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 2g4h_1_A DATA FIRST_RESID 6 DATA SEQUENCE SQIRQNYSTE VEAAVNRLVN LYLRASYTYL SLGFYFDRDD VALEGVCHFF DATA SEQUENCE RELAEEKREG AERLLKMQNQ RGGRALFQDL QKPSQDEWGT TPDAMKAAIV DATA SEQUENCE LEKSLNQALL DLHALGSAQA DPHLCDFLES HFLDEEVKLI KKMGDHLTNI DATA SEQUENCE QRLVGSQAGL GEYLFERLTL 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.590 174.600 -0.017 0.000 1.055 6 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 6 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 7 Q N 1.805 121.592 119.800 -0.021 0.000 2.167 7 Q HA 0.041 4.380 4.340 -0.001 0.000 0.202 7 Q C 1.913 177.895 176.000 -0.030 0.000 0.970 7 Q CA 1.901 57.691 55.803 -0.022 0.000 0.855 7 Q CB -0.661 28.065 28.738 -0.020 0.000 0.911 7 Q HN 0.861 nan 8.270 nan 0.000 0.438 8 I N -2.216 118.329 120.570 -0.042 0.000 3.462 8 I HA 0.208 4.377 4.170 -0.001 0.000 0.290 8 I C 1.107 177.184 176.117 -0.067 0.000 1.236 8 I CA -0.585 60.680 61.300 -0.058 0.000 1.418 8 I CB 0.082 38.036 38.000 -0.077 0.000 1.102 8 I HN -0.078 nan 8.210 nan 0.000 0.441 9 R N 2.900 123.369 120.500 -0.052 0.000 2.484 9 R HA 0.148 4.488 4.340 -0.001 0.000 0.293 9 R C -0.492 175.797 176.300 -0.017 0.000 1.023 9 R CA 0.397 56.474 56.100 -0.039 0.000 1.037 9 R CB 0.345 30.649 30.300 0.006 0.000 0.951 9 R HN 0.518 nan 8.270 nan 0.000 0.418 10 Q N 3.704 123.495 119.800 -0.014 0.000 2.313 10 Q HA 0.072 4.411 4.340 -0.001 0.000 0.255 10 Q C -1.100 174.916 176.000 0.026 0.000 0.944 10 Q CA -0.539 55.262 55.803 -0.002 0.000 0.881 10 Q CB 1.174 29.896 28.738 -0.027 0.000 1.375 10 Q HN 0.812 nan 8.270 nan 0.000 0.422 11 N N 2.190 120.915 118.700 0.041 0.000 2.725 11 N HA -0.261 4.478 4.740 -0.001 0.000 0.249 11 N C -2.133 173.446 175.510 0.114 0.000 1.103 11 N CA 1.034 54.115 53.050 0.053 0.000 0.707 11 N CB -0.939 37.572 38.487 0.039 0.000 1.043 11 N HN 0.579 nan 8.380 nan 0.000 0.553 12 Y N 0.718 120.990 120.300 -0.046 0.000 2.555 12 Y HA 0.456 5.005 4.550 -0.001 0.000 0.326 12 Y C 0.120 175.992 175.900 -0.046 0.000 0.984 12 Y CA -0.742 57.327 58.100 -0.053 0.000 1.298 12 Y CB 0.283 38.700 38.460 -0.072 0.000 1.094 12 Y HN 0.225 nan 8.280 nan 0.000 0.500 13 S N 1.377 116.916 115.700 -0.267 0.000 2.585 13 S HA 0.057 4.526 4.470 -0.001 0.000 0.273 13 S C 1.365 175.779 174.600 -0.311 0.000 1.339 13 S CA 0.065 58.132 58.200 -0.221 0.000 1.028 13 S CB 1.163 64.262 63.200 -0.168 0.000 0.906 13 S HN 0.786 nan 8.310 nan 0.000 0.528 14 T N -0.429 114.017 114.554 -0.180 0.000 2.833 14 T HA -0.145 4.204 4.350 -0.001 0.000 0.269 14 T C 1.213 175.810 174.700 -0.171 0.000 1.054 14 T CA 1.528 63.535 62.100 -0.155 0.000 1.135 14 T CB -0.676 68.140 68.868 -0.088 0.000 0.869 14 T HN 0.696 nan 8.240 nan 0.000 0.466 15 E N 0.890 120.995 120.200 -0.159 0.000 2.072 15 E HA 0.017 4.366 4.350 -0.001 0.000 0.191 15 E C 2.405 178.902 176.600 -0.171 0.000 0.985 15 E CA 0.810 57.131 56.400 -0.132 0.000 0.801 15 E CB -0.590 29.051 29.700 -0.098 0.000 0.750 15 E HN 0.352 nan 8.360 nan 0.000 0.452 16 V N 1.110 120.868 119.914 -0.259 0.000 2.307 16 V HA -0.265 3.854 4.120 -0.001 0.000 0.245 16 V C 2.375 178.265 176.094 -0.340 0.000 1.045 16 V CA 2.048 64.166 62.300 -0.303 0.000 1.024 16 V CB -0.442 31.143 31.823 -0.396 0.000 0.651 16 V HN 0.330 nan 8.190 nan 0.000 0.449 17 E N 0.388 120.289 120.200 -0.498 0.000 2.070 17 E HA -0.289 4.060 4.350 -0.001 0.000 0.197 17 E C 2.198 178.722 176.600 -0.127 0.000 1.004 17 E CA 1.740 57.977 56.400 -0.272 0.000 0.805 17 E CB -0.237 29.344 29.700 -0.198 0.000 0.744 17 E HN 0.559 nan 8.360 nan 0.000 0.451 18 A N 1.121 123.865 122.820 -0.127 0.000 1.902 18 A HA -0.074 4.246 4.320 -0.001 0.000 0.217 18 A C 2.411 179.954 177.584 -0.068 0.000 1.181 18 A CA 1.896 53.883 52.037 -0.084 0.000 0.623 18 A CB -0.789 18.168 19.000 -0.072 0.000 0.818 18 A HN 0.437 nan 8.150 nan 0.000 0.443 19 A N -0.679 122.096 122.820 -0.074 0.000 1.969 19 A HA 0.046 4.365 4.320 -0.001 0.000 0.218 19 A C 2.205 179.766 177.584 -0.038 0.000 1.169 19 A CA 1.656 53.665 52.037 -0.047 0.000 0.635 19 A CB -0.792 18.178 19.000 -0.048 0.000 0.810 19 A HN 0.358 nan 8.150 nan 0.000 0.445 20 V N 0.967 120.849 119.914 -0.053 0.000 2.343 20 V HA -0.251 3.869 4.120 -0.001 0.000 0.247 20 V C 2.294 178.359 176.094 -0.048 0.000 1.051 20 V CA 2.075 64.350 62.300 -0.043 0.000 1.036 20 V CB -0.896 30.916 31.823 -0.018 0.000 0.654 20 V HN 0.554 nan 8.190 nan 0.000 0.451 21 N N 0.262 118.922 118.700 -0.067 0.000 2.149 21 N HA -0.155 4.584 4.740 -0.001 0.000 0.188 21 N C 1.967 177.452 175.510 -0.042 0.000 1.019 21 N CA 1.373 54.366 53.050 -0.095 0.000 0.857 21 N CB -0.325 38.088 38.487 -0.123 0.000 0.997 21 N HN 0.491 nan 8.380 nan 0.000 0.426 22 R N 0.178 120.667 120.500 -0.018 0.000 2.075 22 R HA -0.041 4.298 4.340 -0.001 0.000 0.232 22 R C 2.041 178.376 176.300 0.057 0.000 1.126 22 R CA 0.594 56.705 56.100 0.017 0.000 0.963 22 R CB -0.436 29.871 30.300 0.012 0.000 0.858 22 R HN 0.120 nan 8.270 nan 0.000 0.435 23 L N 0.819 122.076 121.223 0.057 0.000 2.093 23 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 23 L C 2.113 179.098 176.870 0.191 0.000 1.085 23 L CA 1.372 56.287 54.840 0.126 0.000 0.755 23 L CB -0.242 41.854 42.059 0.061 0.000 0.904 23 L HN -0.104 nan 8.230 nan 0.000 0.435 24 V N 0.210 120.183 119.914 0.098 0.000 2.282 24 V HA -0.363 3.757 4.120 -0.001 0.000 0.249 24 V C 2.511 178.726 176.094 0.201 0.000 1.057 24 V CA 2.194 64.576 62.300 0.135 0.000 1.032 24 V CB -0.941 30.914 31.823 0.053 0.000 0.645 24 V HN 0.649 nan 8.190 nan 0.000 0.447 25 N N 0.045 118.835 118.700 0.150 0.000 2.120 25 N HA -0.134 4.605 4.740 -0.001 0.000 0.188 25 N C 1.919 177.521 175.510 0.153 0.000 1.024 25 N CA 1.482 54.623 53.050 0.151 0.000 0.852 25 N CB -0.065 38.486 38.487 0.107 0.000 1.003 25 N HN 0.438 nan 8.380 nan 0.000 0.424 26 L N -0.177 121.138 121.223 0.153 0.000 2.017 26 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 26 L C 2.225 179.155 176.870 0.100 0.000 1.073 26 L CA 1.293 56.201 54.840 0.113 0.000 0.745 26 L CB -0.688 41.433 42.059 0.104 0.000 0.894 26 L HN 0.217 nan 8.230 nan 0.000 0.432 27 Y N -0.072 120.291 120.300 0.105 0.000 2.181 27 Y HA -0.240 4.309 4.550 -0.001 0.000 0.288 27 Y C 2.497 178.477 175.900 0.132 0.000 1.146 27 Y CA 1.243 59.424 58.100 0.136 0.000 1.164 27 Y CB -0.163 38.400 38.460 0.172 0.000 0.982 27 Y HN 0.056 nan 8.280 nan 0.000 0.515 28 L N -0.537 120.846 121.223 0.266 0.000 2.083 28 L HA -0.244 4.095 4.340 -0.001 0.000 0.209 28 L C 2.612 179.575 176.870 0.155 0.000 1.083 28 L CA 1.311 56.263 54.840 0.188 0.000 0.752 28 L CB -0.454 41.703 42.059 0.163 0.000 0.899 28 L HN 0.162 nan 8.230 nan 0.000 0.433 29 R N 0.166 120.750 120.500 0.140 0.000 2.092 29 R HA -0.135 4.204 4.340 -0.001 0.000 0.231 29 R C 2.334 178.679 176.300 0.075 0.000 1.119 29 R CA 1.259 57.443 56.100 0.140 0.000 0.970 29 R CB -0.140 30.221 30.300 0.102 0.000 0.864 29 R HN 0.337 nan 8.270 nan 0.000 0.440 30 A N -0.140 122.677 122.820 -0.005 0.000 1.898 30 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 30 A C 2.131 179.684 177.584 -0.052 0.000 1.181 30 A CA 1.791 53.742 52.037 -0.144 0.000 0.620 30 A CB -0.715 18.182 19.000 -0.173 0.000 0.819 30 A HN 0.423 nan 8.150 nan 0.000 0.442 31 S N -1.878 113.901 115.700 0.133 0.000 2.370 31 S HA -0.207 4.262 4.470 -0.001 0.000 0.226 31 S C 1.947 176.696 174.600 0.247 0.000 1.033 31 S CA 1.720 60.054 58.200 0.224 0.000 1.011 31 S CB -0.528 62.794 63.200 0.202 0.000 0.852 31 S HN 0.609 nan 8.310 nan 0.000 0.457 32 Y N 2.372 122.706 120.300 0.056 0.000 2.181 32 Y HA -0.049 4.500 4.550 -0.001 0.000 0.288 32 Y C 2.685 178.605 175.900 0.033 0.000 1.146 32 Y CA 1.754 59.889 58.100 0.059 0.000 1.164 32 Y CB -1.234 37.257 38.460 0.051 0.000 0.982 32 Y HN 0.273 nan 8.280 nan 0.000 0.515 33 T N -0.113 114.437 114.554 -0.008 0.000 2.684 33 T HA -0.226 4.123 4.350 -0.001 0.000 0.267 33 T C 1.625 176.144 174.700 -0.301 0.000 1.036 33 T CA 1.957 63.926 62.100 -0.219 0.000 1.148 33 T CB -0.596 68.055 68.868 -0.361 0.000 0.863 33 T HN 0.298 nan 8.240 nan 0.000 0.436 34 Y N 0.808 121.039 120.300 -0.115 0.000 2.293 34 Y HA 0.064 4.613 4.550 -0.001 0.000 0.291 34 Y C 2.119 178.014 175.900 -0.007 0.000 1.137 34 Y CA -0.244 57.783 58.100 -0.122 0.000 1.202 34 Y CB -0.928 37.523 38.460 -0.015 0.000 0.990 34 Y HN 0.107 nan 8.280 nan 0.000 0.537 35 L N -0.721 120.653 121.223 0.251 0.000 2.012 35 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 35 L C 2.622 179.696 176.870 0.339 0.000 1.073 35 L CA 2.239 57.273 54.840 0.323 0.000 0.748 35 L CB -1.164 41.124 42.059 0.382 0.000 0.891 35 L HN 0.190 nan 8.230 nan 0.000 0.431 36 S N -1.102 114.717 115.700 0.198 0.000 2.368 36 S HA -0.167 4.303 4.470 -0.001 0.000 0.225 36 S C 2.077 176.799 174.600 0.203 0.000 1.030 36 S CA 1.569 59.914 58.200 0.242 0.000 0.999 36 S CB -0.440 62.910 63.200 0.249 0.000 0.844 36 S HN 0.465 nan 8.310 nan 0.000 0.459 37 L N 0.884 121.967 121.223 -0.233 0.000 2.012 37 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 37 L C 2.825 179.812 176.870 0.196 0.000 1.073 37 L CA 1.412 55.958 54.840 -0.490 0.000 0.748 37 L CB -1.033 40.357 42.059 -1.115 0.000 0.891 37 L HN 0.500 nan 8.230 nan 0.000 0.431 38 G N -0.695 108.239 108.800 0.224 0.000 2.459 38 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 38 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 38 G C 1.397 176.357 174.900 0.099 0.000 1.183 38 G CA 0.688 45.920 45.100 0.220 0.000 0.776 38 G HN 0.242 nan 8.290 nan 0.000 0.552 39 F N -0.654 119.445 119.950 0.247 0.000 2.293 39 F HA 0.051 4.577 4.527 -0.001 0.000 0.300 39 F C 2.300 178.225 175.800 0.210 0.000 1.086 39 F CA 0.911 59.034 58.000 0.206 0.000 1.375 39 F CB -0.321 38.778 39.000 0.165 0.000 1.045 39 F HN 0.224 nan 8.300 nan 0.000 0.516 40 Y N -0.182 120.272 120.300 0.256 0.000 2.128 40 Y HA -0.294 4.255 4.550 -0.001 0.000 0.284 40 Y C 1.795 177.678 175.900 -0.029 0.000 1.154 40 Y CA 1.596 59.757 58.100 0.102 0.000 1.149 40 Y CB -0.865 37.671 38.460 0.126 0.000 0.976 40 Y HN 0.004 nan 8.280 nan 0.000 0.505 41 F N 0.113 120.135 119.950 0.121 0.000 2.699 41 F HA -0.011 4.515 4.527 -0.001 0.000 0.298 41 F C 1.864 177.654 175.800 -0.016 0.000 1.154 41 F CA 1.387 59.396 58.000 0.014 0.000 1.457 41 F CB -0.338 38.779 39.000 0.196 0.000 1.106 41 F HN 0.166 nan 8.300 nan 0.000 0.585 42 D N -0.194 120.278 120.400 0.120 0.000 2.349 42 D HA -0.009 4.630 4.640 -0.001 0.000 0.215 42 D C 0.743 177.082 176.300 0.065 0.000 1.016 42 D CA 0.091 54.143 54.000 0.086 0.000 0.870 42 D CB 0.168 41.009 40.800 0.069 0.000 0.917 42 D HN 0.019 nan 8.370 nan 0.000 0.524 43 R N 1.061 121.559 120.500 -0.004 0.000 2.640 43 R HA 0.003 4.343 4.340 -0.001 0.000 0.270 43 R C 1.429 177.714 176.300 -0.026 0.000 1.024 43 R CA 0.658 56.740 56.100 -0.029 0.000 1.085 43 R CB 0.445 30.665 30.300 -0.134 0.000 0.963 43 R HN 0.344 nan 8.270 nan 0.000 0.426 44 D N 2.170 122.570 120.400 0.001 0.000 2.218 44 D HA -0.190 4.449 4.640 -0.001 0.000 0.204 44 D C 0.424 176.719 176.300 -0.008 0.000 0.976 44 D CA 1.260 55.264 54.000 0.007 0.000 0.853 44 D CB 0.001 40.811 40.800 0.017 0.000 0.939 44 D HN 0.623 nan 8.370 nan 0.000 0.481 45 D N 0.279 120.660 120.400 -0.031 0.000 2.325 45 D HA 0.005 4.644 4.640 -0.001 0.000 0.225 45 D C 1.532 177.792 176.300 -0.067 0.000 1.096 45 D CA -0.154 53.825 54.000 -0.035 0.000 0.844 45 D CB 0.647 41.431 40.800 -0.027 0.000 0.925 45 D HN 0.273 nan 8.370 nan 0.000 0.513 46 V N -0.042 119.810 119.914 -0.103 0.000 3.278 46 V HA 0.412 4.532 4.120 -0.001 0.000 0.215 46 V C 0.920 177.022 176.094 0.014 0.000 1.287 46 V CA 0.270 62.494 62.300 -0.127 0.000 1.302 46 V CB -0.556 30.994 31.823 -0.454 0.000 1.228 46 V HN 0.309 nan 8.190 nan 0.000 0.523 47 A N 0.965 123.800 122.820 0.026 0.000 2.578 47 A HA -0.189 4.130 4.320 -0.001 0.000 0.298 47 A C -0.196 177.464 177.584 0.128 0.000 1.472 47 A CA 0.796 52.879 52.037 0.075 0.000 0.734 47 A CB -2.038 16.997 19.000 0.059 0.000 1.091 47 A HN 0.484 nan 8.150 nan 0.000 0.426 48 L N 0.202 121.535 121.223 0.184 0.000 2.408 48 L HA 0.306 4.645 4.340 -0.001 0.000 0.257 48 L C 1.358 178.291 176.870 0.105 0.000 1.053 48 L CA 0.021 54.958 54.840 0.162 0.000 0.922 48 L CB 1.126 43.329 42.059 0.240 0.000 1.261 48 L HN 0.697 nan 8.230 nan 0.000 0.458 49 E N 2.186 122.417 120.200 0.051 0.000 2.085 49 E HA -0.188 4.161 4.350 -0.001 0.000 0.194 49 E C 1.909 178.512 176.600 0.004 0.000 0.994 49 E CA 1.611 58.029 56.400 0.030 0.000 0.801 49 E CB 0.229 29.928 29.700 -0.001 0.000 0.743 49 E HN 0.831 nan 8.360 nan 0.000 0.453 50 G N 0.376 109.140 108.800 -0.060 0.000 2.442 50 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.219 50 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.219 50 G C 1.619 176.457 174.900 -0.104 0.000 1.141 50 G CA 1.056 46.094 45.100 -0.103 0.000 0.763 50 G HN 0.241 nan 8.290 nan 0.000 0.554 51 V N 0.298 120.121 119.914 -0.152 0.000 2.307 51 V HA -0.189 3.930 4.120 -0.001 0.000 0.245 51 V C 2.950 178.992 176.094 -0.087 0.000 1.045 51 V CA 1.511 63.630 62.300 -0.301 0.000 1.024 51 V CB -0.845 30.592 31.823 -0.643 0.000 0.651 51 V HN 0.593 nan 8.190 nan 0.000 0.449 52 C N 0.283 119.638 119.300 0.090 0.000 2.398 52 C HA -0.282 4.177 4.460 -0.001 0.000 0.276 52 C C 2.835 177.871 174.990 0.077 0.000 1.222 52 C CA 2.011 61.129 59.018 0.167 0.000 1.746 52 C CB -1.093 26.717 27.740 0.116 0.000 2.039 52 C HN 0.788 nan 8.230 nan 0.000 0.470 53 H N -1.196 117.854 119.070 -0.033 0.000 2.387 53 H HA -0.130 4.425 4.556 -0.001 0.000 0.299 53 H C 1.898 177.187 175.328 -0.066 0.000 1.090 53 H CA 2.343 58.359 56.048 -0.054 0.000 1.332 53 H CB -0.649 29.077 29.762 -0.060 0.000 1.386 53 H HN 0.593 nan 8.280 nan 0.000 0.516 54 F N -0.101 119.696 119.950 -0.256 0.000 2.095 54 F HA -0.203 4.323 4.527 -0.002 0.000 0.298 54 F C 1.647 177.161 175.800 -0.476 0.000 1.104 54 F CA 1.746 59.488 58.000 -0.430 0.000 1.232 54 F CB -0.646 37.993 39.000 -0.601 0.000 0.987 54 F HN 0.188 nan 8.300 nan 0.000 0.475 55 F N -0.057 119.791 119.950 -0.170 0.000 2.293 55 F HA -0.008 4.519 4.527 -0.001 0.000 0.297 55 F C 2.501 178.138 175.800 -0.271 0.000 1.089 55 F CA 0.655 58.485 58.000 -0.284 0.000 1.377 55 F CB -0.405 38.594 39.000 -0.003 0.000 1.051 55 F HN -0.236 nan 8.300 nan 0.000 0.511 56 R N 0.592 121.055 120.500 -0.060 0.000 2.096 56 R HA -0.155 4.185 4.340 -0.001 0.000 0.235 56 R C 1.928 178.107 176.300 -0.202 0.000 1.127 56 R CA 1.563 57.600 56.100 -0.105 0.000 0.968 56 R CB -0.456 29.758 30.300 -0.144 0.000 0.861 56 R HN 0.402 nan 8.270 nan 0.000 0.440 57 E N 0.649 120.618 120.200 -0.386 0.000 2.110 57 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 57 E C 2.058 178.461 176.600 -0.329 0.000 0.988 57 E CA 0.918 57.092 56.400 -0.376 0.000 0.804 57 E CB -0.069 29.348 29.700 -0.472 0.000 0.745 57 E HN 0.293 nan 8.360 nan 0.000 0.458 58 L N 0.539 121.473 121.223 -0.481 0.000 2.141 58 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 58 L C 2.577 179.322 176.870 -0.209 0.000 1.094 58 L CA 0.753 55.265 54.840 -0.547 0.000 0.763 58 L CB -0.452 40.880 42.059 -1.212 0.000 0.908 58 L HN 0.148 nan 8.230 nan 0.000 0.437 59 A N 0.174 122.967 122.820 -0.046 0.000 1.883 59 A HA -0.290 4.029 4.320 -0.001 0.000 0.217 59 A C 2.277 179.922 177.584 0.101 0.000 1.186 59 A CA 2.085 54.214 52.037 0.154 0.000 0.624 59 A CB -0.557 18.550 19.000 0.178 0.000 0.822 59 A HN 0.517 nan 8.150 nan 0.000 0.444 60 E N -0.499 119.714 120.200 0.023 0.000 2.051 60 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 60 E C 1.796 178.412 176.600 0.025 0.000 0.991 60 E CA 1.311 57.723 56.400 0.020 0.000 0.799 60 E CB -0.154 29.534 29.700 -0.020 0.000 0.748 60 E HN 0.519 nan 8.360 nan 0.000 0.449 61 E N 0.762 120.954 120.200 -0.014 0.000 2.085 61 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 61 E C 2.009 178.676 176.600 0.112 0.000 0.994 61 E CA 0.938 57.341 56.400 0.006 0.000 0.801 61 E CB -0.102 29.565 29.700 -0.056 0.000 0.743 61 E HN 0.200 nan 8.360 nan 0.000 0.453 62 K N 0.543 121.048 120.400 0.174 0.000 2.103 62 K HA -0.072 4.247 4.320 -0.001 0.000 0.204 62 K C 2.134 178.934 176.600 0.332 0.000 1.052 62 K CA 0.574 57.059 56.287 0.330 0.000 0.945 62 K CB -0.346 32.324 32.500 0.284 0.000 0.722 62 K HN 0.084 nan 8.250 nan 0.000 0.443 63 R N 1.621 122.248 120.500 0.211 0.000 2.081 63 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 63 R C 1.819 178.205 176.300 0.143 0.000 1.131 63 R CA 1.631 57.833 56.100 0.169 0.000 0.960 63 R CB 0.023 30.393 30.300 0.118 0.000 0.856 63 R HN 0.255 nan 8.270 nan 0.000 0.436 64 E N -0.984 119.280 120.200 0.107 0.000 2.110 64 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 64 E C 1.880 178.520 176.600 0.066 0.000 0.988 64 E CA 1.047 57.484 56.400 0.062 0.000 0.804 64 E CB -0.189 29.520 29.700 0.015 0.000 0.745 64 E HN 0.580 nan 8.360 nan 0.000 0.458 65 G N 1.298 110.165 108.800 0.111 0.000 2.446 65 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.217 65 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.217 65 G C 1.701 176.675 174.900 0.122 0.000 1.168 65 G CA 0.927 46.084 45.100 0.095 0.000 0.771 65 G HN 0.359 nan 8.290 nan 0.000 0.551 66 A N 0.862 123.779 122.820 0.161 0.000 1.908 66 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 66 A C 2.173 179.845 177.584 0.146 0.000 1.181 66 A CA 2.022 54.153 52.037 0.158 0.000 0.627 66 A CB -0.442 18.698 19.000 0.234 0.000 0.818 66 A HN 0.469 nan 8.150 nan 0.000 0.445 67 E N -0.963 119.318 120.200 0.136 0.000 2.110 67 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 67 E C 2.278 178.945 176.600 0.112 0.000 0.988 67 E CA 1.128 57.597 56.400 0.114 0.000 0.804 67 E CB -0.156 29.593 29.700 0.083 0.000 0.745 67 E HN 0.628 nan 8.360 nan 0.000 0.458 68 R N 0.830 121.412 120.500 0.137 0.000 2.092 68 R HA -0.118 4.222 4.340 -0.001 0.000 0.231 68 R C 2.190 178.679 176.300 0.315 0.000 1.119 68 R CA 0.872 57.091 56.100 0.198 0.000 0.970 68 R CB -0.098 30.290 30.300 0.146 0.000 0.864 68 R HN 0.151 nan 8.270 nan 0.000 0.440 69 L N 0.521 121.912 121.223 0.279 0.000 2.056 69 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 69 L C 2.377 179.251 176.870 0.007 0.000 1.078 69 L CA 1.053 55.967 54.840 0.124 0.000 0.749 69 L CB -0.303 41.757 42.059 0.002 0.000 0.901 69 L HN 0.240 nan 8.230 nan 0.000 0.433 70 L N -0.201 121.049 121.223 0.046 0.000 2.046 70 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 70 L C 2.696 179.567 176.870 0.001 0.000 1.077 70 L CA 1.417 56.272 54.840 0.026 0.000 0.747 70 L CB -0.506 41.616 42.059 0.106 0.000 0.896 70 L HN 0.250 nan 8.230 nan 0.000 0.432 71 K N -0.043 120.371 120.400 0.022 0.000 2.032 71 K HA -0.256 4.063 4.320 -0.001 0.000 0.209 71 K C 2.296 178.857 176.600 -0.064 0.000 1.048 71 K CA 1.572 57.859 56.287 0.000 0.000 0.927 71 K CB -0.122 32.398 32.500 0.033 0.000 0.712 71 K HN 0.141 nan 8.250 nan 0.000 0.441 72 M N 1.149 120.678 119.600 -0.117 0.000 2.086 72 M HA -0.220 4.259 4.480 -0.001 0.000 0.261 72 M C 2.183 178.302 176.300 -0.301 0.000 1.067 72 M CA 1.889 57.014 55.300 -0.292 0.000 1.116 72 M CB -0.522 31.624 32.600 -0.756 0.000 1.348 72 M HN 0.243 nan 8.290 nan 0.000 0.407 73 Q N 1.133 120.800 119.800 -0.222 0.000 2.029 73 Q HA -0.227 4.112 4.340 -0.001 0.000 0.209 73 Q C 1.600 177.480 176.000 -0.200 0.000 0.999 73 Q CA 2.714 58.415 55.803 -0.171 0.000 0.857 73 Q CB -0.455 28.234 28.738 -0.082 0.000 0.926 73 Q HN 0.543 nan 8.270 nan 0.000 0.415 74 N N -0.136 118.483 118.700 -0.136 0.000 2.104 74 N HA -0.170 4.569 4.740 -0.001 0.000 0.190 74 N C 1.689 177.103 175.510 -0.159 0.000 1.024 74 N CA 1.562 54.542 53.050 -0.117 0.000 0.853 74 N CB -0.275 38.175 38.487 -0.062 0.000 1.008 74 N HN 0.443 nan 8.380 nan 0.000 0.424 75 Q N -0.137 119.556 119.800 -0.179 0.000 2.181 75 Q HA -0.018 4.322 4.340 -0.001 0.000 0.205 75 Q C 1.275 177.096 176.000 -0.298 0.000 0.980 75 Q CA 0.990 56.675 55.803 -0.196 0.000 0.862 75 Q CB 0.104 28.741 28.738 -0.170 0.000 0.905 75 Q HN 0.208 nan 8.270 nan 0.000 0.429 76 R N -1.050 119.180 120.500 -0.451 0.000 2.317 76 R HA 0.096 4.435 4.340 -0.001 0.000 0.208 76 R C 1.041 177.047 176.300 -0.490 0.000 0.914 76 R CA 0.778 56.483 56.100 -0.660 0.000 1.060 76 R CB 0.517 30.003 30.300 -1.355 0.000 1.015 76 R HN 0.420 nan 8.270 nan 0.000 0.498 77 G N 0.367 108.986 108.800 -0.302 0.000 2.143 77 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.249 77 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.249 77 G C 0.528 175.388 174.900 -0.067 0.000 0.981 77 G CA 0.127 45.137 45.100 -0.149 0.000 0.665 77 G HN 0.580 nan 8.290 nan 0.000 0.528 78 G N -0.892 107.862 108.800 -0.078 0.000 2.599 78 G HA2 0.546 4.505 3.960 -0.001 0.000 0.264 78 G HA3 0.546 4.505 3.960 -0.001 0.000 0.264 78 G C -0.075 174.833 174.900 0.013 0.000 1.200 78 G CA -0.562 44.604 45.100 0.110 0.000 0.896 78 G HN 0.303 nan 8.290 nan 0.000 0.536 79 R N 0.032 120.539 120.500 0.011 0.000 2.409 79 R HA 0.481 4.820 4.340 -0.001 0.000 0.313 79 R C 0.131 176.385 176.300 -0.077 0.000 0.953 79 R CA -0.781 55.303 56.100 -0.028 0.000 0.849 79 R CB 1.212 31.502 30.300 -0.017 0.000 1.171 79 R HN 0.654 nan 8.270 nan 0.000 0.458 80 A N 4.817 127.566 122.820 -0.119 0.000 2.520 80 A HA 0.312 4.631 4.320 -0.001 0.000 0.245 80 A C -0.124 177.254 177.584 -0.343 0.000 1.072 80 A CA 0.244 52.107 52.037 -0.291 0.000 0.761 80 A CB 0.138 18.949 19.000 -0.316 0.000 1.004 80 A HN 0.631 nan 8.150 nan 0.000 0.499 81 L N 2.629 123.583 121.223 -0.449 0.000 2.409 81 L HA 0.495 4.834 4.340 -0.001 0.000 0.272 81 L C -1.172 175.466 176.870 -0.387 0.000 0.980 81 L CA -0.267 54.400 54.840 -0.288 0.000 0.826 81 L CB 1.743 43.728 42.059 -0.125 0.000 1.268 81 L HN 0.704 nan 8.230 nan 0.000 0.407 82 F N 1.665 121.623 119.950 0.013 0.000 2.422 82 F HA 0.514 5.040 4.527 -0.001 0.000 0.333 82 F C 0.469 176.277 175.800 0.014 0.000 1.095 82 F CA -0.515 57.494 58.000 0.015 0.000 1.038 82 F CB 1.577 40.584 39.000 0.011 0.000 1.156 82 F HN 0.382 nan 8.300 nan 0.000 0.483 83 Q N 0.820 120.741 119.800 0.201 0.000 2.378 83 Q HA 0.283 4.623 4.340 -0.001 0.000 0.276 83 Q C -1.156 174.913 176.000 0.114 0.000 1.083 83 Q CA -1.022 54.855 55.803 0.123 0.000 0.856 83 Q CB 1.421 30.207 28.738 0.079 0.000 1.383 83 Q HN 0.503 nan 8.270 nan 0.000 0.458 84 D N 1.068 121.515 120.400 0.078 0.000 2.506 84 D HA 0.046 4.685 4.640 -0.001 0.000 0.234 84 D C -0.187 176.159 176.300 0.076 0.000 1.143 84 D CA 0.589 54.628 54.000 0.064 0.000 0.871 84 D CB 0.482 41.315 40.800 0.054 0.000 1.190 84 D HN 0.210 nan 8.370 nan 0.000 0.459 85 L N 3.006 124.270 121.223 0.068 0.000 2.255 85 L HA 0.122 4.461 4.340 -0.001 0.000 0.289 85 L C 0.661 177.626 176.870 0.158 0.000 1.046 85 L CA -0.836 54.064 54.840 0.101 0.000 0.816 85 L CB 0.766 42.852 42.059 0.045 0.000 1.197 85 L HN 0.083 nan 8.230 nan 0.000 0.427 86 Q N 3.694 123.583 119.800 0.147 0.000 2.337 86 Q HA 0.057 4.396 4.340 -0.001 0.000 0.270 86 Q C -0.013 176.099 176.000 0.188 0.000 1.002 86 Q CA 0.015 55.899 55.803 0.134 0.000 0.888 86 Q CB 1.015 29.802 28.738 0.081 0.000 1.222 86 Q HN 0.501 nan 8.270 nan 0.000 0.400 87 K N 2.184 122.664 120.400 0.132 0.000 2.380 87 K HA 0.252 4.571 4.320 -0.001 0.000 0.267 87 K C -2.254 174.310 176.600 -0.060 0.000 0.990 87 K CA -1.251 55.044 56.287 0.013 0.000 0.946 87 K CB -0.302 32.189 32.500 -0.014 0.000 0.937 87 K HN 0.162 nan 8.250 nan 0.000 0.491 88 P HA -0.075 nan 4.420 nan 0.000 0.269 88 P C 0.276 177.552 177.300 -0.040 0.000 1.217 88 P CA -0.216 62.864 63.100 -0.035 0.000 0.783 88 P CB 0.759 32.493 31.700 0.056 0.000 0.898 89 S N -0.104 115.598 115.700 0.003 0.000 2.474 89 S HA -0.082 4.387 4.470 -0.001 0.000 0.235 89 S C 0.471 174.900 174.600 -0.285 0.000 0.997 89 S CA 0.639 58.783 58.200 -0.094 0.000 0.949 89 S CB -0.421 62.762 63.200 -0.030 0.000 0.766 89 S HN 0.540 nan 8.310 nan 0.000 0.517 90 Q N -0.212 119.238 119.800 -0.582 0.000 2.397 90 Q HA 0.393 4.733 4.340 -0.001 0.000 0.275 90 Q C -0.813 174.664 176.000 -0.872 0.000 1.090 90 Q CA -0.742 54.498 55.803 -0.940 0.000 0.809 90 Q CB 1.983 29.732 28.738 -1.648 0.000 1.362 90 Q HN 0.040 nan 8.270 nan 0.000 0.431 91 D N 0.748 120.778 120.400 -0.616 0.000 2.271 91 D HA 0.024 4.663 4.640 -0.001 0.000 0.206 91 D C -0.400 175.615 176.300 -0.476 0.000 0.967 91 D CA 1.054 54.811 54.000 -0.405 0.000 0.867 91 D CB 0.721 41.386 40.800 -0.225 0.000 0.960 91 D HN 0.418 nan 8.370 nan 0.000 0.509 92 E N -0.915 118.865 120.200 -0.700 0.000 2.272 92 E HA 0.248 4.598 4.350 -0.001 0.000 0.269 92 E C -0.474 175.482 176.600 -1.072 0.000 0.877 92 E CA -0.575 55.391 56.400 -0.724 0.000 0.755 92 E CB 1.796 31.323 29.700 -0.288 0.000 1.192 92 E HN 0.032 nan 8.360 nan 0.000 0.422 93 W N 1.760 122.279 121.300 -1.302 0.000 3.005 93 W HA 0.295 4.955 4.660 -0.001 0.000 0.374 93 W C 1.135 177.394 176.519 -0.434 0.000 1.076 93 W CA 0.338 57.206 57.345 -0.794 0.000 1.794 93 W CB 0.865 29.887 29.460 -0.729 0.000 1.113 93 W HN 0.981 nan 8.180 nan 0.000 0.584 94 G N 1.150 109.833 108.800 -0.194 0.000 2.550 94 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.277 94 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.277 94 G C 0.447 175.517 174.900 0.284 0.000 1.190 94 G CA 0.578 45.735 45.100 0.095 0.000 0.971 94 G HN 0.272 nan 8.290 nan 0.000 0.559 95 T N -2.807 111.908 114.554 0.269 0.000 2.847 95 T HA 0.569 4.918 4.350 -0.001 0.000 0.279 95 T C 1.619 176.608 174.700 0.481 0.000 0.984 95 T CA 0.988 63.287 62.100 0.332 0.000 0.988 95 T CB 1.078 70.067 68.868 0.201 0.000 1.040 95 T HN 0.981 nan 8.240 nan 0.000 0.528 96 T N 2.362 117.186 114.554 0.450 0.000 2.665 96 T HA -0.040 4.309 4.350 -0.001 0.000 0.268 96 T C -0.762 174.043 174.700 0.174 0.000 1.035 96 T CA 1.671 63.947 62.100 0.293 0.000 1.151 96 T CB -1.387 67.533 68.868 0.087 0.000 0.862 96 T HN 0.625 nan 8.240 nan 0.000 0.438 97 P HA -0.065 nan 4.420 nan 0.000 0.215 97 P C 1.068 178.439 177.300 0.119 0.000 1.153 97 P CA 1.172 64.302 63.100 0.050 0.000 0.853 97 P CB -0.117 31.591 31.700 0.014 0.000 0.788 98 D N -0.113 120.387 120.400 0.166 0.000 2.104 98 D HA -0.146 4.493 4.640 -0.001 0.000 0.194 98 D C 2.082 178.519 176.300 0.227 0.000 0.994 98 D CA 1.801 55.905 54.000 0.173 0.000 0.830 98 D CB -0.766 40.136 40.800 0.170 0.000 0.959 98 D HN 0.091 nan 8.370 nan 0.000 0.452 99 A N 0.649 123.662 122.820 0.321 0.000 1.877 99 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 99 A C 2.180 179.955 177.584 0.318 0.000 1.186 99 A CA 1.773 54.005 52.037 0.325 0.000 0.620 99 A CB -0.530 18.809 19.000 0.564 0.000 0.822 99 A HN 0.149 nan 8.150 nan 0.000 0.443 100 M N -0.075 119.728 119.600 0.338 0.000 2.159 100 M HA -0.085 4.394 4.480 -0.001 0.000 0.263 100 M C 1.843 178.269 176.300 0.210 0.000 1.063 100 M CA 1.725 57.205 55.300 0.300 0.000 1.110 100 M CB -0.376 32.302 32.600 0.130 0.000 1.374 100 M HN 0.376 nan 8.290 nan 0.000 0.411 101 K N -0.611 119.880 120.400 0.152 0.000 2.026 101 K HA -0.098 4.221 4.320 -0.001 0.000 0.208 101 K C 1.983 178.658 176.600 0.124 0.000 1.048 101 K CA 1.472 57.828 56.287 0.116 0.000 0.929 101 K CB -0.448 32.107 32.500 0.091 0.000 0.713 101 K HN 0.434 nan 8.250 nan 0.000 0.439 102 A N 1.457 124.362 122.820 0.141 0.000 1.933 102 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 102 A C 2.351 179.989 177.584 0.090 0.000 1.175 102 A CA 1.835 53.945 52.037 0.122 0.000 0.628 102 A CB -0.626 18.483 19.000 0.181 0.000 0.814 102 A HN 0.346 nan 8.150 nan 0.000 0.444 103 A N -0.027 122.888 122.820 0.159 0.000 1.930 103 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 103 A C 2.084 179.805 177.584 0.228 0.000 1.175 103 A CA 1.471 53.671 52.037 0.273 0.000 0.627 103 A CB -0.575 18.775 19.000 0.584 0.000 0.815 103 A HN 0.508 nan 8.150 nan 0.000 0.443 104 I N -0.504 120.177 120.570 0.185 0.000 2.315 104 I HA -0.182 3.987 4.170 -0.001 0.000 0.248 104 I C 2.291 178.462 176.117 0.090 0.000 1.117 104 I CA 0.833 62.212 61.300 0.132 0.000 1.404 104 I CB -0.392 37.671 38.000 0.105 0.000 1.071 104 I HN 0.129 nan 8.210 nan 0.000 0.419 105 V N 0.917 120.878 119.914 0.077 0.000 2.287 105 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 105 V C 2.463 178.577 176.094 0.034 0.000 1.053 105 V CA 1.850 64.180 62.300 0.051 0.000 1.027 105 V CB -0.603 31.249 31.823 0.048 0.000 0.646 105 V HN 0.350 nan 8.190 nan 0.000 0.447 106 L N 0.218 121.454 121.223 0.022 0.000 1.989 106 L HA -0.156 4.183 4.340 -0.001 0.000 0.211 106 L C 2.539 179.409 176.870 0.000 0.000 1.071 106 L CA 1.983 56.808 54.840 -0.024 0.000 0.749 106 L CB -0.935 41.056 42.059 -0.114 0.000 0.890 106 L HN 0.299 nan 8.230 nan 0.000 0.431 107 E N 0.054 120.290 120.200 0.060 0.000 2.077 107 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 107 E C 2.193 178.819 176.600 0.044 0.000 0.989 107 E CA 1.288 57.726 56.400 0.064 0.000 0.800 107 E CB -0.241 29.524 29.700 0.109 0.000 0.746 107 E HN 0.568 nan 8.360 nan 0.000 0.452 108 K N 0.826 121.253 120.400 0.045 0.000 2.097 108 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 108 K C 2.372 178.990 176.600 0.030 0.000 1.049 108 K CA 1.441 57.751 56.287 0.039 0.000 0.933 108 K CB -0.160 32.362 32.500 0.037 0.000 0.717 108 K HN 0.104 nan 8.250 nan 0.000 0.442 109 S N 1.290 117.001 115.700 0.019 0.000 2.383 109 S HA -0.100 4.369 4.470 -0.001 0.000 0.227 109 S C 2.044 176.651 174.600 0.012 0.000 1.026 109 S CA 0.771 58.978 58.200 0.013 0.000 0.981 109 S CB -0.516 62.685 63.200 0.002 0.000 0.818 109 S HN 0.182 nan 8.310 nan 0.000 0.472 110 L N 1.554 122.770 121.223 -0.012 0.000 2.017 110 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 110 L C 2.921 179.834 176.870 0.071 0.000 1.073 110 L CA 1.684 56.511 54.840 -0.022 0.000 0.745 110 L CB -0.875 41.087 42.059 -0.163 0.000 0.894 110 L HN 0.366 nan 8.230 nan 0.000 0.432 111 N N -0.055 118.687 118.700 0.071 0.000 2.104 111 N HA -0.257 4.482 4.740 -0.001 0.000 0.190 111 N C 1.858 177.413 175.510 0.074 0.000 1.024 111 N CA 1.376 54.480 53.050 0.089 0.000 0.853 111 N CB -0.037 38.491 38.487 0.068 0.000 1.008 111 N HN 0.173 nan 8.380 nan 0.000 0.424 112 Q N 0.070 119.903 119.800 0.055 0.000 2.119 112 Q HA 0.120 4.459 4.340 -0.001 0.000 0.201 112 Q C 1.845 177.879 176.000 0.057 0.000 0.972 112 Q CA 1.726 57.558 55.803 0.048 0.000 0.847 112 Q CB -0.634 28.125 28.738 0.036 0.000 0.903 112 Q HN 0.403 nan 8.270 nan 0.000 0.433 113 A N 0.172 123.031 122.820 0.065 0.000 1.908 113 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 113 A C 2.096 179.733 177.584 0.089 0.000 1.181 113 A CA 1.532 53.614 52.037 0.074 0.000 0.627 113 A CB -0.827 18.225 19.000 0.086 0.000 0.818 113 A HN 0.456 nan 8.150 nan 0.000 0.445 114 L N -0.747 120.545 121.223 0.115 0.000 2.046 114 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 114 L C 2.607 179.545 176.870 0.112 0.000 1.077 114 L CA 1.132 56.041 54.840 0.115 0.000 0.747 114 L CB -0.567 41.585 42.059 0.155 0.000 0.896 114 L HN 0.381 nan 8.230 nan 0.000 0.432 115 L N -0.545 120.732 121.223 0.090 0.000 2.017 115 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 115 L C 2.312 179.239 176.870 0.096 0.000 1.073 115 L CA 1.120 56.005 54.840 0.075 0.000 0.745 115 L CB -0.696 41.387 42.059 0.040 0.000 0.894 115 L HN 0.291 nan 8.230 nan 0.000 0.432 116 D N 0.096 120.540 120.400 0.073 0.000 2.123 116 D HA -0.200 4.439 4.640 -0.001 0.000 0.196 116 D C 2.062 178.401 176.300 0.066 0.000 0.992 116 D CA 1.126 55.163 54.000 0.062 0.000 0.833 116 D CB -0.212 40.614 40.800 0.043 0.000 0.954 116 D HN 0.131 nan 8.370 nan 0.000 0.455 117 L N 0.224 121.489 121.223 0.070 0.000 2.093 117 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 117 L C 2.175 179.087 176.870 0.070 0.000 1.085 117 L CA 1.812 56.682 54.840 0.050 0.000 0.755 117 L CB -0.756 41.326 42.059 0.038 0.000 0.904 117 L HN 0.098 nan 8.230 nan 0.000 0.435 118 H N -0.840 118.247 119.070 0.028 0.000 2.353 118 H HA -0.078 4.477 4.556 -0.001 0.000 0.300 118 H C 2.110 177.453 175.328 0.025 0.000 1.090 118 H CA 1.690 57.759 56.048 0.034 0.000 1.327 118 H CB 0.106 29.891 29.762 0.038 0.000 1.383 118 H HN 0.436 nan 8.280 nan 0.000 0.508 119 A N 0.458 123.386 122.820 0.180 0.000 1.902 119 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 119 A C 2.332 179.936 177.584 0.033 0.000 1.181 119 A CA 1.464 53.568 52.037 0.113 0.000 0.623 119 A CB -0.838 18.214 19.000 0.088 0.000 0.818 119 A HN 0.487 nan 8.150 nan 0.000 0.443 120 L N 0.156 121.387 121.223 0.014 0.000 2.017 120 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 120 L C 2.432 179.276 176.870 -0.044 0.000 1.073 120 L CA 2.427 57.256 54.840 -0.018 0.000 0.745 120 L CB -1.095 40.948 42.059 -0.026 0.000 0.894 120 L HN 0.303 nan 8.230 nan 0.000 0.432 121 G N -1.479 107.280 108.800 -0.068 0.000 2.440 121 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.218 121 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.218 121 G C 1.533 176.373 174.900 -0.100 0.000 1.154 121 G CA 1.013 46.054 45.100 -0.098 0.000 0.767 121 G HN 0.519 nan 8.290 nan 0.000 0.552 122 S N 1.308 116.938 115.700 -0.118 0.000 2.368 122 S HA -0.027 4.442 4.470 -0.001 0.000 0.225 122 S C 2.761 177.347 174.600 -0.023 0.000 1.030 122 S CA 1.265 59.429 58.200 -0.060 0.000 0.999 122 S CB -0.455 62.746 63.200 0.002 0.000 0.844 122 S HN 0.606 nan 8.310 nan 0.000 0.459 123 A N 1.402 124.212 122.820 -0.016 0.000 1.930 123 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 123 A C 2.004 179.577 177.584 -0.019 0.000 1.175 123 A CA 1.020 53.050 52.037 -0.011 0.000 0.627 123 A CB -0.380 18.615 19.000 -0.009 0.000 0.815 123 A HN 0.363 nan 8.150 nan 0.000 0.443 124 Q N -1.127 118.655 119.800 -0.030 0.000 2.444 124 Q HA 0.282 4.621 4.340 -0.001 0.000 0.206 124 Q C 0.717 176.705 176.000 -0.021 0.000 0.948 124 Q CA 0.634 56.418 55.803 -0.032 0.000 0.946 124 Q CB -0.433 28.273 28.738 -0.052 0.000 1.027 124 Q HN 0.902 nan 8.270 nan 0.000 0.513 125 A N 2.305 125.115 122.820 -0.017 0.000 2.466 125 A HA -0.183 4.136 4.320 -0.001 0.000 0.295 125 A C -0.179 177.407 177.584 0.003 0.000 1.465 125 A CA 0.944 52.977 52.037 -0.006 0.000 0.744 125 A CB -1.599 17.401 19.000 0.001 0.000 1.098 125 A HN 0.263 nan 8.150 nan 0.000 0.402 126 D N 0.221 120.620 120.400 -0.002 0.000 2.483 126 D HA 0.370 5.010 4.640 -0.001 0.000 0.281 126 D C -0.921 175.400 176.300 0.035 0.000 1.174 126 D CA -1.520 52.500 54.000 0.033 0.000 0.938 126 D CB 0.732 41.553 40.800 0.036 0.000 1.002 126 D HN 0.279 nan 8.370 nan 0.000 0.501 127 P HA -0.158 nan 4.420 nan 0.000 0.221 127 P C 1.374 178.720 177.300 0.076 0.000 1.150 127 P CA 0.741 63.864 63.100 0.038 0.000 0.800 127 P CB 0.211 31.938 31.700 0.045 0.000 0.787 128 H N 0.468 119.562 119.070 0.039 0.000 2.357 128 H HA -0.087 4.468 4.556 -0.001 0.000 0.301 128 H C 1.889 177.280 175.328 0.105 0.000 1.082 128 H CA 1.120 57.207 56.048 0.064 0.000 1.342 128 H CB -0.503 29.280 29.762 0.036 0.000 1.389 128 H HN -0.040 nan 8.280 nan 0.000 0.511 129 L N 0.824 122.161 121.223 0.190 0.000 2.017 129 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 129 L C 2.829 179.760 176.870 0.101 0.000 1.073 129 L CA 1.784 56.718 54.840 0.157 0.000 0.745 129 L CB -1.180 40.951 42.059 0.120 0.000 0.894 129 L HN 0.319 nan 8.230 nan 0.000 0.432 130 C N -0.111 119.173 119.300 -0.026 0.000 2.413 130 C HA -0.198 4.261 4.460 -0.001 0.000 0.276 130 C C 2.523 177.558 174.990 0.074 0.000 1.236 130 C CA 1.185 60.123 59.018 -0.133 0.000 1.735 130 C CB -1.204 26.360 27.740 -0.293 0.000 2.031 130 C HN 0.747 nan 8.230 nan 0.000 0.474 131 D N -0.378 120.045 120.400 0.037 0.000 2.097 131 D HA -0.190 4.449 4.640 -0.001 0.000 0.195 131 D C 1.877 178.187 176.300 0.016 0.000 0.989 131 D CA 1.259 55.267 54.000 0.013 0.000 0.827 131 D CB -0.373 40.400 40.800 -0.044 0.000 0.966 131 D HN 0.501 nan 8.370 nan 0.000 0.456 132 F N 0.720 120.598 119.950 -0.120 0.000 2.065 132 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 132 F C 1.958 177.861 175.800 0.172 0.000 1.112 132 F CA 1.483 59.488 58.000 0.010 0.000 1.212 132 F CB -0.242 38.750 39.000 -0.013 0.000 0.975 132 F HN 0.007 nan 8.300 nan 0.000 0.476 133 L N -0.034 121.308 121.223 0.199 0.000 2.083 133 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 133 L C 2.349 179.290 176.870 0.120 0.000 1.083 133 L CA 1.645 56.585 54.840 0.166 0.000 0.752 133 L CB -0.756 41.446 42.059 0.238 0.000 0.899 133 L HN 0.230 nan 8.230 nan 0.000 0.433 134 E N -0.493 119.753 120.200 0.077 0.000 2.107 134 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 134 E C 2.318 178.861 176.600 -0.096 0.000 0.982 134 E CA 1.283 57.693 56.400 0.018 0.000 0.809 134 E CB 0.057 29.782 29.700 0.041 0.000 0.756 134 E HN 0.327 nan 8.360 nan 0.000 0.459 135 S N -0.195 115.369 115.700 -0.227 0.000 2.395 135 S HA -0.057 4.413 4.470 -0.001 0.000 0.225 135 S C 1.450 175.659 174.600 -0.651 0.000 1.027 135 S CA 0.724 58.646 58.200 -0.463 0.000 0.965 135 S CB -0.021 62.803 63.200 -0.628 0.000 0.812 135 S HN 0.354 nan 8.310 nan 0.000 0.482 136 H N -1.744 117.182 119.070 -0.240 0.000 2.874 136 H HA 0.351 4.906 4.556 -0.002 0.000 0.264 136 H C 0.568 175.534 175.328 -0.604 0.000 1.007 136 H CA 0.234 56.016 56.048 -0.445 0.000 1.207 136 H CB 0.317 29.675 29.762 -0.673 0.000 1.487 136 H HN 0.387 nan 8.280 nan 0.000 0.505 137 F N -0.471 119.419 119.950 -0.100 0.000 2.496 137 F HA 0.152 4.679 4.527 -0.001 0.000 0.274 137 F C 2.164 177.971 175.800 0.012 0.000 0.924 137 F CA -0.048 57.940 58.000 -0.020 0.000 1.147 137 F CB -0.019 38.971 39.000 -0.017 0.000 0.969 137 F HN -0.135 nan 8.300 nan 0.000 0.749 138 L N 0.199 121.520 121.223 0.163 0.000 2.017 138 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 138 L C 1.927 178.822 176.870 0.040 0.000 1.073 138 L CA 1.946 56.840 54.840 0.091 0.000 0.745 138 L CB -0.497 41.582 42.059 0.034 0.000 0.894 138 L HN 0.150 nan 8.230 nan 0.000 0.432 139 D N -0.132 120.270 120.400 0.003 0.000 2.149 139 D HA -0.213 4.426 4.640 -0.001 0.000 0.201 139 D C 2.094 178.387 176.300 -0.012 0.000 0.972 139 D CA 0.959 54.950 54.000 -0.016 0.000 0.835 139 D CB 0.156 40.933 40.800 -0.038 0.000 0.966 139 D HN 0.286 nan 8.370 nan 0.000 0.476 140 E N 0.102 120.289 120.200 -0.021 0.000 2.070 140 E HA -0.266 4.084 4.350 -0.001 0.000 0.197 140 E C 1.713 178.324 176.600 0.018 0.000 1.004 140 E CA 1.170 57.556 56.400 -0.022 0.000 0.805 140 E CB 0.009 29.670 29.700 -0.064 0.000 0.744 140 E HN 0.110 nan 8.360 nan 0.000 0.451 141 E N 0.355 120.593 120.200 0.063 0.000 2.051 141 E HA -0.139 4.210 4.350 -0.001 0.000 0.192 141 E C 2.255 178.883 176.600 0.046 0.000 0.991 141 E CA 0.990 57.438 56.400 0.081 0.000 0.799 141 E CB -0.504 29.270 29.700 0.122 0.000 0.748 141 E HN 0.197 nan 8.360 nan 0.000 0.449 142 V N 1.343 121.277 119.914 0.032 0.000 2.287 142 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 142 V C 2.296 178.392 176.094 0.005 0.000 1.053 142 V CA 2.116 64.426 62.300 0.016 0.000 1.027 142 V CB -0.353 31.473 31.823 0.005 0.000 0.646 142 V HN 0.261 nan 8.190 nan 0.000 0.447 143 K N -0.605 119.794 120.400 -0.003 0.000 2.063 143 K HA -0.213 4.106 4.320 -0.001 0.000 0.208 143 K C 2.064 178.655 176.600 -0.014 0.000 1.048 143 K CA 1.635 57.913 56.287 -0.014 0.000 0.928 143 K CB -0.410 32.077 32.500 -0.022 0.000 0.713 143 K HN 0.293 nan 8.250 nan 0.000 0.442 144 L N 1.386 122.607 121.223 -0.003 0.000 2.056 144 L HA -0.104 4.235 4.340 -0.001 0.000 0.207 144 L C 1.875 178.757 176.870 0.020 0.000 1.078 144 L CA 1.506 56.347 54.840 0.003 0.000 0.749 144 L CB -0.201 41.861 42.059 0.005 0.000 0.901 144 L HN 0.141 nan 8.230 nan 0.000 0.433 145 I N -0.474 120.113 120.570 0.028 0.000 2.286 145 I HA -0.281 3.888 4.170 -0.001 0.000 0.248 145 I C 2.460 178.582 176.117 0.009 0.000 1.115 145 I CA 1.294 62.614 61.300 0.034 0.000 1.392 145 I CB -0.375 37.648 38.000 0.038 0.000 1.065 145 I HN 0.251 nan 8.210 nan 0.000 0.418 146 K N 1.821 122.217 120.400 -0.008 0.000 2.057 146 K HA -0.233 4.086 4.320 -0.001 0.000 0.207 146 K C 2.050 178.610 176.600 -0.066 0.000 1.049 146 K CA 1.723 57.994 56.287 -0.027 0.000 0.931 146 K CB -0.276 32.209 32.500 -0.027 0.000 0.714 146 K HN 0.115 nan 8.250 nan 0.000 0.440 147 K N -0.185 120.160 120.400 -0.092 0.000 2.063 147 K HA -0.126 4.193 4.320 -0.001 0.000 0.208 147 K C 2.080 178.487 176.600 -0.322 0.000 1.048 147 K CA 1.863 58.018 56.287 -0.220 0.000 0.928 147 K CB -0.122 32.279 32.500 -0.165 0.000 0.713 147 K HN 0.186 nan 8.250 nan 0.000 0.442 148 M N -0.262 119.280 119.600 -0.097 0.000 2.175 148 M HA -0.070 4.409 4.480 -0.001 0.000 0.264 148 M C 2.269 178.570 176.300 0.001 0.000 1.063 148 M CA 1.649 56.954 55.300 0.009 0.000 1.119 148 M CB -0.373 32.307 32.600 0.133 0.000 1.377 148 M HN 0.390 nan 8.290 nan 0.000 0.415 149 G N 0.408 109.200 108.800 -0.012 0.000 2.418 149 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.217 149 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.217 149 G C 1.003 175.895 174.900 -0.014 0.000 1.158 149 G CA 1.132 46.230 45.100 -0.004 0.000 0.771 149 G HN 0.340 nan 8.290 nan 0.000 0.545 150 D N 0.165 120.535 120.400 -0.050 0.000 2.123 150 D HA -0.088 4.552 4.640 -0.001 0.000 0.196 150 D C 2.240 178.582 176.300 0.071 0.000 0.992 150 D CA 0.940 54.926 54.000 -0.023 0.000 0.833 150 D CB -0.387 40.371 40.800 -0.071 0.000 0.954 150 D HN 0.280 nan 8.370 nan 0.000 0.455 151 H N 0.028 119.106 119.070 0.013 0.000 2.321 151 H HA -0.042 4.513 4.556 -0.002 0.000 0.300 151 H C 2.206 177.422 175.328 -0.187 0.000 1.087 151 H CA 0.410 56.459 56.048 0.002 0.000 1.319 151 H CB -0.746 29.001 29.762 -0.025 0.000 1.379 151 H HN 0.085 nan 8.280 nan 0.000 0.501 152 L N 0.441 121.668 121.223 0.007 0.000 2.013 152 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 152 L C 2.347 179.168 176.870 -0.081 0.000 1.073 152 L CA 1.870 56.672 54.840 -0.065 0.000 0.753 152 L CB -0.828 41.224 42.059 -0.010 0.000 0.890 152 L HN 0.210 nan 8.230 nan 0.000 0.432 153 T N -0.448 114.086 114.554 -0.033 0.000 2.684 153 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 153 T C 1.766 176.444 174.700 -0.037 0.000 1.036 153 T CA 1.615 63.701 62.100 -0.024 0.000 1.148 153 T CB -0.315 68.553 68.868 0.001 0.000 0.863 153 T HN 0.396 nan 8.240 nan 0.000 0.436 154 N N 0.874 119.559 118.700 -0.024 0.000 2.142 154 N HA 0.011 4.750 4.740 -0.001 0.000 0.186 154 N C 1.987 177.400 175.510 -0.162 0.000 1.023 154 N CA 1.019 54.067 53.050 -0.003 0.000 0.852 154 N CB -0.293 38.317 38.487 0.205 0.000 0.998 154 N HN 0.376 nan 8.380 nan 0.000 0.424 155 I N 1.814 122.108 120.570 -0.461 0.000 2.163 155 I HA -0.311 3.858 4.170 -0.001 0.000 0.243 155 I C 2.396 178.386 176.117 -0.212 0.000 1.085 155 I CA 1.349 62.339 61.300 -0.517 0.000 1.347 155 I CB -0.284 37.337 38.000 -0.633 0.000 1.044 155 I HN 0.148 nan 8.210 nan 0.000 0.408 156 Q N 0.048 119.763 119.800 -0.142 0.000 2.079 156 Q HA -0.223 4.116 4.340 -0.001 0.000 0.200 156 Q C 2.350 178.325 176.000 -0.042 0.000 0.974 156 Q CA 1.269 57.030 55.803 -0.070 0.000 0.840 156 Q CB -0.260 28.450 28.738 -0.047 0.000 0.898 156 Q HN 0.386 nan 8.270 nan 0.000 0.430 157 R N 0.730 121.208 120.500 -0.036 0.000 2.105 157 R HA -0.148 4.191 4.340 -0.001 0.000 0.239 157 R C 1.858 178.156 176.300 -0.004 0.000 1.135 157 R CA 1.157 57.250 56.100 -0.011 0.000 0.967 157 R CB -0.094 30.206 30.300 0.001 0.000 0.861 157 R HN 0.258 nan 8.270 nan 0.000 0.442 158 L N 0.325 121.541 121.223 -0.011 0.000 2.418 158 L HA 0.001 4.340 4.340 -0.001 0.000 0.218 158 L C 1.438 178.314 176.870 0.010 0.000 1.125 158 L CA 0.195 55.042 54.840 0.011 0.000 0.835 158 L CB 0.623 42.699 42.059 0.027 0.000 0.953 158 L HN 0.147 nan 8.230 nan 0.000 0.454 159 V N -4.128 115.782 119.914 -0.007 0.000 3.085 159 V HA 0.475 4.594 4.120 -0.001 0.000 0.345 159 V C 1.000 177.098 176.094 0.006 0.000 1.397 159 V CA -0.164 62.137 62.300 0.002 0.000 1.165 159 V CB -0.545 31.273 31.823 -0.008 0.000 1.153 159 V HN 0.107 nan 8.190 nan 0.000 0.495 160 G N 0.613 109.417 108.800 0.006 0.000 2.481 160 G HA2 0.449 4.408 3.960 -0.001 0.000 0.251 160 G HA3 0.449 4.408 3.960 -0.001 0.000 0.251 160 G C 0.441 175.350 174.900 0.016 0.000 1.492 160 G CA 0.768 45.874 45.100 0.010 0.000 1.060 160 G HN 0.957 nan 8.290 nan 0.000 0.553 161 S N -1.614 114.096 115.700 0.016 0.000 4.120 161 S HA -0.277 4.192 4.470 -0.001 0.000 0.625 161 S C 0.435 175.046 174.600 0.018 0.000 1.925 161 S CA 1.496 59.708 58.200 0.019 0.000 4.213 161 S CB -1.285 61.930 63.200 0.024 0.000 0.206 161 S HN 1.624 nan 8.310 nan 0.000 0.523 162 Q N -1.174 118.639 119.800 0.021 0.000 2.334 162 Q HA -0.073 4.266 4.340 -0.001 0.000 0.279 162 Q C 0.519 176.541 176.000 0.037 0.000 1.265 162 Q CA 0.674 56.494 55.803 0.027 0.000 0.685 162 Q CB -2.077 26.677 28.738 0.026 0.000 1.101 162 Q HN 1.074 nan 8.270 nan 0.000 0.390 163 A N 0.338 123.180 122.820 0.037 0.000 1.898 163 A HA 0.004 4.323 4.320 -0.001 0.000 0.216 163 A C 2.036 179.659 177.584 0.064 0.000 1.181 163 A CA 2.009 54.072 52.037 0.045 0.000 0.620 163 A CB -0.641 18.384 19.000 0.042 0.000 0.819 163 A HN 0.713 nan 8.150 nan 0.000 0.442 164 G N -0.001 108.835 108.800 0.061 0.000 2.446 164 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.217 164 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.217 164 G C 1.509 176.469 174.900 0.099 0.000 1.168 164 G CA 1.273 46.418 45.100 0.075 0.000 0.771 164 G HN 0.514 nan 8.290 nan 0.000 0.551 165 L N 1.663 122.932 121.223 0.077 0.000 2.013 165 L HA 0.054 4.393 4.340 -0.001 0.000 0.212 165 L C 2.805 179.765 176.870 0.149 0.000 1.073 165 L CA 2.605 57.507 54.840 0.104 0.000 0.753 165 L CB -1.047 41.051 42.059 0.065 0.000 0.890 165 L HN 0.178 nan 8.230 nan 0.000 0.432 166 G N -1.391 107.473 108.800 0.107 0.000 2.418 166 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.217 166 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.217 166 G C 1.525 176.503 174.900 0.130 0.000 1.158 166 G CA 0.801 45.962 45.100 0.101 0.000 0.771 166 G HN 0.555 nan 8.290 nan 0.000 0.545 167 E N -0.852 119.429 120.200 0.134 0.000 2.072 167 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 167 E C 2.009 178.723 176.600 0.190 0.000 0.985 167 E CA 0.673 57.165 56.400 0.153 0.000 0.801 167 E CB -0.281 29.509 29.700 0.151 0.000 0.750 167 E HN 0.576 nan 8.360 nan 0.000 0.452 168 Y N 0.934 121.278 120.300 0.074 0.000 2.114 168 Y HA -0.231 4.318 4.550 -0.001 0.000 0.284 168 Y C 1.957 177.878 175.900 0.036 0.000 1.143 168 Y CA 1.758 59.888 58.100 0.050 0.000 1.135 168 Y CB -0.109 38.372 38.460 0.034 0.000 0.980 168 Y HN 0.022 nan 8.280 nan 0.000 0.499 169 L N -1.196 120.071 121.223 0.072 0.000 2.083 169 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 169 L C 2.318 179.139 176.870 -0.082 0.000 1.083 169 L CA 1.396 56.212 54.840 -0.040 0.000 0.752 169 L CB -0.712 41.390 42.059 0.071 0.000 0.899 169 L HN 0.298 nan 8.230 nan 0.000 0.433 170 F N 1.029 120.903 119.950 -0.127 0.000 2.102 170 F HA -0.255 4.271 4.527 -0.001 0.000 0.298 170 F C 2.692 178.352 175.800 -0.232 0.000 1.105 170 F CA 1.889 59.790 58.000 -0.165 0.000 1.239 170 F CB -0.213 38.697 39.000 -0.150 0.000 0.991 170 F HN 0.077 nan 8.300 nan 0.000 0.474 171 E N 0.353 120.437 120.200 -0.193 0.000 2.110 171 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 171 E C 2.290 178.658 176.600 -0.386 0.000 0.988 171 E CA 1.024 57.245 56.400 -0.299 0.000 0.804 171 E CB -0.092 29.518 29.700 -0.150 0.000 0.745 171 E HN 0.320 nan 8.360 nan 0.000 0.458 172 R N -0.141 120.102 120.500 -0.427 0.000 2.093 172 R HA 0.045 4.384 4.340 -0.001 0.000 0.224 172 R C 2.463 178.570 176.300 -0.322 0.000 1.101 172 R CA 0.663 56.519 56.100 -0.407 0.000 0.979 172 R CB -0.274 29.706 30.300 -0.534 0.000 0.877 172 R HN 0.291 nan 8.270 nan 0.000 0.441 173 L N -0.891 120.136 121.223 -0.327 0.000 2.515 173 L HA 0.113 4.452 4.340 -0.001 0.000 0.223 173 L C 1.623 178.305 176.870 -0.315 0.000 1.079 173 L CA 0.524 55.209 54.840 -0.258 0.000 0.857 173 L CB 0.187 42.142 42.059 -0.174 0.000 1.050 173 L HN 0.056 nan 8.230 nan 0.000 0.476 174 T N -0.337 113.900 114.554 -0.527 0.000 3.045 174 T HA 0.247 4.596 4.350 -0.001 0.000 0.239 174 T C 0.950 175.298 174.700 -0.588 0.000 1.008 174 T CA 0.157 61.886 62.100 -0.619 0.000 1.143 174 T CB 0.322 68.546 68.868 -1.075 0.000 0.894 174 T HN -0.086 nan 8.240 nan 0.000 0.451 175 L N 0.000 120.803 121.223 -0.700 0.000 2.949 175 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 175 L CA 0.000 54.538 54.840 -0.502 0.000 0.813 175 L CB 0.000 41.735 42.059 -0.541 0.000 0.961 175 L HN 0.000 nan 8.230 nan 0.000 0.502