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 3gto_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 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 2 N N 1.566 120.244 118.700 -0.036 0.000 2.392 2 N HA 0.211 4.951 4.740 0.000 0.000 0.177 2 N C 0.655 176.122 175.510 -0.072 0.000 1.066 2 N CA 0.571 53.595 53.050 -0.043 0.000 0.895 2 N CB 0.606 39.073 38.487 -0.034 0.000 0.988 2 N HN 0.403 nan 8.380 nan 0.000 0.457 3 A N 3.091 125.861 122.820 -0.084 0.000 2.603 3 A HA 0.026 4.346 4.320 0.000 0.000 0.235 3 A C -1.961 175.548 177.584 -0.126 0.000 1.035 3 A CA -0.151 51.816 52.037 -0.117 0.000 0.755 3 A CB -0.280 18.662 19.000 -0.096 0.000 0.954 3 A HN 0.114 nan 8.150 nan 0.000 0.511 4 P HA 0.379 nan 4.420 nan 0.000 0.300 4 P C -1.105 176.050 177.300 -0.241 0.000 1.375 4 P CA -0.596 62.397 63.100 -0.179 0.000 0.864 4 P CB 0.774 32.371 31.700 -0.171 0.000 0.958 5 D N 2.738 122.954 120.400 -0.306 0.000 2.749 5 D HA -0.133 4.507 4.640 0.000 0.000 0.222 5 D C 1.725 177.726 176.300 -0.499 0.000 1.131 5 D CA 0.454 54.194 54.000 -0.433 0.000 0.845 5 D CB 0.668 41.031 40.800 -0.729 0.000 1.196 5 D HN 0.154 nan 8.370 nan 0.000 0.503 6 R N 2.086 122.412 120.500 -0.290 0.000 2.103 6 R HA -0.186 4.154 4.340 0.000 0.000 0.234 6 R C 2.260 178.425 176.300 -0.225 0.000 1.132 6 R CA 1.489 57.504 56.100 -0.142 0.000 0.925 6 R CB -1.228 29.099 30.300 0.044 0.000 0.842 6 R HN 0.759 nan 8.270 nan 0.000 0.430 7 F N 1.751 121.635 119.950 -0.111 0.000 2.380 7 F HA -0.109 4.416 4.527 -0.003 0.000 0.299 7 F C 1.009 176.462 175.800 -0.578 0.000 1.064 7 F CA 0.784 58.465 58.000 -0.533 0.000 1.432 7 F CB -0.985 37.735 39.000 -0.468 0.000 1.089 7 F HN 0.076 nan 8.300 nan 0.000 0.562 8 E N 0.825 120.683 120.200 -0.571 0.000 2.461 8 E HA 0.003 4.353 4.350 0.000 0.000 0.196 8 E C 1.810 178.346 176.600 -0.107 0.000 1.129 8 E CA -0.025 56.207 56.400 -0.280 0.000 0.902 8 E CB -0.187 29.318 29.700 -0.324 0.000 0.963 8 E HN 0.573 nan 8.360 nan 0.000 0.503 9 L N -0.678 120.492 121.223 -0.088 0.000 2.316 9 L HA 0.058 4.398 4.340 0.000 0.000 0.207 9 L C 1.620 178.638 176.870 0.247 0.000 1.070 9 L CA 0.908 55.829 54.840 0.135 0.000 0.820 9 L CB 0.033 42.274 42.059 0.302 0.000 0.992 9 L HN 0.300 nan 8.230 nan 0.000 0.466 10 F N -3.236 116.781 119.950 0.113 0.000 2.834 10 F HA 0.357 4.885 4.527 0.002 0.000 0.332 10 F C 0.270 176.137 175.800 0.112 0.000 1.056 10 F CA -0.735 57.327 58.000 0.103 0.000 1.178 10 F CB 0.021 39.071 39.000 0.083 0.000 1.037 10 F HN -0.273 nan 8.300 nan 0.000 0.580 11 L N 2.609 123.690 121.223 -0.236 0.000 2.312 11 L HA 0.423 4.763 4.340 0.000 0.000 0.281 11 L C -0.238 176.635 176.870 0.005 0.000 1.070 11 L CA -0.754 54.030 54.840 -0.092 0.000 0.805 11 L CB 1.087 43.054 42.059 -0.153 0.000 1.174 11 L HN 0.059 nan 8.230 nan 0.000 0.434 12 L N 2.171 123.408 121.223 0.023 0.000 2.417 12 L HA 0.425 4.765 4.340 0.000 0.000 0.268 12 L C 1.143 178.028 176.870 0.026 0.000 1.158 12 L CA 0.587 55.444 54.840 0.029 0.000 0.819 12 L CB 0.734 42.806 42.059 0.022 0.000 1.112 12 L HN 0.751 nan 8.230 nan 0.000 0.458 13 G N 1.465 110.282 108.800 0.027 0.000 2.679 13 G HA2 0.192 4.152 3.960 0.000 0.000 0.202 13 G HA3 0.192 4.152 3.960 0.000 0.000 0.202 13 G C -0.460 174.446 174.900 0.010 0.000 1.566 13 G CA -0.317 44.799 45.100 0.027 0.000 1.074 13 G HN 0.590 nan 8.290 nan 0.000 0.564 14 E N -1.222 118.980 120.200 0.003 0.000 2.191 14 E HA 0.459 4.809 4.350 0.000 0.000 0.274 14 E C 0.654 177.248 176.600 -0.010 0.000 0.948 14 E CA 0.101 56.498 56.400 -0.004 0.000 0.802 14 E CB 1.450 31.147 29.700 -0.004 0.000 1.137 14 E HN 0.814 nan 8.360 nan 0.000 0.397 15 G N 2.369 111.162 108.800 -0.012 0.000 2.186 15 G HA2 -0.342 3.618 3.960 0.000 0.000 0.266 15 G HA3 -0.342 3.618 3.960 0.000 0.000 0.266 15 G C 0.008 174.898 174.900 -0.017 0.000 0.982 15 G CA 0.721 45.812 45.100 -0.015 0.000 0.670 15 G HN 0.509 nan 8.290 nan 0.000 0.533 16 E N -0.030 120.161 120.200 -0.015 0.000 2.248 16 E HA 0.657 5.007 4.350 0.000 0.000 0.272 16 E C -0.186 176.404 176.600 -0.016 0.000 1.008 16 E CA -0.321 56.069 56.400 -0.016 0.000 0.856 16 E CB 1.329 31.024 29.700 -0.010 0.000 1.120 16 E HN 0.160 nan 8.360 nan 0.000 0.397 17 S N 1.402 117.087 115.700 -0.024 0.000 2.566 17 S HA 0.193 4.663 4.470 0.000 0.000 0.298 17 S C 0.564 175.139 174.600 -0.043 0.000 1.083 17 S CA -0.862 57.318 58.200 -0.034 0.000 0.978 17 S CB 1.632 64.804 63.200 -0.046 0.000 1.073 17 S HN 0.399 nan 8.310 nan 0.000 0.491 18 K N 0.784 121.155 120.400 -0.048 0.000 2.209 18 K HA 0.091 4.411 4.320 0.000 0.000 0.204 18 K C -0.049 176.452 176.600 -0.166 0.000 1.048 18 K CA 1.080 57.331 56.287 -0.059 0.000 0.940 18 K CB -0.213 32.263 32.500 -0.040 0.000 0.729 18 K HN 0.531 nan 8.250 nan 0.000 0.451 19 L N 0.407 121.515 121.223 -0.192 0.000 2.409 19 L HA 0.409 4.749 4.340 0.000 0.000 0.262 19 L C -0.493 176.279 176.870 -0.162 0.000 0.992 19 L CA -0.880 53.793 54.840 -0.279 0.000 0.817 19 L CB 2.293 44.115 42.059 -0.395 0.000 1.350 19 L HN -0.256 nan 8.230 nan 0.000 0.411 20 K N 2.565 122.878 120.400 -0.144 0.000 2.397 20 K HA 0.611 4.931 4.320 0.000 0.000 0.253 20 K C -1.809 174.741 176.600 -0.085 0.000 0.932 20 K CA -0.559 55.674 56.287 -0.090 0.000 0.795 20 K CB 2.645 35.112 32.500 -0.056 0.000 1.159 20 K HN 0.619 nan 8.250 nan 0.000 0.424 21 I N 3.510 124.042 120.570 -0.063 0.000 2.378 21 I HA 0.308 4.478 4.170 0.000 0.000 0.291 21 I C -1.169 174.937 176.117 -0.018 0.000 0.992 21 I CA -0.299 60.977 61.300 -0.040 0.000 1.154 21 I CB 1.190 39.167 38.000 -0.040 0.000 1.315 21 I HN 0.640 nan 8.210 nan 0.000 0.448 22 D N 8.405 128.802 120.400 -0.005 0.000 2.732 22 D HA 0.419 5.059 4.640 0.000 0.000 0.229 22 D C -2.708 173.597 176.300 0.008 0.000 1.152 22 D CA -1.043 52.957 54.000 0.000 0.000 0.854 22 D CB 2.864 43.663 40.800 -0.000 0.000 1.590 22 D HN 0.195 nan 8.370 nan 0.000 0.468 23 P HA 0.138 nan 4.420 nan 0.000 0.293 23 P C -0.346 176.956 177.300 0.004 0.000 1.313 23 P CA -0.406 62.698 63.100 0.007 0.000 0.787 23 P CB 1.057 32.760 31.700 0.005 0.000 0.910 24 D N 2.468 122.871 120.400 0.005 0.000 2.455 24 D HA -0.014 4.626 4.640 0.000 0.000 0.241 24 D C 0.977 177.269 176.300 -0.014 0.000 1.138 24 D CA 0.556 54.552 54.000 -0.006 0.000 0.877 24 D CB 1.057 41.848 40.800 -0.015 0.000 1.187 24 D HN 0.335 nan 8.370 nan 0.000 0.451 25 T N 1.343 115.887 114.554 -0.016 0.000 3.035 25 T HA -0.019 4.331 4.350 0.000 0.000 0.259 25 T C 1.601 176.286 174.700 -0.025 0.000 1.078 25 T CA 0.125 62.215 62.100 -0.017 0.000 1.132 25 T CB 0.331 69.192 68.868 -0.013 0.000 0.900 25 T HN 0.256 nan 8.240 nan 0.000 0.480 26 K N 2.562 122.941 120.400 -0.036 0.000 1.973 26 K HA 0.243 4.563 4.320 0.000 0.000 0.212 26 K C 1.548 178.117 176.600 -0.052 0.000 1.047 26 K CA 1.270 57.529 56.287 -0.048 0.000 0.937 26 K CB -0.902 31.557 32.500 -0.068 0.000 0.721 26 K HN 0.546 nan 8.250 nan 0.000 0.440 27 A N 2.349 125.130 122.820 -0.064 0.000 2.247 27 A HA 0.509 4.829 4.320 0.000 0.000 0.313 27 A C -2.295 175.267 177.584 -0.036 0.000 1.109 27 A CA -1.170 50.831 52.037 -0.061 0.000 0.890 27 A CB -0.019 18.925 19.000 -0.093 0.000 1.239 27 A HN 0.081 nan 8.150 nan 0.000 0.506 28 P HA 0.306 nan 4.420 nan 0.000 0.283 28 P C -0.408 176.888 177.300 -0.007 0.000 1.271 28 P CA -0.646 62.446 63.100 -0.012 0.000 0.841 28 P CB 0.562 32.258 31.700 -0.006 0.000 1.122 29 N N -1.193 117.509 118.700 0.005 0.000 2.727 29 N HA -0.186 4.554 4.740 0.000 0.000 0.249 29 N C -1.131 174.386 175.510 0.013 0.000 1.048 29 N CA 1.079 54.137 53.050 0.014 0.000 0.714 29 N CB -1.249 37.249 38.487 0.019 0.000 0.959 29 N HN 0.697 nan 8.380 nan 0.000 0.544 30 A N -0.754 122.072 122.820 0.010 0.000 2.475 30 A HA 0.821 5.141 4.320 0.000 0.000 0.301 30 A C -0.647 176.951 177.584 0.023 0.000 1.059 30 A CA -0.378 51.668 52.037 0.015 0.000 0.710 30 A CB 2.540 21.528 19.000 -0.019 0.000 1.288 30 A HN 0.137 nan 8.150 nan 0.000 0.408 31 V N 0.670 120.612 119.914 0.047 0.000 3.120 31 V HA 0.631 4.751 4.120 0.000 0.000 0.303 31 V C -1.212 174.926 176.094 0.074 0.000 1.238 31 V CA -0.485 61.845 62.300 0.049 0.000 1.008 31 V CB 2.245 34.096 31.823 0.045 0.000 1.064 31 V HN 1.293 nan 8.190 nan 0.000 0.434 32 V N 6.096 126.047 119.914 0.062 0.000 2.357 32 V HA 0.579 4.699 4.120 0.000 0.000 0.281 32 V C -0.532 175.598 176.094 0.060 0.000 1.015 32 V CA -0.247 62.100 62.300 0.078 0.000 0.827 32 V CB 1.087 32.952 31.823 0.071 0.000 1.018 32 V HN 0.674 nan 8.190 nan 0.000 0.432 33 I N 5.697 126.318 120.570 0.084 0.000 2.352 33 I HA 0.340 4.510 4.170 0.000 0.000 0.290 33 I C 0.906 177.074 176.117 0.086 0.000 1.036 33 I CA 0.112 61.441 61.300 0.048 0.000 1.336 33 I CB 1.169 39.193 38.000 0.039 0.000 1.407 33 I HN 0.403 nan 8.210 nan 0.000 0.497 34 T N 5.701 120.254 114.554 -0.001 0.000 2.899 34 T HA 0.336 4.686 4.350 0.000 0.000 0.295 34 T C -0.456 174.191 174.700 -0.087 0.000 1.033 34 T CA 0.397 62.498 62.100 0.002 0.000 1.084 34 T CB 0.342 69.203 68.868 -0.012 0.000 0.979 34 T HN 0.249 nan 8.240 nan 0.000 0.532 35 F N 2.027 121.824 119.950 -0.254 0.000 2.824 35 F HA 0.263 4.790 4.527 -0.000 0.000 0.375 35 F C 0.595 176.385 175.800 -0.016 0.000 1.190 35 F CA -0.907 56.969 58.000 -0.208 0.000 1.180 35 F CB 0.887 39.532 39.000 -0.590 0.000 1.477 35 F HN 0.444 nan 8.300 nan 0.000 0.542 36 E N 2.945 123.208 120.200 0.106 0.000 2.425 36 E HA 0.058 4.408 4.350 0.000 0.000 0.258 36 E C 0.218 176.932 176.600 0.189 0.000 1.151 36 E CA -0.091 56.386 56.400 0.128 0.000 0.958 36 E CB 0.440 30.175 29.700 0.059 0.000 0.968 36 E HN 0.263 nan 8.360 nan 0.000 0.451 37 K N 1.707 122.214 120.400 0.179 0.000 3.834 37 K HA -0.216 4.104 4.320 0.000 0.000 0.276 37 K C -0.080 176.668 176.600 0.248 0.000 0.850 37 K CA 1.075 57.479 56.287 0.195 0.000 0.704 37 K CB -1.137 31.457 32.500 0.157 0.000 1.644 37 K HN 0.435 nan 8.250 nan 0.000 0.440 38 E N 0.154 120.535 120.200 0.302 0.000 2.408 38 E HA 0.502 4.852 4.350 0.000 0.000 0.266 38 E C -0.170 176.549 176.600 0.198 0.000 1.025 38 E CA -0.402 56.181 56.400 0.306 0.000 0.881 38 E CB 1.596 31.623 29.700 0.545 0.000 1.660 38 E HN 0.339 nan 8.360 nan 0.000 0.458 39 D N -1.866 118.473 120.400 -0.102 0.000 3.213 39 D HA 0.096 4.736 4.640 0.000 0.000 0.357 39 D C 0.766 176.695 176.300 -0.619 0.000 1.446 39 D CA -0.298 53.501 54.000 -0.335 0.000 0.893 39 D CB -0.259 40.389 40.800 -0.253 0.000 1.466 39 D HN 0.309 nan 8.370 nan 0.000 0.541 40 H N -0.084 118.797 119.070 -0.315 0.000 2.319 40 H HA -0.034 4.522 4.556 0.001 0.000 0.299 40 H C 1.581 176.677 175.328 -0.387 0.000 1.092 40 H CA 2.298 58.144 56.048 -0.337 0.000 1.302 40 H CB -1.039 28.684 29.762 -0.066 0.000 1.373 40 H HN 0.487 nan 8.280 nan 0.000 0.497 41 T N 1.104 115.574 114.554 -0.140 0.000 2.792 41 T HA -0.166 4.184 4.350 0.000 0.000 0.268 41 T C 2.078 176.655 174.700 -0.206 0.000 1.059 41 T CA 1.561 63.578 62.100 -0.138 0.000 1.136 41 T CB -0.231 68.578 68.868 -0.099 0.000 0.846 41 T HN 0.125 nan 8.240 nan 0.000 0.489 42 L N -0.488 120.530 121.223 -0.341 0.000 2.526 42 L HA 0.462 4.802 4.340 0.000 0.000 0.210 42 L C 2.454 178.992 176.870 -0.553 0.000 1.048 42 L CA 1.042 55.678 54.840 -0.339 0.000 0.852 42 L CB -0.681 41.266 42.059 -0.188 0.000 1.128 42 L HN 0.187 nan 8.230 nan 0.000 0.482 43 G N -0.299 107.803 108.800 -1.165 0.000 2.414 43 G HA2 -0.342 3.618 3.960 0.000 0.000 0.215 43 G HA3 -0.342 3.618 3.960 0.000 0.000 0.215 43 G C 1.357 175.609 174.900 -1.080 0.000 1.188 43 G CA 0.863 45.150 45.100 -1.354 0.000 0.783 43 G HN 0.450 nan 8.290 nan 0.000 0.537 44 N N -0.145 117.876 118.700 -1.132 0.000 2.258 44 N HA -0.113 4.627 4.740 0.000 0.000 0.187 44 N C 1.908 177.264 175.510 -0.257 0.000 1.012 44 N CA 0.974 53.726 53.050 -0.496 0.000 0.870 44 N CB -0.193 38.160 38.487 -0.223 0.000 0.977 44 N HN 0.268 nan 8.380 nan 0.000 0.434 45 L N 0.355 121.423 121.223 -0.258 0.000 2.056 45 L HA 0.206 4.546 4.340 0.000 0.000 0.202 45 L C 2.006 178.810 176.870 -0.109 0.000 1.086 45 L CA 1.106 55.860 54.840 -0.144 0.000 0.758 45 L CB -1.147 40.842 42.059 -0.116 0.000 0.912 45 L HN 0.186 nan 8.230 nan 0.000 0.446 46 I N -0.145 120.360 120.570 -0.109 0.000 2.181 46 I HA -0.502 3.668 4.170 0.000 0.000 0.240 46 I C 2.759 178.848 176.117 -0.047 0.000 1.006 46 I CA 2.198 63.468 61.300 -0.051 0.000 1.284 46 I CB -0.511 37.466 38.000 -0.038 0.000 0.990 46 I HN 0.389 nan 8.210 nan 0.000 0.408 47 R N 0.866 121.317 120.500 -0.082 0.000 2.109 47 R HA -0.220 4.120 4.340 0.000 0.000 0.227 47 R C 2.431 178.708 176.300 -0.039 0.000 1.132 47 R CA 1.994 58.071 56.100 -0.038 0.000 0.907 47 R CB -0.550 29.761 30.300 0.019 0.000 0.825 47 R HN 0.386 nan 8.270 nan 0.000 0.432 48 A N 1.222 124.017 122.820 -0.041 0.000 1.971 48 A HA -0.232 4.088 4.320 0.000 0.000 0.222 48 A C 2.005 179.572 177.584 -0.028 0.000 1.182 48 A CA 2.020 54.036 52.037 -0.034 0.000 0.649 48 A CB -0.540 18.439 19.000 -0.034 0.000 0.818 48 A HN 0.564 nan 8.150 nan 0.000 0.458 49 E N -0.679 119.505 120.200 -0.026 0.000 2.076 49 E HA -0.036 4.314 4.350 0.000 0.000 0.190 49 E C 1.832 178.429 176.600 -0.006 0.000 0.979 49 E CA 0.451 56.844 56.400 -0.012 0.000 0.807 49 E CB -0.351 29.345 29.700 -0.007 0.000 0.761 49 E HN 0.652 nan 8.360 nan 0.000 0.454 50 L N 1.029 122.246 121.223 -0.010 0.000 2.651 50 L HA -0.145 4.195 4.340 0.000 0.000 0.236 50 L C 1.385 178.238 176.870 -0.029 0.000 1.173 50 L CA 0.156 54.989 54.840 -0.011 0.000 0.843 50 L CB 0.111 42.163 42.059 -0.011 0.000 0.964 50 L HN 0.045 nan 8.230 nan 0.000 0.454 51 L N -1.335 119.871 121.223 -0.027 0.000 2.731 51 L HA 0.120 4.460 4.340 0.000 0.000 0.240 51 L C 1.727 178.588 176.870 -0.015 0.000 1.120 51 L CA 0.602 55.423 54.840 -0.032 0.000 0.913 51 L CB -0.203 41.831 42.059 -0.042 0.000 1.213 51 L HN 0.157 nan 8.230 nan 0.000 0.515 52 N N -0.647 118.050 118.700 -0.005 0.000 2.416 52 N HA -0.070 4.670 4.740 0.000 0.000 0.177 52 N C 0.511 176.031 175.510 0.016 0.000 1.036 52 N CA 0.348 53.401 53.050 0.005 0.000 0.901 52 N CB -0.003 38.489 38.487 0.008 0.000 0.976 52 N HN 0.250 nan 8.380 nan 0.000 0.444 53 D N 1.205 121.616 120.400 0.019 0.000 2.358 53 D HA 0.042 4.682 4.640 0.000 0.000 0.258 53 D C 0.627 176.941 176.300 0.023 0.000 1.223 53 D CA -0.006 54.016 54.000 0.037 0.000 0.886 53 D CB 0.708 41.532 40.800 0.040 0.000 1.120 53 D HN 0.069 nan 8.370 nan 0.000 0.482 54 R N 2.626 123.151 120.500 0.042 0.000 2.307 54 R HA 0.030 4.370 4.340 0.000 0.000 0.199 54 R C 1.148 177.470 176.300 0.035 0.000 1.000 54 R CA 0.423 56.543 56.100 0.034 0.000 1.023 54 R CB 0.468 30.792 30.300 0.039 0.000 0.908 54 R HN 0.263 nan 8.270 nan 0.000 0.473 55 K N 0.528 120.954 120.400 0.044 0.000 2.387 55 K HA 0.142 4.462 4.320 0.000 0.000 0.198 55 K C -0.093 176.435 176.600 -0.120 0.000 1.022 55 K CA 0.208 56.512 56.287 0.028 0.000 1.128 55 K CB 0.882 33.512 32.500 0.216 0.000 0.853 55 K HN -0.045 nan 8.250 nan 0.000 0.523 56 V N 2.065 121.916 119.914 -0.105 0.000 2.398 56 V HA 0.207 4.327 4.120 0.000 0.000 0.286 56 V C 1.491 177.568 176.094 -0.028 0.000 1.026 56 V CA -0.486 61.746 62.300 -0.113 0.000 0.868 56 V CB 1.524 33.278 31.823 -0.116 0.000 0.982 56 V HN 0.033 nan 8.190 nan 0.000 0.443 57 L N 3.456 124.686 121.223 0.011 0.000 2.127 57 L HA 0.289 4.629 4.340 0.000 0.000 0.203 57 L C 0.434 177.390 176.870 0.144 0.000 1.080 57 L CA 1.454 56.335 54.840 0.068 0.000 0.768 57 L CB 0.056 42.160 42.059 0.075 0.000 0.924 57 L HN 0.574 nan 8.230 nan 0.000 0.444 58 F N -0.035 119.899 119.950 -0.027 0.000 2.591 58 F HA 0.690 5.217 4.527 -0.000 0.000 0.309 58 F C -1.274 174.524 175.800 -0.004 0.000 1.098 58 F CA -0.863 57.130 58.000 -0.011 0.000 0.937 58 F CB 1.690 40.685 39.000 -0.007 0.000 1.250 58 F HN -0.251 nan 8.300 nan 0.000 0.447 59 A N 4.234 126.536 122.820 -0.863 0.000 2.513 59 A HA 0.849 5.169 4.320 0.000 0.000 0.285 59 A C -1.842 175.395 177.584 -0.579 0.000 1.047 59 A CA 0.120 51.846 52.037 -0.518 0.000 0.864 59 A CB 0.558 19.436 19.000 -0.203 0.000 1.373 59 A HN 1.703 nan 8.150 nan 0.000 0.403 60 A N 1.610 124.190 122.820 -0.400 0.000 2.539 60 A HA 0.952 5.272 4.320 0.000 0.000 0.296 60 A C -1.107 176.547 177.584 0.117 0.000 1.073 60 A CA -0.483 51.459 52.037 -0.158 0.000 0.700 60 A CB 1.186 20.067 19.000 -0.200 0.000 1.296 60 A HN 2.069 nan 8.150 nan 0.000 0.405 61 Y N 0.115 120.426 120.300 0.017 0.000 2.581 61 Y HA 0.821 5.371 4.550 -0.000 0.000 0.345 61 Y C -0.828 175.151 175.900 0.132 0.000 1.036 61 Y CA -0.953 57.218 58.100 0.118 0.000 1.042 61 Y CB 1.915 40.502 38.460 0.212 0.000 1.289 61 Y HN 0.798 nan 8.280 nan 0.000 0.471 62 K N 2.162 122.627 120.400 0.108 0.000 2.587 62 K HA 0.490 4.810 4.320 0.000 0.000 0.256 62 K C -1.765 174.964 176.600 0.214 0.000 0.974 62 K CA -0.857 55.419 56.287 -0.018 0.000 0.855 62 K CB 1.896 34.386 32.500 -0.017 0.000 1.292 62 K HN 0.907 nan 8.250 nan 0.000 0.444 63 V N 0.833 120.889 119.914 0.236 0.000 2.364 63 V HA 0.104 4.224 4.120 0.000 0.000 0.252 63 V C 1.245 177.439 176.094 0.166 0.000 1.075 63 V CA -0.027 62.428 62.300 0.258 0.000 1.033 63 V CB 0.340 32.307 31.823 0.240 0.000 1.116 63 V HN 1.037 nan 8.190 nan 0.000 0.488 64 E N 2.383 122.695 120.200 0.186 0.000 2.097 64 E HA -0.179 4.171 4.350 0.000 0.000 0.196 64 E C 0.479 177.185 176.600 0.177 0.000 1.000 64 E CA 1.931 58.428 56.400 0.162 0.000 0.804 64 E CB 0.075 29.884 29.700 0.182 0.000 0.740 64 E HN 0.970 nan 8.360 nan 0.000 0.454 65 H N -2.314 116.828 119.070 0.122 0.000 3.128 65 H HA 0.113 4.669 4.556 0.001 0.000 0.336 65 H C -2.245 173.108 175.328 0.042 0.000 1.026 65 H CA -1.558 54.515 56.048 0.041 0.000 1.376 65 H CB 1.863 31.644 29.762 0.032 0.000 1.882 65 H HN -0.158 nan 8.280 nan 0.000 0.479 66 P HA -0.098 nan 4.420 nan 0.000 0.239 66 P C 0.868 178.352 177.300 0.307 0.000 1.184 66 P CA 0.887 64.073 63.100 0.142 0.000 0.760 66 P CB -0.012 31.710 31.700 0.035 0.000 0.884 67 F N -0.739 119.276 119.950 0.110 0.000 2.187 67 F HA 0.020 4.548 4.527 0.002 0.000 0.295 67 F C 1.264 176.758 175.800 -0.509 0.000 1.091 67 F CA 0.213 57.974 58.000 -0.398 0.000 1.308 67 F CB -0.016 38.327 39.000 -1.096 0.000 1.030 67 F HN -0.216 nan 8.300 nan 0.000 0.487 68 F N -0.719 119.401 119.950 0.284 0.000 2.470 68 F HA 0.514 5.040 4.527 -0.001 0.000 0.329 68 F C 0.389 176.273 175.800 0.140 0.000 1.072 68 F CA -1.326 56.761 58.000 0.145 0.000 0.989 68 F CB 0.979 40.048 39.000 0.113 0.000 1.193 68 F HN -0.363 nan 8.300 nan 0.000 0.481 69 A N 3.404 126.401 122.820 0.295 0.000 3.078 69 A HA 0.391 4.711 4.320 0.000 0.000 0.279 69 A C 0.331 178.066 177.584 0.251 0.000 1.594 69 A CA -0.608 51.562 52.037 0.221 0.000 1.301 69 A CB -0.731 18.373 19.000 0.174 0.000 1.162 69 A HN 0.873 nan 8.150 nan 0.000 0.585 70 R N -0.170 120.501 120.500 0.285 0.000 3.139 70 R HA 0.911 5.251 4.340 0.000 0.000 0.218 70 R C -0.582 175.970 176.300 0.421 0.000 1.637 70 R CA -0.500 55.775 56.100 0.291 0.000 0.971 70 R CB 0.551 30.985 30.300 0.222 0.000 2.211 70 R HN 0.940 nan 8.270 nan 0.000 0.535 71 F N -1.500 118.564 119.950 0.190 0.000 2.581 71 F HA 0.267 4.794 4.527 -0.001 0.000 0.277 71 F C -2.272 173.654 175.800 0.211 0.000 0.869 71 F CA -0.908 57.208 58.000 0.193 0.000 1.021 71 F CB 0.471 39.564 39.000 0.156 0.000 1.341 71 F HN 0.420 nan 8.300 nan 0.000 0.677 72 K N 5.274 125.741 120.400 0.110 0.000 2.265 72 K HA 0.715 5.035 4.320 0.000 0.000 0.267 72 K C -1.438 175.217 176.600 0.091 0.000 0.994 72 K CA -1.052 55.253 56.287 0.030 0.000 0.860 72 K CB 2.173 34.729 32.500 0.093 0.000 1.099 72 K HN 0.711 nan 8.250 nan 0.000 0.448 73 L N 3.466 124.706 121.223 0.029 0.000 2.313 73 L HA 0.415 4.755 4.340 0.000 0.000 0.283 73 L C -0.767 176.194 176.870 0.151 0.000 1.013 73 L CA -0.351 54.561 54.840 0.119 0.000 0.816 73 L CB 1.004 43.098 42.059 0.059 0.000 1.236 73 L HN 0.505 nan 8.230 nan 0.000 0.419 74 R N 6.430 127.041 120.500 0.185 0.000 2.393 74 R HA 0.654 4.994 4.340 0.000 0.000 0.315 74 R C -1.540 174.934 176.300 0.291 0.000 0.952 74 R CA -0.575 55.665 56.100 0.233 0.000 0.842 74 R CB 0.994 31.466 30.300 0.287 0.000 1.163 74 R HN 0.739 nan 8.270 nan 0.000 0.450 75 I N 1.855 122.559 120.570 0.223 0.000 2.545 75 I HA 0.426 4.596 4.170 0.000 0.000 0.292 75 I C -0.761 175.460 176.117 0.174 0.000 1.040 75 I CA -1.051 60.368 61.300 0.197 0.000 1.068 75 I CB 2.119 40.171 38.000 0.087 0.000 1.251 75 I HN 0.515 nan 8.210 nan 0.000 0.424 76 Q N 4.400 124.319 119.800 0.198 0.000 2.356 76 Q HA 0.717 5.057 4.340 0.000 0.000 0.270 76 Q C -1.333 174.686 176.000 0.032 0.000 1.058 76 Q CA -0.432 55.431 55.803 0.101 0.000 0.802 76 Q CB 2.497 31.294 28.738 0.098 0.000 1.303 76 Q HN 0.883 nan 8.270 nan 0.000 0.444 77 T N -0.069 114.471 114.554 -0.023 0.000 2.864 77 T HA 0.490 4.840 4.350 0.000 0.000 0.289 77 T C -0.007 174.673 174.700 -0.033 0.000 1.082 77 T CA -0.751 61.291 62.100 -0.096 0.000 1.009 77 T CB 1.318 70.042 68.868 -0.240 0.000 1.234 77 T HN 0.536 nan 8.240 nan 0.000 0.526 78 T N 1.354 115.892 114.554 -0.027 0.000 2.791 78 T HA 0.143 4.493 4.350 0.000 0.000 0.323 78 T C 0.476 175.216 174.700 0.067 0.000 1.082 78 T CA -0.253 61.871 62.100 0.040 0.000 1.084 78 T CB 0.038 68.956 68.868 0.083 0.000 0.992 78 T HN 0.706 nan 8.240 nan 0.000 0.547 79 E N 0.226 120.462 120.200 0.061 0.000 2.608 79 E HA 0.221 4.571 4.350 0.000 0.000 0.259 79 E C 1.238 177.891 176.600 0.088 0.000 0.951 79 E CA 1.335 57.772 56.400 0.061 0.000 0.945 79 E CB -0.297 29.430 29.700 0.046 0.000 0.916 79 E HN 0.841 nan 8.360 nan 0.000 0.477 80 G N 3.896 112.746 108.800 0.083 0.000 3.675 80 G HA2 -0.389 3.572 3.960 0.000 0.000 0.275 80 G HA3 -0.389 3.572 3.960 0.000 0.000 0.275 80 G C -0.109 174.882 174.900 0.152 0.000 1.648 80 G CA -0.012 45.144 45.100 0.094 0.000 1.093 80 G HN 0.769 nan 8.290 nan 0.000 0.617 81 Y N 3.583 123.894 120.300 0.018 0.000 2.340 81 Y HA -0.002 4.548 4.550 -0.000 0.000 0.431 81 Y C 0.898 176.812 175.900 0.025 0.000 1.181 81 Y CA 0.528 58.641 58.100 0.021 0.000 1.667 81 Y CB -0.324 38.150 38.460 0.024 0.000 1.163 81 Y HN 0.652 nan 8.280 nan 0.000 0.423 82 D N 8.790 129.380 120.400 0.317 0.000 2.425 82 D HA 0.023 4.663 4.640 0.000 0.000 0.247 82 D C -1.345 175.093 176.300 0.230 0.000 1.147 82 D CA -1.575 52.547 54.000 0.203 0.000 0.879 82 D CB 1.156 42.029 40.800 0.122 0.000 1.179 82 D HN 0.218 nan 8.370 nan 0.000 0.456 83 P HA -0.281 nan 4.420 nan 0.000 0.219 83 P C 0.905 178.262 177.300 0.094 0.000 1.158 83 P CA 1.733 64.863 63.100 0.049 0.000 0.895 83 P CB 0.130 31.855 31.700 0.042 0.000 0.792 84 K N -0.436 120.024 120.400 0.099 0.000 2.034 84 K HA -0.209 4.111 4.320 0.000 0.000 0.214 84 K C 2.028 178.704 176.600 0.128 0.000 1.051 84 K CA 1.927 58.268 56.287 0.091 0.000 0.931 84 K CB -0.679 31.860 32.500 0.066 0.000 0.715 84 K HN 0.168 nan 8.250 nan 0.000 0.446 85 D N 0.261 120.773 120.400 0.186 0.000 2.106 85 D HA -0.208 4.432 4.640 0.000 0.000 0.191 85 D C 1.934 178.430 176.300 0.327 0.000 0.997 85 D CA 1.600 55.743 54.000 0.238 0.000 0.834 85 D CB -0.244 40.702 40.800 0.244 0.000 0.956 85 D HN 0.267 nan 8.370 nan 0.000 0.448 86 A N 1.292 124.353 122.820 0.401 0.000 1.869 86 A HA -0.232 4.088 4.320 0.000 0.000 0.218 86 A C 2.270 179.927 177.584 0.121 0.000 1.203 86 A CA 1.869 54.002 52.037 0.159 0.000 0.638 86 A CB -1.084 17.821 19.000 -0.159 0.000 0.831 86 A HN 0.305 nan 8.150 nan 0.000 0.450 87 L N -0.426 120.858 121.223 0.101 0.000 2.129 87 L HA -0.192 4.148 4.340 0.000 0.000 0.212 87 L C 2.172 179.106 176.870 0.106 0.000 1.087 87 L CA 2.407 57.310 54.840 0.104 0.000 0.757 87 L CB -0.482 41.646 42.059 0.115 0.000 0.896 87 L HN 0.396 nan 8.230 nan 0.000 0.434 88 K N -0.603 119.863 120.400 0.110 0.000 1.967 88 K HA -0.123 4.197 4.320 0.000 0.000 0.212 88 K C 2.012 178.664 176.600 0.088 0.000 1.044 88 K CA 1.419 57.760 56.287 0.090 0.000 0.942 88 K CB -0.366 32.182 32.500 0.080 0.000 0.726 88 K HN 0.378 nan 8.250 nan 0.000 0.440 89 N N 0.906 119.670 118.700 0.107 0.000 2.049 89 N HA -0.241 4.499 4.740 0.000 0.000 0.198 89 N C 1.806 177.363 175.510 0.078 0.000 1.030 89 N CA 1.759 54.865 53.050 0.094 0.000 0.870 89 N CB -0.328 38.236 38.487 0.129 0.000 1.045 89 N HN 0.238 nan 8.380 nan 0.000 0.434 90 A N 0.935 123.804 122.820 0.082 0.000 1.883 90 A HA -0.180 4.140 4.320 0.000 0.000 0.217 90 A C 2.817 180.432 177.584 0.053 0.000 1.186 90 A CA 1.524 53.596 52.037 0.059 0.000 0.624 90 A CB -1.168 17.863 19.000 0.051 0.000 0.822 90 A HN 0.490 nan 8.150 nan 0.000 0.444 91 C N -0.500 118.840 119.300 0.066 0.000 2.385 91 C HA -0.164 4.296 4.460 0.000 0.000 0.275 91 C C 2.780 177.798 174.990 0.048 0.000 1.207 91 C CA 1.362 60.419 59.018 0.064 0.000 1.760 91 C CB -1.587 26.199 27.740 0.077 0.000 2.051 91 C HN 0.660 nan 8.230 nan 0.000 0.467 92 N N 0.135 118.863 118.700 0.046 0.000 2.039 92 N HA -0.144 4.596 4.740 0.000 0.000 0.193 92 N C 1.972 177.500 175.510 0.030 0.000 1.044 92 N CA 1.701 54.772 53.050 0.036 0.000 0.847 92 N CB -0.590 37.918 38.487 0.035 0.000 1.030 92 N HN 0.512 nan 8.380 nan 0.000 0.422 93 S N 1.010 116.729 115.700 0.033 0.000 2.413 93 S HA -0.143 4.327 4.470 0.000 0.000 0.237 93 S C 1.976 176.588 174.600 0.020 0.000 1.044 93 S CA 0.988 59.205 58.200 0.027 0.000 1.024 93 S CB -0.296 62.923 63.200 0.032 0.000 0.829 93 S HN 0.271 nan 8.310 nan 0.000 0.475 94 I N 0.458 121.040 120.570 0.019 0.000 2.333 94 I HA -0.063 4.107 4.170 0.000 0.000 0.246 94 I C 2.150 178.273 176.117 0.010 0.000 1.106 94 I CA 0.931 62.238 61.300 0.011 0.000 1.411 94 I CB -0.351 37.654 38.000 0.008 0.000 1.082 94 I HN 0.292 nan 8.210 nan 0.000 0.420 95 I N 1.269 121.848 120.570 0.015 0.000 2.208 95 I HA -0.305 3.865 4.170 0.000 0.000 0.245 95 I C 2.210 178.334 176.117 0.012 0.000 1.097 95 I CA 1.351 62.659 61.300 0.013 0.000 1.363 95 I CB -0.646 37.365 38.000 0.018 0.000 1.051 95 I HN 0.308 nan 8.210 nan 0.000 0.413 96 N N 1.278 119.987 118.700 0.015 0.000 2.084 96 N HA -0.170 4.570 4.740 0.000 0.000 0.190 96 N C 1.780 177.298 175.510 0.014 0.000 1.030 96 N CA 1.319 54.379 53.050 0.015 0.000 0.849 96 N CB -0.345 38.152 38.487 0.017 0.000 1.012 96 N HN 0.432 nan 8.380 nan 0.000 0.423 97 K N 0.918 121.325 120.400 0.012 0.000 2.063 97 K HA -0.016 4.304 4.320 0.000 0.000 0.208 97 K C 2.239 178.844 176.600 0.008 0.000 1.048 97 K CA 0.727 57.020 56.287 0.011 0.000 0.928 97 K CB -0.187 32.317 32.500 0.007 0.000 0.713 97 K HN 0.121 nan 8.250 nan 0.000 0.442 98 L N 0.025 121.250 121.223 0.003 0.000 2.017 98 L HA -0.140 4.200 4.340 0.000 0.000 0.208 98 L C 2.581 179.452 176.870 0.003 0.000 1.073 98 L CA 1.444 56.281 54.840 -0.004 0.000 0.745 98 L CB -0.960 41.093 42.059 -0.011 0.000 0.894 98 L HN 0.378 nan 8.230 nan 0.000 0.432 99 G N -0.345 108.460 108.800 0.009 0.000 2.469 99 G HA2 -0.324 3.636 3.960 0.000 0.000 0.219 99 G HA3 -0.324 3.636 3.960 0.000 0.000 0.219 99 G C 1.735 176.651 174.900 0.026 0.000 1.150 99 G CA 1.010 46.119 45.100 0.016 0.000 0.763 99 G HN 0.498 nan 8.290 nan 0.000 0.561 100 A N 0.494 123.330 122.820 0.026 0.000 1.858 100 A HA 0.056 4.376 4.320 0.000 0.000 0.216 100 A C 2.417 180.029 177.584 0.048 0.000 1.190 100 A CA 1.498 53.555 52.037 0.034 0.000 0.617 100 A CB -0.610 18.408 19.000 0.029 0.000 0.827 100 A HN 0.389 nan 8.150 nan 0.000 0.443 101 L N -0.467 120.781 121.223 0.041 0.000 1.990 101 L HA -0.301 4.039 4.340 0.000 0.000 0.213 101 L C 2.611 179.532 176.870 0.086 0.000 1.072 101 L CA 2.565 57.438 54.840 0.056 0.000 0.755 101 L CB -0.374 41.698 42.059 0.020 0.000 0.889 101 L HN 0.571 nan 8.230 nan 0.000 0.432 102 K N -0.845 119.585 120.400 0.051 0.000 2.000 102 K HA -0.244 4.076 4.320 0.000 0.000 0.218 102 K C 1.806 178.485 176.600 0.131 0.000 1.053 102 K CA 2.742 59.068 56.287 0.065 0.000 0.946 102 K CB -0.349 32.168 32.500 0.029 0.000 0.723 102 K HN 0.365 nan 8.250 nan 0.000 0.446 103 T N 1.196 115.807 114.554 0.095 0.000 2.746 103 T HA -0.111 4.239 4.350 0.000 0.000 0.267 103 T C 1.681 176.446 174.700 0.110 0.000 1.039 103 T CA 1.388 63.545 62.100 0.094 0.000 1.142 103 T CB -0.452 68.453 68.868 0.061 0.000 0.866 103 T HN 0.283 nan 8.240 nan 0.000 0.444 104 N N 0.692 119.457 118.700 0.108 0.000 2.104 104 N HA -0.065 4.675 4.740 0.000 0.000 0.190 104 N C 1.598 177.188 175.510 0.134 0.000 1.024 104 N CA 1.065 54.175 53.050 0.102 0.000 0.853 104 N CB -0.504 38.037 38.487 0.090 0.000 1.008 104 N HN 0.392 nan 8.380 nan 0.000 0.424 105 F N 2.627 122.603 119.950 0.044 0.000 2.102 105 F HA -0.120 4.408 4.527 0.000 0.000 0.298 105 F C 2.217 178.083 175.800 0.111 0.000 1.105 105 F CA 1.325 59.363 58.000 0.063 0.000 1.239 105 F CB -0.095 38.920 39.000 0.025 0.000 0.991 105 F HN -0.014 nan 8.300 nan 0.000 0.474 106 E N -0.195 120.161 120.200 0.259 0.000 2.209 106 E HA -0.189 4.161 4.350 0.000 0.000 0.196 106 E C 2.066 178.721 176.600 0.091 0.000 0.993 106 E CA 1.812 58.329 56.400 0.195 0.000 0.819 106 E CB -0.599 29.212 29.700 0.183 0.000 0.745 106 E HN 0.507 nan 8.360 nan 0.000 0.477 107 T N 1.229 115.810 114.554 0.044 0.000 2.732 107 T HA -0.090 4.260 4.350 0.000 0.000 0.261 107 T C 1.746 176.421 174.700 -0.041 0.000 1.040 107 T CA 0.678 62.783 62.100 0.008 0.000 1.145 107 T CB -0.073 68.803 68.868 0.013 0.000 0.866 107 T HN 0.055 nan 8.240 nan 0.000 0.427 108 E N 0.569 120.725 120.200 -0.074 0.000 2.017 108 E HA -0.145 4.205 4.350 0.000 0.000 0.193 108 E C 1.890 178.402 176.600 -0.148 0.000 0.997 108 E CA 0.919 57.252 56.400 -0.111 0.000 0.804 108 E CB -0.548 29.081 29.700 -0.118 0.000 0.757 108 E HN 0.636 nan 8.360 nan 0.000 0.448 109 W N 2.189 123.206 121.300 -0.473 0.000 2.276 109 W HA -0.304 4.356 4.660 0.001 0.000 0.307 109 W C 1.267 177.665 176.519 -0.202 0.000 1.240 109 W CA 1.618 58.707 57.345 -0.427 0.000 1.249 109 W CB -0.263 28.853 29.460 -0.573 0.000 1.140 109 W HN 0.086 nan 8.180 nan 0.000 0.519 110 N N 0.783 119.326 118.700 -0.260 0.000 2.381 110 N HA -0.110 4.630 4.740 0.000 0.000 0.182 110 N C 1.701 177.042 175.510 -0.282 0.000 1.025 110 N CA 1.462 54.331 53.050 -0.301 0.000 0.888 110 N CB -0.698 37.724 38.487 -0.108 0.000 0.965 110 N HN 0.346 nan 8.380 nan 0.000 0.438 111 L N -0.002 121.084 121.223 -0.227 0.000 2.558 111 L HA 0.069 4.409 4.340 0.000 0.000 0.225 111 L C 0.835 177.590 176.870 -0.193 0.000 1.128 111 L CA 0.421 55.159 54.840 -0.171 0.000 0.868 111 L CB -0.049 41.943 42.059 -0.112 0.000 1.006 111 L HN 0.055 nan 8.230 nan 0.000 0.454 112 Q N 0.507 120.137 119.800 -0.283 0.000 2.169 112 Q HA 0.415 4.755 4.340 0.000 0.000 0.234 112 Q C -0.318 175.516 176.000 -0.278 0.000 0.980 112 Q CA 0.002 55.653 55.803 -0.253 0.000 0.941 112 Q CB 1.823 30.413 28.738 -0.245 0.000 1.199 112 Q HN 0.015 nan 8.270 nan 0.000 0.496 113 T N 0.146 114.582 114.554 -0.197 0.000 2.879 113 T HA 0.734 5.084 4.350 0.000 0.000 0.290 113 T C -0.099 174.531 174.700 -0.117 0.000 0.993 113 T CA -0.627 61.378 62.100 -0.157 0.000 0.975 113 T CB 1.140 69.947 68.868 -0.103 0.000 0.981 113 T HN 0.585 nan 8.240 nan 0.000 0.439 114 L N 0.000 121.157 121.223 -0.109 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.811 54.840 -0.049 0.000 0.813 114 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502