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 3gtk_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 0.000 176.298 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 N N 1.188 119.884 118.700 -0.006 0.000 2.220 2 N HA 0.253 4.994 4.740 0.002 0.000 0.195 2 N C 0.404 175.903 175.510 -0.019 0.000 1.123 2 N CA 0.424 53.475 53.050 0.001 0.000 0.874 2 N CB 0.947 39.445 38.487 0.019 0.000 0.995 2 N HN 0.327 nan 8.380 nan 0.000 0.498 3 A N 3.006 125.799 122.820 -0.045 0.000 2.548 3 A HA 0.220 4.541 4.320 0.002 0.000 0.247 3 A C -2.014 175.516 177.584 -0.090 0.000 1.067 3 A CA -0.450 51.537 52.037 -0.084 0.000 0.757 3 A CB -0.309 18.637 19.000 -0.090 0.000 0.996 3 A HN 0.032 nan 8.150 nan 0.000 0.504 4 P HA 0.393 nan 4.420 nan 0.000 0.292 4 P C -0.942 176.231 177.300 -0.211 0.000 1.287 4 P CA -0.592 62.437 63.100 -0.119 0.000 0.800 4 P CB 0.741 32.399 31.700 -0.070 0.000 0.945 5 D N 1.967 122.172 120.400 -0.325 0.000 2.506 5 D HA -0.037 4.604 4.640 0.002 0.000 0.234 5 D C 1.616 177.547 176.300 -0.616 0.000 1.143 5 D CA 0.175 53.845 54.000 -0.549 0.000 0.871 5 D CB 0.607 40.851 40.800 -0.927 0.000 1.190 5 D HN 0.149 nan 8.370 nan 0.000 0.459 6 R N 2.059 122.330 120.500 -0.381 0.000 2.091 6 R HA -0.143 4.198 4.340 0.002 0.000 0.238 6 R C 1.962 178.213 176.300 -0.082 0.000 1.136 6 R CA 0.861 56.871 56.100 -0.151 0.000 0.959 6 R CB -0.768 29.535 30.300 0.006 0.000 0.856 6 R HN 0.679 nan 8.270 nan 0.000 0.437 7 F N 1.288 121.235 119.950 -0.005 0.000 2.605 7 F HA -0.021 4.505 4.527 -0.001 0.000 0.296 7 F C 0.966 176.477 175.800 -0.482 0.000 1.146 7 F CA 0.316 58.081 58.000 -0.391 0.000 1.478 7 F CB -0.807 37.970 39.000 -0.372 0.000 1.107 7 F HN -0.015 nan 8.300 nan 0.000 0.600 8 E N 0.556 120.630 120.200 -0.211 0.000 2.489 8 E HA 0.109 4.460 4.350 0.002 0.000 0.193 8 E C 1.685 178.339 176.600 0.090 0.000 1.057 8 E CA -0.017 56.363 56.400 -0.033 0.000 0.866 8 E CB -0.066 29.574 29.700 -0.101 0.000 0.916 8 E HN 0.544 nan 8.360 nan 0.000 0.500 9 L N -0.157 121.199 121.223 0.221 0.000 2.592 9 L HA 0.146 4.486 4.340 0.002 0.000 0.227 9 L C 1.222 178.418 176.870 0.543 0.000 1.127 9 L CA 0.533 55.592 54.840 0.364 0.000 0.884 9 L CB -0.131 42.125 42.059 0.327 0.000 1.065 9 L HN 0.267 nan 8.230 nan 0.000 0.457 10 F N -3.906 116.110 119.950 0.110 0.000 2.897 10 F HA 0.319 4.848 4.527 0.004 0.000 0.364 10 F C 0.307 176.166 175.800 0.098 0.000 0.940 10 F CA -0.793 57.266 58.000 0.098 0.000 1.106 10 F CB 0.214 39.263 39.000 0.080 0.000 1.034 10 F HN -0.256 nan 8.300 nan 0.000 0.583 11 L N 2.340 123.460 121.223 -0.172 0.000 2.416 11 L HA 0.577 4.918 4.340 0.002 0.000 0.262 11 L C -0.699 176.166 176.870 -0.009 0.000 1.093 11 L CA -0.730 54.042 54.840 -0.113 0.000 0.801 11 L CB 1.404 43.324 42.059 -0.232 0.000 1.191 11 L HN 0.038 nan 8.230 nan 0.000 0.459 12 L N 0.563 121.778 121.223 -0.014 0.000 2.376 12 L HA 0.658 4.999 4.340 0.002 0.000 0.275 12 L C 0.670 177.537 176.870 -0.004 0.000 0.987 12 L CA -0.190 54.653 54.840 0.005 0.000 0.828 12 L CB 1.119 43.179 42.059 0.002 0.000 1.249 12 L HN 0.632 nan 8.230 nan 0.000 0.409 13 G N 1.503 110.311 108.800 0.013 0.000 2.447 13 G HA2 0.160 4.121 3.960 0.002 0.000 0.269 13 G HA3 0.160 4.121 3.960 0.002 0.000 0.269 13 G C -0.261 174.635 174.900 -0.007 0.000 1.455 13 G CA -0.500 44.606 45.100 0.009 0.000 1.061 13 G HN 0.629 nan 8.290 nan 0.000 0.545 14 E N -0.315 119.882 120.200 -0.006 0.000 2.316 14 E HA 0.403 4.754 4.350 0.002 0.000 0.275 14 E C 0.858 177.449 176.600 -0.014 0.000 1.029 14 E CA 0.545 56.937 56.400 -0.012 0.000 0.871 14 E CB 0.827 30.521 29.700 -0.010 0.000 1.022 14 E HN 0.847 nan 8.360 nan 0.000 0.418 15 G N 3.524 112.313 108.800 -0.018 0.000 2.356 15 G HA2 -0.334 3.627 3.960 0.002 0.000 0.296 15 G HA3 -0.334 3.627 3.960 0.002 0.000 0.296 15 G C -0.307 174.579 174.900 -0.024 0.000 1.022 15 G CA 0.273 45.361 45.100 -0.022 0.000 0.961 15 G HN 0.598 nan 8.290 nan 0.000 0.510 16 E N 0.789 120.976 120.200 -0.022 0.000 2.376 16 E HA 0.365 4.716 4.350 0.002 0.000 0.236 16 E C 0.195 176.778 176.600 -0.029 0.000 0.962 16 E CA -0.398 55.987 56.400 -0.024 0.000 0.768 16 E CB 0.811 30.504 29.700 -0.012 0.000 1.236 16 E HN 0.300 nan 8.360 nan 0.000 0.431 17 S N 2.022 117.698 115.700 -0.040 0.000 2.579 17 S HA 0.015 4.486 4.470 0.002 0.000 0.275 17 S C 1.199 175.762 174.600 -0.061 0.000 1.345 17 S CA -0.483 57.687 58.200 -0.050 0.000 1.031 17 S CB 1.317 64.481 63.200 -0.060 0.000 0.892 17 S HN 0.428 nan 8.310 nan 0.000 0.529 18 K N 0.530 120.889 120.400 -0.068 0.000 2.296 18 K HA 0.176 4.497 4.320 0.002 0.000 0.200 18 K C -0.206 176.299 176.600 -0.157 0.000 1.048 18 K CA 0.735 56.975 56.287 -0.078 0.000 0.966 18 K CB -0.063 32.403 32.500 -0.056 0.000 0.754 18 K HN 0.548 nan 8.250 nan 0.000 0.466 19 L N 1.324 122.439 121.223 -0.181 0.000 2.438 19 L HA 0.341 4.682 4.340 0.002 0.000 0.270 19 L C -0.755 176.001 176.870 -0.190 0.000 0.972 19 L CA -0.655 54.023 54.840 -0.271 0.000 0.831 19 L CB 2.375 44.215 42.059 -0.365 0.000 1.273 19 L HN -0.212 nan 8.230 nan 0.000 0.405 20 K N 3.878 124.169 120.400 -0.181 0.000 2.235 20 K HA 0.603 4.924 4.320 0.002 0.000 0.266 20 K C -1.403 175.119 176.600 -0.129 0.000 0.980 20 K CA -0.534 55.678 56.287 -0.125 0.000 0.849 20 K CB 2.040 34.487 32.500 -0.089 0.000 1.098 20 K HN 0.539 nan 8.250 nan 0.000 0.445 21 I N 3.609 124.118 120.570 -0.102 0.000 2.406 21 I HA 0.315 4.486 4.170 0.002 0.000 0.290 21 I C -1.336 174.750 176.117 -0.051 0.000 0.999 21 I CA -0.443 60.808 61.300 -0.082 0.000 1.124 21 I CB 1.243 39.191 38.000 -0.088 0.000 1.289 21 I HN 0.648 nan 8.210 nan 0.000 0.441 22 D N 8.275 128.654 120.400 -0.034 0.000 2.671 22 D HA 0.415 5.056 4.640 0.002 0.000 0.232 22 D C -2.676 173.616 176.300 -0.014 0.000 1.114 22 D CA -1.159 52.827 54.000 -0.023 0.000 0.858 22 D CB 2.538 43.327 40.800 -0.019 0.000 1.544 22 D HN 0.197 nan 8.370 nan 0.000 0.471 23 P HA 0.104 nan 4.420 nan 0.000 0.282 23 P C -0.317 176.978 177.300 -0.009 0.000 1.274 23 P CA -0.325 62.769 63.100 -0.011 0.000 0.770 23 P CB 0.604 32.297 31.700 -0.013 0.000 0.867 24 D N 2.535 122.931 120.400 -0.007 0.000 2.382 24 D HA -0.026 4.615 4.640 0.002 0.000 0.259 24 D C 1.201 177.490 176.300 -0.017 0.000 1.224 24 D CA 0.532 54.525 54.000 -0.012 0.000 0.894 24 D CB 0.910 41.701 40.800 -0.016 0.000 1.127 24 D HN 0.342 nan 8.370 nan 0.000 0.487 25 T N 1.914 116.457 114.554 -0.018 0.000 2.985 25 T HA -0.087 4.263 4.350 0.002 0.000 0.266 25 T C 1.545 176.231 174.700 -0.023 0.000 1.076 25 T CA 0.548 62.638 62.100 -0.018 0.000 1.135 25 T CB 0.228 69.087 68.868 -0.016 0.000 0.890 25 T HN 0.236 nan 8.240 nan 0.000 0.480 26 K N 2.380 122.761 120.400 -0.031 0.000 1.967 26 K HA 0.264 4.585 4.320 0.002 0.000 0.212 26 K C 1.303 177.878 176.600 -0.043 0.000 1.044 26 K CA 1.243 57.506 56.287 -0.040 0.000 0.942 26 K CB -0.756 31.710 32.500 -0.056 0.000 0.726 26 K HN 0.527 nan 8.250 nan 0.000 0.440 27 A N 2.590 125.379 122.820 -0.053 0.000 2.330 27 A HA 0.515 4.836 4.320 0.002 0.000 0.327 27 A C -2.547 175.020 177.584 -0.028 0.000 1.155 27 A CA -1.708 50.301 52.037 -0.048 0.000 0.803 27 A CB 0.923 19.877 19.000 -0.075 0.000 1.208 27 A HN -0.035 nan 8.150 nan 0.000 0.477 28 P HA 0.178 nan 4.420 nan 0.000 0.271 28 P C 0.168 177.470 177.300 0.004 0.000 1.218 28 P CA 0.314 63.411 63.100 -0.005 0.000 0.780 28 P CB 0.356 32.056 31.700 0.000 0.000 0.901 29 N N -0.536 118.168 118.700 0.007 0.000 2.747 29 N HA -0.188 4.553 4.740 0.002 0.000 0.249 29 N C -1.231 174.288 175.510 0.016 0.000 1.107 29 N CA 1.091 54.149 53.050 0.015 0.000 0.707 29 N CB -1.502 37.003 38.487 0.031 0.000 1.054 29 N HN 0.542 nan 8.380 nan 0.000 0.555 30 A N -0.981 121.844 122.820 0.008 0.000 2.401 30 A HA 0.837 5.158 4.320 0.002 0.000 0.310 30 A C -0.448 177.144 177.584 0.013 0.000 1.075 30 A CA -0.259 51.788 52.037 0.016 0.000 0.746 30 A CB 2.156 21.155 19.000 -0.002 0.000 1.277 30 A HN 0.276 nan 8.150 nan 0.000 0.425 31 V N 0.542 120.476 119.914 0.033 0.000 3.007 31 V HA 0.716 4.837 4.120 0.002 0.000 0.311 31 V C -0.890 175.240 176.094 0.061 0.000 1.120 31 V CA -0.629 61.689 62.300 0.030 0.000 0.980 31 V CB 1.945 33.778 31.823 0.017 0.000 1.033 31 V HN 1.103 nan 8.190 nan 0.000 0.429 32 V N 5.313 125.256 119.914 0.049 0.000 2.398 32 V HA 0.577 4.698 4.120 0.002 0.000 0.282 32 V C -0.632 175.493 176.094 0.052 0.000 1.014 32 V CA -0.157 62.187 62.300 0.073 0.000 0.838 32 V CB 0.927 32.786 31.823 0.061 0.000 1.018 32 V HN 0.706 nan 8.190 nan 0.000 0.432 33 I N 4.723 125.342 120.570 0.082 0.000 2.488 33 I HA 0.531 4.702 4.170 0.002 0.000 0.299 33 I C 0.327 176.467 176.117 0.039 0.000 0.984 33 I CA -0.296 61.013 61.300 0.015 0.000 1.250 33 I CB 1.818 39.799 38.000 -0.033 0.000 1.389 33 I HN 0.397 nan 8.210 nan 0.000 0.488 34 T N 5.269 119.769 114.554 -0.091 0.000 3.155 34 T HA 0.402 4.753 4.350 0.002 0.000 0.384 34 T C -0.344 174.254 174.700 -0.170 0.000 1.351 34 T CA -0.377 61.678 62.100 -0.075 0.000 1.198 34 T CB -0.444 68.389 68.868 -0.059 0.000 1.106 34 T HN 0.118 nan 8.240 nan 0.000 0.564 35 F N 2.810 122.442 119.950 -0.530 0.000 2.557 35 F HA 0.179 4.707 4.527 0.001 0.000 0.384 35 F C 1.202 176.823 175.800 -0.298 0.000 1.057 35 F CA -0.479 57.215 58.000 -0.511 0.000 1.169 35 F CB 0.239 38.636 39.000 -1.005 0.000 1.070 35 F HN 0.270 nan 8.300 nan 0.000 0.554 36 E N 4.052 124.243 120.200 -0.015 0.000 2.301 36 E HA 0.125 4.476 4.350 0.002 0.000 0.275 36 E C 0.171 176.834 176.600 0.104 0.000 1.030 36 E CA -0.543 55.878 56.400 0.035 0.000 0.852 36 E CB 0.844 30.546 29.700 0.002 0.000 1.060 36 E HN 0.324 nan 8.360 nan 0.000 0.401 37 K N 1.761 122.242 120.400 0.135 0.000 3.451 37 K HA -0.197 4.123 4.320 0.002 0.000 0.273 37 K C -0.154 176.570 176.600 0.206 0.000 0.944 37 K CA 0.863 57.255 56.287 0.176 0.000 0.734 37 K CB -1.211 31.388 32.500 0.166 0.000 1.437 37 K HN 0.486 nan 8.250 nan 0.000 0.454 38 E N 0.236 120.578 120.200 0.238 0.000 2.454 38 E HA 0.496 4.847 4.350 0.002 0.000 0.279 38 E C -0.208 176.542 176.600 0.249 0.000 1.029 38 E CA -0.476 56.091 56.400 0.279 0.000 0.831 38 E CB 1.916 31.898 29.700 0.469 0.000 1.405 38 E HN 0.306 nan 8.360 nan 0.000 0.463 39 D N -1.897 118.518 120.400 0.026 0.000 3.103 39 D HA 0.128 4.768 4.640 0.002 0.000 0.337 39 D C 0.629 176.586 176.300 -0.572 0.000 1.356 39 D CA -0.369 53.489 54.000 -0.237 0.000 0.951 39 D CB -0.150 40.619 40.800 -0.052 0.000 1.438 39 D HN 0.383 nan 8.370 nan 0.000 0.562 40 H N -0.578 118.311 119.070 -0.301 0.000 2.543 40 H HA 0.009 4.566 4.556 0.001 0.000 0.286 40 H C 1.108 176.247 175.328 -0.316 0.000 1.037 40 H CA 1.733 57.572 56.048 -0.349 0.000 1.250 40 H CB -0.205 29.490 29.762 -0.112 0.000 1.373 40 H HN 0.444 nan 8.280 nan 0.000 0.580 41 T N 0.876 115.340 114.554 -0.150 0.000 2.821 41 T HA -0.096 4.255 4.350 0.002 0.000 0.267 41 T C 2.100 176.673 174.700 -0.212 0.000 1.046 41 T CA 0.598 62.617 62.100 -0.136 0.000 1.139 41 T CB -0.059 68.757 68.868 -0.085 0.000 0.871 41 T HN 0.087 nan 8.240 nan 0.000 0.454 42 L N 1.319 122.349 121.223 -0.321 0.000 2.187 42 L HA 0.432 4.773 4.340 0.002 0.000 0.197 42 L C 2.688 179.152 176.870 -0.678 0.000 1.090 42 L CA 1.800 56.435 54.840 -0.341 0.000 0.781 42 L CB -1.622 40.361 42.059 -0.126 0.000 0.956 42 L HN 0.292 nan 8.230 nan 0.000 0.463 43 G N -0.126 107.775 108.800 -1.499 0.000 2.599 43 G HA2 -0.451 3.510 3.960 0.002 0.000 0.219 43 G HA3 -0.451 3.510 3.960 0.002 0.000 0.219 43 G C 1.522 175.683 174.900 -1.231 0.000 1.193 43 G CA 1.283 45.098 45.100 -2.142 0.000 0.778 43 G HN 0.480 nan 8.290 nan 0.000 0.589 44 N N -0.069 118.075 118.700 -0.928 0.000 2.094 44 N HA -0.102 4.639 4.740 0.002 0.000 0.191 44 N C 2.068 177.514 175.510 -0.107 0.000 1.023 44 N CA 1.170 54.127 53.050 -0.153 0.000 0.857 44 N CB -0.346 38.142 38.487 0.002 0.000 1.013 44 N HN 0.230 nan 8.380 nan 0.000 0.426 45 L N 0.696 121.812 121.223 -0.178 0.000 2.005 45 L HA 0.067 4.408 4.340 0.002 0.000 0.207 45 L C 2.034 178.858 176.870 -0.076 0.000 1.072 45 L CA 1.336 56.115 54.840 -0.101 0.000 0.744 45 L CB -0.968 41.032 42.059 -0.099 0.000 0.895 45 L HN 0.255 nan 8.230 nan 0.000 0.433 46 I N -0.721 119.782 120.570 -0.112 0.000 2.194 46 I HA -0.369 3.802 4.170 0.002 0.000 0.246 46 I C 2.775 178.886 176.117 -0.009 0.000 1.093 46 I CA 1.489 62.761 61.300 -0.045 0.000 1.355 46 I CB -0.361 37.605 38.000 -0.057 0.000 1.046 46 I HN 0.313 nan 8.210 nan 0.000 0.413 47 R N 0.790 121.283 120.500 -0.012 0.000 2.070 47 R HA -0.196 4.145 4.340 0.002 0.000 0.233 47 R C 2.365 178.675 176.300 0.016 0.000 1.137 47 R CA 1.800 57.924 56.100 0.040 0.000 0.945 47 R CB -0.307 30.073 30.300 0.132 0.000 0.845 47 R HN 0.385 nan 8.270 nan 0.000 0.430 48 A N 1.001 123.827 122.820 0.011 0.000 1.898 48 A HA -0.108 4.213 4.320 0.002 0.000 0.216 48 A C 1.701 179.287 177.584 0.005 0.000 1.181 48 A CA 1.218 53.257 52.037 0.002 0.000 0.620 48 A CB -0.241 18.759 19.000 0.001 0.000 0.819 48 A HN 0.337 nan 8.150 nan 0.000 0.442 49 E N -0.770 119.434 120.200 0.007 0.000 2.511 49 E HA 0.036 4.387 4.350 0.002 0.000 0.196 49 E C 1.357 177.974 176.600 0.029 0.000 1.066 49 E CA 0.212 56.621 56.400 0.016 0.000 0.871 49 E CB 0.105 29.813 29.700 0.014 0.000 0.863 49 E HN 0.645 nan 8.360 nan 0.000 0.520 50 L N -0.307 120.933 121.223 0.028 0.000 2.556 50 L HA 0.058 4.399 4.340 0.002 0.000 0.226 50 L C 1.390 178.280 176.870 0.034 0.000 1.089 50 L CA 0.146 55.012 54.840 0.042 0.000 0.864 50 L CB 0.402 42.488 42.059 0.046 0.000 1.067 50 L HN 0.029 nan 8.230 nan 0.000 0.477 51 L N -0.135 121.097 121.223 0.014 0.000 2.592 51 L HA 0.120 4.461 4.340 0.002 0.000 0.227 51 L C 1.633 178.510 176.870 0.012 0.000 1.127 51 L CA 0.508 55.350 54.840 0.004 0.000 0.884 51 L CB -0.422 41.624 42.059 -0.020 0.000 1.065 51 L HN 0.184 nan 8.230 nan 0.000 0.457 52 N N -0.616 118.095 118.700 0.019 0.000 2.300 52 N HA -0.100 4.641 4.740 0.002 0.000 0.179 52 N C 0.538 176.064 175.510 0.026 0.000 1.016 52 N CA 0.469 53.531 53.050 0.019 0.000 0.876 52 N CB -0.204 38.294 38.487 0.019 0.000 0.979 52 N HN 0.201 nan 8.380 nan 0.000 0.432 53 D N 1.082 121.507 120.400 0.041 0.000 2.349 53 D HA 0.044 4.685 4.640 0.002 0.000 0.266 53 D C 0.653 176.980 176.300 0.046 0.000 1.293 53 D CA 0.013 54.044 54.000 0.052 0.000 0.926 53 D CB 0.385 41.242 40.800 0.096 0.000 1.090 53 D HN 0.067 nan 8.370 nan 0.000 0.502 54 R N 2.822 123.336 120.500 0.023 0.000 2.355 54 R HA -0.071 4.270 4.340 0.002 0.000 0.219 54 R C 1.007 177.321 176.300 0.023 0.000 1.107 54 R CA 0.665 56.776 56.100 0.018 0.000 1.021 54 R CB 0.201 30.503 30.300 0.003 0.000 0.852 54 R HN 0.268 nan 8.270 nan 0.000 0.475 55 K N 0.388 120.805 120.400 0.030 0.000 2.374 55 K HA 0.135 4.456 4.320 0.002 0.000 0.196 55 K C 0.101 176.791 176.600 0.150 0.000 1.023 55 K CA 0.220 56.528 56.287 0.035 0.000 1.103 55 K CB 0.790 33.218 32.500 -0.119 0.000 0.848 55 K HN -0.035 nan 8.250 nan 0.000 0.528 56 V N 1.982 121.980 119.914 0.140 0.000 2.472 56 V HA 0.234 4.355 4.120 0.002 0.000 0.290 56 V C 1.572 177.736 176.094 0.117 0.000 1.037 56 V CA -0.456 61.935 62.300 0.151 0.000 0.908 56 V CB 1.766 33.665 31.823 0.127 0.000 0.985 56 V HN -0.019 nan 8.190 nan 0.000 0.454 57 L N 2.815 124.122 121.223 0.140 0.000 2.200 57 L HA 0.374 4.715 4.340 0.002 0.000 0.200 57 L C 0.294 177.285 176.870 0.201 0.000 1.072 57 L CA 1.182 56.110 54.840 0.147 0.000 0.787 57 L CB 0.195 42.341 42.059 0.146 0.000 0.957 57 L HN 0.561 nan 8.230 nan 0.000 0.459 58 F N 0.141 120.120 119.950 0.049 0.000 2.591 58 F HA 0.699 5.227 4.527 0.001 0.000 0.309 58 F C -1.168 174.663 175.800 0.052 0.000 1.098 58 F CA -0.746 57.281 58.000 0.044 0.000 0.937 58 F CB 1.779 40.801 39.000 0.037 0.000 1.250 58 F HN -0.195 nan 8.300 nan 0.000 0.447 59 A N 4.014 126.407 122.820 -0.712 0.000 2.512 59 A HA 0.893 5.214 4.320 0.002 0.000 0.294 59 A C -1.810 175.472 177.584 -0.503 0.000 1.054 59 A CA 0.083 51.909 52.037 -0.352 0.000 0.756 59 A CB 0.868 19.802 19.000 -0.110 0.000 1.293 59 A HN 1.956 nan 8.150 nan 0.000 0.395 60 A N 1.118 123.817 122.820 -0.202 0.000 2.590 60 A HA 0.738 5.059 4.320 0.002 0.000 0.294 60 A C -1.225 176.432 177.584 0.122 0.000 1.046 60 A CA -0.260 51.718 52.037 -0.099 0.000 0.684 60 A CB 0.412 19.281 19.000 -0.219 0.000 1.279 60 A HN 2.199 nan 8.150 nan 0.000 0.415 61 Y N 0.441 120.765 120.300 0.040 0.000 2.621 61 Y HA 0.889 5.440 4.550 0.002 0.000 0.334 61 Y C -0.261 175.701 175.900 0.104 0.000 1.074 61 Y CA -0.773 57.392 58.100 0.109 0.000 1.149 61 Y CB 1.558 40.075 38.460 0.096 0.000 1.302 61 Y HN 0.870 nan 8.280 nan 0.000 0.501 62 K N 0.942 121.542 120.400 0.334 0.000 2.527 62 K HA 0.632 4.952 4.320 0.002 0.000 0.260 62 K C -1.962 174.837 176.600 0.330 0.000 0.937 62 K CA -0.971 55.434 56.287 0.197 0.000 0.826 62 K CB 2.497 35.075 32.500 0.130 0.000 1.359 62 K HN 0.989 nan 8.250 nan 0.000 0.434 63 V N 0.243 120.313 119.914 0.260 0.000 2.293 63 V HA 0.287 4.408 4.120 0.002 0.000 0.275 63 V C 1.022 177.242 176.094 0.211 0.000 1.021 63 V CA -0.386 62.056 62.300 0.238 0.000 0.815 63 V CB 0.912 32.843 31.823 0.181 0.000 1.025 63 V HN 1.011 nan 8.190 nan 0.000 0.448 64 E N 2.465 122.796 120.200 0.219 0.000 2.048 64 E HA -0.208 4.143 4.350 0.002 0.000 0.202 64 E C 0.202 176.969 176.600 0.278 0.000 1.021 64 E CA 2.366 58.896 56.400 0.217 0.000 0.825 64 E CB 0.036 29.859 29.700 0.205 0.000 0.756 64 E HN 0.956 nan 8.360 nan 0.000 0.454 65 H N -2.026 117.169 119.070 0.209 0.000 3.083 65 H HA 0.156 4.713 4.556 0.001 0.000 0.339 65 H C -2.445 172.993 175.328 0.183 0.000 1.020 65 H CA -1.648 54.499 56.048 0.165 0.000 1.360 65 H CB 1.901 31.748 29.762 0.142 0.000 1.811 65 H HN -0.172 nan 8.280 nan 0.000 0.493 66 P HA -0.011 nan 4.420 nan 0.000 0.239 66 P C 0.814 178.121 177.300 0.012 0.000 1.184 66 P CA 0.839 63.892 63.100 -0.079 0.000 0.760 66 P CB -0.099 31.549 31.700 -0.086 0.000 0.884 67 F N -1.398 118.301 119.950 -0.417 0.000 2.234 67 F HA -0.002 4.526 4.527 0.001 0.000 0.299 67 F C 0.930 176.429 175.800 -0.503 0.000 1.087 67 F CA 0.304 58.010 58.000 -0.491 0.000 1.340 67 F CB -0.045 38.495 39.000 -0.766 0.000 1.031 67 F HN -0.180 nan 8.300 nan 0.000 0.500 68 F N -0.457 119.686 119.950 0.321 0.000 2.508 68 F HA 0.562 5.089 4.527 0.000 0.000 0.325 68 F C 0.225 176.121 175.800 0.159 0.000 1.090 68 F CA -1.515 56.610 58.000 0.208 0.000 0.945 68 F CB 0.911 40.032 39.000 0.200 0.000 1.156 68 F HN -0.359 nan 8.300 nan 0.000 0.463 69 A N 4.258 127.267 122.820 0.314 0.000 2.396 69 A HA 0.714 5.035 4.320 0.002 0.000 0.279 69 A C -0.109 177.615 177.584 0.233 0.000 1.165 69 A CA -0.325 51.853 52.037 0.235 0.000 0.824 69 A CB -0.161 18.963 19.000 0.206 0.000 1.100 69 A HN 0.943 nan 8.150 nan 0.000 0.516 70 R N 1.773 122.412 120.500 0.232 0.000 5.532 70 R HA 0.332 4.673 4.340 0.002 0.000 0.254 70 R C -1.417 175.024 176.300 0.235 0.000 0.953 70 R CA -0.612 55.604 56.100 0.192 0.000 1.518 70 R CB -0.612 29.766 30.300 0.130 0.000 1.203 70 R HN 0.926 nan 8.270 nan 0.000 0.691 71 F N 0.607 120.591 119.950 0.057 0.000 2.594 71 F HA 0.779 5.307 4.527 0.001 0.000 0.335 71 F C -0.825 175.053 175.800 0.130 0.000 1.058 71 F CA -1.263 56.765 58.000 0.046 0.000 0.981 71 F CB 1.832 40.764 39.000 -0.114 0.000 1.289 71 F HN 0.360 nan 8.300 nan 0.000 0.490 72 K N 1.967 122.500 120.400 0.223 0.000 2.376 72 K HA 0.558 4.879 4.320 0.002 0.000 0.257 72 K C -1.792 174.988 176.600 0.299 0.000 0.939 72 K CA -0.870 55.514 56.287 0.162 0.000 0.809 72 K CB 2.348 34.937 32.500 0.149 0.000 1.121 72 K HN 0.618 nan 8.250 nan 0.000 0.425 73 L N 2.880 124.269 121.223 0.276 0.000 2.309 73 L HA 0.426 4.767 4.340 0.002 0.000 0.282 73 L C -0.657 176.365 176.870 0.255 0.000 1.036 73 L CA -0.215 54.810 54.840 0.309 0.000 0.806 73 L CB 1.174 43.427 42.059 0.324 0.000 1.220 73 L HN 0.533 nan 8.230 nan 0.000 0.429 74 R N 5.965 126.622 120.500 0.262 0.000 2.393 74 R HA 0.673 5.014 4.340 0.002 0.000 0.315 74 R C -1.646 174.840 176.300 0.311 0.000 0.952 74 R CA -0.510 55.750 56.100 0.266 0.000 0.842 74 R CB 0.795 31.275 30.300 0.300 0.000 1.163 74 R HN 0.732 nan 8.270 nan 0.000 0.450 75 I N 3.538 124.242 120.570 0.224 0.000 2.499 75 I HA 0.292 4.463 4.170 0.002 0.000 0.288 75 I C -0.780 175.433 176.117 0.159 0.000 1.048 75 I CA -0.816 60.606 61.300 0.203 0.000 1.062 75 I CB 2.185 40.261 38.000 0.125 0.000 1.238 75 I HN 0.524 nan 8.210 nan 0.000 0.426 76 Q N 5.383 125.306 119.800 0.205 0.000 2.330 76 Q HA 0.646 4.987 4.340 0.002 0.000 0.269 76 Q C -1.083 175.002 176.000 0.143 0.000 1.022 76 Q CA -0.487 55.401 55.803 0.141 0.000 0.796 76 Q CB 2.179 30.996 28.738 0.132 0.000 1.271 76 Q HN 0.826 nan 8.270 nan 0.000 0.450 77 T N -0.268 114.353 114.554 0.111 0.000 2.907 77 T HA 0.473 4.824 4.350 0.002 0.000 0.290 77 T C -0.083 174.719 174.700 0.170 0.000 1.066 77 T CA -0.756 61.443 62.100 0.165 0.000 1.012 77 T CB 1.332 70.317 68.868 0.196 0.000 1.184 77 T HN 0.523 nan 8.240 nan 0.000 0.522 78 T N 1.909 116.583 114.554 0.200 0.000 2.897 78 T HA 0.004 4.355 4.350 0.002 0.000 0.304 78 T C 0.399 175.190 174.700 0.152 0.000 1.051 78 T CA 0.241 62.428 62.100 0.145 0.000 1.132 78 T CB -0.030 68.902 68.868 0.107 0.000 1.066 78 T HN 0.733 nan 8.240 nan 0.000 0.518 79 E N 0.922 121.180 120.200 0.097 0.000 2.392 79 E HA 0.317 4.668 4.350 0.002 0.000 0.264 79 E C 1.034 177.691 176.600 0.095 0.000 1.024 79 E CA 0.487 56.938 56.400 0.084 0.000 0.903 79 E CB 0.009 29.742 29.700 0.054 0.000 0.963 79 E HN 0.981 nan 8.360 nan 0.000 0.432 80 G N 3.526 112.385 108.800 0.099 0.000 2.303 80 G HA2 -0.277 3.684 3.960 0.002 0.000 0.260 80 G HA3 -0.277 3.684 3.960 0.002 0.000 0.260 80 G C -1.114 173.897 174.900 0.186 0.000 1.106 80 G CA 0.301 45.463 45.100 0.103 0.000 0.900 80 G HN 0.489 nan 8.290 nan 0.000 0.495 81 Y N -0.041 120.271 120.300 0.019 0.000 2.262 81 Y HA 0.468 5.019 4.550 0.002 0.000 0.317 81 Y C -1.028 174.886 175.900 0.024 0.000 1.230 81 Y CA -1.664 56.449 58.100 0.021 0.000 1.166 81 Y CB 1.197 39.672 38.460 0.025 0.000 1.254 81 Y HN 0.234 nan 8.280 nan 0.000 0.405 82 D N 7.769 128.101 120.400 -0.114 0.000 2.351 82 D HA 0.343 4.984 4.640 0.002 0.000 0.251 82 D C -1.939 174.115 176.300 -0.411 0.000 1.137 82 D CA -2.058 51.832 54.000 -0.184 0.000 0.879 82 D CB 2.039 42.789 40.800 -0.084 0.000 1.181 82 D HN 0.330 nan 8.370 nan 0.000 0.448 83 P HA -0.161 nan 4.420 nan 0.000 0.216 83 P C 0.826 178.006 177.300 -0.200 0.000 1.150 83 P CA 1.507 64.438 63.100 -0.282 0.000 0.837 83 P CB 0.176 31.807 31.700 -0.115 0.000 0.786 84 K N -0.527 119.792 120.400 -0.135 0.000 2.127 84 K HA -0.215 4.106 4.320 0.002 0.000 0.208 84 K C 1.611 178.167 176.600 -0.074 0.000 1.047 84 K CA 1.954 58.193 56.287 -0.080 0.000 0.927 84 K CB -0.673 31.790 32.500 -0.063 0.000 0.716 84 K HN 0.187 nan 8.250 nan 0.000 0.450 85 D N 0.349 120.678 120.400 -0.120 0.000 2.117 85 D HA -0.085 4.556 4.640 0.002 0.000 0.198 85 D C 1.875 178.163 176.300 -0.020 0.000 0.982 85 D CA 1.318 55.290 54.000 -0.047 0.000 0.828 85 D CB -0.192 40.615 40.800 0.013 0.000 0.967 85 D HN 0.231 nan 8.370 nan 0.000 0.464 86 A N 0.389 123.086 122.820 -0.205 0.000 1.908 86 A HA -0.154 4.167 4.320 0.002 0.000 0.218 86 A C 2.070 179.679 177.584 0.042 0.000 1.181 86 A CA 1.053 53.077 52.037 -0.021 0.000 0.627 86 A CB -0.777 18.133 19.000 -0.151 0.000 0.818 86 A HN 0.241 nan 8.150 nan 0.000 0.445 87 L N -0.061 121.168 121.223 0.011 0.000 1.976 87 L HA -0.176 4.165 4.340 0.002 0.000 0.209 87 L C 2.327 179.233 176.870 0.060 0.000 1.071 87 L CA 2.346 57.221 54.840 0.058 0.000 0.746 87 L CB -0.641 41.455 42.059 0.061 0.000 0.890 87 L HN 0.338 nan 8.230 nan 0.000 0.432 88 K N -0.433 119.991 120.400 0.039 0.000 2.032 88 K HA -0.256 4.064 4.320 0.002 0.000 0.218 88 K C 1.934 178.569 176.600 0.059 0.000 1.054 88 K CA 1.995 58.308 56.287 0.044 0.000 0.941 88 K CB -0.573 31.947 32.500 0.035 0.000 0.720 88 K HN 0.426 nan 8.250 nan 0.000 0.449 89 N N 0.341 119.088 118.700 0.077 0.000 2.289 89 N HA -0.132 4.609 4.740 0.002 0.000 0.184 89 N C 1.615 177.168 175.510 0.072 0.000 1.016 89 N CA 1.209 54.309 53.050 0.083 0.000 0.872 89 N CB -0.173 38.386 38.487 0.120 0.000 0.973 89 N HN 0.257 nan 8.380 nan 0.000 0.433 90 A N 0.402 123.267 122.820 0.075 0.000 1.898 90 A HA -0.070 4.250 4.320 0.002 0.000 0.214 90 A C 2.630 180.247 177.584 0.054 0.000 1.183 90 A CA 0.888 52.964 52.037 0.065 0.000 0.622 90 A CB -0.800 18.242 19.000 0.070 0.000 0.824 90 A HN 0.411 nan 8.150 nan 0.000 0.444 91 C N -0.064 119.272 119.300 0.060 0.000 2.413 91 C HA -0.128 4.333 4.460 0.002 0.000 0.276 91 C C 2.623 177.637 174.990 0.041 0.000 1.248 91 C CA 1.239 60.290 59.018 0.055 0.000 1.742 91 C CB -1.681 26.097 27.740 0.062 0.000 2.017 91 C HN 0.660 nan 8.230 nan 0.000 0.481 92 N N 0.872 119.596 118.700 0.040 0.000 2.058 92 N HA -0.125 4.616 4.740 0.002 0.000 0.191 92 N C 1.972 177.498 175.510 0.028 0.000 1.037 92 N CA 1.677 54.747 53.050 0.032 0.000 0.848 92 N CB -0.706 37.801 38.487 0.034 0.000 1.021 92 N HN 0.454 nan 8.380 nan 0.000 0.422 93 S N 0.262 115.981 115.700 0.031 0.000 2.372 93 S HA -0.125 4.346 4.470 0.002 0.000 0.227 93 S C 1.916 176.528 174.600 0.020 0.000 1.044 93 S CA 1.100 59.316 58.200 0.026 0.000 1.050 93 S CB -0.438 62.780 63.200 0.029 0.000 0.901 93 S HN 0.264 nan 8.310 nan 0.000 0.447 94 I N 1.200 121.782 120.570 0.020 0.000 2.091 94 I HA -0.245 3.926 4.170 0.002 0.000 0.239 94 I C 2.262 178.385 176.117 0.010 0.000 1.061 94 I CA 1.715 63.022 61.300 0.012 0.000 1.317 94 I CB -0.488 37.519 38.000 0.011 0.000 1.031 94 I HN 0.342 nan 8.210 nan 0.000 0.401 95 I N 0.827 121.405 120.570 0.013 0.000 2.151 95 I HA -0.336 3.835 4.170 0.002 0.000 0.243 95 I C 2.171 178.294 176.117 0.010 0.000 1.080 95 I CA 1.603 62.910 61.300 0.010 0.000 1.339 95 I CB -0.686 37.322 38.000 0.014 0.000 1.039 95 I HN 0.336 nan 8.210 nan 0.000 0.409 96 N N 1.064 119.772 118.700 0.014 0.000 2.192 96 N HA -0.197 4.544 4.740 0.002 0.000 0.188 96 N C 1.696 177.214 175.510 0.013 0.000 1.013 96 N CA 1.310 54.369 53.050 0.014 0.000 0.863 96 N CB -0.259 38.238 38.487 0.017 0.000 0.990 96 N HN 0.397 nan 8.380 nan 0.000 0.430 97 K N 0.122 120.529 120.400 0.012 0.000 2.044 97 K HA 0.120 4.441 4.320 0.002 0.000 0.204 97 K C 1.983 178.588 176.600 0.008 0.000 1.049 97 K CA 0.543 56.837 56.287 0.011 0.000 0.945 97 K CB -0.068 32.437 32.500 0.009 0.000 0.724 97 K HN 0.083 nan 8.250 nan 0.000 0.440 98 L N 0.023 121.247 121.223 0.001 0.000 2.017 98 L HA -0.120 4.221 4.340 0.002 0.000 0.208 98 L C 2.547 179.414 176.870 -0.005 0.000 1.073 98 L CA 1.515 56.350 54.840 -0.009 0.000 0.745 98 L CB -0.989 41.059 42.059 -0.018 0.000 0.894 98 L HN 0.374 nan 8.230 nan 0.000 0.432 99 G N -0.334 108.466 108.800 0.001 0.000 2.469 99 G HA2 -0.272 3.689 3.960 0.002 0.000 0.220 99 G HA3 -0.272 3.689 3.960 0.002 0.000 0.220 99 G C 1.661 176.570 174.900 0.016 0.000 1.136 99 G CA 0.986 46.089 45.100 0.006 0.000 0.759 99 G HN 0.500 nan 8.290 nan 0.000 0.562 100 A N -0.222 122.609 122.820 0.019 0.000 1.984 100 A HA 0.388 4.708 4.320 0.002 0.000 0.214 100 A C 2.251 179.859 177.584 0.041 0.000 1.173 100 A CA 0.665 52.719 52.037 0.029 0.000 0.673 100 A CB -0.208 18.808 19.000 0.025 0.000 0.830 100 A HN 0.344 nan 8.150 nan 0.000 0.453 101 L N -0.302 120.942 121.223 0.035 0.000 1.943 101 L HA -0.240 4.101 4.340 0.002 0.000 0.215 101 L C 2.516 179.431 176.870 0.076 0.000 1.074 101 L CA 2.456 57.326 54.840 0.050 0.000 0.759 101 L CB -0.430 41.641 42.059 0.021 0.000 0.888 101 L HN 0.457 nan 8.230 nan 0.000 0.433 102 K N -0.879 119.538 120.400 0.028 0.000 2.090 102 K HA -0.284 4.037 4.320 0.002 0.000 0.218 102 K C 1.749 178.411 176.600 0.105 0.000 1.055 102 K CA 2.870 59.172 56.287 0.025 0.000 0.941 102 K CB -0.346 32.148 32.500 -0.011 0.000 0.722 102 K HN 0.439 nan 8.250 nan 0.000 0.458 103 T N 0.589 115.193 114.554 0.083 0.000 2.737 103 T HA -0.086 4.265 4.350 0.002 0.000 0.265 103 T C 1.598 176.366 174.700 0.114 0.000 1.038 103 T CA 1.380 63.533 62.100 0.089 0.000 1.144 103 T CB -0.437 68.465 68.868 0.058 0.000 0.866 103 T HN 0.270 nan 8.240 nan 0.000 0.434 104 N N 0.767 119.533 118.700 0.110 0.000 2.149 104 N HA -0.041 4.700 4.740 0.002 0.000 0.188 104 N C 1.467 177.060 175.510 0.138 0.000 1.019 104 N CA 0.859 53.971 53.050 0.103 0.000 0.857 104 N CB -0.550 37.989 38.487 0.087 0.000 0.997 104 N HN 0.413 nan 8.380 nan 0.000 0.426 105 F N 2.329 122.301 119.950 0.035 0.000 2.102 105 F HA -0.138 4.390 4.527 0.002 0.000 0.298 105 F C 2.137 177.994 175.800 0.096 0.000 1.105 105 F CA 1.254 59.285 58.000 0.051 0.000 1.239 105 F CB 0.040 39.047 39.000 0.011 0.000 0.991 105 F HN 0.003 nan 8.300 nan 0.000 0.474 106 E N -0.043 120.353 120.200 0.328 0.000 2.038 106 E HA -0.217 4.134 4.350 0.002 0.000 0.195 106 E C 2.100 178.780 176.600 0.134 0.000 1.000 106 E CA 2.078 58.631 56.400 0.255 0.000 0.803 106 E CB -1.356 28.465 29.700 0.201 0.000 0.750 106 E HN 0.409 nan 8.360 nan 0.000 0.448 107 T N 1.740 116.346 114.554 0.088 0.000 2.802 107 T HA -0.179 4.171 4.350 0.002 0.000 0.269 107 T C 1.605 176.306 174.700 0.001 0.000 1.062 107 T CA 1.495 63.620 62.100 0.042 0.000 1.133 107 T CB -0.049 68.839 68.868 0.034 0.000 0.852 107 T HN 0.124 nan 8.240 nan 0.000 0.485 108 E N -0.309 119.867 120.200 -0.040 0.000 2.057 108 E HA -0.003 4.348 4.350 0.002 0.000 0.190 108 E C 1.875 178.415 176.600 -0.101 0.000 0.969 108 E CA 0.239 56.582 56.400 -0.096 0.000 0.812 108 E CB -0.528 29.079 29.700 -0.155 0.000 0.777 108 E HN 0.613 nan 8.360 nan 0.000 0.455 109 W N 2.922 124.002 121.300 -0.367 0.000 2.290 109 W HA -0.315 4.346 4.660 0.002 0.000 0.328 109 W C 1.355 177.797 176.519 -0.129 0.000 1.272 109 W CA 2.054 59.223 57.345 -0.293 0.000 1.262 109 W CB -0.416 28.878 29.460 -0.276 0.000 1.151 109 W HN 0.084 nan 8.180 nan 0.000 0.473 110 N N 0.815 119.492 118.700 -0.038 0.000 2.184 110 N HA -0.230 4.511 4.740 0.002 0.000 0.190 110 N C 1.815 177.215 175.510 -0.183 0.000 1.011 110 N CA 2.126 55.106 53.050 -0.116 0.000 0.867 110 N CB -1.153 37.343 38.487 0.015 0.000 0.993 110 N HN 0.337 nan 8.380 nan 0.000 0.433 111 L N 0.272 121.404 121.223 -0.152 0.000 2.027 111 L HA -0.074 4.266 4.340 0.002 0.000 0.206 111 L C 0.755 177.516 176.870 -0.183 0.000 1.074 111 L CA 0.788 55.547 54.840 -0.135 0.000 0.745 111 L CB -0.444 41.558 42.059 -0.095 0.000 0.898 111 L HN 0.179 nan 8.230 nan 0.000 0.433 112 Q N 1.132 120.782 119.800 -0.250 0.000 2.386 112 Q HA 0.046 4.387 4.340 0.002 0.000 0.282 112 Q C -0.152 175.688 176.000 -0.266 0.000 1.050 112 Q CA 0.532 56.184 55.803 -0.251 0.000 0.918 112 Q CB 0.398 28.965 28.738 -0.285 0.000 1.266 112 Q HN 0.189 nan 8.270 nan 0.000 0.423 113 T N 2.918 117.360 114.554 -0.185 0.000 2.806 113 T HA 0.616 4.967 4.350 0.002 0.000 0.290 113 T C 0.490 175.096 174.700 -0.157 0.000 0.966 113 T CA -0.689 61.317 62.100 -0.157 0.000 1.060 113 T CB 0.488 69.295 68.868 -0.102 0.000 0.927 113 T HN 0.505 nan 8.240 nan 0.000 0.485 114 L N 0.000 121.130 121.223 -0.154 0.000 2.949 114 L HA 0.000 4.341 4.340 0.002 0.000 0.249 114 L CA 0.000 54.763 54.840 -0.129 0.000 0.813 114 L CB 0.000 42.013 42.059 -0.077 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502