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 1aew_1_A DATA FIRST_RESID 6 DATA SEQUENCE SQIRQNYSTE VEAAVNRLVN LYLRASYTYL SLGFYFDRDD VALEGVCHFF DATA SEQUENCE RELAEEKREG AERLLKMQNQ RGGRALFQDL QKPSQDEWGT TPDAMKAAIV DATA SEQUENCE LEKSLNQALL DLHALGSAQA DPHLCDFLES HFLDEEVKLI KKMGDHLTNI DATA SEQUENCE QRLVGSQAGL GEYLFERLTL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.594 174.600 -0.010 0.000 1.055 6 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 6 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 7 Q N 1.778 121.570 119.800 -0.014 0.000 2.084 7 Q HA 0.031 4.371 4.340 -0.001 0.000 0.202 7 Q C 1.931 177.916 176.000 -0.025 0.000 0.978 7 Q CA 2.287 58.079 55.803 -0.018 0.000 0.844 7 Q CB -0.178 28.549 28.738 -0.018 0.000 0.898 7 Q HN 0.876 nan 8.270 nan 0.000 0.426 8 I N -3.266 117.283 120.570 -0.035 0.000 4.035 8 I HA 0.223 4.393 4.170 -0.001 0.000 0.321 8 I C 0.618 176.700 176.117 -0.058 0.000 1.289 8 I CA -0.452 60.817 61.300 -0.051 0.000 1.236 8 I CB 0.143 38.102 38.000 -0.069 0.000 1.076 8 I HN -0.145 nan 8.210 nan 0.000 0.418 9 R N 3.114 123.590 120.500 -0.040 0.000 2.502 9 R HA 0.108 4.448 4.340 -0.001 0.000 0.292 9 R C -0.464 175.831 176.300 -0.007 0.000 0.998 9 R CA 0.529 56.616 56.100 -0.021 0.000 1.056 9 R CB 0.310 30.624 30.300 0.024 0.000 0.939 9 R HN 0.517 nan 8.270 nan 0.000 0.411 10 Q N 3.796 123.594 119.800 -0.005 0.000 2.280 10 Q HA 0.071 4.411 4.340 -0.001 0.000 0.259 10 Q C -1.058 174.963 176.000 0.035 0.000 0.964 10 Q CA -0.532 55.273 55.803 0.005 0.000 0.844 10 Q CB 1.135 29.859 28.738 -0.023 0.000 1.334 10 Q HN 0.797 nan 8.270 nan 0.000 0.423 11 N N 2.243 120.972 118.700 0.050 0.000 2.747 11 N HA -0.256 4.484 4.740 -0.001 0.000 0.249 11 N C -2.132 173.457 175.510 0.132 0.000 1.107 11 N CA 0.949 54.037 53.050 0.062 0.000 0.707 11 N CB -0.959 37.556 38.487 0.047 0.000 1.054 11 N HN 0.582 nan 8.380 nan 0.000 0.555 12 Y N 0.882 121.159 120.300 -0.037 0.000 2.575 12 Y HA 0.458 5.007 4.550 -0.001 0.000 0.326 12 Y C 0.208 176.086 175.900 -0.037 0.000 0.979 12 Y CA -0.824 57.251 58.100 -0.041 0.000 1.286 12 Y CB 0.204 38.630 38.460 -0.057 0.000 1.093 12 Y HN 0.228 nan 8.280 nan 0.000 0.501 13 S N 1.409 116.961 115.700 -0.247 0.000 2.584 13 S HA 0.037 4.506 4.470 -0.001 0.000 0.270 13 S C 1.311 175.710 174.600 -0.335 0.000 1.346 13 S CA 0.114 58.176 58.200 -0.229 0.000 1.018 13 S CB 1.077 64.181 63.200 -0.160 0.000 0.899 13 S HN 0.767 nan 8.310 nan 0.000 0.542 14 T N -0.706 113.729 114.554 -0.198 0.000 2.951 14 T HA -0.044 4.305 4.350 -0.001 0.000 0.268 14 T C 1.196 175.790 174.700 -0.178 0.000 1.073 14 T CA 1.160 63.155 62.100 -0.175 0.000 1.134 14 T CB -0.575 68.234 68.868 -0.099 0.000 0.884 14 T HN 0.693 nan 8.240 nan 0.000 0.479 15 E N 1.025 121.129 120.200 -0.161 0.000 2.072 15 E HA 0.004 4.354 4.350 -0.001 0.000 0.191 15 E C 2.340 178.843 176.600 -0.162 0.000 0.985 15 E CA 0.804 57.126 56.400 -0.130 0.000 0.801 15 E CB -0.536 29.106 29.700 -0.096 0.000 0.750 15 E HN 0.327 nan 8.360 nan 0.000 0.452 16 V N 1.031 120.799 119.914 -0.243 0.000 2.358 16 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 16 V C 2.350 178.266 176.094 -0.298 0.000 1.047 16 V CA 1.938 64.082 62.300 -0.261 0.000 1.035 16 V CB -0.386 31.239 31.823 -0.329 0.000 0.658 16 V HN 0.315 nan 8.190 nan 0.000 0.452 17 E N 0.450 120.369 120.200 -0.469 0.000 2.070 17 E HA -0.282 4.067 4.350 -0.001 0.000 0.197 17 E C 2.193 178.715 176.600 -0.129 0.000 1.004 17 E CA 1.749 57.976 56.400 -0.288 0.000 0.805 17 E CB -0.237 29.311 29.700 -0.253 0.000 0.744 17 E HN 0.563 nan 8.360 nan 0.000 0.451 18 A N 1.043 123.786 122.820 -0.127 0.000 1.898 18 A HA -0.033 4.286 4.320 -0.001 0.000 0.216 18 A C 2.404 179.949 177.584 -0.065 0.000 1.181 18 A CA 1.727 53.715 52.037 -0.083 0.000 0.620 18 A CB -0.755 18.201 19.000 -0.073 0.000 0.819 18 A HN 0.432 nan 8.150 nan 0.000 0.442 19 A N -0.508 122.271 122.820 -0.069 0.000 1.933 19 A HA -0.006 4.314 4.320 -0.001 0.000 0.218 19 A C 2.213 179.778 177.584 -0.032 0.000 1.175 19 A CA 1.770 53.782 52.037 -0.042 0.000 0.628 19 A CB -0.896 18.079 19.000 -0.042 0.000 0.814 19 A HN 0.374 nan 8.150 nan 0.000 0.444 20 V N 0.939 120.829 119.914 -0.040 0.000 2.343 20 V HA -0.266 3.854 4.120 -0.001 0.000 0.247 20 V C 2.320 178.392 176.094 -0.037 0.000 1.051 20 V CA 2.144 64.428 62.300 -0.027 0.000 1.036 20 V CB -0.940 30.887 31.823 0.006 0.000 0.654 20 V HN 0.553 nan 8.190 nan 0.000 0.451 21 N N -0.037 118.629 118.700 -0.057 0.000 2.166 21 N HA -0.172 4.568 4.740 -0.001 0.000 0.186 21 N C 1.991 177.477 175.510 -0.040 0.000 1.019 21 N CA 1.292 54.291 53.050 -0.085 0.000 0.856 21 N CB -0.425 37.994 38.487 -0.112 0.000 0.993 21 N HN 0.409 nan 8.380 nan 0.000 0.426 22 R N 0.471 120.961 120.500 -0.017 0.000 2.075 22 R HA -0.061 4.279 4.340 -0.001 0.000 0.232 22 R C 1.958 178.288 176.300 0.049 0.000 1.126 22 R CA 0.755 56.864 56.100 0.014 0.000 0.963 22 R CB -0.391 29.915 30.300 0.011 0.000 0.858 22 R HN 0.109 nan 8.270 nan 0.000 0.435 23 L N 0.845 122.095 121.223 0.046 0.000 2.083 23 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 23 L C 2.176 179.141 176.870 0.160 0.000 1.083 23 L CA 1.354 56.254 54.840 0.100 0.000 0.752 23 L CB -0.387 41.693 42.059 0.034 0.000 0.899 23 L HN -0.043 nan 8.230 nan 0.000 0.433 24 V N 0.042 120.006 119.914 0.082 0.000 2.343 24 V HA -0.315 3.804 4.120 -0.001 0.000 0.247 24 V C 2.496 178.700 176.094 0.183 0.000 1.051 24 V CA 2.028 64.398 62.300 0.116 0.000 1.036 24 V CB -0.874 30.979 31.823 0.050 0.000 0.654 24 V HN 0.634 nan 8.190 nan 0.000 0.451 25 N N 0.179 118.961 118.700 0.137 0.000 2.166 25 N HA -0.136 4.603 4.740 -0.001 0.000 0.186 25 N C 1.873 177.471 175.510 0.146 0.000 1.019 25 N CA 1.433 54.567 53.050 0.140 0.000 0.856 25 N CB -0.053 38.494 38.487 0.099 0.000 0.993 25 N HN 0.443 nan 8.380 nan 0.000 0.426 26 L N -0.351 120.962 121.223 0.149 0.000 2.046 26 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 26 L C 2.143 179.074 176.870 0.102 0.000 1.077 26 L CA 1.091 55.998 54.840 0.112 0.000 0.747 26 L CB -0.599 41.521 42.059 0.101 0.000 0.896 26 L HN 0.186 nan 8.230 nan 0.000 0.432 27 Y N -0.167 120.187 120.300 0.089 0.000 2.200 27 Y HA -0.200 4.349 4.550 -0.001 0.000 0.290 27 Y C 2.432 178.407 175.900 0.125 0.000 1.137 27 Y CA 1.145 59.316 58.100 0.119 0.000 1.163 27 Y CB -0.058 38.488 38.460 0.143 0.000 0.988 27 Y HN 0.048 nan 8.280 nan 0.000 0.518 28 L N -0.707 120.672 121.223 0.259 0.000 2.141 28 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 28 L C 2.608 179.572 176.870 0.158 0.000 1.094 28 L CA 1.101 56.053 54.840 0.188 0.000 0.763 28 L CB -0.408 41.746 42.059 0.159 0.000 0.908 28 L HN 0.133 nan 8.230 nan 0.000 0.437 29 R N 0.071 120.655 120.500 0.141 0.000 2.092 29 R HA -0.112 4.227 4.340 -0.001 0.000 0.231 29 R C 2.284 178.632 176.300 0.081 0.000 1.119 29 R CA 1.287 57.474 56.100 0.144 0.000 0.970 29 R CB -0.132 30.230 30.300 0.103 0.000 0.864 29 R HN 0.340 nan 8.270 nan 0.000 0.440 30 A N -0.242 122.578 122.820 0.000 0.000 1.930 30 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 30 A C 2.134 179.690 177.584 -0.045 0.000 1.175 30 A CA 1.750 53.705 52.037 -0.136 0.000 0.627 30 A CB -0.572 18.322 19.000 -0.177 0.000 0.815 30 A HN 0.375 nan 8.150 nan 0.000 0.443 31 S N -1.854 113.924 115.700 0.130 0.000 2.368 31 S HA -0.194 4.275 4.470 -0.001 0.000 0.225 31 S C 1.954 176.704 174.600 0.250 0.000 1.030 31 S CA 1.639 59.975 58.200 0.226 0.000 0.999 31 S CB -0.528 62.798 63.200 0.211 0.000 0.844 31 S HN 0.606 nan 8.310 nan 0.000 0.459 32 Y N 2.433 122.769 120.300 0.060 0.000 2.181 32 Y HA -0.034 4.515 4.550 -0.001 0.000 0.288 32 Y C 2.636 178.558 175.900 0.037 0.000 1.146 32 Y CA 1.757 59.895 58.100 0.063 0.000 1.164 32 Y CB -1.205 37.287 38.460 0.053 0.000 0.982 32 Y HN 0.274 nan 8.280 nan 0.000 0.515 33 T N -0.212 114.342 114.554 0.001 0.000 2.746 33 T HA -0.212 4.138 4.350 -0.001 0.000 0.267 33 T C 1.593 176.118 174.700 -0.292 0.000 1.039 33 T CA 1.835 63.812 62.100 -0.206 0.000 1.142 33 T CB -0.559 68.108 68.868 -0.337 0.000 0.866 33 T HN 0.294 nan 8.240 nan 0.000 0.444 34 Y N 0.697 120.931 120.300 -0.110 0.000 2.352 34 Y HA 0.100 4.649 4.550 -0.001 0.000 0.292 34 Y C 2.048 177.932 175.900 -0.028 0.000 1.136 34 Y CA -0.292 57.728 58.100 -0.134 0.000 1.227 34 Y CB -0.737 37.711 38.460 -0.020 0.000 0.991 34 Y HN 0.121 nan 8.280 nan 0.000 0.545 35 L N -0.978 120.381 121.223 0.227 0.000 2.056 35 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 35 L C 2.609 179.665 176.870 0.310 0.000 1.078 35 L CA 2.017 57.035 54.840 0.297 0.000 0.749 35 L CB -0.948 41.327 42.059 0.359 0.000 0.901 35 L HN 0.155 nan 8.230 nan 0.000 0.433 36 S N -0.983 114.816 115.700 0.166 0.000 2.368 36 S HA -0.161 4.309 4.470 -0.001 0.000 0.224 36 S C 2.076 176.778 174.600 0.169 0.000 1.029 36 S CA 1.508 59.833 58.200 0.209 0.000 0.988 36 S CB -0.415 62.908 63.200 0.205 0.000 0.838 36 S HN 0.465 nan 8.310 nan 0.000 0.462 37 L N 0.877 121.956 121.223 -0.240 0.000 2.046 37 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 37 L C 2.788 179.762 176.870 0.173 0.000 1.077 37 L CA 1.352 55.892 54.840 -0.500 0.000 0.747 37 L CB -0.950 40.449 42.059 -1.099 0.000 0.896 37 L HN 0.508 nan 8.230 nan 0.000 0.432 38 G N -0.741 108.185 108.800 0.210 0.000 2.433 38 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.216 38 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.216 38 G C 1.383 176.364 174.900 0.134 0.000 1.186 38 G CA 0.586 45.823 45.100 0.228 0.000 0.779 38 G HN 0.258 nan 8.290 nan 0.000 0.543 39 F N -0.684 119.406 119.950 0.233 0.000 2.365 39 F HA 0.059 4.586 4.527 -0.001 0.000 0.300 39 F C 2.246 178.170 175.800 0.207 0.000 1.090 39 F CA 0.832 58.948 58.000 0.193 0.000 1.408 39 F CB -0.178 38.912 39.000 0.150 0.000 1.060 39 F HN 0.240 nan 8.300 nan 0.000 0.534 40 Y N -0.501 119.960 120.300 0.268 0.000 2.200 40 Y HA -0.221 4.328 4.550 -0.001 0.000 0.290 40 Y C 1.688 177.585 175.900 -0.004 0.000 1.137 40 Y CA 1.470 59.644 58.100 0.124 0.000 1.163 40 Y CB -0.738 37.806 38.460 0.141 0.000 0.988 40 Y HN -0.012 nan 8.280 nan 0.000 0.518 41 F N 0.192 120.231 119.950 0.150 0.000 2.748 41 F HA 0.009 4.535 4.527 -0.001 0.000 0.299 41 F C 1.756 177.566 175.800 0.018 0.000 1.154 41 F CA 1.278 59.308 58.000 0.049 0.000 1.446 41 F CB -0.272 38.855 39.000 0.212 0.000 1.112 41 F HN 0.167 nan 8.300 nan 0.000 0.584 42 D N -0.260 120.234 120.400 0.157 0.000 2.350 42 D HA 0.002 4.641 4.640 -0.001 0.000 0.213 42 D C 0.772 177.123 176.300 0.085 0.000 1.031 42 D CA 0.094 54.167 54.000 0.122 0.000 0.861 42 D CB 0.183 41.050 40.800 0.112 0.000 0.926 42 D HN 0.007 nan 8.370 nan 0.000 0.520 43 R N 0.346 120.849 120.500 0.006 0.000 2.623 43 R HA 0.067 4.407 4.340 -0.001 0.000 0.271 43 R C 1.088 177.374 176.300 -0.023 0.000 1.043 43 R CA 0.619 56.702 56.100 -0.030 0.000 1.083 43 R CB 0.538 30.751 30.300 -0.146 0.000 0.974 43 R HN 0.305 nan 8.270 nan 0.000 0.436 44 D N 0.787 121.188 120.400 0.002 0.000 2.218 44 D HA -0.201 4.438 4.640 -0.001 0.000 0.204 44 D C 0.641 176.938 176.300 -0.005 0.000 0.976 44 D CA 1.275 55.281 54.000 0.010 0.000 0.853 44 D CB 0.080 40.891 40.800 0.018 0.000 0.939 44 D HN 0.609 nan 8.370 nan 0.000 0.481 45 D N -0.096 120.285 120.400 -0.032 0.000 2.325 45 D HA -0.013 4.626 4.640 -0.001 0.000 0.225 45 D C 1.323 177.586 176.300 -0.062 0.000 1.096 45 D CA -0.078 53.902 54.000 -0.034 0.000 0.844 45 D CB 0.538 41.321 40.800 -0.029 0.000 0.925 45 D HN 0.369 nan 8.370 nan 0.000 0.513 46 V N 0.060 119.919 119.914 -0.092 0.000 3.054 46 V HA 0.363 4.482 4.120 -0.001 0.000 0.227 46 V C 0.953 177.067 176.094 0.033 0.000 1.252 46 V CA 0.259 62.496 62.300 -0.105 0.000 1.279 46 V CB -0.524 31.059 31.823 -0.400 0.000 1.118 46 V HN 0.311 nan 8.190 nan 0.000 0.504 47 A N 1.141 123.985 122.820 0.039 0.000 2.362 47 A HA -0.204 4.115 4.320 -0.001 0.000 0.290 47 A C -0.161 177.510 177.584 0.144 0.000 1.441 47 A CA 0.895 52.988 52.037 0.092 0.000 0.743 47 A CB -1.878 17.164 19.000 0.070 0.000 1.125 47 A HN 0.501 nan 8.150 nan 0.000 0.378 48 L N 0.779 122.123 121.223 0.202 0.000 2.457 48 L HA 0.282 4.621 4.340 -0.001 0.000 0.252 48 L C 1.259 178.199 176.870 0.117 0.000 1.132 48 L CA -0.727 54.214 54.840 0.168 0.000 0.938 48 L CB 1.075 43.269 42.059 0.225 0.000 1.246 48 L HN 0.439 nan 8.230 nan 0.000 0.476 49 E N 1.787 122.032 120.200 0.075 0.000 2.097 49 E HA -0.177 4.173 4.350 -0.001 0.000 0.196 49 E C 1.948 178.568 176.600 0.033 0.000 1.000 49 E CA 1.583 58.029 56.400 0.077 0.000 0.804 49 E CB 0.150 29.865 29.700 0.025 0.000 0.740 49 E HN 0.790 nan 8.360 nan 0.000 0.454 50 G N 0.435 109.182 108.800 -0.087 0.000 2.442 50 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.219 50 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.219 50 G C 1.804 176.620 174.900 -0.141 0.000 1.141 50 G CA 1.095 46.097 45.100 -0.163 0.000 0.763 50 G HN 0.242 nan 8.290 nan 0.000 0.554 51 V N 0.254 120.066 119.914 -0.170 0.000 2.488 51 V HA -0.153 3.966 4.120 -0.001 0.000 0.246 51 V C 2.940 178.989 176.094 -0.074 0.000 1.046 51 V CA 1.364 63.477 62.300 -0.312 0.000 1.053 51 V CB -0.609 30.816 31.823 -0.663 0.000 0.679 51 V HN 0.612 nan 8.190 nan 0.000 0.458 52 C N 0.289 119.651 119.300 0.102 0.000 2.413 52 C HA -0.257 4.202 4.460 -0.001 0.000 0.276 52 C C 2.721 177.762 174.990 0.086 0.000 1.236 52 C CA 1.610 60.735 59.018 0.177 0.000 1.735 52 C CB -1.334 26.496 27.740 0.149 0.000 2.031 52 C HN 0.661 nan 8.230 nan 0.000 0.474 53 H N -1.645 117.405 119.070 -0.034 0.000 2.353 53 H HA -0.132 4.423 4.556 -0.001 0.000 0.300 53 H C 2.163 177.455 175.328 -0.060 0.000 1.090 53 H CA 2.089 58.104 56.048 -0.054 0.000 1.327 53 H CB -0.582 29.144 29.762 -0.060 0.000 1.383 53 H HN 0.663 nan 8.280 nan 0.000 0.508 54 F N 0.975 120.835 119.950 -0.149 0.000 2.095 54 F HA -0.239 4.287 4.527 -0.001 0.000 0.298 54 F C 2.037 177.636 175.800 -0.335 0.000 1.104 54 F CA 1.497 59.306 58.000 -0.318 0.000 1.232 54 F CB -0.701 37.967 39.000 -0.552 0.000 0.987 54 F HN -0.036 nan 8.300 nan 0.000 0.475 55 F N 0.027 119.951 119.950 -0.043 0.000 2.259 55 F HA -0.029 4.497 4.527 -0.001 0.000 0.298 55 F C 2.464 178.142 175.800 -0.204 0.000 1.088 55 F CA 0.692 58.578 58.000 -0.190 0.000 1.358 55 F CB -0.349 38.678 39.000 0.045 0.000 1.040 55 F HN -0.214 nan 8.300 nan 0.000 0.505 56 R N -0.025 120.482 120.500 0.011 0.000 2.148 56 R HA -0.149 4.190 4.340 -0.001 0.000 0.227 56 R C 1.880 178.124 176.300 -0.094 0.000 1.103 56 R CA 1.135 57.201 56.100 -0.057 0.000 0.983 56 R CB -0.260 29.935 30.300 -0.175 0.000 0.874 56 R HN 0.154 nan 8.270 nan 0.000 0.451 57 E N 1.051 121.157 120.200 -0.157 0.000 2.152 57 E HA -0.078 4.271 4.350 -0.001 0.000 0.192 57 E C 1.744 178.213 176.600 -0.218 0.000 0.983 57 E CA 0.885 57.184 56.400 -0.169 0.000 0.818 57 E CB -0.040 29.550 29.700 -0.183 0.000 0.758 57 E HN 0.226 nan 8.360 nan 0.000 0.467 58 L N -0.406 120.594 121.223 -0.371 0.000 2.156 58 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 58 L C 2.379 179.144 176.870 -0.175 0.000 1.095 58 L CA 0.857 55.417 54.840 -0.467 0.000 0.770 58 L CB -0.468 40.945 42.059 -1.076 0.000 0.914 58 L HN 0.187 nan 8.230 nan 0.000 0.439 59 A N 0.064 122.868 122.820 -0.026 0.000 1.902 59 A HA -0.271 4.048 4.320 -0.001 0.000 0.217 59 A C 2.276 179.929 177.584 0.115 0.000 1.181 59 A CA 1.968 54.105 52.037 0.167 0.000 0.623 59 A CB -0.487 18.626 19.000 0.188 0.000 0.818 59 A HN 0.503 nan 8.150 nan 0.000 0.443 60 E N -0.543 119.685 120.200 0.047 0.000 2.072 60 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 60 E C 1.803 178.434 176.600 0.051 0.000 0.985 60 E CA 1.181 57.607 56.400 0.043 0.000 0.801 60 E CB -0.138 29.566 29.700 0.007 0.000 0.750 60 E HN 0.501 nan 8.360 nan 0.000 0.452 61 E N 0.759 120.970 120.200 0.020 0.000 2.077 61 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 61 E C 2.020 178.705 176.600 0.141 0.000 0.989 61 E CA 0.925 57.347 56.400 0.038 0.000 0.800 61 E CB -0.051 29.637 29.700 -0.020 0.000 0.746 61 E HN 0.162 nan 8.360 nan 0.000 0.452 62 K N 0.477 120.992 120.400 0.192 0.000 2.097 62 K HA -0.089 4.231 4.320 -0.001 0.000 0.205 62 K C 2.121 178.932 176.600 0.351 0.000 1.050 62 K CA 0.599 57.089 56.287 0.337 0.000 0.938 62 K CB -0.357 32.310 32.500 0.279 0.000 0.718 62 K HN 0.078 nan 8.250 nan 0.000 0.442 63 R N 1.518 122.153 120.500 0.225 0.000 2.081 63 R HA -0.110 4.230 4.340 -0.001 0.000 0.235 63 R C 1.806 178.201 176.300 0.157 0.000 1.131 63 R CA 1.422 57.632 56.100 0.183 0.000 0.960 63 R CB 0.067 30.444 30.300 0.128 0.000 0.856 63 R HN 0.283 nan 8.270 nan 0.000 0.436 64 E N -1.044 119.231 120.200 0.126 0.000 2.150 64 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 64 E C 1.849 178.501 176.600 0.088 0.000 0.985 64 E CA 0.981 57.430 56.400 0.082 0.000 0.814 64 E CB -0.125 29.599 29.700 0.040 0.000 0.752 64 E HN 0.545 nan 8.360 nan 0.000 0.466 65 G N 1.417 110.307 108.800 0.150 0.000 2.418 65 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.217 65 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.217 65 G C 1.714 176.659 174.900 0.075 0.000 1.158 65 G CA 0.822 46.002 45.100 0.135 0.000 0.771 65 G HN 0.339 nan 8.290 nan 0.000 0.545 66 A N 0.944 123.841 122.820 0.128 0.000 1.902 66 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 66 A C 2.161 179.819 177.584 0.123 0.000 1.181 66 A CA 1.912 54.023 52.037 0.123 0.000 0.623 66 A CB -0.386 18.745 19.000 0.218 0.000 0.818 66 A HN 0.463 nan 8.150 nan 0.000 0.443 67 E N -0.932 119.341 120.200 0.122 0.000 2.150 67 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 67 E C 2.263 178.924 176.600 0.100 0.000 0.985 67 E CA 1.000 57.463 56.400 0.104 0.000 0.814 67 E CB -0.147 29.601 29.700 0.080 0.000 0.752 67 E HN 0.616 nan 8.360 nan 0.000 0.466 68 R N 0.882 121.455 120.500 0.121 0.000 2.075 68 R HA -0.104 4.235 4.340 -0.001 0.000 0.232 68 R C 2.266 178.732 176.300 0.276 0.000 1.126 68 R CA 0.842 57.045 56.100 0.171 0.000 0.963 68 R CB -0.088 30.293 30.300 0.136 0.000 0.858 68 R HN 0.134 nan 8.270 nan 0.000 0.435 69 L N 0.462 121.841 121.223 0.261 0.000 2.093 69 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 69 L C 2.336 179.222 176.870 0.026 0.000 1.085 69 L CA 1.052 55.982 54.840 0.149 0.000 0.755 69 L CB -0.275 41.799 42.059 0.024 0.000 0.904 69 L HN 0.259 nan 8.230 nan 0.000 0.435 70 L N -0.268 120.984 121.223 0.049 0.000 2.093 70 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 70 L C 2.670 179.541 176.870 0.002 0.000 1.085 70 L CA 1.253 56.110 54.840 0.028 0.000 0.755 70 L CB -0.393 41.724 42.059 0.097 0.000 0.904 70 L HN 0.246 nan 8.230 nan 0.000 0.435 71 K N -0.014 120.395 120.400 0.015 0.000 2.057 71 K HA -0.220 4.099 4.320 -0.001 0.000 0.206 71 K C 2.281 178.835 176.600 -0.078 0.000 1.050 71 K CA 1.259 57.539 56.287 -0.011 0.000 0.935 71 K CB -0.067 32.442 32.500 0.015 0.000 0.715 71 K HN 0.115 nan 8.250 nan 0.000 0.439 72 M N 1.112 120.631 119.600 -0.135 0.000 2.086 72 M HA -0.217 4.262 4.480 -0.001 0.000 0.261 72 M C 2.167 178.296 176.300 -0.284 0.000 1.067 72 M CA 1.854 56.968 55.300 -0.310 0.000 1.116 72 M CB -0.421 31.731 32.600 -0.747 0.000 1.348 72 M HN 0.240 nan 8.290 nan 0.000 0.407 73 Q N 1.028 120.714 119.800 -0.191 0.000 2.096 73 Q HA -0.219 4.121 4.340 -0.001 0.000 0.208 73 Q C 1.552 177.454 176.000 -0.163 0.000 0.993 73 Q CA 2.551 58.273 55.803 -0.136 0.000 0.862 73 Q CB -0.354 28.348 28.738 -0.061 0.000 0.915 73 Q HN 0.524 nan 8.270 nan 0.000 0.416 74 N N -0.377 118.251 118.700 -0.121 0.000 2.188 74 N HA -0.113 4.626 4.740 -0.001 0.000 0.184 74 N C 1.567 176.990 175.510 -0.144 0.000 1.018 74 N CA 1.206 54.195 53.050 -0.102 0.000 0.858 74 N CB -0.128 38.325 38.487 -0.057 0.000 0.989 74 N HN 0.426 nan 8.380 nan 0.000 0.426 75 Q N -0.137 119.558 119.800 -0.176 0.000 2.170 75 Q HA 0.026 4.366 4.340 -0.001 0.000 0.203 75 Q C 1.264 177.090 176.000 -0.291 0.000 0.976 75 Q CA 0.836 56.521 55.803 -0.197 0.000 0.858 75 Q CB 0.170 28.800 28.738 -0.180 0.000 0.907 75 Q HN 0.175 nan 8.270 nan 0.000 0.433 76 R N -1.014 119.228 120.500 -0.430 0.000 2.297 76 R HA 0.072 4.411 4.340 -0.001 0.000 0.197 76 R C 1.097 177.130 176.300 -0.444 0.000 0.943 76 R CA 0.818 56.538 56.100 -0.633 0.000 1.038 76 R CB 0.475 29.970 30.300 -1.341 0.000 0.957 76 R HN 0.421 nan 8.270 nan 0.000 0.484 77 G N -0.010 108.632 108.800 -0.264 0.000 2.141 77 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.231 77 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.231 77 G C 0.480 175.366 174.900 -0.023 0.000 0.984 77 G CA 0.031 45.061 45.100 -0.116 0.000 0.660 77 G HN 0.593 nan 8.290 nan 0.000 0.525 78 G N -0.894 107.901 108.800 -0.007 0.000 2.580 78 G HA2 0.611 4.571 3.960 -0.001 0.000 0.278 78 G HA3 0.611 4.571 3.960 -0.001 0.000 0.278 78 G C -0.211 174.709 174.900 0.033 0.000 1.212 78 G CA -0.676 44.512 45.100 0.145 0.000 0.939 78 G HN 0.297 nan 8.290 nan 0.000 0.513 79 R N -0.271 120.241 120.500 0.019 0.000 2.439 79 R HA 0.529 4.868 4.340 -0.001 0.000 0.310 79 R C -0.021 176.235 176.300 -0.073 0.000 0.955 79 R CA -0.772 55.314 56.100 -0.023 0.000 0.853 79 R CB 1.335 31.626 30.300 -0.016 0.000 1.171 79 R HN 0.641 nan 8.270 nan 0.000 0.449 80 A N 4.520 127.269 122.820 -0.118 0.000 2.450 80 A HA 0.446 4.765 4.320 -0.001 0.000 0.255 80 A C -0.193 177.178 177.584 -0.355 0.000 1.096 80 A CA -0.021 51.845 52.037 -0.286 0.000 0.778 80 A CB 0.273 19.066 19.000 -0.346 0.000 1.031 80 A HN 0.622 nan 8.150 nan 0.000 0.494 81 L N 2.503 123.461 121.223 -0.443 0.000 2.406 81 L HA 0.481 4.821 4.340 -0.001 0.000 0.272 81 L C -1.224 175.412 176.870 -0.391 0.000 0.980 81 L CA -0.273 54.391 54.840 -0.293 0.000 0.831 81 L CB 1.674 43.656 42.059 -0.129 0.000 1.253 81 L HN 0.703 nan 8.230 nan 0.000 0.406 82 F N 1.695 121.652 119.950 0.012 0.000 2.399 82 F HA 0.504 5.030 4.527 -0.001 0.000 0.334 82 F C 0.515 176.323 175.800 0.012 0.000 1.097 82 F CA -0.484 57.524 58.000 0.013 0.000 1.076 82 F CB 1.370 40.375 39.000 0.009 0.000 1.162 82 F HN 0.385 nan 8.300 nan 0.000 0.495 83 Q N 0.867 120.787 119.800 0.199 0.000 2.495 83 Q HA 0.302 4.641 4.340 -0.001 0.000 0.283 83 Q C -1.052 175.012 176.000 0.107 0.000 1.097 83 Q CA -0.964 54.909 55.803 0.116 0.000 0.836 83 Q CB 1.444 30.227 28.738 0.075 0.000 1.426 83 Q HN 0.502 nan 8.270 nan 0.000 0.459 84 D N 0.832 121.276 120.400 0.073 0.000 2.400 84 D HA 0.122 4.762 4.640 -0.001 0.000 0.238 84 D C -0.205 176.136 176.300 0.067 0.000 1.157 84 D CA 0.369 54.404 54.000 0.058 0.000 0.889 84 D CB 0.630 41.459 40.800 0.048 0.000 1.199 84 D HN 0.203 nan 8.370 nan 0.000 0.436 85 L N 2.398 123.656 121.223 0.058 0.000 2.280 85 L HA 0.129 4.468 4.340 -0.001 0.000 0.287 85 L C 0.599 177.551 176.870 0.137 0.000 1.023 85 L CA -0.693 54.198 54.840 0.084 0.000 0.819 85 L CB 1.297 43.371 42.059 0.024 0.000 1.212 85 L HN 0.155 nan 8.230 nan 0.000 0.420 86 Q N 4.209 124.090 119.800 0.136 0.000 2.337 86 Q HA 0.067 4.406 4.340 -0.001 0.000 0.270 86 Q C -0.258 175.855 176.000 0.189 0.000 1.002 86 Q CA 0.026 55.907 55.803 0.129 0.000 0.888 86 Q CB 1.240 30.027 28.738 0.080 0.000 1.222 86 Q HN 0.533 nan 8.270 nan 0.000 0.400 87 K N 3.083 123.570 120.400 0.145 0.000 2.336 87 K HA 0.264 4.583 4.320 -0.001 0.000 0.262 87 K C -2.308 174.267 176.600 -0.043 0.000 0.992 87 K CA -1.278 55.042 56.287 0.054 0.000 0.927 87 K CB -0.406 32.102 32.500 0.014 0.000 0.956 87 K HN 0.213 nan 8.250 nan 0.000 0.495 88 P HA -0.084 nan 4.420 nan 0.000 0.268 88 P C 0.363 177.641 177.300 -0.037 0.000 1.208 88 P CA -0.057 63.018 63.100 -0.042 0.000 0.777 88 P CB 0.777 32.494 31.700 0.028 0.000 0.875 89 S N 0.383 116.085 115.700 0.003 0.000 2.447 89 S HA -0.121 4.348 4.470 -0.001 0.000 0.233 89 S C 0.503 174.947 174.600 -0.260 0.000 1.006 89 S CA 0.871 59.020 58.200 -0.085 0.000 0.957 89 S CB -0.418 62.763 63.200 -0.031 0.000 0.773 89 S HN 0.528 nan 8.310 nan 0.000 0.507 90 Q N -0.455 119.035 119.800 -0.517 0.000 2.423 90 Q HA 0.430 4.770 4.340 -0.001 0.000 0.278 90 Q C -0.686 174.825 176.000 -0.815 0.000 1.097 90 Q CA -0.727 54.563 55.803 -0.856 0.000 0.809 90 Q CB 1.937 29.791 28.738 -1.473 0.000 1.391 90 Q HN 0.046 nan 8.270 nan 0.000 0.428 91 D N 0.327 120.350 120.400 -0.628 0.000 2.338 91 D HA 0.057 4.697 4.640 -0.001 0.000 0.208 91 D C -0.430 175.577 176.300 -0.487 0.000 0.997 91 D CA 0.902 54.661 54.000 -0.402 0.000 0.880 91 D CB 0.874 41.537 40.800 -0.228 0.000 0.980 91 D HN 0.397 nan 8.370 nan 0.000 0.509 92 E N -0.587 119.179 120.200 -0.722 0.000 2.266 92 E HA 0.226 4.575 4.350 -0.001 0.000 0.268 92 E C -0.471 175.478 176.600 -1.086 0.000 0.879 92 E CA -0.572 55.393 56.400 -0.725 0.000 0.762 92 E CB 1.801 31.327 29.700 -0.289 0.000 1.199 92 E HN 0.038 nan 8.360 nan 0.000 0.422 93 W N 1.624 122.168 121.300 -1.260 0.000 2.991 93 W HA 0.294 4.954 4.660 -0.001 0.000 0.391 93 W C 1.118 177.411 176.519 -0.376 0.000 1.054 93 W CA 0.343 57.232 57.345 -0.761 0.000 1.856 93 W CB 0.783 29.833 29.460 -0.683 0.000 1.132 93 W HN 0.983 nan 8.180 nan 0.000 0.601 94 G N 1.170 109.898 108.800 -0.120 0.000 2.527 94 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.268 94 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.268 94 G C 0.350 175.414 174.900 0.273 0.000 1.175 94 G CA 0.512 45.678 45.100 0.110 0.000 0.962 94 G HN 0.272 nan 8.290 nan 0.000 0.560 95 T N -3.429 111.290 114.554 0.275 0.000 2.910 95 T HA 0.635 4.985 4.350 -0.001 0.000 0.279 95 T C 1.575 176.549 174.700 0.457 0.000 0.989 95 T CA 0.885 63.194 62.100 0.348 0.000 0.968 95 T CB 1.172 70.169 68.868 0.216 0.000 1.135 95 T HN 1.010 nan 8.240 nan 0.000 0.562 96 T N 2.320 117.123 114.554 0.416 0.000 2.653 96 T HA -0.053 4.296 4.350 -0.001 0.000 0.268 96 T C -0.789 174.004 174.700 0.154 0.000 1.035 96 T CA 1.805 64.061 62.100 0.260 0.000 1.154 96 T CB -1.482 67.431 68.868 0.075 0.000 0.862 96 T HN 0.600 nan 8.240 nan 0.000 0.441 97 P HA -0.039 nan 4.420 nan 0.000 0.217 97 P C 1.026 178.392 177.300 0.111 0.000 1.150 97 P CA 1.124 64.249 63.100 0.041 0.000 0.832 97 P CB -0.114 31.593 31.700 0.010 0.000 0.787 98 D N 0.029 120.524 120.400 0.159 0.000 2.097 98 D HA -0.123 4.516 4.640 -0.001 0.000 0.195 98 D C 2.083 178.522 176.300 0.232 0.000 0.989 98 D CA 1.682 55.785 54.000 0.172 0.000 0.827 98 D CB -0.756 40.147 40.800 0.171 0.000 0.966 98 D HN 0.083 nan 8.370 nan 0.000 0.456 99 A N 0.801 123.818 122.820 0.329 0.000 1.902 99 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 99 A C 2.172 179.951 177.584 0.324 0.000 1.181 99 A CA 1.680 53.929 52.037 0.354 0.000 0.623 99 A CB -0.512 18.859 19.000 0.619 0.000 0.818 99 A HN 0.130 nan 8.150 nan 0.000 0.443 100 M N -0.291 119.497 119.600 0.313 0.000 2.175 100 M HA -0.062 4.418 4.480 -0.001 0.000 0.264 100 M C 1.817 178.243 176.300 0.210 0.000 1.063 100 M CA 1.673 57.142 55.300 0.282 0.000 1.119 100 M CB -0.380 32.292 32.600 0.121 0.000 1.377 100 M HN 0.379 nan 8.290 nan 0.000 0.415 101 K N -0.765 119.729 120.400 0.157 0.000 2.025 101 K HA -0.053 4.266 4.320 -0.001 0.000 0.207 101 K C 1.969 178.646 176.600 0.128 0.000 1.049 101 K CA 1.398 57.757 56.287 0.120 0.000 0.933 101 K CB -0.384 32.174 32.500 0.096 0.000 0.714 101 K HN 0.412 nan 8.250 nan 0.000 0.438 102 A N 1.356 124.264 122.820 0.146 0.000 1.908 102 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 102 A C 2.333 179.972 177.584 0.092 0.000 1.181 102 A CA 2.005 54.118 52.037 0.128 0.000 0.627 102 A CB -0.761 18.352 19.000 0.188 0.000 0.818 102 A HN 0.364 nan 8.150 nan 0.000 0.445 103 A N -0.054 122.856 122.820 0.151 0.000 1.933 103 A HA -0.056 4.263 4.320 -0.001 0.000 0.218 103 A C 2.091 179.806 177.584 0.218 0.000 1.175 103 A CA 1.471 53.657 52.037 0.248 0.000 0.628 103 A CB -0.531 18.808 19.000 0.564 0.000 0.814 103 A HN 0.493 nan 8.150 nan 0.000 0.444 104 I N -0.297 120.384 120.570 0.185 0.000 2.252 104 I HA -0.188 3.981 4.170 -0.001 0.000 0.245 104 I C 2.356 178.529 176.117 0.094 0.000 1.102 104 I CA 1.147 62.529 61.300 0.137 0.000 1.385 104 I CB -0.688 37.378 38.000 0.111 0.000 1.064 104 I HN 0.140 nan 8.210 nan 0.000 0.414 105 V N 1.072 121.034 119.914 0.080 0.000 2.343 105 V HA -0.274 3.845 4.120 -0.001 0.000 0.247 105 V C 2.495 178.611 176.094 0.037 0.000 1.051 105 V CA 1.592 63.925 62.300 0.054 0.000 1.036 105 V CB -0.618 31.236 31.823 0.051 0.000 0.654 105 V HN 0.340 nan 8.190 nan 0.000 0.451 106 L N 0.313 121.553 121.223 0.027 0.000 2.012 106 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 106 L C 2.486 179.358 176.870 0.004 0.000 1.073 106 L CA 1.987 56.815 54.840 -0.019 0.000 0.748 106 L CB -0.950 41.045 42.059 -0.107 0.000 0.891 106 L HN 0.282 nan 8.230 nan 0.000 0.431 107 E N 0.112 120.349 120.200 0.061 0.000 2.110 107 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 107 E C 2.207 178.836 176.600 0.047 0.000 0.988 107 E CA 1.216 57.657 56.400 0.069 0.000 0.804 107 E CB -0.217 29.552 29.700 0.115 0.000 0.745 107 E HN 0.573 nan 8.360 nan 0.000 0.458 108 K N 0.790 121.218 120.400 0.048 0.000 2.147 108 K HA -0.088 4.232 4.320 -0.001 0.000 0.205 108 K C 2.344 178.962 176.600 0.030 0.000 1.049 108 K CA 1.361 57.671 56.287 0.040 0.000 0.936 108 K CB -0.094 32.428 32.500 0.038 0.000 0.722 108 K HN 0.090 nan 8.250 nan 0.000 0.446 109 S N 0.983 116.695 115.700 0.020 0.000 2.387 109 S HA -0.071 4.398 4.470 -0.001 0.000 0.226 109 S C 2.002 176.608 174.600 0.010 0.000 1.026 109 S CA 0.659 58.866 58.200 0.012 0.000 0.972 109 S CB -0.394 62.808 63.200 0.003 0.000 0.814 109 S HN 0.180 nan 8.310 nan 0.000 0.477 110 L N 1.463 122.682 121.223 -0.007 0.000 2.027 110 L HA -0.064 4.275 4.340 -0.001 0.000 0.206 110 L C 2.890 179.794 176.870 0.057 0.000 1.074 110 L CA 1.576 56.406 54.840 -0.016 0.000 0.745 110 L CB -0.842 41.147 42.059 -0.117 0.000 0.898 110 L HN 0.362 nan 8.230 nan 0.000 0.433 111 N N 0.024 118.760 118.700 0.060 0.000 2.104 111 N HA -0.263 4.476 4.740 -0.001 0.000 0.190 111 N C 1.852 177.399 175.510 0.061 0.000 1.024 111 N CA 1.386 54.480 53.050 0.075 0.000 0.853 111 N CB -0.039 38.485 38.487 0.061 0.000 1.008 111 N HN 0.154 nan 8.380 nan 0.000 0.424 112 Q N 0.080 119.908 119.800 0.047 0.000 2.124 112 Q HA 0.101 4.440 4.340 -0.001 0.000 0.202 112 Q C 1.830 177.859 176.000 0.048 0.000 0.977 112 Q CA 1.825 57.653 55.803 0.041 0.000 0.850 112 Q CB -0.679 28.078 28.738 0.032 0.000 0.901 112 Q HN 0.419 nan 8.270 nan 0.000 0.429 113 A N -0.152 122.700 122.820 0.053 0.000 1.933 113 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 113 A C 2.082 179.707 177.584 0.068 0.000 1.175 113 A CA 1.273 53.345 52.037 0.059 0.000 0.628 113 A CB -0.658 18.382 19.000 0.067 0.000 0.814 113 A HN 0.441 nan 8.150 nan 0.000 0.444 114 L N -0.711 120.562 121.223 0.083 0.000 2.056 114 L HA -0.151 4.188 4.340 -0.001 0.000 0.207 114 L C 2.534 179.461 176.870 0.094 0.000 1.078 114 L CA 0.965 55.853 54.840 0.080 0.000 0.749 114 L CB -0.491 41.630 42.059 0.104 0.000 0.901 114 L HN 0.368 nan 8.230 nan 0.000 0.433 115 L N -0.527 120.742 121.223 0.077 0.000 2.046 115 L HA -0.233 4.106 4.340 -0.001 0.000 0.208 115 L C 2.226 179.154 176.870 0.097 0.000 1.077 115 L CA 1.086 55.969 54.840 0.072 0.000 0.747 115 L CB -0.649 41.433 42.059 0.038 0.000 0.896 115 L HN 0.292 nan 8.230 nan 0.000 0.432 116 D N -0.024 120.420 120.400 0.072 0.000 2.117 116 D HA -0.173 4.467 4.640 -0.001 0.000 0.197 116 D C 2.060 178.398 176.300 0.064 0.000 0.987 116 D CA 1.007 55.043 54.000 0.061 0.000 0.829 116 D CB -0.142 40.682 40.800 0.041 0.000 0.961 116 D HN 0.134 nan 8.370 nan 0.000 0.460 117 L N 0.534 121.797 121.223 0.068 0.000 2.093 117 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 117 L C 2.161 179.074 176.870 0.071 0.000 1.085 117 L CA 1.725 56.596 54.840 0.052 0.000 0.755 117 L CB -0.639 41.445 42.059 0.041 0.000 0.904 117 L HN 0.142 nan 8.230 nan 0.000 0.435 118 H N -0.294 118.794 119.070 0.030 0.000 2.353 118 H HA -0.091 4.464 4.556 -0.001 0.000 0.300 118 H C 1.942 177.288 175.328 0.030 0.000 1.090 118 H CA 1.529 57.600 56.048 0.038 0.000 1.327 118 H CB 0.190 29.976 29.762 0.041 0.000 1.383 118 H HN 0.451 nan 8.280 nan 0.000 0.508 119 A N 1.283 124.208 122.820 0.174 0.000 1.908 119 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 119 A C 2.568 180.163 177.584 0.019 0.000 1.181 119 A CA 1.484 53.586 52.037 0.108 0.000 0.627 119 A CB -0.870 18.185 19.000 0.091 0.000 0.818 119 A HN 0.426 nan 8.150 nan 0.000 0.445 120 L N 0.126 121.353 121.223 0.006 0.000 2.017 120 L HA -0.026 4.314 4.340 -0.001 0.000 0.208 120 L C 2.402 179.243 176.870 -0.049 0.000 1.073 120 L CA 2.418 57.245 54.840 -0.021 0.000 0.745 120 L CB -1.134 40.912 42.059 -0.021 0.000 0.894 120 L HN 0.294 nan 8.230 nan 0.000 0.432 121 G N -1.688 107.066 108.800 -0.076 0.000 2.418 121 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.217 121 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.217 121 G C 1.586 176.420 174.900 -0.111 0.000 1.158 121 G CA 0.901 45.943 45.100 -0.096 0.000 0.771 121 G HN 0.481 nan 8.290 nan 0.000 0.545 122 S N 1.002 116.611 115.700 -0.152 0.000 2.356 122 S HA -0.017 4.453 4.470 -0.001 0.000 0.223 122 S C 2.801 177.378 174.600 -0.037 0.000 1.032 122 S CA 1.215 59.358 58.200 -0.095 0.000 1.005 122 S CB -0.403 62.767 63.200 -0.051 0.000 0.867 122 S HN 0.581 nan 8.310 nan 0.000 0.449 123 A N 1.116 123.920 122.820 -0.027 0.000 1.933 123 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 123 A C 2.008 179.580 177.584 -0.020 0.000 1.175 123 A CA 1.103 53.131 52.037 -0.015 0.000 0.628 123 A CB -0.365 18.629 19.000 -0.011 0.000 0.814 123 A HN 0.366 nan 8.150 nan 0.000 0.444 124 Q N -1.578 118.204 119.800 -0.030 0.000 2.451 124 Q HA 0.290 4.629 4.340 -0.001 0.000 0.206 124 Q C 0.743 176.733 176.000 -0.017 0.000 0.947 124 Q CA 0.738 56.524 55.803 -0.029 0.000 0.937 124 Q CB -0.194 28.518 28.738 -0.044 0.000 1.025 124 Q HN 1.027 nan 8.270 nan 0.000 0.511 125 A N 2.176 124.987 122.820 -0.016 0.000 2.734 125 A HA -0.162 4.157 4.320 -0.001 0.000 0.296 125 A C -0.312 177.278 177.584 0.010 0.000 1.474 125 A CA 0.840 52.875 52.037 -0.004 0.000 0.735 125 A CB -1.821 17.181 19.000 0.003 0.000 1.062 125 A HN 0.239 nan 8.150 nan 0.000 0.463 126 D N 0.077 120.481 120.400 0.007 0.000 2.458 126 D HA 0.411 5.050 4.640 -0.001 0.000 0.258 126 D C -0.857 175.473 176.300 0.049 0.000 1.134 126 D CA -1.448 52.580 54.000 0.048 0.000 0.915 126 D CB 0.953 41.792 40.800 0.064 0.000 1.028 126 D HN 0.259 nan 8.370 nan 0.000 0.508 127 P HA -0.142 nan 4.420 nan 0.000 0.221 127 P C 1.363 178.719 177.300 0.094 0.000 1.150 127 P CA 0.679 63.815 63.100 0.059 0.000 0.800 127 P CB 0.329 32.065 31.700 0.060 0.000 0.787 128 H N 0.444 119.546 119.070 0.054 0.000 2.357 128 H HA -0.080 4.475 4.556 -0.001 0.000 0.301 128 H C 1.937 177.340 175.328 0.124 0.000 1.082 128 H CA 1.123 57.216 56.048 0.075 0.000 1.342 128 H CB -0.454 29.328 29.762 0.033 0.000 1.389 128 H HN -0.043 nan 8.280 nan 0.000 0.511 129 L N 0.736 122.065 121.223 0.177 0.000 2.017 129 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 129 L C 2.789 179.745 176.870 0.144 0.000 1.073 129 L CA 1.710 56.651 54.840 0.169 0.000 0.745 129 L CB -0.999 41.152 42.059 0.153 0.000 0.894 129 L HN 0.314 nan 8.230 nan 0.000 0.432 130 C N -0.252 119.074 119.300 0.043 0.000 2.413 130 C HA -0.167 4.292 4.460 -0.001 0.000 0.276 130 C C 2.489 177.565 174.990 0.144 0.000 1.248 130 C CA 1.070 60.099 59.018 0.019 0.000 1.742 130 C CB -1.183 26.473 27.740 -0.139 0.000 2.017 130 C HN 0.726 nan 8.230 nan 0.000 0.481 131 D N -0.276 120.171 120.400 0.078 0.000 2.117 131 D HA -0.167 4.472 4.640 -0.001 0.000 0.198 131 D C 1.870 178.208 176.300 0.063 0.000 0.982 131 D CA 1.011 55.038 54.000 0.045 0.000 0.828 131 D CB -0.356 40.437 40.800 -0.012 0.000 0.967 131 D HN 0.490 nan 8.370 nan 0.000 0.464 132 F N 0.662 120.576 119.950 -0.060 0.000 2.126 132 F HA -0.126 4.400 4.527 -0.001 0.000 0.299 132 F C 1.868 177.828 175.800 0.267 0.000 1.096 132 F CA 1.336 59.389 58.000 0.089 0.000 1.255 132 F CB -0.135 38.876 39.000 0.018 0.000 0.997 132 F HN 0.001 nan 8.300 nan 0.000 0.479 133 L N -0.027 121.337 121.223 0.235 0.000 2.056 133 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 133 L C 2.392 179.348 176.870 0.143 0.000 1.078 133 L CA 1.617 56.586 54.840 0.214 0.000 0.749 133 L CB -0.767 41.441 42.059 0.249 0.000 0.901 133 L HN 0.179 nan 8.230 nan 0.000 0.433 134 E N -0.321 119.936 120.200 0.095 0.000 2.072 134 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 134 E C 2.294 178.839 176.600 -0.091 0.000 0.985 134 E CA 1.451 57.861 56.400 0.017 0.000 0.801 134 E CB -0.016 29.702 29.700 0.029 0.000 0.750 134 E HN 0.309 nan 8.360 nan 0.000 0.452 135 S N -0.338 115.243 115.700 -0.198 0.000 2.428 135 S HA -0.061 4.408 4.470 -0.001 0.000 0.230 135 S C 1.340 175.522 174.600 -0.697 0.000 1.014 135 S CA 0.701 58.632 58.200 -0.448 0.000 0.957 135 S CB -0.018 62.843 63.200 -0.564 0.000 0.784 135 S HN 0.356 nan 8.310 nan 0.000 0.499 136 H N -2.051 116.838 119.070 -0.302 0.000 3.046 136 H HA 0.323 4.878 4.556 -0.001 0.000 0.262 136 H C 0.526 175.424 175.328 -0.718 0.000 1.044 136 H CA 0.189 55.907 56.048 -0.549 0.000 1.209 136 H CB 0.389 29.642 29.762 -0.848 0.000 1.507 136 H HN 0.395 nan 8.280 nan 0.000 0.507 137 F N -0.199 119.692 119.950 -0.099 0.000 2.496 137 F HA 0.154 4.681 4.527 -0.001 0.000 0.274 137 F C 2.214 178.016 175.800 0.003 0.000 0.924 137 F CA -0.055 57.932 58.000 -0.023 0.000 1.147 137 F CB -0.055 38.941 39.000 -0.008 0.000 0.969 137 F HN -0.138 nan 8.300 nan 0.000 0.749 138 L N 0.362 121.687 121.223 0.169 0.000 2.012 138 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 138 L C 1.997 178.889 176.870 0.038 0.000 1.073 138 L CA 2.083 56.975 54.840 0.086 0.000 0.748 138 L CB -0.578 41.501 42.059 0.033 0.000 0.891 138 L HN 0.170 nan 8.230 nan 0.000 0.431 139 D N -0.196 120.203 120.400 -0.002 0.000 2.149 139 D HA -0.214 4.425 4.640 -0.001 0.000 0.201 139 D C 2.104 178.397 176.300 -0.012 0.000 0.972 139 D CA 0.985 54.973 54.000 -0.020 0.000 0.835 139 D CB 0.158 40.930 40.800 -0.046 0.000 0.966 139 D HN 0.285 nan 8.370 nan 0.000 0.476 140 E N -0.109 120.082 120.200 -0.015 0.000 2.085 140 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 140 E C 1.718 178.335 176.600 0.028 0.000 0.994 140 E CA 1.005 57.398 56.400 -0.011 0.000 0.801 140 E CB 0.084 29.761 29.700 -0.037 0.000 0.743 140 E HN 0.120 nan 8.360 nan 0.000 0.453 141 E N 0.257 120.498 120.200 0.070 0.000 2.051 141 E HA -0.130 4.220 4.350 -0.001 0.000 0.192 141 E C 2.241 178.869 176.600 0.048 0.000 0.991 141 E CA 0.833 57.283 56.400 0.082 0.000 0.799 141 E CB -0.400 29.369 29.700 0.115 0.000 0.748 141 E HN 0.174 nan 8.360 nan 0.000 0.449 142 V N 1.514 121.447 119.914 0.032 0.000 2.287 142 V HA -0.277 3.843 4.120 -0.001 0.000 0.248 142 V C 2.303 178.401 176.094 0.006 0.000 1.053 142 V CA 1.901 64.211 62.300 0.016 0.000 1.027 142 V CB -0.322 31.504 31.823 0.004 0.000 0.646 142 V HN 0.247 nan 8.190 nan 0.000 0.447 143 K N -0.665 119.734 120.400 -0.001 0.000 2.097 143 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 143 K C 2.071 178.664 176.600 -0.011 0.000 1.049 143 K CA 1.400 57.679 56.287 -0.012 0.000 0.933 143 K CB -0.330 32.158 32.500 -0.020 0.000 0.717 143 K HN 0.296 nan 8.250 nan 0.000 0.442 144 L N 1.428 122.652 121.223 0.002 0.000 2.056 144 L HA -0.091 4.248 4.340 -0.001 0.000 0.207 144 L C 1.893 178.778 176.870 0.025 0.000 1.078 144 L CA 1.464 56.309 54.840 0.009 0.000 0.749 144 L CB -0.201 41.867 42.059 0.015 0.000 0.901 144 L HN 0.101 nan 8.230 nan 0.000 0.433 145 I N -0.365 120.224 120.570 0.033 0.000 2.286 145 I HA -0.277 3.892 4.170 -0.001 0.000 0.248 145 I C 2.445 178.571 176.117 0.016 0.000 1.115 145 I CA 1.306 62.630 61.300 0.040 0.000 1.392 145 I CB -0.335 37.690 38.000 0.041 0.000 1.065 145 I HN 0.271 nan 8.210 nan 0.000 0.418 146 K N 1.750 122.148 120.400 -0.003 0.000 2.057 146 K HA -0.209 4.110 4.320 -0.001 0.000 0.207 146 K C 2.060 178.625 176.600 -0.058 0.000 1.049 146 K CA 1.648 57.922 56.287 -0.022 0.000 0.931 146 K CB -0.277 32.209 32.500 -0.023 0.000 0.714 146 K HN 0.071 nan 8.250 nan 0.000 0.440 147 K N -0.020 120.331 120.400 -0.082 0.000 2.032 147 K HA -0.133 4.187 4.320 -0.001 0.000 0.209 147 K C 2.111 178.534 176.600 -0.295 0.000 1.048 147 K CA 1.895 58.062 56.287 -0.199 0.000 0.927 147 K CB -0.145 32.266 32.500 -0.149 0.000 0.712 147 K HN 0.226 nan 8.250 nan 0.000 0.441 148 M N -0.283 119.268 119.600 -0.081 0.000 2.159 148 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 148 M C 2.221 178.532 176.300 0.018 0.000 1.063 148 M CA 1.662 56.979 55.300 0.029 0.000 1.110 148 M CB -0.378 32.308 32.600 0.143 0.000 1.374 148 M HN 0.356 nan 8.290 nan 0.000 0.411 149 G N 0.193 108.991 108.800 -0.004 0.000 2.421 149 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.216 149 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.216 149 G C 0.994 175.890 174.900 -0.006 0.000 1.171 149 G CA 1.100 46.202 45.100 0.004 0.000 0.775 149 G HN 0.329 nan 8.290 nan 0.000 0.543 150 D N 0.105 120.479 120.400 -0.043 0.000 2.104 150 D HA -0.091 4.548 4.640 -0.001 0.000 0.194 150 D C 2.266 178.611 176.300 0.074 0.000 0.994 150 D CA 0.926 54.915 54.000 -0.019 0.000 0.830 150 D CB -0.382 40.374 40.800 -0.072 0.000 0.959 150 D HN 0.257 nan 8.370 nan 0.000 0.452 151 H N -0.064 119.021 119.070 0.026 0.000 2.319 151 H HA -0.077 4.479 4.556 -0.001 0.000 0.299 151 H C 2.107 177.332 175.328 -0.171 0.000 1.092 151 H CA 0.511 56.571 56.048 0.021 0.000 1.302 151 H CB -0.708 29.061 29.762 0.012 0.000 1.373 151 H HN 0.074 nan 8.280 nan 0.000 0.497 152 L N 0.509 121.744 121.223 0.021 0.000 2.043 152 L HA -0.174 4.166 4.340 -0.001 0.000 0.212 152 L C 2.326 179.148 176.870 -0.080 0.000 1.075 152 L CA 1.860 56.665 54.840 -0.059 0.000 0.752 152 L CB -1.185 40.872 42.059 -0.003 0.000 0.891 152 L HN 0.246 nan 8.230 nan 0.000 0.432 153 T N -0.376 114.159 114.554 -0.031 0.000 2.708 153 T HA -0.150 4.199 4.350 -0.001 0.000 0.266 153 T C 1.767 176.440 174.700 -0.044 0.000 1.037 153 T CA 1.482 63.567 62.100 -0.026 0.000 1.146 153 T CB -0.205 68.663 68.868 -0.000 0.000 0.865 153 T HN 0.380 nan 8.240 nan 0.000 0.435 154 N N 0.827 119.506 118.700 -0.034 0.000 2.142 154 N HA 0.027 4.766 4.740 -0.001 0.000 0.186 154 N C 1.944 177.338 175.510 -0.193 0.000 1.023 154 N CA 0.968 54.001 53.050 -0.028 0.000 0.852 154 N CB -0.220 38.361 38.487 0.156 0.000 0.998 154 N HN 0.381 nan 8.380 nan 0.000 0.424 155 I N 1.716 122.006 120.570 -0.467 0.000 2.226 155 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 155 I C 2.369 178.343 176.117 -0.238 0.000 1.100 155 I CA 1.060 62.022 61.300 -0.563 0.000 1.374 155 I CB -0.210 37.364 38.000 -0.711 0.000 1.057 155 I HN 0.108 nan 8.210 nan 0.000 0.413 156 Q N 0.379 120.083 119.800 -0.161 0.000 2.119 156 Q HA -0.222 4.118 4.340 -0.001 0.000 0.201 156 Q C 2.321 178.289 176.000 -0.053 0.000 0.972 156 Q CA 1.286 57.040 55.803 -0.082 0.000 0.847 156 Q CB -0.306 28.399 28.738 -0.055 0.000 0.903 156 Q HN 0.510 nan 8.270 nan 0.000 0.433 157 R N 0.847 121.318 120.500 -0.049 0.000 2.148 157 R HA -0.104 4.235 4.340 -0.001 0.000 0.227 157 R C 1.832 178.123 176.300 -0.014 0.000 1.103 157 R CA 0.936 57.023 56.100 -0.022 0.000 0.983 157 R CB -0.128 30.166 30.300 -0.009 0.000 0.874 157 R HN 0.233 nan 8.270 nan 0.000 0.451 158 L N 1.062 122.269 121.223 -0.027 0.000 2.102 158 L HA -0.042 4.297 4.340 -0.001 0.000 0.202 158 L C 2.467 179.337 176.870 -0.001 0.000 1.076 158 L CA 0.785 55.623 54.840 -0.004 0.000 0.761 158 L CB -0.160 41.903 42.059 0.006 0.000 0.921 158 L HN 0.149 nan 8.230 nan 0.000 0.444 159 V N -3.086 116.816 119.914 -0.020 0.000 3.305 159 V HA 0.074 4.194 4.120 -0.001 0.000 0.269 159 V C 1.982 178.077 176.094 0.002 0.000 1.157 159 V CA 1.334 63.632 62.300 -0.003 0.000 1.157 159 V CB -1.033 30.785 31.823 -0.009 0.000 0.772 159 V HN 0.354 nan 8.190 nan 0.000 0.498 160 G N 0.366 109.164 108.800 -0.003 0.000 2.408 160 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.215 160 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.215 160 G C 1.527 176.431 174.900 0.007 0.000 1.156 160 G CA 0.952 46.053 45.100 0.001 0.000 0.793 160 G HN 0.544 nan 8.290 nan 0.000 0.535 161 S N -0.071 115.634 115.700 0.009 0.000 2.355 161 S HA 0.046 4.515 4.470 -0.001 0.000 0.210 161 S C 0.903 175.513 174.600 0.016 0.000 1.035 161 S CA 0.797 59.004 58.200 0.013 0.000 1.011 161 S CB -0.117 63.093 63.200 0.016 0.000 1.000 161 S HN 0.387 nan 8.310 nan 0.000 0.423 162 Q N -1.015 118.798 119.800 0.022 0.000 2.294 162 Q HA 0.614 4.953 4.340 -0.001 0.000 0.264 162 Q C 0.299 176.319 176.000 0.033 0.000 0.992 162 Q CA -0.146 55.672 55.803 0.025 0.000 0.747 162 Q CB 1.670 30.423 28.738 0.025 0.000 1.262 162 Q HN 0.357 nan 8.270 nan 0.000 0.452 163 A N 2.595 125.434 122.820 0.031 0.000 1.859 163 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 163 A C 1.737 179.356 177.584 0.058 0.000 1.209 163 A CA 2.464 54.525 52.037 0.040 0.000 0.639 163 A CB -1.271 17.752 19.000 0.038 0.000 0.835 163 A HN 0.892 nan 8.150 nan 0.000 0.450 164 G N -0.754 108.079 108.800 0.054 0.000 2.459 164 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.217 164 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.217 164 G C 1.541 176.493 174.900 0.087 0.000 1.183 164 G CA 1.282 46.421 45.100 0.065 0.000 0.776 164 G HN 0.547 nan 8.290 nan 0.000 0.552 165 L N 1.493 122.757 121.223 0.068 0.000 2.046 165 L HA 0.112 4.451 4.340 -0.001 0.000 0.208 165 L C 2.835 179.788 176.870 0.139 0.000 1.077 165 L CA 2.359 57.255 54.840 0.093 0.000 0.747 165 L CB -0.866 41.227 42.059 0.057 0.000 0.896 165 L HN 0.185 nan 8.230 nan 0.000 0.432 166 G N -1.485 107.374 108.800 0.099 0.000 2.418 166 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 166 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 166 G C 1.500 176.471 174.900 0.118 0.000 1.158 166 G CA 0.711 45.864 45.100 0.090 0.000 0.771 166 G HN 0.487 nan 8.290 nan 0.000 0.545 167 E N -0.777 119.497 120.200 0.123 0.000 2.077 167 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 167 E C 2.019 178.730 176.600 0.184 0.000 0.989 167 E CA 0.858 57.345 56.400 0.145 0.000 0.800 167 E CB -0.224 29.565 29.700 0.148 0.000 0.746 167 E HN 0.614 nan 8.360 nan 0.000 0.452 168 Y N 1.147 121.487 120.300 0.065 0.000 2.145 168 Y HA -0.216 4.333 4.550 -0.001 0.000 0.286 168 Y C 2.048 177.965 175.900 0.028 0.000 1.145 168 Y CA 1.385 59.510 58.100 0.042 0.000 1.148 168 Y CB -0.128 38.350 38.460 0.029 0.000 0.981 168 Y HN -0.041 nan 8.280 nan 0.000 0.507 169 L N -1.062 120.213 121.223 0.088 0.000 2.042 169 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 169 L C 2.344 179.170 176.870 -0.074 0.000 1.076 169 L CA 1.592 56.416 54.840 -0.026 0.000 0.749 169 L CB -0.730 41.376 42.059 0.078 0.000 0.893 169 L HN 0.310 nan 8.230 nan 0.000 0.432 170 F N 0.881 120.751 119.950 -0.133 0.000 2.102 170 F HA -0.249 4.277 4.527 -0.001 0.000 0.298 170 F C 2.687 178.341 175.800 -0.244 0.000 1.105 170 F CA 1.852 59.747 58.000 -0.175 0.000 1.239 170 F CB -0.214 38.688 39.000 -0.162 0.000 0.991 170 F HN 0.077 nan 8.300 nan 0.000 0.474 171 E N 0.298 120.370 120.200 -0.213 0.000 2.110 171 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 171 E C 2.304 178.663 176.600 -0.401 0.000 0.988 171 E CA 0.940 57.145 56.400 -0.325 0.000 0.804 171 E CB -0.063 29.534 29.700 -0.173 0.000 0.745 171 E HN 0.316 nan 8.360 nan 0.000 0.458 172 R N -0.071 120.164 120.500 -0.442 0.000 2.073 172 R HA 0.025 4.364 4.340 -0.001 0.000 0.229 172 R C 2.496 178.600 176.300 -0.327 0.000 1.120 172 R CA 0.699 56.545 56.100 -0.424 0.000 0.967 172 R CB -0.365 29.597 30.300 -0.564 0.000 0.862 172 R HN 0.285 nan 8.270 nan 0.000 0.436 173 L N -0.819 120.213 121.223 -0.319 0.000 2.463 173 L HA 0.100 4.440 4.340 -0.001 0.000 0.219 173 L C 1.704 178.389 176.870 -0.308 0.000 1.088 173 L CA 0.602 55.289 54.840 -0.255 0.000 0.849 173 L CB 0.094 42.053 42.059 -0.168 0.000 1.012 173 L HN 0.064 nan 8.230 nan 0.000 0.468 174 T N -0.369 113.879 114.554 -0.510 0.000 3.071 174 T HA 0.274 4.623 4.350 -0.001 0.000 0.239 174 T C 0.892 175.240 174.700 -0.586 0.000 0.997 174 T CA 0.176 61.915 62.100 -0.602 0.000 1.134 174 T CB 0.320 68.574 68.868 -1.022 0.000 0.928 174 T HN -0.083 nan 8.240 nan 0.000 0.453 175 L N 0.000 120.796 121.223 -0.712 0.000 2.949 175 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 175 L CA 0.000 54.534 54.840 -0.510 0.000 0.813 175 L CB 0.000 41.717 42.059 -0.570 0.000 0.961 175 L HN 0.000 nan 8.230 nan 0.000 0.502