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 1v9z_1_B DATA FIRST_RESID 20 DATA SEQUENCE GIFFPALEQN MMGAVLINEN DEVMFFNPAA EKLWGYKREE VIGNNIDMLI DATA SEQUENCE PRDLRPAHPE YIRHNREGGK ARVEGMSREL QLEKKDGSKI WTRFALSKVS DATA SEQUENCE AEGKVYYLAL VRD 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 20 G HA2 0.000 nan 3.960 nan 0.000 0.244 20 G HA3 0.000 3.887 3.960 -0.122 0.000 0.244 20 G C 0.000 174.938 174.900 0.064 0.000 0.946 20 G CA 0.000 45.161 45.100 0.102 0.000 0.502 21 I N -1.390 119.189 120.570 0.015 0.000 3.971 21 I HA 0.395 4.492 4.170 -0.122 0.000 0.303 21 I C 1.866 177.817 176.117 -0.277 0.000 1.233 21 I CA 0.175 61.358 61.300 -0.195 0.000 1.346 21 I CB 0.069 37.834 38.000 -0.393 0.000 1.273 21 I HN 0.395 nan 8.210 nan 0.000 0.448 22 F N -0.235 119.725 119.950 0.017 0.000 2.186 22 F HA -0.123 4.328 4.527 -0.125 0.000 0.299 22 F C 2.280 178.071 175.800 -0.015 0.000 1.090 22 F CA 1.529 59.526 58.000 -0.006 0.000 1.307 22 F CB -0.984 38.010 39.000 -0.012 0.000 1.019 22 F HN 0.127 nan 8.300 nan 0.000 0.489 23 F N 2.136 122.131 119.950 0.075 0.000 2.113 23 F HA -0.019 4.451 4.527 -0.094 0.000 0.297 23 F C -0.854 174.944 175.800 -0.003 0.000 1.103 23 F CA 0.838 58.824 58.000 -0.024 0.000 1.248 23 F CB -1.907 37.077 39.000 -0.028 0.000 0.999 23 F HN -0.142 nan 8.300 nan 0.000 0.475 24 P HA -0.138 nan 4.420 nan 0.000 0.218 24 P C 1.542 178.697 177.300 -0.241 0.000 1.148 24 P CA 2.272 65.200 63.100 -0.287 0.000 0.822 24 P CB -0.362 31.291 31.700 -0.080 0.000 0.784 25 A N -1.185 121.530 122.820 -0.175 0.000 2.019 25 A HA -0.129 4.118 4.320 -0.122 0.000 0.219 25 A C 2.075 179.601 177.584 -0.096 0.000 1.164 25 A CA 1.411 53.372 52.037 -0.126 0.000 0.644 25 A CB -1.365 17.565 19.000 -0.116 0.000 0.805 25 A HN 0.163 nan 8.150 nan 0.000 0.449 26 L N -1.899 119.251 121.223 -0.121 0.000 2.316 26 L HA 0.040 4.307 4.340 -0.122 0.000 0.207 26 L C 2.445 179.339 176.870 0.040 0.000 1.070 26 L CA 0.934 55.767 54.840 -0.012 0.000 0.820 26 L CB -0.238 41.825 42.059 0.007 0.000 0.992 26 L HN 0.387 nan 8.230 nan 0.000 0.466 27 E N 1.205 121.308 120.200 -0.161 0.000 2.058 27 E HA -0.253 4.024 4.350 -0.122 0.000 0.194 27 E C 1.683 178.217 176.600 -0.109 0.000 0.997 27 E CA 1.648 57.967 56.400 -0.136 0.000 0.801 27 E CB -0.004 29.282 29.700 -0.690 0.000 0.746 27 E HN 0.434 nan 8.360 nan 0.000 0.450 28 Q N 0.260 119.979 119.800 -0.136 0.000 2.222 28 Q HA 0.135 4.402 4.340 -0.122 0.000 0.206 28 Q C -0.180 175.780 176.000 -0.067 0.000 0.877 28 Q CA -0.409 55.342 55.803 -0.086 0.000 0.958 28 Q CB 0.085 28.774 28.738 -0.081 0.000 1.075 28 Q HN 0.166 nan 8.270 nan 0.000 0.483 29 N N 0.781 119.446 118.700 -0.059 0.000 2.518 29 N HA 0.018 4.685 4.740 -0.122 0.000 0.266 29 N C 0.861 176.341 175.510 -0.049 0.000 1.196 29 N CA 0.175 53.198 53.050 -0.045 0.000 0.947 29 N CB 0.827 39.300 38.487 -0.023 0.000 1.098 29 N HN 0.122 nan 8.380 nan 0.000 0.450 30 M N 1.825 121.399 119.600 -0.044 0.000 2.374 30 M HA 0.006 4.413 4.480 -0.122 0.000 0.264 30 M C 0.597 176.864 176.300 -0.056 0.000 1.067 30 M CA 1.130 56.402 55.300 -0.046 0.000 1.103 30 M CB -0.341 32.236 32.600 -0.038 0.000 1.402 30 M HN 0.497 nan 8.290 nan 0.000 0.444 31 M N -0.298 119.270 119.600 -0.054 0.000 2.277 31 M HA 0.357 4.764 4.480 -0.122 0.000 0.350 31 M C 0.804 177.054 176.300 -0.082 0.000 1.180 31 M CA -0.423 54.836 55.300 -0.069 0.000 1.103 31 M CB 1.196 33.763 32.600 -0.054 0.000 1.577 31 M HN 0.113 nan 8.290 nan 0.000 0.459 32 G N 1.607 110.341 108.800 -0.111 0.000 2.441 32 G HA2 0.493 4.380 3.960 -0.122 0.000 0.243 32 G HA3 0.493 4.380 3.960 -0.122 0.000 0.243 32 G C -0.873 173.978 174.900 -0.083 0.000 1.281 32 G CA -0.464 44.563 45.100 -0.122 0.000 0.854 32 G HN 0.833 nan 8.290 nan 0.000 0.560 33 A N 1.495 124.245 122.820 -0.115 0.000 2.343 33 A HA 0.700 4.947 4.320 -0.122 0.000 0.308 33 A C -0.790 176.776 177.584 -0.029 0.000 1.092 33 A CA -0.528 51.517 52.037 0.014 0.000 0.751 33 A CB 1.974 21.085 19.000 0.185 0.000 1.203 33 A HN 1.013 nan 8.150 nan 0.000 0.452 34 V N 3.192 123.181 119.914 0.126 0.000 2.525 34 V HA 0.475 4.522 4.120 -0.122 0.000 0.299 34 V C -0.940 175.313 176.094 0.264 0.000 1.034 34 V CA -0.374 62.026 62.300 0.165 0.000 0.863 34 V CB 1.376 33.286 31.823 0.146 0.000 0.999 34 V HN 0.838 nan 8.190 nan 0.000 0.423 35 L N 7.279 128.694 121.223 0.319 0.000 2.313 35 L HA 0.819 5.086 4.340 -0.122 0.000 0.283 35 L C -0.579 176.463 176.870 0.287 0.000 1.013 35 L CA -0.177 54.852 54.840 0.316 0.000 0.816 35 L CB 1.459 43.710 42.059 0.319 0.000 1.236 35 L HN 0.713 nan 8.230 nan 0.000 0.419 36 I N 2.146 122.898 120.570 0.303 0.000 2.493 36 I HA 0.687 4.784 4.170 -0.122 0.000 0.298 36 I C -0.136 176.165 176.117 0.308 0.000 0.998 36 I CA -0.461 60.996 61.300 0.260 0.000 1.137 36 I CB 1.500 39.634 38.000 0.224 0.000 1.310 36 I HN 0.697 nan 8.210 nan 0.000 0.445 37 N N 3.812 122.642 118.700 0.216 0.000 2.443 37 N HA 0.111 4.778 4.740 -0.122 0.000 0.294 37 N C 0.871 176.293 175.510 -0.146 0.000 1.289 37 N CA 0.140 53.212 53.050 0.037 0.000 0.966 37 N CB -0.086 38.443 38.487 0.070 0.000 1.122 37 N HN 0.752 nan 8.380 nan 0.000 0.569 38 E N -0.875 119.114 120.200 -0.352 0.000 2.333 38 E HA -0.205 4.072 4.350 -0.122 0.000 0.198 38 E C -0.240 176.316 176.600 -0.074 0.000 1.007 38 E CA 1.135 57.399 56.400 -0.228 0.000 0.845 38 E CB -0.564 28.978 29.700 -0.264 0.000 0.766 38 E HN 0.538 nan 8.360 nan 0.000 0.507 39 N N 1.387 120.061 118.700 -0.044 0.000 2.251 39 N HA 0.010 4.677 4.740 -0.122 0.000 0.217 39 N C -0.664 174.859 175.510 0.021 0.000 1.124 39 N CA 0.293 53.339 53.050 -0.007 0.000 0.843 39 N CB 0.365 38.846 38.487 -0.010 0.000 1.024 39 N HN 0.029 nan 8.380 nan 0.000 0.501 40 D N 0.724 121.154 120.400 0.049 0.000 2.837 40 D HA -0.172 4.395 4.640 -0.122 0.000 0.230 40 D C -0.352 175.978 176.300 0.050 0.000 1.152 40 D CA 1.036 55.081 54.000 0.076 0.000 0.736 40 D CB -1.319 39.522 40.800 0.069 0.000 1.084 40 D HN 0.497 nan 8.370 nan 0.000 0.429 41 E N -0.555 119.673 120.200 0.046 0.000 2.204 41 E HA 0.461 4.738 4.350 -0.122 0.000 0.276 41 E C 0.023 176.653 176.600 0.050 0.000 0.974 41 E CA -0.954 55.461 56.400 0.025 0.000 0.815 41 E CB 1.846 31.557 29.700 0.018 0.000 1.119 41 E HN -0.129 nan 8.360 nan 0.000 0.393 42 V N 4.553 124.471 119.914 0.006 0.000 2.439 42 V HA -0.006 4.041 4.120 -0.122 0.000 0.271 42 V C 0.805 176.945 176.094 0.076 0.000 1.040 42 V CA 0.617 62.934 62.300 0.028 0.000 1.002 42 V CB 0.428 32.197 31.823 -0.089 0.000 1.000 42 V HN 0.805 nan 8.190 nan 0.000 0.477 43 M N 4.391 124.089 119.600 0.163 0.000 2.516 43 M HA 0.313 4.720 4.480 -0.122 0.000 0.259 43 M C 0.157 176.638 176.300 0.302 0.000 1.146 43 M CA 1.006 56.425 55.300 0.197 0.000 1.122 43 M CB 0.545 33.276 32.600 0.218 0.000 1.341 43 M HN 0.574 nan 8.290 nan 0.000 0.478 44 F N -0.129 119.899 119.950 0.130 0.000 2.608 44 F HA 0.479 4.962 4.527 -0.072 0.000 0.309 44 F C -2.011 173.928 175.800 0.231 0.000 1.103 44 F CA -1.106 56.993 58.000 0.164 0.000 0.954 44 F CB 1.737 40.824 39.000 0.146 0.000 1.267 44 F HN -0.134 nan 8.300 nan 0.000 0.444 45 F N 7.466 127.017 119.950 -0.665 0.000 3.361 45 F HA 0.254 4.757 4.527 -0.040 0.000 0.390 45 F C -0.998 174.413 175.800 -0.648 0.000 1.251 45 F CA -0.791 56.883 58.000 -0.544 0.000 1.260 45 F CB 0.401 39.228 39.000 -0.288 0.000 1.847 45 F HN 0.574 nan 8.300 nan 0.000 0.673 46 N N 5.375 123.476 118.700 -0.997 0.000 2.354 46 N HA 0.303 4.970 4.740 -0.122 0.000 0.246 46 N C -2.335 172.937 175.510 -0.398 0.000 1.285 46 N CA -1.781 50.892 53.050 -0.629 0.000 0.925 46 N CB 0.335 38.552 38.487 -0.449 0.000 1.174 46 N HN 0.232 nan 8.380 nan 0.000 0.478 47 P HA -0.104 nan 4.420 nan 0.000 0.216 47 P C 1.019 178.240 177.300 -0.132 0.000 1.150 47 P CA 2.431 65.463 63.100 -0.113 0.000 0.837 47 P CB -0.112 31.555 31.700 -0.054 0.000 0.786 48 A N -0.061 122.665 122.820 -0.157 0.000 1.933 48 A HA -0.137 4.110 4.320 -0.122 0.000 0.218 48 A C 2.280 179.771 177.584 -0.156 0.000 1.175 48 A CA 2.090 54.048 52.037 -0.131 0.000 0.628 48 A CB -1.542 17.385 19.000 -0.121 0.000 0.814 48 A HN 0.214 nan 8.150 nan 0.000 0.444 49 A N -0.407 122.225 122.820 -0.313 0.000 1.968 49 A HA -0.065 4.182 4.320 -0.122 0.000 0.217 49 A C 1.859 179.309 177.584 -0.224 0.000 1.169 49 A CA 1.321 53.141 52.037 -0.362 0.000 0.638 49 A CB -0.390 17.987 19.000 -1.039 0.000 0.812 49 A HN 0.631 nan 8.150 nan 0.000 0.446 50 E N 0.224 120.290 120.200 -0.223 0.000 2.106 50 E HA -0.176 4.101 4.350 -0.122 0.000 0.192 50 E C 1.876 178.596 176.600 0.201 0.000 0.984 50 E CA 1.272 57.814 56.400 0.235 0.000 0.806 50 E CB -0.126 29.691 29.700 0.196 0.000 0.750 50 E HN 0.594 nan 8.360 nan 0.000 0.458 51 K N 0.569 121.013 120.400 0.073 0.000 2.103 51 K HA -0.061 4.186 4.320 -0.122 0.000 0.204 51 K C 2.285 178.909 176.600 0.041 0.000 1.052 51 K CA 0.685 56.999 56.287 0.044 0.000 0.945 51 K CB -0.090 32.408 32.500 -0.004 0.000 0.722 51 K HN 0.104 nan 8.250 nan 0.000 0.443 52 L N -0.201 121.042 121.223 0.033 0.000 1.994 52 L HA -0.172 4.095 4.340 -0.122 0.000 0.208 52 L C 2.509 179.356 176.870 -0.039 0.000 1.071 52 L CA 1.409 56.203 54.840 -0.076 0.000 0.745 52 L CB -0.370 41.553 42.059 -0.226 0.000 0.892 52 L HN 0.379 nan 8.230 nan 0.000 0.431 53 W N -0.657 120.707 121.300 0.105 0.000 2.523 53 W HA 0.063 4.628 4.660 -0.158 0.000 0.278 53 W C 1.572 178.090 176.519 -0.001 0.000 1.236 53 W CA 1.247 58.700 57.345 0.178 0.000 1.306 53 W CB -0.190 29.572 29.460 0.504 0.000 1.101 53 W HN 0.460 nan 8.180 nan 0.000 0.577 54 G N -0.960 107.972 108.800 0.220 0.000 2.159 54 G HA2 -0.289 3.598 3.960 -0.122 0.000 0.227 54 G HA3 -0.289 3.598 3.960 -0.122 0.000 0.227 54 G C -0.491 174.325 174.900 -0.140 0.000 0.986 54 G CA -0.284 44.800 45.100 -0.028 0.000 0.651 54 G HN 0.249 nan 8.290 nan 0.000 0.523 55 Y N 0.704 121.145 120.300 0.235 0.000 2.387 55 Y HA 0.642 5.112 4.550 -0.133 0.000 0.336 55 Y C 0.796 176.789 175.900 0.155 0.000 1.067 55 Y CA -0.989 57.175 58.100 0.106 0.000 1.114 55 Y CB 1.245 39.660 38.460 -0.076 0.000 1.208 55 Y HN -0.158 nan 8.280 nan 0.000 0.458 56 K N 1.900 122.434 120.400 0.223 0.000 2.098 56 K HA 0.210 4.457 4.320 -0.122 0.000 0.257 56 K C 1.110 177.782 176.600 0.119 0.000 0.999 56 K CA -0.570 55.822 56.287 0.175 0.000 0.924 56 K CB 1.021 33.582 32.500 0.102 0.000 1.028 56 K HN 0.706 nan 8.250 nan 0.000 0.466 57 R N 1.540 122.135 120.500 0.158 0.000 2.127 57 R HA -0.186 4.081 4.340 -0.122 0.000 0.238 57 R C 0.781 177.057 176.300 -0.041 0.000 1.134 57 R CA 1.752 57.907 56.100 0.090 0.000 0.975 57 R CB 0.203 30.598 30.300 0.157 0.000 0.865 57 R HN 0.496 nan 8.270 nan 0.000 0.447 58 E N 0.515 120.713 120.200 -0.004 0.000 2.204 58 E HA -0.151 4.126 4.350 -0.122 0.000 0.195 58 E C 1.389 177.949 176.600 -0.066 0.000 0.990 58 E CA 1.227 57.614 56.400 -0.022 0.000 0.821 58 E CB -0.043 29.660 29.700 0.006 0.000 0.750 58 E HN 0.523 nan 8.360 nan 0.000 0.477 59 E N -0.536 119.613 120.200 -0.086 0.000 2.489 59 E HA 0.020 4.297 4.350 -0.122 0.000 0.193 59 E C 1.051 177.470 176.600 -0.302 0.000 1.057 59 E CA 0.152 56.479 56.400 -0.122 0.000 0.866 59 E CB 0.574 30.277 29.700 0.005 0.000 0.916 59 E HN 0.080 nan 8.360 nan 0.000 0.500 60 V N 0.297 119.974 119.914 -0.396 0.000 2.996 60 V HA 0.029 4.076 4.120 -0.122 0.000 0.235 60 V C 0.829 176.714 176.094 -0.349 0.000 1.205 60 V CA -0.207 61.752 62.300 -0.569 0.000 1.225 60 V CB 0.325 31.475 31.823 -1.123 0.000 0.995 60 V HN 0.171 nan 8.190 nan 0.000 0.484 61 I N 2.486 122.916 120.570 -0.232 0.000 2.821 61 I HA 0.165 4.262 4.170 -0.122 0.000 0.294 61 I C 1.586 177.655 176.117 -0.080 0.000 1.210 61 I CA 1.957 63.197 61.300 -0.100 0.000 1.430 61 I CB -0.670 37.317 38.000 -0.022 0.000 1.356 61 I HN 0.608 nan 8.210 nan 0.000 0.563 62 G N 5.219 113.989 108.800 -0.051 0.000 2.217 62 G HA2 -0.236 3.651 3.960 -0.122 0.000 0.246 62 G HA3 -0.236 3.651 3.960 -0.122 0.000 0.246 62 G C 0.466 175.330 174.900 -0.060 0.000 0.990 62 G CA -0.217 44.860 45.100 -0.039 0.000 0.627 62 G HN 0.553 nan 8.290 nan 0.000 0.522 63 N N 0.322 118.959 118.700 -0.105 0.000 2.458 63 N HA 0.411 5.078 4.740 -0.122 0.000 0.271 63 N C 0.066 175.512 175.510 -0.107 0.000 1.210 63 N CA -0.511 52.468 53.050 -0.119 0.000 0.978 63 N CB 0.465 38.843 38.487 -0.182 0.000 1.206 63 N HN 0.380 nan 8.380 nan 0.000 0.536 64 N N 0.012 118.655 118.700 -0.095 0.000 2.482 64 N HA 0.067 4.734 4.740 -0.122 0.000 0.260 64 N C 1.294 176.746 175.510 -0.096 0.000 1.236 64 N CA -0.199 52.810 53.050 -0.067 0.000 0.938 64 N CB 0.703 39.163 38.487 -0.046 0.000 1.128 64 N HN 0.593 nan 8.380 nan 0.000 0.448 65 I N 1.248 121.787 120.570 -0.053 0.000 2.423 65 I HA -0.255 3.842 4.170 -0.122 0.000 0.254 65 I C 0.685 176.746 176.117 -0.093 0.000 1.151 65 I CA 1.407 62.670 61.300 -0.061 0.000 1.421 65 I CB -0.051 37.964 38.000 0.025 0.000 1.079 65 I HN 0.639 nan 8.210 nan 0.000 0.431 66 D N 1.127 121.489 120.400 -0.062 0.000 2.265 66 D HA -0.237 4.330 4.640 -0.122 0.000 0.208 66 D C 2.168 178.414 176.300 -0.090 0.000 0.977 66 D CA 1.833 55.796 54.000 -0.062 0.000 0.871 66 D CB -0.173 40.613 40.800 -0.024 0.000 0.925 66 D HN 0.628 nan 8.370 nan 0.000 0.485 67 M N -1.498 118.014 119.600 -0.147 0.000 2.476 67 M HA 0.008 4.415 4.480 -0.122 0.000 0.262 67 M C 1.521 177.696 176.300 -0.208 0.000 1.079 67 M CA 1.227 56.409 55.300 -0.197 0.000 1.104 67 M CB -0.068 32.338 32.600 -0.322 0.000 1.409 67 M HN -0.122 nan 8.290 nan 0.000 0.467 68 L N 0.504 121.613 121.223 -0.191 0.000 2.554 68 L HA 0.387 4.654 4.340 -0.122 0.000 0.225 68 L C 0.443 177.430 176.870 0.196 0.000 1.104 68 L CA -0.251 54.547 54.840 -0.071 0.000 0.866 68 L CB 0.103 41.977 42.059 -0.308 0.000 1.047 68 L HN 0.274 nan 8.230 nan 0.000 0.468 69 I N 1.076 121.651 120.570 0.008 0.000 2.371 69 I HA 0.212 4.309 4.170 -0.122 0.000 0.290 69 I C -2.035 174.085 176.117 0.005 0.000 1.028 69 I CA -2.066 59.197 61.300 -0.062 0.000 1.345 69 I CB 0.718 38.576 38.000 -0.236 0.000 1.407 69 I HN -0.265 nan 8.210 nan 0.000 0.501 70 P HA -0.008 nan 4.420 nan 0.000 0.264 70 P C 0.431 177.730 177.300 -0.002 0.000 1.179 70 P CA 0.135 63.236 63.100 0.001 0.000 0.763 70 P CB 0.468 32.137 31.700 -0.052 0.000 0.806 71 R N 2.481 122.987 120.500 0.010 0.000 2.096 71 R HA -0.197 4.070 4.340 -0.122 0.000 0.240 71 R C 1.366 177.669 176.300 0.005 0.000 1.139 71 R CA 2.200 58.306 56.100 0.010 0.000 0.952 71 R CB -0.754 29.554 30.300 0.014 0.000 0.854 71 R HN 0.657 nan 8.270 nan 0.000 0.436 72 D N -0.025 120.373 120.400 -0.002 0.000 2.371 72 D HA -0.110 4.457 4.640 -0.122 0.000 0.221 72 D C 1.458 177.762 176.300 0.006 0.000 0.986 72 D CA 0.740 54.741 54.000 0.001 0.000 0.899 72 D CB -0.106 40.691 40.800 -0.004 0.000 0.902 72 D HN 0.258 nan 8.370 nan 0.000 0.530 73 L N -0.817 120.407 121.223 0.003 0.000 2.664 73 L HA 0.293 4.560 4.340 -0.122 0.000 0.233 73 L C 2.187 179.089 176.870 0.054 0.000 1.113 73 L CA -0.263 54.588 54.840 0.019 0.000 0.896 73 L CB 0.239 42.293 42.059 -0.008 0.000 1.163 73 L HN -0.128 nan 8.230 nan 0.000 0.497 74 R N 0.672 121.192 120.500 0.034 0.000 2.127 74 R HA -0.155 4.112 4.340 -0.122 0.000 0.238 74 R C -0.569 175.774 176.300 0.072 0.000 1.134 74 R CA 1.364 57.493 56.100 0.047 0.000 0.975 74 R CB -1.119 29.195 30.300 0.022 0.000 0.865 74 R HN 0.322 nan 8.270 nan 0.000 0.447 75 P HA -0.058 nan 4.420 nan 0.000 0.219 75 P C 0.618 177.966 177.300 0.080 0.000 1.150 75 P CA 1.406 64.540 63.100 0.057 0.000 0.814 75 P CB 0.186 31.911 31.700 0.042 0.000 0.787 76 A N -1.913 120.974 122.820 0.112 0.000 2.063 76 A HA -0.075 4.172 4.320 -0.122 0.000 0.211 76 A C 2.172 179.903 177.584 0.245 0.000 1.177 76 A CA 0.465 52.600 52.037 0.163 0.000 0.759 76 A CB -1.458 17.649 19.000 0.179 0.000 0.857 76 A HN 0.141 nan 8.150 nan 0.000 0.468 77 H N 0.914 120.055 119.070 0.118 0.000 2.387 77 H HA -0.087 4.396 4.556 -0.121 0.000 0.299 77 H C -0.778 174.624 175.328 0.124 0.000 1.099 77 H CA 2.241 58.360 56.048 0.117 0.000 1.315 77 H CB -0.665 29.116 29.762 0.032 0.000 1.380 77 H HN 0.288 nan 8.280 nan 0.000 0.513 78 P HA -0.117 nan 4.420 nan 0.000 0.216 78 P C 1.450 178.753 177.300 0.004 0.000 1.150 78 P CA 1.445 64.586 63.100 0.068 0.000 0.837 78 P CB -0.014 31.727 31.700 0.068 0.000 0.786 79 E N -1.279 118.916 120.200 -0.009 0.000 2.150 79 E HA -0.177 4.101 4.350 -0.122 0.000 0.193 79 E C 1.617 178.112 176.600 -0.175 0.000 0.985 79 E CA 1.403 57.743 56.400 -0.100 0.000 0.814 79 E CB -0.977 28.623 29.700 -0.167 0.000 0.752 79 E HN 0.303 nan 8.360 nan 0.000 0.466 80 Y N -0.287 119.934 120.300 -0.132 0.000 2.263 80 Y HA -0.004 4.473 4.550 -0.121 0.000 0.292 80 Y C 2.097 177.906 175.900 -0.151 0.000 1.130 80 Y CA 1.187 59.200 58.100 -0.146 0.000 1.179 80 Y CB -0.021 38.285 38.460 -0.257 0.000 0.998 80 Y HN 0.051 nan 8.280 nan 0.000 0.532 81 I N -0.751 119.757 120.570 -0.104 0.000 2.286 81 I HA -0.243 3.854 4.170 -0.122 0.000 0.245 81 I C 2.597 178.705 176.117 -0.015 0.000 1.104 81 I CA 1.047 62.266 61.300 -0.134 0.000 1.397 81 I CB -0.332 37.582 38.000 -0.143 0.000 1.072 81 I HN 0.058 nan 8.210 nan 0.000 0.417 82 R N 0.238 120.739 120.500 0.002 0.000 2.083 82 R HA -0.246 4.021 4.340 -0.122 0.000 0.237 82 R C 2.588 178.911 176.300 0.039 0.000 1.137 82 R CA 1.755 57.871 56.100 0.025 0.000 0.951 82 R CB -0.512 29.795 30.300 0.012 0.000 0.851 82 R HN 0.470 nan 8.270 nan 0.000 0.434 83 H N 0.011 119.038 119.070 -0.072 0.000 2.387 83 H HA -0.153 4.330 4.556 -0.122 0.000 0.299 83 H C 1.828 177.147 175.328 -0.015 0.000 1.099 83 H CA 1.754 57.758 56.048 -0.073 0.000 1.315 83 H CB -0.059 29.610 29.762 -0.154 0.000 1.380 83 H HN 0.321 nan 8.280 nan 0.000 0.513 84 N N 0.797 119.464 118.700 -0.056 0.000 2.216 84 N HA -0.107 4.560 4.740 -0.122 0.000 0.183 84 N C 2.026 177.554 175.510 0.029 0.000 1.017 84 N CA 0.477 53.501 53.050 -0.043 0.000 0.861 84 N CB -0.011 38.522 38.487 0.076 0.000 0.986 84 N HN 0.416 nan 8.380 nan 0.000 0.428 85 R N 0.680 121.235 120.500 0.092 0.000 2.096 85 R HA -0.036 4.231 4.340 -0.122 0.000 0.235 85 R C 1.666 177.969 176.300 0.005 0.000 1.127 85 R CA 1.102 57.258 56.100 0.092 0.000 0.968 85 R CB -0.067 30.297 30.300 0.108 0.000 0.861 85 R HN 0.399 nan 8.270 nan 0.000 0.440 86 E N -0.500 119.683 120.200 -0.030 0.000 2.418 86 E HA -0.056 4.221 4.350 -0.122 0.000 0.197 86 E C 1.633 178.187 176.600 -0.077 0.000 1.026 86 E CA 0.638 57.010 56.400 -0.046 0.000 0.862 86 E CB 0.154 29.831 29.700 -0.037 0.000 0.799 86 E HN 0.429 nan 8.360 nan 0.000 0.518 87 G N 0.240 108.969 108.800 -0.119 0.000 2.920 87 G HA2 0.026 3.913 3.960 -0.122 0.000 0.208 87 G HA3 0.026 3.913 3.960 -0.122 0.000 0.208 87 G C 1.266 176.131 174.900 -0.059 0.000 1.159 87 G CA 0.185 45.212 45.100 -0.123 0.000 0.784 87 G HN 0.353 nan 8.290 nan 0.000 0.535 88 G N 0.070 108.847 108.800 -0.038 0.000 2.271 88 G HA2 -0.366 3.521 3.960 -0.122 0.000 0.283 88 G HA3 -0.366 3.521 3.960 -0.122 0.000 0.283 88 G C 0.782 175.672 174.900 -0.016 0.000 1.002 88 G CA 0.920 46.005 45.100 -0.025 0.000 0.701 88 G HN 0.490 nan 8.290 nan 0.000 0.528 89 K N 0.516 120.909 120.400 -0.012 0.000 2.298 89 K HA 0.607 4.854 4.320 -0.122 0.000 0.280 89 K C 1.491 178.099 176.600 0.015 0.000 1.032 89 K CA 0.194 56.483 56.287 0.002 0.000 0.958 89 K CB 0.907 33.410 32.500 0.006 0.000 0.978 89 K HN 0.239 nan 8.250 nan 0.000 0.472 90 A N 4.950 127.779 122.820 0.015 0.000 2.066 90 A HA -0.090 4.157 4.320 -0.122 0.000 0.218 90 A C 0.834 178.441 177.584 0.039 0.000 1.157 90 A CA 0.767 52.815 52.037 0.018 0.000 0.670 90 A CB -0.128 18.879 19.000 0.013 0.000 0.804 90 A HN 0.754 nan 8.150 nan 0.000 0.453 91 R N -1.424 119.104 120.500 0.048 0.000 2.553 91 R HA 0.650 4.917 4.340 -0.122 0.000 0.263 91 R C -1.425 174.931 176.300 0.094 0.000 1.066 91 R CA -0.510 55.630 56.100 0.066 0.000 1.135 91 R CB 1.061 31.394 30.300 0.055 0.000 1.148 91 R HN -0.068 nan 8.270 nan 0.000 0.558 92 V N 1.637 121.616 119.914 0.109 0.000 2.532 92 V HA 0.134 4.181 4.120 -0.122 0.000 0.294 92 V C 0.018 176.176 176.094 0.107 0.000 1.036 92 V CA -0.593 61.786 62.300 0.132 0.000 0.876 92 V CB 1.504 33.439 31.823 0.187 0.000 1.012 92 V HN 0.984 nan 8.190 nan 0.000 0.432 93 E N 2.867 123.123 120.200 0.093 0.000 2.415 93 E HA 0.173 4.450 4.350 -0.122 0.000 0.197 93 E C 1.288 177.933 176.600 0.075 0.000 1.007 93 E CA 0.340 56.788 56.400 0.080 0.000 0.890 93 E CB 0.672 30.415 29.700 0.071 0.000 0.891 93 E HN 0.773 nan 8.360 nan 0.000 0.496 94 G N 1.014 109.860 108.800 0.077 0.000 2.636 94 G HA2 0.147 4.034 3.960 -0.122 0.000 0.246 94 G HA3 0.147 4.034 3.960 -0.122 0.000 0.246 94 G C 0.533 175.457 174.900 0.040 0.000 1.216 94 G CA -0.303 44.826 45.100 0.047 0.000 0.854 94 G HN 0.155 nan 8.290 nan 0.000 0.572 95 M N -0.217 119.380 119.600 -0.006 0.000 2.751 95 M HA -0.247 4.160 4.480 -0.122 0.000 0.199 95 M C 1.643 177.983 176.300 0.066 0.000 0.550 95 M CA 0.873 56.165 55.300 -0.013 0.000 0.640 95 M CB -2.082 30.505 32.600 -0.022 0.000 2.351 95 M HN 0.692 nan 8.290 nan 0.000 0.613 96 S N -1.273 114.462 115.700 0.060 0.000 2.607 96 S HA 0.169 4.566 4.470 -0.122 0.000 0.224 96 S C 0.774 175.418 174.600 0.074 0.000 0.969 96 S CA 0.132 58.378 58.200 0.076 0.000 0.927 96 S CB 0.556 63.792 63.200 0.060 0.000 0.772 96 S HN 0.543 nan 8.310 nan 0.000 0.533 97 R N 1.070 121.610 120.500 0.067 0.000 2.930 97 R HA 0.371 4.638 4.340 -0.122 0.000 0.257 97 R C -0.975 175.392 176.300 0.112 0.000 1.107 97 R CA -0.741 55.403 56.100 0.072 0.000 0.999 97 R CB 1.084 31.410 30.300 0.044 0.000 1.209 97 R HN 0.300 nan 8.270 nan 0.000 0.486 98 E N 1.670 121.947 120.200 0.128 0.000 2.558 98 E HA 0.004 4.281 4.350 -0.122 0.000 0.255 98 E C -0.461 176.324 176.600 0.309 0.000 0.968 98 E CA 0.575 57.111 56.400 0.227 0.000 0.939 98 E CB 0.439 30.249 29.700 0.183 0.000 0.921 98 E HN 0.199 nan 8.360 nan 0.000 0.477 99 L N 2.836 124.231 121.223 0.287 0.000 2.346 99 L HA 0.289 4.556 4.340 -0.122 0.000 0.274 99 L C 0.010 176.859 176.870 -0.036 0.000 1.007 99 L CA -0.757 54.138 54.840 0.092 0.000 0.818 99 L CB 1.813 43.737 42.059 -0.225 0.000 1.284 99 L HN 0.466 nan 8.230 nan 0.000 0.424 100 Q N 3.112 122.646 119.800 -0.443 0.000 2.361 100 Q HA 0.369 4.636 4.340 -0.122 0.000 0.250 100 Q C -1.075 174.649 176.000 -0.460 0.000 1.023 100 Q CA -0.387 54.869 55.803 -0.912 0.000 0.915 100 Q CB 1.204 29.116 28.738 -1.377 0.000 1.238 100 Q HN 0.528 nan 8.270 nan 0.000 0.451 101 L N 3.593 124.604 121.223 -0.354 0.000 2.350 101 L HA 0.396 4.663 4.340 -0.122 0.000 0.275 101 L C -0.644 176.075 176.870 -0.253 0.000 1.099 101 L CA -0.195 54.486 54.840 -0.264 0.000 0.808 101 L CB 1.204 43.062 42.059 -0.334 0.000 1.149 101 L HN 0.667 nan 8.230 nan 0.000 0.442 102 E N 4.799 124.915 120.200 -0.141 0.000 2.145 102 E HA 0.303 4.580 4.350 -0.122 0.000 0.270 102 E C -1.015 175.606 176.600 0.036 0.000 0.906 102 E CA -0.745 55.615 56.400 -0.067 0.000 0.761 102 E CB 1.090 30.777 29.700 -0.022 0.000 1.116 102 E HN 0.537 nan 8.360 nan 0.000 0.408 103 K N 2.880 123.273 120.400 -0.013 0.000 2.120 103 K HA 0.111 4.358 4.320 -0.122 0.000 0.245 103 K C 1.008 177.603 176.600 -0.009 0.000 1.024 103 K CA -0.530 55.767 56.287 0.017 0.000 0.906 103 K CB 0.787 33.252 32.500 -0.058 0.000 1.051 103 K HN 0.402 nan 8.250 nan 0.000 0.491 104 K N 1.357 121.615 120.400 -0.237 0.000 2.103 104 K HA -0.204 4.043 4.320 -0.122 0.000 0.207 104 K C 1.146 177.663 176.600 -0.139 0.000 1.048 104 K CA 2.306 58.368 56.287 -0.374 0.000 0.930 104 K CB -0.112 31.831 32.500 -0.928 0.000 0.716 104 K HN 0.680 nan 8.250 nan 0.000 0.444 105 D N -1.470 118.856 120.400 -0.122 0.000 2.363 105 D HA -0.010 4.557 4.640 -0.122 0.000 0.226 105 D C 1.130 177.407 176.300 -0.039 0.000 1.020 105 D CA 1.026 54.985 54.000 -0.068 0.000 0.892 105 D CB 0.165 40.927 40.800 -0.064 0.000 0.900 105 D HN 0.471 nan 8.370 nan 0.000 0.531 106 G N -0.113 108.668 108.800 -0.032 0.000 2.213 106 G HA2 -0.285 3.602 3.960 -0.122 0.000 0.236 106 G HA3 -0.285 3.602 3.960 -0.122 0.000 0.236 106 G C 0.447 175.325 174.900 -0.036 0.000 0.991 106 G CA 0.340 45.427 45.100 -0.021 0.000 0.629 106 G HN 0.832 nan 8.290 nan 0.000 0.517 107 S N 0.128 115.801 115.700 -0.046 0.000 2.585 107 S HA 0.631 5.028 4.470 -0.122 0.000 0.273 107 S C -0.035 174.514 174.600 -0.085 0.000 1.339 107 S CA 0.177 58.343 58.200 -0.055 0.000 1.028 107 S CB 1.686 64.856 63.200 -0.049 0.000 0.906 107 S HN 0.569 nan 8.310 nan 0.000 0.528 108 K N 1.183 121.520 120.400 -0.106 0.000 2.316 108 K HA 0.694 4.941 4.320 -0.122 0.000 0.251 108 K C -0.587 175.893 176.600 -0.200 0.000 0.934 108 K CA -0.679 55.499 56.287 -0.181 0.000 0.802 108 K CB 1.660 34.025 32.500 -0.225 0.000 1.171 108 K HN 0.798 nan 8.250 nan 0.000 0.426 109 I N -2.314 118.097 120.570 -0.266 0.000 2.769 109 I HA 0.542 4.639 4.170 -0.122 0.000 0.298 109 I C -1.297 174.645 176.117 -0.292 0.000 1.128 109 I CA -1.119 60.063 61.300 -0.198 0.000 1.031 109 I CB 1.354 39.281 38.000 -0.122 0.000 1.235 109 I HN 0.527 nan 8.210 nan 0.000 0.423 110 W N 3.331 124.608 121.300 -0.037 0.000 2.316 110 W HA 0.640 5.227 4.660 -0.122 0.000 0.321 110 W C 0.422 176.931 176.519 -0.017 0.000 1.203 110 W CA 0.238 57.572 57.345 -0.020 0.000 1.214 110 W CB 1.771 31.223 29.460 -0.014 0.000 1.169 110 W HN 0.726 nan 8.180 nan 0.000 0.561 111 T N -0.015 114.688 114.554 0.248 0.000 2.838 111 T HA 0.662 4.939 4.350 -0.122 0.000 0.292 111 T C -0.780 174.069 174.700 0.249 0.000 1.113 111 T CA -1.365 60.836 62.100 0.168 0.000 1.008 111 T CB 1.862 70.785 68.868 0.091 0.000 1.259 111 T HN 0.237 nan 8.240 nan 0.000 0.520 112 R N 0.502 121.097 120.500 0.157 0.000 2.480 112 R HA 0.610 4.877 4.340 -0.122 0.000 0.306 112 R C -1.658 174.739 176.300 0.162 0.000 0.958 112 R CA -0.614 55.594 56.100 0.180 0.000 0.861 112 R CB 1.065 31.415 30.300 0.083 0.000 1.171 112 R HN 0.614 nan 8.270 nan 0.000 0.445 113 F N 0.555 120.532 119.950 0.046 0.000 2.480 113 F HA 0.627 5.091 4.527 -0.104 0.000 0.329 113 F C 0.180 176.020 175.800 0.066 0.000 1.091 113 F CA -0.887 57.149 58.000 0.060 0.000 0.972 113 F CB 2.162 41.205 39.000 0.072 0.000 1.150 113 F HN 0.540 nan 8.300 nan 0.000 0.467 114 A N 4.115 127.057 122.820 0.203 0.000 2.466 114 A HA 0.651 4.898 4.320 -0.122 0.000 0.291 114 A C -1.795 175.906 177.584 0.195 0.000 1.234 114 A CA -0.519 51.614 52.037 0.161 0.000 0.752 114 A CB 0.600 19.657 19.000 0.094 0.000 1.153 114 A HN 0.648 nan 8.150 nan 0.000 0.458 115 L N 2.330 123.685 121.223 0.220 0.000 2.295 115 L HA 0.797 5.064 4.340 -0.122 0.000 0.285 115 L C -0.288 176.710 176.870 0.212 0.000 1.035 115 L CA 0.392 55.376 54.840 0.240 0.000 0.806 115 L CB 1.783 43.987 42.059 0.241 0.000 1.214 115 L HN 0.472 nan 8.230 nan 0.000 0.426 116 S N 3.935 119.776 115.700 0.234 0.000 2.538 116 S HA 0.484 4.881 4.470 -0.122 0.000 0.288 116 S C -1.011 173.728 174.600 0.233 0.000 1.108 116 S CA -0.812 57.506 58.200 0.196 0.000 0.971 116 S CB 1.607 64.889 63.200 0.137 0.000 1.041 116 S HN 0.600 nan 8.310 nan 0.000 0.483 117 K N 2.308 122.806 120.400 0.164 0.000 2.201 117 K HA 0.546 4.793 4.320 -0.122 0.000 0.278 117 K C -1.326 175.254 176.600 -0.032 0.000 1.027 117 K CA -0.403 55.882 56.287 -0.003 0.000 0.909 117 K CB 0.557 33.045 32.500 -0.019 0.000 1.062 117 K HN 0.413 nan 8.250 nan 0.000 0.465 118 V N 3.455 123.329 119.914 -0.067 0.000 2.407 118 V HA 0.216 4.263 4.120 -0.122 0.000 0.291 118 V C -0.671 175.451 176.094 0.046 0.000 1.018 118 V CA -0.867 61.434 62.300 0.002 0.000 0.842 118 V CB 1.548 33.384 31.823 0.020 0.000 0.996 118 V HN 0.792 nan 8.190 nan 0.000 0.426 119 S N 3.831 119.543 115.700 0.021 0.000 2.457 119 S HA 0.851 5.249 4.470 -0.122 0.000 0.289 119 S C 0.103 174.737 174.600 0.057 0.000 1.163 119 S CA -0.323 57.903 58.200 0.043 0.000 1.078 119 S CB 1.415 64.614 63.200 -0.000 0.000 0.987 119 S HN 1.131 nan 8.310 nan 0.000 0.482 120 A N 2.580 125.479 122.820 0.132 0.000 2.547 120 A HA 0.698 4.945 4.320 -0.122 0.000 0.297 120 A C -0.289 177.372 177.584 0.129 0.000 1.056 120 A CA -0.984 51.102 52.037 0.081 0.000 0.688 120 A CB 0.460 19.451 19.000 -0.016 0.000 1.282 120 A HN 0.763 nan 8.150 nan 0.000 0.400 121 E N 0.592 120.826 120.200 0.056 0.000 2.365 121 E HA -0.220 4.057 4.350 -0.122 0.000 0.237 121 E C 1.095 177.723 176.600 0.046 0.000 1.238 121 E CA 1.850 58.279 56.400 0.049 0.000 0.718 121 E CB -1.655 28.083 29.700 0.064 0.000 1.218 121 E HN 2.467 nan 8.360 nan 0.000 0.387 122 G N -0.723 108.095 108.800 0.030 0.000 2.184 122 G HA2 -0.397 3.490 3.960 -0.122 0.000 0.264 122 G HA3 -0.397 3.490 3.960 -0.122 0.000 0.264 122 G C 0.168 175.061 174.900 -0.013 0.000 0.975 122 G CA 0.878 45.982 45.100 0.006 0.000 0.642 122 G HN 0.345 nan 8.290 nan 0.000 0.536 123 K N -0.493 119.906 120.400 -0.002 0.000 2.281 123 K HA 0.694 4.941 4.320 -0.122 0.000 0.242 123 K C -0.473 176.031 176.600 -0.160 0.000 0.971 123 K CA -1.006 55.208 56.287 -0.121 0.000 0.834 123 K CB 2.924 35.280 32.500 -0.239 0.000 1.181 123 K HN 0.015 nan 8.250 nan 0.000 0.435 124 V N 2.860 122.610 119.914 -0.273 0.000 2.350 124 V HA 0.289 4.336 4.120 -0.122 0.000 0.276 124 V C -0.951 174.883 176.094 -0.434 0.000 1.028 124 V CA -0.571 61.562 62.300 -0.278 0.000 0.860 124 V CB -0.243 31.424 31.823 -0.260 0.000 0.990 124 V HN 0.573 nan 8.190 nan 0.000 0.453 125 Y N 3.553 123.699 120.300 -0.256 0.000 2.602 125 Y HA 0.703 5.180 4.550 -0.121 0.000 0.330 125 Y C -0.577 175.122 175.900 -0.335 0.000 1.114 125 Y CA -0.893 57.106 58.100 -0.167 0.000 1.182 125 Y CB 1.835 40.265 38.460 -0.049 0.000 1.305 125 Y HN 0.490 nan 8.280 nan 0.000 0.502 126 Y N 1.070 121.525 120.300 0.257 0.000 2.421 126 Y HA 0.505 4.980 4.550 -0.125 0.000 0.339 126 Y C -1.287 174.735 175.900 0.202 0.000 0.996 126 Y CA -0.989 57.228 58.100 0.195 0.000 1.046 126 Y CB 1.993 40.554 38.460 0.170 0.000 1.226 126 Y HN 0.353 nan 8.280 nan 0.000 0.445 127 L N 3.478 124.901 121.223 0.332 0.000 2.319 127 L HA 0.902 5.169 4.340 -0.122 0.000 0.281 127 L C -0.870 176.157 176.870 0.262 0.000 1.005 127 L CA -0.567 54.430 54.840 0.263 0.000 0.828 127 L CB 1.140 43.309 42.059 0.185 0.000 1.227 127 L HN 0.664 nan 8.230 nan 0.000 0.415 128 A N 6.423 129.402 122.820 0.265 0.000 2.271 128 A HA 0.707 4.954 4.320 -0.122 0.000 0.317 128 A C -1.031 176.637 177.584 0.140 0.000 1.245 128 A CA -0.472 51.722 52.037 0.261 0.000 0.857 128 A CB 0.399 19.629 19.000 0.385 0.000 1.175 128 A HN 0.725 nan 8.150 nan 0.000 0.512 129 L N 3.561 124.826 121.223 0.070 0.000 2.296 129 L HA 0.567 4.834 4.340 -0.122 0.000 0.286 129 L C -0.736 176.027 176.870 -0.179 0.000 1.023 129 L CA -0.670 54.161 54.840 -0.016 0.000 0.812 129 L CB 1.674 43.746 42.059 0.022 0.000 1.223 129 L HN 0.453 nan 8.230 nan 0.000 0.421 130 V N 3.704 123.457 119.914 -0.269 0.000 2.769 130 V HA 0.699 4.746 4.120 -0.122 0.000 0.312 130 V C -0.348 175.579 176.094 -0.279 0.000 1.061 130 V CA -0.711 61.301 62.300 -0.480 0.000 0.931 130 V CB 2.220 33.597 31.823 -0.743 0.000 1.010 130 V HN 0.913 nan 8.190 nan 0.000 0.433 131 R N 1.309 121.663 120.500 -0.244 0.000 2.752 131 R HA 0.872 5.139 4.340 -0.122 0.000 0.271 131 R C -1.614 174.629 176.300 -0.094 0.000 1.026 131 R CA -0.710 55.308 56.100 -0.136 0.000 0.901 131 R CB 2.014 32.267 30.300 -0.078 0.000 1.243 131 R HN 0.567 nan 8.270 nan 0.000 0.463 132 D N 0.000 120.363 120.400 -0.062 0.000 6.856 132 D HA 0.000 4.567 4.640 -0.122 0.000 0.175 132 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 132 D CB 0.000 40.811 40.800 0.019 0.000 0.688 132 D HN 0.000 nan 8.370 nan 0.000 0.683