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 2v2o_1_A DATA FIRST_RESID 1 DATA SEQUENCE SSQIRQNYST EVEAAVNRLV NLYLRASYTY LSLGFYFDRD DVALEGVCHF DATA SEQUENCE FRELAEEKME GAERLLKMQN QRGGRALFQD LQKPSQDEWG TTPDAMKAAI DATA SEQUENCE VLEKSLNQAL LDLHALGSAQ ADPHLCDFLE SHFLDEEVKL IKKMGDHLTN DATA SEQUENCE IQRLVGSQAG LGEYLFERLT L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.598 174.600 -0.003 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 2 S N 1.650 117.349 115.700 -0.002 0.000 2.549 2 S HA 0.104 4.573 4.470 -0.002 0.000 0.286 2 S C 1.517 176.110 174.600 -0.012 0.000 1.314 2 S CA 0.242 58.437 58.200 -0.008 0.000 1.062 2 S CB 0.539 63.735 63.200 -0.007 0.000 0.865 2 S HN 0.868 nan 8.310 nan 0.000 0.498 3 Q N 4.337 124.127 119.800 -0.016 0.000 2.369 3 Q HA -0.057 4.282 4.340 -0.002 0.000 0.206 3 Q C 1.385 177.369 176.000 -0.026 0.000 0.963 3 Q CA 1.502 57.294 55.803 -0.018 0.000 0.894 3 Q CB -0.429 28.299 28.738 -0.017 0.000 0.965 3 Q HN 0.961 nan 8.270 nan 0.000 0.475 4 I N -3.164 117.385 120.570 -0.035 0.000 4.323 4 I HA 0.296 4.466 4.170 -0.002 0.000 0.328 4 I C 0.891 176.972 176.117 -0.059 0.000 1.310 4 I CA -0.725 60.544 61.300 -0.051 0.000 1.186 4 I CB 0.293 38.252 38.000 -0.069 0.000 1.130 4 I HN -0.129 nan 8.210 nan 0.000 0.411 5 R N 3.126 123.601 120.500 -0.042 0.000 2.449 5 R HA 0.194 4.533 4.340 -0.002 0.000 0.296 5 R C -0.509 175.786 176.300 -0.010 0.000 1.047 5 R CA 0.353 56.437 56.100 -0.026 0.000 1.018 5 R CB 0.392 30.704 30.300 0.020 0.000 0.962 5 R HN 0.535 nan 8.270 nan 0.000 0.428 6 Q N 3.760 123.554 119.800 -0.010 0.000 2.295 6 Q HA 0.080 4.419 4.340 -0.002 0.000 0.268 6 Q C -0.977 175.040 176.000 0.030 0.000 1.010 6 Q CA -0.580 55.224 55.803 0.002 0.000 0.856 6 Q CB 1.288 30.014 28.738 -0.022 0.000 1.349 6 Q HN 0.803 nan 8.270 nan 0.000 0.412 7 N N 1.943 120.670 118.700 0.044 0.000 2.714 7 N HA -0.261 4.478 4.740 -0.002 0.000 0.250 7 N C -2.083 173.501 175.510 0.125 0.000 1.117 7 N CA 1.055 54.139 53.050 0.058 0.000 0.719 7 N CB -0.936 37.576 38.487 0.042 0.000 1.081 7 N HN 0.573 nan 8.380 nan 0.000 0.557 8 Y N 0.866 121.139 120.300 -0.044 0.000 2.464 8 Y HA 0.455 5.005 4.550 -0.001 0.000 0.326 8 Y C 0.188 176.061 175.900 -0.045 0.000 0.969 8 Y CA -0.873 57.197 58.100 -0.050 0.000 1.270 8 Y CB 0.281 38.700 38.460 -0.068 0.000 1.103 8 Y HN 0.219 nan 8.280 nan 0.000 0.491 9 S N 1.528 117.064 115.700 -0.274 0.000 2.579 9 S HA 0.048 4.518 4.470 -0.002 0.000 0.275 9 S C 1.336 175.724 174.600 -0.354 0.000 1.345 9 S CA 0.081 58.133 58.200 -0.246 0.000 1.031 9 S CB 1.125 64.221 63.200 -0.174 0.000 0.892 9 S HN 0.786 nan 8.310 nan 0.000 0.529 10 T N -0.415 114.016 114.554 -0.206 0.000 2.867 10 T HA -0.096 4.253 4.350 -0.002 0.000 0.268 10 T C 1.225 175.815 174.700 -0.184 0.000 1.057 10 T CA 1.337 63.330 62.100 -0.178 0.000 1.136 10 T CB -0.651 68.156 68.868 -0.101 0.000 0.874 10 T HN 0.692 nan 8.240 nan 0.000 0.466 11 E N 0.942 121.043 120.200 -0.165 0.000 2.077 11 E HA -0.001 4.348 4.350 -0.002 0.000 0.193 11 E C 2.353 178.850 176.600 -0.172 0.000 0.989 11 E CA 0.853 57.172 56.400 -0.135 0.000 0.800 11 E CB -0.556 29.084 29.700 -0.099 0.000 0.746 11 E HN 0.350 nan 8.360 nan 0.000 0.452 12 V N 1.007 120.764 119.914 -0.261 0.000 2.358 12 V HA -0.238 3.882 4.120 -0.002 0.000 0.246 12 V C 2.352 178.252 176.094 -0.323 0.000 1.047 12 V CA 1.943 64.073 62.300 -0.283 0.000 1.035 12 V CB -0.378 31.242 31.823 -0.337 0.000 0.658 12 V HN 0.323 nan 8.190 nan 0.000 0.452 13 E N 0.526 120.435 120.200 -0.484 0.000 2.058 13 E HA -0.261 4.088 4.350 -0.002 0.000 0.194 13 E C 2.230 178.748 176.600 -0.138 0.000 0.997 13 E CA 1.613 57.835 56.400 -0.298 0.000 0.801 13 E CB -0.246 29.296 29.700 -0.263 0.000 0.746 13 E HN 0.539 nan 8.360 nan 0.000 0.450 14 A N 1.385 124.124 122.820 -0.134 0.000 1.883 14 A HA -0.152 4.167 4.320 -0.002 0.000 0.217 14 A C 2.471 180.013 177.584 -0.070 0.000 1.186 14 A CA 2.177 54.161 52.037 -0.089 0.000 0.624 14 A CB -1.004 17.950 19.000 -0.077 0.000 0.822 14 A HN 0.457 nan 8.150 nan 0.000 0.444 15 A N -0.639 122.137 122.820 -0.073 0.000 1.908 15 A HA -0.051 4.268 4.320 -0.002 0.000 0.218 15 A C 2.250 179.814 177.584 -0.033 0.000 1.181 15 A CA 1.955 53.965 52.037 -0.045 0.000 0.627 15 A CB -1.012 17.961 19.000 -0.045 0.000 0.818 15 A HN 0.435 nan 8.150 nan 0.000 0.445 16 V N 0.882 120.768 119.914 -0.046 0.000 2.295 16 V HA -0.271 3.848 4.120 -0.002 0.000 0.246 16 V C 2.340 178.408 176.094 -0.044 0.000 1.049 16 V CA 2.143 64.421 62.300 -0.038 0.000 1.024 16 V CB -0.995 30.818 31.823 -0.017 0.000 0.648 16 V HN 0.555 nan 8.190 nan 0.000 0.447 17 N N 0.317 118.977 118.700 -0.066 0.000 2.104 17 N HA -0.162 4.577 4.740 -0.002 0.000 0.190 17 N C 1.964 177.449 175.510 -0.043 0.000 1.024 17 N CA 1.463 54.456 53.050 -0.095 0.000 0.853 17 N CB -0.371 38.043 38.487 -0.123 0.000 1.008 17 N HN 0.478 nan 8.380 nan 0.000 0.424 18 R N 0.156 120.646 120.500 -0.017 0.000 2.081 18 R HA -0.076 4.263 4.340 -0.002 0.000 0.235 18 R C 2.037 178.372 176.300 0.058 0.000 1.131 18 R CA 0.702 56.813 56.100 0.018 0.000 0.960 18 R CB -0.500 29.807 30.300 0.013 0.000 0.856 18 R HN 0.144 nan 8.270 nan 0.000 0.436 19 L N 0.791 122.050 121.223 0.061 0.000 2.093 19 L HA -0.121 4.218 4.340 -0.002 0.000 0.208 19 L C 2.116 179.107 176.870 0.202 0.000 1.085 19 L CA 1.376 56.296 54.840 0.132 0.000 0.755 19 L CB -0.240 41.865 42.059 0.076 0.000 0.904 19 L HN -0.104 nan 8.230 nan 0.000 0.435 20 V N 0.210 120.191 119.914 0.111 0.000 2.287 20 V HA -0.351 3.768 4.120 -0.002 0.000 0.248 20 V C 2.523 178.744 176.094 0.211 0.000 1.053 20 V CA 2.122 64.511 62.300 0.149 0.000 1.027 20 V CB -0.954 30.906 31.823 0.061 0.000 0.646 20 V HN 0.640 nan 8.190 nan 0.000 0.447 21 N N 0.001 118.793 118.700 0.153 0.000 2.104 21 N HA -0.196 4.543 4.740 -0.002 0.000 0.190 21 N C 1.859 177.463 175.510 0.157 0.000 1.024 21 N CA 1.676 54.819 53.050 0.154 0.000 0.853 21 N CB -0.117 38.435 38.487 0.109 0.000 1.008 21 N HN 0.369 nan 8.380 nan 0.000 0.424 22 L N 0.363 121.680 121.223 0.157 0.000 2.093 22 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 22 L C 1.865 178.793 176.870 0.097 0.000 1.085 22 L CA 1.361 56.268 54.840 0.112 0.000 0.755 22 L CB -0.800 41.318 42.059 0.099 0.000 0.904 22 L HN 0.167 nan 8.230 nan 0.000 0.435 23 Y N -1.662 118.705 120.300 0.113 0.000 2.163 23 Y HA -0.232 4.317 4.550 -0.002 0.000 0.288 23 Y C 2.281 178.264 175.900 0.139 0.000 1.136 23 Y CA 1.200 59.385 58.100 0.142 0.000 1.147 23 Y CB -0.367 38.200 38.460 0.178 0.000 0.987 23 Y HN 0.055 nan 8.280 nan 0.000 0.509 24 L N 0.068 121.458 121.223 0.278 0.000 2.013 24 L HA -0.256 4.083 4.340 -0.002 0.000 0.212 24 L C 2.478 179.449 176.870 0.169 0.000 1.073 24 L CA 1.780 56.739 54.840 0.198 0.000 0.753 24 L CB -1.214 40.953 42.059 0.181 0.000 0.890 24 L HN 0.169 nan 8.230 nan 0.000 0.432 25 R N -0.764 119.828 120.500 0.154 0.000 2.120 25 R HA -0.126 4.213 4.340 -0.002 0.000 0.234 25 R C 2.187 178.533 176.300 0.077 0.000 1.123 25 R CA 1.249 57.441 56.100 0.154 0.000 0.975 25 R CB -0.127 30.239 30.300 0.110 0.000 0.866 25 R HN 0.349 nan 8.270 nan 0.000 0.446 26 A N -0.285 122.535 122.820 -0.000 0.000 1.898 26 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 26 A C 2.157 179.708 177.584 -0.054 0.000 1.181 26 A CA 1.724 53.680 52.037 -0.136 0.000 0.620 26 A CB -0.826 18.073 19.000 -0.169 0.000 0.819 26 A HN 0.432 nan 8.150 nan 0.000 0.442 27 S N -1.764 114.016 115.700 0.133 0.000 2.365 27 S HA -0.217 4.252 4.470 -0.002 0.000 0.225 27 S C 1.943 176.688 174.600 0.242 0.000 1.039 27 S CA 1.745 60.080 58.200 0.224 0.000 1.033 27 S CB -0.555 62.764 63.200 0.199 0.000 0.887 27 S HN 0.598 nan 8.310 nan 0.000 0.447 28 Y N 2.436 122.772 120.300 0.059 0.000 2.128 28 Y HA -0.127 4.422 4.550 -0.002 0.000 0.284 28 Y C 2.728 178.647 175.900 0.031 0.000 1.154 28 Y CA 1.911 60.047 58.100 0.059 0.000 1.149 28 Y CB -1.335 37.156 38.460 0.052 0.000 0.976 28 Y HN 0.293 nan 8.280 nan 0.000 0.505 29 T N -0.133 114.427 114.554 0.010 0.000 2.684 29 T HA -0.243 4.106 4.350 -0.002 0.000 0.267 29 T C 1.649 176.168 174.700 -0.301 0.000 1.036 29 T CA 1.991 63.963 62.100 -0.213 0.000 1.148 29 T CB -0.616 68.024 68.868 -0.379 0.000 0.863 29 T HN 0.315 nan 8.240 nan 0.000 0.436 30 Y N 0.671 120.916 120.300 -0.091 0.000 2.263 30 Y HA 0.113 4.663 4.550 -0.001 0.000 0.292 30 Y C 2.117 178.022 175.900 0.008 0.000 1.130 30 Y CA -0.281 57.753 58.100 -0.111 0.000 1.179 30 Y CB -0.881 37.566 38.460 -0.021 0.000 0.998 30 Y HN 0.104 nan 8.280 nan 0.000 0.532 31 L N -0.827 120.563 121.223 0.278 0.000 2.012 31 L HA -0.231 4.109 4.340 -0.002 0.000 0.210 31 L C 2.614 179.717 176.870 0.390 0.000 1.073 31 L CA 2.181 57.236 54.840 0.359 0.000 0.748 31 L CB -1.022 41.277 42.059 0.400 0.000 0.891 31 L HN 0.177 nan 8.230 nan 0.000 0.431 32 S N -1.068 114.787 115.700 0.258 0.000 2.368 32 S HA -0.160 4.309 4.470 -0.002 0.000 0.225 32 S C 2.044 176.772 174.600 0.213 0.000 1.030 32 S CA 1.577 59.951 58.200 0.289 0.000 0.999 32 S CB -0.415 62.967 63.200 0.304 0.000 0.844 32 S HN 0.472 nan 8.310 nan 0.000 0.459 33 L N 0.832 121.920 121.223 -0.224 0.000 2.017 33 L HA -0.011 4.329 4.340 -0.002 0.000 0.208 33 L C 2.787 179.769 176.870 0.187 0.000 1.073 33 L CA 1.293 55.827 54.840 -0.509 0.000 0.745 33 L CB -1.044 40.317 42.059 -1.163 0.000 0.894 33 L HN 0.489 nan 8.230 nan 0.000 0.432 34 G N -0.323 108.617 108.800 0.233 0.000 2.480 34 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.216 34 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.216 34 G C 1.320 176.288 174.900 0.113 0.000 1.200 34 G CA 0.787 46.025 45.100 0.230 0.000 0.782 34 G HN 0.242 nan 8.290 nan 0.000 0.554 35 F N -0.474 119.630 119.950 0.256 0.000 2.333 35 F HA 0.042 4.568 4.527 -0.002 0.000 0.300 35 F C 2.232 178.162 175.800 0.217 0.000 1.083 35 F CA 0.788 58.917 58.000 0.215 0.000 1.395 35 F CB -0.416 38.690 39.000 0.176 0.000 1.056 35 F HN 0.264 nan 8.300 nan 0.000 0.529 36 Y N -0.462 120.002 120.300 0.275 0.000 2.200 36 Y HA -0.225 4.324 4.550 -0.002 0.000 0.290 36 Y C 1.866 177.755 175.900 -0.018 0.000 1.137 36 Y CA 1.443 59.615 58.100 0.120 0.000 1.163 36 Y CB -0.800 37.751 38.460 0.152 0.000 0.988 36 Y HN -0.016 nan 8.280 nan 0.000 0.518 37 F N 0.343 120.368 119.950 0.125 0.000 2.604 37 F HA -0.042 4.485 4.527 -0.001 0.000 0.298 37 F C 1.894 177.693 175.800 -0.002 0.000 1.131 37 F CA 1.486 59.504 58.000 0.029 0.000 1.457 37 F CB -0.442 38.688 39.000 0.216 0.000 1.095 37 F HN 0.153 nan 8.300 nan 0.000 0.574 38 D N -0.148 120.330 120.400 0.131 0.000 2.347 38 D HA -0.034 4.606 4.640 -0.002 0.000 0.213 38 D C 0.753 177.096 176.300 0.072 0.000 0.985 38 D CA 0.162 54.223 54.000 0.100 0.000 0.879 38 D CB 0.128 40.997 40.800 0.115 0.000 0.919 38 D HN 0.034 nan 8.370 nan 0.000 0.526 39 R N 0.979 121.475 120.500 -0.007 0.000 2.623 39 R HA 0.012 4.351 4.340 -0.002 0.000 0.271 39 R C 1.409 177.693 176.300 -0.025 0.000 1.043 39 R CA 0.506 56.588 56.100 -0.030 0.000 1.083 39 R CB 0.505 30.722 30.300 -0.139 0.000 0.974 39 R HN 0.331 nan 8.270 nan 0.000 0.436 40 D N 2.166 122.568 120.400 0.003 0.000 2.221 40 D HA -0.196 4.443 4.640 -0.002 0.000 0.204 40 D C 0.396 176.692 176.300 -0.005 0.000 0.982 40 D CA 1.263 55.268 54.000 0.009 0.000 0.857 40 D CB 0.032 40.843 40.800 0.018 0.000 0.934 40 D HN 0.610 nan 8.370 nan 0.000 0.475 41 D N 0.147 120.529 120.400 -0.030 0.000 2.342 41 D HA 0.022 4.662 4.640 -0.002 0.000 0.221 41 D C 1.525 177.785 176.300 -0.068 0.000 1.101 41 D CA -0.216 53.765 54.000 -0.033 0.000 0.837 41 D CB 0.593 41.379 40.800 -0.025 0.000 0.938 41 D HN 0.267 nan 8.370 nan 0.000 0.508 42 V N 0.046 119.894 119.914 -0.109 0.000 3.054 42 V HA 0.416 4.535 4.120 -0.002 0.000 0.227 42 V C 1.018 177.119 176.094 0.011 0.000 1.252 42 V CA 0.280 62.497 62.300 -0.138 0.000 1.279 42 V CB -0.586 30.946 31.823 -0.485 0.000 1.118 42 V HN 0.315 nan 8.190 nan 0.000 0.504 43 A N 0.941 123.775 122.820 0.023 0.000 2.578 43 A HA -0.190 4.129 4.320 -0.002 0.000 0.298 43 A C -0.203 177.462 177.584 0.135 0.000 1.472 43 A CA 0.817 52.901 52.037 0.079 0.000 0.734 43 A CB -2.035 17.002 19.000 0.061 0.000 1.091 43 A HN 0.486 nan 8.150 nan 0.000 0.426 44 L N 0.040 121.378 121.223 0.192 0.000 2.417 44 L HA 0.323 4.662 4.340 -0.002 0.000 0.259 44 L C 1.299 178.237 176.870 0.113 0.000 1.023 44 L CA -0.069 54.872 54.840 0.169 0.000 0.901 44 L CB 1.239 43.441 42.059 0.238 0.000 1.227 44 L HN 0.670 nan 8.230 nan 0.000 0.454 45 E N 2.200 122.433 120.200 0.054 0.000 2.072 45 E HA -0.151 4.198 4.350 -0.002 0.000 0.191 45 E C 1.906 178.509 176.600 0.005 0.000 0.985 45 E CA 1.403 57.823 56.400 0.033 0.000 0.801 45 E CB 0.256 29.958 29.700 0.004 0.000 0.750 45 E HN 0.847 nan 8.360 nan 0.000 0.452 46 G N 0.474 109.238 108.800 -0.060 0.000 2.442 46 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.219 46 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.219 46 G C 1.605 176.442 174.900 -0.106 0.000 1.141 46 G CA 1.048 46.087 45.100 -0.103 0.000 0.763 46 G HN 0.229 nan 8.290 nan 0.000 0.554 47 V N 0.225 120.047 119.914 -0.154 0.000 2.379 47 V HA -0.176 3.943 4.120 -0.002 0.000 0.245 47 V C 2.945 178.984 176.094 -0.091 0.000 1.044 47 V CA 1.465 63.583 62.300 -0.303 0.000 1.036 47 V CB -0.734 30.725 31.823 -0.606 0.000 0.664 47 V HN 0.600 nan 8.190 nan 0.000 0.453 48 C N 0.154 119.513 119.300 0.099 0.000 2.398 48 C HA -0.293 4.166 4.460 -0.002 0.000 0.276 48 C C 2.811 177.851 174.990 0.082 0.000 1.222 48 C CA 1.905 61.027 59.018 0.173 0.000 1.746 48 C CB -1.341 26.469 27.740 0.118 0.000 2.039 48 C HN 0.753 nan 8.230 nan 0.000 0.470 49 H N -1.461 117.588 119.070 -0.035 0.000 2.353 49 H HA -0.163 4.392 4.556 -0.002 0.000 0.300 49 H C 2.200 177.486 175.328 -0.070 0.000 1.090 49 H CA 2.199 58.213 56.048 -0.057 0.000 1.327 49 H CB -0.673 29.052 29.762 -0.062 0.000 1.383 49 H HN 0.584 nan 8.280 nan 0.000 0.508 50 F N 0.951 120.733 119.950 -0.280 0.000 2.065 50 F HA -0.282 4.244 4.527 -0.002 0.000 0.298 50 F C 1.935 177.464 175.800 -0.452 0.000 1.112 50 F CA 1.757 59.489 58.000 -0.447 0.000 1.212 50 F CB -0.778 37.836 39.000 -0.643 0.000 0.975 50 F HN 0.062 nan 8.300 nan 0.000 0.476 51 F N 0.253 120.090 119.950 -0.188 0.000 2.234 51 F HA 0.044 4.570 4.527 -0.001 0.000 0.296 51 F C 2.500 178.133 175.800 -0.277 0.000 1.089 51 F CA 1.014 58.844 58.000 -0.284 0.000 1.343 51 F CB -0.951 38.058 39.000 0.015 0.000 1.040 51 F HN -0.165 nan 8.300 nan 0.000 0.498 52 R N 0.243 120.715 120.500 -0.046 0.000 2.096 52 R HA -0.131 4.208 4.340 -0.002 0.000 0.235 52 R C 2.007 178.193 176.300 -0.189 0.000 1.127 52 R CA 1.252 57.297 56.100 -0.093 0.000 0.968 52 R CB -0.384 29.837 30.300 -0.132 0.000 0.861 52 R HN 0.234 nan 8.270 nan 0.000 0.440 53 E N 0.957 120.936 120.200 -0.369 0.000 2.077 53 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 53 E C 2.154 178.549 176.600 -0.342 0.000 0.989 53 E CA 0.946 57.120 56.400 -0.377 0.000 0.800 53 E CB -0.201 29.196 29.700 -0.505 0.000 0.746 53 E HN 0.340 nan 8.360 nan 0.000 0.452 54 L N 0.570 121.491 121.223 -0.504 0.000 2.083 54 L HA -0.157 4.183 4.340 -0.002 0.000 0.209 54 L C 2.525 179.240 176.870 -0.258 0.000 1.083 54 L CA 1.023 55.510 54.840 -0.589 0.000 0.752 54 L CB -0.515 40.781 42.059 -1.273 0.000 0.899 54 L HN 0.058 nan 8.230 nan 0.000 0.433 55 A N 0.049 122.825 122.820 -0.073 0.000 1.908 55 A HA -0.257 4.062 4.320 -0.002 0.000 0.218 55 A C 2.171 179.810 177.584 0.091 0.000 1.181 55 A CA 1.933 54.058 52.037 0.146 0.000 0.627 55 A CB -0.451 18.658 19.000 0.181 0.000 0.818 55 A HN 0.464 nan 8.150 nan 0.000 0.445 56 E N -0.530 119.678 120.200 0.014 0.000 2.077 56 E HA -0.167 4.182 4.350 -0.002 0.000 0.193 56 E C 2.063 178.672 176.600 0.016 0.000 0.989 56 E CA 1.131 57.538 56.400 0.012 0.000 0.800 56 E CB -0.105 29.580 29.700 -0.026 0.000 0.746 56 E HN 0.536 nan 8.360 nan 0.000 0.452 57 E N 0.850 121.037 120.200 -0.022 0.000 2.077 57 E HA -0.162 4.187 4.350 -0.002 0.000 0.193 57 E C 1.917 178.581 176.600 0.106 0.000 0.989 57 E CA 0.858 57.256 56.400 -0.003 0.000 0.800 57 E CB -0.044 29.617 29.700 -0.065 0.000 0.746 57 E HN 0.070 nan 8.360 nan 0.000 0.452 58 K N 0.471 120.974 120.400 0.171 0.000 2.097 58 K HA -0.070 4.249 4.320 -0.002 0.000 0.205 58 K C 2.048 178.846 176.600 0.331 0.000 1.050 58 K CA 0.728 57.216 56.287 0.335 0.000 0.938 58 K CB -0.434 32.240 32.500 0.290 0.000 0.718 58 K HN 0.127 nan 8.250 nan 0.000 0.442 59 M N 1.701 121.424 119.600 0.204 0.000 2.175 59 M HA -0.102 4.377 4.480 -0.002 0.000 0.264 59 M C 1.531 177.913 176.300 0.136 0.000 1.063 59 M CA 1.640 57.039 55.300 0.164 0.000 1.119 59 M CB -0.186 32.481 32.600 0.110 0.000 1.377 59 M HN 0.124 nan 8.290 nan 0.000 0.415 60 E N -0.602 119.657 120.200 0.098 0.000 2.085 60 E HA -0.150 4.199 4.350 -0.002 0.000 0.194 60 E C 2.000 178.630 176.600 0.050 0.000 0.994 60 E CA 1.193 57.623 56.400 0.051 0.000 0.801 60 E CB -0.678 29.023 29.700 0.002 0.000 0.743 60 E HN 0.728 nan 8.360 nan 0.000 0.453 61 G N 1.264 110.115 108.800 0.085 0.000 2.446 61 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.217 61 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.217 61 G C 1.700 176.636 174.900 0.060 0.000 1.168 61 G CA 1.059 46.181 45.100 0.037 0.000 0.771 61 G HN 0.368 nan 8.290 nan 0.000 0.551 62 A N 0.776 123.672 122.820 0.126 0.000 1.902 62 A HA -0.029 4.290 4.320 -0.002 0.000 0.217 62 A C 2.181 179.849 177.584 0.140 0.000 1.181 62 A CA 1.992 54.118 52.037 0.149 0.000 0.623 62 A CB -0.425 18.714 19.000 0.232 0.000 0.818 62 A HN 0.465 nan 8.150 nan 0.000 0.443 63 E N -0.920 119.358 120.200 0.130 0.000 2.077 63 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 63 E C 2.308 178.975 176.600 0.112 0.000 0.989 63 E CA 1.141 57.607 56.400 0.110 0.000 0.800 63 E CB -0.162 29.586 29.700 0.079 0.000 0.746 63 E HN 0.594 nan 8.360 nan 0.000 0.452 64 R N 0.798 121.378 120.500 0.133 0.000 2.081 64 R HA -0.138 4.201 4.340 -0.002 0.000 0.235 64 R C 2.283 178.777 176.300 0.324 0.000 1.131 64 R CA 1.014 57.235 56.100 0.202 0.000 0.960 64 R CB -0.163 30.234 30.300 0.163 0.000 0.856 64 R HN 0.150 nan 8.270 nan 0.000 0.436 65 L N 0.463 121.859 121.223 0.287 0.000 2.083 65 L HA -0.189 4.150 4.340 -0.002 0.000 0.209 65 L C 2.349 179.231 176.870 0.021 0.000 1.083 65 L CA 1.091 56.011 54.840 0.133 0.000 0.752 65 L CB -0.272 41.784 42.059 -0.005 0.000 0.899 65 L HN 0.261 nan 8.230 nan 0.000 0.433 66 L N -0.334 120.922 121.223 0.056 0.000 2.093 66 L HA -0.209 4.130 4.340 -0.002 0.000 0.208 66 L C 2.683 179.558 176.870 0.008 0.000 1.085 66 L CA 1.184 56.044 54.840 0.033 0.000 0.755 66 L CB -0.434 41.690 42.059 0.108 0.000 0.904 66 L HN 0.236 nan 8.230 nan 0.000 0.435 67 K N 0.097 120.515 120.400 0.031 0.000 2.057 67 K HA -0.248 4.071 4.320 -0.002 0.000 0.207 67 K C 2.279 178.848 176.600 -0.052 0.000 1.049 67 K CA 1.487 57.780 56.287 0.009 0.000 0.931 67 K CB -0.094 32.430 32.500 0.040 0.000 0.714 67 K HN 0.141 nan 8.250 nan 0.000 0.440 68 M N 1.168 120.706 119.600 -0.103 0.000 2.132 68 M HA -0.184 4.295 4.480 -0.002 0.000 0.263 68 M C 2.125 178.244 176.300 -0.303 0.000 1.065 68 M CA 1.801 56.933 55.300 -0.280 0.000 1.122 68 M CB -0.493 31.656 32.600 -0.752 0.000 1.365 68 M HN 0.230 nan 8.290 nan 0.000 0.411 69 Q N 1.204 120.872 119.800 -0.219 0.000 2.062 69 Q HA -0.219 4.120 4.340 -0.002 0.000 0.209 69 Q C 1.610 177.499 176.000 -0.184 0.000 0.996 69 Q CA 2.625 58.331 55.803 -0.163 0.000 0.859 69 Q CB -0.402 28.292 28.738 -0.072 0.000 0.920 69 Q HN 0.541 nan 8.270 nan 0.000 0.415 70 N N -0.290 118.333 118.700 -0.128 0.000 2.142 70 N HA -0.132 4.607 4.740 -0.002 0.000 0.186 70 N C 1.663 177.085 175.510 -0.147 0.000 1.023 70 N CA 1.348 54.335 53.050 -0.105 0.000 0.852 70 N CB -0.211 38.244 38.487 -0.054 0.000 0.998 70 N HN 0.431 nan 8.380 nan 0.000 0.424 71 Q N 0.061 119.759 119.800 -0.170 0.000 2.152 71 Q HA -0.052 4.287 4.340 -0.002 0.000 0.206 71 Q C 1.506 177.331 176.000 -0.291 0.000 0.985 71 Q CA 1.093 56.780 55.803 -0.193 0.000 0.863 71 Q CB 0.066 28.703 28.738 -0.168 0.000 0.904 71 Q HN 0.217 nan 8.270 nan 0.000 0.422 72 R N -1.197 119.038 120.500 -0.442 0.000 2.240 72 R HA 0.051 4.390 4.340 -0.002 0.000 0.203 72 R C 1.237 177.271 176.300 -0.443 0.000 1.011 72 R CA 0.922 56.640 56.100 -0.638 0.000 1.007 72 R CB 0.339 29.839 30.300 -1.334 0.000 0.911 72 R HN 0.462 nan 8.270 nan 0.000 0.468 73 G N -0.039 108.597 108.800 -0.273 0.000 2.144 73 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.218 73 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.218 73 G C 0.472 175.360 174.900 -0.019 0.000 0.988 73 G CA -0.036 44.996 45.100 -0.113 0.000 0.659 73 G HN 0.599 nan 8.290 nan 0.000 0.522 74 G N -0.755 108.045 108.800 -0.001 0.000 2.599 74 G HA2 0.577 4.536 3.960 -0.002 0.000 0.264 74 G HA3 0.577 4.536 3.960 -0.002 0.000 0.264 74 G C -0.149 174.772 174.900 0.035 0.000 1.200 74 G CA -0.614 44.577 45.100 0.151 0.000 0.896 74 G HN 0.299 nan 8.290 nan 0.000 0.536 75 R N 0.031 120.542 120.500 0.019 0.000 2.409 75 R HA 0.476 4.815 4.340 -0.002 0.000 0.313 75 R C 0.078 176.338 176.300 -0.067 0.000 0.953 75 R CA -0.736 55.353 56.100 -0.019 0.000 0.849 75 R CB 1.315 31.608 30.300 -0.011 0.000 1.171 75 R HN 0.655 nan 8.270 nan 0.000 0.458 76 A N 4.776 127.533 122.820 -0.105 0.000 2.548 76 A HA 0.269 4.588 4.320 -0.002 0.000 0.247 76 A C -0.109 177.281 177.584 -0.325 0.000 1.067 76 A CA 0.333 52.210 52.037 -0.266 0.000 0.757 76 A CB 0.108 18.955 19.000 -0.254 0.000 0.996 76 A HN 0.635 nan 8.150 nan 0.000 0.504 77 L N 2.474 123.425 121.223 -0.453 0.000 2.438 77 L HA 0.541 4.880 4.340 -0.002 0.000 0.270 77 L C -1.220 175.395 176.870 -0.424 0.000 0.972 77 L CA -0.348 54.309 54.840 -0.305 0.000 0.831 77 L CB 1.868 43.852 42.059 -0.126 0.000 1.273 77 L HN 0.691 nan 8.230 nan 0.000 0.405 78 F N 1.449 121.410 119.950 0.018 0.000 2.458 78 F HA 0.572 5.098 4.527 -0.002 0.000 0.330 78 F C 0.358 176.170 175.800 0.021 0.000 1.082 78 F CA -0.556 57.458 58.000 0.022 0.000 0.995 78 F CB 1.645 40.657 39.000 0.019 0.000 1.170 78 F HN 0.348 nan 8.300 nan 0.000 0.478 79 Q N 0.674 120.594 119.800 0.199 0.000 2.445 79 Q HA 0.302 4.641 4.340 -0.002 0.000 0.281 79 Q C -1.194 174.879 176.000 0.122 0.000 1.101 79 Q CA -1.020 54.857 55.803 0.123 0.000 0.833 79 Q CB 1.644 30.430 28.738 0.079 0.000 1.416 79 Q HN 0.506 nan 8.270 nan 0.000 0.451 80 D N 1.003 121.456 120.400 0.088 0.000 2.449 80 D HA 0.080 4.719 4.640 -0.002 0.000 0.236 80 D C -0.212 176.144 176.300 0.094 0.000 1.149 80 D CA 0.527 54.575 54.000 0.079 0.000 0.878 80 D CB 0.553 41.391 40.800 0.064 0.000 1.198 80 D HN 0.205 nan 8.370 nan 0.000 0.446 81 L N 2.848 124.132 121.223 0.102 0.000 2.262 81 L HA 0.129 4.468 4.340 -0.002 0.000 0.288 81 L C 0.506 177.485 176.870 0.181 0.000 1.035 81 L CA -0.838 54.089 54.840 0.143 0.000 0.820 81 L CB 0.992 43.132 42.059 0.134 0.000 1.204 81 L HN 0.092 nan 8.230 nan 0.000 0.424 82 Q N 3.629 123.514 119.800 0.143 0.000 2.364 82 Q HA 0.075 4.414 4.340 -0.002 0.000 0.267 82 Q C -0.057 176.012 176.000 0.115 0.000 0.999 82 Q CA -0.011 55.856 55.803 0.106 0.000 0.886 82 Q CB 1.118 29.891 28.738 0.057 0.000 1.243 82 Q HN 0.508 nan 8.270 nan 0.000 0.415 83 K N 1.899 122.320 120.400 0.036 0.000 2.276 83 K HA 0.300 4.620 4.320 -0.002 0.000 0.259 83 K C -2.289 174.199 176.600 -0.187 0.000 1.001 83 K CA -1.348 54.840 56.287 -0.165 0.000 0.927 83 K CB -0.449 31.970 32.500 -0.135 0.000 0.969 83 K HN 0.165 nan 8.250 nan 0.000 0.490 84 P HA -0.073 nan 4.420 nan 0.000 0.269 84 P C 0.285 177.543 177.300 -0.069 0.000 1.217 84 P CA -0.192 62.854 63.100 -0.091 0.000 0.783 84 P CB 0.736 32.452 31.700 0.026 0.000 0.898 85 S N -0.267 115.430 115.700 -0.005 0.000 2.453 85 S HA -0.072 4.398 4.470 -0.002 0.000 0.231 85 S C 0.477 174.903 174.600 -0.289 0.000 1.005 85 S CA 0.669 58.808 58.200 -0.101 0.000 0.949 85 S CB -0.392 62.792 63.200 -0.027 0.000 0.774 85 S HN 0.526 nan 8.310 nan 0.000 0.510 86 Q N -0.400 119.051 119.800 -0.582 0.000 2.451 86 Q HA 0.436 4.775 4.340 -0.002 0.000 0.281 86 Q C -0.756 174.729 176.000 -0.858 0.000 1.099 86 Q CA -0.759 54.498 55.803 -0.909 0.000 0.806 86 Q CB 1.875 29.692 28.738 -1.536 0.000 1.419 86 Q HN 0.002 nan 8.270 nan 0.000 0.427 87 D N 0.446 120.459 120.400 -0.645 0.000 2.338 87 D HA 0.054 4.693 4.640 -0.002 0.000 0.208 87 D C -0.441 175.565 176.300 -0.490 0.000 0.997 87 D CA 0.946 54.699 54.000 -0.413 0.000 0.880 87 D CB 0.778 41.438 40.800 -0.233 0.000 0.980 87 D HN 0.401 nan 8.370 nan 0.000 0.509 88 E N -0.927 118.840 120.200 -0.722 0.000 2.266 88 E HA 0.277 4.626 4.350 -0.002 0.000 0.268 88 E C -0.490 175.449 176.600 -1.101 0.000 0.879 88 E CA -0.595 55.356 56.400 -0.749 0.000 0.762 88 E CB 1.888 31.398 29.700 -0.318 0.000 1.199 88 E HN 0.023 nan 8.360 nan 0.000 0.422 89 W N 1.565 122.085 121.300 -1.300 0.000 2.846 89 W HA 0.310 4.970 4.660 -0.001 0.000 0.391 89 W C 1.061 177.343 176.519 -0.395 0.000 1.011 89 W CA 0.253 57.137 57.345 -0.768 0.000 1.832 89 W CB 0.994 30.041 29.460 -0.688 0.000 1.151 89 W HN 0.986 nan 8.180 nan 0.000 0.582 90 G N 1.200 109.904 108.800 -0.160 0.000 2.531 90 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.274 90 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.274 90 G C 0.344 175.412 174.900 0.281 0.000 1.159 90 G CA 0.594 45.753 45.100 0.098 0.000 0.969 90 G HN 0.259 nan 8.290 nan 0.000 0.554 91 T N -2.991 111.731 114.554 0.281 0.000 2.936 91 T HA 0.631 4.980 4.350 -0.002 0.000 0.282 91 T C 1.516 176.488 174.700 0.454 0.000 1.003 91 T CA 0.847 63.150 62.100 0.339 0.000 1.005 91 T CB 1.331 70.319 68.868 0.200 0.000 1.097 91 T HN 0.964 nan 8.240 nan 0.000 0.532 92 T N 2.385 117.184 114.554 0.408 0.000 2.653 92 T HA -0.061 4.288 4.350 -0.002 0.000 0.268 92 T C -0.768 174.022 174.700 0.150 0.000 1.035 92 T CA 1.847 64.096 62.100 0.248 0.000 1.154 92 T CB -1.472 67.427 68.868 0.053 0.000 0.862 92 T HN 0.617 nan 8.240 nan 0.000 0.441 93 P HA -0.061 nan 4.420 nan 0.000 0.216 93 P C 1.007 178.375 177.300 0.115 0.000 1.150 93 P CA 1.165 64.292 63.100 0.045 0.000 0.837 93 P CB -0.129 31.578 31.700 0.012 0.000 0.786 94 D N -0.009 120.488 120.400 0.161 0.000 2.097 94 D HA -0.125 4.514 4.640 -0.002 0.000 0.195 94 D C 2.076 178.512 176.300 0.226 0.000 0.989 94 D CA 1.725 55.828 54.000 0.173 0.000 0.827 94 D CB -0.763 40.142 40.800 0.175 0.000 0.966 94 D HN 0.106 nan 8.370 nan 0.000 0.456 95 A N 0.592 123.603 122.820 0.318 0.000 1.930 95 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 95 A C 2.146 179.916 177.584 0.310 0.000 1.175 95 A CA 1.446 53.673 52.037 0.316 0.000 0.627 95 A CB -0.429 18.893 19.000 0.536 0.000 0.815 95 A HN 0.118 nan 8.150 nan 0.000 0.443 96 M N -0.090 119.708 119.600 0.330 0.000 2.175 96 M HA -0.042 4.437 4.480 -0.002 0.000 0.264 96 M C 1.802 178.226 176.300 0.207 0.000 1.063 96 M CA 1.664 57.143 55.300 0.299 0.000 1.119 96 M CB -0.405 32.278 32.600 0.140 0.000 1.377 96 M HN 0.371 nan 8.290 nan 0.000 0.415 97 K N -0.532 119.958 120.400 0.150 0.000 2.026 97 K HA -0.092 4.227 4.320 -0.002 0.000 0.208 97 K C 2.003 178.675 176.600 0.119 0.000 1.048 97 K CA 1.506 57.862 56.287 0.115 0.000 0.929 97 K CB -0.512 32.042 32.500 0.090 0.000 0.713 97 K HN 0.417 nan 8.250 nan 0.000 0.439 98 A N 1.602 124.501 122.820 0.132 0.000 1.892 98 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 98 A C 2.395 180.018 177.584 0.066 0.000 1.188 98 A CA 2.131 54.233 52.037 0.107 0.000 0.631 98 A CB -0.901 18.192 19.000 0.156 0.000 0.822 98 A HN 0.368 nan 8.150 nan 0.000 0.447 99 A N -0.167 122.729 122.820 0.127 0.000 1.883 99 A HA -0.121 4.199 4.320 -0.002 0.000 0.217 99 A C 2.145 179.850 177.584 0.201 0.000 1.186 99 A CA 1.638 53.819 52.037 0.240 0.000 0.624 99 A CB -0.647 18.678 19.000 0.541 0.000 0.822 99 A HN 0.518 nan 8.150 nan 0.000 0.444 100 I N -0.531 120.143 120.570 0.172 0.000 2.226 100 I HA -0.219 3.950 4.170 -0.002 0.000 0.245 100 I C 2.365 178.531 176.117 0.082 0.000 1.100 100 I CA 1.082 62.456 61.300 0.122 0.000 1.374 100 I CB -0.364 37.697 38.000 0.101 0.000 1.057 100 I HN 0.157 nan 8.210 nan 0.000 0.413 101 V N 0.810 120.766 119.914 0.069 0.000 2.282 101 V HA -0.308 3.811 4.120 -0.002 0.000 0.249 101 V C 2.429 178.539 176.094 0.027 0.000 1.057 101 V CA 1.986 64.313 62.300 0.045 0.000 1.032 101 V CB -0.603 31.246 31.823 0.044 0.000 0.645 101 V HN 0.372 nan 8.190 nan 0.000 0.447 102 L N 0.144 121.374 121.223 0.012 0.000 2.017 102 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 102 L C 2.517 179.381 176.870 -0.009 0.000 1.073 102 L CA 1.991 56.811 54.840 -0.033 0.000 0.745 102 L CB -0.866 41.117 42.059 -0.126 0.000 0.894 102 L HN 0.285 nan 8.230 nan 0.000 0.432 103 E N 0.073 120.301 120.200 0.047 0.000 2.077 103 E HA -0.231 4.118 4.350 -0.002 0.000 0.193 103 E C 2.223 178.849 176.600 0.043 0.000 0.989 103 E CA 1.246 57.681 56.400 0.058 0.000 0.800 103 E CB -0.225 29.537 29.700 0.103 0.000 0.746 103 E HN 0.559 nan 8.360 nan 0.000 0.452 104 K N 0.802 121.228 120.400 0.044 0.000 2.097 104 K HA -0.101 4.218 4.320 -0.002 0.000 0.206 104 K C 2.380 178.998 176.600 0.030 0.000 1.049 104 K CA 1.465 57.775 56.287 0.038 0.000 0.933 104 K CB -0.128 32.394 32.500 0.036 0.000 0.717 104 K HN 0.102 nan 8.250 nan 0.000 0.442 105 S N 1.182 116.893 115.700 0.018 0.000 2.368 105 S HA -0.109 4.360 4.470 -0.002 0.000 0.224 105 S C 2.037 176.645 174.600 0.013 0.000 1.029 105 S CA 0.803 59.011 58.200 0.013 0.000 0.988 105 S CB -0.556 62.645 63.200 0.001 0.000 0.838 105 S HN 0.182 nan 8.310 nan 0.000 0.462 106 L N 1.704 122.922 121.223 -0.008 0.000 2.012 106 L HA -0.123 4.216 4.340 -0.002 0.000 0.210 106 L C 2.917 179.832 176.870 0.076 0.000 1.073 106 L CA 1.727 56.562 54.840 -0.008 0.000 0.748 106 L CB -0.889 41.092 42.059 -0.131 0.000 0.891 106 L HN 0.373 nan 8.230 nan 0.000 0.431 107 N N -0.184 118.560 118.700 0.074 0.000 2.166 107 N HA -0.240 4.499 4.740 -0.002 0.000 0.186 107 N C 1.863 177.418 175.510 0.075 0.000 1.019 107 N CA 1.225 54.329 53.050 0.091 0.000 0.856 107 N CB -0.007 38.522 38.487 0.069 0.000 0.993 107 N HN 0.185 nan 8.380 nan 0.000 0.426 108 Q N 0.050 119.884 119.800 0.057 0.000 2.119 108 Q HA 0.135 4.474 4.340 -0.002 0.000 0.201 108 Q C 1.840 177.875 176.000 0.057 0.000 0.972 108 Q CA 1.708 57.540 55.803 0.048 0.000 0.847 108 Q CB -0.597 28.162 28.738 0.036 0.000 0.903 108 Q HN 0.398 nan 8.270 nan 0.000 0.433 109 A N 0.143 123.002 122.820 0.065 0.000 1.902 109 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 109 A C 2.092 179.729 177.584 0.088 0.000 1.181 109 A CA 1.449 53.530 52.037 0.074 0.000 0.623 109 A CB -0.827 18.224 19.000 0.084 0.000 0.818 109 A HN 0.448 nan 8.150 nan 0.000 0.443 110 L N -0.664 120.628 121.223 0.115 0.000 2.012 110 L HA -0.219 4.120 4.340 -0.002 0.000 0.210 110 L C 2.617 179.557 176.870 0.117 0.000 1.073 110 L CA 1.284 56.195 54.840 0.118 0.000 0.748 110 L CB -0.626 41.528 42.059 0.158 0.000 0.891 110 L HN 0.380 nan 8.230 nan 0.000 0.431 111 L N -0.563 120.715 121.223 0.092 0.000 2.046 111 L HA -0.236 4.103 4.340 -0.002 0.000 0.208 111 L C 2.315 179.243 176.870 0.096 0.000 1.077 111 L CA 1.150 56.035 54.840 0.076 0.000 0.747 111 L CB -0.665 41.418 42.059 0.039 0.000 0.896 111 L HN 0.295 nan 8.230 nan 0.000 0.432 112 D N 0.001 120.446 120.400 0.075 0.000 2.097 112 D HA -0.194 4.446 4.640 -0.002 0.000 0.195 112 D C 2.043 178.383 176.300 0.068 0.000 0.989 112 D CA 1.065 55.103 54.000 0.063 0.000 0.827 112 D CB -0.239 40.588 40.800 0.045 0.000 0.966 112 D HN 0.109 nan 8.370 nan 0.000 0.456 113 L N 0.621 121.887 121.223 0.071 0.000 2.083 113 L HA -0.164 4.175 4.340 -0.002 0.000 0.209 113 L C 2.173 179.087 176.870 0.073 0.000 1.083 113 L CA 1.769 56.642 54.840 0.055 0.000 0.752 113 L CB -0.703 41.383 42.059 0.045 0.000 0.899 113 L HN 0.164 nan 8.230 nan 0.000 0.433 114 H N -0.319 118.770 119.070 0.032 0.000 2.357 114 H HA -0.063 4.492 4.556 -0.002 0.000 0.301 114 H C 1.944 177.288 175.328 0.028 0.000 1.082 114 H CA 1.517 57.588 56.048 0.037 0.000 1.342 114 H CB 0.138 29.924 29.762 0.041 0.000 1.389 114 H HN 0.435 nan 8.280 nan 0.000 0.511 115 A N 1.136 124.078 122.820 0.203 0.000 1.933 115 A HA -0.127 4.192 4.320 -0.002 0.000 0.218 115 A C 2.584 180.194 177.584 0.043 0.000 1.175 115 A CA 1.390 53.502 52.037 0.126 0.000 0.628 115 A CB -0.795 18.261 19.000 0.093 0.000 0.814 115 A HN 0.429 nan 8.150 nan 0.000 0.444 116 L N -0.028 121.208 121.223 0.021 0.000 2.027 116 L HA 0.020 4.359 4.340 -0.002 0.000 0.206 116 L C 2.378 179.227 176.870 -0.035 0.000 1.074 116 L CA 2.338 57.172 54.840 -0.010 0.000 0.745 116 L CB -0.985 41.063 42.059 -0.018 0.000 0.898 116 L HN 0.275 nan 8.230 nan 0.000 0.433 117 G N -1.723 107.042 108.800 -0.059 0.000 2.422 117 G HA2 -0.289 3.671 3.960 -0.002 0.000 0.218 117 G HA3 -0.289 3.671 3.960 -0.002 0.000 0.218 117 G C 1.699 176.549 174.900 -0.083 0.000 1.146 117 G CA 0.926 45.979 45.100 -0.079 0.000 0.769 117 G HN 0.503 nan 8.290 nan 0.000 0.547 118 S N 0.879 116.519 115.700 -0.100 0.000 2.368 118 S HA 0.096 4.566 4.470 -0.002 0.000 0.224 118 S C 2.718 177.309 174.600 -0.015 0.000 1.029 118 S CA 1.566 59.733 58.200 -0.054 0.000 0.988 118 S CB -0.459 62.735 63.200 -0.009 0.000 0.838 118 S HN 0.522 nan 8.310 nan 0.000 0.462 119 A N 0.901 123.716 122.820 -0.009 0.000 1.972 119 A HA -0.035 4.284 4.320 -0.002 0.000 0.219 119 A C 2.121 179.696 177.584 -0.014 0.000 1.169 119 A CA 1.295 53.328 52.037 -0.006 0.000 0.635 119 A CB -0.480 18.518 19.000 -0.003 0.000 0.810 119 A HN 0.612 nan 8.150 nan 0.000 0.446 120 Q N -1.399 118.386 119.800 -0.024 0.000 2.403 120 Q HA 0.326 4.665 4.340 -0.002 0.000 0.203 120 Q C 0.685 176.676 176.000 -0.015 0.000 0.932 120 Q CA 0.639 56.427 55.803 -0.026 0.000 0.945 120 Q CB -0.248 28.464 28.738 -0.043 0.000 1.045 120 Q HN 0.949 nan 8.270 nan 0.000 0.511 121 A N 2.343 125.156 122.820 -0.011 0.000 2.519 121 A HA -0.176 4.143 4.320 -0.002 0.000 0.297 121 A C -0.255 177.334 177.584 0.008 0.000 1.472 121 A CA 0.908 52.944 52.037 -0.002 0.000 0.739 121 A CB -1.695 17.307 19.000 0.003 0.000 1.096 121 A HN 0.252 nan 8.150 nan 0.000 0.414 122 D N 0.314 120.716 120.400 0.003 0.000 2.485 122 D HA 0.381 5.020 4.640 -0.002 0.000 0.256 122 D C -0.771 175.548 176.300 0.031 0.000 1.141 122 D CA -1.481 52.540 54.000 0.036 0.000 0.942 122 D CB 0.824 41.653 40.800 0.048 0.000 1.003 122 D HN 0.283 nan 8.370 nan 0.000 0.507 123 P HA -0.162 nan 4.420 nan 0.000 0.219 123 P C 1.418 178.759 177.300 0.070 0.000 1.150 123 P CA 0.744 63.866 63.100 0.038 0.000 0.814 123 P CB 0.254 31.981 31.700 0.046 0.000 0.787 124 H N 0.535 119.624 119.070 0.032 0.000 2.353 124 H HA -0.112 4.443 4.556 -0.002 0.000 0.300 124 H C 1.944 177.328 175.328 0.094 0.000 1.090 124 H CA 1.277 57.358 56.048 0.054 0.000 1.327 124 H CB -0.508 29.267 29.762 0.021 0.000 1.383 124 H HN -0.041 nan 8.280 nan 0.000 0.508 125 L N 0.822 122.131 121.223 0.143 0.000 1.994 125 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 125 L C 2.859 179.771 176.870 0.070 0.000 1.071 125 L CA 1.886 56.795 54.840 0.116 0.000 0.745 125 L CB -1.152 40.971 42.059 0.106 0.000 0.892 125 L HN 0.334 nan 8.230 nan 0.000 0.431 126 C N -0.069 119.202 119.300 -0.050 0.000 2.413 126 C HA -0.182 4.277 4.460 -0.002 0.000 0.276 126 C C 2.523 177.541 174.990 0.048 0.000 1.236 126 C CA 1.108 60.037 59.018 -0.148 0.000 1.735 126 C CB -1.258 26.295 27.740 -0.311 0.000 2.031 126 C HN 0.762 nan 8.230 nan 0.000 0.474 127 D N -0.192 120.218 120.400 0.015 0.000 2.117 127 D HA -0.180 4.459 4.640 -0.002 0.000 0.198 127 D C 1.881 178.179 176.300 -0.005 0.000 0.982 127 D CA 1.095 55.093 54.000 -0.003 0.000 0.828 127 D CB -0.420 40.355 40.800 -0.040 0.000 0.967 127 D HN 0.484 nan 8.370 nan 0.000 0.464 128 F N 0.730 120.583 119.950 -0.162 0.000 2.126 128 F HA -0.126 4.400 4.527 -0.002 0.000 0.299 128 F C 1.885 177.779 175.800 0.157 0.000 1.096 128 F CA 1.421 59.406 58.000 -0.027 0.000 1.255 128 F CB -0.216 38.733 39.000 -0.084 0.000 0.997 128 F HN 0.017 nan 8.300 nan 0.000 0.479 129 L N -0.138 121.181 121.223 0.159 0.000 2.109 129 L HA -0.139 4.200 4.340 -0.002 0.000 0.207 129 L C 2.334 179.275 176.870 0.119 0.000 1.086 129 L CA 1.401 56.323 54.840 0.137 0.000 0.760 129 L CB -0.660 41.530 42.059 0.218 0.000 0.910 129 L HN 0.182 nan 8.230 nan 0.000 0.437 130 E N -0.390 119.859 120.200 0.081 0.000 2.072 130 E HA -0.134 4.215 4.350 -0.002 0.000 0.190 130 E C 2.312 178.860 176.600 -0.088 0.000 0.982 130 E CA 1.342 57.757 56.400 0.024 0.000 0.803 130 E CB 0.026 29.753 29.700 0.044 0.000 0.755 130 E HN 0.328 nan 8.360 nan 0.000 0.453 131 S N 0.110 115.676 115.700 -0.223 0.000 2.368 131 S HA -0.104 4.365 4.470 -0.002 0.000 0.224 131 S C 1.514 175.783 174.600 -0.552 0.000 1.029 131 S CA 0.967 58.892 58.200 -0.459 0.000 0.988 131 S CB -0.123 62.627 63.200 -0.749 0.000 0.838 131 S HN 0.356 nan 8.310 nan 0.000 0.462 132 H N -1.903 117.044 119.070 -0.205 0.000 2.874 132 H HA 0.367 4.922 4.556 -0.002 0.000 0.264 132 H C 0.610 175.591 175.328 -0.577 0.000 1.007 132 H CA 0.168 55.978 56.048 -0.396 0.000 1.207 132 H CB 0.338 29.754 29.762 -0.577 0.000 1.487 132 H HN 0.386 nan 8.280 nan 0.000 0.505 133 F N -0.490 119.407 119.950 -0.089 0.000 2.421 133 F HA 0.151 4.678 4.527 -0.001 0.000 0.270 133 F C 2.161 177.970 175.800 0.015 0.000 0.894 133 F CA -0.055 57.934 58.000 -0.017 0.000 1.128 133 F CB -0.038 38.949 39.000 -0.022 0.000 1.011 133 F HN -0.142 nan 8.300 nan 0.000 0.788 134 L N 0.244 121.575 121.223 0.180 0.000 2.046 134 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 134 L C 1.853 178.749 176.870 0.044 0.000 1.077 134 L CA 1.886 56.787 54.840 0.101 0.000 0.747 134 L CB -0.448 41.641 42.059 0.050 0.000 0.896 134 L HN 0.173 nan 8.230 nan 0.000 0.432 135 D N -0.206 120.198 120.400 0.007 0.000 2.162 135 D HA -0.154 4.485 4.640 -0.002 0.000 0.203 135 D C 2.104 178.396 176.300 -0.013 0.000 0.967 135 D CA 0.825 54.816 54.000 -0.014 0.000 0.840 135 D CB 0.190 40.968 40.800 -0.037 0.000 0.972 135 D HN 0.195 nan 8.370 nan 0.000 0.482 136 E N 0.101 120.287 120.200 -0.023 0.000 2.070 136 E HA -0.198 4.151 4.350 -0.002 0.000 0.197 136 E C 1.933 178.541 176.600 0.012 0.000 1.004 136 E CA 0.900 57.284 56.400 -0.026 0.000 0.805 136 E CB 0.045 29.704 29.700 -0.069 0.000 0.744 136 E HN 0.324 nan 8.360 nan 0.000 0.451 137 E N 0.358 120.591 120.200 0.055 0.000 2.031 137 E HA -0.150 4.199 4.350 -0.002 0.000 0.193 137 E C 2.341 178.966 176.600 0.042 0.000 0.994 137 E CA 0.630 57.074 56.400 0.073 0.000 0.800 137 E CB -0.485 29.284 29.700 0.114 0.000 0.752 137 E HN 0.096 nan 8.360 nan 0.000 0.447 138 V N 1.736 121.668 119.914 0.029 0.000 2.282 138 V HA -0.291 3.828 4.120 -0.002 0.000 0.249 138 V C 2.335 178.432 176.094 0.004 0.000 1.057 138 V CA 2.017 64.325 62.300 0.014 0.000 1.032 138 V CB -0.386 31.439 31.823 0.004 0.000 0.645 138 V HN 0.252 nan 8.190 nan 0.000 0.447 139 K N -0.706 119.692 120.400 -0.004 0.000 2.057 139 K HA -0.162 4.158 4.320 -0.002 0.000 0.206 139 K C 2.084 178.675 176.600 -0.015 0.000 1.050 139 K CA 1.355 57.633 56.287 -0.015 0.000 0.935 139 K CB -0.345 32.142 32.500 -0.022 0.000 0.715 139 K HN 0.282 nan 8.250 nan 0.000 0.439 140 L N 1.578 122.799 121.223 -0.004 0.000 2.027 140 L HA -0.107 4.232 4.340 -0.002 0.000 0.206 140 L C 1.926 178.808 176.870 0.020 0.000 1.074 140 L CA 1.464 56.306 54.840 0.003 0.000 0.745 140 L CB -0.233 41.830 42.059 0.007 0.000 0.898 140 L HN 0.112 nan 8.230 nan 0.000 0.433 141 I N -0.426 120.162 120.570 0.029 0.000 2.208 141 I HA -0.312 3.857 4.170 -0.002 0.000 0.245 141 I C 2.490 178.613 176.117 0.010 0.000 1.097 141 I CA 1.438 62.759 61.300 0.036 0.000 1.363 141 I CB -0.410 37.613 38.000 0.039 0.000 1.051 141 I HN 0.258 nan 8.210 nan 0.000 0.413 142 K N 1.798 122.194 120.400 -0.007 0.000 2.032 142 K HA -0.261 4.059 4.320 -0.002 0.000 0.209 142 K C 2.024 178.586 176.600 -0.065 0.000 1.048 142 K CA 1.813 58.085 56.287 -0.026 0.000 0.927 142 K CB -0.267 32.218 32.500 -0.025 0.000 0.712 142 K HN -0.041 nan 8.250 nan 0.000 0.441 143 K N 0.395 120.740 120.400 -0.091 0.000 2.032 143 K HA -0.050 4.269 4.320 -0.002 0.000 0.209 143 K C 1.998 178.396 176.600 -0.338 0.000 1.048 143 K CA 2.050 58.205 56.287 -0.221 0.000 0.927 143 K CB -0.263 32.139 32.500 -0.163 0.000 0.712 143 K HN 0.284 nan 8.250 nan 0.000 0.441 144 M N -0.734 118.800 119.600 -0.110 0.000 2.117 144 M HA -0.053 4.426 4.480 -0.002 0.000 0.262 144 M C 2.200 178.505 176.300 0.009 0.000 1.065 144 M CA 1.811 57.114 55.300 0.005 0.000 1.114 144 M CB -0.608 32.072 32.600 0.133 0.000 1.361 144 M HN 0.410 nan 8.290 nan 0.000 0.408 145 G N 0.296 109.093 108.800 -0.006 0.000 2.418 145 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.217 145 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.217 145 G C 0.967 175.862 174.900 -0.008 0.000 1.158 145 G CA 1.160 46.261 45.100 0.001 0.000 0.771 145 G HN 0.335 nan 8.290 nan 0.000 0.545 146 D N 0.251 120.627 120.400 -0.039 0.000 2.092 146 D HA -0.107 4.533 4.640 -0.002 0.000 0.193 146 D C 2.266 178.612 176.300 0.077 0.000 0.994 146 D CA 1.046 55.039 54.000 -0.012 0.000 0.828 146 D CB -0.465 40.301 40.800 -0.057 0.000 0.963 146 D HN 0.274 nan 8.370 nan 0.000 0.450 147 H N 0.354 119.436 119.070 0.020 0.000 2.319 147 H HA -0.064 4.491 4.556 -0.002 0.000 0.297 147 H C 2.378 177.587 175.328 -0.198 0.000 1.097 147 H CA 0.517 56.571 56.048 0.009 0.000 1.285 147 H CB -0.852 28.904 29.762 -0.009 0.000 1.368 147 H HN 0.131 nan 8.280 nan 0.000 0.495 148 L N 0.099 121.321 121.223 -0.001 0.000 2.012 148 L HA -0.214 4.125 4.340 -0.002 0.000 0.210 148 L C 2.222 179.039 176.870 -0.089 0.000 1.073 148 L CA 1.799 56.595 54.840 -0.074 0.000 0.748 148 L CB -0.443 41.610 42.059 -0.011 0.000 0.891 148 L HN 0.304 nan 8.230 nan 0.000 0.431 149 T N -0.344 114.188 114.554 -0.038 0.000 2.746 149 T HA -0.172 4.177 4.350 -0.002 0.000 0.267 149 T C 1.683 176.357 174.700 -0.044 0.000 1.039 149 T CA 1.443 63.526 62.100 -0.028 0.000 1.142 149 T CB -0.217 68.650 68.868 -0.002 0.000 0.866 149 T HN 0.379 nan 8.240 nan 0.000 0.444 150 N N 0.864 119.541 118.700 -0.038 0.000 2.142 150 N HA 0.021 4.760 4.740 -0.002 0.000 0.186 150 N C 1.961 177.365 175.510 -0.177 0.000 1.023 150 N CA 1.021 54.059 53.050 -0.021 0.000 0.852 150 N CB -0.235 38.357 38.487 0.175 0.000 0.998 150 N HN 0.390 nan 8.380 nan 0.000 0.424 151 I N 1.663 121.954 120.570 -0.465 0.000 2.179 151 I HA -0.270 3.899 4.170 -0.002 0.000 0.242 151 I C 2.373 178.359 176.117 -0.219 0.000 1.088 151 I CA 1.130 62.112 61.300 -0.529 0.000 1.357 151 I CB -0.303 37.284 38.000 -0.688 0.000 1.051 151 I HN 0.106 nan 8.210 nan 0.000 0.409 152 Q N 0.314 120.025 119.800 -0.149 0.000 2.084 152 Q HA -0.234 4.105 4.340 -0.002 0.000 0.202 152 Q C 2.379 178.351 176.000 -0.046 0.000 0.978 152 Q CA 1.404 57.163 55.803 -0.074 0.000 0.844 152 Q CB -0.290 28.419 28.738 -0.049 0.000 0.898 152 Q HN 0.401 nan 8.270 nan 0.000 0.426 153 R N 0.760 121.235 120.500 -0.042 0.000 2.105 153 R HA -0.150 4.189 4.340 -0.002 0.000 0.239 153 R C 1.997 178.292 176.300 -0.008 0.000 1.135 153 R CA 1.091 57.181 56.100 -0.016 0.000 0.967 153 R CB -0.116 30.180 30.300 -0.007 0.000 0.861 153 R HN 0.266 nan 8.270 nan 0.000 0.442 154 L N 0.402 121.615 121.223 -0.016 0.000 2.095 154 L HA -0.079 4.260 4.340 -0.002 0.000 0.204 154 L C 2.357 179.232 176.870 0.009 0.000 1.080 154 L CA 0.823 55.667 54.840 0.007 0.000 0.759 154 L CB -0.098 41.970 42.059 0.016 0.000 0.914 154 L HN 0.167 nan 8.230 nan 0.000 0.439 155 V N -3.831 116.077 119.914 -0.009 0.000 3.406 155 V HA 0.176 4.295 4.120 -0.002 0.000 0.263 155 V C 2.072 178.170 176.094 0.008 0.000 1.172 155 V CA 0.998 63.302 62.300 0.005 0.000 1.140 155 V CB -0.807 31.017 31.823 0.001 0.000 0.784 155 V HN 0.305 nan 8.190 nan 0.000 0.467 156 G N 0.971 109.772 108.800 0.002 0.000 2.433 156 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.216 156 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.216 156 G C 1.597 176.503 174.900 0.010 0.000 1.186 156 G CA 1.216 46.319 45.100 0.005 0.000 0.779 156 G HN 0.534 nan 8.290 nan 0.000 0.543 157 S N -0.105 115.603 115.700 0.012 0.000 2.398 157 S HA -0.043 4.426 4.470 -0.002 0.000 0.220 157 S C 0.983 175.595 174.600 0.019 0.000 1.038 157 S CA 1.122 59.331 58.200 0.016 0.000 1.080 157 S CB -0.158 63.054 63.200 0.019 0.000 1.039 157 S HN 0.501 nan 8.310 nan 0.000 0.419 158 Q N -1.754 118.061 119.800 0.025 0.000 2.334 158 Q HA 0.530 4.869 4.340 -0.002 0.000 0.249 158 Q C 0.095 176.117 176.000 0.037 0.000 0.909 158 Q CA -0.133 55.687 55.803 0.028 0.000 0.823 158 Q CB 1.842 30.597 28.738 0.028 0.000 1.353 158 Q HN 0.314 nan 8.270 nan 0.000 0.433 159 A N 2.234 125.075 122.820 0.036 0.000 1.855 159 A HA -0.043 4.276 4.320 -0.002 0.000 0.215 159 A C 1.685 179.308 177.584 0.064 0.000 1.191 159 A CA 1.979 54.043 52.037 0.045 0.000 0.613 159 A CB -0.707 18.318 19.000 0.043 0.000 0.829 159 A HN 0.849 nan 8.150 nan 0.000 0.442 160 G N -0.148 108.688 108.800 0.060 0.000 2.414 160 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.215 160 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.215 160 G C 1.507 176.464 174.900 0.095 0.000 1.188 160 G CA 1.188 46.332 45.100 0.073 0.000 0.783 160 G HN 0.477 nan 8.290 nan 0.000 0.537 161 L N 1.742 123.009 121.223 0.072 0.000 2.013 161 L HA 0.034 4.373 4.340 -0.002 0.000 0.212 161 L C 2.796 179.754 176.870 0.147 0.000 1.073 161 L CA 2.643 57.541 54.840 0.097 0.000 0.753 161 L CB -1.087 41.008 42.059 0.061 0.000 0.890 161 L HN 0.183 nan 8.230 nan 0.000 0.432 162 G N -1.474 107.389 108.800 0.105 0.000 2.418 162 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.217 162 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.217 162 G C 1.526 176.501 174.900 0.125 0.000 1.158 162 G CA 0.787 45.946 45.100 0.098 0.000 0.771 162 G HN 0.545 nan 8.290 nan 0.000 0.545 163 E N -0.852 119.425 120.200 0.128 0.000 2.077 163 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 163 E C 2.040 178.755 176.600 0.192 0.000 0.989 163 E CA 0.891 57.381 56.400 0.149 0.000 0.800 163 E CB -0.250 29.539 29.700 0.148 0.000 0.746 163 E HN 0.558 nan 8.360 nan 0.000 0.452 164 Y N 0.890 121.233 120.300 0.073 0.000 2.163 164 Y HA -0.183 4.366 4.550 -0.001 0.000 0.288 164 Y C 1.902 177.825 175.900 0.038 0.000 1.136 164 Y CA 1.534 59.664 58.100 0.050 0.000 1.147 164 Y CB -0.265 38.215 38.460 0.034 0.000 0.987 164 Y HN 0.004 nan 8.280 nan 0.000 0.509 165 L N -1.125 120.160 121.223 0.103 0.000 2.042 165 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 165 L C 2.365 179.199 176.870 -0.059 0.000 1.076 165 L CA 1.680 56.511 54.840 -0.015 0.000 0.749 165 L CB -0.727 41.385 42.059 0.089 0.000 0.893 165 L HN 0.313 nan 8.230 nan 0.000 0.432 166 F N 0.841 120.717 119.950 -0.123 0.000 2.102 166 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 166 F C 2.691 178.350 175.800 -0.235 0.000 1.105 166 F CA 1.793 59.693 58.000 -0.166 0.000 1.239 166 F CB -0.195 38.714 39.000 -0.151 0.000 0.991 166 F HN 0.057 nan 8.300 nan 0.000 0.474 167 E N 0.567 120.665 120.200 -0.170 0.000 2.077 167 E HA -0.217 4.132 4.350 -0.002 0.000 0.193 167 E C 2.285 178.657 176.600 -0.380 0.000 0.989 167 E CA 1.094 57.316 56.400 -0.296 0.000 0.800 167 E CB -0.124 29.489 29.700 -0.144 0.000 0.746 167 E HN 0.329 nan 8.360 nan 0.000 0.452 168 R N -0.101 120.144 120.500 -0.425 0.000 2.075 168 R HA 0.001 4.340 4.340 -0.002 0.000 0.232 168 R C 2.491 178.597 176.300 -0.323 0.000 1.126 168 R CA 0.827 56.679 56.100 -0.413 0.000 0.963 168 R CB -0.379 29.588 30.300 -0.555 0.000 0.858 168 R HN 0.303 nan 8.270 nan 0.000 0.435 169 L N -0.858 120.172 121.223 -0.322 0.000 2.556 169 L HA 0.113 4.452 4.340 -0.002 0.000 0.226 169 L C 1.592 178.275 176.870 -0.311 0.000 1.089 169 L CA 0.469 55.156 54.840 -0.255 0.000 0.864 169 L CB 0.213 42.170 42.059 -0.171 0.000 1.067 169 L HN 0.074 nan 8.230 nan 0.000 0.477 170 T N -0.369 113.873 114.554 -0.520 0.000 3.045 170 T HA 0.242 4.591 4.350 -0.002 0.000 0.239 170 T C 0.973 175.321 174.700 -0.586 0.000 1.008 170 T CA 0.117 61.850 62.100 -0.611 0.000 1.143 170 T CB 0.337 68.585 68.868 -1.032 0.000 0.894 170 T HN -0.084 nan 8.240 nan 0.000 0.451 171 L N 0.000 120.801 121.223 -0.704 0.000 2.949 171 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 171 L CA 0.000 54.533 54.840 -0.511 0.000 0.813 171 L CB 0.000 41.730 42.059 -0.548 0.000 0.961 171 L HN 0.000 nan 8.230 nan 0.000 0.502