.000 0.000 0.248 29 N C -1.072 174.455 175.510 0.027 0.000 1.083 29 N CA 1.133 54.196 53.050 0.020 0.000 0.703 29 N CB -1.393 37.115 38.487 0.034 0.000 1.005 29 N HN 0.706 nan 8.380 nan 0.000 0.550 30 A N -0.991 121.841 122.820 0.021 0.000 2.475 30 A HA 0.818 5.139 4.320 0.000 0.000 0.301 30 A C -0.653 176.951 177.584 0.033 0.000 1.059 30 A CA -0.328 51.731 52.037 0.038 0.000 0.710 30 A CB 2.585 21.602 19.000 0.029 0.000 1.288 30 A HN 0.233 nan 8.150 nan 0.000 0.408 31 V N 1.198 121.144 119.914 0.054 0.000 3.078 31 V HA 0.730 4.851 4.120 0.000 0.000 0.311 31 V C -1.316 174.820 176.094 0.070 0.000 1.138 31 V CA -0.419 61.906 62.300 0.041 0.000 1.007 31 V CB 2.421 34.256 31.823 0.020 0.000 1.045 31 V HN 0.890 nan 8.190 nan 0.000 0.432 32 V N 6.056 126.002 119.914 0.052 0.000 2.482 32 V HA 0.551 4.672 4.120 0.000 0.000 0.295 32 V C -0.575 175.540 176.094 0.035 0.000 1.026 32 V CA -0.357 61.986 62.300 0.072 0.000 0.856 32 V CB 1.524 33.390 31.823 0.071 0.000 1.001 32 V HN 0.652 nan 8.190 nan 0.000 0.424 33 I N 3.483 124.086 120.570 0.055 0.000 2.378 33 I HA 0.501 4.672 4.170 0.000 0.000 0.291 33 I C 0.254 176.345 176.117 -0.043 0.000 0.992 33 I CA -0.250 61.025 61.300 -0.043 0.000 1.154 33 I CB 2.109 40.066 38.000 -0.071 0.000 1.315 33 I HN 0.472 nan 8.210 nan 0.000 0.448 34 T N 5.540 120.000 114.554 -0.156 0.000 2.837 34 T HA 0.515 4.865 4.350 0.000 0.000 0.285 34 T C -0.608 173.908 174.700 -0.307 0.000 0.984 34 T CA -0.225 61.793 62.100 -0.135 0.000 1.049 34 T CB 0.641 69.458 68.868 -0.084 0.000 0.947 34 T HN 0.120 nan 8.240 nan 0.000 0.472 35 F N 2.429 122.106 119.950 -0.454 0.000 2.403 35 F HA 0.341 4.868 4.527 0.000 0.000 0.355 35 F C 0.663 176.354 175.800 -0.181 0.000 1.119 35 F CA -1.141 56.622 58.000 -0.395 0.000 1.007 35 F CB 1.125 39.676 39.000 -0.748 0.000 1.194 35 F HN 0.356 nan 8.300 nan 0.000 0.443 36 E N 4.193 124.411 120.200 0.031 0.000 2.373 36 E HA 0.119 4.470 4.350 0.000 0.000 0.267 36 E C 0.185 176.870 176.600 0.142 0.000 1.032 36 E CA -0.206 56.237 56.400 0.072 0.000 0.889 36 E CB 0.491 30.208 29.700 0.028 0.000 0.984 36 E HN 0.366 nan 8.360 nan 0.000 0.425 37 K N 1.437 121.931 120.400 0.157 0.000 3.257 37 K HA -0.194 4.126 4.320 0.000 0.000 0.270 37 K C -0.002 176.732 176.600 0.223 0.000 0.984 37 K CA 0.821 57.215 56.287 0.177 0.000 0.739 37 K CB -1.185 31.407 32.500 0.154 0.000 1.351 37 K HN 0.478 nan 8.250 nan 0.000 0.463 38 E N 0.301 120.670 120.200 0.282 0.000 2.437 38 E HA 0.554 4.905 4.350 0.000 0.000 0.253 38 E C 0.006 176.766 176.600 0.267 0.000 0.905 38 E CA -0.283 56.305 56.400 0.312 0.000 0.871 38 E CB 1.460 31.449 29.700 0.481 0.000 1.649 38 E HN 0.290 nan 8.360 nan 0.000 0.422 39 D N -2.058 118.384 120.400 0.069 0.000 3.485 39 D HA 0.099 4.739 4.640 0.000 0.000 0.358 39 D C 0.781 176.830 176.300 -0.419 0.000 1.487 39 D CA -0.327 53.552 54.000 -0.203 0.000 0.922 39 D CB -0.278 40.398 40.800 -0.207 0.000 1.479 39 D HN 0.303 nan 8.370 nan 0.000 0.567 40 H N -0.374 118.587 119.070 -0.183 0.000 2.457 40 H HA 0.032 4.588 4.556 0.000 0.000 0.294 40 H C 1.418 176.583 175.328 -0.271 0.000 1.064 40 H CA 1.928 57.841 56.048 -0.225 0.000 1.330 40 H CB -0.810 28.930 29.762 -0.037 0.000 1.395 40 H HN 0.455 nan 8.280 nan 0.000 0.541 41 T N 0.927 115.419 114.554 -0.104 0.000 2.778 41 T HA -0.147 4.203 4.350 0.000 0.000 0.269 41 T C 2.180 176.778 174.700 -0.169 0.000 1.050 41 T CA 1.455 63.492 62.100 -0.104 0.000 1.137 41 T CB -0.119 68.710 68.868 -0.064 0.000 0.860 41 T HN 0.179 nan 8.240 nan 0.000 0.468 42 L N -0.496 120.569 121.223 -0.262 0.000 2.515 42 L HA 0.445 4.785 4.340 0.000 0.000 0.202 42 L C 2.568 179.127 176.870 -0.519 0.000 1.056 42 L CA 0.785 55.462 54.840 -0.272 0.000 0.847 42 L CB -0.610 41.375 42.059 -0.124 0.000 1.131 42 L HN 0.237 nan 8.230 nan 0.000 0.484 43 G N -0.011 108.173 108.800 -1.027 0.000 2.480 43 G HA2 -0.405 3.555 3.960 0.000 0.000 0.216 43 G HA3 -0.405 3.555 3.960 0.000 0.000 0.216 43 G C 1.308 175.380 174.900 -1.379 0.000 1.200 43 G CA 1.164 45.284 45.100 -1.633 0.000 0.782 43 G HN 0.473 nan 8.290 nan 0.000 0.554 44 N N -0.196 117.797 118.700 -1.178 0.000 2.364 44 N HA -0.050 4.691 4.740 0.000 0.000 0.183 44 N C 1.963 177.274 175.510 -0.331 0.000 1.022 44 N CA 0.922 53.604 53.050 -0.613 0.000 0.883 44 N CB -0.169 38.178 38.487 -0.233 0.000 0.965 44 N HN 0.278 nan 8.380 nan 0.000 0.438 45 L N -0.050 120.986 121.223 -0.311 0.000 2.127 45 L HA 0.262 4.602 4.340 0.000 0.000 0.203 45 L C 1.828 178.606 176.870 -0.154 0.000 1.080 45 L CA 1.163 55.894 54.840 -0.183 0.000 0.768 45 L CB -0.402 41.568 42.059 -0.147 0.000 0.924 45 L HN 0.209 nan 8.230 nan 0.000 0.444 46 I N -0.705 119.750 120.570 -0.193 0.000 2.252 46 I HA -0.250 3.920 4.170 0.000 0.000 0.245 46 I C 2.728 178.788 176.117 -0.094 0.000 1.102 46 I CA 1.133 62.364 61.300 -0.116 0.000 1.385 46 I CB -0.357 37.575 38.000 -0.113 0.000 1.064 46 I HN 0.277 nan 8.210 nan 0.000 0.414 47 R N 1.205 121.616 120.500 -0.148 0.000 2.070 47 R HA -0.171 4.169 4.340 0.000 0.000 0.233 47 R C 2.357 178.622 176.300 -0.058 0.000 1.137 47 R CA 1.736 57.789 56.100 -0.078 0.000 0.945 47 R CB -0.301 29.972 30.300 -0.044 0.000 0.845 47 R HN 0.346 nan 8.270 nan 0.000 0.430 48 A N 0.713 123.490 122.820 -0.071 0.000 2.019 48 A HA -0.144 4.176 4.320 0.000 0.000 0.219 48 A C 1.961 179.525 177.584 -0.032 0.000 1.164 48 A CA 1.278 53.288 52.037 -0.046 0.000 0.644 48 A CB -0.287 18.683 19.000 -0.050 0.000 0.805 48 A HN 0.344 nan 8.150 nan 0.000 0.449 49 E N -0.449 119.730 120.200 -0.034 0.000 2.140 49 E HA 0.038 4.388 4.350 0.000 0.000 0.191 49 E C 1.695 178.297 176.600 0.004 0.000 0.973 49 E CA 0.294 56.685 56.400 -0.015 0.000 0.829 49 E CB -0.177 29.512 29.700 -0.018 0.000 0.781 49 E HN 0.600 nan 8.360 nan 0.000 0.466 50 L N 0.817 122.042 121.223 0.003 0.000 2.642 50 L HA -0.115 4.226 4.340 0.000 0.000 0.236 50 L C 1.521 178.404 176.870 0.022 0.000 1.169 50 L CA 0.151 55.005 54.840 0.024 0.000 0.851 50 L CB 0.136 42.207 42.059 0.019 0.000 0.968 50 L HN 0.050 nan 8.230 nan 0.000 0.453 51 L N -1.395 119.832 121.223 0.006 0.000 2.731 51 L HA 0.152 4.492 4.340 0.000 0.000 0.240 51 L C 1.698 178.574 176.870 0.011 0.000 1.120 51 L CA 0.512 55.352 54.840 0.001 0.000 0.913 51 L CB -0.062 41.985 42.059 -0.020 0.000 1.213 51 L HN 0.158 nan 8.230 nan 0.000 0.515 52 N N -0.603 118.105 118.700 0.014 0.000 2.416 52 N HA -0.059 4.681 4.740 0.000 0.000 0.177 52 N C 0.192 175.715 175.510 0.022 0.000 1.036 52 N CA 0.296 53.354 53.050 0.014 0.000 0.901 52 N CB 0.128 38.621 38.487 0.011 0.000 0.976 52 N HN 0.245 nan 8.380 nan 0.000 0.444 53 D N 1.062 121.485 120.400 0.038 0.000 2.336 53 D HA 0.092 4.732 4.640 0.000 0.000 0.249 53 D C 0.556 176.883 176.300 0.045 0.000 1.213 53 D CA -0.133 53.897 54.000 0.050 0.000 0.870 53 D CB 0.554 41.417 40.800 0.105 0.000 1.076 53 D HN -0.061 nan 8.370 nan 0.000 0.483 54 R N 2.622 123.130 120.500 0.014 0.000 2.346 54 R HA 0.043 4.383 4.340 0.000 0.000 0.199 54 R C 0.874 177.183 176.300 0.015 0.000 1.015 54 R CA 0.571 56.679 56.100 0.013 0.000 1.058 54 R CB 0.295 30.594 30.300 -0.002 0.000 0.921 54 R HN 0.290 nan 8.270 nan 0.000 0.475 55 K N -0.240 120.174 120.400 0.024 0.000 2.373 55 K HA 0.148 4.469 4.320 0.000 0.000 0.202 55 K C -0.528 176.184 176.600 0.186 0.000 1.025 55 K CA -0.037 56.278 56.287 0.046 0.000 1.115 55 K CB 1.414 33.823 32.500 -0.152 0.000 0.858 55 K HN -0.107 nan 8.250 nan 0.000 0.525 56 V N 2.769 122.779 119.914 0.160 0.000 2.334 56 V HA 0.117 4.237 4.120 0.000 0.000 0.267 56 V C 1.226 177.399 176.094 0.131 0.000 1.040 56 V CA -0.221 62.177 62.300 0.162 0.000 0.866 56 V CB 0.821 32.722 31.823 0.131 0.000 1.019 56 V HN 0.267 nan 8.190 nan 0.000 0.468 57 L N 4.092 125.407 121.223 0.153 0.000 2.093 57 L HA 0.124 4.464 4.340 0.000 0.000 0.208 57 L C 0.534 177.549 176.870 0.241 0.000 1.085 57 L CA 1.705 56.642 54.840 0.162 0.000 0.755 57 L CB -0.107 42.040 42.059 0.146 0.000 0.904 57 L HN 0.561 nan 8.230 nan 0.000 0.435 58 F N -0.465 119.518 119.950 0.055 0.000 2.628 58 F HA 0.653 5.180 4.527 0.000 0.000 0.309 58 F C -1.436 174.401 175.800 0.062 0.000 1.108 58 F CA -0.847 57.184 58.000 0.052 0.000 0.971 58 F CB 1.542 40.569 39.000 0.045 0.000 1.279 58 F HN -0.272 nan 8.300 nan 0.000 0.441 59 A N 3.930 126.271 122.820 -0.798 0.000 2.500 59 A HA 0.906 5.226 4.320 0.000 0.000 0.291 59 A C -1.833 175.404 177.584 -0.577 0.000 1.048 59 A CA 0.147 51.901 52.037 -0.471 0.000 0.791 59 A CB 0.777 19.678 19.000 -0.164 0.000 1.309 59 A HN 1.905 nan 8.150 nan 0.000 0.397 60 A N 1.361 123.974 122.820 -0.346 0.000 2.609 60 A HA 0.967 5.287 4.320 0.000 0.000 0.291 60 A C -1.190 176.486 177.584 0.152 0.000 1.096 60 A CA -0.220 51.742 52.037 -0.124 0.000 0.684 60 A CB 1.052 19.939 19.000 -0.188 0.000 1.282 60 A HN 2.230 nan 8.150 nan 0.000 0.412 61 Y N -0.292 120.023 120.300 0.026 0.000 2.655 61 Y HA 0.828 5.378 4.550 0.000 0.000 0.336 61 Y C -1.008 174.962 175.900 0.117 0.000 1.154 61 Y CA -0.817 57.359 58.100 0.127 0.000 1.055 61 Y CB 1.671 40.189 38.460 0.096 0.000 1.295 61 Y HN 1.003 nan 8.280 nan 0.000 0.465 62 K N 0.774 121.193 120.400 0.032 0.000 2.594 62 K HA 0.499 4.819 4.320 0.000 0.000 0.262 62 K C -2.123 174.586 176.600 0.181 0.000 0.954 62 K CA -0.789 55.425 56.287 -0.122 0.000 0.917 62 K CB 1.297 33.754 32.500 -0.071 0.000 1.343 62 K HN 0.972 nan 8.250 nan 0.000 0.428 63 V N 0.738 120.758 119.914 0.177 0.000 2.356 63 V HA 0.221 4.342 4.120 0.000 0.000 0.258 63 V C 0.977 177.160 176.094 0.148 0.000 1.065 63 V CA -0.228 62.216 62.300 0.240 0.000 0.935 63 V CB 0.598 32.563 31.823 0.238 0.000 1.061 63 V HN 0.962 nan 8.190 nan 0.000 0.484 64 E N 2.265 122.563 120.200 0.164 0.000 2.118 64 E HA -0.131 4.219 4.350 0.000 0.000 0.195 64 E C 0.242 176.911 176.600 0.116 0.000 0.992 64 E CA 1.604 58.077 56.400 0.121 0.000 0.804 64 E CB 0.114 29.899 29.700 0.140 0.000 0.741 64 E HN 0.938 nan 8.360 nan 0.000 0.458 65 H N -1.268 117.872 119.070 0.116 0.000 2.856 65 H HA 0.102 4.658 4.556 0.000 0.000 0.355 65 H C -2.024 173.301 175.328 -0.005 0.000 1.079 65 H CA -1.899 54.158 56.048 0.016 0.000 1.240 65 H CB 2.049 31.834 29.762 0.038 0.000 1.701 65 H HN -0.203 nan 8.280 nan 0.000 0.527 66 P HA -0.111 nan 4.420 nan 0.000 0.230 66 P C 1.095 178.521 177.300 0.210 0.000 1.158 66 P CA 0.986 64.158 63.100 0.120 0.000 0.769 66 P CB 0.112 31.824 31.700 0.021 0.000 0.807 67 F N -0.712 119.245 119.950 0.013 0.000 2.171 67 F HA -0.091 4.436 4.527 0.001 0.000 0.300 67 F C 1.222 176.641 175.800 -0.635 0.000 1.090 67 F CA 0.206 57.861 58.000 -0.575 0.000 1.293 67 F CB -0.363 37.837 39.000 -1.332 0.000 1.013 67 F HN -0.187 nan 8.300 nan 0.000 0.486 68 F N -0.997 119.100 119.950 0.245 0.000 2.425 68 F HA 0.442 4.970 4.527 0.000 0.000 0.331 68 F C 1.017 176.895 175.800 0.130 0.000 1.085 68 F CA -0.827 57.258 58.000 0.141 0.000 1.028 68 F CB 0.976 40.044 39.000 0.114 0.000 1.177 68 F HN -0.266 nan 8.300 nan 0.000 0.487 69 A N 2.205 125.194 122.820 0.282 0.000 1.969 69 A HA -0.083 4.237 4.320 0.000 0.000 0.218 69 A C 1.261 179.000 177.584 0.258 0.000 1.169 69 A CA 0.310 52.476 52.037 0.216 0.000 0.635 69 A CB -0.640 18.463 19.000 0.171 0.000 0.810 69 A HN 0.788 nan 8.150 nan 0.000 0.445 70 R N -0.369 120.279 120.500 0.245 0.000 2.566 70 R HA 0.204 4.544 4.340 0.000 0.000 0.273 70 R C -0.514 175.979 176.300 0.321 0.000 0.981 70 R CA 0.509 56.740 56.100 0.219 0.000 1.091 70 R CB -0.235 30.140 30.300 0.124 0.000 0.924 70 R HN 0.507 nan 8.270 nan 0.000 0.411 71 F N -0.521 119.555 119.950 0.209 0.000 2.588 71 F HA 0.602 5.129 4.527 0.000 0.000 0.314 71 F C -1.262 174.696 175.800 0.263 0.000 1.069 71 F CA -1.552 56.581 58.000 0.222 0.000 0.931 71 F CB 1.819 40.955 39.000 0.227 0.000 1.260 71 F HN 0.385 nan 8.300 nan 0.000 0.465 72 K N 2.868 123.485 120.400 0.362 0.000 2.159 72 K HA 0.621 4.941 4.320 0.000 0.000 0.266 72 K C -1.696 175.146 176.600 0.404 0.000 0.975 72 K CA -0.951 55.483 56.287 0.246 0.000 0.865 72 K CB 2.089 34.698 32.500 0.182 0.000 1.087 72 K HN 0.710 nan 8.250 nan 0.000 0.446 73 L N 3.279 124.704 121.223 0.337 0.000 2.325 73 L HA 0.407 4.747 4.340 0.000 0.000 0.281 73 L C -0.868 176.163 176.870 0.268 0.000 1.004 73 L CA -0.315 54.748 54.840 0.371 0.000 0.823 73 L CB 1.277 43.586 42.059 0.416 0.000 1.236 73 L HN 0.550 nan 8.230 nan 0.000 0.415 74 R N 5.766 126.420 120.500 0.258 0.000 2.338 74 R HA 0.735 5.075 4.340 0.000 0.000 0.317 74 R C -1.521 174.948 176.300 0.283 0.000 0.968 74 R CA -0.487 55.776 56.100 0.271 0.000 0.849 74 R CB 0.878 31.390 30.300 0.355 0.000 1.128 74 R HN 0.765 nan 8.270 nan 0.000 0.448 75 I N 3.271 123.983 120.570 0.236 0.000 2.509 75 I HA 0.327 4.498 4.170 0.000 0.000 0.293 75 I C -0.591 175.655 176.117 0.215 0.000 1.020 75 I CA -0.788 60.635 61.300 0.205 0.000 1.088 75 I CB 2.163 40.231 38.000 0.113 0.000 1.267 75 I HN 0.573 nan 8.210 nan 0.000 0.430 76 Q N 4.412 124.367 119.800 0.259 0.000 2.347 76 Q HA 0.670 5.010 4.340 0.000 0.000 0.271 76 Q C -1.350 174.746 176.000 0.160 0.000 1.064 76 Q CA -0.579 55.333 55.803 0.181 0.000 0.800 76 Q CB 2.706 31.550 28.738 0.177 0.000 1.304 76 Q HN 0.822 nan 8.270 nan 0.000 0.438 77 T N -0.888 113.738 114.554 0.120 0.000 2.883 77 T HA 0.496 4.846 4.350 0.000 0.000 0.296 77 T C -0.250 174.538 174.700 0.147 0.000 1.117 77 T CA -0.744 61.450 62.100 0.157 0.000 1.006 77 T CB 1.447 70.403 68.868 0.147 0.000 1.191 77 T HN 0.485 nan 8.240 nan 0.000 0.508 78 T N 2.306 116.967 114.554 0.177 0.000 2.940 78 T HA 0.222 4.573 4.350 0.000 0.000 0.309 78 T C 0.050 174.825 174.700 0.125 0.000 1.056 78 T CA -0.449 61.726 62.100 0.125 0.000 1.137 78 T CB -0.094 68.832 68.868 0.097 0.000 0.976 78 T HN 0.717 nan 8.240 nan 0.000 0.547 79 E N 1.200 121.449 120.200 0.082 0.000 2.608 79 E HA 0.308 4.659 4.350 0.000 0.000 0.259 79 E C 1.428 178.078 176.600 0.083 0.000 0.951 79 E CA 1.024 57.466 56.400 0.070 0.000 0.945 79 E CB -0.457 29.271 29.700 0.046 0.000 0.916 79 E HN 0.932 nan 8.360 nan 0.000 0.477 80 G N 2.303 111.157 108.800 0.090 0.000 2.313 80 G HA2 -0.314 3.646 3.960 0.000 0.000 0.215 80 G HA3 -0.314 3.646 3.960 0.000 0.000 0.215 80 G C -0.289 174.714 174.900 0.170 0.000 1.023 80 G CA -0.135 45.024 45.100 0.099 0.000 0.626 80 G HN 0.587 nan 8.290 nan 0.000 0.503 81 Y N 2.701 123.013 120.300 0.020 0.000 2.341 81 Y HA 0.510 5.060 4.550 0.000 0.000 0.340 81 Y C -0.086 175.829 175.900 0.026 0.000 0.997 81 Y CA -0.905 57.209 58.100 0.023 0.000 1.149 81 Y CB 0.913 39.389 38.460 0.026 0.000 1.171 81 Y HN 0.197 nan 8.280 nan 0.000 0.494 82 D N 8.301 128.625 120.400 -0.127 0.000 2.350 82 D HA 0.066 4.707 4.640 0.000 0.000 0.249 82 D C -1.688 174.379 176.300 -0.388 0.000 1.119 82 D CA -1.793 52.096 54.000 -0.185 0.000 0.886 82 D CB 2.021 42.758 40.800 -0.105 0.000 1.195 82 D HN 0.378 nan 8.370 nan 0.000 0.437 83 P HA -0.157 nan 4.420 nan 0.000 0.216 83 P C 0.938 178.134 177.300 -0.173 0.000 1.150 83 P CA 1.167 64.154 63.100 -0.189 0.000 0.837 83 P CB 0.406 32.066 31.700 -0.066 0.000 0.786 84 K N -0.412 119.908 120.400 -0.134 0.000 2.148 84 K HA -0.111 4.210 4.320 0.000 0.000 0.204 84 K C 1.633 178.169 176.600 -0.106 0.000 1.050 84 K CA 1.300 57.533 56.287 -0.091 0.000 0.942 84 K CB -0.406 32.055 32.500 -0.064 0.000 0.724 84 K HN 0.139 nan 8.250 nan 0.000 0.446 85 D N 0.876 121.168 120.400 -0.180 0.000 2.178 85 D HA -0.091 4.549 4.640 0.000 0.000 0.202 85 D C 1.790 177.999 176.300 -0.152 0.000 0.974 85 D CA 0.958 54.874 54.000 -0.140 0.000 0.841 85 D CB -0.095 40.635 40.800 -0.117 0.000 0.953 85 D HN 0.164 nan 8.370 nan 0.000 0.478 86 A N 0.632 123.227 122.820 -0.374 0.000 1.930 86 A HA -0.097 4.223 4.320 0.000 0.000 0.217 86 A C 2.113 179.696 177.584 -0.003 0.000 1.175 86 A CA 0.761 52.700 52.037 -0.164 0.000 0.627 86 A CB -0.542 18.309 19.000 -0.249 0.000 0.815 86 A HN 0.221 nan 8.150 nan 0.000 0.443 87 L N -0.114 121.095 121.223 -0.024 0.000 2.027 87 L HA -0.098 4.243 4.340 0.000 0.000 0.206 87 L C 2.233 179.129 176.870 0.044 0.000 1.074 87 L CA 2.126 56.987 54.840 0.035 0.000 0.745 87 L CB -0.506 41.583 42.059 0.050 0.000 0.898 87 L HN 0.297 nan 8.230 nan 0.000 0.433 88 K N -0.254 120.162 120.400 0.026 0.000 2.044 88 K HA -0.208 4.112 4.320 0.000 0.000 0.210 88 K C 1.907 178.538 176.600 0.051 0.000 1.049 88 K CA 2.214 58.522 56.287 0.036 0.000 0.927 88 K CB -0.471 32.044 32.500 0.026 0.000 0.713 88 K HN 0.552 nan 8.250 nan 0.000 0.443 89 N N 0.513 119.254 118.700 0.070 0.000 2.120 89 N HA -0.153 4.587 4.740 0.000 0.000 0.188 89 N C 1.919 177.469 175.510 0.066 0.000 1.024 89 N CA 0.752 53.851 53.050 0.082 0.000 0.852 89 N CB -0.154 38.412 38.487 0.131 0.000 1.003 89 N HN 0.186 nan 8.380 nan 0.000 0.424 90 A N 0.884 123.744 122.820 0.067 0.000 1.917 90 A HA -0.208 4.112 4.320 0.000 0.000 0.219 90 A C 2.468 180.075 177.584 0.038 0.000 1.182 90 A CA 1.282 53.349 52.037 0.050 0.000 0.633 90 A CB -1.056 17.974 19.000 0.050 0.000 0.819 90 A HN 0.467 nan 8.150 nan 0.000 0.448 91 C N -0.640 118.687 119.300 0.045 0.000 2.473 91 C HA -0.081 4.379 4.460 0.000 0.000 0.279 91 C C 2.687 177.696 174.990 0.031 0.000 1.250 91 C CA 0.912 59.954 59.018 0.040 0.000 1.713 91 C CB -1.558 26.213 27.740 0.052 0.000 2.066 91 C HN 0.657 nan 8.230 nan 0.000 0.474 92 N N 0.889 119.609 118.700 0.034 0.000 2.049 92 N HA -0.186 4.554 4.740 0.000 0.000 0.198 92 N C 1.930 177.454 175.510 0.024 0.000 1.030 92 N CA 1.869 54.937 53.050 0.029 0.000 0.870 92 N CB -0.677 37.829 38.487 0.032 0.000 1.045 92 N HN 0.467 nan 8.380 nan 0.000 0.434 93 S N 0.883 116.599 115.700 0.027 0.000 2.372 93 S HA -0.117 4.353 4.470 0.000 0.000 0.227 93 S C 2.110 176.718 174.600 0.013 0.000 1.044 93 S CA 1.007 59.219 58.200 0.021 0.000 1.050 93 S CB -0.233 62.982 63.200 0.024 0.000 0.901 93 S HN 0.236 nan 8.310 nan 0.000 0.447 94 I N 0.916 121.492 120.570 0.011 0.000 2.226 94 I HA -0.175 3.995 4.170 0.000 0.000 0.245 94 I C 2.017 178.135 176.117 0.002 0.000 1.100 94 I CA 1.231 62.532 61.300 0.002 0.000 1.374 94 I CB -0.325 37.673 38.000 -0.004 0.000 1.057 94 I HN 0.330 nan 8.210 nan 0.000 0.413 95 I N 0.453 121.027 120.570 0.008 0.000 2.315 95 I HA -0.245 3.925 4.170 0.000 0.000 0.248 95 I C 2.097 178.218 176.117 0.007 0.000 1.117 95 I CA 1.121 62.425 61.300 0.007 0.000 1.404 95 I CB -0.614 37.393 38.000 0.012 0.000 1.071 95 I HN 0.281 nan 8.210 nan 0.000 0.419 96 N N 1.408 120.114 118.700 0.010 0.000 2.244 96 N HA -0.153 4.588 4.740 0.000 0.000 0.183 96 N C 1.750 177.266 175.510 0.010 0.000 1.016 96 N CA 1.189 54.246 53.050 0.011 0.000 0.866 96 N CB -0.164 38.331 38.487 0.014 0.000 0.980 96 N HN 0.429 nan 8.380 nan 0.000 0.430 97 K N 0.690 121.094 120.400 0.008 0.000 2.211 97 K HA 0.053 4.373 4.320 0.000 0.000 0.203 97 K C 2.005 178.608 176.600 0.005 0.000 1.050 97 K CA 0.527 56.818 56.287 0.007 0.000 0.945 97 K CB 0.068 32.569 32.500 0.003 0.000 0.732 97 K HN 0.125 nan 8.250 nan 0.000 0.451 98 L N -0.738 120.485 121.223 0.000 0.000 2.162 98 L HA 0.016 4.356 4.340 0.000 0.000 0.205 98 L C 2.356 179.225 176.870 -0.001 0.000 1.086 98 L CA 0.838 55.674 54.840 -0.007 0.000 0.778 98 L CB -0.334 41.716 42.059 -0.015 0.000 0.928 98 L HN 0.274 nan 8.230 nan 0.000 0.446 99 G N -0.510 108.293 108.800 0.005 0.000 2.509 99 G HA2 -0.112 3.848 3.960 0.000 0.000 0.218 99 G HA3 -0.112 3.848 3.960 0.000 0.000 0.218 99 G C 1.656 176.568 174.900 0.020 0.000 1.124 99 G CA 0.789 45.895 45.100 0.011 0.000 0.776 99 G HN 0.427 nan 8.290 nan 0.000 0.547 100 A N 0.637 123.470 122.820 0.021 0.000 1.861 100 A HA 0.231 4.551 4.320 0.000 0.000 0.212 100 A C 2.230 179.838 177.584 0.041 0.000 1.199 100 A CA 0.861 52.915 52.037 0.029 0.000 0.613 100 A CB -0.539 18.475 19.000 0.023 0.000 0.846 100 A HN 0.272 nan 8.150 nan 0.000 0.446 101 L N 0.008 121.251 121.223 0.035 0.000 2.081 101 L HA -0.220 4.120 4.340 0.000 0.000 0.212 101 L C 2.345 179.259 176.870 0.073 0.000 1.080 101 L CA 2.640 57.509 54.840 0.048 0.000 0.754 101 L CB -0.590 41.479 42.059 0.016 0.000 0.893 101 L HN 0.600 nan 8.230 nan 0.000 0.433 102 K N -0.888 119.540 120.400 0.046 0.000 2.007 102 K HA -0.137 4.183 4.320 0.000 0.000 0.206 102 K C 1.865 178.531 176.600 0.109 0.000 1.047 102 K CA 1.937 58.258 56.287 0.056 0.000 0.937 102 K CB -0.027 32.480 32.500 0.013 0.000 0.718 102 K HN 0.306 nan 8.250 nan 0.000 0.438 103 T N 1.447 116.049 114.554 0.080 0.000 2.788 103 T HA -0.094 4.256 4.350 0.000 0.000 0.268 103 T C 1.625 176.383 174.700 0.097 0.000 1.044 103 T CA 1.301 63.450 62.100 0.081 0.000 1.139 103 T CB -0.404 68.496 68.868 0.053 0.000 0.867 103 T HN 0.255 nan 8.240 nan 0.000 0.454 104 N N 0.735 119.494 118.700 0.098 0.000 2.166 104 N HA -0.037 4.703 4.740 0.000 0.000 0.186 104 N C 1.521 177.110 175.510 0.132 0.000 1.019 104 N CA 0.940 54.047 53.050 0.096 0.000 0.856 104 N CB -0.488 38.050 38.487 0.086 0.000 0.993 104 N HN 0.415 nan 8.380 nan 0.000 0.426 105 F N 2.451 122.423 119.950 0.037 0.000 2.113 105 F HA -0.086 4.441 4.527 0.000 0.000 0.297 105 F C 2.194 178.054 175.800 0.100 0.000 1.103 105 F CA 1.256 59.288 58.000 0.054 0.000 1.248 105 F CB -0.057 38.952 39.000 0.016 0.000 0.999 105 F HN 0.021 nan 8.300 nan 0.000 0.475 106 E N -0.538 119.829 120.200 0.278 0.000 2.085 106 E HA -0.212 4.139 4.350 0.000 0.000 0.194 106 E C 2.085 178.762 176.600 0.128 0.000 0.994 106 E CA 1.889 58.420 56.400 0.219 0.000 0.801 106 E CB -0.712 29.097 29.700 0.182 0.000 0.743 106 E HN 0.410 nan 8.360 nan 0.000 0.453 107 T N 1.442 116.039 114.554 0.072 0.000 2.708 107 T HA -0.136 4.214 4.350 0.000 0.000 0.266 107 T C 1.691 176.383 174.700 -0.014 0.000 1.037 107 T CA 1.060 63.179 62.100 0.031 0.000 1.146 107 T CB -0.125 68.758 68.868 0.025 0.000 0.865 107 T HN 0.077 nan 8.240 nan 0.000 0.435 108 E N 0.533 120.699 120.200 -0.058 0.000 2.049 108 E HA -0.153 4.198 4.350 0.000 0.000 0.198 108 E C 1.819 178.340 176.600 -0.132 0.000 1.007 108 E CA 0.989 57.318 56.400 -0.119 0.000 0.809 108 E CB -0.567 29.017 29.700 -0.193 0.000 0.749 108 E HN 0.653 nan 8.360 nan 0.000 0.450 109 W N 1.835 122.895 121.300 -0.400 0.000 2.318 109 W HA -0.248 4.412 4.660 0.000 0.000 0.313 109 W C 1.390 177.818 176.519 -0.152 0.000 1.221 109 W CA 1.565 58.713 57.345 -0.328 0.000 1.266 109 W CB -0.230 29.035 29.460 -0.324 0.000 1.150 109 W HN 0.092 nan 8.180 nan 0.000 0.496 110 N N 0.901 119.534 118.700 -0.112 0.000 2.309 110 N HA -0.133 4.607 4.740 0.000 0.000 0.182 110 N C 1.769 177.155 175.510 -0.205 0.000 1.018 110 N CA 1.552 54.496 53.050 -0.175 0.000 0.876 110 N CB -0.855 37.621 38.487 -0.018 0.000 0.972 110 N HN 0.314 nan 8.380 nan 0.000 0.434 111 L N 0.438 121.561 121.223 -0.167 0.000 2.465 111 L HA -0.025 4.315 4.340 0.000 0.000 0.224 111 L C 0.582 177.341 176.870 -0.185 0.000 1.145 111 L CA 0.570 55.324 54.840 -0.143 0.000 0.834 111 L CB -0.190 41.810 42.059 -0.099 0.000 0.944 111 L HN 0.024 nan 8.230 nan 0.000 0.451 112 Q N 1.145 120.774 119.800 -0.286 0.000 2.299 112 Q HA 0.291 4.631 4.340 0.000 0.000 0.246 112 Q C 0.154 175.961 176.000 -0.322 0.000 0.935 112 Q CA 0.098 55.717 55.803 -0.306 0.000 0.887 112 Q CB 1.565 30.067 28.738 -0.394 0.000 1.223 112 Q HN 0.173 nan 8.270 nan 0.000 0.439 113 T N -1.459 112.958 114.554 -0.228 0.000 2.908 113 T HA 0.747 5.098 4.350 0.000 0.000 0.290 113 T C 0.264 174.867 174.700 -0.161 0.000 1.034 113 T CA -0.861 61.125 62.100 -0.191 0.000 1.010 113 T CB 1.631 70.424 68.868 -0.126 0.000 1.068 113 T HN 0.701 nan 8.240 nan 0.000 0.481 114 L N 0.000 121.143 121.223 -0.133 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 42.019 42.059 -0.066 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502