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 1vpi_1_A DATA FIRST_RESID 1 DATA SEQUENCE NLFQFGDMIL QKTGXKEAVH SYAIYGcYcG WGGQGRAQDA TDRccFAQDc DATA SEQUENCE cYGRVNXXDX cXXXXXNPKT ATYTYSFENG DIVcGDXNDL cLRAVcEcDR DATA SEQUENCE AAAIcLGENV NTYDKNYEYY SIXSHcTEES EQc 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 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.512 175.510 0.004 0.000 1.280 1 N CA 0.000 52.981 53.050 -0.114 0.000 0.885 1 N CB 0.000 38.426 38.487 -0.102 0.000 1.341 2 L N -0.510 120.710 121.223 -0.005 0.000 2.187 2 L HA -0.063 4.277 4.340 0.001 0.000 0.213 2 L C 1.197 178.123 176.870 0.093 0.000 1.100 2 L CA 1.350 56.240 54.840 0.083 0.000 0.765 2 L CB -0.654 41.395 42.059 -0.017 0.000 0.904 2 L HN 0.460 nan 8.230 nan 0.000 0.437 3 F N 0.498 120.513 119.950 0.108 0.000 2.186 3 F HA -0.171 4.356 4.527 0.001 0.000 0.299 3 F C 2.717 178.577 175.800 0.101 0.000 1.090 3 F CA 1.004 59.056 58.000 0.087 0.000 1.307 3 F CB -0.709 38.326 39.000 0.060 0.000 1.019 3 F HN 0.114 nan 8.300 nan 0.000 0.489 4 Q N -1.169 118.777 119.800 0.244 0.000 2.079 4 Q HA -0.198 4.143 4.340 0.001 0.000 0.200 4 Q C 2.172 178.285 176.000 0.189 0.000 0.974 4 Q CA 1.432 57.337 55.803 0.169 0.000 0.840 4 Q CB -0.541 28.144 28.738 -0.088 0.000 0.898 4 Q HN 0.380 nan 8.270 nan 0.000 0.430 5 F N 1.174 121.164 119.950 0.066 0.000 2.171 5 F HA -0.053 4.474 4.527 0.001 0.000 0.300 5 F C 1.973 177.813 175.800 0.066 0.000 1.090 5 F CA 1.592 59.625 58.000 0.055 0.000 1.293 5 F CB -0.780 38.268 39.000 0.080 0.000 1.013 5 F HN -0.006 nan 8.300 nan 0.000 0.486 6 G N -0.457 108.374 108.800 0.052 0.000 2.432 6 G HA2 -0.329 3.631 3.960 0.001 0.000 0.219 6 G HA3 -0.329 3.631 3.960 0.001 0.000 0.219 6 G C 1.368 176.296 174.900 0.047 0.000 1.135 6 G CA 1.026 46.112 45.100 -0.024 0.000 0.767 6 G HN 0.422 nan 8.290 nan 0.000 0.550 7 D N 0.272 120.771 120.400 0.165 0.000 2.117 7 D HA -0.055 4.585 4.640 0.001 0.000 0.198 7 D C 2.627 179.106 176.300 0.298 0.000 0.982 7 D CA 0.847 54.999 54.000 0.254 0.000 0.828 7 D CB -0.214 40.833 40.800 0.413 0.000 0.967 7 D HN 0.315 nan 8.370 nan 0.000 0.464 8 M N -0.388 119.369 119.600 0.262 0.000 2.117 8 M HA -0.086 4.395 4.480 0.001 0.000 0.262 8 M C 2.297 178.648 176.300 0.086 0.000 1.065 8 M CA 1.017 56.488 55.300 0.284 0.000 1.114 8 M CB -0.186 32.514 32.600 0.166 0.000 1.361 8 M HN 0.090 nan 8.290 nan 0.000 0.408 9 I N 0.082 120.576 120.570 -0.127 0.000 2.226 9 I HA -0.292 3.878 4.170 0.001 0.000 0.245 9 I C 2.425 178.486 176.117 -0.094 0.000 1.100 9 I CA 0.870 62.021 61.300 -0.249 0.000 1.374 9 I CB -0.379 37.329 38.000 -0.488 0.000 1.057 9 I HN 0.257 nan 8.210 nan 0.000 0.413 10 L N 0.690 121.894 121.223 -0.032 0.000 2.012 10 L HA -0.275 4.065 4.340 0.001 0.000 0.210 10 L C 2.488 179.334 176.870 -0.040 0.000 1.073 10 L CA 1.962 56.795 54.840 -0.012 0.000 0.748 10 L CB -0.704 41.362 42.059 0.011 0.000 0.891 10 L HN 0.170 nan 8.230 nan 0.000 0.431 11 Q N -0.550 119.217 119.800 -0.054 0.000 2.170 11 Q HA -0.160 4.180 4.340 0.001 0.000 0.203 11 Q C 1.945 177.911 176.000 -0.057 0.000 0.976 11 Q CA 1.576 57.301 55.803 -0.130 0.000 0.858 11 Q CB -0.034 28.521 28.738 -0.305 0.000 0.907 11 Q HN 0.344 nan 8.270 nan 0.000 0.433 12 K N -1.196 119.197 120.400 -0.012 0.000 2.361 12 K HA 0.094 4.415 4.320 0.001 0.000 0.196 12 K C 1.601 178.190 176.600 -0.019 0.000 1.039 12 K CA 1.362 57.645 56.287 -0.006 0.000 1.001 12 K CB 0.487 32.989 32.500 0.003 0.000 0.795 12 K HN 0.464 nan 8.250 nan 0.000 0.495 13 T N -3.771 110.768 114.554 -0.025 0.000 2.966 13 T HA 0.308 4.659 4.350 0.001 0.000 0.254 13 T C 0.887 175.575 174.700 -0.019 0.000 0.961 13 T CA 0.473 62.569 62.100 -0.007 0.000 0.915 13 T CB 0.620 69.515 68.868 0.044 0.000 1.186 13 T HN 0.253 nan 8.240 nan 0.000 0.505 17 E N 1.690 121.926 120.200 0.060 0.000 2.180 17 E HA 0.306 4.657 4.350 0.001 0.000 0.283 17 E C 0.556 177.233 176.600 0.128 0.000 1.061 17 E CA 0.330 56.797 56.400 0.111 0.000 0.861 17 E CB 1.336 31.146 29.700 0.182 0.000 1.056 17 E HN 0.641 nan 8.360 nan 0.000 0.407 18 A N 4.380 127.281 122.820 0.134 0.000 1.917 18 A HA -0.195 4.125 4.320 0.001 0.000 0.219 18 A C 2.009 179.659 177.584 0.110 0.000 1.182 18 A CA 2.099 54.236 52.037 0.168 0.000 0.633 18 A CB -1.147 17.908 19.000 0.092 0.000 0.819 18 A HN 0.880 nan 8.150 nan 0.000 0.448 19 V N -3.111 116.834 119.914 0.053 0.000 2.867 19 V HA -0.207 3.914 4.120 0.001 0.000 0.260 19 V C 1.714 177.693 176.094 -0.192 0.000 1.099 19 V CA 2.444 64.712 62.300 -0.054 0.000 1.122 19 V CB -1.391 30.389 31.823 -0.072 0.000 0.708 19 V HN 0.688 nan 8.190 nan 0.000 0.490 20 H N 0.003 119.113 119.070 0.068 0.000 2.586 20 H HA 0.314 4.870 4.556 0.001 0.000 0.273 20 H C 1.791 177.120 175.328 0.002 0.000 0.997 20 H CA 0.544 56.621 56.048 0.049 0.000 1.177 20 H CB 0.571 30.355 29.762 0.037 0.000 1.471 20 H HN 0.751 nan 8.280 nan 0.000 0.538 21 S N -1.678 114.052 115.700 0.051 0.000 4.585 21 S HA -0.030 4.441 4.470 0.001 0.000 0.155 21 S C 1.297 175.884 174.600 -0.022 0.000 0.954 21 S CA -0.447 57.735 58.200 -0.030 0.000 1.213 21 S CB -0.348 62.677 63.200 -0.293 0.000 1.901 21 S HN 0.114 nan 8.310 nan 0.000 0.805 22 Y N 2.931 123.313 120.300 0.136 0.000 2.207 22 Y HA 0.115 4.665 4.550 0.000 0.000 0.287 22 Y C 3.010 178.983 175.900 0.121 0.000 1.156 22 Y CA 0.922 59.089 58.100 0.111 0.000 1.182 22 Y CB -0.921 37.541 38.460 0.004 0.000 0.979 22 Y HN 0.551 nan 8.280 nan 0.000 0.521 23 A N 0.399 123.345 122.820 0.209 0.000 2.076 23 A HA -0.132 4.188 4.320 0.001 0.000 0.220 23 A C 1.396 179.066 177.584 0.143 0.000 1.160 23 A CA 1.992 54.130 52.037 0.168 0.000 0.653 23 A CB -1.080 17.988 19.000 0.113 0.000 0.801 23 A HN 0.554 nan 8.150 nan 0.000 0.455 24 I N -5.721 114.883 120.570 0.058 0.000 3.597 24 I HA 0.387 4.557 4.170 0.001 0.000 0.323 24 I C -0.381 175.700 176.117 -0.060 0.000 1.535 24 I CA -1.250 60.022 61.300 -0.047 0.000 1.028 24 I CB -0.484 37.312 38.000 -0.340 0.000 1.354 24 I HN 0.096 nan 8.210 nan 0.000 0.544 25 Y N 2.611 122.865 120.300 -0.077 0.000 2.320 25 Y HA 0.693 5.243 4.550 0.001 0.000 0.334 25 Y C 1.347 177.176 175.900 -0.117 0.000 1.055 25 Y CA 0.708 58.725 58.100 -0.139 0.000 1.143 25 Y CB 0.735 39.123 38.460 -0.120 0.000 1.193 25 Y HN 0.579 nan 8.280 nan 0.000 0.477 26 G N 3.039 111.471 108.800 -0.613 0.000 2.578 26 G HA2 -0.331 3.630 3.960 0.001 0.000 0.275 26 G HA3 -0.331 3.630 3.960 0.001 0.000 0.275 26 G C 0.655 175.503 174.900 -0.086 0.000 1.271 26 G CA 0.032 44.826 45.100 -0.510 0.000 0.941 26 G HN 0.870 nan 8.290 nan 0.000 0.564 27 c N -1.188 117.381 118.600 -0.051 0.000 2.780 27 c HA 0.457 5.028 4.570 0.001 0.000 0.267 27 c C 1.815 175.607 174.090 -0.497 0.000 1.266 27 c CA 1.223 57.436 56.329 -0.194 0.000 1.709 27 c CB -1.071 41.289 42.510 -0.249 0.000 1.975 27 c HN 0.501 nan 8.230 nan 0.000 0.582 28 Y N -1.621 118.749 120.300 0.117 0.000 2.494 28 Y HA 0.263 4.814 4.550 0.001 0.000 0.271 28 Y C 1.446 177.438 175.900 0.152 0.000 1.113 28 Y CA -0.454 57.732 58.100 0.142 0.000 1.240 28 Y CB -0.328 38.243 38.460 0.186 0.000 1.268 28 Y HN 0.061 nan 8.280 nan 0.000 0.510 29 c N 1.932 120.717 118.600 0.308 0.000 2.629 29 c HA 0.501 5.072 4.570 0.001 0.000 0.410 29 c C 1.607 175.857 174.090 0.267 0.000 1.339 29 c CA 0.608 57.119 56.329 0.303 0.000 1.810 29 c CB -0.584 42.154 42.510 0.379 0.000 2.549 29 c HN 0.936 nan 8.230 nan 0.000 0.589 30 G N 3.163 112.116 108.800 0.255 0.000 2.574 30 G HA2 -0.291 3.670 3.960 0.001 0.000 0.301 30 G HA3 -0.291 3.670 3.960 0.001 0.000 0.301 30 G C 0.063 175.110 174.900 0.245 0.000 1.166 30 G CA 0.367 45.616 45.100 0.248 0.000 0.971 30 G HN 0.866 nan 8.290 nan 0.000 0.542 31 W N 3.905 125.249 121.300 0.074 0.000 2.416 31 W HA 0.530 5.190 4.660 0.001 0.000 0.318 31 W C 0.609 177.146 176.519 0.030 0.000 1.150 31 W CA 0.870 58.247 57.345 0.053 0.000 1.392 31 W CB -0.056 29.434 29.460 0.050 0.000 1.311 31 W HN 1.350 nan 8.180 nan 0.000 0.436 32 G N 1.936 110.669 108.800 -0.112 0.000 2.435 32 G HA2 0.425 4.386 3.960 0.001 0.000 0.228 32 G HA3 0.425 4.386 3.960 0.001 0.000 0.228 32 G C 0.036 174.819 174.900 -0.194 0.000 1.198 32 G CA 0.061 45.094 45.100 -0.111 0.000 0.948 32 G HN 1.001 nan 8.290 nan 0.000 0.487 33 G N -1.100 107.526 108.800 -0.289 0.000 2.559 33 G HA2 0.382 4.342 3.960 0.001 0.000 0.202 33 G HA3 0.382 4.342 3.960 0.001 0.000 0.202 33 G C 0.063 174.927 174.900 -0.059 0.000 0.992 33 G CA 1.275 46.316 45.100 -0.099 0.000 0.764 33 G HN 1.554 nan 8.290 nan 0.000 0.525 34 Q N -0.953 118.670 119.800 -0.295 0.000 2.590 34 Q HA 0.690 5.030 4.340 0.001 0.000 0.295 34 Q C 0.306 176.197 176.000 -0.182 0.000 0.973 34 Q CA -0.251 55.498 55.803 -0.091 0.000 0.768 34 Q CB 1.958 30.684 28.738 -0.019 0.000 1.479 34 Q HN 1.884 nan 8.270 nan 0.000 0.419 35 G N 0.587 109.388 108.800 0.002 0.000 2.582 35 G HA2 -0.123 3.837 3.960 0.001 0.000 0.222 35 G HA3 -0.123 3.837 3.960 0.001 0.000 0.222 35 G C -1.268 173.697 174.900 0.109 0.000 1.311 35 G CA -0.608 44.499 45.100 0.012 0.000 0.915 35 G HN 0.620 nan 8.290 nan 0.000 0.528 36 R N 0.076 120.621 120.500 0.075 0.000 2.474 36 R HA 0.641 4.981 4.340 0.001 0.000 0.295 36 R C 0.632 177.002 176.300 0.117 0.000 0.980 36 R CA -0.050 56.093 56.100 0.072 0.000 0.934 36 R CB 1.623 31.922 30.300 -0.002 0.000 1.101 36 R HN 1.236 nan 8.270 nan 0.000 0.469 37 A N 2.825 125.702 122.820 0.095 0.000 2.522 37 A HA -0.026 4.295 4.320 0.001 0.000 0.256 37 A C 1.021 178.582 177.584 -0.038 0.000 1.086 37 A CA -0.063 52.032 52.037 0.096 0.000 0.763 37 A CB 0.386 19.362 19.000 -0.039 0.000 1.024 37 A HN 0.700 nan 8.150 nan 0.000 0.502 38 Q N 1.128 120.836 119.800 -0.152 0.000 2.167 38 Q HA -0.051 4.289 4.340 0.001 0.000 0.202 38 Q C 0.130 175.969 176.000 -0.268 0.000 0.970 38 Q CA 1.744 57.320 55.803 -0.379 0.000 0.855 38 Q CB -0.066 28.041 28.738 -1.051 0.000 0.911 38 Q HN 1.027 nan 8.270 nan 0.000 0.438 39 D N -3.458 116.867 120.400 -0.126 0.000 2.851 39 D HA 0.262 4.903 4.640 0.001 0.000 0.339 39 D C 0.363 176.697 176.300 0.057 0.000 1.347 39 D CA 0.075 54.083 54.000 0.014 0.000 0.888 39 D CB -0.210 40.664 40.800 0.123 0.000 1.431 39 D HN -0.149 nan 8.370 nan 0.000 0.509 40 A N -0.110 122.757 122.820 0.079 0.000 1.908 40 A HA -0.130 4.190 4.320 0.001 0.000 0.218 40 A C 1.993 179.628 177.584 0.085 0.000 1.181 40 A CA 2.899 54.979 52.037 0.071 0.000 0.627 40 A CB -1.439 17.602 19.000 0.069 0.000 0.818 40 A HN 0.622 nan 8.150 nan 0.000 0.445 41 T N -0.301 114.319 114.554 0.109 0.000 2.652 41 T HA -0.169 4.182 4.350 0.001 0.000 0.267 41 T C 1.745 176.526 174.700 0.135 0.000 1.039 41 T CA 1.746 63.903 62.100 0.094 0.000 1.153 41 T CB -0.461 68.394 68.868 -0.022 0.000 0.863 41 T HN 0.536 nan 8.240 nan 0.000 0.428 42 D N 0.550 121.071 120.400 0.203 0.000 2.144 42 D HA -0.047 4.594 4.640 0.001 0.000 0.199 42 D C 2.369 178.779 176.300 0.182 0.000 0.984 42 D CA 0.882 55.023 54.000 0.234 0.000 0.834 42 D CB -0.079 40.821 40.800 0.166 0.000 0.955 42 D HN 0.273 nan 8.370 nan 0.000 0.465 43 R N -0.569 119.997 120.500 0.111 0.000 2.115 43 R HA -0.058 4.283 4.340 0.001 0.000 0.230 43 R C 2.524 178.879 176.300 0.092 0.000 1.111 43 R CA 0.916 57.069 56.100 0.089 0.000 0.976 43 R CB -0.438 29.890 30.300 0.047 0.000 0.870 43 R HN 0.297 nan 8.270 nan 0.000 0.445 44 c N -0.255 118.387 118.600 0.070 0.000 2.432 44 c HA -0.144 4.427 4.570 0.001 0.000 0.277 44 c C 2.903 177.000 174.090 0.011 0.000 1.249 44 c CA 0.307 56.654 56.329 0.030 0.000 1.725 44 c CB -0.794 41.733 42.510 0.029 0.000 2.028 44 c HN 0.611 nan 8.230 nan 0.000 0.477 45 c N -0.122 118.524 118.600 0.076 0.000 2.440 45 c HA -0.092 4.478 4.570 0.001 0.000 0.278 45 c C 2.432 176.530 174.090 0.015 0.000 1.295 45 c CA 0.799 57.175 56.329 0.078 0.000 1.738 45 c CB -1.629 41.009 42.510 0.212 0.000 1.987 45 c HN 0.675 nan 8.230 nan 0.000 0.492 46 F N 2.550 122.429 119.950 -0.119 0.000 2.102 46 F HA -0.042 4.486 4.527 0.001 0.000 0.298 46 F C 2.340 177.990 175.800 -0.251 0.000 1.105 46 F CA 1.531 59.327 58.000 -0.340 0.000 1.239 46 F CB -0.573 38.053 39.000 -0.623 0.000 0.991 46 F HN 0.137 nan 8.300 nan 0.000 0.474 47 A N -0.072 122.586 122.820 -0.269 0.000 1.972 47 A HA -0.248 4.073 4.320 0.001 0.000 0.219 47 A C 2.276 179.636 177.584 -0.373 0.000 1.169 47 A CA 1.687 53.527 52.037 -0.328 0.000 0.635 47 A CB -1.011 17.913 19.000 -0.128 0.000 0.810 47 A HN 0.642 nan 8.150 nan 0.000 0.446 48 Q N -0.396 119.189 119.800 -0.357 0.000 2.119 48 Q HA -0.212 4.129 4.340 0.001 0.000 0.201 48 Q C 1.112 176.727 176.000 -0.641 0.000 0.972 48 Q CA 1.665 57.172 55.803 -0.493 0.000 0.847 48 Q CB -0.176 28.239 28.738 -0.538 0.000 0.903 48 Q HN 0.599 nan 8.270 nan 0.000 0.433 49 D N 0.016 120.094 120.400 -0.536 0.000 2.144 49 D HA -0.144 4.496 4.640 0.001 0.000 0.199 49 D C 1.960 178.053 176.300 -0.344 0.000 0.984 49 D CA 1.098 54.855 54.000 -0.405 0.000 0.834 49 D CB -0.330 40.308 40.800 -0.270 0.000 0.955 49 D HN 0.355 nan 8.370 nan 0.000 0.465 50 c N 0.319 118.622 118.600 -0.494 0.000 2.429 50 c HA -0.119 4.452 4.570 0.001 0.000 0.277 50 c C 3.032 176.994 174.090 -0.214 0.000 1.262 50 c CA -0.024 56.081 56.329 -0.374 0.000 1.733 50 c CB -1.020 41.219 42.510 -0.451 0.000 2.010 50 c HN 0.488 nan 8.230 nan 0.000 0.483 51 c N -0.019 118.446 118.600 -0.226 0.000 2.432 51 c HA -0.141 4.429 4.570 0.001 0.000 0.277 51 c C 2.670 176.763 174.090 0.006 0.000 1.249 51 c CA 1.039 57.290 56.329 -0.129 0.000 1.725 51 c CB -1.524 40.880 42.510 -0.176 0.000 2.028 51 c HN 0.648 nan 8.230 nan 0.000 0.477 52 Y N 1.261 121.460 120.300 -0.169 0.000 2.256 52 Y HA 0.003 4.553 4.550 0.001 0.000 0.288 52 Y C 2.714 178.546 175.900 -0.114 0.000 1.155 52 Y CA 1.341 59.357 58.100 -0.139 0.000 1.203 52 Y CB -1.533 36.843 38.460 -0.139 0.000 0.980 52 Y HN 0.461 nan 8.280 nan 0.000 0.530 53 G N -0.455 108.375 108.800 0.049 0.000 2.470 53 G HA2 -0.209 3.751 3.960 0.001 0.000 0.220 53 G HA3 -0.209 3.751 3.960 0.001 0.000 0.220 53 G C 1.746 176.633 174.900 -0.023 0.000 1.121 53 G CA 0.365 45.459 45.100 -0.010 0.000 0.766 53 G HN 0.345 nan 8.290 nan 0.000 0.553 54 R N -0.177 120.309 120.500 -0.024 0.000 2.312 54 R HA 0.235 4.575 4.340 0.001 0.000 0.205 54 R C 1.197 177.479 176.300 -0.030 0.000 0.904 54 R CA -0.004 56.077 56.100 -0.031 0.000 1.052 54 R CB 0.274 30.550 30.300 -0.040 0.000 1.014 54 R HN 0.362 nan 8.270 nan 0.000 0.503 55 V N -0.420 119.477 119.914 -0.028 0.000 3.441 55 V HA 0.187 4.308 4.120 0.001 0.000 0.300 55 V C 0.186 176.253 176.094 -0.045 0.000 1.091 55 V CA -0.745 61.530 62.300 -0.042 0.000 1.099 55 V CB 0.821 32.605 31.823 -0.065 0.000 1.138 55 V HN -0.021 nan 8.190 nan 0.000 0.471 68 P HA -0.154 nan 4.420 nan 0.000 0.216 68 P C 1.237 178.329 177.300 -0.347 0.000 1.150 68 P CA 1.257 64.050 63.100 -0.510 0.000 0.843 68 P CB 0.468 31.442 31.700 -1.209 0.000 0.787 69 K N -0.328 119.930 120.400 -0.237 0.000 2.097 69 K HA -0.106 4.215 4.320 0.001 0.000 0.206 69 K C 1.439 177.979 176.600 -0.099 0.000 1.049 69 K CA 2.012 58.228 56.287 -0.118 0.000 0.933 69 K CB -0.317 32.139 32.500 -0.074 0.000 0.717 69 K HN 0.226 nan 8.250 nan 0.000 0.442 70 T N -2.408 112.089 114.554 -0.095 0.000 3.023 70 T HA 0.368 4.718 4.350 0.001 0.000 0.253 70 T C 0.501 175.159 174.700 -0.070 0.000 1.038 70 T CA -0.091 61.968 62.100 -0.069 0.000 0.962 70 T CB 0.418 69.258 68.868 -0.046 0.000 1.018 70 T HN 0.197 nan 8.240 nan 0.000 0.521 71 A N 2.147 124.918 122.820 -0.081 0.000 2.515 71 A HA 0.467 4.788 4.320 0.001 0.000 0.263 71 A C 0.371 177.901 177.584 -0.090 0.000 1.096 71 A CA -0.092 51.914 52.037 -0.052 0.000 0.769 71 A CB -0.339 18.646 19.000 -0.026 0.000 1.040 71 A HN 0.344 nan 8.150 nan 0.000 0.505 72 T N 4.438 118.941 114.554 -0.086 0.000 2.781 72 T HA 0.483 4.833 4.350 0.001 0.000 0.305 72 T C -0.247 174.403 174.700 -0.083 0.000 1.001 72 T CA 0.062 62.060 62.100 -0.169 0.000 0.950 72 T CB -0.349 68.468 68.868 -0.084 0.000 0.955 72 T HN 0.550 nan 8.240 nan 0.000 0.471 73 Y N 0.591 120.929 120.300 0.064 0.000 2.496 73 Y HA 0.796 5.347 4.550 0.001 0.000 0.325 73 Y C 0.293 176.276 175.900 0.139 0.000 1.271 73 Y CA -1.556 56.587 58.100 0.073 0.000 1.368 73 Y CB 0.067 38.553 38.460 0.043 0.000 1.415 73 Y HN 0.239 nan 8.280 nan 0.000 0.527 74 T N 2.428 117.232 114.554 0.418 0.000 2.771 74 T HA 0.522 4.873 4.350 0.001 0.000 0.281 74 T C -1.500 173.403 174.700 0.337 0.000 0.982 74 T CA -0.435 61.829 62.100 0.272 0.000 0.978 74 T CB 0.054 68.991 68.868 0.116 0.000 0.930 74 T HN 0.683 nan 8.240 nan 0.000 0.447 75 Y N 0.119 120.474 120.300 0.092 0.000 2.670 75 Y HA 0.808 5.359 4.550 0.001 0.000 0.334 75 Y C -0.743 175.097 175.900 -0.100 0.000 1.185 75 Y CA -1.529 56.557 58.100 -0.023 0.000 1.053 75 Y CB 0.909 39.347 38.460 -0.036 0.000 1.298 75 Y HN 0.651 nan 8.280 nan 0.000 0.459 76 S N 0.193 115.721 115.700 -0.287 0.000 2.596 76 S HA 0.743 5.213 4.470 0.001 0.000 0.270 76 S C -1.944 172.459 174.600 -0.328 0.000 1.155 76 S CA -0.879 57.106 58.200 -0.359 0.000 0.827 76 S CB 1.428 64.535 63.200 -0.155 0.000 1.130 76 S HN 0.545 nan 8.310 nan 0.000 0.467 77 F N 0.992 120.967 119.950 0.041 0.000 2.404 77 F HA 0.507 5.035 4.527 0.001 0.000 0.354 77 F C 0.714 176.535 175.800 0.036 0.000 1.122 77 F CA -0.365 57.678 58.000 0.072 0.000 1.080 77 F CB 1.474 40.516 39.000 0.071 0.000 1.131 77 F HN 0.664 nan 8.300 nan 0.000 0.471 78 E N 3.436 123.737 120.200 0.169 0.000 2.121 78 E HA 0.310 4.661 4.350 0.001 0.000 0.255 78 E C -0.192 176.476 176.600 0.113 0.000 0.906 78 E CA -0.117 56.346 56.400 0.105 0.000 0.745 78 E CB 0.441 30.176 29.700 0.058 0.000 1.155 78 E HN 0.754 nan 8.360 nan 0.000 0.424 79 N N 1.364 120.130 118.700 0.110 0.000 2.468 79 N HA -0.245 4.496 4.740 0.001 0.000 0.201 79 N C 0.984 176.564 175.510 0.117 0.000 0.643 79 N CA 1.992 55.093 53.050 0.084 0.000 1.579 79 N CB -1.237 37.287 38.487 0.061 0.000 1.556 79 N HN 0.493 nan 8.380 nan 0.000 0.384 80 G N -0.872 107.996 108.800 0.114 0.000 2.784 80 G HA2 0.141 4.101 3.960 0.001 0.000 0.208 80 G HA3 0.141 4.101 3.960 0.001 0.000 0.208 80 G C -0.503 174.538 174.900 0.235 0.000 1.120 80 G CA 0.268 45.452 45.100 0.139 0.000 0.774 80 G HN 0.496 nan 8.290 nan 0.000 0.528 81 D N 0.532 121.035 120.400 0.172 0.000 2.449 81 D HA 0.188 4.829 4.640 0.001 0.000 0.236 81 D C 0.194 176.593 176.300 0.164 0.000 1.149 81 D CA 0.389 54.475 54.000 0.144 0.000 0.878 81 D CB 1.479 42.328 40.800 0.082 0.000 1.198 81 D HN 0.080 nan 8.370 nan 0.000 0.446 82 I N 1.526 122.155 120.570 0.099 0.000 2.331 82 I HA 0.189 4.359 4.170 0.001 0.000 0.292 82 I C -0.401 175.705 176.117 -0.020 0.000 0.998 82 I CA -0.676 60.621 61.300 -0.005 0.000 1.267 82 I CB 1.292 39.287 38.000 -0.009 0.000 1.386 82 I HN -0.084 nan 8.210 nan 0.000 0.476 83 V N 5.984 125.877 119.914 -0.034 0.000 2.407 83 V HA 0.249 4.370 4.120 0.001 0.000 0.291 83 V C -0.201 175.891 176.094 -0.003 0.000 1.018 83 V CA -0.674 61.614 62.300 -0.019 0.000 0.842 83 V CB 1.447 33.263 31.823 -0.011 0.000 0.996 83 V HN 0.805 nan 8.190 nan 0.000 0.426 84 c N 3.892 122.476 118.600 -0.026 0.000 2.514 84 c HA 0.508 5.078 4.570 0.001 0.000 0.392 84 c C 1.602 175.690 174.090 -0.004 0.000 1.294 84 c CA 0.196 56.510 56.329 -0.026 0.000 1.957 84 c CB 0.319 42.761 42.510 -0.113 0.000 2.541 84 c HN 1.095 nan 8.230 nan 0.000 0.569 85 G N 1.863 110.681 108.800 0.029 0.000 3.159 85 G HA2 0.091 4.052 3.960 0.001 0.000 0.232 85 G HA3 0.091 4.052 3.960 0.001 0.000 0.232 85 G C 0.180 175.093 174.900 0.022 0.000 1.116 85 G CA -0.001 45.111 45.100 0.019 0.000 0.767 85 G HN 0.707 nan 8.290 nan 0.000 0.547 89 D N 2.273 122.677 120.400 0.006 0.000 2.487 89 D HA 0.026 4.666 4.640 0.001 0.000 0.243 89 D C 1.324 177.621 176.300 -0.004 0.000 1.154 89 D CA 0.105 54.107 54.000 0.003 0.000 0.876 89 D CB 0.866 41.673 40.800 0.011 0.000 1.161 89 D HN 0.236 nan 8.370 nan 0.000 0.478 90 L N 3.596 124.813 121.223 -0.011 0.000 2.042 90 L HA -0.213 4.128 4.340 0.001 0.000 0.210 90 L C 2.780 179.635 176.870 -0.024 0.000 1.076 90 L CA 0.822 55.651 54.840 -0.019 0.000 0.749 90 L CB -0.543 41.504 42.059 -0.020 0.000 0.893 90 L HN 0.564 nan 8.230 nan 0.000 0.432 91 c N 0.161 118.748 118.600 -0.021 0.000 2.466 91 c HA -0.058 4.513 4.570 0.001 0.000 0.278 91 c C 2.786 176.863 174.090 -0.022 0.000 1.288 91 c CA 0.331 56.642 56.329 -0.029 0.000 1.722 91 c CB -0.681 41.810 42.510 -0.031 0.000 2.017 91 c HN 0.395 nan 8.230 nan 0.000 0.488 92 L N 0.514 121.741 121.223 0.007 0.000 2.046 92 L HA -0.101 4.240 4.340 0.001 0.000 0.208 92 L C 2.836 179.712 176.870 0.009 0.000 1.077 92 L CA 1.493 56.368 54.840 0.059 0.000 0.747 92 L CB -0.737 41.379 42.059 0.095 0.000 0.896 92 L HN 0.261 nan 8.230 nan 0.000 0.432 93 R N 0.793 121.279 120.500 -0.023 0.000 2.066 93 R HA -0.099 4.241 4.340 0.001 0.000 0.232 93 R C 2.215 178.450 176.300 -0.109 0.000 1.131 93 R CA 1.744 57.803 56.100 -0.068 0.000 0.955 93 R CB -0.734 29.541 30.300 -0.043 0.000 0.851 93 R HN 0.287 nan 8.270 nan 0.000 0.432 94 A N -0.302 122.470 122.820 -0.080 0.000 1.933 94 A HA -0.085 4.236 4.320 0.001 0.000 0.218 94 A C 2.326 179.850 177.584 -0.101 0.000 1.175 94 A CA 1.753 53.741 52.037 -0.081 0.000 0.628 94 A CB -0.658 18.307 19.000 -0.058 0.000 0.814 94 A HN 0.188 nan 8.150 nan 0.000 0.444 95 V N -1.188 118.661 119.914 -0.109 0.000 2.358 95 V HA -0.270 3.850 4.120 0.001 0.000 0.246 95 V C 2.665 178.601 176.094 -0.263 0.000 1.047 95 V CA 1.796 64.028 62.300 -0.113 0.000 1.035 95 V CB -1.009 30.772 31.823 -0.069 0.000 0.658 95 V HN 0.801 nan 8.190 nan 0.000 0.452 96 c N 0.397 118.679 118.600 -0.529 0.000 2.425 96 c HA -0.138 4.433 4.570 0.001 0.000 0.277 96 c C 2.784 176.589 174.090 -0.475 0.000 1.280 96 c CA 1.134 56.880 56.329 -0.973 0.000 1.744 96 c CB -0.995 40.921 42.510 -0.989 0.000 1.989 96 c HN 0.589 nan 8.230 nan 0.000 0.491 97 E N -0.115 119.917 120.200 -0.280 0.000 2.106 97 E HA -0.155 4.196 4.350 0.001 0.000 0.192 97 E C 2.278 178.780 176.600 -0.162 0.000 0.984 97 E CA 1.508 57.799 56.400 -0.181 0.000 0.806 97 E CB -0.663 28.962 29.700 -0.125 0.000 0.750 97 E HN 0.766 nan 8.360 nan 0.000 0.458 98 c N 1.309 119.820 118.600 -0.149 0.000 2.446 98 c HA -0.111 4.460 4.570 0.001 0.000 0.277 98 c C 2.274 176.215 174.090 -0.248 0.000 1.275 98 c CA 0.572 56.809 56.329 -0.153 0.000 1.727 98 c CB -0.749 41.737 42.510 -0.040 0.000 2.010 98 c HN 0.385 nan 8.230 nan 0.000 0.486 99 D N 0.280 120.514 120.400 -0.276 0.000 2.117 99 D HA -0.128 4.512 4.640 0.001 0.000 0.197 99 D C 2.268 178.501 176.300 -0.111 0.000 0.987 99 D CA 0.996 54.774 54.000 -0.370 0.000 0.829 99 D CB -0.545 40.105 40.800 -0.250 0.000 0.961 99 D HN 0.510 nan 8.370 nan 0.000 0.460 100 R N 0.902 121.321 120.500 -0.136 0.000 2.080 100 R HA -0.155 4.186 4.340 0.001 0.000 0.236 100 R C 2.094 178.379 176.300 -0.027 0.000 1.137 100 R CA 1.853 57.913 56.100 -0.067 0.000 0.943 100 R CB -0.326 29.910 30.300 -0.108 0.000 0.846 100 R HN 0.113 nan 8.270 nan 0.000 0.431 101 A N 0.696 123.477 122.820 -0.066 0.000 1.908 101 A HA -0.101 4.219 4.320 0.001 0.000 0.218 101 A C 2.404 179.969 177.584 -0.033 0.000 1.181 101 A CA 1.811 53.816 52.037 -0.053 0.000 0.627 101 A CB -0.803 18.148 19.000 -0.081 0.000 0.818 101 A HN 0.615 nan 8.150 nan 0.000 0.445 102 A N -0.342 122.450 122.820 -0.046 0.000 1.930 102 A HA 0.245 4.566 4.320 0.001 0.000 0.217 102 A C 2.482 180.148 177.584 0.136 0.000 1.175 102 A CA 1.829 53.874 52.037 0.014 0.000 0.627 102 A CB -0.923 18.022 19.000 -0.092 0.000 0.815 102 A HN 1.018 nan 8.150 nan 0.000 0.443 103 A N 0.026 122.987 122.820 0.235 0.000 1.902 103 A HA -0.069 4.251 4.320 0.001 0.000 0.217 103 A C 2.091 179.689 177.584 0.022 0.000 1.181 103 A CA 1.495 53.602 52.037 0.116 0.000 0.623 103 A CB -0.590 18.499 19.000 0.148 0.000 0.818 103 A HN 0.489 nan 8.150 nan 0.000 0.443 104 I N -0.983 119.608 120.570 0.035 0.000 2.226 104 I HA -0.291 3.879 4.170 0.001 0.000 0.245 104 I C 2.686 178.807 176.117 0.007 0.000 1.100 104 I CA 1.204 62.517 61.300 0.021 0.000 1.374 104 I CB -0.426 37.585 38.000 0.018 0.000 1.057 104 I HN 0.554 nan 8.210 nan 0.000 0.413 105 c N 1.216 119.817 118.600 0.003 0.000 2.432 105 c HA -0.149 4.421 4.570 0.001 0.000 0.277 105 c C 2.767 176.854 174.090 -0.006 0.000 1.249 105 c CA 0.887 57.217 56.329 0.001 0.000 1.725 105 c CB -0.996 41.512 42.510 -0.002 0.000 2.028 105 c HN 0.406 nan 8.230 nan 0.000 0.477 106 L N 0.766 121.963 121.223 -0.044 0.000 2.046 106 L HA 0.005 4.346 4.340 0.001 0.000 0.208 106 L C 2.887 179.735 176.870 -0.037 0.000 1.077 106 L CA 1.743 56.524 54.840 -0.098 0.000 0.747 106 L CB -1.171 40.670 42.059 -0.364 0.000 0.896 106 L HN 0.569 nan 8.230 nan 0.000 0.432 107 G N -0.415 108.363 108.800 -0.037 0.000 2.422 107 G HA2 -0.307 3.653 3.960 0.001 0.000 0.218 107 G HA3 -0.307 3.653 3.960 0.001 0.000 0.218 107 G C 1.464 176.376 174.900 0.019 0.000 1.146 107 G CA 0.822 45.919 45.100 -0.005 0.000 0.769 107 G HN 0.484 nan 8.290 nan 0.000 0.547 108 E N 0.490 120.701 120.200 0.018 0.000 2.204 108 E HA -0.076 4.275 4.350 0.001 0.000 0.194 108 E C 1.328 177.952 176.600 0.040 0.000 0.989 108 E CA 0.825 57.241 56.400 0.026 0.000 0.824 108 E CB -0.039 29.674 29.700 0.022 0.000 0.756 108 E HN 0.389 nan 8.360 nan 0.000 0.477 109 N N 0.314 119.045 118.700 0.052 0.000 2.204 109 N HA -0.020 4.720 4.740 0.001 0.000 0.219 109 N C 1.124 176.703 175.510 0.116 0.000 1.151 109 N CA 0.064 53.160 53.050 0.077 0.000 0.867 109 N CB 1.287 39.820 38.487 0.077 0.000 1.043 109 N HN 0.038 nan 8.380 nan 0.000 0.516 110 V N 2.221 122.202 119.914 0.112 0.000 2.720 110 V HA -0.255 3.866 4.120 0.001 0.000 0.256 110 V C 1.480 177.653 176.094 0.132 0.000 1.082 110 V CA 1.940 64.326 62.300 0.144 0.000 1.101 110 V CB -0.508 31.364 31.823 0.083 0.000 0.693 110 V HN 0.412 nan 8.190 nan 0.000 0.479 111 N N 0.657 119.414 118.700 0.096 0.000 2.289 111 N HA -0.141 4.600 4.740 0.001 0.000 0.184 111 N C 1.357 176.929 175.510 0.103 0.000 1.016 111 N CA 1.589 54.687 53.050 0.081 0.000 0.872 111 N CB -0.560 37.962 38.487 0.058 0.000 0.973 111 N HN 0.618 nan 8.380 nan 0.000 0.433 112 T N -4.677 109.954 114.554 0.128 0.000 3.092 112 T HA 0.070 4.421 4.350 0.001 0.000 0.258 112 T C 0.027 174.836 174.700 0.182 0.000 1.031 112 T CA -0.747 61.433 62.100 0.133 0.000 0.925 112 T CB -0.745 68.192 68.868 0.114 0.000 1.036 112 T HN 0.228 nan 8.240 nan 0.000 0.544 113 Y N 3.183 123.530 120.300 0.077 0.000 2.802 113 Y HA 0.268 4.818 4.550 0.001 0.000 0.333 113 Y C -0.148 175.826 175.900 0.124 0.000 1.244 113 Y CA -0.373 57.776 58.100 0.082 0.000 1.558 113 Y CB 0.160 38.596 38.460 -0.040 0.000 1.233 113 Y HN 0.138 nan 8.280 nan 0.000 0.547 114 D N 6.305 126.707 120.400 0.004 0.000 2.440 114 D HA 0.167 4.808 4.640 0.001 0.000 0.239 114 D C 0.463 176.637 176.300 -0.210 0.000 1.084 114 D CA -0.398 53.534 54.000 -0.113 0.000 0.843 114 D CB 1.146 41.723 40.800 -0.371 0.000 1.097 114 D HN 0.653 nan 8.370 nan 0.000 0.531 115 K N 2.233 122.629 120.400 -0.007 0.000 2.286 115 K HA -0.112 4.209 4.320 0.001 0.000 0.203 115 K C 1.026 177.544 176.600 -0.137 0.000 1.045 115 K CA 0.541 56.847 56.287 0.033 0.000 0.935 115 K CB 0.206 32.766 32.500 0.101 0.000 0.737 115 K HN 0.448 nan 8.250 nan 0.000 0.460 116 N N 0.090 118.615 118.700 -0.292 0.000 2.520 116 N HA -0.133 4.607 4.740 0.001 0.000 0.185 116 N C 0.827 176.090 175.510 -0.412 0.000 1.068 116 N CA 0.970 53.831 53.050 -0.315 0.000 0.911 116 N CB 0.024 38.295 38.487 -0.360 0.000 0.961 116 N HN 0.264 nan 8.380 nan 0.000 0.446 117 Y N 1.127 121.055 120.300 -0.619 0.000 2.466 117 Y HA 0.239 4.789 4.550 0.001 0.000 0.272 117 Y C 0.554 175.816 175.900 -1.064 0.000 1.169 117 Y CA -0.592 56.738 58.100 -1.283 0.000 1.285 117 Y CB -0.190 37.248 38.460 -1.703 0.000 1.078 117 Y HN -0.061 nan 8.280 nan 0.000 0.523 118 E N -0.166 119.787 120.200 -0.413 0.000 2.360 118 E HA 0.031 4.382 4.350 0.001 0.000 0.269 118 E C -0.673 175.858 176.600 -0.114 0.000 1.022 118 E CA -0.051 56.177 56.400 -0.286 0.000 0.887 118 E CB 0.214 29.832 29.700 -0.137 0.000 0.990 118 E HN 0.277 nan 8.360 nan 0.000 0.426 119 Y N -0.771 119.535 120.300 0.010 0.000 4.569 119 Y HA -0.264 4.286 4.550 0.001 0.000 0.237 119 Y C -0.294 175.624 175.900 0.029 0.000 1.090 119 Y CA 0.194 58.312 58.100 0.030 0.000 2.052 119 Y CB -2.602 35.874 38.460 0.027 0.000 1.621 119 Y HN 0.552 nan 8.280 nan 0.000 0.682 120 Y N 0.965 121.123 120.300 -0.237 0.000 2.578 120 Y HA 0.339 4.890 4.550 0.001 0.000 0.339 120 Y C 1.212 177.046 175.900 -0.110 0.000 1.231 120 Y CA -0.094 57.727 58.100 -0.464 0.000 1.461 120 Y CB 0.754 38.993 38.460 -0.369 0.000 1.323 120 Y HN 0.244 nan 8.280 nan 0.000 0.590 121 S N 2.406 118.183 115.700 0.128 0.000 2.900 121 S HA 0.573 5.044 4.470 0.001 0.000 0.320 121 S C -0.126 174.597 174.600 0.206 0.000 1.130 121 S CA -1.058 57.277 58.200 0.225 0.000 0.863 121 S CB 1.179 64.507 63.200 0.215 0.000 1.295 121 S HN 0.597 nan 8.310 nan 0.000 0.596 125 H N -0.067 118.857 119.070 -0.244 0.000 2.592 125 H HA 0.385 4.941 4.556 0.001 0.000 0.265 125 H C 0.453 175.649 175.328 -0.220 0.000 0.955 125 H CA 0.269 56.085 56.048 -0.387 0.000 1.175 125 H CB 0.173 29.306 29.762 -1.048 0.000 1.433 125 H HN 0.292 nan 8.280 nan 0.000 0.537 126 c N 2.051 120.649 118.600 -0.004 0.000 2.792 126 c HA 0.211 4.781 4.570 0.001 0.000 0.306 126 c C 1.789 175.869 174.090 -0.017 0.000 1.462 126 c CA 0.017 56.343 56.329 -0.004 0.000 1.640 126 c CB -1.427 41.072 42.510 -0.018 0.000 2.434 126 c HN 0.674 nan 8.230 nan 0.000 0.538 127 T N -2.739 111.802 114.554 -0.021 0.000 3.010 127 T HA 0.043 4.394 4.350 0.001 0.000 0.252 127 T C 0.608 175.303 174.700 -0.009 0.000 1.047 127 T CA 0.315 62.404 62.100 -0.019 0.000 1.140 127 T CB -0.080 68.770 68.868 -0.031 0.000 0.885 127 T HN 0.609 nan 8.240 nan 0.000 0.464 128 E N 2.492 122.689 120.200 -0.005 0.000 2.570 128 E HA -0.009 4.341 4.350 0.001 0.000 0.274 128 E C -0.249 176.355 176.600 0.007 0.000 1.073 128 E CA 0.306 56.706 56.400 -0.000 0.000 1.005 128 E CB 0.301 30.002 29.700 0.003 0.000 1.008 128 E HN 0.625 nan 8.360 nan 0.000 0.460 129 E N 0.978 121.180 120.200 0.004 0.000 2.414 129 E HA 0.062 4.413 4.350 0.001 0.000 0.263 129 E C -0.535 176.075 176.600 0.016 0.000 1.000 129 E CA -0.037 56.369 56.400 0.010 0.000 0.914 129 E CB 0.298 30.000 29.700 0.003 0.000 0.948 129 E HN 0.159 nan 8.360 nan 0.000 0.444 130 S N 2.732 118.459 115.700 0.044 0.000 2.576 130 S HA 0.018 4.488 4.470 0.001 0.000 0.272 130 S C 0.360 174.945 174.600 -0.025 0.000 1.352 130 S CA -0.656 57.595 58.200 0.085 0.000 1.021 130 S CB 0.259 63.553 63.200 0.156 0.000 0.887 130 S HN 0.466 nan 8.310 nan 0.000 0.542 131 E N 1.189 121.266 120.200 -0.204 0.000 2.374 131 E HA 0.229 4.579 4.350 0.001 0.000 0.260 131 E C -0.388 176.122 176.600 -0.149 0.000 1.101 131 E CA -0.328 55.763 56.400 -0.516 0.000 0.907 131 E CB 0.465 29.182 29.700 -1.638 0.000 1.014 131 E HN 0.386 nan 8.360 nan 0.000 0.427 132 Q N 0.348 120.146 119.800 -0.005 0.000 2.309 132 Q HA 0.281 4.622 4.340 0.001 0.000 0.264 132 Q C -0.704 175.492 176.000 0.327 0.000 1.008 132 Q CA -0.428 55.493 55.803 0.197 0.000 0.853 132 Q CB 1.528 30.313 28.738 0.079 0.000 1.314 132 Q HN 0.558 nan 8.270 nan 0.000 0.448 133 c N 0.000 118.741 118.600 0.235 0.000 2.653 133 c HA 0.000 4.571 4.570 0.001 0.000 0.325 133 c CA 0.000 56.372 56.329 0.072 0.000 1.963 133 c CB 0.000 42.465 42.510 -0.075 0.000 2.134 133 c HN 0.000 nan 8.230 nan 0.000 0.568