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 2ij0_1_C DATA FIRST_RESID 1 DATA SEQUENCE GAVVSQHPSM VIVKSGTSVK IEcRSLTNIH TMFWYRQFPK QSLMLMATSH DATA SEQUENCE QFNAIYEQGV VKDKFLINHA SPTLSTLTVT SAHPEDSGFY VcSALAGSGS DATA SEQUENCE STDXTQYFGP GTQLTVL 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.655 174.900 -0.409 0.000 0.946 1 G CA 0.000 44.983 45.100 -0.195 0.000 0.502 2 A N -0.983 121.656 122.820 -0.301 0.000 2.451 2 A HA 0.042 4.362 4.320 -0.000 0.000 0.273 2 A C 0.174 177.579 177.584 -0.298 0.000 1.384 2 A CA 0.240 52.084 52.037 -0.321 0.000 0.719 2 A CB -1.471 17.290 19.000 -0.399 0.000 1.146 2 A HN 1.923 nan 8.150 nan 0.000 0.353 3 V N 4.008 123.828 119.914 -0.156 0.000 2.405 3 V HA 0.488 4.608 4.120 -0.000 0.000 0.264 3 V C 0.719 176.779 176.094 -0.057 0.000 1.048 3 V CA 0.581 62.830 62.300 -0.086 0.000 0.966 3 V CB 1.352 33.143 31.823 -0.053 0.000 1.015 3 V HN 1.740 nan 8.190 nan 0.000 0.477 4 V N 7.938 127.833 119.914 -0.032 0.000 2.350 4 V HA 0.606 4.726 4.120 -0.000 0.000 0.276 4 V C 0.331 176.421 176.094 -0.005 0.000 1.028 4 V CA 0.069 62.353 62.300 -0.026 0.000 0.860 4 V CB 1.601 33.400 31.823 -0.040 0.000 0.990 4 V HN 0.966 nan 8.190 nan 0.000 0.453 5 S N 5.774 121.473 115.700 -0.002 0.000 2.654 5 S HA 0.595 5.064 4.470 -0.000 0.000 0.283 5 S C -0.533 174.086 174.600 0.031 0.000 1.180 5 S CA -0.638 57.577 58.200 0.025 0.000 1.021 5 S CB 1.508 64.729 63.200 0.034 0.000 1.018 5 S HN 0.888 nan 8.310 nan 0.000 0.532 6 Q N 0.808 120.646 119.800 0.063 0.000 2.387 6 Q HA 0.433 4.773 4.340 -0.000 0.000 0.273 6 Q C -1.219 174.875 176.000 0.157 0.000 1.089 6 Q CA -0.638 55.223 55.803 0.096 0.000 0.824 6 Q CB 2.068 30.843 28.738 0.063 0.000 1.367 6 Q HN 0.729 nan 8.270 nan 0.000 0.443 7 H N 2.271 121.377 119.070 0.061 0.000 2.966 7 H HA 0.395 4.950 4.556 -0.000 0.000 0.347 7 H C -2.868 172.488 175.328 0.046 0.000 1.048 7 H CA -1.742 54.333 56.048 0.046 0.000 1.295 7 H CB 2.382 32.167 29.762 0.038 0.000 1.744 7 H HN 0.449 nan 8.280 nan 0.000 0.513 8 P HA 0.117 nan 4.420 nan 0.000 0.284 8 P C 0.581 177.796 177.300 -0.141 0.000 1.292 8 P CA -0.358 62.450 63.100 -0.487 0.000 0.800 8 P CB 1.265 32.693 31.700 -0.454 0.000 1.188 9 S N -0.536 115.124 115.700 -0.067 0.000 2.414 9 S HA 0.067 4.537 4.470 -0.000 0.000 0.227 9 S C 0.929 175.544 174.600 0.026 0.000 1.022 9 S CA 0.498 58.704 58.200 0.010 0.000 0.958 9 S CB -0.529 62.702 63.200 0.052 0.000 0.797 9 S HN 0.647 nan 8.310 nan 0.000 0.493 10 M N 0.154 119.756 119.600 0.003 0.000 2.465 10 M HA 0.698 5.178 4.480 -0.000 0.000 0.284 10 M C -2.294 174.002 176.300 -0.006 0.000 1.212 10 M CA -0.742 54.574 55.300 0.027 0.000 0.910 10 M CB 2.482 35.122 32.600 0.066 0.000 1.725 10 M HN -0.033 nan 8.290 nan 0.000 0.477 11 V N 5.349 125.265 119.914 0.003 0.000 2.733 11 V HA 0.679 4.798 4.120 -0.000 0.000 0.306 11 V C -1.734 174.367 176.094 0.011 0.000 1.084 11 V CA -0.460 61.832 62.300 -0.013 0.000 0.905 11 V CB 2.257 34.050 31.823 -0.049 0.000 1.010 11 V HN 0.926 nan 8.190 nan 0.000 0.424 12 I N 7.277 127.854 120.570 0.012 0.000 2.406 12 I HA 0.725 4.895 4.170 -0.000 0.000 0.290 12 I C -0.246 175.878 176.117 0.012 0.000 0.999 12 I CA -0.779 60.535 61.300 0.023 0.000 1.124 12 I CB 1.856 39.874 38.000 0.030 0.000 1.289 12 I HN 0.635 nan 8.210 nan 0.000 0.441 13 V N 2.705 122.627 119.914 0.014 0.000 3.156 13 V HA 0.630 4.750 4.120 -0.000 0.000 0.310 13 V C -0.811 175.293 176.094 0.016 0.000 1.234 13 V CA -1.002 61.301 62.300 0.006 0.000 1.065 13 V CB 2.185 34.001 31.823 -0.012 0.000 1.088 13 V HN 0.621 nan 8.190 nan 0.000 0.451 14 K N 0.602 121.010 120.400 0.012 0.000 2.123 14 K HA 0.620 4.939 4.320 -0.000 0.000 0.259 14 K C 0.005 176.623 176.600 0.030 0.000 0.960 14 K CA -0.443 55.856 56.287 0.021 0.000 0.872 14 K CB 1.738 34.247 32.500 0.015 0.000 1.079 14 K HN 0.826 nan 8.250 nan 0.000 0.440 15 S N 0.616 116.346 115.700 0.051 0.000 2.573 15 S HA 0.083 4.552 4.470 -0.000 0.000 0.297 15 S C 1.204 175.855 174.600 0.085 0.000 1.280 15 S CA 1.386 59.642 58.200 0.094 0.000 1.061 15 S CB 0.226 63.479 63.200 0.089 0.000 0.812 15 S HN 0.925 nan 8.310 nan 0.000 0.500 16 G N 2.228 111.102 108.800 0.122 0.000 2.179 16 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 16 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 16 G C 0.334 175.228 174.900 -0.010 0.000 0.977 16 G CA 0.472 45.616 45.100 0.073 0.000 0.641 16 G HN 0.856 nan 8.290 nan 0.000 0.533 17 T N 0.668 115.209 114.554 -0.023 0.000 2.816 17 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 17 T C 0.831 175.480 174.700 -0.084 0.000 0.993 17 T CA 0.786 62.860 62.100 -0.043 0.000 0.994 17 T CB 0.768 69.619 68.868 -0.029 0.000 1.025 17 T HN 1.189 nan 8.240 nan 0.000 0.529 18 S N 0.903 116.552 115.700 -0.086 0.000 2.532 18 S HA 0.758 5.227 4.470 -0.000 0.000 0.301 18 S C -1.130 173.405 174.600 -0.107 0.000 1.083 18 S CA -0.761 57.369 58.200 -0.117 0.000 1.025 18 S CB 1.640 64.766 63.200 -0.122 0.000 1.056 18 S HN 0.492 nan 8.310 nan 0.000 0.494 19 V N 2.003 121.834 119.914 -0.138 0.000 2.482 19 V HA 0.488 4.607 4.120 -0.000 0.000 0.295 19 V C -0.309 175.694 176.094 -0.151 0.000 1.026 19 V CA -0.702 61.520 62.300 -0.130 0.000 0.856 19 V CB 1.640 33.379 31.823 -0.140 0.000 1.001 19 V HN 0.968 nan 8.190 nan 0.000 0.424 20 K N 4.553 124.887 120.400 -0.110 0.000 2.211 20 K HA 0.716 5.036 4.320 -0.000 0.000 0.275 20 K C -1.211 175.336 176.600 -0.089 0.000 1.024 20 K CA -0.482 55.745 56.287 -0.099 0.000 0.887 20 K CB 1.103 33.575 32.500 -0.046 0.000 1.084 20 K HN 0.615 nan 8.250 nan 0.000 0.463 21 I N 3.377 123.877 120.570 -0.117 0.000 2.465 21 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 21 I C -0.299 175.879 176.117 0.101 0.000 1.014 21 I CA -0.641 60.636 61.300 -0.039 0.000 1.093 21 I CB 2.045 39.975 38.000 -0.116 0.000 1.267 21 I HN 0.553 nan 8.210 nan 0.000 0.431 22 E N 4.115 124.447 120.200 0.220 0.000 2.214 22 E HA 0.439 4.788 4.350 -0.000 0.000 0.274 22 E C -1.413 175.370 176.600 0.306 0.000 0.977 22 E CA -0.671 55.886 56.400 0.261 0.000 0.827 22 E CB 2.575 32.399 29.700 0.207 0.000 1.130 22 E HN 0.472 nan 8.360 nan 0.000 0.394 23 c N 3.516 122.255 118.600 0.232 0.000 2.383 23 c HA 0.419 4.989 4.570 -0.000 0.000 0.330 23 c C -0.813 173.273 174.090 -0.007 0.000 1.168 23 c CA -0.578 55.775 56.329 0.039 0.000 1.374 23 c CB -0.275 42.140 42.510 -0.158 0.000 2.014 23 c HN 0.629 nan 8.230 nan 0.000 0.439 24 R N 3.352 123.847 120.500 -0.009 0.000 2.664 24 R HA 0.705 5.045 4.340 -0.000 0.000 0.286 24 R C -0.656 175.626 176.300 -0.029 0.000 0.967 24 R CA -0.256 55.838 56.100 -0.011 0.000 0.933 24 R CB 2.045 32.345 30.300 0.001 0.000 1.146 24 R HN 0.703 nan 8.270 nan 0.000 0.468 25 S N 1.347 117.033 115.700 -0.023 0.000 2.541 25 S HA 0.229 4.699 4.470 -0.000 0.000 0.280 25 S C 0.619 175.208 174.600 -0.018 0.000 1.112 25 S CA -0.694 57.490 58.200 -0.027 0.000 0.925 25 S CB 0.880 64.063 63.200 -0.029 0.000 1.067 25 S HN 0.455 nan 8.310 nan 0.000 0.479 26 L N 3.387 124.594 121.223 -0.026 0.000 2.622 26 L HA 0.293 4.632 4.340 -0.000 0.000 0.233 26 L C 1.279 178.140 176.870 -0.016 0.000 1.156 26 L CA 1.229 56.057 54.840 -0.020 0.000 0.866 26 L CB -1.935 40.109 42.059 -0.025 0.000 0.980 26 L HN 0.778 nan 8.230 nan 0.000 0.448 27 T N -6.622 107.940 114.554 0.013 0.000 3.172 27 T HA 0.227 4.577 4.350 -0.000 0.000 0.261 27 T C 1.128 175.849 174.700 0.034 0.000 0.854 27 T CA -0.273 61.838 62.100 0.018 0.000 0.848 27 T CB 0.132 69.007 68.868 0.012 0.000 1.267 27 T HN 0.189 nan 8.240 nan 0.000 0.581 28 N N 1.239 119.968 118.700 0.047 0.000 1.828 28 N HA 0.562 5.301 4.740 -0.000 0.000 0.179 28 N C -0.200 175.365 175.510 0.091 0.000 1.289 28 N CA -0.339 52.755 53.050 0.073 0.000 1.010 28 N CB 0.396 38.936 38.487 0.088 0.000 1.248 28 N HN 0.215 nan 8.380 nan 0.000 0.352 29 I N 1.260 121.902 120.570 0.119 0.000 8.102 29 I HA -0.241 3.929 4.170 -0.000 0.000 0.126 29 I C 0.404 176.596 176.117 0.125 0.000 1.850 29 I CA 0.186 61.541 61.300 0.092 0.000 2.038 29 I CB -0.393 37.644 38.000 0.061 0.000 3.769 29 I HN 0.713 nan 8.210 nan 0.000 0.169 30 H N 1.941 121.059 119.070 0.081 0.000 2.595 30 H HA 0.341 4.897 4.556 -0.000 0.000 0.265 30 H C 0.273 175.652 175.328 0.085 0.000 0.953 30 H CA 0.584 56.678 56.048 0.076 0.000 1.197 30 H CB 0.470 30.278 29.762 0.076 0.000 1.438 30 H HN 0.428 nan 8.280 nan 0.000 0.531 31 T N 1.350 115.724 114.554 -0.300 0.000 3.011 31 T HA 0.389 4.739 4.350 -0.000 0.000 0.303 31 T C -0.713 173.766 174.700 -0.369 0.000 0.997 31 T CA -0.651 61.224 62.100 -0.375 0.000 1.007 31 T CB 2.000 70.525 68.868 -0.572 0.000 1.017 31 T HN 0.160 nan 8.240 nan 0.000 0.443 32 M N 3.172 122.558 119.600 -0.356 0.000 2.364 32 M HA 0.589 5.069 4.480 -0.000 0.000 0.334 32 M C -1.358 174.600 176.300 -0.569 0.000 1.107 32 M CA -0.643 54.417 55.300 -0.401 0.000 0.988 32 M CB 1.414 33.754 32.600 -0.433 0.000 1.673 32 M HN 0.512 nan 8.290 nan 0.000 0.441 33 F N 0.823 120.554 119.950 -0.365 0.000 2.480 33 F HA 0.467 4.994 4.527 -0.000 0.000 0.329 33 F C -0.910 174.649 175.800 -0.402 0.000 1.091 33 F CA -0.341 57.464 58.000 -0.324 0.000 0.972 33 F CB 1.262 40.116 39.000 -0.243 0.000 1.150 33 F HN 0.508 nan 8.300 nan 0.000 0.467 34 W N 2.685 123.942 121.300 -0.071 0.000 2.520 34 W HA 0.601 5.260 4.660 -0.000 0.000 0.323 34 W C -1.233 175.200 176.519 -0.143 0.000 1.062 34 W CA -0.578 56.747 57.345 -0.032 0.000 1.215 34 W CB 1.201 30.633 29.460 -0.047 0.000 1.340 34 W HN 0.338 nan 8.180 nan 0.000 0.516 35 Y N 1.460 121.917 120.300 0.262 0.000 2.536 35 Y HA 0.595 5.145 4.550 -0.000 0.000 0.347 35 Y C -0.053 175.855 175.900 0.012 0.000 1.000 35 Y CA -1.484 56.683 58.100 0.111 0.000 1.051 35 Y CB 2.372 40.901 38.460 0.114 0.000 1.259 35 Y HN 0.271 nan 8.280 nan 0.000 0.468 36 R N 1.672 122.159 120.500 -0.022 0.000 2.686 36 R HA 0.465 4.805 4.340 -0.000 0.000 0.283 36 R C -1.732 174.363 176.300 -0.343 0.000 0.978 36 R CA -0.748 55.078 56.100 -0.456 0.000 0.897 36 R CB 1.853 31.745 30.300 -0.681 0.000 1.192 36 R HN 0.809 nan 8.270 nan 0.000 0.457 37 Q N 4.060 123.622 119.800 -0.398 0.000 2.303 37 Q HA 0.296 4.636 4.340 -0.000 0.000 0.267 37 Q C -1.510 174.347 176.000 -0.238 0.000 1.011 37 Q CA -0.622 55.057 55.803 -0.207 0.000 0.740 37 Q CB 0.949 29.684 28.738 -0.004 0.000 1.250 37 Q HN 0.427 nan 8.270 nan 0.000 0.458 38 F N 3.642 123.583 119.950 -0.015 0.000 2.382 38 F HA 0.385 4.912 4.527 -0.000 0.000 0.331 38 F C -1.715 174.096 175.800 0.017 0.000 1.121 38 F CA -2.149 55.857 58.000 0.011 0.000 1.183 38 F CB 0.210 39.221 39.000 0.019 0.000 1.207 38 F HN 0.465 nan 8.300 nan 0.000 0.555 39 P HA 0.028 nan 4.420 nan 0.000 0.261 39 P C -0.486 176.876 177.300 0.104 0.000 1.183 39 P CA 0.597 63.777 63.100 0.134 0.000 0.761 39 P CB 0.232 32.002 31.700 0.117 0.000 0.785 40 K N -0.559 119.877 120.400 0.060 0.000 3.509 40 K HA -0.200 4.120 4.320 -0.000 0.000 0.302 40 K C 0.198 176.825 176.600 0.045 0.000 1.355 40 K CA 0.776 57.087 56.287 0.039 0.000 0.953 40 K CB -1.504 31.016 32.500 0.033 0.000 1.321 40 K HN 0.562 nan 8.250 nan 0.000 0.461 41 Q N -0.200 119.640 119.800 0.067 0.000 2.552 41 Q HA 0.485 4.825 4.340 -0.000 0.000 0.289 41 Q C -0.621 175.406 176.000 0.045 0.000 1.097 41 Q CA -0.884 54.965 55.803 0.075 0.000 0.812 41 Q CB 2.079 30.906 28.738 0.149 0.000 1.460 41 Q HN 0.064 nan 8.270 nan 0.000 0.452 42 S N 0.871 116.597 115.700 0.043 0.000 2.568 42 S HA 0.086 4.556 4.470 -0.000 0.000 0.282 42 S C -0.461 174.152 174.600 0.023 0.000 1.338 42 S CA -0.384 57.830 58.200 0.024 0.000 1.045 42 S CB 0.214 63.433 63.200 0.032 0.000 0.873 42 S HN 0.366 nan 8.310 nan 0.000 0.516 43 L N 4.395 125.622 121.223 0.006 0.000 2.515 43 L HA 0.301 4.641 4.340 -0.000 0.000 0.281 43 L C -0.414 176.541 176.870 0.141 0.000 1.131 43 L CA 0.838 55.699 54.840 0.034 0.000 0.905 43 L CB -0.820 41.215 42.059 -0.040 0.000 1.246 43 L HN 0.585 nan 8.230 nan 0.000 0.463 44 M N 4.071 123.761 119.600 0.149 0.000 2.478 44 M HA 0.337 4.817 4.480 -0.000 0.000 0.327 44 M C -0.668 175.727 176.300 0.158 0.000 1.187 44 M CA -0.934 54.461 55.300 0.160 0.000 1.022 44 M CB 1.806 34.441 32.600 0.058 0.000 1.629 44 M HN 0.458 nan 8.290 nan 0.000 0.461 45 L N 3.390 124.599 121.223 -0.023 0.000 2.367 45 L HA 0.238 4.578 4.340 -0.000 0.000 0.275 45 L C 0.447 177.204 176.870 -0.188 0.000 1.129 45 L CA 0.535 55.142 54.840 -0.388 0.000 0.839 45 L CB 0.728 42.558 42.059 -0.382 0.000 1.133 45 L HN 0.899 nan 8.230 nan 0.000 0.453 46 M N 3.420 122.903 119.600 -0.194 0.000 2.470 46 M HA 0.663 5.143 4.480 -0.000 0.000 0.262 46 M C 0.165 176.427 176.300 -0.062 0.000 1.211 46 M CA 0.119 55.360 55.300 -0.098 0.000 1.125 46 M CB 0.583 33.090 32.600 -0.155 0.000 1.480 46 M HN 0.508 nan 8.290 nan 0.000 0.541 47 A N 0.976 123.721 122.820 -0.126 0.000 2.566 47 A HA 0.622 4.942 4.320 -0.000 0.000 0.297 47 A C -0.829 176.634 177.584 -0.202 0.000 1.059 47 A CA -0.421 51.471 52.037 -0.241 0.000 0.691 47 A CB 1.349 20.062 19.000 -0.478 0.000 1.282 47 A HN 0.259 nan 8.150 nan 0.000 0.401 48 T N -0.170 114.216 114.554 -0.280 0.000 2.797 48 T HA 0.641 4.991 4.350 -0.000 0.000 0.279 48 T C -0.368 173.990 174.700 -0.570 0.000 0.991 48 T CA -0.049 61.772 62.100 -0.466 0.000 0.979 48 T CB 1.095 69.705 68.868 -0.430 0.000 0.943 48 T HN 1.444 nan 8.240 nan 0.000 0.444 49 S N 3.817 119.173 115.700 -0.573 0.000 2.520 49 S HA 0.403 4.873 4.470 -0.000 0.000 0.324 49 S C -0.923 173.499 174.600 -0.297 0.000 1.069 49 S CA -0.692 57.330 58.200 -0.296 0.000 1.121 49 S CB -0.221 62.980 63.200 0.002 0.000 0.971 49 S HN 0.865 nan 8.310 nan 0.000 0.463 50 H N 2.673 121.726 119.070 -0.028 0.000 2.562 50 H HA 0.251 4.807 4.556 -0.000 0.000 0.314 50 H C 0.435 175.828 175.328 0.109 0.000 1.079 50 H CA -0.524 55.544 56.048 0.033 0.000 1.349 50 H CB 0.750 30.508 29.762 -0.007 0.000 1.432 50 H HN 0.468 nan 8.280 nan 0.000 0.479 51 Q N 4.854 124.670 119.800 0.028 0.000 2.828 51 Q HA 0.014 4.353 4.340 -0.000 0.000 0.234 51 Q C -0.973 174.973 176.000 -0.089 0.000 1.348 51 Q CA 0.267 55.879 55.803 -0.320 0.000 0.878 51 Q CB -1.055 27.404 28.738 -0.464 0.000 1.721 51 Q HN 0.597 nan 8.270 nan 0.000 0.550 52 F N -1.359 118.583 119.950 -0.014 0.000 2.183 52 F HA -0.276 4.251 4.527 -0.000 0.000 0.318 52 F C 0.538 176.356 175.800 0.030 0.000 1.273 52 F CA -0.234 57.780 58.000 0.023 0.000 0.912 52 F CB -0.723 38.313 39.000 0.060 0.000 4.135 52 F HN 0.362 nan 8.300 nan 0.000 0.137 53 N N 0.968 119.817 118.700 0.248 0.000 2.508 53 N HA 0.505 5.245 4.740 -0.000 0.000 0.264 53 N C 0.042 175.631 175.510 0.131 0.000 1.216 53 N CA 0.334 53.488 53.050 0.174 0.000 0.943 53 N CB 1.167 39.756 38.487 0.170 0.000 1.113 53 N HN 0.837 nan 8.380 nan 0.000 0.447 54 A N 1.701 124.541 122.820 0.033 0.000 2.483 54 A HA 0.165 4.484 4.320 -0.000 0.000 0.238 54 A C 0.329 177.758 177.584 -0.257 0.000 1.070 54 A CA -0.089 51.833 52.037 -0.192 0.000 0.770 54 A CB -0.046 18.723 19.000 -0.385 0.000 1.008 54 A HN 0.700 nan 8.150 nan 0.000 0.497 55 I N 0.978 121.370 120.570 -0.296 0.000 2.354 55 I HA 0.597 4.767 4.170 -0.000 0.000 0.292 55 I C -1.326 174.648 176.117 -0.240 0.000 0.989 55 I CA -0.356 60.858 61.300 -0.142 0.000 1.188 55 I CB 0.729 38.705 38.000 -0.039 0.000 1.342 55 I HN 0.501 nan 8.210 nan 0.000 0.457 56 Y N 5.810 126.119 120.300 0.015 0.000 2.342 56 Y HA 0.481 5.031 4.550 -0.000 0.000 0.334 56 Y C 0.557 176.462 175.900 0.008 0.000 1.067 56 Y CA -0.569 57.537 58.100 0.011 0.000 1.128 56 Y CB 0.990 39.468 38.460 0.029 0.000 1.200 56 Y HN 0.499 nan 8.280 nan 0.000 0.464 57 E N 1.609 121.885 120.200 0.127 0.000 2.409 57 E HA -0.023 4.326 4.350 -0.000 0.000 0.257 57 E C -0.406 176.252 176.600 0.097 0.000 1.150 57 E CA -0.381 56.068 56.400 0.080 0.000 0.942 57 E CB 0.469 30.187 29.700 0.030 0.000 0.979 57 E HN 0.640 nan 8.360 nan 0.000 0.447 58 Q N -0.574 119.269 119.800 0.071 0.000 2.333 58 Q HA 0.090 4.430 4.340 -0.000 0.000 0.299 58 Q C 0.853 176.897 176.000 0.074 0.000 1.067 58 Q CA 1.382 57.225 55.803 0.067 0.000 0.943 58 Q CB 0.089 28.859 28.738 0.054 0.000 1.233 58 Q HN 0.771 nan 8.270 nan 0.000 0.401 59 G N 1.655 110.501 108.800 0.077 0.000 2.225 59 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 59 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 59 G C -0.285 174.683 174.900 0.113 0.000 0.988 59 G CA 0.087 45.242 45.100 0.091 0.000 0.625 59 G HN 0.576 nan 8.290 nan 0.000 0.527 60 V N 1.743 121.720 119.914 0.105 0.000 2.357 60 V HA 0.665 4.785 4.120 -0.000 0.000 0.284 60 V C 0.559 176.680 176.094 0.045 0.000 1.018 60 V CA -0.318 62.056 62.300 0.124 0.000 0.841 60 V CB 1.547 33.435 31.823 0.108 0.000 0.991 60 V HN 1.116 nan 8.190 nan 0.000 0.437 61 V N 3.875 123.815 119.914 0.043 0.000 2.547 61 V HA 0.503 4.623 4.120 -0.000 0.000 0.299 61 V C 1.294 177.151 176.094 -0.396 0.000 1.040 61 V CA -0.405 61.784 62.300 -0.185 0.000 0.913 61 V CB 1.625 33.395 31.823 -0.089 0.000 0.992 61 V HN 0.892 nan 8.190 nan 0.000 0.449 62 K N 2.068 122.039 120.400 -0.715 0.000 2.089 62 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 62 K C 1.153 177.607 176.600 -0.243 0.000 1.048 62 K CA 2.387 58.280 56.287 -0.657 0.000 0.926 62 K CB -0.497 31.788 32.500 -0.359 0.000 0.714 62 K HN 0.786 nan 8.250 nan 0.000 0.448 63 D N 1.148 121.437 120.400 -0.185 0.000 2.097 63 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 63 D C 1.945 178.129 176.300 -0.193 0.000 0.989 63 D CA 1.069 54.984 54.000 -0.141 0.000 0.827 63 D CB -0.063 40.671 40.800 -0.110 0.000 0.966 63 D HN 0.298 nan 8.370 nan 0.000 0.456 64 K N -0.252 120.004 120.400 -0.240 0.000 2.288 64 K HA -0.051 4.269 4.320 -0.000 0.000 0.201 64 K C -0.060 176.063 176.600 -0.796 0.000 1.048 64 K CA 0.508 56.509 56.287 -0.477 0.000 0.956 64 K CB 0.198 32.399 32.500 -0.498 0.000 0.746 64 K HN 0.047 nan 8.250 nan 0.000 0.461 65 F N 1.185 121.067 119.950 -0.114 0.000 2.686 65 F HA 0.310 4.837 4.527 -0.000 0.000 0.365 65 F C -0.541 175.243 175.800 -0.027 0.000 1.196 65 F CA -0.699 57.258 58.000 -0.072 0.000 1.198 65 F CB 0.624 39.637 39.000 0.021 0.000 1.454 65 F HN -0.270 nan 8.300 nan 0.000 0.539 66 L N 3.924 125.159 121.223 0.020 0.000 2.360 66 L HA 0.355 4.694 4.340 -0.000 0.000 0.276 66 L C -0.071 176.815 176.870 0.027 0.000 1.121 66 L CA -0.067 54.798 54.840 0.043 0.000 0.845 66 L CB 0.707 42.753 42.059 -0.021 0.000 1.143 66 L HN 0.419 nan 8.230 nan 0.000 0.452 67 I N 4.155 124.785 120.570 0.101 0.000 2.339 67 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 67 I C -0.270 175.891 176.117 0.072 0.000 0.994 67 I CA -0.309 61.007 61.300 0.027 0.000 1.191 67 I CB 1.089 39.096 38.000 0.012 0.000 1.343 67 I HN 0.577 nan 8.210 nan 0.000 0.458 68 N N 5.501 124.237 118.700 0.060 0.000 2.444 68 N HA 0.221 4.961 4.740 -0.000 0.000 0.262 68 N C -0.830 174.774 175.510 0.157 0.000 0.974 68 N CA -0.357 52.748 53.050 0.093 0.000 0.933 68 N CB 1.285 39.807 38.487 0.059 0.000 1.137 68 N HN 0.638 nan 8.380 nan 0.000 0.498 69 H N 1.420 120.525 119.070 0.058 0.000 2.423 69 H HA 0.362 4.918 4.556 -0.000 0.000 0.237 69 H C 0.547 175.897 175.328 0.035 0.000 1.391 69 H CA -0.488 55.594 56.048 0.057 0.000 1.453 69 H CB 0.537 30.332 29.762 0.054 0.000 1.484 69 H HN 0.689 nan 8.280 nan 0.000 0.505 70 A N 2.550 125.480 122.820 0.184 0.000 1.826 70 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 70 A C 1.174 178.791 177.584 0.055 0.000 1.212 70 A CA 1.065 53.146 52.037 0.075 0.000 0.605 70 A CB -0.409 18.625 19.000 0.056 0.000 0.861 70 A HN 0.586 nan 8.150 nan 0.000 0.447 71 S N -0.961 114.809 115.700 0.117 0.000 2.693 71 S HA 0.478 4.948 4.470 -0.000 0.000 0.276 71 S C -1.925 172.794 174.600 0.199 0.000 1.192 71 S CA -0.860 57.398 58.200 0.097 0.000 0.994 71 S CB 1.239 64.481 63.200 0.069 0.000 1.012 71 S HN 0.272 nan 8.310 nan 0.000 0.550 72 P HA 0.092 nan 4.420 nan 0.000 0.240 72 P C 0.967 178.356 177.300 0.148 0.000 1.190 72 P CA 0.613 63.840 63.100 0.212 0.000 0.781 72 P CB -0.337 31.426 31.700 0.105 0.000 0.931 73 T N 0.081 114.691 114.554 0.093 0.000 2.812 73 T HA -0.023 4.327 4.350 -0.000 0.000 0.264 73 T C 0.697 175.414 174.700 0.029 0.000 1.042 73 T CA 0.884 63.011 62.100 0.046 0.000 1.140 73 T CB -0.261 68.627 68.868 0.033 0.000 0.870 73 T HN -0.007 nan 8.240 nan 0.000 0.445 74 L N 1.178 122.434 121.223 0.056 0.000 2.415 74 L HA 0.565 4.905 4.340 -0.000 0.000 0.268 74 L C -0.681 176.192 176.870 0.004 0.000 0.984 74 L CA -0.466 54.392 54.840 0.031 0.000 0.853 74 L CB 1.803 43.892 42.059 0.051 0.000 1.215 74 L HN -0.115 nan 8.230 nan 0.000 0.419 75 S N 2.408 118.054 115.700 -0.091 0.000 2.480 75 S HA 0.779 5.249 4.470 -0.000 0.000 0.286 75 S C -0.231 174.509 174.600 0.235 0.000 1.180 75 S CA -0.199 57.994 58.200 -0.012 0.000 1.075 75 S CB 0.526 63.682 63.200 -0.072 0.000 0.996 75 S HN 0.729 nan 8.310 nan 0.000 0.487 76 T N 3.197 117.849 114.554 0.163 0.000 2.812 76 T HA 0.604 4.954 4.350 -0.000 0.000 0.282 76 T C -0.678 173.939 174.700 -0.138 0.000 0.990 76 T CA -0.825 61.324 62.100 0.081 0.000 0.960 76 T CB 1.125 70.014 68.868 0.036 0.000 0.948 76 T HN 0.448 nan 8.240 nan 0.000 0.438 77 L N 3.289 124.230 121.223 -0.471 0.000 2.282 77 L HA 0.720 5.060 4.340 -0.000 0.000 0.288 77 L C 0.075 176.725 176.870 -0.367 0.000 1.033 77 L CA 0.023 54.462 54.840 -0.668 0.000 0.807 77 L CB 1.760 42.964 42.059 -1.425 0.000 1.209 77 L HN 0.962 nan 8.230 nan 0.000 0.423 78 T N 4.899 119.313 114.554 -0.233 0.000 2.833 78 T HA 0.382 4.732 4.350 -0.000 0.000 0.297 78 T C -0.934 173.638 174.700 -0.214 0.000 1.015 78 T CA -0.529 61.454 62.100 -0.195 0.000 0.963 78 T CB 0.880 69.667 68.868 -0.135 0.000 0.955 78 T HN 0.588 nan 8.240 nan 0.000 0.449 79 V N 7.256 127.011 119.914 -0.265 0.000 2.408 79 V HA 0.651 4.771 4.120 -0.000 0.000 0.267 79 V C 0.461 176.346 176.094 -0.348 0.000 1.047 79 V CA 0.115 62.176 62.300 -0.399 0.000 0.937 79 V CB 0.485 32.088 31.823 -0.366 0.000 0.999 79 V HN 1.109 nan 8.190 nan 0.000 0.472 80 T N 2.569 116.889 114.554 -0.389 0.000 2.927 80 T HA 0.437 4.787 4.350 -0.000 0.000 0.281 80 T C 0.482 174.986 174.700 -0.326 0.000 0.998 80 T CA 0.138 62.067 62.100 -0.286 0.000 1.019 80 T CB 1.335 70.066 68.868 -0.229 0.000 1.061 80 T HN 1.624 nan 8.240 nan 0.000 0.518 81 S N 0.382 115.932 115.700 -0.251 0.000 3.447 81 S HA -0.151 4.319 4.470 -0.000 0.000 0.371 81 S C 0.493 174.782 174.600 -0.518 0.000 0.951 81 S CA 0.054 58.073 58.200 -0.301 0.000 1.269 81 S CB -1.921 61.104 63.200 -0.292 0.000 0.919 81 S HN 1.614 nan 8.310 nan 0.000 0.516 82 A N 3.933 126.578 122.820 -0.292 0.000 2.545 82 A HA 0.436 4.755 4.320 -0.000 0.000 0.253 82 A C 0.234 177.790 177.584 -0.047 0.000 1.074 82 A CA 0.383 52.296 52.037 -0.206 0.000 0.760 82 A CB 0.093 19.040 19.000 -0.089 0.000 1.005 82 A HN 0.694 nan 8.150 nan 0.000 0.506 83 H N 2.917 121.989 119.070 0.005 0.000 2.621 83 H HA 0.348 4.904 4.556 -0.000 0.000 0.360 83 H C -1.971 173.390 175.328 0.055 0.000 1.163 83 H CA -2.268 53.793 56.048 0.022 0.000 1.194 83 H CB 0.904 30.676 29.762 0.016 0.000 1.649 83 H HN 0.270 nan 8.280 nan 0.000 0.532 84 P HA -0.196 nan 4.420 nan 0.000 0.218 84 P C 1.012 178.399 177.300 0.145 0.000 1.150 84 P CA 1.437 64.613 63.100 0.127 0.000 0.841 84 P CB 0.497 32.244 31.700 0.078 0.000 0.784 85 E N -0.879 119.406 120.200 0.141 0.000 2.478 85 E HA -0.108 4.242 4.350 -0.000 0.000 0.198 85 E C 0.997 177.747 176.600 0.250 0.000 1.046 85 E CA 0.732 57.197 56.400 0.107 0.000 0.870 85 E CB -0.604 29.115 29.700 0.031 0.000 0.818 85 E HN 0.417 nan 8.360 nan 0.000 0.527 86 D N 0.241 120.838 120.400 0.329 0.000 2.323 86 D HA -0.009 4.631 4.640 -0.000 0.000 0.209 86 D C 0.176 176.798 176.300 0.536 0.000 0.973 86 D CA 0.208 54.504 54.000 0.492 0.000 0.874 86 D CB 0.085 41.074 40.800 0.315 0.000 0.930 86 D HN -0.115 nan 8.370 nan 0.000 0.521 87 S N 0.523 116.456 115.700 0.389 0.000 2.544 87 S HA 0.428 4.897 4.470 -0.000 0.000 0.290 87 S C 0.731 175.579 174.600 0.415 0.000 1.276 87 S CA 0.110 58.518 58.200 0.346 0.000 1.075 87 S CB 1.122 64.463 63.200 0.235 0.000 0.849 87 S HN 0.402 nan 8.310 nan 0.000 0.494 88 G N 1.567 110.600 108.800 0.387 0.000 2.428 88 G HA2 0.467 4.427 3.960 -0.000 0.000 0.305 88 G HA3 0.467 4.427 3.960 -0.000 0.000 0.305 88 G C -2.086 172.968 174.900 0.257 0.000 1.260 88 G CA -0.818 44.421 45.100 0.231 0.000 0.853 88 G HN 0.473 nan 8.290 nan 0.000 0.480 89 F N 0.810 120.687 119.950 -0.122 0.000 2.444 89 F HA 0.776 5.303 4.527 -0.000 0.000 0.342 89 F C -1.241 174.451 175.800 -0.180 0.000 1.121 89 F CA -1.118 56.869 58.000 -0.022 0.000 0.997 89 F CB 1.521 40.508 39.000 -0.021 0.000 1.130 89 F HN 0.329 nan 8.300 nan 0.000 0.454 90 Y N 5.233 125.334 120.300 -0.332 0.000 2.328 90 Y HA 0.599 5.148 4.550 -0.000 0.000 0.337 90 Y C -0.606 175.248 175.900 -0.076 0.000 0.966 90 Y CA -0.901 57.151 58.100 -0.080 0.000 1.136 90 Y CB 1.796 40.271 38.460 0.024 0.000 1.170 90 Y HN 0.390 nan 8.280 nan 0.000 0.470 91 V N 4.882 124.929 119.914 0.222 0.000 2.638 91 V HA 0.609 4.728 4.120 -0.000 0.000 0.306 91 V C -0.397 175.738 176.094 0.069 0.000 1.052 91 V CA -0.854 61.529 62.300 0.139 0.000 0.885 91 V CB 0.774 32.703 31.823 0.176 0.000 0.999 91 V HN 1.033 nan 8.190 nan 0.000 0.424 92 c N 4.554 122.958 118.600 -0.327 0.000 2.325 92 c HA 1.032 5.602 4.570 -0.000 0.000 0.370 92 c C 0.300 174.150 174.090 -0.400 0.000 1.217 92 c CA 0.129 56.023 56.329 -0.725 0.000 2.254 92 c CB 0.951 42.575 42.510 -1.477 0.000 2.282 92 c HN 1.327 nan 8.230 nan 0.000 0.564 93 S N 0.404 115.847 115.700 -0.429 0.000 2.570 93 S HA 0.854 5.324 4.470 -0.000 0.000 0.270 93 S C -0.979 173.495 174.600 -0.210 0.000 1.149 93 S CA 0.005 57.934 58.200 -0.451 0.000 0.837 93 S CB 1.274 63.853 63.200 -1.035 0.000 1.124 93 S HN 2.459 nan 8.310 nan 0.000 0.465 94 A N 1.122 123.876 122.820 -0.111 0.000 2.422 94 A HA 0.798 5.118 4.320 -0.000 0.000 0.302 94 A C -1.114 176.533 177.584 0.105 0.000 1.041 94 A CA -0.835 51.198 52.037 -0.007 0.000 0.708 94 A CB 0.944 19.932 19.000 -0.020 0.000 1.257 94 A HN 1.698 nan 8.150 nan 0.000 0.414 95 L N -0.449 120.805 121.223 0.051 0.000 2.333 95 L HA 1.083 5.423 4.340 -0.000 0.000 0.263 95 L C 0.111 176.981 176.870 -0.000 0.000 1.014 95 L CA -0.437 54.441 54.840 0.062 0.000 0.820 95 L CB 1.218 43.291 42.059 0.024 0.000 1.352 95 L HN 1.005 nan 8.230 nan 0.000 0.421 96 A N 0.284 123.188 122.820 0.141 0.000 3.540 96 A HA 0.962 5.282 4.320 -0.000 0.000 0.180 96 A C 0.199 178.018 177.584 0.393 0.000 1.231 96 A CA -0.297 51.886 52.037 0.243 0.000 0.873 96 A CB -0.061 19.051 19.000 0.187 0.000 1.548 96 A HN 1.112 nan 8.150 nan 0.000 0.570 97 G N -0.815 108.147 108.800 0.269 0.000 2.420 97 G HA2 0.475 4.435 3.960 -0.000 0.000 0.284 97 G HA3 0.475 4.435 3.960 -0.000 0.000 0.284 97 G C 0.256 175.225 174.900 0.115 0.000 1.177 97 G CA 0.565 45.753 45.100 0.147 0.000 0.841 97 G HN 0.526 nan 8.290 nan 0.000 0.527 98 S N 0.450 116.199 115.700 0.082 0.000 2.612 98 S HA 0.487 4.957 4.470 -0.000 0.000 0.193 98 S C 1.649 176.305 174.600 0.093 0.000 0.898 98 S CA 0.811 59.039 58.200 0.047 0.000 0.872 98 S CB -0.743 62.462 63.200 0.009 0.000 0.843 98 S HN 1.739 nan 8.310 nan 0.000 0.611 99 G N 0.786 109.630 108.800 0.074 0.000 2.622 99 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.272 99 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.272 99 G C 0.452 175.408 174.900 0.093 0.000 1.308 99 G CA 0.283 45.432 45.100 0.081 0.000 0.919 99 G HN 0.562 nan 8.290 nan 0.000 0.565 100 S N -2.256 113.503 115.700 0.097 0.000 5.084 100 S HA 0.505 4.974 4.470 -0.000 0.000 0.156 100 S C 0.349 175.023 174.600 0.125 0.000 1.073 100 S CA 1.399 59.669 58.200 0.116 0.000 1.336 100 S CB 0.091 63.334 63.200 0.072 0.000 1.919 100 S HN 2.249 nan 8.310 nan 0.000 0.624 101 S N 1.870 117.610 115.700 0.067 0.000 3.600 101 S HA -0.065 4.405 4.470 -0.000 0.000 0.695 101 S C 0.338 174.951 174.600 0.021 0.000 0.535 101 S CA 0.879 59.100 58.200 0.035 0.000 1.453 101 S CB -1.709 61.513 63.200 0.037 0.000 0.928 101 S HN 1.504 nan 8.310 nan 0.000 1.029 102 T N -1.223 113.332 114.554 0.001 0.000 7.879 102 T HA -0.328 4.022 4.350 -0.000 0.000 0.329 102 T C 0.125 174.819 174.700 -0.010 0.000 1.790 102 T CA 1.709 63.804 62.100 -0.008 0.000 2.688 102 T CB -1.438 67.429 68.868 -0.003 0.000 2.624 102 T HN 0.849 nan 8.240 nan 0.000 1.233 106 Q N 1.851 121.322 119.800 -0.548 0.000 2.325 106 Q HA 0.564 4.904 4.340 -0.000 0.000 0.270 106 Q C -1.647 174.062 176.000 -0.486 0.000 1.020 106 Q CA -0.745 54.766 55.803 -0.488 0.000 0.785 106 Q CB 1.147 29.671 28.738 -0.358 0.000 1.259 106 Q HN 0.720 nan 8.270 nan 0.000 0.452 107 Y N 2.829 123.062 120.300 -0.112 0.000 2.331 107 Y HA 0.382 4.932 4.550 -0.000 0.000 0.338 107 Y C -0.552 175.269 175.900 -0.131 0.000 0.976 107 Y CA -0.726 57.359 58.100 -0.025 0.000 1.137 107 Y CB 0.853 39.301 38.460 -0.019 0.000 1.172 107 Y HN 0.503 nan 8.280 nan 0.000 0.478 108 F N 1.460 121.442 119.950 0.054 0.000 2.375 108 F HA 0.516 5.043 4.527 -0.000 0.000 0.333 108 F C 1.158 176.951 175.800 -0.011 0.000 1.104 108 F CA -0.583 57.402 58.000 -0.024 0.000 1.149 108 F CB 0.942 39.897 39.000 -0.076 0.000 1.190 108 F HN 0.599 nan 8.300 nan 0.000 0.533 109 G N 1.883 110.740 108.800 0.094 0.000 2.667 109 G HA2 0.295 4.255 3.960 -0.000 0.000 0.250 109 G HA3 0.295 4.255 3.960 -0.000 0.000 0.250 109 G C -2.111 172.863 174.900 0.122 0.000 1.212 109 G CA -1.033 44.101 45.100 0.057 0.000 0.874 109 G HN 0.482 nan 8.290 nan 0.000 0.561 110 P HA 0.193 nan 4.420 nan 0.000 0.249 110 P C 0.880 178.295 177.300 0.192 0.000 1.229 110 P CA 0.842 64.025 63.100 0.139 0.000 0.788 110 P CB 0.137 31.903 31.700 0.109 0.000 1.072 111 G N 0.098 108.937 108.800 0.064 0.000 2.758 111 G HA2 0.033 3.992 3.960 -0.000 0.000 0.686 111 G HA3 0.033 3.992 3.960 -0.000 0.000 0.686 111 G C -0.506 174.143 174.900 -0.419 0.000 1.389 111 G CA -0.385 44.552 45.100 -0.272 0.000 0.845 111 G HN 0.451 nan 8.290 nan 0.000 0.572 112 T N -2.273 111.845 114.554 -0.727 0.000 2.921 112 T HA 0.630 4.979 4.350 -0.000 0.000 0.297 112 T C -0.421 174.096 174.700 -0.306 0.000 1.013 112 T CA -0.437 61.466 62.100 -0.329 0.000 0.990 112 T CB 2.199 71.017 68.868 -0.083 0.000 1.023 112 T HN 1.107 nan 8.240 nan 0.000 0.447 113 Q N 2.392 122.204 119.800 0.020 0.000 2.337 113 Q HA 0.547 4.887 4.340 -0.000 0.000 0.255 113 Q C -1.139 174.952 176.000 0.152 0.000 0.997 113 Q CA -0.693 55.242 55.803 0.220 0.000 0.925 113 Q CB 0.689 29.615 28.738 0.313 0.000 1.212 113 Q HN 0.739 nan 8.270 nan 0.000 0.436 114 L N 4.073 125.423 121.223 0.212 0.000 2.272 114 L HA 0.606 4.946 4.340 -0.000 0.000 0.289 114 L C -0.998 175.977 176.870 0.175 0.000 1.032 114 L CA 0.261 55.187 54.840 0.143 0.000 0.810 114 L CB 1.839 43.945 42.059 0.078 0.000 1.205 114 L HN 0.627 nan 8.230 nan 0.000 0.422 115 T N 4.786 119.410 114.554 0.116 0.000 2.779 115 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 115 T C -0.615 174.136 174.700 0.086 0.000 0.987 115 T CA -0.405 61.763 62.100 0.113 0.000 0.966 115 T CB 1.363 70.287 68.868 0.093 0.000 0.933 115 T HN 0.348 nan 8.240 nan 0.000 0.442 116 V N 5.457 125.431 119.914 0.100 0.000 2.370 116 V HA 0.439 4.559 4.120 -0.000 0.000 0.279 116 V C 0.242 176.380 176.094 0.073 0.000 1.029 116 V CA -0.786 61.562 62.300 0.079 0.000 0.870 116 V CB 0.775 32.656 31.823 0.096 0.000 0.984 116 V HN 0.730 nan 8.190 nan 0.000 0.451 117 L N 0.000 121.256 121.223 0.055 0.000 2.949 117 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 117 L CA 0.000 54.867 54.840 0.045 0.000 0.813 117 L CB 0.000 42.079 42.059 0.034 0.000 0.961 117 L HN 0.000 nan 8.230 nan 0.000 0.502