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 1twg_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 0.000 176.272 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.037 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 2 N N -0.028 118.636 118.700 -0.060 0.000 2.187 2 N HA 0.426 5.166 4.740 0.000 0.000 0.212 2 N C -0.940 174.500 175.510 -0.117 0.000 1.152 2 N CA 0.184 53.188 53.050 -0.076 0.000 0.872 2 N CB 0.623 39.068 38.487 -0.070 0.000 1.025 2 N HN 0.671 nan 8.380 nan 0.000 0.514 3 A N 2.273 125.021 122.820 -0.120 0.000 2.520 3 A HA 0.306 4.626 4.320 0.000 0.000 0.245 3 A C -1.907 175.578 177.584 -0.165 0.000 1.072 3 A CA -0.551 51.394 52.037 -0.154 0.000 0.761 3 A CB -0.196 18.732 19.000 -0.120 0.000 1.004 3 A HN 0.117 nan 8.150 nan 0.000 0.499 4 P HA 0.306 nan 4.420 nan 0.000 0.288 4 P C -0.789 176.351 177.300 -0.267 0.000 1.267 4 P CA -0.642 62.334 63.100 -0.207 0.000 0.815 4 P CB 0.831 32.420 31.700 -0.184 0.000 0.989 5 D N 2.065 122.245 120.400 -0.367 0.000 2.449 5 D HA -0.019 4.621 4.640 0.000 0.000 0.236 5 D C 1.420 177.376 176.300 -0.573 0.000 1.149 5 D CA -0.013 53.693 54.000 -0.490 0.000 0.878 5 D CB 1.159 41.397 40.800 -0.938 0.000 1.198 5 D HN 0.252 nan 8.370 nan 0.000 0.446 6 R N 1.494 121.807 120.500 -0.311 0.000 2.148 6 R HA -0.100 4.240 4.340 0.000 0.000 0.227 6 R C 2.132 178.303 176.300 -0.214 0.000 1.103 6 R CA 0.688 56.703 56.100 -0.140 0.000 0.983 6 R CB -0.401 29.912 30.300 0.021 0.000 0.874 6 R HN 0.558 nan 8.270 nan 0.000 0.451 7 F N 0.447 120.281 119.950 -0.194 0.000 2.234 7 F HA -0.003 4.524 4.527 -0.000 0.000 0.299 7 F C 1.501 176.901 175.800 -0.667 0.000 1.087 7 F CA 0.517 58.174 58.000 -0.571 0.000 1.340 7 F CB -0.892 37.918 39.000 -0.316 0.000 1.031 7 F HN -0.092 nan 8.300 nan 0.000 0.500 8 E N 0.968 120.839 120.200 -0.548 0.000 2.393 8 E HA -0.150 4.200 4.350 0.000 0.000 0.201 8 E C 1.809 178.293 176.600 -0.192 0.000 1.025 8 E CA 0.923 57.160 56.400 -0.272 0.000 0.856 8 E CB -0.415 29.124 29.700 -0.268 0.000 0.771 8 E HN 0.549 nan 8.360 nan 0.000 0.526 9 L N -0.440 120.649 121.223 -0.224 0.000 2.478 9 L HA -0.031 4.309 4.340 0.000 0.000 0.223 9 L C 1.402 178.292 176.870 0.033 0.000 1.140 9 L CA 0.469 55.294 54.840 -0.026 0.000 0.842 9 L CB 0.031 42.143 42.059 0.088 0.000 0.953 9 L HN 0.249 nan 8.230 nan 0.000 0.452 10 F N -4.051 115.972 119.950 0.122 0.000 2.925 10 F HA 0.497 5.024 4.527 0.000 0.000 0.359 10 F C -0.190 175.673 175.800 0.106 0.000 1.038 10 F CA -0.815 57.249 58.000 0.107 0.000 1.130 10 F CB 0.265 39.319 39.000 0.090 0.000 1.093 10 F HN -0.280 nan 8.300 nan 0.000 0.561 11 L N 2.223 123.404 121.223 -0.070 0.000 2.408 11 L HA 0.602 4.942 4.340 0.000 0.000 0.268 11 L C -0.872 176.017 176.870 0.033 0.000 0.986 11 L CA -1.261 53.593 54.840 0.022 0.000 0.820 11 L CB 2.022 44.067 42.059 -0.022 0.000 1.303 11 L HN 0.001 nan 8.230 nan 0.000 0.411 12 L N 2.399 123.648 121.223 0.043 0.000 2.326 12 L HA 0.639 4.979 4.340 0.000 0.000 0.278 12 L C 1.045 177.935 176.870 0.033 0.000 1.092 12 L CA 0.122 54.982 54.840 0.033 0.000 0.810 12 L CB 0.982 43.056 42.059 0.024 0.000 1.153 12 L HN 0.712 nan 8.230 nan 0.000 0.439 13 G N 1.236 110.053 108.800 0.029 0.000 2.636 13 G HA2 0.222 4.182 3.960 0.000 0.000 0.246 13 G HA3 0.222 4.182 3.960 0.000 0.000 0.246 13 G C -0.113 174.797 174.900 0.016 0.000 1.216 13 G CA -0.482 44.636 45.100 0.029 0.000 0.854 13 G HN 0.761 nan 8.290 nan 0.000 0.572 14 E N -0.671 119.538 120.200 0.015 0.000 2.418 14 E HA 0.351 4.701 4.350 0.000 0.000 0.261 14 E C 1.449 178.048 176.600 -0.002 0.000 1.070 14 E CA 0.378 56.782 56.400 0.006 0.000 0.931 14 E CB 0.131 29.835 29.700 0.007 0.000 0.954 14 E HN 1.269 nan 8.360 nan 0.000 0.439 15 G N 2.405 111.202 108.800 -0.006 0.000 2.257 15 G HA2 -0.342 3.618 3.960 0.000 0.000 0.267 15 G HA3 -0.342 3.618 3.960 0.000 0.000 0.267 15 G C -0.021 174.870 174.900 -0.015 0.000 0.984 15 G CA 0.755 45.848 45.100 -0.011 0.000 0.626 15 G HN 0.637 nan 8.290 nan 0.000 0.540 16 E N 0.396 120.588 120.200 -0.013 0.000 2.250 16 E HA 0.643 4.993 4.350 0.000 0.000 0.265 16 E C -0.163 176.423 176.600 -0.023 0.000 1.033 16 E CA -0.253 56.135 56.400 -0.020 0.000 0.888 16 E CB 1.380 31.070 29.700 -0.016 0.000 1.151 16 E HN 0.226 nan 8.360 nan 0.000 0.412 17 S N 0.737 116.416 115.700 -0.035 0.000 2.739 17 S HA 0.208 4.678 4.470 0.000 0.000 0.306 17 S C 0.732 175.302 174.600 -0.050 0.000 1.115 17 S CA -0.883 57.292 58.200 -0.042 0.000 0.985 17 S CB 1.479 64.643 63.200 -0.061 0.000 1.133 17 S HN 0.357 nan 8.310 nan 0.000 0.541 18 K N 0.069 120.437 120.400 -0.054 0.000 2.097 18 K HA 0.211 4.531 4.320 0.000 0.000 0.205 18 K C 0.176 176.678 176.600 -0.162 0.000 1.050 18 K CA 1.083 57.334 56.287 -0.062 0.000 0.938 18 K CB -0.343 32.138 32.500 -0.033 0.000 0.718 18 K HN 0.495 nan 8.250 nan 0.000 0.442 19 L N 0.488 121.586 121.223 -0.207 0.000 2.354 19 L HA 0.413 4.753 4.340 0.000 0.000 0.264 19 L C -0.791 175.961 176.870 -0.195 0.000 1.008 19 L CA -0.944 53.708 54.840 -0.313 0.000 0.819 19 L CB 2.219 44.060 42.059 -0.364 0.000 1.339 19 L HN -0.238 nan 8.230 nan 0.000 0.420 20 K N 2.094 122.377 120.400 -0.195 0.000 2.464 20 K HA 0.773 5.093 4.320 0.000 0.000 0.253 20 K C -1.518 175.002 176.600 -0.133 0.000 0.933 20 K CA -0.268 55.941 56.287 -0.130 0.000 0.801 20 K CB 2.974 35.417 32.500 -0.094 0.000 1.271 20 K HN 0.377 nan 8.250 nan 0.000 0.430 21 I N 1.365 121.877 120.570 -0.098 0.000 2.619 21 I HA 0.431 4.601 4.170 0.000 0.000 0.292 21 I C -1.301 174.782 176.117 -0.056 0.000 1.100 21 I CA -0.715 60.534 61.300 -0.084 0.000 1.043 21 I CB 2.312 40.261 38.000 -0.085 0.000 1.239 21 I HN 0.451 nan 8.210 nan 0.000 0.420 22 D N 5.408 125.783 120.400 -0.042 0.000 2.753 22 D HA 0.425 5.065 4.640 0.000 0.000 0.224 22 D C -2.816 173.471 176.300 -0.022 0.000 1.213 22 D CA -1.174 52.808 54.000 -0.031 0.000 0.833 22 D CB 3.163 43.946 40.800 -0.028 0.000 1.607 22 D HN 0.103 nan 8.370 nan 0.000 0.463 23 P HA 0.323 nan 4.420 nan 0.000 0.298 23 P C -0.916 176.374 177.300 -0.016 0.000 1.314 23 P CA -0.572 62.518 63.100 -0.017 0.000 0.854 23 P CB 1.104 32.794 31.700 -0.017 0.000 1.019 24 D N 0.696 121.086 120.400 -0.017 0.000 2.304 24 D HA 0.180 4.820 4.640 0.000 0.000 0.250 24 D C 0.752 177.035 176.300 -0.028 0.000 1.107 24 D CA 0.219 54.204 54.000 -0.024 0.000 0.885 24 D CB 0.743 41.523 40.800 -0.032 0.000 1.192 24 D HN 0.172 nan 8.370 nan 0.000 0.436 25 T N 2.471 117.008 114.554 -0.029 0.000 3.035 25 T HA -0.039 4.311 4.350 0.000 0.000 0.259 25 T C 1.616 176.297 174.700 -0.031 0.000 1.078 25 T CA 0.273 62.357 62.100 -0.026 0.000 1.132 25 T CB 0.122 68.977 68.868 -0.022 0.000 0.900 25 T HN 0.259 nan 8.240 nan 0.000 0.480 26 K N 1.562 121.937 120.400 -0.042 0.000 2.152 26 K HA 0.129 4.449 4.320 0.000 0.000 0.206 26 K C 0.833 177.401 176.600 -0.053 0.000 1.048 26 K CA 0.496 56.752 56.287 -0.051 0.000 0.933 26 K CB -0.244 32.214 32.500 -0.070 0.000 0.721 26 K HN 0.449 nan 8.250 nan 0.000 0.447 27 A N 0.631 123.419 122.820 -0.053 0.000 2.610 27 A HA 0.531 4.851 4.320 0.000 0.000 0.291 27 A C -2.826 174.739 177.584 -0.032 0.000 1.086 27 A CA -1.174 50.834 52.037 -0.049 0.000 0.677 27 A CB 1.587 20.541 19.000 -0.077 0.000 1.278 27 A HN -0.121 nan 8.150 nan 0.000 0.414 28 P HA 0.391 nan 4.420 nan 0.000 0.286 28 P C -0.524 176.775 177.300 -0.002 0.000 1.261 28 P CA -0.165 62.930 63.100 -0.009 0.000 0.821 28 P CB 0.883 32.581 31.700 -0.003 0.000 1.013 29 N N -0.494 118.205 118.700 -0.001 0.000 2.806 29 N HA -0.103 4.637 4.740 0.000 0.000 0.248 29 N C -0.983 174.526 175.510 -0.002 0.000 1.081 29 N CA 1.013 54.064 53.050 0.002 0.000 0.680 29 N CB -1.384 37.111 38.487 0.014 0.000 0.941 29 N HN 0.749 nan 8.380 nan 0.000 0.554 30 A N -0.410 122.406 122.820 -0.006 0.000 2.488 30 A HA 0.772 5.092 4.320 0.000 0.000 0.298 30 A C -0.641 176.943 177.584 -0.000 0.000 1.044 30 A CA -0.402 51.635 52.037 0.000 0.000 0.693 30 A CB 2.502 21.492 19.000 -0.015 0.000 1.272 30 A HN 0.068 nan 8.150 nan 0.000 0.402 31 V N 1.496 121.421 119.914 0.018 0.000 3.102 31 V HA 0.721 4.841 4.120 0.000 0.000 0.312 31 V C -1.002 175.116 176.094 0.039 0.000 1.135 31 V CA -0.469 61.840 62.300 0.014 0.000 1.022 31 V CB 2.460 34.283 31.823 -0.000 0.000 1.056 31 V HN 0.843 nan 8.190 nan 0.000 0.436 32 V N 4.761 124.692 119.914 0.028 0.000 2.409 32 V HA 0.509 4.629 4.120 0.000 0.000 0.290 32 V C -0.374 175.732 176.094 0.019 0.000 1.017 32 V CA -0.367 61.962 62.300 0.049 0.000 0.841 32 V CB 1.442 33.285 31.823 0.035 0.000 1.003 32 V HN 0.621 nan 8.190 nan 0.000 0.426 33 I N 3.486 124.074 120.570 0.029 0.000 2.396 33 I HA 0.414 4.584 4.170 0.000 0.000 0.292 33 I C 0.456 176.541 176.117 -0.054 0.000 0.999 33 I CA 0.021 61.278 61.300 -0.071 0.000 1.310 33 I CB 1.592 39.516 38.000 -0.128 0.000 1.404 33 I HN 0.446 nan 8.210 nan 0.000 0.496 34 T N 6.024 120.514 114.554 -0.107 0.000 2.758 34 T HA 0.438 4.788 4.350 0.000 0.000 0.285 34 T C -0.464 174.139 174.700 -0.162 0.000 0.981 34 T CA -0.261 61.790 62.100 -0.082 0.000 0.965 34 T CB 0.210 69.039 68.868 -0.065 0.000 0.927 34 T HN 0.103 nan 8.240 nan 0.000 0.448 35 F N 3.062 122.751 119.950 -0.434 0.000 2.411 35 F HA 0.292 4.819 4.527 0.000 0.000 0.355 35 F C 1.221 176.881 175.800 -0.233 0.000 1.117 35 F CA -0.590 57.155 58.000 -0.425 0.000 1.139 35 F CB 0.795 39.234 39.000 -0.935 0.000 1.120 35 F HN 0.438 nan 8.300 nan 0.000 0.493 36 E N 3.587 123.802 120.200 0.025 0.000 2.248 36 E HA 0.196 4.546 4.350 0.000 0.000 0.272 36 E C -0.203 176.460 176.600 0.103 0.000 1.008 36 E CA -0.844 55.589 56.400 0.056 0.000 0.856 36 E CB 0.972 30.681 29.700 0.014 0.000 1.120 36 E HN 0.381 nan 8.360 nan 0.000 0.397 37 K N 1.456 121.925 120.400 0.114 0.000 3.311 37 K HA -0.193 4.127 4.320 0.000 0.000 0.270 37 K C -0.418 176.288 176.600 0.178 0.000 0.927 37 K CA 0.989 57.357 56.287 0.135 0.000 0.706 37 K CB -1.321 31.241 32.500 0.105 0.000 1.418 37 K HN 0.479 nan 8.250 nan 0.000 0.459 38 E N 0.663 120.989 120.200 0.209 0.000 2.393 38 E HA 0.480 4.830 4.350 0.000 0.000 0.273 38 E C 0.085 176.852 176.600 0.278 0.000 0.918 38 E CA -0.574 55.985 56.400 0.265 0.000 0.773 38 E CB 2.058 31.966 29.700 0.347 0.000 1.275 38 E HN 0.310 nan 8.360 nan 0.000 0.451 39 D N -1.760 118.716 120.400 0.128 0.000 3.225 39 D HA 0.187 4.827 4.640 0.000 0.000 0.294 39 D C 0.937 177.059 176.300 -0.296 0.000 1.306 39 D CA -0.379 53.585 54.000 -0.060 0.000 1.019 39 D CB 0.069 40.876 40.800 0.011 0.000 1.344 39 D HN 0.300 nan 8.370 nan 0.000 0.615 40 H N -0.586 118.410 119.070 -0.123 0.000 2.422 40 H HA -0.064 4.492 4.556 0.000 0.000 0.298 40 H C 1.444 176.589 175.328 -0.304 0.000 1.098 40 H CA 1.989 57.903 56.048 -0.222 0.000 1.315 40 H CB -0.283 29.449 29.762 -0.049 0.000 1.382 40 H HN 0.398 nan 8.280 nan 0.000 0.523 41 T N 1.677 116.183 114.554 -0.081 0.000 2.607 41 T HA -0.149 4.201 4.350 0.000 0.000 0.267 41 T C 2.184 176.781 174.700 -0.172 0.000 1.049 41 T CA 1.146 63.193 62.100 -0.089 0.000 1.162 41 T CB -0.354 68.492 68.868 -0.037 0.000 0.863 41 T HN 0.049 nan 8.240 nan 0.000 0.424 42 L N 0.957 122.065 121.223 -0.192 0.000 2.072 42 L HA 0.167 4.507 4.340 0.000 0.000 0.205 42 L C 2.695 179.260 176.870 -0.510 0.000 1.079 42 L CA 1.808 56.507 54.840 -0.235 0.000 0.752 42 L CB -1.560 40.445 42.059 -0.090 0.000 0.906 42 L HN 0.363 nan 8.230 nan 0.000 0.436 43 G N -0.736 107.461 108.800 -1.005 0.000 2.480 43 G HA2 -0.385 3.575 3.960 0.000 0.000 0.216 43 G HA3 -0.385 3.575 3.960 0.000 0.000 0.216 43 G C 1.522 175.657 174.900 -1.275 0.000 1.200 43 G CA 0.940 44.986 45.100 -1.758 0.000 0.782 43 G HN 0.437 nan 8.290 nan 0.000 0.554 44 N N -0.100 117.902 118.700 -1.163 0.000 2.272 44 N HA -0.068 4.672 4.740 0.000 0.000 0.185 44 N C 1.986 177.291 175.510 -0.341 0.000 1.014 44 N CA 0.977 53.638 53.050 -0.649 0.000 0.870 44 N CB -0.159 38.158 38.487 -0.284 0.000 0.975 44 N HN 0.320 nan 8.380 nan 0.000 0.433 45 L N -0.272 120.773 121.223 -0.297 0.000 2.084 45 L HA 0.119 4.459 4.340 0.000 0.000 0.202 45 L C 1.833 178.622 176.870 -0.135 0.000 1.074 45 L CA 1.141 55.883 54.840 -0.162 0.000 0.757 45 L CB -0.507 41.471 42.059 -0.134 0.000 0.918 45 L HN 0.024 nan 8.230 nan 0.000 0.444 46 I N -0.145 120.338 120.570 -0.146 0.000 2.113 46 I HA -0.200 3.970 4.170 0.000 0.000 0.238 46 I C 2.644 178.722 176.117 -0.065 0.000 1.070 46 I CA 1.068 62.330 61.300 -0.064 0.000 1.332 46 I CB -1.476 36.513 38.000 -0.018 0.000 1.044 46 I HN 0.392 nan 8.210 nan 0.000 0.402 47 R N 1.466 121.897 120.500 -0.114 0.000 2.165 47 R HA -0.232 4.108 4.340 0.000 0.000 0.254 47 R C 2.076 178.341 176.300 -0.058 0.000 1.153 47 R CA 2.202 58.258 56.100 -0.073 0.000 0.971 47 R CB -0.676 29.557 30.300 -0.111 0.000 0.878 47 R HN 0.446 nan 8.270 nan 0.000 0.449 48 A N 0.422 123.197 122.820 -0.075 0.000 1.970 48 A HA -0.054 4.266 4.320 0.000 0.000 0.216 48 A C 2.033 179.598 177.584 -0.031 0.000 1.170 48 A CA 0.961 52.969 52.037 -0.049 0.000 0.645 48 A CB -0.191 18.777 19.000 -0.053 0.000 0.816 48 A HN 0.280 nan 8.150 nan 0.000 0.447 49 E N 0.285 120.469 120.200 -0.026 0.000 2.028 49 E HA -0.138 4.212 4.350 0.000 0.000 0.191 49 E C 1.964 178.566 176.600 0.005 0.000 0.988 49 E CA 0.985 57.381 56.400 -0.006 0.000 0.799 49 E CB -0.546 29.156 29.700 0.003 0.000 0.755 49 E HN 0.608 nan 8.360 nan 0.000 0.447 50 L N 0.470 121.697 121.223 0.007 0.000 2.211 50 L HA -0.215 4.125 4.340 0.000 0.000 0.216 50 L C 2.183 179.057 176.870 0.007 0.000 1.092 50 L CA 0.640 55.489 54.840 0.015 0.000 0.767 50 L CB -0.304 41.760 42.059 0.008 0.000 0.894 50 L HN 0.058 nan 8.230 nan 0.000 0.437 51 L N -0.680 120.538 121.223 -0.009 0.000 2.629 51 L HA 0.078 4.418 4.340 0.000 0.000 0.230 51 L C 1.609 178.482 176.870 0.005 0.000 1.151 51 L CA 0.657 55.491 54.840 -0.010 0.000 0.924 51 L CB -0.508 41.532 42.059 -0.031 0.000 1.137 51 L HN 0.173 nan 8.230 nan 0.000 0.457 52 N N -0.893 117.814 118.700 0.013 0.000 2.405 52 N HA -0.050 4.690 4.740 0.000 0.000 0.175 52 N C 0.181 175.710 175.510 0.031 0.000 1.051 52 N CA 0.205 53.266 53.050 0.017 0.000 0.899 52 N CB 0.157 38.652 38.487 0.014 0.000 1.000 52 N HN 0.251 nan 8.380 nan 0.000 0.451 53 D N 1.106 121.534 120.400 0.047 0.000 2.349 53 D HA 0.025 4.665 4.640 0.000 0.000 0.266 53 D C 0.958 177.308 176.300 0.083 0.000 1.293 53 D CA 0.146 54.194 54.000 0.081 0.000 0.926 53 D CB 0.496 41.371 40.800 0.125 0.000 1.090 53 D HN 0.008 nan 8.370 nan 0.000 0.502 54 R N 2.505 123.047 120.500 0.070 0.000 2.235 54 R HA -0.052 4.288 4.340 0.000 0.000 0.213 54 R C 1.325 177.680 176.300 0.091 0.000 1.059 54 R CA 0.860 56.998 56.100 0.063 0.000 0.997 54 R CB 0.310 30.633 30.300 0.038 0.000 0.884 54 R HN 0.315 nan 8.270 nan 0.000 0.462 55 K N -0.272 120.217 120.400 0.149 0.000 2.487 55 K HA 0.062 4.382 4.320 0.000 0.000 0.192 55 K C -0.162 176.570 176.600 0.220 0.000 1.027 55 K CA 0.205 56.632 56.287 0.233 0.000 1.054 55 K CB 0.704 33.436 32.500 0.387 0.000 0.824 55 K HN -0.096 nan 8.250 nan 0.000 0.510 56 V N 2.572 122.575 119.914 0.148 0.000 2.372 56 V HA 0.055 4.175 4.120 0.000 0.000 0.261 56 V C 1.095 177.237 176.094 0.079 0.000 1.055 56 V CA 0.092 62.442 62.300 0.083 0.000 0.930 56 V CB 0.580 32.433 31.823 0.051 0.000 1.031 56 V HN 0.285 nan 8.190 nan 0.000 0.479 57 L N 4.470 125.749 121.223 0.093 0.000 2.209 57 L HA 0.273 4.613 4.340 0.000 0.000 0.207 57 L C 0.421 177.392 176.870 0.169 0.000 1.094 57 L CA 1.159 56.067 54.840 0.113 0.000 0.790 57 L CB 0.112 42.242 42.059 0.119 0.000 0.932 57 L HN 0.548 nan 8.230 nan 0.000 0.447 58 F N 0.083 120.047 119.950 0.022 0.000 2.588 58 F HA 0.664 5.191 4.527 0.000 0.000 0.314 58 F C -0.991 174.828 175.800 0.031 0.000 1.134 58 F CA -0.802 57.214 58.000 0.026 0.000 0.961 58 F CB 1.350 40.364 39.000 0.023 0.000 1.239 58 F HN -0.247 nan 8.300 nan 0.000 0.448 59 A N 3.960 126.416 122.820 -0.606 0.000 2.515 59 A HA 1.022 5.342 4.320 0.000 0.000 0.298 59 A C -1.722 175.528 177.584 -0.556 0.000 1.059 59 A CA -0.109 51.653 52.037 -0.458 0.000 0.698 59 A CB 1.557 20.477 19.000 -0.132 0.000 1.289 59 A HN 1.892 nan 8.150 nan 0.000 0.404 60 A N 0.461 123.170 122.820 -0.186 0.000 2.599 60 A HA 0.770 5.090 4.320 0.000 0.000 0.294 60 A C -1.221 176.483 177.584 0.200 0.000 1.055 60 A CA -0.171 51.860 52.037 -0.011 0.000 0.683 60 A CB 0.538 19.507 19.000 -0.051 0.000 1.278 60 A HN 2.234 nan 8.150 nan 0.000 0.412 61 Y N 0.137 120.463 120.300 0.043 0.000 2.638 61 Y HA 0.900 5.450 4.550 0.000 0.000 0.339 61 Y C -0.653 175.297 175.900 0.084 0.000 1.084 61 Y CA -0.882 57.281 58.100 0.106 0.000 1.068 61 Y CB 1.825 40.309 38.460 0.040 0.000 1.294 61 Y HN 0.886 nan 8.280 nan 0.000 0.480 62 K N 1.139 121.496 120.400 -0.073 0.000 2.578 62 K HA 0.565 4.885 4.320 0.000 0.000 0.269 62 K C -2.397 174.220 176.600 0.028 0.000 0.941 62 K CA -0.979 55.203 56.287 -0.175 0.000 0.847 62 K CB 2.353 34.810 32.500 -0.072 0.000 1.397 62 K HN 0.823 nan 8.250 nan 0.000 0.422 63 V N 2.270 122.173 119.914 -0.018 0.000 2.370 63 V HA 0.193 4.313 4.120 0.000 0.000 0.279 63 V C 0.603 176.743 176.094 0.077 0.000 1.029 63 V CA -0.039 62.302 62.300 0.069 0.000 0.870 63 V CB 1.014 32.833 31.823 -0.007 0.000 0.984 63 V HN 0.937 nan 8.190 nan 0.000 0.451 64 E N 4.200 124.472 120.200 0.120 0.000 2.358 64 E HA 0.049 4.399 4.350 0.000 0.000 0.195 64 E C -0.051 176.650 176.600 0.168 0.000 1.010 64 E CA 0.566 57.035 56.400 0.114 0.000 0.856 64 E CB 0.218 29.989 29.700 0.118 0.000 0.795 64 E HN 0.868 nan 8.360 nan 0.000 0.504 65 H N -1.564 117.575 119.070 0.115 0.000 3.085 65 H HA 0.109 4.665 4.556 0.000 0.000 0.356 65 H C -2.318 173.026 175.328 0.027 0.000 1.178 65 H CA -1.655 54.405 56.048 0.020 0.000 1.214 65 H CB 2.060 31.877 29.762 0.091 0.000 1.881 65 H HN -0.236 nan 8.280 nan 0.000 0.538 66 P HA 0.000 nan 4.420 nan 0.000 0.245 66 P C 0.787 178.272 177.300 0.308 0.000 1.212 66 P CA 0.846 64.047 63.100 0.169 0.000 0.774 66 P CB 0.074 31.783 31.700 0.014 0.000 0.999 67 F N -1.251 118.766 119.950 0.112 0.000 2.367 67 F HA 0.063 4.590 4.527 0.000 0.000 0.298 67 F C 0.942 176.477 175.800 -0.441 0.000 1.094 67 F CA 0.050 57.835 58.000 -0.358 0.000 1.409 67 F CB 0.004 38.381 39.000 -1.038 0.000 1.064 67 F HN -0.208 nan 8.300 nan 0.000 0.528 68 F N -0.084 120.020 119.950 0.256 0.000 2.443 68 F HA 0.521 5.048 4.527 -0.000 0.000 0.335 68 F C 0.286 176.162 175.800 0.127 0.000 1.104 68 F CA -1.259 56.825 58.000 0.140 0.000 1.013 68 F CB 1.108 40.167 39.000 0.098 0.000 1.136 68 F HN -0.341 nan 8.300 nan 0.000 0.470 69 A N 4.559 127.542 122.820 0.271 0.000 2.798 69 A HA 0.609 4.929 4.320 0.000 0.000 0.316 69 A C -0.088 177.614 177.584 0.197 0.000 1.506 69 A CA -0.429 51.729 52.037 0.201 0.000 1.162 69 A CB -0.410 18.689 19.000 0.164 0.000 1.138 69 A HN 0.881 nan 8.150 nan 0.000 0.532 70 R N 1.055 121.683 120.500 0.214 0.000 2.643 70 R HA 0.779 5.119 4.340 0.000 0.000 0.269 70 R C -1.232 175.215 176.300 0.246 0.000 1.037 70 R CA -0.694 55.512 56.100 0.177 0.000 0.894 70 R CB 1.143 31.504 30.300 0.102 0.000 1.238 70 R HN 0.701 nan 8.270 nan 0.000 0.459 71 F N -0.667 119.348 119.950 0.107 0.000 2.643 71 F HA 0.700 5.227 4.527 0.000 0.000 0.314 71 F C -1.442 174.455 175.800 0.162 0.000 1.096 71 F CA -1.204 56.851 58.000 0.093 0.000 0.953 71 F CB 2.277 41.310 39.000 0.055 0.000 1.345 71 F HN 0.383 nan 8.300 nan 0.000 0.468 72 K N 2.542 123.182 120.400 0.401 0.000 2.507 72 K HA 0.595 4.915 4.320 0.000 0.000 0.251 72 K C -1.953 174.856 176.600 0.348 0.000 0.943 72 K CA -0.653 55.768 56.287 0.224 0.000 0.794 72 K CB 2.610 35.203 32.500 0.155 0.000 1.188 72 K HN 0.772 nan 8.250 nan 0.000 0.428 73 L N 3.042 124.455 121.223 0.317 0.000 2.386 73 L HA 0.560 4.900 4.340 0.000 0.000 0.271 73 L C -1.135 175.884 176.870 0.249 0.000 0.993 73 L CA -0.843 54.208 54.840 0.352 0.000 0.819 73 L CB 1.897 44.206 42.059 0.416 0.000 1.294 73 L HN 0.598 nan 8.230 nan 0.000 0.414 74 R N 5.307 125.962 120.500 0.259 0.000 2.476 74 R HA 0.700 5.040 4.340 0.000 0.000 0.305 74 R C -1.753 174.730 176.300 0.305 0.000 0.965 74 R CA -0.422 55.839 56.100 0.267 0.000 0.867 74 R CB 1.236 31.754 30.300 0.363 0.000 1.176 74 R HN 0.589 nan 8.270 nan 0.000 0.447 75 I N 2.643 123.343 120.570 0.216 0.000 2.498 75 I HA 0.394 4.564 4.170 0.000 0.000 0.290 75 I C -0.679 175.527 176.117 0.148 0.000 1.032 75 I CA -0.953 60.447 61.300 0.168 0.000 1.073 75 I CB 2.139 40.178 38.000 0.065 0.000 1.251 75 I HN 0.555 nan 8.210 nan 0.000 0.426 76 Q N 4.245 124.161 119.800 0.193 0.000 2.337 76 Q HA 0.708 5.048 4.340 0.000 0.000 0.266 76 Q C -1.210 174.833 176.000 0.071 0.000 1.023 76 Q CA -0.543 55.329 55.803 0.115 0.000 0.829 76 Q CB 2.474 31.298 28.738 0.143 0.000 1.306 76 Q HN 0.855 nan 8.270 nan 0.000 0.449 77 T N -0.899 113.670 114.554 0.025 0.000 2.900 77 T HA 0.436 4.786 4.350 0.000 0.000 0.303 77 T C -0.263 174.473 174.700 0.060 0.000 1.142 77 T CA -0.873 61.234 62.100 0.012 0.000 1.007 77 T CB 1.331 70.107 68.868 -0.154 0.000 1.156 77 T HN 0.583 nan 8.240 nan 0.000 0.490 78 T N 1.289 115.915 114.554 0.119 0.000 2.934 78 T HA 0.088 4.438 4.350 0.000 0.000 0.321 78 T C 0.312 175.090 174.700 0.130 0.000 1.080 78 T CA -0.466 61.709 62.100 0.125 0.000 1.132 78 T CB 0.267 69.215 68.868 0.134 0.000 1.039 78 T HN 0.801 nan 8.240 nan 0.000 0.543 79 E N 0.658 120.909 120.200 0.085 0.000 2.360 79 E HA 0.313 4.663 4.350 0.000 0.000 0.269 79 E C 1.186 177.837 176.600 0.084 0.000 1.022 79 E CA 0.752 57.192 56.400 0.068 0.000 0.887 79 E CB 0.180 29.907 29.700 0.044 0.000 0.990 79 E HN 1.009 nan 8.360 nan 0.000 0.426 80 G N 3.973 112.827 108.800 0.089 0.000 2.231 80 G HA2 -0.273 3.687 3.960 0.000 0.000 0.206 80 G HA3 -0.273 3.687 3.960 0.000 0.000 0.206 80 G C -0.360 174.632 174.900 0.153 0.000 0.996 80 G CA 0.126 45.280 45.100 0.090 0.000 0.645 80 G HN 0.606 nan 8.290 nan 0.000 0.498 81 Y N 1.851 122.161 120.300 0.017 0.000 2.338 81 Y HA 0.521 5.071 4.550 0.000 0.000 0.328 81 Y C -0.629 175.284 175.900 0.021 0.000 0.965 81 Y CA -1.218 56.893 58.100 0.019 0.000 1.208 81 Y CB 1.343 39.817 38.460 0.022 0.000 1.132 81 Y HN 0.094 nan 8.280 nan 0.000 0.469 82 D N 8.926 129.399 120.400 0.122 0.000 2.417 82 D HA 0.041 4.681 4.640 0.000 0.000 0.250 82 D C -1.569 174.602 176.300 -0.216 0.000 1.166 82 D CA -2.019 51.962 54.000 -0.031 0.000 0.881 82 D CB 1.739 42.549 40.800 0.017 0.000 1.164 82 D HN 0.352 nan 8.370 nan 0.000 0.467 83 P HA -0.214 nan 4.420 nan 0.000 0.214 83 P C 1.022 178.247 177.300 -0.125 0.000 1.163 83 P CA 1.328 64.309 63.100 -0.198 0.000 0.889 83 P CB 0.258 31.902 31.700 -0.093 0.000 0.790 84 K N -0.496 119.864 120.400 -0.066 0.000 2.189 84 K HA -0.196 4.124 4.320 0.000 0.000 0.207 84 K C 1.744 178.331 176.600 -0.022 0.000 1.046 84 K CA 1.545 57.809 56.287 -0.037 0.000 0.928 84 K CB -0.546 31.939 32.500 -0.024 0.000 0.720 84 K HN 0.194 nan 8.250 nan 0.000 0.458 85 D N -0.036 120.347 120.400 -0.029 0.000 2.277 85 D HA -0.032 4.608 4.640 0.000 0.000 0.208 85 D C 1.575 177.902 176.300 0.045 0.000 0.962 85 D CA 0.686 54.722 54.000 0.059 0.000 0.865 85 D CB 0.189 41.109 40.800 0.200 0.000 0.939 85 D HN 0.213 nan 8.370 nan 0.000 0.510 86 A N 0.243 122.990 122.820 -0.122 0.000 2.123 86 A HA -0.007 4.313 4.320 0.000 0.000 0.214 86 A C 1.944 179.536 177.584 0.014 0.000 1.152 86 A CA 0.285 52.272 52.037 -0.084 0.000 0.728 86 A CB -0.082 18.748 19.000 -0.283 0.000 0.814 86 A HN 0.191 nan 8.150 nan 0.000 0.464 87 L N -0.404 120.827 121.223 0.013 0.000 2.270 87 L HA 0.089 4.429 4.340 0.000 0.000 0.210 87 L C 1.937 178.842 176.870 0.058 0.000 1.104 87 L CA 1.725 56.594 54.840 0.049 0.000 0.804 87 L CB -0.328 41.763 42.059 0.054 0.000 0.937 87 L HN 0.305 nan 8.230 nan 0.000 0.450 88 K N -0.764 119.667 120.400 0.051 0.000 2.076 88 K HA -0.009 4.311 4.320 0.000 0.000 0.204 88 K C 1.721 178.360 176.600 0.064 0.000 1.051 88 K CA 1.096 57.416 56.287 0.054 0.000 0.949 88 K CB -0.336 32.192 32.500 0.048 0.000 0.726 88 K HN 0.239 nan 8.250 nan 0.000 0.443 89 N N 1.315 120.066 118.700 0.084 0.000 2.205 89 N HA -0.141 4.599 4.740 0.000 0.000 0.186 89 N C 1.649 177.200 175.510 0.069 0.000 1.015 89 N CA 1.509 54.612 53.050 0.090 0.000 0.862 89 N CB -0.185 38.382 38.487 0.134 0.000 0.986 89 N HN 0.264 nan 8.380 nan 0.000 0.429 90 A N -0.164 122.695 122.820 0.066 0.000 1.956 90 A HA 0.035 4.355 4.320 0.000 0.000 0.212 90 A C 2.561 180.173 177.584 0.047 0.000 1.188 90 A CA 0.331 52.399 52.037 0.051 0.000 0.675 90 A CB -0.798 18.231 19.000 0.048 0.000 0.845 90 A HN 0.346 nan 8.150 nan 0.000 0.455 91 C N 0.070 119.404 119.300 0.057 0.000 2.385 91 C HA -0.182 4.278 4.460 0.000 0.000 0.275 91 C C 2.700 177.714 174.990 0.040 0.000 1.207 91 C CA 1.475 60.526 59.018 0.054 0.000 1.760 91 C CB -1.426 26.353 27.740 0.066 0.000 2.051 91 C HN 0.646 nan 8.230 nan 0.000 0.467 92 N N 1.179 119.903 118.700 0.041 0.000 2.021 92 N HA -0.137 4.604 4.740 0.000 0.000 0.198 92 N C 1.813 177.341 175.510 0.029 0.000 1.041 92 N CA 2.185 55.256 53.050 0.035 0.000 0.862 92 N CB -0.735 37.774 38.487 0.036 0.000 1.048 92 N HN 0.556 nan 8.380 nan 0.000 0.427 93 S N 0.661 116.378 115.700 0.030 0.000 2.440 93 S HA -0.069 4.401 4.470 0.000 0.000 0.238 93 S C 1.916 176.527 174.600 0.018 0.000 1.010 93 S CA 0.532 58.746 58.200 0.023 0.000 0.972 93 S CB -0.026 63.187 63.200 0.022 0.000 0.774 93 S HN 0.232 nan 8.310 nan 0.000 0.501 94 I N 1.608 122.188 120.570 0.018 0.000 2.206 94 I HA -0.027 4.143 4.170 0.000 0.000 0.239 94 I C 2.183 178.305 176.117 0.009 0.000 1.078 94 I CA 0.867 62.173 61.300 0.009 0.000 1.367 94 I CB -0.993 37.011 38.000 0.006 0.000 1.078 94 I HN 0.242 nan 8.210 nan 0.000 0.413 95 I N 1.544 122.123 120.570 0.015 0.000 2.423 95 I HA -0.281 3.889 4.170 0.000 0.000 0.254 95 I C 2.072 178.198 176.117 0.014 0.000 1.151 95 I CA 1.237 62.546 61.300 0.015 0.000 1.421 95 I CB -1.231 36.781 38.000 0.020 0.000 1.079 95 I HN 0.324 nan 8.210 nan 0.000 0.431 96 N N 1.389 120.099 118.700 0.016 0.000 2.173 96 N HA -0.126 4.614 4.740 0.000 0.000 0.184 96 N C 1.599 177.118 175.510 0.015 0.000 1.025 96 N CA 1.124 54.184 53.050 0.016 0.000 0.852 96 N CB -0.162 38.335 38.487 0.017 0.000 0.998 96 N HN 0.416 nan 8.380 nan 0.000 0.427 97 K N 0.209 120.616 120.400 0.012 0.000 2.426 97 K HA 0.216 4.536 4.320 0.000 0.000 0.193 97 K C 1.654 178.260 176.600 0.010 0.000 1.028 97 K CA 0.209 56.502 56.287 0.011 0.000 1.047 97 K CB 0.336 32.841 32.500 0.008 0.000 0.821 97 K HN 0.085 nan 8.250 nan 0.000 0.513 98 L N 0.002 121.230 121.223 0.008 0.000 2.189 98 L HA 0.101 4.441 4.340 0.000 0.000 0.199 98 L C 2.373 179.253 176.870 0.016 0.000 1.074 98 L CA 0.877 55.721 54.840 0.006 0.000 0.783 98 L CB -1.099 40.959 42.059 -0.003 0.000 0.955 98 L HN 0.318 nan 8.230 nan 0.000 0.460 99 G N 0.938 109.748 108.800 0.017 0.000 2.946 99 G HA2 -0.478 3.482 3.960 0.000 0.000 0.290 99 G HA3 -0.478 3.482 3.960 0.000 0.000 0.290 99 G C 1.567 176.486 174.900 0.031 0.000 1.077 99 G CA 2.093 47.206 45.100 0.022 0.000 0.808 99 G HN 0.513 nan 8.290 nan 0.000 0.792 100 A N 0.368 123.205 122.820 0.028 0.000 1.862 100 A HA -0.123 4.197 4.320 0.000 0.000 0.217 100 A C 2.476 180.090 177.584 0.049 0.000 1.251 100 A CA 2.651 54.708 52.037 0.035 0.000 0.673 100 A CB -0.949 18.068 19.000 0.029 0.000 0.843 100 A HN 0.917 nan 8.150 nan 0.000 0.458 101 L N 0.602 121.854 121.223 0.047 0.000 2.103 101 L HA -0.243 4.097 4.340 0.000 0.000 0.215 101 L C 2.303 179.241 176.870 0.114 0.000 1.080 101 L CA 2.989 57.870 54.840 0.068 0.000 0.764 101 L CB -0.934 41.145 42.059 0.033 0.000 0.890 101 L HN 0.739 nan 8.230 nan 0.000 0.435 102 K N -1.382 119.072 120.400 0.090 0.000 2.211 102 K HA -0.132 4.188 4.320 0.000 0.000 0.203 102 K C 1.688 178.381 176.600 0.155 0.000 1.050 102 K CA 1.590 57.952 56.287 0.125 0.000 0.945 102 K CB 0.057 32.595 32.500 0.063 0.000 0.732 102 K HN 0.318 nan 8.250 nan 0.000 0.451 103 T N 1.432 116.047 114.554 0.102 0.000 2.671 103 T HA -0.052 4.298 4.350 0.000 0.000 0.250 103 T C 1.339 176.088 174.700 0.082 0.000 1.068 103 T CA 1.419 63.564 62.100 0.074 0.000 1.177 103 T CB -0.423 68.475 68.868 0.049 0.000 0.876 103 T HN 0.338 nan 8.240 nan 0.000 0.405 104 N N 0.920 119.672 118.700 0.086 0.000 2.314 104 N HA -0.107 4.633 4.740 0.000 0.000 0.191 104 N C 1.221 176.799 175.510 0.113 0.000 1.007 104 N CA 0.871 53.974 53.050 0.088 0.000 0.883 104 N CB -0.387 38.156 38.487 0.093 0.000 0.969 104 N HN 0.328 nan 8.380 nan 0.000 0.441 105 F N 1.194 121.168 119.950 0.040 0.000 2.104 105 F HA 0.109 4.636 4.527 0.000 0.000 0.288 105 F C 2.157 178.020 175.800 0.105 0.000 1.107 105 F CA 0.878 58.910 58.000 0.053 0.000 1.208 105 F CB -0.564 38.436 39.000 -0.000 0.000 1.033 105 F HN -0.058 nan 8.300 nan 0.000 0.478 106 E N -0.626 119.557 120.200 -0.029 0.000 2.284 106 E HA -0.224 4.126 4.350 0.000 0.000 0.200 106 E C 1.905 178.483 176.600 -0.038 0.000 1.008 106 E CA 1.734 58.111 56.400 -0.038 0.000 0.829 106 E CB -0.078 29.656 29.700 0.057 0.000 0.744 106 E HN 0.413 nan 8.360 nan 0.000 0.491 107 T N -0.002 114.523 114.554 -0.048 0.000 2.852 107 T HA -0.046 4.304 4.350 0.000 0.000 0.256 107 T C 1.418 176.083 174.700 -0.058 0.000 1.038 107 T CA 0.530 62.610 62.100 -0.033 0.000 1.141 107 T CB 0.007 68.870 68.868 -0.009 0.000 0.869 107 T HN 0.136 nan 8.240 nan 0.000 0.439 108 E N 0.183 120.332 120.200 -0.085 0.000 2.333 108 E HA -0.112 4.238 4.350 0.000 0.000 0.198 108 E C 1.745 178.291 176.600 -0.091 0.000 1.007 108 E CA 0.468 56.819 56.400 -0.081 0.000 0.845 108 E CB -0.039 29.643 29.700 -0.030 0.000 0.766 108 E HN 0.656 nan 8.360 nan 0.000 0.507 109 W N 1.457 122.514 121.300 -0.405 0.000 2.523 109 W HA -0.029 4.631 4.660 0.000 0.000 0.278 109 W C 1.287 177.691 176.519 -0.192 0.000 1.236 109 W CA 0.494 57.619 57.345 -0.366 0.000 1.306 109 W CB 0.207 29.293 29.460 -0.623 0.000 1.101 109 W HN 0.044 nan 8.180 nan 0.000 0.577 110 N N 1.090 119.655 118.700 -0.225 0.000 2.251 110 N HA -0.073 4.667 4.740 0.000 0.000 0.181 110 N C 1.629 177.003 175.510 -0.226 0.000 1.019 110 N CA 0.902 53.803 53.050 -0.247 0.000 0.862 110 N CB -0.830 37.585 38.487 -0.119 0.000 0.992 110 N HN 0.163 nan 8.380 nan 0.000 0.429 111 L N 1.107 122.238 121.223 -0.154 0.000 3.125 111 L HA -0.093 4.247 4.340 0.000 0.000 0.262 111 L C 0.121 176.898 176.870 -0.156 0.000 1.168 111 L CA 0.753 55.516 54.840 -0.128 0.000 0.872 111 L CB -0.955 41.054 42.059 -0.083 0.000 1.136 111 L HN 0.133 nan 8.230 nan 0.000 0.455 112 Q N 0.227 119.880 119.800 -0.246 0.000 2.347 112 Q HA 0.411 4.751 4.340 0.000 0.000 0.271 112 Q C -0.542 175.286 176.000 -0.287 0.000 1.064 112 Q CA -0.414 55.215 55.803 -0.291 0.000 0.800 112 Q CB 2.267 30.739 28.738 -0.443 0.000 1.304 112 Q HN 0.158 nan 8.270 nan 0.000 0.438 113 T N 1.202 115.633 114.554 -0.205 0.000 2.829 113 T HA 0.887 5.237 4.350 0.000 0.000 0.280 113 T C -0.340 174.270 174.700 -0.150 0.000 0.999 113 T CA -0.765 61.226 62.100 -0.181 0.000 0.983 113 T CB 0.878 69.671 68.868 -0.124 0.000 0.968 113 T HN 0.715 nan 8.240 nan 0.000 0.446 114 L N 0.000 121.133 121.223 -0.150 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.788 54.840 -0.087 0.000 0.813 114 L CB 0.000 42.037 42.059 -0.037 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502