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 3h3v_1_L 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 0.000 176.273 176.300 -0.045 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.033 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 N N 1.306 119.976 118.700 -0.051 0.000 2.405 2 N HA 0.366 5.106 4.740 0.000 0.000 0.175 2 N C 0.157 175.607 175.510 -0.100 0.000 1.051 2 N CA 0.830 53.841 53.050 -0.066 0.000 0.899 2 N CB -0.104 38.350 38.487 -0.054 0.000 1.000 2 N HN 0.568 nan 8.380 nan 0.000 0.451 3 A N 3.952 126.707 122.820 -0.108 0.000 2.608 3 A HA 0.003 4.323 4.320 0.000 0.000 0.246 3 A C -1.474 176.021 177.584 -0.150 0.000 0.998 3 A CA -0.473 51.482 52.037 -0.137 0.000 0.796 3 A CB -0.509 18.426 19.000 -0.108 0.000 0.895 3 A HN 0.163 nan 8.150 nan 0.000 0.508 4 P HA 0.034 nan 4.420 nan 0.000 0.272 4 P C -0.476 176.686 177.300 -0.230 0.000 1.248 4 P CA -0.330 62.658 63.100 -0.186 0.000 0.799 4 P CB 0.470 32.067 31.700 -0.171 0.000 0.997 5 D N 0.691 120.885 120.400 -0.342 0.000 2.312 5 D HA 0.022 4.662 4.640 0.000 0.000 0.252 5 D C 1.529 177.512 176.300 -0.527 0.000 1.150 5 D CA -0.286 53.381 54.000 -0.556 0.000 0.870 5 D CB 0.685 40.869 40.800 -1.028 0.000 1.153 5 D HN 0.126 nan 8.370 nan 0.000 0.457 6 R N 3.018 123.325 120.500 -0.323 0.000 2.162 6 R HA -0.244 4.097 4.340 0.000 0.000 0.245 6 R C 2.035 178.358 176.300 0.038 0.000 1.129 6 R CA 1.454 57.498 56.100 -0.093 0.000 0.940 6 R CB -1.339 28.968 30.300 0.013 0.000 0.875 6 R HN 0.683 nan 8.270 nan 0.000 0.437 7 F N 1.266 121.274 119.950 0.097 0.000 2.549 7 F HA -0.061 4.466 4.527 0.000 0.000 0.295 7 F C 1.014 176.661 175.800 -0.254 0.000 1.124 7 F CA 0.484 58.436 58.000 -0.081 0.000 1.482 7 F CB -0.955 37.904 39.000 -0.235 0.000 1.108 7 F HN 0.103 nan 8.300 nan 0.000 0.602 8 E N 0.495 120.760 120.200 0.108 0.000 2.489 8 E HA 0.096 4.446 4.350 0.000 0.000 0.193 8 E C 1.818 178.503 176.600 0.143 0.000 1.057 8 E CA -0.014 56.447 56.400 0.101 0.000 0.866 8 E CB -0.087 29.597 29.700 -0.028 0.000 0.916 8 E HN 0.546 nan 8.360 nan 0.000 0.500 9 L N -0.124 121.290 121.223 0.319 0.000 2.554 9 L HA 0.062 4.402 4.340 0.000 0.000 0.226 9 L C 1.506 178.693 176.870 0.527 0.000 1.137 9 L CA 0.828 55.901 54.840 0.389 0.000 0.863 9 L CB -0.211 42.059 42.059 0.352 0.000 0.985 9 L HN 0.271 nan 8.230 nan 0.000 0.451 10 F N -4.128 115.881 119.950 0.099 0.000 2.839 10 F HA 0.294 4.822 4.527 0.000 0.000 0.355 10 F C 0.554 176.392 175.800 0.063 0.000 0.904 10 F CA -0.756 57.292 58.000 0.081 0.000 1.098 10 F CB 0.368 39.412 39.000 0.074 0.000 0.982 10 F HN -0.351 nan 8.300 nan 0.000 0.600 11 L N 4.375 125.405 121.223 -0.322 0.000 2.331 11 L HA 0.326 4.666 4.340 0.000 0.000 0.278 11 L C -0.446 176.362 176.870 -0.104 0.000 1.106 11 L CA -0.391 54.290 54.840 -0.265 0.000 0.824 11 L CB 1.310 43.116 42.059 -0.422 0.000 1.142 11 L HN 0.138 nan 8.230 nan 0.000 0.443 12 L N 3.212 124.391 121.223 -0.074 0.000 2.331 12 L HA 0.461 4.801 4.340 0.000 0.000 0.278 12 L C 0.936 177.767 176.870 -0.064 0.000 1.106 12 L CA 0.047 54.858 54.840 -0.048 0.000 0.824 12 L CB 0.395 42.431 42.059 -0.039 0.000 1.142 12 L HN 0.584 nan 8.230 nan 0.000 0.443 13 G N 0.873 109.643 108.800 -0.049 0.000 2.420 13 G HA2 0.289 4.249 3.960 0.000 0.000 0.284 13 G HA3 0.289 4.249 3.960 0.000 0.000 0.284 13 G C -0.316 174.555 174.900 -0.048 0.000 1.177 13 G CA -0.560 44.511 45.100 -0.048 0.000 0.841 13 G HN 0.747 nan 8.290 nan 0.000 0.527 14 E N 0.170 120.341 120.200 -0.048 0.000 2.032 14 E HA -0.081 4.269 4.350 0.000 0.000 0.352 14 E C 1.097 177.672 176.600 -0.041 0.000 0.649 14 E CA 0.937 57.311 56.400 -0.044 0.000 1.307 14 E CB -0.560 29.117 29.700 -0.037 0.000 0.491 14 E HN 1.460 nan 8.360 nan 0.000 0.414 15 G N 4.531 113.307 108.800 -0.041 0.000 2.292 15 G HA2 -0.270 3.690 3.960 0.000 0.000 0.221 15 G HA3 -0.270 3.690 3.960 0.000 0.000 0.221 15 G C -0.297 174.579 174.900 -0.041 0.000 0.657 15 G CA 0.818 45.895 45.100 -0.039 0.000 1.036 15 G HN 0.589 nan 8.290 nan 0.000 0.309 16 E N 1.109 121.282 120.200 -0.044 0.000 2.683 16 E HA 0.159 4.509 4.350 0.000 0.000 0.389 16 E C -0.177 176.391 176.600 -0.053 0.000 1.040 16 E CA -0.524 55.848 56.400 -0.047 0.000 0.739 16 E CB 0.578 30.251 29.700 -0.044 0.000 1.597 16 E HN 0.400 nan 8.360 nan 0.000 0.381 17 S N 2.712 118.375 115.700 -0.062 0.000 2.544 17 S HA -0.017 4.453 4.470 0.000 0.000 0.290 17 S C 1.501 176.044 174.600 -0.095 0.000 1.276 17 S CA -0.204 57.952 58.200 -0.073 0.000 1.075 17 S CB 0.593 63.745 63.200 -0.080 0.000 0.849 17 S HN 0.369 nan 8.310 nan 0.000 0.494 18 K N 1.899 122.249 120.400 -0.084 0.000 2.117 18 K HA -0.163 4.157 4.320 0.000 0.000 0.215 18 K C 0.547 177.025 176.600 -0.204 0.000 1.053 18 K CA 1.562 57.792 56.287 -0.094 0.000 0.935 18 K CB -0.284 32.179 32.500 -0.062 0.000 0.719 18 K HN 0.553 nan 8.250 nan 0.000 0.460 19 L N 0.341 121.416 121.223 -0.248 0.000 2.331 19 L HA 0.345 4.685 4.340 0.000 0.000 0.275 19 L C 0.021 176.744 176.870 -0.246 0.000 1.022 19 L CA -0.607 54.008 54.840 -0.375 0.000 0.812 19 L CB 1.697 43.500 42.059 -0.428 0.000 1.257 19 L HN -0.066 nan 8.230 nan 0.000 0.435 20 K N 3.673 123.921 120.400 -0.253 0.000 2.619 20 K HA 0.482 4.802 4.320 0.000 0.000 0.251 20 K C -1.761 174.754 176.600 -0.143 0.000 0.987 20 K CA -0.419 55.776 56.287 -0.153 0.000 0.844 20 K CB 1.778 34.211 32.500 -0.112 0.000 1.237 20 K HN 0.521 nan 8.250 nan 0.000 0.447 21 I N 3.878 124.385 120.570 -0.105 0.000 2.355 21 I HA 0.250 4.420 4.170 0.000 0.000 0.288 21 I C -0.683 175.409 176.117 -0.041 0.000 0.999 21 I CA -0.691 60.565 61.300 -0.074 0.000 1.163 21 I CB 1.532 39.490 38.000 -0.071 0.000 1.316 21 I HN 0.419 nan 8.210 nan 0.000 0.454 22 D N 8.530 128.915 120.400 -0.024 0.000 2.278 22 D HA 0.328 4.968 4.640 0.000 0.000 0.245 22 D C -2.449 173.851 176.300 0.000 0.000 1.052 22 D CA -1.247 52.747 54.000 -0.010 0.000 0.834 22 D CB 2.168 42.966 40.800 -0.004 0.000 1.194 22 D HN 0.226 nan 8.370 nan 0.000 0.481 23 P HA 0.052 nan 4.420 nan 0.000 0.276 23 P C -0.348 176.961 177.300 0.016 0.000 1.243 23 P CA -0.285 62.819 63.100 0.007 0.000 0.768 23 P CB 1.208 32.911 31.700 0.004 0.000 0.856 24 D N 2.964 123.379 120.400 0.025 0.000 2.312 24 D HA 0.070 4.710 4.640 0.000 0.000 0.252 24 D C 0.551 176.869 176.300 0.030 0.000 1.150 24 D CA 0.078 54.099 54.000 0.034 0.000 0.870 24 D CB 0.885 41.716 40.800 0.052 0.000 1.153 24 D HN 0.208 nan 8.370 nan 0.000 0.457 25 T N 3.599 118.169 114.554 0.026 0.000 3.051 25 T HA -0.026 4.324 4.350 0.000 0.000 0.255 25 T C 1.783 176.497 174.700 0.024 0.000 1.085 25 T CA -0.009 62.104 62.100 0.022 0.000 1.109 25 T CB 0.348 69.226 68.868 0.017 0.000 0.921 25 T HN 0.358 nan 8.240 nan 0.000 0.488 26 K N 1.835 122.251 120.400 0.028 0.000 2.144 26 K HA -0.035 4.285 4.320 0.000 0.000 0.209 26 K C 0.921 177.536 176.600 0.025 0.000 1.047 26 K CA 1.022 57.325 56.287 0.026 0.000 0.927 26 K CB -0.270 32.250 32.500 0.033 0.000 0.716 26 K HN 0.467 nan 8.250 nan 0.000 0.454 27 A N 1.063 123.903 122.820 0.033 0.000 2.515 27 A HA 0.471 4.791 4.320 0.000 0.000 0.298 27 A C -2.656 174.949 177.584 0.034 0.000 1.059 27 A CA -1.448 50.608 52.037 0.032 0.000 0.698 27 A CB 1.499 20.522 19.000 0.038 0.000 1.289 27 A HN -0.121 nan 8.150 nan 0.000 0.404 28 P HA 0.010 nan 4.420 nan 0.000 0.267 28 P C -0.191 177.126 177.300 0.030 0.000 1.200 28 P CA 0.123 63.239 63.100 0.026 0.000 0.772 28 P CB 0.335 32.049 31.700 0.023 0.000 0.855 29 N N 0.885 119.599 118.700 0.023 0.000 2.493 29 N HA -0.165 4.575 4.740 0.000 0.000 0.300 29 N C -1.072 174.450 175.510 0.019 0.000 1.407 29 N CA 1.437 54.497 53.050 0.016 0.000 0.656 29 N CB -0.951 37.545 38.487 0.015 0.000 0.995 29 N HN 0.819 nan 8.380 nan 0.000 0.497 30 A N 1.447 124.275 122.820 0.014 0.000 2.549 30 A HA 0.601 4.921 4.320 0.000 0.000 0.297 30 A C -1.300 176.293 177.584 0.015 0.000 0.983 30 A CA -0.128 51.921 52.037 0.019 0.000 0.654 30 A CB 1.137 20.174 19.000 0.062 0.000 1.319 30 A HN 0.648 nan 8.150 nan 0.000 0.428 31 V N -0.605 119.315 119.914 0.011 0.000 3.216 31 V HA 0.735 4.855 4.120 0.000 0.000 0.302 31 V C -0.922 175.189 176.094 0.028 0.000 1.286 31 V CA -0.751 61.557 62.300 0.014 0.000 1.048 31 V CB 2.148 33.970 31.823 -0.002 0.000 1.081 31 V HN 1.187 nan 8.190 nan 0.000 0.442 32 V N 2.986 122.920 119.914 0.034 0.000 2.443 32 V HA 0.533 4.653 4.120 0.000 0.000 0.293 32 V C -0.562 175.560 176.094 0.046 0.000 1.021 32 V CA -0.254 62.080 62.300 0.056 0.000 0.848 32 V CB 1.506 33.364 31.823 0.058 0.000 0.998 32 V HN 0.656 nan 8.190 nan 0.000 0.424 33 I N 3.423 124.048 120.570 0.091 0.000 2.336 33 I HA 0.358 4.528 4.170 0.000 0.000 0.292 33 I C 0.425 176.580 176.117 0.063 0.000 0.991 33 I CA -0.111 61.203 61.300 0.022 0.000 1.227 33 I CB 1.684 39.700 38.000 0.026 0.000 1.366 33 I HN 0.436 nan 8.210 nan 0.000 0.466 34 T N 6.766 121.272 114.554 -0.079 0.000 2.738 34 T HA 0.392 4.742 4.350 0.000 0.000 0.298 34 T C -0.379 174.195 174.700 -0.209 0.000 0.962 34 T CA -0.177 61.885 62.100 -0.064 0.000 0.972 34 T CB -0.184 68.652 68.868 -0.054 0.000 0.928 34 T HN 0.102 nan 8.240 nan 0.000 0.474 35 F N 3.397 123.055 119.950 -0.487 0.000 2.404 35 F HA 0.330 4.857 4.527 0.000 0.000 0.358 35 F C 1.096 176.673 175.800 -0.373 0.000 1.120 35 F CA -0.971 56.688 58.000 -0.569 0.000 1.144 35 F CB 0.658 38.895 39.000 -1.273 0.000 1.133 35 F HN 0.344 nan 8.300 nan 0.000 0.495 36 E N 3.101 123.255 120.200 -0.075 0.000 2.283 36 E HA 0.170 4.520 4.350 0.000 0.000 0.267 36 E C 0.214 176.844 176.600 0.051 0.000 1.045 36 E CA -0.550 55.842 56.400 -0.014 0.000 0.884 36 E CB 0.737 30.419 29.700 -0.030 0.000 1.106 36 E HN 0.307 nan 8.360 nan 0.000 0.408 37 K N 1.035 121.482 120.400 0.079 0.000 3.213 37 K HA -0.212 4.108 4.320 0.000 0.000 0.266 37 K C -0.011 176.696 176.600 0.179 0.000 0.911 37 K CA 1.005 57.371 56.287 0.132 0.000 0.684 37 K CB -1.052 31.516 32.500 0.114 0.000 1.402 37 K HN 0.413 nan 8.250 nan 0.000 0.465 38 E N 0.151 120.470 120.200 0.199 0.000 2.446 38 E HA 0.495 4.846 4.350 0.000 0.000 0.267 38 E C 0.154 176.954 176.600 0.334 0.000 0.955 38 E CA -0.452 56.119 56.400 0.286 0.000 0.842 38 E CB 1.800 31.726 29.700 0.377 0.000 1.504 38 E HN 0.303 nan 8.360 nan 0.000 0.438 39 D N -1.766 118.851 120.400 0.361 0.000 3.376 39 D HA 0.086 4.727 4.640 0.000 0.000 0.344 39 D C 0.863 177.128 176.300 -0.059 0.000 1.428 39 D CA -0.314 53.786 54.000 0.167 0.000 0.949 39 D CB 0.164 41.026 40.800 0.104 0.000 1.451 39 D HN 0.337 nan 8.370 nan 0.000 0.578 40 H N 0.404 119.464 119.070 -0.016 0.000 2.252 40 H HA -0.125 4.431 4.556 0.000 0.000 0.292 40 H C 1.698 176.976 175.328 -0.083 0.000 1.082 40 H CA 2.709 58.739 56.048 -0.030 0.000 1.229 40 H CB -0.818 28.954 29.762 0.017 0.000 1.353 40 H HN 0.494 nan 8.280 nan 0.000 0.488 41 T N 1.394 116.012 114.554 0.107 0.000 2.578 41 T HA -0.264 4.086 4.350 0.000 0.000 0.252 41 T C 2.168 176.856 174.700 -0.020 0.000 1.192 41 T CA 2.204 64.323 62.100 0.032 0.000 1.143 41 T CB -0.733 68.161 68.868 0.043 0.000 0.848 41 T HN 0.259 nan 8.240 nan 0.000 0.450 42 L N -0.156 121.063 121.223 -0.007 0.000 2.446 42 L HA 0.279 4.619 4.340 0.000 0.000 0.219 42 L C 2.274 179.029 176.870 -0.192 0.000 1.116 42 L CA 0.818 55.651 54.840 -0.013 0.000 0.844 42 L CB -0.470 41.672 42.059 0.138 0.000 0.970 42 L HN 0.344 nan 8.230 nan 0.000 0.457 43 G N -0.057 108.451 108.800 -0.488 0.000 2.605 43 G HA2 -0.314 3.646 3.960 0.000 0.000 0.215 43 G HA3 -0.314 3.646 3.960 0.000 0.000 0.215 43 G C 1.183 175.618 174.900 -0.775 0.000 1.279 43 G CA 0.725 45.219 45.100 -1.009 0.000 0.831 43 G HN 0.411 nan 8.290 nan 0.000 0.560 44 N N 0.165 118.419 118.700 -0.743 0.000 2.089 44 N HA -0.189 4.551 4.740 0.000 0.000 0.198 44 N C 2.106 177.331 175.510 -0.474 0.000 1.017 44 N CA 1.707 54.299 53.050 -0.764 0.000 0.880 44 N CB -0.447 37.861 38.487 -0.299 0.000 1.042 44 N HN 0.222 nan 8.380 nan 0.000 0.446 45 L N 0.721 121.762 121.223 -0.303 0.000 1.989 45 L HA 0.007 4.347 4.340 0.000 0.000 0.211 45 L C 1.865 178.628 176.870 -0.178 0.000 1.071 45 L CA 1.624 56.350 54.840 -0.189 0.000 0.749 45 L CB -0.635 41.354 42.059 -0.117 0.000 0.890 45 L HN 0.330 nan 8.230 nan 0.000 0.431 46 I N -0.714 119.741 120.570 -0.191 0.000 3.334 46 I HA -0.124 4.046 4.170 0.000 0.000 0.282 46 I C 2.335 178.351 176.117 -0.168 0.000 1.313 46 I CA 0.222 61.448 61.300 -0.122 0.000 1.396 46 I CB -0.474 37.490 38.000 -0.060 0.000 1.054 46 I HN 0.312 nan 8.210 nan 0.000 0.495 47 R N 1.551 121.875 120.500 -0.293 0.000 2.087 47 R HA 0.101 4.441 4.340 0.000 0.000 0.216 47 R C 2.207 178.385 176.300 -0.203 0.000 1.114 47 R CA 1.388 57.307 56.100 -0.301 0.000 1.002 47 R CB -0.259 29.712 30.300 -0.549 0.000 0.903 47 R HN 0.267 nan 8.270 nan 0.000 0.445 48 A N 1.762 124.463 122.820 -0.199 0.000 1.825 48 A HA -0.113 4.207 4.320 0.000 0.000 0.214 48 A C 1.938 179.473 177.584 -0.082 0.000 1.206 48 A CA 1.290 53.252 52.037 -0.126 0.000 0.609 48 A CB -0.667 18.262 19.000 -0.119 0.000 0.851 48 A HN 0.295 nan 8.150 nan 0.000 0.445 49 E N -0.261 119.895 120.200 -0.073 0.000 2.187 49 E HA -0.195 4.155 4.350 0.000 0.000 0.199 49 E C 1.882 178.466 176.600 -0.027 0.000 1.004 49 E CA 0.895 57.272 56.400 -0.039 0.000 0.813 49 E CB -0.376 29.306 29.700 -0.030 0.000 0.736 49 E HN 0.625 nan 8.360 nan 0.000 0.468 50 L N 0.176 121.373 121.223 -0.045 0.000 2.291 50 L HA -0.094 4.246 4.340 0.000 0.000 0.214 50 L C 1.615 178.466 176.870 -0.031 0.000 1.120 50 L CA 0.266 55.086 54.840 -0.033 0.000 0.799 50 L CB 0.116 42.141 42.059 -0.056 0.000 0.925 50 L HN 0.080 nan 8.230 nan 0.000 0.446 51 L N 0.079 121.278 121.223 -0.040 0.000 2.715 51 L HA 0.114 4.454 4.340 0.000 0.000 0.238 51 L C 0.933 177.803 176.870 -0.000 0.000 1.212 51 L CA 0.576 55.404 54.840 -0.021 0.000 1.017 51 L CB -0.821 41.221 42.059 -0.029 0.000 1.269 51 L HN 0.156 nan 8.230 nan 0.000 0.452 52 N N -1.178 117.526 118.700 0.007 0.000 2.591 52 N HA 0.009 4.749 4.740 0.000 0.000 0.200 52 N C 0.145 175.676 175.510 0.034 0.000 1.040 52 N CA 0.143 53.203 53.050 0.016 0.000 0.911 52 N CB -0.051 38.443 38.487 0.011 0.000 1.259 52 N HN 0.219 nan 8.380 nan 0.000 0.438 53 D N 1.941 122.370 120.400 0.049 0.000 2.518 53 D HA -0.082 4.558 4.640 0.000 0.000 0.270 53 D C 0.319 176.671 176.300 0.086 0.000 1.338 53 D CA 0.269 54.319 54.000 0.085 0.000 0.983 53 D CB 0.344 41.224 40.800 0.133 0.000 1.126 53 D HN 0.163 nan 8.370 nan 0.000 0.543 54 R N 2.775 123.319 120.500 0.074 0.000 2.343 54 R HA -0.027 4.313 4.340 0.000 0.000 0.202 54 R C 1.526 177.883 176.300 0.095 0.000 1.023 54 R CA 0.252 56.394 56.100 0.069 0.000 1.084 54 R CB 0.395 30.724 30.300 0.049 0.000 0.956 54 R HN 0.236 nan 8.270 nan 0.000 0.478 55 K N 0.261 120.751 120.400 0.151 0.000 2.393 55 K HA 0.097 4.417 4.320 0.000 0.000 0.193 55 K C -0.047 176.657 176.600 0.173 0.000 1.026 55 K CA 0.300 56.725 56.287 0.230 0.000 1.064 55 K CB 0.822 33.599 32.500 0.462 0.000 0.833 55 K HN -0.049 nan 8.250 nan 0.000 0.521 56 V N 3.211 123.186 119.914 0.103 0.000 2.339 56 V HA 0.071 4.191 4.120 0.000 0.000 0.261 56 V C 1.604 177.733 176.094 0.058 0.000 1.058 56 V CA 0.021 62.338 62.300 0.028 0.000 0.897 56 V CB 0.644 32.466 31.823 -0.002 0.000 1.052 56 V HN 0.186 nan 8.190 nan 0.000 0.480 57 L N 4.562 125.827 121.223 0.069 0.000 2.079 57 L HA -0.002 4.339 4.340 0.000 0.000 0.210 57 L C 0.540 177.536 176.870 0.210 0.000 1.081 57 L CA 1.736 56.643 54.840 0.112 0.000 0.752 57 L CB -0.085 42.035 42.059 0.101 0.000 0.896 57 L HN 0.589 nan 8.230 nan 0.000 0.433 58 F N -0.841 119.110 119.950 0.002 0.000 2.690 58 F HA 0.610 5.137 4.527 0.000 0.000 0.311 58 F C -1.576 174.230 175.800 0.010 0.000 1.111 58 F CA -0.998 57.007 58.000 0.008 0.000 1.003 58 F CB 1.100 40.107 39.000 0.012 0.000 1.283 58 F HN -0.283 nan 8.300 nan 0.000 0.442 59 A N 3.677 125.846 122.820 -1.086 0.000 2.500 59 A HA 0.921 5.241 4.320 0.000 0.000 0.291 59 A C -1.904 175.271 177.584 -0.681 0.000 1.048 59 A CA 0.109 51.568 52.037 -0.964 0.000 0.791 59 A CB 0.745 19.519 19.000 -0.377 0.000 1.309 59 A HN 2.025 nan 8.150 nan 0.000 0.397 60 A N 1.540 124.016 122.820 -0.573 0.000 2.564 60 A HA 1.039 5.359 4.320 0.000 0.000 0.288 60 A C -0.868 176.785 177.584 0.115 0.000 1.164 60 A CA -0.186 51.814 52.037 -0.061 0.000 0.712 60 A CB 1.043 20.175 19.000 0.220 0.000 1.303 60 A HN 2.167 nan 8.150 nan 0.000 0.418 61 Y N -0.814 119.468 120.300 -0.030 0.000 2.829 61 Y HA 0.838 5.388 4.550 0.000 0.000 0.322 61 Y C -1.014 174.903 175.900 0.029 0.000 1.357 61 Y CA -0.958 57.147 58.100 0.007 0.000 1.081 61 Y CB 1.459 39.857 38.460 -0.103 0.000 1.339 61 Y HN 0.991 nan 8.280 nan 0.000 0.469 62 K N 0.015 120.069 120.400 -0.576 0.000 2.774 62 K HA 0.475 4.795 4.320 0.000 0.000 0.283 62 K C -2.037 174.341 176.600 -0.370 0.000 1.050 62 K CA -0.865 55.071 56.287 -0.584 0.000 0.872 62 K CB 1.633 34.027 32.500 -0.176 0.000 1.434 62 K HN 0.899 nan 8.250 nan 0.000 0.372 63 V N -0.001 119.706 119.914 -0.344 0.000 2.406 63 V HA 0.281 4.401 4.120 0.000 0.000 0.272 63 V C 1.050 177.099 176.094 -0.076 0.000 1.043 63 V CA -0.344 61.844 62.300 -0.186 0.000 0.915 63 V CB 1.319 33.018 31.823 -0.206 0.000 0.988 63 V HN 0.886 nan 8.190 nan 0.000 0.466 64 E N 2.492 122.681 120.200 -0.018 0.000 2.077 64 E HA -0.095 4.255 4.350 0.000 0.000 0.193 64 E C 0.497 177.096 176.600 -0.002 0.000 0.989 64 E CA 2.026 58.419 56.400 -0.012 0.000 0.800 64 E CB 0.021 29.722 29.700 0.002 0.000 0.746 64 E HN 1.058 nan 8.360 nan 0.000 0.452 65 H N -2.228 116.746 119.070 -0.160 0.000 3.141 65 H HA 0.042 4.598 4.556 0.000 0.000 0.309 65 H C -2.159 173.077 175.328 -0.153 0.000 1.083 65 H CA -0.820 55.091 56.048 -0.228 0.000 1.466 65 H CB 1.569 31.096 29.762 -0.392 0.000 2.095 65 H HN -0.227 nan 8.280 nan 0.000 0.467 66 P HA -0.303 nan 4.420 nan 0.000 0.222 66 P C 1.368 178.959 177.300 0.485 0.000 1.154 66 P CA 1.627 64.864 63.100 0.229 0.000 0.874 66 P CB -0.112 31.629 31.700 0.069 0.000 0.787 67 F N -1.289 118.917 119.950 0.427 0.000 2.161 67 F HA -0.097 4.430 4.527 0.000 0.000 0.300 67 F C 1.563 177.699 175.800 0.561 0.000 1.089 67 F CA 0.142 58.343 58.000 0.335 0.000 1.282 67 F CB -0.287 38.788 39.000 0.126 0.000 1.010 67 F HN -0.161 nan 8.300 nan 0.000 0.485 68 F N -0.073 120.024 119.950 0.244 0.000 2.443 68 F HA 0.530 5.057 4.527 0.000 0.000 0.335 68 F C 0.245 176.117 175.800 0.120 0.000 1.104 68 F CA -1.548 56.530 58.000 0.130 0.000 1.013 68 F CB 1.143 40.186 39.000 0.071 0.000 1.136 68 F HN -0.353 nan 8.300 nan 0.000 0.470 69 A N 5.382 128.370 122.820 0.279 0.000 2.415 69 A HA 0.673 4.993 4.320 0.000 0.000 0.309 69 A C -0.263 177.430 177.584 0.183 0.000 1.356 69 A CA -0.364 51.798 52.037 0.209 0.000 0.998 69 A CB -0.158 18.956 19.000 0.190 0.000 1.145 69 A HN 0.965 nan 8.150 nan 0.000 0.545 70 R N 1.021 121.628 120.500 0.179 0.000 3.112 70 R HA 0.566 4.906 4.340 0.000 0.000 0.271 70 R C -1.388 175.002 176.300 0.149 0.000 1.008 70 R CA -0.807 55.365 56.100 0.120 0.000 0.903 70 R CB 0.349 30.716 30.300 0.110 0.000 1.267 70 R HN 0.980 nan 8.270 nan 0.000 0.514 71 F N -0.828 119.144 119.950 0.037 0.000 2.619 71 F HA 0.661 5.188 4.527 0.000 0.000 0.308 71 F C -1.263 174.564 175.800 0.046 0.000 1.097 71 F CA -1.204 56.749 58.000 -0.077 0.000 0.953 71 F CB 2.117 40.961 39.000 -0.261 0.000 1.287 71 F HN 0.433 nan 8.300 nan 0.000 0.446 72 K N 2.506 123.024 120.400 0.196 0.000 2.156 72 K HA 0.632 4.952 4.320 0.000 0.000 0.271 72 K C -1.652 175.140 176.600 0.320 0.000 0.995 72 K CA -0.990 55.410 56.287 0.188 0.000 0.890 72 K CB 1.968 34.535 32.500 0.112 0.000 1.073 72 K HN 0.711 nan 8.250 nan 0.000 0.454 73 L N 3.590 125.022 121.223 0.348 0.000 2.325 73 L HA 0.373 4.713 4.340 0.000 0.000 0.281 73 L C -0.848 176.133 176.870 0.184 0.000 1.004 73 L CA -0.321 54.717 54.840 0.330 0.000 0.823 73 L CB 1.344 43.670 42.059 0.445 0.000 1.236 73 L HN 0.547 nan 8.230 nan 0.000 0.415 74 R N 6.527 127.068 120.500 0.069 0.000 2.246 74 R HA 0.633 4.974 4.340 0.000 0.000 0.332 74 R C -1.562 174.636 176.300 -0.171 0.000 0.974 74 R CA -0.469 55.623 56.100 -0.013 0.000 0.837 74 R CB 0.542 30.858 30.300 0.026 0.000 1.145 74 R HN 0.780 nan 8.270 nan 0.000 0.467 75 I N 3.950 124.461 120.570 -0.098 0.000 2.389 75 I HA 0.296 4.466 4.170 0.000 0.000 0.288 75 I C -0.380 175.678 176.117 -0.099 0.000 0.999 75 I CA -0.723 60.489 61.300 -0.146 0.000 1.129 75 I CB 1.917 39.865 38.000 -0.086 0.000 1.288 75 I HN 0.544 nan 8.210 nan 0.000 0.444 76 Q N 5.213 124.956 119.800 -0.095 0.000 2.365 76 Q HA 0.668 5.008 4.340 0.000 0.000 0.269 76 Q C -0.897 175.087 176.000 -0.028 0.000 1.061 76 Q CA -0.484 55.315 55.803 -0.007 0.000 0.816 76 Q CB 2.778 31.593 28.738 0.128 0.000 1.325 76 Q HN 0.849 nan 8.270 nan 0.000 0.446 77 T N -1.139 113.385 114.554 -0.049 0.000 2.669 77 T HA 0.536 4.886 4.350 0.000 0.000 0.283 77 T C -0.451 174.255 174.700 0.011 0.000 1.019 77 T CA -0.610 61.455 62.100 -0.059 0.000 1.039 77 T CB 1.098 69.813 68.868 -0.256 0.000 1.374 77 T HN 0.550 nan 8.240 nan 0.000 0.523 78 T N 0.606 115.196 114.554 0.060 0.000 2.780 78 T HA 0.398 4.748 4.350 0.000 0.000 0.294 78 T C 0.223 174.981 174.700 0.096 0.000 0.949 78 T CA -0.699 61.453 62.100 0.087 0.000 1.074 78 T CB 0.661 69.599 68.868 0.117 0.000 0.910 78 T HN 0.863 nan 8.240 nan 0.000 0.501 79 E N 1.725 121.966 120.200 0.068 0.000 2.604 79 E HA 0.154 4.504 4.350 0.000 0.000 0.267 79 E C 1.324 177.977 176.600 0.090 0.000 0.970 79 E CA 1.116 57.554 56.400 0.064 0.000 0.956 79 E CB -0.416 29.312 29.700 0.047 0.000 0.939 79 E HN 1.101 nan 8.360 nan 0.000 0.465 80 G N 3.483 112.338 108.800 0.091 0.000 2.141 80 G HA2 -0.314 3.646 3.960 0.000 0.000 0.231 80 G HA3 -0.314 3.646 3.960 0.000 0.000 0.231 80 G C -0.479 174.525 174.900 0.174 0.000 0.984 80 G CA 0.331 45.491 45.100 0.101 0.000 0.660 80 G HN 0.659 nan 8.290 nan 0.000 0.525 81 Y N 0.738 121.047 120.300 0.015 0.000 2.359 81 Y HA 0.441 4.991 4.550 0.000 0.000 0.336 81 Y C -0.735 175.174 175.900 0.016 0.000 1.098 81 Y CA -1.244 56.865 58.100 0.015 0.000 1.272 81 Y CB 1.208 39.677 38.460 0.016 0.000 1.112 81 Y HN 0.100 nan 8.280 nan 0.000 0.481 82 D N 8.896 129.393 120.400 0.161 0.000 2.412 82 D HA 0.026 4.666 4.640 0.000 0.000 0.257 82 D C -1.531 174.668 176.300 -0.168 0.000 1.217 82 D CA -1.484 52.513 54.000 -0.005 0.000 0.897 82 D CB 1.746 42.573 40.800 0.045 0.000 1.132 82 D HN 0.387 nan 8.370 nan 0.000 0.493 83 P HA -0.177 nan 4.420 nan 0.000 0.221 83 P C 0.974 178.196 177.300 -0.131 0.000 1.145 83 P CA 0.984 63.910 63.100 -0.289 0.000 0.795 83 P CB 0.392 31.975 31.700 -0.195 0.000 0.775 84 K N -0.224 120.139 120.400 -0.062 0.000 2.113 84 K HA -0.165 4.155 4.320 0.000 0.000 0.208 84 K C 1.897 178.505 176.600 0.014 0.000 1.047 84 K CA 1.615 57.892 56.287 -0.016 0.000 0.928 84 K CB -0.402 32.093 32.500 -0.007 0.000 0.716 84 K HN 0.176 nan 8.250 nan 0.000 0.446 85 D N 0.472 120.898 120.400 0.043 0.000 2.084 85 D HA -0.109 4.531 4.640 0.000 0.000 0.196 85 D C 1.957 178.342 176.300 0.141 0.000 0.985 85 D CA 1.306 55.382 54.000 0.127 0.000 0.826 85 D CB -0.227 40.726 40.800 0.254 0.000 0.978 85 D HN 0.169 nan 8.370 nan 0.000 0.456 86 A N 1.064 123.933 122.820 0.082 0.000 1.958 86 A HA -0.221 4.100 4.320 0.000 0.000 0.221 86 A C 2.187 179.804 177.584 0.055 0.000 1.178 86 A CA 1.307 53.384 52.037 0.066 0.000 0.642 86 A CB -0.752 18.115 19.000 -0.222 0.000 0.816 86 A HN 0.249 nan 8.150 nan 0.000 0.453 87 L N -0.501 120.742 121.223 0.033 0.000 2.005 87 L HA -0.118 4.222 4.340 0.000 0.000 0.207 87 L C 2.256 179.170 176.870 0.074 0.000 1.072 87 L CA 2.339 57.216 54.840 0.061 0.000 0.744 87 L CB -0.622 41.480 42.059 0.073 0.000 0.895 87 L HN 0.360 nan 8.230 nan 0.000 0.433 88 K N -0.105 120.336 120.400 0.069 0.000 2.013 88 K HA -0.267 4.053 4.320 0.000 0.000 0.225 88 K C 1.852 178.491 176.600 0.066 0.000 1.056 88 K CA 2.196 58.522 56.287 0.065 0.000 0.971 88 K CB -0.624 31.913 32.500 0.062 0.000 0.731 88 K HN 0.501 nan 8.250 nan 0.000 0.450 89 N N 0.910 119.655 118.700 0.076 0.000 2.037 89 N HA -0.242 4.498 4.740 0.000 0.000 0.196 89 N C 1.915 177.459 175.510 0.057 0.000 1.034 89 N CA 1.656 54.746 53.050 0.067 0.000 0.861 89 N CB -0.788 37.751 38.487 0.086 0.000 1.039 89 N HN 0.284 nan 8.380 nan 0.000 0.427 90 A N 1.360 124.217 122.820 0.062 0.000 1.954 90 A HA -0.272 4.048 4.320 0.000 0.000 0.222 90 A C 2.782 180.390 177.584 0.040 0.000 1.199 90 A CA 2.139 54.203 52.037 0.044 0.000 0.657 90 A CB -1.258 17.767 19.000 0.041 0.000 0.823 90 A HN 0.576 nan 8.150 nan 0.000 0.463 91 C N -0.893 118.439 119.300 0.053 0.000 2.508 91 C HA -0.037 4.423 4.460 0.000 0.000 0.280 91 C C 2.610 177.624 174.990 0.040 0.000 1.262 91 C CA 0.636 59.686 59.018 0.053 0.000 1.706 91 C CB -1.637 26.145 27.740 0.070 0.000 2.078 91 C HN 0.664 nan 8.230 nan 0.000 0.480 92 N N 1.339 120.063 118.700 0.040 0.000 2.021 92 N HA -0.193 4.547 4.740 0.000 0.000 0.198 92 N C 1.948 177.473 175.510 0.026 0.000 1.041 92 N CA 1.962 55.032 53.050 0.032 0.000 0.862 92 N CB -0.802 37.704 38.487 0.032 0.000 1.048 92 N HN 0.514 nan 8.380 nan 0.000 0.427 93 S N 0.875 116.591 115.700 0.027 0.000 2.389 93 S HA -0.130 4.340 4.470 0.000 0.000 0.231 93 S C 2.026 176.635 174.600 0.015 0.000 1.052 93 S CA 1.008 59.220 58.200 0.020 0.000 1.053 93 S CB -0.232 62.981 63.200 0.022 0.000 0.886 93 S HN 0.266 nan 8.310 nan 0.000 0.456 94 I N 0.817 121.396 120.570 0.015 0.000 2.286 94 I HA -0.118 4.053 4.170 0.000 0.000 0.245 94 I C 2.109 178.232 176.117 0.010 0.000 1.104 94 I CA 1.003 62.308 61.300 0.008 0.000 1.397 94 I CB -0.393 37.611 38.000 0.007 0.000 1.072 94 I HN 0.341 nan 8.210 nan 0.000 0.417 95 I N 0.840 121.420 120.570 0.017 0.000 2.142 95 I HA -0.302 3.868 4.170 0.000 0.000 0.240 95 I C 2.276 178.402 176.117 0.014 0.000 1.078 95 I CA 1.352 62.661 61.300 0.016 0.000 1.343 95 I CB -0.841 37.172 38.000 0.020 0.000 1.046 95 I HN 0.279 nan 8.210 nan 0.000 0.405 96 N N 1.571 120.280 118.700 0.015 0.000 2.060 96 N HA -0.212 4.528 4.740 0.000 0.000 0.195 96 N C 1.790 177.308 175.510 0.014 0.000 1.028 96 N CA 1.589 54.648 53.050 0.015 0.000 0.861 96 N CB -0.353 38.143 38.487 0.015 0.000 1.029 96 N HN 0.456 nan 8.380 nan 0.000 0.428 97 K N 0.803 121.210 120.400 0.011 0.000 2.026 97 K HA -0.046 4.274 4.320 0.000 0.000 0.208 97 K C 2.288 178.894 176.600 0.009 0.000 1.048 97 K CA 0.773 57.065 56.287 0.009 0.000 0.929 97 K CB -0.280 32.223 32.500 0.004 0.000 0.713 97 K HN 0.144 nan 8.250 nan 0.000 0.439 98 L N 0.222 121.447 121.223 0.004 0.000 2.046 98 L HA -0.138 4.202 4.340 0.000 0.000 0.208 98 L C 2.561 179.435 176.870 0.007 0.000 1.077 98 L CA 1.367 56.206 54.840 -0.001 0.000 0.747 98 L CB -0.792 41.263 42.059 -0.006 0.000 0.896 98 L HN 0.375 nan 8.230 nan 0.000 0.432 99 G N -0.696 108.111 108.800 0.012 0.000 2.432 99 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 99 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 99 G C 1.709 176.625 174.900 0.027 0.000 1.135 99 G CA 0.846 45.957 45.100 0.018 0.000 0.767 99 G HN 0.484 nan 8.290 nan 0.000 0.550 100 A N 0.607 123.443 122.820 0.027 0.000 1.840 100 A HA 0.166 4.486 4.320 0.000 0.000 0.214 100 A C 2.336 179.949 177.584 0.048 0.000 1.198 100 A CA 1.295 53.352 52.037 0.034 0.000 0.608 100 A CB -0.595 18.422 19.000 0.028 0.000 0.839 100 A HN 0.409 nan 8.150 nan 0.000 0.443 101 L N 0.176 121.425 121.223 0.043 0.000 2.261 101 L HA -0.228 4.112 4.340 0.000 0.000 0.216 101 L C 2.461 179.380 176.870 0.082 0.000 1.114 101 L CA 2.326 57.201 54.840 0.059 0.000 0.777 101 L CB -0.273 41.803 42.059 0.028 0.000 0.910 101 L HN 0.620 nan 8.230 nan 0.000 0.440 102 K N -1.377 119.057 120.400 0.056 0.000 2.031 102 K HA -0.139 4.181 4.320 0.000 0.000 0.205 102 K C 1.781 178.455 176.600 0.124 0.000 1.049 102 K CA 1.899 58.225 56.287 0.065 0.000 0.939 102 K CB -0.543 31.975 32.500 0.030 0.000 0.717 102 K HN 0.141 nan 8.250 nan 0.000 0.438 103 T N 1.367 115.976 114.554 0.092 0.000 2.668 103 T HA -0.075 4.275 4.350 0.000 0.000 0.262 103 T C 1.513 176.276 174.700 0.106 0.000 1.045 103 T CA 1.704 63.858 62.100 0.089 0.000 1.152 103 T CB -0.487 68.416 68.868 0.059 0.000 0.864 103 T HN 0.323 nan 8.240 nan 0.000 0.419 104 N N 0.501 119.262 118.700 0.102 0.000 2.513 104 N HA -0.015 4.725 4.740 0.000 0.000 0.187 104 N C 1.072 176.663 175.510 0.136 0.000 1.056 104 N CA 0.461 53.569 53.050 0.096 0.000 0.907 104 N CB -0.288 38.249 38.487 0.083 0.000 0.954 104 N HN 0.415 nan 8.380 nan 0.000 0.445 105 F N 0.711 120.687 119.950 0.042 0.000 2.505 105 F HA 0.201 4.728 4.527 0.000 0.000 0.289 105 F C 1.786 177.647 175.800 0.101 0.000 1.101 105 F CA 0.397 58.432 58.000 0.059 0.000 1.446 105 F CB 0.258 39.270 39.000 0.019 0.000 1.123 105 F HN -0.034 nan 8.300 nan 0.000 0.564 106 E N -0.228 120.078 120.200 0.176 0.000 2.208 106 E HA -0.119 4.231 4.350 0.000 0.000 0.193 106 E C 1.884 178.525 176.600 0.069 0.000 0.988 106 E CA 1.508 57.986 56.400 0.131 0.000 0.828 106 E CB -0.165 29.622 29.700 0.145 0.000 0.763 106 E HN 0.361 nan 8.360 nan 0.000 0.478 107 T N 1.584 116.159 114.554 0.035 0.000 2.564 107 T HA -0.167 4.183 4.350 0.000 0.000 0.259 107 T C 1.605 176.286 174.700 -0.030 0.000 1.087 107 T CA 1.078 63.184 62.100 0.011 0.000 1.184 107 T CB -0.303 68.572 68.868 0.012 0.000 0.864 107 T HN 0.139 nan 8.240 nan 0.000 0.403 108 E N 0.276 120.434 120.200 -0.069 0.000 2.233 108 E HA -0.186 4.164 4.350 0.000 0.000 0.199 108 E C 1.899 178.416 176.600 -0.138 0.000 1.004 108 E CA 0.886 57.222 56.400 -0.107 0.000 0.819 108 E CB -0.257 29.372 29.700 -0.118 0.000 0.738 108 E HN 0.680 nan 8.360 nan 0.000 0.478 109 W N 2.043 123.119 121.300 -0.373 0.000 2.407 109 W HA -0.132 4.528 4.660 0.000 0.000 0.305 109 W C 1.523 177.944 176.519 -0.163 0.000 1.196 109 W CA 0.917 58.061 57.345 -0.335 0.000 1.311 109 W CB -0.189 29.022 29.460 -0.415 0.000 1.135 109 W HN 0.036 nan 8.180 nan 0.000 0.514 110 N N 1.580 120.234 118.700 -0.077 0.000 2.061 110 N HA -0.199 4.541 4.740 0.000 0.000 0.193 110 N C 1.411 176.795 175.510 -0.211 0.000 1.030 110 N CA 1.930 54.904 53.050 -0.126 0.000 0.856 110 N CB -1.102 37.376 38.487 -0.015 0.000 1.023 110 N HN 0.256 nan 8.380 nan 0.000 0.424 111 L N 1.138 122.261 121.223 -0.167 0.000 2.974 111 L HA 0.140 4.480 4.340 0.000 0.000 0.250 111 L C 0.035 176.776 176.870 -0.215 0.000 1.376 111 L CA 0.254 55.002 54.840 -0.154 0.000 1.170 111 L CB -0.557 41.441 42.059 -0.103 0.000 1.577 111 L HN -0.037 nan 8.230 nan 0.000 0.429 112 Q N 0.702 120.308 119.800 -0.323 0.000 2.389 112 Q HA 0.596 4.936 4.340 0.000 0.000 0.277 112 Q C -0.589 175.205 176.000 -0.344 0.000 1.082 112 Q CA -0.280 55.297 55.803 -0.377 0.000 0.810 112 Q CB 2.985 31.356 28.738 -0.613 0.000 1.374 112 Q HN 0.196 nan 8.270 nan 0.000 0.422 113 T N 1.115 115.518 114.554 -0.251 0.000 2.876 113 T HA 0.885 5.235 4.350 0.000 0.000 0.289 113 T C -0.107 174.500 174.700 -0.154 0.000 1.014 113 T CA -0.658 61.331 62.100 -0.184 0.000 0.986 113 T CB 1.477 70.273 68.868 -0.121 0.000 1.021 113 T HN 0.606 nan 8.240 nan 0.000 0.458 114 L N 0.000 121.150 121.223 -0.122 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.796 54.840 -0.073 0.000 0.813 114 L CB 0.000 42.022 42.059 -0.061 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502