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 2v2i_1_A DATA FIRST_RESID 2 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.591 174.600 -0.015 0.000 1.055 2 S CA 0.000 58.193 58.200 -0.011 0.000 1.107 2 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 3 Q N 4.007 123.796 119.800 -0.019 0.000 2.364 3 Q HA -0.007 4.332 4.340 -0.001 0.000 0.207 3 Q C 1.401 177.383 176.000 -0.029 0.000 0.970 3 Q CA 1.770 57.560 55.803 -0.021 0.000 0.888 3 Q CB -0.442 28.284 28.738 -0.020 0.000 0.951 3 Q HN 0.898 nan 8.270 nan 0.000 0.469 4 I N -2.840 117.706 120.570 -0.040 0.000 3.790 4 I HA 0.251 4.420 4.170 -0.001 0.000 0.305 4 I C 1.089 177.167 176.117 -0.064 0.000 1.253 4 I CA -0.641 60.625 61.300 -0.057 0.000 1.355 4 I CB 0.084 38.038 38.000 -0.078 0.000 1.137 4 I HN -0.100 nan 8.210 nan 0.000 0.435 5 R N 3.031 123.501 120.500 -0.050 0.000 2.522 5 R HA 0.127 4.466 4.340 -0.001 0.000 0.284 5 R C -0.511 175.780 176.300 -0.015 0.000 1.032 5 R CA 0.475 56.553 56.100 -0.036 0.000 1.049 5 R CB 0.358 30.664 30.300 0.011 0.000 0.956 5 R HN 0.515 nan 8.270 nan 0.000 0.422 6 Q N 3.764 123.557 119.800 -0.011 0.000 2.331 6 Q HA 0.067 4.406 4.340 -0.001 0.000 0.249 6 Q C -1.156 174.860 176.000 0.027 0.000 0.913 6 Q CA -0.483 55.319 55.803 -0.000 0.000 0.874 6 Q CB 1.045 29.767 28.738 -0.026 0.000 1.384 6 Q HN 0.829 nan 8.270 nan 0.000 0.427 7 N N 2.255 120.982 118.700 0.045 0.000 2.747 7 N HA -0.254 4.486 4.740 -0.001 0.000 0.249 7 N C -2.161 173.423 175.510 0.124 0.000 1.107 7 N CA 1.005 54.091 53.050 0.060 0.000 0.707 7 N CB -0.975 37.539 38.487 0.044 0.000 1.054 7 N HN 0.589 nan 8.380 nan 0.000 0.555 8 Y N 0.736 121.010 120.300 -0.042 0.000 2.526 8 Y HA 0.461 5.010 4.550 -0.001 0.000 0.328 8 Y C 0.047 175.921 175.900 -0.043 0.000 0.995 8 Y CA -0.760 57.311 58.100 -0.048 0.000 1.304 8 Y CB 0.303 38.723 38.460 -0.067 0.000 1.096 8 Y HN 0.219 nan 8.280 nan 0.000 0.499 9 S N 1.470 117.002 115.700 -0.280 0.000 2.585 9 S HA 0.071 4.540 4.470 -0.001 0.000 0.273 9 S C 1.312 175.712 174.600 -0.332 0.000 1.339 9 S CA 0.091 58.153 58.200 -0.230 0.000 1.028 9 S CB 1.199 64.296 63.200 -0.170 0.000 0.906 9 S HN 0.788 nan 8.310 nan 0.000 0.528 10 T N -0.437 114.001 114.554 -0.193 0.000 2.881 10 T HA -0.087 4.262 4.350 -0.001 0.000 0.270 10 T C 1.192 175.785 174.700 -0.177 0.000 1.068 10 T CA 1.320 63.320 62.100 -0.167 0.000 1.131 10 T CB -0.573 68.240 68.868 -0.092 0.000 0.871 10 T HN 0.697 nan 8.240 nan 0.000 0.479 11 E N 0.759 120.859 120.200 -0.167 0.000 2.072 11 E HA 0.024 4.373 4.350 -0.001 0.000 0.191 11 E C 2.340 178.838 176.600 -0.171 0.000 0.985 11 E CA 0.750 57.068 56.400 -0.135 0.000 0.801 11 E CB -0.420 29.218 29.700 -0.102 0.000 0.750 11 E HN 0.336 nan 8.360 nan 0.000 0.452 12 V N 1.007 120.763 119.914 -0.263 0.000 2.307 12 V HA -0.247 3.872 4.120 -0.001 0.000 0.245 12 V C 2.344 178.241 176.094 -0.330 0.000 1.045 12 V CA 1.966 64.088 62.300 -0.297 0.000 1.024 12 V CB -0.396 31.202 31.823 -0.376 0.000 0.651 12 V HN 0.326 nan 8.190 nan 0.000 0.449 13 E N 0.430 120.330 120.200 -0.500 0.000 2.070 13 E HA -0.299 4.051 4.350 -0.001 0.000 0.197 13 E C 2.202 178.726 176.600 -0.126 0.000 1.004 13 E CA 1.818 58.057 56.400 -0.270 0.000 0.805 13 E CB -0.246 29.329 29.700 -0.209 0.000 0.744 13 E HN 0.554 nan 8.360 nan 0.000 0.451 14 A N 1.163 123.908 122.820 -0.126 0.000 1.877 14 A HA -0.096 4.223 4.320 -0.001 0.000 0.216 14 A C 2.435 179.979 177.584 -0.068 0.000 1.186 14 A CA 2.030 54.017 52.037 -0.083 0.000 0.620 14 A CB -0.881 18.076 19.000 -0.072 0.000 0.822 14 A HN 0.448 nan 8.150 nan 0.000 0.443 15 A N -0.639 122.138 122.820 -0.072 0.000 1.933 15 A HA 0.001 4.321 4.320 -0.001 0.000 0.218 15 A C 2.217 179.780 177.584 -0.035 0.000 1.175 15 A CA 1.758 53.769 52.037 -0.045 0.000 0.628 15 A CB -0.901 18.072 19.000 -0.045 0.000 0.814 15 A HN 0.391 nan 8.150 nan 0.000 0.444 16 V N 0.919 120.805 119.914 -0.046 0.000 2.343 16 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 16 V C 2.313 178.382 176.094 -0.042 0.000 1.051 16 V CA 2.151 64.430 62.300 -0.035 0.000 1.036 16 V CB -0.944 30.874 31.823 -0.008 0.000 0.654 16 V HN 0.552 nan 8.190 nan 0.000 0.451 17 N N 0.233 118.895 118.700 -0.063 0.000 2.166 17 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 17 N C 1.961 177.446 175.510 -0.041 0.000 1.019 17 N CA 1.330 54.324 53.050 -0.093 0.000 0.856 17 N CB -0.317 38.096 38.487 -0.124 0.000 0.993 17 N HN 0.493 nan 8.380 nan 0.000 0.426 18 R N 0.042 120.532 120.500 -0.016 0.000 2.075 18 R HA -0.030 4.309 4.340 -0.001 0.000 0.232 18 R C 1.968 178.303 176.300 0.058 0.000 1.126 18 R CA 0.569 56.680 56.100 0.019 0.000 0.963 18 R CB -0.485 29.822 30.300 0.012 0.000 0.858 18 R HN 0.124 nan 8.270 nan 0.000 0.435 19 L N 0.906 122.163 121.223 0.057 0.000 2.083 19 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 19 L C 2.145 179.128 176.870 0.188 0.000 1.083 19 L CA 1.403 56.315 54.840 0.120 0.000 0.752 19 L CB -0.276 41.814 42.059 0.051 0.000 0.899 19 L HN -0.100 nan 8.230 nan 0.000 0.433 20 V N 0.101 120.077 119.914 0.104 0.000 2.332 20 V HA -0.350 3.769 4.120 -0.001 0.000 0.248 20 V C 2.506 178.726 176.094 0.210 0.000 1.055 20 V CA 2.114 64.501 62.300 0.146 0.000 1.038 20 V CB -0.906 30.962 31.823 0.074 0.000 0.651 20 V HN 0.634 nan 8.190 nan 0.000 0.450 21 N N -0.080 118.714 118.700 0.158 0.000 2.104 21 N HA -0.187 4.552 4.740 -0.001 0.000 0.190 21 N C 1.896 177.499 175.510 0.154 0.000 1.024 21 N CA 1.614 54.757 53.050 0.154 0.000 0.853 21 N CB -0.080 38.472 38.487 0.109 0.000 1.008 21 N HN 0.368 nan 8.380 nan 0.000 0.424 22 L N 0.493 121.809 121.223 0.155 0.000 2.046 22 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 22 L C 1.890 178.816 176.870 0.094 0.000 1.077 22 L CA 1.466 56.376 54.840 0.116 0.000 0.747 22 L CB -0.803 41.324 42.059 0.112 0.000 0.896 22 L HN 0.180 nan 8.230 nan 0.000 0.432 23 Y N -0.802 119.560 120.300 0.103 0.000 2.163 23 Y HA -0.191 4.358 4.550 -0.001 0.000 0.288 23 Y C 2.361 178.342 175.900 0.134 0.000 1.136 23 Y CA 1.540 59.720 58.100 0.134 0.000 1.147 23 Y CB -0.447 38.113 38.460 0.166 0.000 0.987 23 Y HN 0.084 nan 8.280 nan 0.000 0.509 24 L N -0.693 120.687 121.223 0.262 0.000 2.131 24 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 24 L C 2.653 179.615 176.870 0.153 0.000 1.092 24 L CA 1.247 56.197 54.840 0.185 0.000 0.759 24 L CB -0.462 41.692 42.059 0.158 0.000 0.903 24 L HN 0.131 nan 8.230 nan 0.000 0.435 25 R N 0.204 120.788 120.500 0.140 0.000 2.092 25 R HA -0.140 4.199 4.340 -0.001 0.000 0.231 25 R C 2.331 178.681 176.300 0.083 0.000 1.119 25 R CA 1.363 57.549 56.100 0.144 0.000 0.970 25 R CB -0.180 30.182 30.300 0.102 0.000 0.864 25 R HN 0.354 nan 8.270 nan 0.000 0.440 26 A N -0.178 122.641 122.820 -0.001 0.000 1.902 26 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 26 A C 2.136 179.695 177.584 -0.042 0.000 1.181 26 A CA 1.872 53.829 52.037 -0.132 0.000 0.623 26 A CB -0.643 18.248 19.000 -0.182 0.000 0.818 26 A HN 0.408 nan 8.150 nan 0.000 0.443 27 S N -2.082 113.699 115.700 0.135 0.000 2.399 27 S HA -0.168 4.302 4.470 -0.001 0.000 0.231 27 S C 1.922 176.676 174.600 0.257 0.000 1.022 27 S CA 1.477 59.816 58.200 0.232 0.000 0.983 27 S CB -0.485 62.838 63.200 0.205 0.000 0.803 27 S HN 0.608 nan 8.310 nan 0.000 0.480 28 Y N 2.378 122.714 120.300 0.059 0.000 2.220 28 Y HA 0.031 4.580 4.550 -0.001 0.000 0.291 28 Y C 2.610 178.533 175.900 0.039 0.000 1.129 28 Y CA 1.580 59.719 58.100 0.065 0.000 1.161 28 Y CB -1.157 37.336 38.460 0.054 0.000 0.997 28 Y HN 0.255 nan 8.280 nan 0.000 0.522 29 T N 0.010 114.574 114.554 0.017 0.000 2.720 29 T HA -0.214 4.136 4.350 -0.001 0.000 0.268 29 T C 1.620 176.147 174.700 -0.289 0.000 1.037 29 T CA 1.902 63.885 62.100 -0.196 0.000 1.144 29 T CB -0.554 68.112 68.868 -0.337 0.000 0.864 29 T HN 0.279 nan 8.240 nan 0.000 0.444 30 Y N 0.760 120.999 120.300 -0.103 0.000 2.242 30 Y HA 0.072 4.622 4.550 -0.001 0.000 0.291 30 Y C 2.141 178.047 175.900 0.009 0.000 1.137 30 Y CA -0.261 57.772 58.100 -0.113 0.000 1.181 30 Y CB -0.956 37.502 38.460 -0.004 0.000 0.989 30 Y HN 0.085 nan 8.280 nan 0.000 0.527 31 L N -0.654 120.736 121.223 0.279 0.000 1.990 31 L HA -0.265 4.074 4.340 -0.001 0.000 0.213 31 L C 2.649 179.736 176.870 0.362 0.000 1.072 31 L CA 2.302 57.349 54.840 0.344 0.000 0.755 31 L CB -1.193 41.102 42.059 0.394 0.000 0.889 31 L HN 0.217 nan 8.230 nan 0.000 0.432 32 S N -1.287 114.550 115.700 0.228 0.000 2.368 32 S HA -0.153 4.317 4.470 -0.001 0.000 0.225 32 S C 2.078 176.809 174.600 0.218 0.000 1.030 32 S CA 1.443 59.805 58.200 0.270 0.000 0.999 32 S CB -0.402 62.965 63.200 0.280 0.000 0.844 32 S HN 0.451 nan 8.310 nan 0.000 0.459 33 L N 0.875 121.964 121.223 -0.224 0.000 2.012 33 L HA -0.041 4.298 4.340 -0.001 0.000 0.210 33 L C 2.817 179.821 176.870 0.223 0.000 1.073 33 L CA 1.418 55.984 54.840 -0.456 0.000 0.748 33 L CB -1.020 40.398 42.059 -1.069 0.000 0.891 33 L HN 0.497 nan 8.230 nan 0.000 0.431 34 G N -0.667 108.284 108.800 0.251 0.000 2.433 34 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.216 34 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.216 34 G C 1.350 176.308 174.900 0.096 0.000 1.186 34 G CA 0.614 45.853 45.100 0.232 0.000 0.779 34 G HN 0.221 nan 8.290 nan 0.000 0.543 35 F N -0.501 119.594 119.950 0.242 0.000 2.293 35 F HA 0.038 4.564 4.527 -0.001 0.000 0.300 35 F C 2.283 178.212 175.800 0.214 0.000 1.086 35 F CA 0.815 58.935 58.000 0.201 0.000 1.375 35 F CB -0.483 38.612 39.000 0.159 0.000 1.045 35 F HN 0.239 nan 8.300 nan 0.000 0.516 36 Y N -0.410 120.056 120.300 0.278 0.000 2.165 36 Y HA -0.273 4.276 4.550 -0.001 0.000 0.286 36 Y C 1.816 177.719 175.900 0.005 0.000 1.155 36 Y CA 1.573 59.753 58.100 0.132 0.000 1.164 36 Y CB -0.805 37.757 38.460 0.170 0.000 0.978 36 Y HN 0.001 nan 8.280 nan 0.000 0.513 37 F N 0.069 120.119 119.950 0.167 0.000 2.748 37 F HA 0.012 4.538 4.527 -0.001 0.000 0.299 37 F C 1.855 177.661 175.800 0.011 0.000 1.154 37 F CA 1.282 59.318 58.000 0.060 0.000 1.446 37 F CB -0.297 38.845 39.000 0.237 0.000 1.112 37 F HN 0.165 nan 8.300 nan 0.000 0.584 38 D N -0.224 120.256 120.400 0.133 0.000 2.348 38 D HA -0.019 4.620 4.640 -0.001 0.000 0.211 38 D C 0.830 177.168 176.300 0.064 0.000 0.998 38 D CA 0.120 54.172 54.000 0.088 0.000 0.873 38 D CB 0.184 41.011 40.800 0.046 0.000 0.925 38 D HN 0.003 nan 8.370 nan 0.000 0.524 39 R N 1.140 121.638 120.500 -0.003 0.000 2.638 39 R HA -0.022 4.317 4.340 -0.001 0.000 0.268 39 R C 1.299 177.582 176.300 -0.029 0.000 1.006 39 R CA 0.765 56.844 56.100 -0.035 0.000 1.088 39 R CB 0.379 30.588 30.300 -0.152 0.000 0.950 39 R HN 0.391 nan 8.270 nan 0.000 0.419 40 D N 1.964 122.363 120.400 -0.003 0.000 2.264 40 D HA -0.168 4.471 4.640 -0.001 0.000 0.208 40 D C 0.349 176.643 176.300 -0.011 0.000 0.966 40 D CA 1.083 55.086 54.000 0.006 0.000 0.864 40 D CB 0.035 40.844 40.800 0.015 0.000 0.933 40 D HN 0.602 nan 8.370 nan 0.000 0.499 41 D N 0.250 120.627 120.400 -0.039 0.000 2.342 41 D HA 0.027 4.667 4.640 -0.001 0.000 0.221 41 D C 1.415 177.667 176.300 -0.080 0.000 1.101 41 D CA -0.244 53.730 54.000 -0.043 0.000 0.837 41 D CB 0.689 41.469 40.800 -0.034 0.000 0.938 41 D HN 0.251 nan 8.370 nan 0.000 0.508 42 V N -0.196 119.650 119.914 -0.113 0.000 3.161 42 V HA 0.414 4.533 4.120 -0.001 0.000 0.221 42 V C 1.026 177.129 176.094 0.015 0.000 1.296 42 V CA 0.246 62.462 62.300 -0.140 0.000 1.306 42 V CB -0.443 31.084 31.823 -0.494 0.000 1.171 42 V HN 0.300 nan 8.190 nan 0.000 0.513 43 A N 0.903 123.741 122.820 0.031 0.000 2.739 43 A HA -0.198 4.122 4.320 -0.001 0.000 0.296 43 A C -0.108 177.559 177.584 0.139 0.000 1.488 43 A CA 0.863 52.950 52.037 0.084 0.000 0.746 43 A CB -2.130 16.908 19.000 0.063 0.000 1.047 43 A HN 0.484 nan 8.150 nan 0.000 0.477 44 L N -0.214 121.130 121.223 0.203 0.000 2.356 44 L HA 0.349 4.688 4.340 -0.001 0.000 0.264 44 L C 1.296 178.245 176.870 0.132 0.000 1.029 44 L CA 0.152 55.101 54.840 0.183 0.000 0.897 44 L CB 1.170 43.382 42.059 0.256 0.000 1.256 44 L HN 0.647 nan 8.230 nan 0.000 0.444 45 E N 2.236 122.481 120.200 0.075 0.000 2.106 45 E HA -0.132 4.217 4.350 -0.001 0.000 0.192 45 E C 1.953 178.570 176.600 0.028 0.000 0.984 45 E CA 1.328 57.780 56.400 0.087 0.000 0.806 45 E CB 0.226 29.948 29.700 0.037 0.000 0.750 45 E HN 0.794 nan 8.360 nan 0.000 0.458 46 G N 0.613 109.351 108.800 -0.103 0.000 2.476 46 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.218 46 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.218 46 G C 1.620 176.433 174.900 -0.144 0.000 1.164 46 G CA 1.274 46.267 45.100 -0.179 0.000 0.768 46 G HN 0.251 nan 8.290 nan 0.000 0.560 47 V N 0.329 120.142 119.914 -0.169 0.000 2.358 47 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 47 V C 2.964 179.008 176.094 -0.082 0.000 1.047 47 V CA 1.500 63.613 62.300 -0.311 0.000 1.035 47 V CB -0.960 30.483 31.823 -0.634 0.000 0.658 47 V HN 0.624 nan 8.190 nan 0.000 0.452 48 C N 0.405 119.775 119.300 0.116 0.000 2.393 48 C HA -0.273 4.186 4.460 -0.001 0.000 0.276 48 C C 2.740 177.794 174.990 0.106 0.000 1.215 48 C CA 1.784 60.914 59.018 0.187 0.000 1.743 48 C CB -1.377 26.456 27.740 0.154 0.000 2.044 48 C HN 0.669 nan 8.230 nan 0.000 0.464 49 H N -1.826 117.220 119.070 -0.040 0.000 2.389 49 H HA -0.123 4.432 4.556 -0.001 0.000 0.299 49 H C 2.171 177.461 175.328 -0.064 0.000 1.081 49 H CA 1.892 57.906 56.048 -0.057 0.000 1.345 49 H CB -0.520 29.205 29.762 -0.061 0.000 1.393 49 H HN 0.656 nan 8.280 nan 0.000 0.520 50 F N 1.131 120.982 119.950 -0.165 0.000 2.095 50 F HA -0.259 4.267 4.527 -0.002 0.000 0.298 50 F C 1.886 177.466 175.800 -0.365 0.000 1.104 50 F CA 1.342 59.137 58.000 -0.342 0.000 1.232 50 F CB -0.391 38.263 39.000 -0.577 0.000 0.987 50 F HN -0.069 nan 8.300 nan 0.000 0.475 51 F N 0.570 120.496 119.950 -0.040 0.000 2.293 51 F HA 0.048 4.575 4.527 -0.001 0.000 0.297 51 F C 2.442 178.129 175.800 -0.188 0.000 1.089 51 F CA 0.983 58.871 58.000 -0.185 0.000 1.377 51 F CB -0.951 38.080 39.000 0.051 0.000 1.051 51 F HN -0.147 nan 8.300 nan 0.000 0.511 52 R N 0.106 120.626 120.500 0.033 0.000 2.115 52 R HA -0.114 4.225 4.340 -0.001 0.000 0.230 52 R C 1.897 178.154 176.300 -0.072 0.000 1.111 52 R CA 1.071 57.154 56.100 -0.029 0.000 0.976 52 R CB -0.299 29.921 30.300 -0.133 0.000 0.870 52 R HN 0.238 nan 8.270 nan 0.000 0.445 53 E N 0.820 120.937 120.200 -0.138 0.000 2.152 53 E HA -0.090 4.259 4.350 -0.001 0.000 0.192 53 E C 2.100 178.568 176.600 -0.220 0.000 0.983 53 E CA 0.745 57.052 56.400 -0.155 0.000 0.818 53 E CB -0.014 29.588 29.700 -0.163 0.000 0.758 53 E HN 0.340 nan 8.360 nan 0.000 0.467 54 L N 0.551 121.537 121.223 -0.394 0.000 2.141 54 L HA -0.115 4.225 4.340 -0.001 0.000 0.209 54 L C 2.518 179.265 176.870 -0.205 0.000 1.094 54 L CA 0.888 55.423 54.840 -0.508 0.000 0.763 54 L CB -0.487 40.864 42.059 -1.179 0.000 0.908 54 L HN 0.043 nan 8.230 nan 0.000 0.437 55 A N 0.255 123.056 122.820 -0.030 0.000 1.883 55 A HA -0.303 4.017 4.320 -0.001 0.000 0.217 55 A C 2.284 179.938 177.584 0.117 0.000 1.186 55 A CA 2.166 54.307 52.037 0.173 0.000 0.624 55 A CB -0.603 18.511 19.000 0.191 0.000 0.822 55 A HN 0.521 nan 8.150 nan 0.000 0.444 56 E N -0.538 119.691 120.200 0.048 0.000 2.077 56 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 56 E C 1.785 178.413 176.600 0.047 0.000 0.989 56 E CA 1.303 57.729 56.400 0.043 0.000 0.800 56 E CB -0.152 29.554 29.700 0.011 0.000 0.746 56 E HN 0.530 nan 8.360 nan 0.000 0.452 57 E N 0.959 121.167 120.200 0.012 0.000 2.070 57 E HA -0.202 4.147 4.350 -0.001 0.000 0.197 57 E C 2.018 178.703 176.600 0.141 0.000 1.004 57 E CA 1.032 57.452 56.400 0.033 0.000 0.805 57 E CB -0.185 29.500 29.700 -0.024 0.000 0.744 57 E HN 0.195 nan 8.360 nan 0.000 0.451 58 K N 0.663 121.182 120.400 0.198 0.000 2.026 58 K HA -0.120 4.200 4.320 -0.001 0.000 0.208 58 K C 2.146 178.962 176.600 0.360 0.000 1.048 58 K CA 0.922 57.418 56.287 0.348 0.000 0.929 58 K CB -0.556 32.111 32.500 0.277 0.000 0.713 58 K HN 0.122 nan 8.250 nan 0.000 0.439 59 R N 1.601 122.239 120.500 0.230 0.000 2.096 59 R HA -0.171 4.168 4.340 -0.001 0.000 0.240 59 R C 1.914 178.313 176.300 0.164 0.000 1.139 59 R CA 1.912 58.122 56.100 0.183 0.000 0.952 59 R CB -0.099 30.276 30.300 0.124 0.000 0.854 59 R HN 0.281 nan 8.270 nan 0.000 0.436 60 E N -0.909 119.366 120.200 0.126 0.000 2.153 60 E HA -0.131 4.218 4.350 -0.001 0.000 0.194 60 E C 1.885 178.539 176.600 0.089 0.000 0.988 60 E CA 0.998 57.446 56.400 0.080 0.000 0.811 60 E CB -0.208 29.512 29.700 0.033 0.000 0.746 60 E HN 0.626 nan 8.360 nan 0.000 0.466 61 G N 1.440 110.331 108.800 0.152 0.000 2.459 61 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.217 61 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.217 61 G C 1.717 176.691 174.900 0.123 0.000 1.183 61 G CA 1.028 46.215 45.100 0.145 0.000 0.776 61 G HN 0.366 nan 8.290 nan 0.000 0.552 62 A N 0.947 123.874 122.820 0.179 0.000 1.892 62 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 62 A C 2.189 179.864 177.584 0.152 0.000 1.188 62 A CA 2.191 54.332 52.037 0.173 0.000 0.631 62 A CB -0.512 18.639 19.000 0.250 0.000 0.822 62 A HN 0.504 nan 8.150 nan 0.000 0.447 63 E N -1.235 119.050 120.200 0.141 0.000 2.150 63 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 63 E C 2.279 178.945 176.600 0.110 0.000 0.985 63 E CA 0.973 57.442 56.400 0.115 0.000 0.814 63 E CB -0.130 29.620 29.700 0.084 0.000 0.752 63 E HN 0.629 nan 8.360 nan 0.000 0.466 64 R N 0.789 121.370 120.500 0.135 0.000 2.090 64 R HA -0.071 4.268 4.340 -0.001 0.000 0.228 64 R C 2.210 178.686 176.300 0.293 0.000 1.110 64 R CA 0.668 56.881 56.100 0.187 0.000 0.973 64 R CB -0.046 30.344 30.300 0.151 0.000 0.869 64 R HN 0.149 nan 8.270 nan 0.000 0.440 65 L N 0.520 121.910 121.223 0.278 0.000 2.046 65 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 65 L C 2.323 179.197 176.870 0.007 0.000 1.077 65 L CA 1.143 56.059 54.840 0.126 0.000 0.747 65 L CB -0.287 41.783 42.059 0.018 0.000 0.896 65 L HN 0.263 nan 8.230 nan 0.000 0.432 66 L N -0.306 120.946 121.223 0.048 0.000 2.046 66 L HA -0.245 4.094 4.340 -0.001 0.000 0.208 66 L C 2.699 179.569 176.870 -0.001 0.000 1.077 66 L CA 1.359 56.217 54.840 0.031 0.000 0.747 66 L CB -0.462 41.666 42.059 0.114 0.000 0.896 66 L HN 0.244 nan 8.230 nan 0.000 0.432 67 K N -0.093 120.316 120.400 0.015 0.000 2.057 67 K HA -0.244 4.076 4.320 -0.001 0.000 0.207 67 K C 2.283 178.837 176.600 -0.077 0.000 1.049 67 K CA 1.429 57.709 56.287 -0.010 0.000 0.931 67 K CB -0.074 32.438 32.500 0.020 0.000 0.714 67 K HN 0.147 nan 8.250 nan 0.000 0.440 68 M N 1.203 120.718 119.600 -0.142 0.000 2.086 68 M HA -0.214 4.266 4.480 -0.001 0.000 0.261 68 M C 2.161 178.283 176.300 -0.297 0.000 1.067 68 M CA 1.852 56.967 55.300 -0.308 0.000 1.116 68 M CB -0.564 31.565 32.600 -0.784 0.000 1.348 68 M HN 0.218 nan 8.290 nan 0.000 0.407 69 Q N 1.213 120.883 119.800 -0.217 0.000 2.047 69 Q HA -0.253 4.087 4.340 -0.001 0.000 0.211 69 Q C 1.588 177.471 176.000 -0.195 0.000 1.005 69 Q CA 2.889 58.597 55.803 -0.160 0.000 0.866 69 Q CB -0.513 28.180 28.738 -0.074 0.000 0.938 69 Q HN 0.552 nan 8.270 nan 0.000 0.414 70 N N -0.241 118.379 118.700 -0.133 0.000 2.149 70 N HA -0.167 4.572 4.740 -0.001 0.000 0.188 70 N C 1.679 177.095 175.510 -0.157 0.000 1.019 70 N CA 1.546 54.527 53.050 -0.115 0.000 0.857 70 N CB -0.248 38.202 38.487 -0.061 0.000 0.997 70 N HN 0.458 nan 8.380 nan 0.000 0.426 71 Q N -0.153 119.538 119.800 -0.182 0.000 2.181 71 Q HA -0.001 4.338 4.340 -0.001 0.000 0.205 71 Q C 1.233 177.052 176.000 -0.300 0.000 0.980 71 Q CA 0.927 56.610 55.803 -0.199 0.000 0.862 71 Q CB 0.113 28.747 28.738 -0.173 0.000 0.905 71 Q HN 0.212 nan 8.270 nan 0.000 0.429 72 R N -0.939 119.290 120.500 -0.452 0.000 2.317 72 R HA 0.099 4.438 4.340 -0.001 0.000 0.208 72 R C 0.974 176.972 176.300 -0.502 0.000 0.914 72 R CA 0.752 56.453 56.100 -0.665 0.000 1.060 72 R CB 0.534 30.014 30.300 -1.366 0.000 1.015 72 R HN 0.410 nan 8.270 nan 0.000 0.498 73 G N 0.423 109.040 108.800 -0.304 0.000 2.136 73 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.242 73 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.242 73 G C 0.475 175.340 174.900 -0.058 0.000 0.989 73 G CA 0.132 45.144 45.100 -0.147 0.000 0.682 73 G HN 0.578 nan 8.290 nan 0.000 0.522 74 G N -0.973 107.792 108.800 -0.058 0.000 2.547 74 G HA2 0.594 4.553 3.960 -0.001 0.000 0.291 74 G HA3 0.594 4.553 3.960 -0.001 0.000 0.291 74 G C -0.014 174.895 174.900 0.016 0.000 1.211 74 G CA -0.269 44.898 45.100 0.110 0.000 0.950 74 G HN 0.572 nan 8.290 nan 0.000 0.504 75 R N 0.198 120.704 120.500 0.010 0.000 2.360 75 R HA 0.533 4.873 4.340 -0.001 0.000 0.318 75 R C 0.137 176.388 176.300 -0.082 0.000 0.950 75 R CA -0.622 55.460 56.100 -0.030 0.000 0.837 75 R CB 0.945 31.233 30.300 -0.021 0.000 1.165 75 R HN 0.626 nan 8.270 nan 0.000 0.458 76 A N 5.588 128.334 122.820 -0.124 0.000 2.546 76 A HA 0.251 4.570 4.320 -0.001 0.000 0.243 76 A C -0.511 176.851 177.584 -0.369 0.000 1.063 76 A CA 0.272 52.129 52.037 -0.301 0.000 0.757 76 A CB 0.114 18.930 19.000 -0.306 0.000 0.991 76 A HN 0.728 nan 8.150 nan 0.000 0.503 77 L N 2.493 123.414 121.223 -0.504 0.000 2.438 77 L HA 0.499 4.838 4.340 -0.001 0.000 0.270 77 L C -1.290 175.307 176.870 -0.454 0.000 0.972 77 L CA -0.338 54.297 54.840 -0.342 0.000 0.831 77 L CB 1.830 43.803 42.059 -0.142 0.000 1.273 77 L HN 0.665 nan 8.230 nan 0.000 0.405 78 F N 1.625 121.584 119.950 0.015 0.000 2.422 78 F HA 0.545 5.071 4.527 -0.001 0.000 0.333 78 F C 0.456 176.265 175.800 0.016 0.000 1.095 78 F CA -0.504 57.506 58.000 0.017 0.000 1.038 78 F CB 1.570 40.578 39.000 0.013 0.000 1.156 78 F HN 0.365 nan 8.300 nan 0.000 0.483 79 Q N 0.820 120.739 119.800 0.197 0.000 2.418 79 Q HA 0.281 4.620 4.340 -0.001 0.000 0.276 79 Q C -1.025 175.045 176.000 0.117 0.000 1.081 79 Q CA -1.004 54.874 55.803 0.125 0.000 0.864 79 Q CB 1.337 30.122 28.738 0.079 0.000 1.384 79 Q HN 0.501 nan 8.270 nan 0.000 0.467 80 D N 1.190 121.639 120.400 0.082 0.000 2.525 80 D HA 0.015 4.655 4.640 -0.001 0.000 0.235 80 D C -0.206 176.143 176.300 0.082 0.000 1.137 80 D CA 0.676 54.717 54.000 0.069 0.000 0.868 80 D CB 0.534 41.368 40.800 0.057 0.000 1.180 80 D HN 0.215 nan 8.370 nan 0.000 0.465 81 L N 2.917 124.187 121.223 0.078 0.000 2.255 81 L HA 0.142 4.481 4.340 -0.001 0.000 0.289 81 L C 0.914 177.883 176.870 0.165 0.000 1.046 81 L CA -0.511 54.395 54.840 0.109 0.000 0.816 81 L CB 0.717 42.812 42.059 0.060 0.000 1.197 81 L HN 0.137 nan 8.230 nan 0.000 0.427 82 Q N 3.301 123.189 119.800 0.148 0.000 2.361 82 Q HA 0.052 4.391 4.340 -0.001 0.000 0.276 82 Q C 0.010 176.120 176.000 0.184 0.000 1.022 82 Q CA 0.071 55.953 55.803 0.132 0.000 0.898 82 Q CB 0.937 29.724 28.738 0.081 0.000 1.246 82 Q HN 0.462 nan 8.270 nan 0.000 0.410 83 K N 1.939 122.405 120.400 0.111 0.000 2.276 83 K HA 0.292 4.612 4.320 -0.001 0.000 0.259 83 K C -2.465 174.079 176.600 -0.093 0.000 1.001 83 K CA -1.423 54.845 56.287 -0.033 0.000 0.927 83 K CB -0.164 32.305 32.500 -0.052 0.000 0.969 83 K HN 0.162 nan 8.250 nan 0.000 0.490 84 P HA -0.066 nan 4.420 nan 0.000 0.271 84 P C 0.184 177.455 177.300 -0.048 0.000 1.233 84 P CA -0.297 62.773 63.100 -0.049 0.000 0.789 84 P CB 0.677 32.414 31.700 0.061 0.000 0.951 85 S N -1.115 114.584 115.700 -0.003 0.000 2.562 85 S HA 0.017 4.487 4.470 -0.001 0.000 0.221 85 S C 0.436 174.867 174.600 -0.282 0.000 0.975 85 S CA 0.369 58.514 58.200 -0.092 0.000 0.918 85 S CB -0.380 62.805 63.200 -0.025 0.000 0.772 85 S HN 0.495 nan 8.310 nan 0.000 0.531 86 Q N -0.369 119.094 119.800 -0.562 0.000 2.421 86 Q HA 0.394 4.733 4.340 -0.001 0.000 0.280 86 Q C -0.879 174.602 176.000 -0.864 0.000 1.085 86 Q CA -0.737 54.508 55.803 -0.929 0.000 0.807 86 Q CB 1.980 29.722 28.738 -1.660 0.000 1.405 86 Q HN 0.043 nan 8.270 nan 0.000 0.419 87 D N 0.522 120.540 120.400 -0.637 0.000 2.338 87 D HA 0.058 4.697 4.640 -0.001 0.000 0.208 87 D C -0.443 175.577 176.300 -0.467 0.000 0.997 87 D CA 0.961 54.717 54.000 -0.408 0.000 0.880 87 D CB 0.815 41.477 40.800 -0.230 0.000 0.980 87 D HN 0.389 nan 8.370 nan 0.000 0.509 88 E N -0.926 118.845 120.200 -0.715 0.000 2.293 88 E HA 0.259 4.609 4.350 -0.001 0.000 0.270 88 E C -0.556 175.405 176.600 -1.066 0.000 0.879 88 E CA -0.565 55.399 56.400 -0.726 0.000 0.756 88 E CB 1.932 31.452 29.700 -0.300 0.000 1.208 88 E HN 0.014 nan 8.360 nan 0.000 0.428 89 W N 1.720 122.225 121.300 -1.326 0.000 2.846 89 W HA 0.317 4.977 4.660 -0.001 0.000 0.391 89 W C 0.978 177.226 176.519 -0.453 0.000 1.011 89 W CA 0.250 57.118 57.345 -0.794 0.000 1.832 89 W CB 1.047 30.096 29.460 -0.685 0.000 1.151 89 W HN 0.965 nan 8.180 nan 0.000 0.582 90 G N 1.194 109.868 108.800 -0.211 0.000 2.528 90 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.262 90 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.262 90 G C 0.362 175.428 174.900 0.277 0.000 1.200 90 G CA 0.396 45.549 45.100 0.088 0.000 0.951 90 G HN 0.270 nan 8.290 nan 0.000 0.566 91 T N -3.636 111.085 114.554 0.279 0.000 2.884 91 T HA 0.630 4.979 4.350 -0.001 0.000 0.277 91 T C 1.560 176.536 174.700 0.460 0.000 0.976 91 T CA 0.921 63.229 62.100 0.346 0.000 0.956 91 T CB 1.198 70.191 68.868 0.208 0.000 1.113 91 T HN 0.951 nan 8.240 nan 0.000 0.554 92 T N 2.296 117.089 114.554 0.398 0.000 2.720 92 T HA -0.009 4.340 4.350 -0.001 0.000 0.268 92 T C -0.722 174.061 174.700 0.139 0.000 1.037 92 T CA 1.590 63.840 62.100 0.250 0.000 1.144 92 T CB -1.245 67.665 68.868 0.069 0.000 0.864 92 T HN 0.632 nan 8.240 nan 0.000 0.444 93 P HA -0.041 nan 4.420 nan 0.000 0.217 93 P C 0.876 178.243 177.300 0.111 0.000 1.150 93 P CA 1.093 64.218 63.100 0.041 0.000 0.832 93 P CB -0.057 31.647 31.700 0.007 0.000 0.787 94 D N 0.429 120.925 120.400 0.160 0.000 2.104 94 D HA -0.141 4.498 4.640 -0.001 0.000 0.194 94 D C 2.138 178.575 176.300 0.228 0.000 0.994 94 D CA 1.806 55.911 54.000 0.174 0.000 0.830 94 D CB -0.792 40.114 40.800 0.176 0.000 0.959 94 D HN 0.112 nan 8.370 nan 0.000 0.452 95 A N 0.507 123.520 122.820 0.322 0.000 1.898 95 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 95 A C 2.159 179.933 177.584 0.316 0.000 1.181 95 A CA 1.559 53.792 52.037 0.327 0.000 0.620 95 A CB -0.467 18.874 19.000 0.567 0.000 0.819 95 A HN 0.134 nan 8.150 nan 0.000 0.442 96 M N -0.048 119.745 119.600 0.322 0.000 2.175 96 M HA -0.056 4.424 4.480 -0.001 0.000 0.264 96 M C 1.811 178.234 176.300 0.205 0.000 1.063 96 M CA 1.637 57.111 55.300 0.290 0.000 1.119 96 M CB -0.377 32.300 32.600 0.128 0.000 1.377 96 M HN 0.372 nan 8.290 nan 0.000 0.415 97 K N -0.558 119.931 120.400 0.148 0.000 2.032 97 K HA -0.116 4.204 4.320 -0.001 0.000 0.209 97 K C 1.979 178.651 176.600 0.120 0.000 1.048 97 K CA 1.527 57.883 56.287 0.115 0.000 0.927 97 K CB -0.477 32.078 32.500 0.091 0.000 0.712 97 K HN 0.428 nan 8.250 nan 0.000 0.441 98 A N 1.453 124.355 122.820 0.136 0.000 1.933 98 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 98 A C 2.360 179.988 177.584 0.074 0.000 1.175 98 A CA 1.822 53.927 52.037 0.112 0.000 0.628 98 A CB -0.652 18.452 19.000 0.173 0.000 0.814 98 A HN 0.347 nan 8.150 nan 0.000 0.444 99 A N -0.092 122.812 122.820 0.139 0.000 1.902 99 A HA -0.064 4.255 4.320 -0.001 0.000 0.217 99 A C 2.113 179.822 177.584 0.208 0.000 1.181 99 A CA 1.502 53.689 52.037 0.249 0.000 0.623 99 A CB -0.561 18.780 19.000 0.568 0.000 0.818 99 A HN 0.494 nan 8.150 nan 0.000 0.443 100 I N -0.522 120.155 120.570 0.178 0.000 2.252 100 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 100 I C 2.344 178.514 176.117 0.087 0.000 1.102 100 I CA 0.928 62.306 61.300 0.130 0.000 1.385 100 I CB -0.306 37.758 38.000 0.106 0.000 1.064 100 I HN 0.146 nan 8.210 nan 0.000 0.414 101 V N 0.834 120.791 119.914 0.072 0.000 2.282 101 V HA -0.313 3.806 4.120 -0.001 0.000 0.249 101 V C 2.437 178.549 176.094 0.029 0.000 1.057 101 V CA 1.922 64.250 62.300 0.047 0.000 1.032 101 V CB -0.626 31.224 31.823 0.044 0.000 0.645 101 V HN 0.360 nan 8.190 nan 0.000 0.447 102 L N 0.249 121.481 121.223 0.014 0.000 1.989 102 L HA -0.160 4.179 4.340 -0.001 0.000 0.211 102 L C 2.556 179.422 176.870 -0.007 0.000 1.071 102 L CA 2.000 56.820 54.840 -0.033 0.000 0.749 102 L CB -0.957 41.022 42.059 -0.133 0.000 0.890 102 L HN 0.300 nan 8.230 nan 0.000 0.431 103 E N 0.170 120.402 120.200 0.052 0.000 2.085 103 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 103 E C 2.168 178.797 176.600 0.049 0.000 0.994 103 E CA 1.441 57.879 56.400 0.064 0.000 0.801 103 E CB -0.301 29.466 29.700 0.111 0.000 0.743 103 E HN 0.582 nan 8.360 nan 0.000 0.453 104 K N 0.845 121.274 120.400 0.048 0.000 2.103 104 K HA -0.112 4.207 4.320 -0.001 0.000 0.207 104 K C 2.379 178.999 176.600 0.033 0.000 1.048 104 K CA 1.573 57.884 56.287 0.041 0.000 0.930 104 K CB -0.238 32.285 32.500 0.038 0.000 0.716 104 K HN 0.125 nan 8.250 nan 0.000 0.444 105 S N 1.254 116.966 115.700 0.020 0.000 2.399 105 S HA -0.103 4.366 4.470 -0.001 0.000 0.231 105 S C 2.031 176.639 174.600 0.014 0.000 1.022 105 S CA 0.808 59.016 58.200 0.013 0.000 0.983 105 S CB -0.475 62.726 63.200 0.001 0.000 0.803 105 S HN 0.184 nan 8.310 nan 0.000 0.480 106 L N 1.457 122.677 121.223 -0.005 0.000 2.005 106 L HA -0.053 4.286 4.340 -0.001 0.000 0.207 106 L C 2.906 179.827 176.870 0.085 0.000 1.072 106 L CA 1.617 56.456 54.840 -0.002 0.000 0.744 106 L CB -0.899 41.081 42.059 -0.130 0.000 0.895 106 L HN 0.346 nan 8.230 nan 0.000 0.433 107 N N -0.037 118.713 118.700 0.083 0.000 2.137 107 N HA -0.273 4.467 4.740 -0.001 0.000 0.190 107 N C 1.859 177.415 175.510 0.077 0.000 1.017 107 N CA 1.423 54.531 53.050 0.096 0.000 0.859 107 N CB -0.029 38.503 38.487 0.075 0.000 1.002 107 N HN 0.176 nan 8.380 nan 0.000 0.428 108 Q N -0.106 119.729 119.800 0.058 0.000 2.119 108 Q HA 0.150 4.489 4.340 -0.001 0.000 0.201 108 Q C 1.832 177.867 176.000 0.057 0.000 0.972 108 Q CA 1.647 57.479 55.803 0.049 0.000 0.847 108 Q CB -0.583 28.177 28.738 0.037 0.000 0.903 108 Q HN 0.414 nan 8.270 nan 0.000 0.433 109 A N 0.011 122.870 122.820 0.065 0.000 1.933 109 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 109 A C 2.050 179.684 177.584 0.083 0.000 1.175 109 A CA 1.334 53.414 52.037 0.072 0.000 0.628 109 A CB -0.697 18.354 19.000 0.084 0.000 0.814 109 A HN 0.445 nan 8.150 nan 0.000 0.444 110 L N -0.735 120.550 121.223 0.104 0.000 2.056 110 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 110 L C 2.542 179.476 176.870 0.107 0.000 1.078 110 L CA 0.992 55.891 54.840 0.098 0.000 0.749 110 L CB -0.510 41.628 42.059 0.132 0.000 0.901 110 L HN 0.364 nan 8.230 nan 0.000 0.433 111 L N -0.622 120.655 121.223 0.089 0.000 2.056 111 L HA -0.202 4.137 4.340 -0.001 0.000 0.207 111 L C 2.276 179.206 176.870 0.100 0.000 1.078 111 L CA 0.986 55.873 54.840 0.079 0.000 0.749 111 L CB -0.652 41.432 42.059 0.042 0.000 0.901 111 L HN 0.271 nan 8.230 nan 0.000 0.433 112 D N 0.199 120.645 120.400 0.075 0.000 2.104 112 D HA -0.209 4.431 4.640 -0.001 0.000 0.194 112 D C 2.053 178.392 176.300 0.065 0.000 0.994 112 D CA 1.195 55.232 54.000 0.062 0.000 0.830 112 D CB -0.221 40.605 40.800 0.044 0.000 0.959 112 D HN 0.134 nan 8.370 nan 0.000 0.452 113 L N 0.394 121.657 121.223 0.067 0.000 2.141 113 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 113 L C 2.155 179.062 176.870 0.063 0.000 1.094 113 L CA 1.650 56.519 54.840 0.048 0.000 0.763 113 L CB -0.543 41.536 42.059 0.034 0.000 0.908 113 L HN 0.147 nan 8.230 nan 0.000 0.437 114 H N -0.253 118.835 119.070 0.029 0.000 2.321 114 H HA -0.117 4.439 4.556 -0.001 0.000 0.300 114 H C 1.972 177.316 175.328 0.027 0.000 1.087 114 H CA 1.629 57.699 56.048 0.036 0.000 1.319 114 H CB 0.158 29.942 29.762 0.038 0.000 1.379 114 H HN 0.448 nan 8.280 nan 0.000 0.501 115 A N 1.234 124.161 122.820 0.179 0.000 1.908 115 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 115 A C 2.574 180.173 177.584 0.025 0.000 1.181 115 A CA 1.528 53.632 52.037 0.112 0.000 0.627 115 A CB -0.880 18.176 19.000 0.093 0.000 0.818 115 A HN 0.431 nan 8.150 nan 0.000 0.445 116 L N 0.041 121.269 121.223 0.008 0.000 2.046 116 L HA -0.025 4.314 4.340 -0.001 0.000 0.208 116 L C 2.395 179.236 176.870 -0.048 0.000 1.077 116 L CA 2.383 57.211 54.840 -0.021 0.000 0.747 116 L CB -1.041 41.003 42.059 -0.025 0.000 0.896 116 L HN 0.292 nan 8.230 nan 0.000 0.432 117 G N -1.955 106.800 108.800 -0.075 0.000 2.408 117 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.217 117 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.217 117 G C 1.707 176.546 174.900 -0.101 0.000 1.150 117 G CA 0.884 45.928 45.100 -0.094 0.000 0.776 117 G HN 0.479 nan 8.290 nan 0.000 0.542 118 S N 0.636 116.258 115.700 -0.130 0.000 2.383 118 S HA 0.102 4.572 4.470 -0.001 0.000 0.227 118 S C 2.711 177.295 174.600 -0.026 0.000 1.026 118 S CA 1.495 59.650 58.200 -0.075 0.000 0.981 118 S CB -0.390 62.790 63.200 -0.034 0.000 0.818 118 S HN 0.512 nan 8.310 nan 0.000 0.472 119 A N 1.023 123.831 122.820 -0.020 0.000 1.902 119 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 119 A C 2.102 179.675 177.584 -0.018 0.000 1.181 119 A CA 1.268 53.297 52.037 -0.012 0.000 0.623 119 A CB -0.555 18.439 19.000 -0.011 0.000 0.818 119 A HN 0.569 nan 8.150 nan 0.000 0.443 120 Q N -1.213 118.570 119.800 -0.030 0.000 2.482 120 Q HA 0.275 4.614 4.340 -0.001 0.000 0.209 120 Q C 0.709 176.699 176.000 -0.018 0.000 0.961 120 Q CA 0.658 56.443 55.803 -0.031 0.000 0.945 120 Q CB -0.410 28.298 28.738 -0.049 0.000 1.012 120 Q HN 0.927 nan 8.270 nan 0.000 0.515 121 A N 2.301 125.112 122.820 -0.014 0.000 2.519 121 A HA -0.179 4.140 4.320 -0.001 0.000 0.297 121 A C -0.205 177.384 177.584 0.008 0.000 1.472 121 A CA 0.941 52.976 52.037 -0.003 0.000 0.739 121 A CB -1.609 17.393 19.000 0.003 0.000 1.096 121 A HN 0.262 nan 8.150 nan 0.000 0.414 122 D N 0.260 120.662 120.400 0.004 0.000 2.456 122 D HA 0.377 5.016 4.640 -0.001 0.000 0.287 122 D C -1.049 175.277 176.300 0.044 0.000 1.186 122 D CA -1.472 52.552 54.000 0.040 0.000 0.916 122 D CB 0.796 41.623 40.800 0.046 0.000 1.029 122 D HN 0.260 nan 8.370 nan 0.000 0.498 123 P HA -0.149 nan 4.420 nan 0.000 0.221 123 P C 1.395 178.745 177.300 0.083 0.000 1.150 123 P CA 0.725 63.854 63.100 0.049 0.000 0.800 123 P CB 0.274 32.006 31.700 0.053 0.000 0.787 124 H N 0.467 119.565 119.070 0.047 0.000 2.293 124 H HA -0.103 4.452 4.556 -0.001 0.000 0.300 124 H C 1.933 177.330 175.328 0.115 0.000 1.082 124 H CA 1.301 57.391 56.048 0.070 0.000 1.308 124 H CB -0.576 29.211 29.762 0.040 0.000 1.375 124 H HN -0.060 nan 8.280 nan 0.000 0.495 125 L N 0.850 122.196 121.223 0.205 0.000 2.012 125 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 125 L C 2.823 179.765 176.870 0.121 0.000 1.073 125 L CA 1.821 56.768 54.840 0.179 0.000 0.748 125 L CB -1.007 41.139 42.059 0.145 0.000 0.891 125 L HN 0.348 nan 8.230 nan 0.000 0.431 126 C N -0.444 118.858 119.300 0.002 0.000 2.425 126 C HA -0.136 4.323 4.460 -0.001 0.000 0.277 126 C C 2.453 177.494 174.990 0.086 0.000 1.280 126 C CA 0.896 59.869 59.018 -0.075 0.000 1.744 126 C CB -1.123 26.464 27.740 -0.256 0.000 1.989 126 C HN 0.714 nan 8.230 nan 0.000 0.491 127 D N -0.014 120.411 120.400 0.042 0.000 2.097 127 D HA -0.177 4.462 4.640 -0.001 0.000 0.197 127 D C 1.872 178.175 176.300 0.004 0.000 0.984 127 D CA 1.144 55.149 54.000 0.008 0.000 0.826 127 D CB -0.366 40.406 40.800 -0.046 0.000 0.973 127 D HN 0.450 nan 8.370 nan 0.000 0.460 128 F N 0.805 120.688 119.950 -0.112 0.000 2.091 128 F HA -0.174 4.352 4.527 -0.001 0.000 0.299 128 F C 1.892 177.799 175.800 0.178 0.000 1.103 128 F CA 1.484 59.493 58.000 0.016 0.000 1.228 128 F CB -0.280 38.716 39.000 -0.006 0.000 0.984 128 F HN 0.024 nan 8.300 nan 0.000 0.477 129 L N -0.049 121.259 121.223 0.143 0.000 2.093 129 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 129 L C 2.396 179.324 176.870 0.097 0.000 1.085 129 L CA 1.582 56.506 54.840 0.140 0.000 0.755 129 L CB -0.769 41.417 42.059 0.212 0.000 0.904 129 L HN 0.193 nan 8.230 nan 0.000 0.435 130 E N -0.407 119.827 120.200 0.058 0.000 2.106 130 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 130 E C 2.336 178.872 176.600 -0.108 0.000 0.984 130 E CA 1.297 57.699 56.400 0.003 0.000 0.806 130 E CB 0.015 29.732 29.700 0.028 0.000 0.750 130 E HN 0.341 nan 8.360 nan 0.000 0.458 131 S N -0.108 115.452 115.700 -0.234 0.000 2.371 131 S HA -0.078 4.391 4.470 -0.001 0.000 0.224 131 S C 1.562 175.772 174.600 -0.650 0.000 1.029 131 S CA 0.811 58.731 58.200 -0.467 0.000 0.978 131 S CB -0.045 62.755 63.200 -0.667 0.000 0.833 131 S HN 0.346 nan 8.310 nan 0.000 0.466 132 H N -1.756 117.146 119.070 -0.279 0.000 2.750 132 H HA 0.345 4.900 4.556 -0.001 0.000 0.263 132 H C 0.667 175.575 175.328 -0.700 0.000 0.964 132 H CA 0.299 56.043 56.048 -0.506 0.000 1.205 132 H CB 0.296 29.615 29.762 -0.737 0.000 1.454 132 H HN 0.384 nan 8.280 nan 0.000 0.503 133 F N -0.666 119.217 119.950 -0.111 0.000 2.421 133 F HA 0.154 4.680 4.527 -0.001 0.000 0.270 133 F C 2.179 177.982 175.800 0.004 0.000 0.894 133 F CA -0.051 57.932 58.000 -0.028 0.000 1.128 133 F CB -0.025 38.958 39.000 -0.029 0.000 1.011 133 F HN -0.133 nan 8.300 nan 0.000 0.788 134 L N 0.215 121.532 121.223 0.157 0.000 1.994 134 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 134 L C 1.985 178.881 176.870 0.043 0.000 1.071 134 L CA 1.923 56.820 54.840 0.096 0.000 0.745 134 L CB -0.471 41.614 42.059 0.044 0.000 0.892 134 L HN 0.142 nan 8.230 nan 0.000 0.431 135 D N -0.121 120.280 120.400 0.001 0.000 2.144 135 D HA -0.167 4.472 4.640 -0.001 0.000 0.200 135 D C 2.084 178.378 176.300 -0.010 0.000 0.978 135 D CA 0.936 54.928 54.000 -0.014 0.000 0.833 135 D CB 0.159 40.937 40.800 -0.038 0.000 0.961 135 D HN 0.251 nan 8.370 nan 0.000 0.470 136 E N 0.153 120.342 120.200 -0.017 0.000 2.097 136 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 136 E C 1.967 178.584 176.600 0.028 0.000 1.000 136 E CA 0.878 57.271 56.400 -0.013 0.000 0.804 136 E CB -0.020 29.651 29.700 -0.047 0.000 0.740 136 E HN 0.349 nan 8.360 nan 0.000 0.454 137 E N 0.556 120.800 120.200 0.072 0.000 2.031 137 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 137 E C 2.394 179.025 176.600 0.052 0.000 0.994 137 E CA 0.582 57.035 56.400 0.087 0.000 0.800 137 E CB -0.494 29.280 29.700 0.124 0.000 0.752 137 E HN 0.083 nan 8.360 nan 0.000 0.447 138 V N 1.757 121.693 119.914 0.037 0.000 2.282 138 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 138 V C 2.362 178.461 176.094 0.010 0.000 1.057 138 V CA 2.128 64.440 62.300 0.020 0.000 1.032 138 V CB -0.409 31.419 31.823 0.008 0.000 0.645 138 V HN 0.257 nan 8.190 nan 0.000 0.447 139 K N -0.746 119.656 120.400 0.002 0.000 2.057 139 K HA -0.199 4.120 4.320 -0.001 0.000 0.207 139 K C 2.068 178.664 176.600 -0.007 0.000 1.049 139 K CA 1.574 57.856 56.287 -0.009 0.000 0.931 139 K CB -0.358 32.133 32.500 -0.016 0.000 0.714 139 K HN 0.306 nan 8.250 nan 0.000 0.440 140 L N 1.321 122.548 121.223 0.006 0.000 2.056 140 L HA -0.089 4.250 4.340 -0.001 0.000 0.207 140 L C 1.871 178.760 176.870 0.032 0.000 1.078 140 L CA 1.439 56.288 54.840 0.015 0.000 0.749 140 L CB -0.162 41.908 42.059 0.018 0.000 0.901 140 L HN 0.115 nan 8.230 nan 0.000 0.433 141 I N -0.435 120.158 120.570 0.039 0.000 2.226 141 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 141 I C 2.473 178.600 176.117 0.017 0.000 1.100 141 I CA 1.321 62.647 61.300 0.043 0.000 1.374 141 I CB -0.390 37.637 38.000 0.045 0.000 1.057 141 I HN 0.245 nan 8.210 nan 0.000 0.413 142 K N 1.812 122.212 120.400 -0.001 0.000 2.032 142 K HA -0.241 4.078 4.320 -0.001 0.000 0.209 142 K C 2.089 178.655 176.600 -0.058 0.000 1.048 142 K CA 1.745 58.020 56.287 -0.021 0.000 0.927 142 K CB -0.297 32.190 32.500 -0.021 0.000 0.712 142 K HN 0.098 nan 8.250 nan 0.000 0.441 143 K N -0.126 120.225 120.400 -0.081 0.000 2.063 143 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 143 K C 2.092 178.506 176.600 -0.310 0.000 1.048 143 K CA 1.937 58.102 56.287 -0.205 0.000 0.928 143 K CB -0.131 32.281 32.500 -0.147 0.000 0.713 143 K HN 0.226 nan 8.250 nan 0.000 0.442 144 M N -0.294 119.253 119.600 -0.088 0.000 2.175 144 M HA -0.072 4.407 4.480 -0.001 0.000 0.264 144 M C 2.263 178.570 176.300 0.012 0.000 1.063 144 M CA 1.565 56.878 55.300 0.021 0.000 1.119 144 M CB -0.387 32.302 32.600 0.148 0.000 1.377 144 M HN 0.353 nan 8.290 nan 0.000 0.415 145 G N 0.557 109.354 108.800 -0.004 0.000 2.446 145 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.217 145 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.217 145 G C 1.011 175.904 174.900 -0.012 0.000 1.168 145 G CA 1.242 46.342 45.100 -0.001 0.000 0.771 145 G HN 0.338 nan 8.290 nan 0.000 0.551 146 D N 0.077 120.449 120.400 -0.046 0.000 2.097 146 D HA -0.085 4.554 4.640 -0.001 0.000 0.195 146 D C 2.260 178.598 176.300 0.063 0.000 0.989 146 D CA 0.933 54.920 54.000 -0.022 0.000 0.827 146 D CB -0.428 40.333 40.800 -0.066 0.000 0.966 146 D HN 0.273 nan 8.370 nan 0.000 0.456 147 H N 0.380 119.460 119.070 0.016 0.000 2.319 147 H HA -0.029 4.526 4.556 -0.001 0.000 0.299 147 H C 2.373 177.576 175.328 -0.209 0.000 1.092 147 H CA 0.458 56.506 56.048 -0.001 0.000 1.302 147 H CB -0.723 29.028 29.762 -0.018 0.000 1.373 147 H HN 0.133 nan 8.280 nan 0.000 0.497 148 L N 0.087 121.304 121.223 -0.011 0.000 2.017 148 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 148 L C 2.266 179.080 176.870 -0.093 0.000 1.073 148 L CA 1.662 56.452 54.840 -0.084 0.000 0.745 148 L CB -0.452 41.596 42.059 -0.018 0.000 0.894 148 L HN 0.285 nan 8.230 nan 0.000 0.432 149 T N -0.166 114.364 114.554 -0.039 0.000 2.665 149 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 149 T C 1.673 176.349 174.700 -0.041 0.000 1.035 149 T CA 1.650 63.734 62.100 -0.027 0.000 1.151 149 T CB -0.259 68.607 68.868 -0.002 0.000 0.862 149 T HN 0.389 nan 8.240 nan 0.000 0.438 150 N N 0.788 119.471 118.700 -0.029 0.000 2.106 150 N HA 0.006 4.745 4.740 -0.001 0.000 0.188 150 N C 1.997 177.412 175.510 -0.157 0.000 1.029 150 N CA 1.065 54.110 53.050 -0.009 0.000 0.848 150 N CB -0.298 38.299 38.487 0.183 0.000 1.007 150 N HN 0.376 nan 8.380 nan 0.000 0.423 151 I N 1.803 122.090 120.570 -0.471 0.000 2.194 151 I HA -0.304 3.865 4.170 -0.001 0.000 0.246 151 I C 2.376 178.366 176.117 -0.211 0.000 1.093 151 I CA 1.330 62.318 61.300 -0.521 0.000 1.355 151 I CB -0.259 37.339 38.000 -0.670 0.000 1.046 151 I HN 0.149 nan 8.210 nan 0.000 0.413 152 Q N 0.026 119.739 119.800 -0.144 0.000 2.119 152 Q HA -0.202 4.138 4.340 -0.001 0.000 0.201 152 Q C 2.336 178.312 176.000 -0.041 0.000 0.972 152 Q CA 1.146 56.906 55.803 -0.071 0.000 0.847 152 Q CB -0.178 28.532 28.738 -0.048 0.000 0.903 152 Q HN 0.363 nan 8.270 nan 0.000 0.433 153 R N 0.671 121.150 120.500 -0.035 0.000 2.096 153 R HA -0.165 4.175 4.340 -0.001 0.000 0.240 153 R C 2.057 178.355 176.300 -0.005 0.000 1.139 153 R CA 1.318 57.411 56.100 -0.012 0.000 0.952 153 R CB -0.175 30.125 30.300 0.000 0.000 0.854 153 R HN 0.215 nan 8.270 nan 0.000 0.436 154 L N -0.301 120.915 121.223 -0.010 0.000 2.072 154 L HA -0.091 4.249 4.340 -0.001 0.000 0.205 154 L C 2.151 179.028 176.870 0.011 0.000 1.079 154 L CA 0.957 55.804 54.840 0.012 0.000 0.752 154 L CB -0.097 41.979 42.059 0.028 0.000 0.906 154 L HN 0.231 nan 8.230 nan 0.000 0.436 155 V N -4.436 115.474 119.914 -0.007 0.000 3.650 155 V HA 0.255 4.374 4.120 -0.001 0.000 0.271 155 V C 2.043 178.142 176.094 0.008 0.000 1.281 155 V CA 0.774 63.078 62.300 0.006 0.000 1.120 155 V CB -0.540 31.284 31.823 0.001 0.000 0.856 155 V HN 0.279 nan 8.190 nan 0.000 0.443 156 G N 0.853 109.654 108.800 0.002 0.000 2.418 156 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.217 156 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.217 156 G C 1.593 176.499 174.900 0.011 0.000 1.158 156 G CA 1.264 46.367 45.100 0.005 0.000 0.771 156 G HN 0.522 nan 8.290 nan 0.000 0.545 157 S N -0.532 115.175 115.700 0.013 0.000 2.349 157 S HA 0.045 4.515 4.470 -0.001 0.000 0.216 157 S C 0.835 175.447 174.600 0.019 0.000 1.033 157 S CA 0.882 59.092 58.200 0.017 0.000 1.021 157 S CB -0.047 63.165 63.200 0.020 0.000 0.968 157 S HN 0.372 nan 8.310 nan 0.000 0.426 158 Q N -1.549 118.266 119.800 0.025 0.000 2.371 158 Q HA 0.430 4.770 4.340 -0.001 0.000 0.244 158 Q C 0.102 176.123 176.000 0.036 0.000 0.882 158 Q CA -0.103 55.716 55.803 0.027 0.000 0.866 158 Q CB 1.835 30.590 28.738 0.027 0.000 1.399 158 Q HN 0.294 nan 8.270 nan 0.000 0.432 159 A N 2.468 125.310 122.820 0.036 0.000 1.845 159 A HA -0.071 4.249 4.320 -0.001 0.000 0.215 159 A C 1.745 179.366 177.584 0.062 0.000 1.195 159 A CA 2.263 54.327 52.037 0.044 0.000 0.616 159 A CB -0.802 18.224 19.000 0.043 0.000 0.832 159 A HN 0.817 nan 8.150 nan 0.000 0.443 160 G N -0.249 108.586 108.800 0.058 0.000 2.446 160 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 160 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 160 G C 1.546 176.502 174.900 0.093 0.000 1.168 160 G CA 1.302 46.443 45.100 0.070 0.000 0.771 160 G HN 0.498 nan 8.290 nan 0.000 0.551 161 L N 1.465 122.733 121.223 0.074 0.000 2.012 161 L HA 0.107 4.447 4.340 -0.001 0.000 0.210 161 L C 2.868 179.827 176.870 0.148 0.000 1.073 161 L CA 2.524 57.426 54.840 0.103 0.000 0.748 161 L CB -0.985 41.113 42.059 0.066 0.000 0.891 161 L HN 0.179 nan 8.230 nan 0.000 0.431 162 G N -1.379 107.483 108.800 0.105 0.000 2.442 162 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.219 162 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.219 162 G C 1.516 176.489 174.900 0.122 0.000 1.141 162 G CA 0.901 46.059 45.100 0.097 0.000 0.763 162 G HN 0.539 nan 8.290 nan 0.000 0.554 163 E N -0.913 119.364 120.200 0.128 0.000 2.106 163 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 163 E C 2.007 178.722 176.600 0.192 0.000 0.984 163 E CA 0.643 57.133 56.400 0.151 0.000 0.806 163 E CB -0.311 29.477 29.700 0.148 0.000 0.750 163 E HN 0.513 nan 8.360 nan 0.000 0.458 164 Y N 0.848 121.189 120.300 0.069 0.000 2.114 164 Y HA -0.199 4.350 4.550 -0.001 0.000 0.284 164 Y C 1.807 177.725 175.900 0.031 0.000 1.143 164 Y CA 1.800 59.926 58.100 0.045 0.000 1.135 164 Y CB -0.243 38.235 38.460 0.030 0.000 0.980 164 Y HN 0.039 nan 8.280 nan 0.000 0.499 165 L N -1.266 119.996 121.223 0.066 0.000 2.141 165 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 165 L C 2.289 179.107 176.870 -0.087 0.000 1.094 165 L CA 1.287 56.093 54.840 -0.057 0.000 0.763 165 L CB -0.639 41.454 42.059 0.056 0.000 0.908 165 L HN 0.284 nan 8.230 nan 0.000 0.437 166 F N 0.823 120.691 119.950 -0.136 0.000 2.146 166 F HA -0.216 4.310 4.527 -0.001 0.000 0.298 166 F C 2.650 178.302 175.800 -0.247 0.000 1.096 166 F CA 1.638 59.532 58.000 -0.176 0.000 1.275 166 F CB -0.105 38.800 39.000 -0.158 0.000 1.008 166 F HN 0.046 nan 8.300 nan 0.000 0.480 167 E N 0.357 120.437 120.200 -0.200 0.000 2.150 167 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 167 E C 2.234 178.596 176.600 -0.396 0.000 0.985 167 E CA 0.849 57.064 56.400 -0.309 0.000 0.814 167 E CB -0.033 29.579 29.700 -0.147 0.000 0.752 167 E HN 0.326 nan 8.360 nan 0.000 0.466 168 R N -0.135 120.100 120.500 -0.443 0.000 2.062 168 R HA 0.043 4.382 4.340 -0.001 0.000 0.226 168 R C 2.414 178.504 176.300 -0.351 0.000 1.125 168 R CA 0.731 56.571 56.100 -0.433 0.000 0.966 168 R CB -0.302 29.658 30.300 -0.568 0.000 0.861 168 R HN 0.273 nan 8.270 nan 0.000 0.433 169 L N -0.709 120.303 121.223 -0.352 0.000 2.638 169 L HA 0.137 4.477 4.340 -0.001 0.000 0.232 169 L C 1.437 178.108 176.870 -0.331 0.000 1.099 169 L CA 0.370 55.043 54.840 -0.279 0.000 0.883 169 L CB 0.380 42.325 42.059 -0.190 0.000 1.136 169 L HN 0.076 nan 8.230 nan 0.000 0.492 170 T N -0.512 113.716 114.554 -0.543 0.000 3.085 170 T HA 0.280 4.629 4.350 -0.001 0.000 0.241 170 T C 0.879 175.209 174.700 -0.617 0.000 0.988 170 T CA 0.139 61.862 62.100 -0.629 0.000 1.117 170 T CB 0.403 68.641 68.868 -1.049 0.000 0.978 170 T HN -0.091 nan 8.240 nan 0.000 0.454 171 L N 0.000 120.770 121.223 -0.754 0.000 2.949 171 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 171 L CA 0.000 54.516 54.840 -0.541 0.000 0.813 171 L CB 0.000 41.706 42.059 -0.589 0.000 0.961 171 L HN 0.000 nan 8.230 nan 0.000 0.502