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 2psg_1_A DATA FIRST_RESID 1 DATA SEQUENCE IGDEPLENYL DTEYFGTIGI GTPAQDFTVI FDTGSSNLWV PSVYcSSLAc DATA SEQUENCE SDHNQFNPDD SSTFEATXQE LSITYGTGSM TGILGYDTVQ VGGISDTNQI DATA SEQUENCE FGLSETEPGS FLYYAPFDGI LGLAYPSISA SGATPVFDNL WDQGLVSQDL DATA SEQUENCE FSVYLSSNDD SGSVVLLGGI DSSYYTGSLN WVPVSVEGYW QITLDSITMD DATA SEQUENCE GETIAcSGGc QAIVDTGTSL LTGPTSAIAN IQSDIGASEN SDGEMVIScS DATA SEQUENCE SIDSLPDIVF TIDGVQYPLS PSAYILQDDD ScTSGFEGMD VPTSSGELWI DATA SEQUENCE LGDVFIRQYY TVFDRANNKV GLAPVA 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 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.103 176.117 -0.024 0.000 1.063 1 I CA 0.000 61.290 61.300 -0.017 0.000 1.566 1 I CB 0.000 37.989 38.000 -0.018 0.000 1.214 2 G N 5.484 114.269 108.800 -0.025 0.000 3.717 2 G HA2 0.260 4.207 3.960 -0.020 0.000 0.258 2 G HA3 0.260 4.207 3.960 -0.020 0.000 0.258 2 G C 0.425 175.300 174.900 -0.043 0.000 1.088 2 G CA 0.268 45.352 45.100 -0.028 0.000 1.737 2 G HN 0.748 nan 8.290 nan 0.000 0.648 3 D N -0.801 119.561 120.400 -0.063 0.000 2.369 3 D HA 0.006 4.633 4.640 -0.020 0.000 0.211 3 D C 0.100 176.327 176.300 -0.122 0.000 1.077 3 D CA 0.122 54.077 54.000 -0.075 0.000 0.842 3 D CB 0.650 41.412 40.800 -0.063 0.000 0.947 3 D HN 0.155 nan 8.370 nan 0.000 0.509 4 E N 1.333 121.435 120.200 -0.164 0.000 2.795 4 E HA 0.201 4.539 4.350 -0.020 0.000 0.226 4 E C -1.972 174.575 176.600 -0.087 0.000 1.088 4 E CA -1.846 54.390 56.400 -0.274 0.000 0.812 4 E CB 1.968 31.227 29.700 -0.734 0.000 1.328 4 E HN 0.048 nan 8.360 nan 0.000 0.410 5 P HA -0.112 nan 4.420 nan 0.000 0.222 5 P C 0.887 178.363 177.300 0.292 0.000 1.142 5 P CA 0.937 64.106 63.100 0.115 0.000 0.788 5 P CB 0.331 32.067 31.700 0.060 0.000 0.767 6 L N -1.015 120.395 121.223 0.312 0.000 2.818 6 L HA 0.206 4.534 4.340 -0.020 0.000 0.243 6 L C 2.161 179.373 176.870 0.569 0.000 1.185 6 L CA -0.023 55.139 54.840 0.537 0.000 0.988 6 L CB -0.417 41.997 42.059 0.590 0.000 1.292 6 L HN -0.032 nan 8.230 nan 0.000 0.519 7 E N 1.091 121.517 120.200 0.377 0.000 2.118 7 E HA -0.232 4.106 4.350 -0.020 0.000 0.195 7 E C 1.236 177.995 176.600 0.265 0.000 0.992 7 E CA 1.149 57.788 56.400 0.400 0.000 0.804 7 E CB 0.253 30.059 29.700 0.177 0.000 0.741 7 E HN 0.469 nan 8.360 nan 0.000 0.458 8 N N -0.286 118.478 118.700 0.107 0.000 2.609 8 N HA -0.108 4.620 4.740 -0.020 0.000 0.190 8 N C -0.096 175.146 175.510 -0.447 0.000 1.157 8 N CA 0.674 53.622 53.050 -0.170 0.000 0.918 8 N CB 0.055 38.397 38.487 -0.242 0.000 0.978 8 N HN 0.338 nan 8.380 nan 0.000 0.448 9 Y N -0.537 119.855 120.300 0.154 0.000 2.607 9 Y HA 0.311 4.845 4.550 -0.027 0.000 0.266 9 Y C 1.670 177.699 175.900 0.214 0.000 1.178 9 Y CA -0.299 57.880 58.100 0.132 0.000 1.226 9 Y CB 0.051 38.554 38.460 0.072 0.000 1.144 9 Y HN -0.060 nan 8.280 nan 0.000 0.528 10 L N 0.015 121.377 121.223 0.231 0.000 2.083 10 L HA -0.207 4.121 4.340 -0.020 0.000 0.209 10 L C 0.967 177.917 176.870 0.134 0.000 1.083 10 L CA 1.503 56.441 54.840 0.163 0.000 0.752 10 L CB 0.001 42.119 42.059 0.099 0.000 0.899 10 L HN 0.297 nan 8.230 nan 0.000 0.433 11 D N -1.257 119.205 120.400 0.104 0.000 2.368 11 D HA 0.061 4.689 4.640 -0.020 0.000 0.218 11 D C 0.361 176.712 176.300 0.084 0.000 1.112 11 D CA 0.147 54.194 54.000 0.078 0.000 0.834 11 D CB 0.282 41.105 40.800 0.039 0.000 0.953 11 D HN 0.193 nan 8.370 nan 0.000 0.505 12 T N 0.629 115.269 114.554 0.143 0.000 2.901 12 T HA 0.117 4.454 4.350 -0.020 0.000 0.301 12 T C 1.173 175.891 174.700 0.030 0.000 1.012 12 T CA 0.177 62.324 62.100 0.078 0.000 1.135 12 T CB 1.924 70.868 68.868 0.127 0.000 0.936 12 T HN 0.062 nan 8.240 nan 0.000 0.539 13 E N 0.559 120.624 120.200 -0.224 0.000 2.571 13 E HA 0.122 4.459 4.350 -0.020 0.000 0.222 13 E C -0.755 175.340 176.600 -0.841 0.000 0.904 13 E CA 0.021 56.209 56.400 -0.355 0.000 1.157 13 E CB 0.660 30.147 29.700 -0.356 0.000 1.158 13 E HN 0.598 nan 8.360 nan 0.000 0.540 14 Y N -0.363 119.423 120.300 -0.856 0.000 2.393 14 Y HA 0.457 4.995 4.550 -0.021 0.000 0.341 14 Y C -0.508 174.725 175.900 -1.113 0.000 0.988 14 Y CA -0.796 56.873 58.100 -0.718 0.000 1.078 14 Y CB 1.021 39.273 38.460 -0.346 0.000 1.203 14 Y HN -0.193 nan 8.280 nan 0.000 0.453 15 F N 0.309 120.392 119.950 0.222 0.000 2.613 15 F HA 0.810 5.325 4.527 -0.021 0.000 0.314 15 F C 0.366 176.291 175.800 0.208 0.000 1.075 15 F CA -1.218 56.902 58.000 0.200 0.000 0.945 15 F CB 2.112 41.205 39.000 0.155 0.000 1.310 15 F HN 0.511 nan 8.300 nan 0.000 0.467 16 G N -0.267 108.825 108.800 0.487 0.000 2.730 16 G HA2 0.649 4.597 3.960 -0.020 0.000 0.289 16 G HA3 0.649 4.597 3.960 -0.020 0.000 0.289 16 G C -1.626 173.512 174.900 0.398 0.000 1.341 16 G CA -0.788 44.548 45.100 0.393 0.000 0.932 16 G HN 0.506 nan 8.290 nan 0.000 0.481 17 T N 0.400 115.131 114.554 0.296 0.000 2.885 17 T HA 0.645 4.982 4.350 -0.020 0.000 0.285 17 T C -0.124 174.711 174.700 0.224 0.000 1.019 17 T CA -0.164 62.066 62.100 0.217 0.000 1.010 17 T CB 1.174 70.120 68.868 0.130 0.000 1.022 17 T HN 0.716 nan 8.240 nan 0.000 0.466 18 I N -1.121 119.557 120.570 0.180 0.000 2.969 18 I HA 0.961 5.119 4.170 -0.020 0.000 0.307 18 I C -0.278 175.931 176.117 0.153 0.000 1.149 18 I CA -1.238 60.147 61.300 0.143 0.000 1.008 18 I CB 2.311 40.349 38.000 0.062 0.000 1.232 18 I HN 0.722 nan 8.210 nan 0.000 0.435 19 G N 3.987 112.854 108.800 0.112 0.000 2.482 19 G HA2 0.804 4.752 3.960 -0.020 0.000 0.317 19 G HA3 0.804 4.752 3.960 -0.020 0.000 0.317 19 G C -1.206 173.757 174.900 0.105 0.000 1.241 19 G CA -0.841 44.338 45.100 0.131 0.000 0.967 19 G HN 0.641 nan 8.290 nan 0.000 0.482 20 I N 0.855 121.527 120.570 0.170 0.000 2.569 20 I HA 0.683 4.841 4.170 -0.020 0.000 0.290 20 I C 0.513 176.795 176.117 0.276 0.000 1.088 20 I CA -0.345 60.976 61.300 0.036 0.000 1.047 20 I CB 1.994 39.773 38.000 -0.368 0.000 1.237 20 I HN 1.113 nan 8.210 nan 0.000 0.421 21 G N 3.829 112.757 108.800 0.213 0.000 2.710 21 G HA2 -0.101 3.847 3.960 -0.020 0.000 0.668 21 G HA3 -0.101 3.847 3.960 -0.020 0.000 0.668 21 G C -0.702 174.322 174.900 0.207 0.000 1.320 21 G CA -0.858 44.445 45.100 0.338 0.000 0.860 21 G HN 0.587 nan 8.290 nan 0.000 0.538 22 T N 3.457 118.127 114.554 0.193 0.000 2.892 22 T HA 0.647 4.985 4.350 -0.020 0.000 0.311 22 T C -2.254 172.503 174.700 0.095 0.000 1.033 22 T CA -0.550 61.624 62.100 0.124 0.000 0.991 22 T CB 2.189 71.122 68.868 0.110 0.000 0.981 22 T HN 0.633 nan 8.240 nan 0.000 0.457 23 P HA 0.413 nan 4.420 nan 0.000 0.274 23 P C -0.456 176.894 177.300 0.084 0.000 1.246 23 P CA -0.617 62.520 63.100 0.061 0.000 0.795 23 P CB 0.509 32.230 31.700 0.034 0.000 1.006 24 A N 1.558 124.424 122.820 0.077 0.000 2.462 24 A HA 0.163 4.471 4.320 -0.020 0.000 0.243 24 A C 0.115 177.746 177.584 0.079 0.000 1.076 24 A CA -0.055 52.044 52.037 0.102 0.000 0.773 24 A CB -0.427 18.619 19.000 0.077 0.000 1.010 24 A HN 0.527 nan 8.150 nan 0.000 0.493 25 Q N 1.416 121.307 119.800 0.151 0.000 2.307 25 Q HA 0.311 4.638 4.340 -0.020 0.000 0.262 25 Q C -1.204 174.753 176.000 -0.072 0.000 0.961 25 Q CA -0.742 55.083 55.803 0.037 0.000 0.882 25 Q CB 1.738 30.586 28.738 0.182 0.000 1.264 25 Q HN 0.693 nan 8.270 nan 0.000 0.446 26 D N 1.962 122.182 120.400 -0.301 0.000 2.264 26 D HA 0.458 5.086 4.640 -0.020 0.000 0.249 26 D C -0.741 175.121 176.300 -0.731 0.000 1.070 26 D CA 0.268 54.104 54.000 -0.273 0.000 0.912 26 D CB 0.903 41.616 40.800 -0.146 0.000 1.193 26 D HN 0.260 nan 8.370 nan 0.000 0.427 27 F N -0.549 119.409 119.950 0.013 0.000 2.619 27 F HA 0.229 4.743 4.527 -0.022 0.000 0.308 27 F C 0.285 176.091 175.800 0.010 0.000 1.097 27 F CA -0.821 57.181 58.000 0.002 0.000 0.953 27 F CB 1.966 40.945 39.000 -0.036 0.000 1.287 27 F HN -0.094 nan 8.300 nan 0.000 0.446 28 T N 3.070 117.748 114.554 0.206 0.000 2.767 28 T HA 0.640 4.978 4.350 -0.020 0.000 0.288 28 T C -0.644 174.154 174.700 0.164 0.000 0.963 28 T CA -0.562 61.636 62.100 0.164 0.000 1.019 28 T CB 1.070 69.991 68.868 0.089 0.000 0.923 28 T HN 0.572 nan 8.240 nan 0.000 0.468 29 V N 1.504 121.508 119.914 0.150 0.000 3.040 29 V HA 0.710 4.818 4.120 -0.020 0.000 0.312 29 V C -0.651 175.489 176.094 0.078 0.000 1.115 29 V CA -1.344 60.948 62.300 -0.014 0.000 0.998 29 V CB 1.640 33.283 31.823 -0.300 0.000 1.042 29 V HN 0.815 nan 8.190 nan 0.000 0.433 30 I N 2.547 123.039 120.570 -0.131 0.000 2.395 30 I HA 0.347 4.504 4.170 -0.020 0.000 0.289 30 I C -0.743 175.218 176.117 -0.260 0.000 1.023 30 I CA 0.017 61.241 61.300 -0.127 0.000 1.350 30 I CB 1.002 38.767 38.000 -0.392 0.000 1.409 30 I HN 0.540 nan 8.210 nan 0.000 0.507 31 F N 4.288 124.156 119.950 -0.136 0.000 2.351 31 F HA 0.165 4.682 4.527 -0.018 0.000 0.362 31 F C 0.353 176.064 175.800 -0.149 0.000 1.131 31 F CA -0.459 57.450 58.000 -0.153 0.000 1.187 31 F CB 0.161 39.070 39.000 -0.152 0.000 1.434 31 F HN 0.365 nan 8.300 nan 0.000 0.553 32 D N 1.835 122.198 120.400 -0.061 0.000 2.443 32 D HA 0.080 4.708 4.640 -0.020 0.000 0.221 32 D C 1.253 177.582 176.300 0.048 0.000 1.097 32 D CA -0.173 53.831 54.000 0.007 0.000 0.865 32 D CB 0.940 41.740 40.800 -0.000 0.000 1.034 32 D HN 0.512 nan 8.370 nan 0.000 0.511 33 T N -0.053 114.525 114.554 0.040 0.000 3.113 33 T HA 0.031 4.369 4.350 -0.020 0.000 0.263 33 T C 1.592 176.487 174.700 0.325 0.000 1.143 33 T CA 0.401 62.569 62.100 0.114 0.000 1.090 33 T CB 0.052 68.833 68.868 -0.145 0.000 0.922 33 T HN 0.304 nan 8.240 nan 0.000 0.521 34 G N 0.807 109.775 108.800 0.280 0.000 3.141 34 G HA2 0.433 4.381 3.960 -0.020 0.000 0.218 34 G HA3 0.433 4.381 3.960 -0.020 0.000 0.218 34 G C 0.281 175.449 174.900 0.447 0.000 1.170 34 G CA 0.089 45.433 45.100 0.407 0.000 0.769 34 G HN 0.786 nan 8.290 nan 0.000 0.546 35 S N -2.239 113.652 115.700 0.320 0.000 2.671 35 S HA 0.646 5.104 4.470 -0.020 0.000 0.277 35 S C -0.016 174.697 174.600 0.188 0.000 1.165 35 S CA -0.308 58.080 58.200 0.314 0.000 0.822 35 S CB 1.823 65.311 63.200 0.481 0.000 1.150 35 S HN -0.088 nan 8.310 nan 0.000 0.479 36 S N 0.045 115.843 115.700 0.162 0.000 2.733 36 S HA 0.361 4.819 4.470 -0.020 0.000 0.247 36 S C -0.179 174.477 174.600 0.093 0.000 1.043 36 S CA -0.373 57.888 58.200 0.101 0.000 1.066 36 S CB -0.252 62.986 63.200 0.063 0.000 1.045 36 S HN 0.694 nan 8.310 nan 0.000 0.586 37 N N 1.358 120.142 118.700 0.141 0.000 2.489 37 N HA 0.590 5.317 4.740 -0.020 0.000 0.284 37 N C -1.085 174.497 175.510 0.120 0.000 1.158 37 N CA -0.541 52.594 53.050 0.142 0.000 0.965 37 N CB 0.963 39.574 38.487 0.208 0.000 1.195 37 N HN 0.082 nan 8.380 nan 0.000 0.506 38 L N 2.934 124.209 121.223 0.087 0.000 2.313 38 L HA 0.672 5.000 4.340 -0.020 0.000 0.283 38 L C -1.504 175.435 176.870 0.114 0.000 1.013 38 L CA -0.455 54.375 54.840 -0.016 0.000 0.816 38 L CB 0.342 42.365 42.059 -0.059 0.000 1.236 38 L HN 0.594 nan 8.230 nan 0.000 0.419 39 W N 5.458 126.748 121.300 -0.016 0.000 3.213 39 W HA 0.744 5.404 4.660 -0.001 0.000 0.318 39 W C -1.920 174.560 176.519 -0.065 0.000 1.248 39 W CA -0.887 56.459 57.345 0.001 0.000 1.187 39 W CB 0.719 30.184 29.460 0.009 0.000 1.403 39 W HN 0.609 nan 8.180 nan 0.000 0.556 40 V N -2.008 117.992 119.914 0.143 0.000 3.159 40 V HA 0.705 4.813 4.120 -0.020 0.000 0.308 40 V C -2.998 173.262 176.094 0.277 0.000 1.190 40 V CA -2.994 59.231 62.300 -0.124 0.000 1.037 40 V CB 1.771 33.146 31.823 -0.746 0.000 1.060 40 V HN 0.307 nan 8.190 nan 0.000 0.437 41 P HA 0.301 nan 4.420 nan 0.000 0.276 41 P C -0.281 177.156 177.300 0.228 0.000 1.230 41 P CA 0.334 63.602 63.100 0.279 0.000 0.776 41 P CB 0.946 32.791 31.700 0.242 0.000 0.888 42 S N 2.062 117.867 115.700 0.175 0.000 2.617 42 S HA 0.080 4.538 4.470 -0.020 0.000 0.269 42 S C 1.313 175.925 174.600 0.020 0.000 1.292 42 S CA -0.584 57.688 58.200 0.119 0.000 1.010 42 S CB 0.466 63.738 63.200 0.119 0.000 0.944 42 S HN 0.260 nan 8.310 nan 0.000 0.536 43 V N 4.317 124.126 119.914 -0.175 0.000 2.913 43 V HA -0.032 4.075 4.120 -0.020 0.000 0.260 43 V C 0.788 176.698 176.094 -0.308 0.000 1.098 43 V CA 1.576 63.713 62.300 -0.271 0.000 1.121 43 V CB -0.903 30.653 31.823 -0.444 0.000 0.714 43 V HN 0.931 nan 8.190 nan 0.000 0.487 44 Y N -0.924 119.404 120.300 0.046 0.000 2.502 44 Y HA 0.238 4.773 4.550 -0.026 0.000 0.295 44 Y C 1.460 177.383 175.900 0.038 0.000 1.193 44 Y CA -0.435 57.685 58.100 0.033 0.000 1.295 44 Y CB -1.001 37.474 38.460 0.025 0.000 1.059 44 Y HN 0.324 nan 8.280 nan 0.000 0.514 45 c N 2.150 120.832 118.600 0.138 0.000 2.383 45 c HA 0.255 4.813 4.570 -0.020 0.000 0.350 45 c C 1.700 175.847 174.090 0.096 0.000 1.173 45 c CA 0.132 56.527 56.329 0.109 0.000 1.645 45 c CB -1.534 41.036 42.510 0.099 0.000 2.221 45 c HN 0.566 nan 8.230 nan 0.000 0.528 46 S N 3.459 119.213 115.700 0.090 0.000 2.558 46 S HA 0.016 4.474 4.470 -0.020 0.000 0.217 46 S C 0.934 175.568 174.600 0.057 0.000 0.975 46 S CA 0.436 58.679 58.200 0.073 0.000 0.912 46 S CB -0.291 62.948 63.200 0.065 0.000 0.776 46 S HN 0.943 nan 8.310 nan 0.000 0.526 47 S N 0.976 116.709 115.700 0.056 0.000 2.558 47 S HA 0.163 4.621 4.470 -0.020 0.000 0.287 47 S C 1.180 175.814 174.600 0.055 0.000 1.321 47 S CA -0.500 57.728 58.200 0.047 0.000 1.048 47 S CB 0.055 63.282 63.200 0.045 0.000 0.844 47 S HN 0.465 nan 8.310 nan 0.000 0.512 48 L N 3.793 125.033 121.223 0.029 0.000 2.131 48 L HA -0.102 4.225 4.340 -0.020 0.000 0.210 48 L C 2.812 179.728 176.870 0.076 0.000 1.092 48 L CA 1.563 56.408 54.840 0.009 0.000 0.759 48 L CB -0.828 41.189 42.059 -0.071 0.000 0.903 48 L HN 0.900 nan 8.230 nan 0.000 0.435 49 A N -1.501 121.380 122.820 0.101 0.000 2.121 49 A HA -0.179 4.129 4.320 -0.020 0.000 0.218 49 A C 2.214 179.957 177.584 0.266 0.000 1.154 49 A CA 1.284 53.453 52.037 0.220 0.000 0.679 49 A CB -0.875 18.218 19.000 0.155 0.000 0.795 49 A HN 0.547 nan 8.150 nan 0.000 0.458 50 c N 0.262 118.974 118.600 0.187 0.000 2.562 50 c HA 0.167 4.725 4.570 -0.020 0.000 0.266 50 c C 1.381 175.609 174.090 0.230 0.000 1.382 50 c CA -0.229 56.211 56.329 0.185 0.000 1.742 50 c CB -1.390 41.195 42.510 0.125 0.000 1.812 50 c HN 0.464 nan 8.230 nan 0.000 0.559 51 S N 1.121 116.955 115.700 0.222 0.000 2.572 51 S HA 0.165 4.623 4.470 -0.020 0.000 0.279 51 S C 0.407 175.039 174.600 0.053 0.000 1.341 51 S CA 0.131 58.425 58.200 0.156 0.000 1.043 51 S CB 0.252 63.569 63.200 0.195 0.000 0.887 51 S HN 0.591 nan 8.310 nan 0.000 0.516 52 D N 0.161 120.536 120.400 -0.042 0.000 3.076 52 D HA -0.142 4.486 4.640 -0.020 0.000 0.218 52 D C -0.370 175.688 176.300 -0.403 0.000 1.156 52 D CA 1.359 55.223 54.000 -0.226 0.000 0.921 52 D CB -1.022 39.584 40.800 -0.324 0.000 1.113 52 D HN 0.564 nan 8.370 nan 0.000 0.418 53 H N -0.190 118.836 119.070 -0.073 0.000 2.621 53 H HA 0.357 4.902 4.556 -0.018 0.000 0.360 53 H C 0.534 175.855 175.328 -0.012 0.000 1.163 53 H CA -0.729 55.288 56.048 -0.052 0.000 1.194 53 H CB 1.069 30.831 29.762 -0.000 0.000 1.649 53 H HN -0.047 nan 8.280 nan 0.000 0.532 54 N N 2.115 120.893 118.700 0.130 0.000 2.513 54 N HA 0.055 4.783 4.740 -0.020 0.000 0.268 54 N C -0.417 175.257 175.510 0.273 0.000 1.180 54 N CA 0.215 53.271 53.050 0.010 0.000 0.948 54 N CB 1.146 39.469 38.487 -0.273 0.000 1.083 54 N HN 0.466 nan 8.380 nan 0.000 0.455 55 Q N 0.966 120.919 119.800 0.255 0.000 2.356 55 Q HA 0.344 4.672 4.340 -0.020 0.000 0.270 55 Q C -1.028 175.240 176.000 0.446 0.000 1.058 55 Q CA -0.709 55.324 55.803 0.384 0.000 0.802 55 Q CB 2.125 30.959 28.738 0.160 0.000 1.303 55 Q HN 0.465 nan 8.270 nan 0.000 0.444 56 F N 2.768 122.943 119.950 0.374 0.000 2.438 56 F HA 0.235 4.748 4.527 -0.024 0.000 0.356 56 F C -0.093 175.702 175.800 -0.007 0.000 1.099 56 F CA -0.321 57.849 58.000 0.284 0.000 1.185 56 F CB 0.595 39.712 39.000 0.196 0.000 1.115 56 F HN 0.442 nan 8.300 nan 0.000 0.526 57 N N 8.526 126.791 118.700 -0.725 0.000 2.546 57 N HA 0.315 5.043 4.740 -0.020 0.000 0.238 57 N C -2.106 172.799 175.510 -1.008 0.000 0.984 57 N CA -2.536 50.113 53.050 -0.669 0.000 0.935 57 N CB 1.431 39.668 38.487 -0.418 0.000 1.122 57 N HN 0.242 nan 8.380 nan 0.000 0.510 58 P HA -0.080 nan 4.420 nan 0.000 0.218 58 P C 0.300 177.415 177.300 -0.308 0.000 1.148 58 P CA 1.132 63.764 63.100 -0.778 0.000 0.822 58 P CB 0.447 31.696 31.700 -0.752 0.000 0.784 59 D N -0.730 119.544 120.400 -0.211 0.000 2.312 59 D HA -0.094 4.534 4.640 -0.020 0.000 0.211 59 D C 1.010 177.261 176.300 -0.082 0.000 0.964 59 D CA 0.876 54.836 54.000 -0.066 0.000 0.877 59 D CB -0.469 40.319 40.800 -0.021 0.000 0.924 59 D HN 0.186 nan 8.370 nan 0.000 0.515 60 D N -0.309 119.988 120.400 -0.172 0.000 2.349 60 D HA -0.011 4.617 4.640 -0.020 0.000 0.215 60 D C 0.341 176.607 176.300 -0.057 0.000 1.016 60 D CA 0.366 54.292 54.000 -0.124 0.000 0.870 60 D CB 0.264 40.962 40.800 -0.170 0.000 0.917 60 D HN -0.070 nan 8.370 nan 0.000 0.524 61 S N -0.251 115.435 115.700 -0.024 0.000 2.433 61 S HA 0.241 4.698 4.470 -0.020 0.000 0.310 61 S C 1.158 175.870 174.600 0.187 0.000 1.097 61 S CA -0.604 57.674 58.200 0.130 0.000 1.103 61 S CB 1.086 64.472 63.200 0.309 0.000 0.992 61 S HN 0.050 nan 8.310 nan 0.000 0.469 62 S N 2.763 118.553 115.700 0.149 0.000 2.562 62 S HA -0.037 4.421 4.470 -0.020 0.000 0.221 62 S C 1.272 175.967 174.600 0.158 0.000 0.975 62 S CA 0.788 59.070 58.200 0.136 0.000 0.918 62 S CB -0.508 62.746 63.200 0.090 0.000 0.772 62 S HN 0.839 nan 8.310 nan 0.000 0.531 63 T N -1.858 112.818 114.554 0.204 0.000 3.054 63 T HA 0.345 4.682 4.350 -0.020 0.000 0.255 63 T C 0.052 174.908 174.700 0.260 0.000 1.035 63 T CA -0.657 61.556 62.100 0.188 0.000 0.941 63 T CB -0.571 68.392 68.868 0.158 0.000 1.026 63 T HN 0.296 nan 8.240 nan 0.000 0.533 64 F N 2.945 123.029 119.950 0.223 0.000 2.518 64 F HA 0.444 4.959 4.527 -0.021 0.000 0.359 64 F C 0.340 176.273 175.800 0.222 0.000 1.118 64 F CA -0.854 57.323 58.000 0.296 0.000 1.287 64 F CB 0.573 39.809 39.000 0.393 0.000 1.132 64 F HN 0.146 nan 8.300 nan 0.000 0.587 65 E N 5.046 124.787 120.200 -0.765 0.000 2.255 65 E HA 0.573 4.911 4.350 -0.020 0.000 0.256 65 E C -1.328 174.781 176.600 -0.819 0.000 0.887 65 E CA -0.962 55.127 56.400 -0.519 0.000 0.782 65 E CB 1.219 30.806 29.700 -0.188 0.000 1.214 65 E HN 0.870 nan 8.360 nan 0.000 0.417 66 A N 3.045 125.557 122.820 -0.513 0.000 2.332 66 A HA 0.562 4.870 4.320 -0.020 0.000 0.258 66 A C 0.340 177.888 177.584 -0.060 0.000 1.087 66 A CA 0.133 52.056 52.037 -0.190 0.000 0.802 66 A CB 0.869 19.974 19.000 0.175 0.000 1.042 66 A HN 0.695 nan 8.150 nan 0.000 0.489 70 E N 2.443 122.621 120.200 -0.036 0.000 2.313 70 E HA 0.500 4.837 4.350 -0.020 0.000 0.272 70 E C -1.372 175.194 176.600 -0.057 0.000 1.038 70 E CA -0.628 55.747 56.400 -0.042 0.000 0.863 70 E CB 1.040 30.718 29.700 -0.037 0.000 1.060 70 E HN 0.464 nan 8.360 nan 0.000 0.402 71 L N 2.965 124.148 121.223 -0.066 0.000 2.322 71 L HA 0.419 4.747 4.340 -0.020 0.000 0.281 71 L C -1.028 175.785 176.870 -0.096 0.000 1.014 71 L CA -0.111 54.680 54.840 -0.081 0.000 0.815 71 L CB 1.934 43.941 42.059 -0.086 0.000 1.247 71 L HN 0.391 nan 8.230 nan 0.000 0.421 72 S N 5.375 121.013 115.700 -0.104 0.000 2.733 72 S HA 0.628 5.085 4.470 -0.020 0.000 0.307 72 S C -0.975 173.527 174.600 -0.163 0.000 1.127 72 S CA -0.504 57.623 58.200 -0.121 0.000 1.097 72 S CB 0.431 63.574 63.200 -0.094 0.000 1.003 72 S HN 0.587 nan 8.310 nan 0.000 0.477 73 I N 4.737 125.169 120.570 -0.231 0.000 2.404 73 I HA 0.699 4.857 4.170 -0.020 0.000 0.293 73 I C -0.279 175.616 176.117 -0.371 0.000 0.992 73 I CA 0.334 61.438 61.300 -0.327 0.000 1.149 73 I CB 2.151 39.915 38.000 -0.394 0.000 1.315 73 I HN 0.584 nan 8.210 nan 0.000 0.446 74 T N 5.612 119.893 114.554 -0.454 0.000 2.933 74 T HA 0.480 4.818 4.350 -0.020 0.000 0.305 74 T C -0.923 173.468 174.700 -0.516 0.000 1.092 74 T CA -0.138 61.748 62.100 -0.356 0.000 1.008 74 T CB 0.634 69.403 68.868 -0.165 0.000 1.102 74 T HN 0.400 nan 8.240 nan 0.000 0.469 75 Y N 2.451 122.815 120.300 0.107 0.000 2.720 75 Y HA 0.455 4.988 4.550 -0.029 0.000 0.268 75 Y C 1.705 177.655 175.900 0.084 0.000 1.142 75 Y CA -0.098 58.090 58.100 0.148 0.000 1.193 75 Y CB 0.673 39.286 38.460 0.254 0.000 1.176 75 Y HN 1.042 nan 8.280 nan 0.000 0.542 76 G N 0.377 109.246 108.800 0.115 0.000 2.175 76 G HA2 -0.313 3.635 3.960 -0.020 0.000 0.244 76 G HA3 -0.313 3.635 3.960 -0.020 0.000 0.244 76 G C 0.699 175.633 174.900 0.056 0.000 0.982 76 G CA 0.658 45.801 45.100 0.073 0.000 0.641 76 G HN 0.509 nan 8.290 nan 0.000 0.527 77 T N -2.436 112.163 114.554 0.074 0.000 3.487 77 T HA 0.674 5.012 4.350 -0.020 0.000 0.287 77 T C 0.863 175.579 174.700 0.025 0.000 1.004 77 T CA 0.982 63.111 62.100 0.048 0.000 0.977 77 T CB 0.749 69.653 68.868 0.060 0.000 1.180 77 T HN 2.328 nan 8.240 nan 0.000 0.490 78 G N 0.510 109.316 108.800 0.010 0.000 2.459 78 G HA2 0.274 4.221 3.960 -0.020 0.000 0.685 78 G HA3 0.274 4.221 3.960 -0.020 0.000 0.685 78 G C -0.905 173.975 174.900 -0.032 0.000 1.303 78 G CA -0.646 44.445 45.100 -0.016 0.000 0.907 78 G HN 0.500 nan 8.290 nan 0.000 0.632 79 S N -0.036 115.629 115.700 -0.058 0.000 2.621 79 S HA 0.887 5.344 4.470 -0.020 0.000 0.302 79 S C 0.265 174.798 174.600 -0.112 0.000 1.093 79 S CA -0.615 57.526 58.200 -0.098 0.000 1.017 79 S CB 1.404 64.549 63.200 -0.091 0.000 1.077 79 S HN 0.642 nan 8.310 nan 0.000 0.517 80 M N 1.972 121.470 119.600 -0.169 0.000 2.464 80 M HA 0.466 4.934 4.480 -0.020 0.000 0.308 80 M C -0.623 175.563 176.300 -0.189 0.000 1.127 80 M CA -0.651 54.530 55.300 -0.198 0.000 0.913 80 M CB 2.403 34.806 32.600 -0.328 0.000 1.689 80 M HN 0.793 nan 8.290 nan 0.000 0.445 81 T N -0.876 113.593 114.554 -0.142 0.000 2.916 81 T HA 0.994 5.332 4.350 -0.020 0.000 0.292 81 T C -0.203 174.444 174.700 -0.089 0.000 1.064 81 T CA -0.448 61.585 62.100 -0.111 0.000 1.011 81 T CB 2.508 71.330 68.868 -0.076 0.000 1.152 81 T HN 0.966 nan 8.240 nan 0.000 0.510 82 G N 0.074 108.832 108.800 -0.069 0.000 2.510 82 G HA2 0.559 4.507 3.960 -0.020 0.000 0.277 82 G HA3 0.559 4.507 3.960 -0.020 0.000 0.277 82 G C -2.080 172.801 174.900 -0.031 0.000 1.223 82 G CA -0.497 44.584 45.100 -0.032 0.000 0.887 82 G HN 0.920 nan 8.290 nan 0.000 0.485 83 I N -0.439 120.118 120.570 -0.022 0.000 2.934 83 I HA 0.692 4.849 4.170 -0.020 0.000 0.306 83 I C -0.929 175.132 176.117 -0.094 0.000 1.110 83 I CA -1.067 60.213 61.300 -0.033 0.000 1.019 83 I CB 2.195 40.210 38.000 0.025 0.000 1.227 83 I HN 0.450 nan 8.210 nan 0.000 0.434 84 L N 4.504 125.653 121.223 -0.122 0.000 2.325 84 L HA 0.806 5.134 4.340 -0.020 0.000 0.279 84 L C 0.244 176.953 176.870 -0.269 0.000 1.054 84 L CA -0.250 54.449 54.840 -0.235 0.000 0.804 84 L CB 1.290 43.215 42.059 -0.224 0.000 1.200 84 L HN 0.723 nan 8.230 nan 0.000 0.436 85 G N 0.956 109.465 108.800 -0.485 0.000 2.725 85 G HA2 0.619 4.566 3.960 -0.020 0.000 0.288 85 G HA3 0.619 4.566 3.960 -0.020 0.000 0.288 85 G C -2.162 172.450 174.900 -0.480 0.000 1.399 85 G CA -0.343 44.513 45.100 -0.406 0.000 0.859 85 G HN 0.272 nan 8.290 nan 0.000 0.479 86 Y N -0.226 119.930 120.300 -0.241 0.000 2.446 86 Y HA 0.663 5.202 4.550 -0.018 0.000 0.345 86 Y C -0.044 175.966 175.900 0.182 0.000 0.984 86 Y CA -0.378 57.744 58.100 0.037 0.000 1.058 86 Y CB 2.884 41.305 38.460 -0.066 0.000 1.220 86 Y HN 0.546 nan 8.280 nan 0.000 0.455 87 D N -0.645 120.030 120.400 0.459 0.000 2.713 87 D HA 0.245 4.872 4.640 -0.020 0.000 0.306 87 D C -1.420 174.971 176.300 0.151 0.000 1.299 87 D CA -0.476 53.726 54.000 0.337 0.000 0.823 87 D CB 2.312 43.370 40.800 0.430 0.000 1.353 87 D HN 0.387 nan 8.370 nan 0.000 0.447 88 T N 0.636 115.253 114.554 0.104 0.000 2.767 88 T HA 0.482 4.820 4.350 -0.020 0.000 0.288 88 T C -0.166 174.520 174.700 -0.024 0.000 0.963 88 T CA -0.388 61.741 62.100 0.049 0.000 1.019 88 T CB 0.966 69.873 68.868 0.065 0.000 0.923 88 T HN 0.093 nan 8.240 nan 0.000 0.468 89 V N 4.836 124.716 119.914 -0.057 0.000 2.398 89 V HA 0.312 4.420 4.120 -0.020 0.000 0.286 89 V C -0.004 176.079 176.094 -0.019 0.000 1.026 89 V CA -0.908 61.334 62.300 -0.097 0.000 0.868 89 V CB 1.575 33.302 31.823 -0.161 0.000 0.982 89 V HN 0.695 nan 8.190 nan 0.000 0.443 90 Q N 3.281 123.085 119.800 0.007 0.000 2.349 90 Q HA 0.465 4.792 4.340 -0.020 0.000 0.254 90 Q C -0.673 175.362 176.000 0.057 0.000 0.980 90 Q CA 0.003 55.829 55.803 0.038 0.000 0.924 90 Q CB 1.745 30.512 28.738 0.049 0.000 1.209 90 Q HN 0.592 nan 8.270 nan 0.000 0.445 91 V N 1.563 121.518 119.914 0.068 0.000 2.524 91 V HA 0.581 4.689 4.120 -0.020 0.000 0.297 91 V C 0.538 176.690 176.094 0.096 0.000 1.035 91 V CA 0.429 62.796 62.300 0.111 0.000 0.867 91 V CB 1.364 33.268 31.823 0.135 0.000 1.004 91 V HN 0.942 nan 8.190 nan 0.000 0.426 92 G N 4.610 113.461 108.800 0.086 0.000 2.249 92 G HA2 0.033 3.980 3.960 -0.020 0.000 0.273 92 G HA3 0.033 3.980 3.960 -0.020 0.000 0.273 92 G C 1.432 176.368 174.900 0.059 0.000 1.036 92 G CA 1.031 46.168 45.100 0.061 0.000 0.824 92 G HN 2.602 nan 8.290 nan 0.000 0.504 93 G N -1.760 107.073 108.800 0.056 0.000 2.199 93 G HA2 -0.268 3.679 3.960 -0.020 0.000 0.254 93 G HA3 -0.268 3.679 3.960 -0.020 0.000 0.254 93 G C 0.459 175.387 174.900 0.047 0.000 0.982 93 G CA 0.538 45.667 45.100 0.048 0.000 0.632 93 G HN 1.328 nan 8.290 nan 0.000 0.529 94 I N 1.431 122.033 120.570 0.052 0.000 2.499 94 I HA 0.454 4.612 4.170 -0.020 0.000 0.296 94 I C 0.310 176.451 176.117 0.039 0.000 0.992 94 I CA -0.510 60.818 61.300 0.046 0.000 1.297 94 I CB 1.851 39.881 38.000 0.051 0.000 1.410 94 I HN 0.014 nan 8.210 nan 0.000 0.507 95 S N 3.450 119.168 115.700 0.031 0.000 2.434 95 S HA 0.103 4.560 4.470 -0.020 0.000 0.318 95 S C -0.356 174.256 174.600 0.020 0.000 1.062 95 S CA -0.434 57.782 58.200 0.027 0.000 1.116 95 S CB 0.093 63.309 63.200 0.027 0.000 0.977 95 S HN 0.505 nan 8.310 nan 0.000 0.480 96 D N 3.849 124.259 120.400 0.018 0.000 2.483 96 D HA 0.119 4.747 4.640 -0.020 0.000 0.220 96 D C 0.586 176.898 176.300 0.020 0.000 1.173 96 D CA -0.260 53.747 54.000 0.012 0.000 0.964 96 D CB 0.105 40.909 40.800 0.006 0.000 1.046 96 D HN 0.451 nan 8.370 nan 0.000 0.517 97 T N 1.012 115.581 114.554 0.024 0.000 2.860 97 T HA 0.180 4.518 4.350 -0.020 0.000 0.299 97 T C 0.611 175.347 174.700 0.059 0.000 1.045 97 T CA -0.728 61.395 62.100 0.038 0.000 1.071 97 T CB 0.194 69.074 68.868 0.020 0.000 0.985 97 T HN 0.531 nan 8.240 nan 0.000 0.537 98 N N 0.004 118.757 118.700 0.087 0.000 2.714 98 N HA -0.190 4.538 4.740 -0.020 0.000 0.252 98 N C -0.656 175.015 175.510 0.269 0.000 1.014 98 N CA 0.303 53.438 53.050 0.142 0.000 0.735 98 N CB -0.718 37.784 38.487 0.025 0.000 0.924 98 N HN 0.770 nan 8.380 nan 0.000 0.540 99 Q N 1.330 121.270 119.800 0.233 0.000 2.296 99 Q HA 0.493 4.820 4.340 -0.020 0.000 0.257 99 Q C -0.477 175.648 176.000 0.210 0.000 0.942 99 Q CA -0.436 55.475 55.803 0.180 0.000 0.939 99 Q CB 0.908 29.683 28.738 0.061 0.000 1.198 99 Q HN 0.435 nan 8.270 nan 0.000 0.429 100 I N 5.850 126.441 120.570 0.035 0.000 2.474 100 I HA 0.425 4.583 4.170 -0.020 0.000 0.287 100 I C -1.020 175.112 176.117 0.025 0.000 1.048 100 I CA -0.423 60.692 61.300 -0.309 0.000 1.383 100 I CB 0.163 37.833 38.000 -0.550 0.000 1.412 100 I HN 0.739 nan 8.210 nan 0.000 0.531 101 F N 5.518 125.331 119.950 -0.228 0.000 2.662 101 F HA 0.840 5.354 4.527 -0.021 0.000 0.312 101 F C -0.486 175.264 175.800 -0.083 0.000 1.113 101 F CA -1.117 56.801 58.000 -0.137 0.000 0.951 101 F CB 0.681 39.581 39.000 -0.167 0.000 1.344 101 F HN 0.417 nan 8.300 nan 0.000 0.462 102 G N 1.425 110.203 108.800 -0.036 0.000 2.389 102 G HA2 0.612 4.560 3.960 -0.020 0.000 0.328 102 G HA3 0.612 4.560 3.960 -0.020 0.000 0.328 102 G C -1.716 173.171 174.900 -0.022 0.000 1.133 102 G CA -1.008 44.037 45.100 -0.092 0.000 0.891 102 G HN 0.790 nan 8.290 nan 0.000 0.485 103 L N 2.078 123.250 121.223 -0.085 0.000 2.301 103 L HA 0.280 4.608 4.340 -0.020 0.000 0.278 103 L C 0.644 177.554 176.870 0.066 0.000 1.022 103 L CA -0.536 54.318 54.840 0.024 0.000 0.854 103 L CB 1.483 43.547 42.059 0.009 0.000 1.226 103 L HN 0.457 nan 8.230 nan 0.000 0.429 104 S N 1.839 117.613 115.700 0.123 0.000 2.488 104 S HA 0.124 4.581 4.470 -0.020 0.000 0.278 104 S C 0.857 175.488 174.600 0.051 0.000 1.259 104 S CA -0.120 58.093 58.200 0.022 0.000 1.061 104 S CB 0.572 63.775 63.200 0.005 0.000 0.910 104 S HN 0.667 nan 8.310 nan 0.000 0.491 105 E N 1.544 121.757 120.200 0.021 0.000 2.391 105 E HA 0.063 4.401 4.350 -0.020 0.000 0.206 105 E C 0.709 177.327 176.600 0.029 0.000 0.851 105 E CA 0.089 56.523 56.400 0.058 0.000 1.059 105 E CB 0.457 30.201 29.700 0.073 0.000 1.065 105 E HN 0.762 nan 8.360 nan 0.000 0.512 106 T N -0.384 114.162 114.554 -0.012 0.000 2.824 106 T HA 0.175 4.513 4.350 -0.020 0.000 0.277 106 T C 0.399 175.086 174.700 -0.021 0.000 0.975 106 T CA -0.858 61.232 62.100 -0.017 0.000 0.966 106 T CB 1.055 69.903 68.868 -0.034 0.000 1.054 106 T HN -0.234 nan 8.240 nan 0.000 0.533 107 E N 2.695 122.887 120.200 -0.013 0.000 2.729 107 E HA 0.024 4.361 4.350 -0.020 0.000 0.246 107 E C -1.416 175.172 176.600 -0.021 0.000 0.984 107 E CA -0.954 55.441 56.400 -0.007 0.000 0.951 107 E CB 0.634 30.329 29.700 -0.007 0.000 0.914 107 E HN 0.526 nan 8.360 nan 0.000 0.509 108 P HA 0.101 nan 4.420 nan 0.000 0.261 108 P C 0.277 177.596 177.300 0.030 0.000 1.268 108 P CA 0.309 63.405 63.100 -0.007 0.000 0.833 108 P CB 0.644 32.351 31.700 0.011 0.000 1.231 109 G N 0.096 108.910 108.800 0.023 0.000 2.692 109 G HA2 -0.182 3.766 3.960 -0.020 0.000 0.686 109 G HA3 -0.182 3.766 3.960 -0.020 0.000 0.686 109 G C 0.648 175.611 174.900 0.105 0.000 1.243 109 G CA -0.225 44.882 45.100 0.012 0.000 0.782 109 G HN -0.044 nan 8.290 nan 0.000 0.625 110 S N 0.334 116.121 115.700 0.146 0.000 2.447 110 S HA -0.011 4.447 4.470 -0.020 0.000 0.233 110 S C 2.069 176.991 174.600 0.536 0.000 1.006 110 S CA 1.804 60.174 58.200 0.284 0.000 0.957 110 S CB -0.256 63.136 63.200 0.320 0.000 0.773 110 S HN 0.513 nan 8.310 nan 0.000 0.507 111 F N 1.380 121.484 119.950 0.257 0.000 2.202 111 F HA -0.036 4.500 4.527 0.015 0.000 0.301 111 F C 1.983 177.915 175.800 0.220 0.000 1.082 111 F CA -0.084 58.096 58.000 0.300 0.000 1.313 111 F CB -1.169 37.970 39.000 0.233 0.000 1.024 111 F HN 0.198 nan 8.300 nan 0.000 0.495 112 L N -0.734 120.680 121.223 0.319 0.000 2.127 112 L HA -0.267 4.060 4.340 -0.020 0.000 0.211 112 L C 2.278 179.226 176.870 0.130 0.000 1.089 112 L CA 1.614 56.496 54.840 0.070 0.000 0.757 112 L CB -1.293 40.759 42.059 -0.012 0.000 0.899 112 L HN 0.217 nan 8.230 nan 0.000 0.434 113 Y N -0.927 119.398 120.300 0.041 0.000 2.207 113 Y HA -0.313 4.223 4.550 -0.022 0.000 0.287 113 Y C 1.639 177.380 175.900 -0.265 0.000 1.156 113 Y CA 2.041 60.060 58.100 -0.135 0.000 1.182 113 Y CB -0.283 37.949 38.460 -0.379 0.000 0.979 113 Y HN 0.332 nan 8.280 nan 0.000 0.521 114 Y N -0.434 119.922 120.300 0.093 0.000 2.457 114 Y HA 0.433 4.965 4.550 -0.030 0.000 0.263 114 Y C 1.079 176.917 175.900 -0.105 0.000 1.164 114 Y CA -0.171 57.908 58.100 -0.035 0.000 1.274 114 Y CB -0.497 37.975 38.460 0.020 0.000 1.097 114 Y HN 0.063 nan 8.280 nan 0.000 0.523 115 A N 2.093 124.894 122.820 -0.032 0.000 2.401 115 A HA 0.289 4.596 4.320 -0.020 0.000 0.259 115 A C -1.514 175.893 177.584 -0.295 0.000 1.103 115 A CA -1.272 50.608 52.037 -0.261 0.000 0.789 115 A CB 0.190 18.694 19.000 -0.827 0.000 1.035 115 A HN 0.078 nan 8.150 nan 0.000 0.491 116 P HA 0.104 nan 4.420 nan 0.000 0.253 116 P C -0.428 176.585 177.300 -0.478 0.000 1.260 116 P CA 0.452 63.319 63.100 -0.389 0.000 0.800 116 P CB -0.429 31.000 31.700 -0.452 0.000 1.162 117 F N -2.096 117.647 119.950 -0.344 0.000 2.561 117 F HA 0.607 5.120 4.527 -0.022 0.000 0.321 117 F C 0.620 176.405 175.800 -0.026 0.000 1.065 117 F CA -1.175 56.690 58.000 -0.224 0.000 0.934 117 F CB 0.712 39.616 39.000 -0.160 0.000 1.215 117 F HN -0.426 nan 8.300 nan 0.000 0.471 118 D N 0.645 121.129 120.400 0.139 0.000 2.324 118 D HA 0.298 4.926 4.640 -0.020 0.000 0.212 118 D C 0.770 177.004 176.300 -0.110 0.000 0.984 118 D CA 0.881 54.922 54.000 0.069 0.000 0.885 118 D CB 1.058 42.031 40.800 0.289 0.000 0.996 118 D HN 0.807 nan 8.370 nan 0.000 0.505 119 G N -0.095 108.575 108.800 -0.217 0.000 2.706 119 G HA2 0.620 4.568 3.960 -0.020 0.000 0.307 119 G HA3 0.620 4.568 3.960 -0.020 0.000 0.307 119 G C -1.628 172.770 174.900 -0.836 0.000 1.307 119 G CA -0.637 43.855 45.100 -1.012 0.000 0.790 119 G HN -0.018 nan 8.290 nan 0.000 0.503 120 I N 0.097 119.925 120.570 -1.236 0.000 2.647 120 I HA 0.497 4.655 4.170 -0.020 0.000 0.295 120 I C -1.175 174.591 176.117 -0.585 0.000 1.078 120 I CA -0.729 60.108 61.300 -0.771 0.000 1.048 120 I CB 2.578 40.221 38.000 -0.594 0.000 1.239 120 I HN 0.319 nan 8.210 nan 0.000 0.421 121 L N 4.696 125.609 121.223 -0.516 0.000 2.353 121 L HA 0.616 4.944 4.340 -0.020 0.000 0.270 121 L C 0.215 176.901 176.870 -0.306 0.000 1.003 121 L CA -0.312 54.253 54.840 -0.459 0.000 0.862 121 L CB 1.156 42.752 42.059 -0.772 0.000 1.221 121 L HN 0.756 nan 8.230 nan 0.000 0.430 122 G N 4.380 113.100 108.800 -0.133 0.000 2.378 122 G HA2 0.352 4.300 3.960 -0.020 0.000 0.255 122 G HA3 0.352 4.300 3.960 -0.020 0.000 0.255 122 G C 0.201 175.084 174.900 -0.027 0.000 1.270 122 G CA -0.362 44.728 45.100 -0.017 0.000 0.876 122 G HN 0.727 nan 8.290 nan 0.000 0.521 123 L N 1.731 122.952 121.223 -0.004 0.000 3.014 123 L HA 0.326 4.654 4.340 -0.020 0.000 0.263 123 L C 1.510 178.549 176.870 0.281 0.000 1.207 123 L CA -0.264 54.560 54.840 -0.027 0.000 1.017 123 L CB 0.073 41.932 42.059 -0.332 0.000 1.360 123 L HN 0.606 nan 8.230 nan 0.000 0.560 124 A N -0.999 121.975 122.820 0.256 0.000 2.257 124 A HA 0.509 4.817 4.320 -0.020 0.000 0.290 124 A C -0.751 176.880 177.584 0.079 0.000 1.201 124 A CA -0.219 51.962 52.037 0.241 0.000 0.863 124 A CB 0.140 19.225 19.000 0.141 0.000 1.256 124 A HN 0.088 nan 8.150 nan 0.000 0.506 125 Y N 0.071 120.263 120.300 -0.180 0.000 2.379 125 Y HA 0.232 4.769 4.550 -0.021 0.000 0.337 125 Y C -1.062 174.789 175.900 -0.082 0.000 1.238 125 Y CA -1.256 56.758 58.100 -0.144 0.000 1.405 125 Y CB 0.055 38.372 38.460 -0.238 0.000 1.310 125 Y HN 0.455 nan 8.280 nan 0.000 0.569 126 P HA -0.171 nan 4.420 nan 0.000 0.222 126 P C 1.216 178.540 177.300 0.039 0.000 1.147 126 P CA 1.909 65.049 63.100 0.067 0.000 0.790 126 P CB -0.036 31.708 31.700 0.072 0.000 0.780 127 S N 0.514 116.236 115.700 0.037 0.000 2.440 127 S HA -0.148 4.310 4.470 -0.020 0.000 0.238 127 S C 1.734 176.304 174.600 -0.050 0.000 1.010 127 S CA 1.228 59.419 58.200 -0.015 0.000 0.972 127 S CB -1.527 61.646 63.200 -0.044 0.000 0.774 127 S HN 0.387 nan 8.310 nan 0.000 0.501 128 I N -1.297 119.227 120.570 -0.076 0.000 3.941 128 I HA 0.432 4.589 4.170 -0.020 0.000 0.335 128 I C 0.386 176.477 176.117 -0.042 0.000 1.402 128 I CA -0.561 60.677 61.300 -0.102 0.000 1.112 128 I CB 0.361 38.195 38.000 -0.276 0.000 1.043 128 I HN 0.077 nan 8.210 nan 0.000 0.395 129 S N 2.276 117.968 115.700 -0.013 0.000 2.528 129 S HA 0.665 5.123 4.470 -0.020 0.000 0.277 129 S C 0.638 175.234 174.600 -0.008 0.000 1.297 129 S CA -0.342 57.863 58.200 0.008 0.000 1.052 129 S CB 0.386 63.599 63.200 0.022 0.000 0.917 129 S HN 0.535 nan 8.310 nan 0.000 0.492 130 A N 4.162 126.973 122.820 -0.015 0.000 2.477 130 A HA 0.488 4.796 4.320 -0.020 0.000 0.246 130 A C 1.154 178.719 177.584 -0.031 0.000 1.078 130 A CA 0.252 52.266 52.037 -0.039 0.000 0.770 130 A CB -0.408 18.550 19.000 -0.070 0.000 1.011 130 A HN 1.687 nan 8.150 nan 0.000 0.494 131 S N 0.777 116.457 115.700 -0.035 0.000 3.358 131 S HA -0.197 4.261 4.470 -0.020 0.000 0.309 131 S C 1.401 175.989 174.600 -0.021 0.000 1.247 131 S CA 1.722 59.903 58.200 -0.032 0.000 0.961 131 S CB -1.980 61.194 63.200 -0.043 0.000 1.074 131 S HN 2.762 nan 8.310 nan 0.000 0.625 132 G N 0.428 109.221 108.800 -0.012 0.000 2.296 132 G HA2 -0.072 3.876 3.960 -0.020 0.000 0.282 132 G HA3 -0.072 3.876 3.960 -0.020 0.000 0.282 132 G C 0.237 175.138 174.900 0.002 0.000 1.014 132 G CA 0.538 45.638 45.100 -0.000 0.000 0.812 132 G HN 1.960 nan 8.290 nan 0.000 0.508 133 A N -0.159 122.657 122.820 -0.008 0.000 2.462 133 A HA 0.598 4.906 4.320 -0.020 0.000 0.243 133 A C 0.981 178.572 177.584 0.012 0.000 1.076 133 A CA 0.980 53.006 52.037 -0.018 0.000 0.773 133 A CB 0.324 19.308 19.000 -0.028 0.000 1.010 133 A HN 0.804 nan 8.150 nan 0.000 0.493 134 T N 4.933 119.500 114.554 0.022 0.000 2.851 134 T HA 0.389 4.727 4.350 -0.020 0.000 0.298 134 T C -2.305 172.424 174.700 0.049 0.000 0.977 134 T CA -0.318 61.810 62.100 0.046 0.000 1.126 134 T CB 0.477 69.383 68.868 0.063 0.000 0.916 134 T HN 0.481 nan 8.240 nan 0.000 0.529 135 P HA 0.140 nan 4.420 nan 0.000 0.272 135 P C 1.042 178.382 177.300 0.066 0.000 1.223 135 P CA -0.445 62.693 63.100 0.064 0.000 0.784 135 P CB 0.503 32.254 31.700 0.084 0.000 0.923 136 V N 1.611 121.554 119.914 0.048 0.000 2.252 136 V HA -0.283 3.825 4.120 -0.020 0.000 0.249 136 V C 1.945 178.081 176.094 0.070 0.000 1.056 136 V CA 1.970 64.293 62.300 0.039 0.000 1.022 136 V CB -1.244 30.582 31.823 0.004 0.000 0.641 136 V HN 0.553 nan 8.190 nan 0.000 0.445 137 F N 1.343 121.290 119.950 -0.005 0.000 2.095 137 F HA -0.230 4.284 4.527 -0.021 0.000 0.298 137 F C 2.075 177.948 175.800 0.123 0.000 1.104 137 F CA 2.273 60.294 58.000 0.035 0.000 1.232 137 F CB -0.466 38.517 39.000 -0.028 0.000 0.987 137 F HN 0.266 nan 8.300 nan 0.000 0.475 138 D N -0.407 120.071 120.400 0.130 0.000 2.104 138 D HA -0.226 4.402 4.640 -0.020 0.000 0.194 138 D C 1.953 178.288 176.300 0.059 0.000 0.994 138 D CA 1.556 55.628 54.000 0.119 0.000 0.830 138 D CB -0.383 40.495 40.800 0.130 0.000 0.959 138 D HN 0.215 nan 8.370 nan 0.000 0.452 139 N N -0.287 118.429 118.700 0.028 0.000 2.120 139 N HA -0.063 4.665 4.740 -0.020 0.000 0.188 139 N C 1.626 177.115 175.510 -0.035 0.000 1.024 139 N CA 0.670 53.727 53.050 0.013 0.000 0.852 139 N CB -0.082 38.425 38.487 0.033 0.000 1.003 139 N HN 0.138 nan 8.380 nan 0.000 0.424 140 L N -0.884 120.283 121.223 -0.093 0.000 1.994 140 L HA -0.180 4.147 4.340 -0.020 0.000 0.208 140 L C 2.345 179.149 176.870 -0.110 0.000 1.071 140 L CA 1.232 55.992 54.840 -0.134 0.000 0.745 140 L CB -0.598 41.323 42.059 -0.230 0.000 0.892 140 L HN 0.443 nan 8.230 nan 0.000 0.431 141 W N 1.648 122.720 121.300 -0.380 0.000 2.379 141 W HA -0.207 4.441 4.660 -0.021 0.000 0.307 141 W C 1.982 178.431 176.519 -0.115 0.000 1.200 141 W CA 1.430 58.623 57.345 -0.254 0.000 1.297 141 W CB -0.068 29.242 29.460 -0.250 0.000 1.140 141 W HN 0.268 nan 8.180 nan 0.000 0.507 142 D N 0.207 120.534 120.400 -0.123 0.000 2.182 142 D HA -0.216 4.412 4.640 -0.020 0.000 0.201 142 D C 1.892 178.057 176.300 -0.224 0.000 0.986 142 D CA 1.525 55.415 54.000 -0.183 0.000 0.847 142 D CB -0.583 40.192 40.800 -0.041 0.000 0.942 142 D HN 0.437 nan 8.370 nan 0.000 0.467 143 Q N -0.695 118.998 119.800 -0.178 0.000 2.403 143 Q HA 0.231 4.559 4.340 -0.020 0.000 0.203 143 Q C 1.003 176.889 176.000 -0.189 0.000 0.932 143 Q CA 0.368 56.083 55.803 -0.146 0.000 0.945 143 Q CB 0.710 29.400 28.738 -0.080 0.000 1.045 143 Q HN 0.265 nan 8.270 nan 0.000 0.511 144 G N 1.203 109.816 108.800 -0.311 0.000 2.179 144 G HA2 -0.277 3.671 3.960 -0.020 0.000 0.257 144 G HA3 -0.277 3.671 3.960 -0.020 0.000 0.257 144 G C 0.533 175.350 174.900 -0.137 0.000 1.010 144 G CA 0.289 45.212 45.100 -0.294 0.000 0.736 144 G HN 0.385 nan 8.290 nan 0.000 0.513 145 L N -0.637 120.536 121.223 -0.084 0.000 2.509 145 L HA 0.282 4.610 4.340 -0.020 0.000 0.222 145 L C 1.346 178.242 176.870 0.043 0.000 1.123 145 L CA 0.738 55.567 54.840 -0.018 0.000 0.856 145 L CB -0.029 42.020 42.059 -0.017 0.000 0.985 145 L HN 0.408 nan 8.230 nan 0.000 0.456 146 V N -6.087 113.887 119.914 0.099 0.000 2.864 146 V HA 0.429 4.537 4.120 -0.020 0.000 0.314 146 V C 0.996 177.260 176.094 0.283 0.000 1.073 146 V CA -0.655 61.766 62.300 0.201 0.000 0.956 146 V CB 1.679 33.648 31.823 0.244 0.000 1.023 146 V HN -0.026 nan 8.190 nan 0.000 0.435 147 S N 1.656 117.508 115.700 0.254 0.000 2.370 147 S HA -0.066 4.392 4.470 -0.020 0.000 0.226 147 S C 0.591 175.403 174.600 0.354 0.000 1.033 147 S CA 1.478 59.828 58.200 0.249 0.000 1.011 147 S CB -0.377 62.932 63.200 0.182 0.000 0.852 147 S HN 0.884 nan 8.310 nan 0.000 0.457 148 Q N -0.358 119.658 119.800 0.361 0.000 2.501 148 Q HA 0.292 4.619 4.340 -0.020 0.000 0.288 148 Q C -1.646 174.343 176.000 -0.018 0.000 1.051 148 Q CA -0.698 55.231 55.803 0.211 0.000 0.788 148 Q CB 1.285 30.097 28.738 0.124 0.000 1.469 148 Q HN -0.084 nan 8.270 nan 0.000 0.416 149 D N 1.910 121.948 120.400 -0.604 0.000 2.934 149 D HA 0.295 4.923 4.640 -0.020 0.000 0.237 149 D C -1.231 175.041 176.300 -0.048 0.000 1.158 149 D CA 0.074 53.658 54.000 -0.693 0.000 0.971 149 D CB -0.644 39.259 40.800 -1.495 0.000 1.123 149 D HN 0.332 nan 8.370 nan 0.000 0.467 150 L N -1.338 119.992 121.223 0.179 0.000 2.671 150 L HA 0.771 5.098 4.340 -0.020 0.000 0.259 150 L C -1.232 175.661 176.870 0.038 0.000 1.021 150 L CA -1.377 53.456 54.840 -0.012 0.000 0.871 150 L CB 1.108 43.143 42.059 -0.039 0.000 1.472 150 L HN -0.119 nan 8.230 nan 0.000 0.410 151 F N -1.351 118.468 119.950 -0.219 0.000 2.662 151 F HA 0.973 5.488 4.527 -0.020 0.000 0.312 151 F C -0.530 175.228 175.800 -0.070 0.000 1.113 151 F CA -0.372 57.523 58.000 -0.175 0.000 0.951 151 F CB 1.554 40.330 39.000 -0.374 0.000 1.344 151 F HN 0.864 nan 8.300 nan 0.000 0.462 152 S N 0.635 116.401 115.700 0.110 0.000 2.569 152 S HA 0.893 5.351 4.470 -0.020 0.000 0.280 152 S C -1.869 172.784 174.600 0.088 0.000 1.111 152 S CA -0.747 57.417 58.200 -0.060 0.000 0.887 152 S CB 1.752 64.853 63.200 -0.166 0.000 1.095 152 S HN 0.887 nan 8.310 nan 0.000 0.476 153 V N 2.639 122.535 119.914 -0.031 0.000 2.531 153 V HA 0.542 4.650 4.120 -0.020 0.000 0.301 153 V C -1.578 174.536 176.094 0.035 0.000 1.034 153 V CA -0.649 61.663 62.300 0.020 0.000 0.865 153 V CB 1.378 33.235 31.823 0.057 0.000 0.995 153 V HN 0.939 nan 8.190 nan 0.000 0.424 154 Y N 5.845 126.062 120.300 -0.137 0.000 2.326 154 Y HA 0.736 5.274 4.550 -0.020 0.000 0.331 154 Y C -1.100 174.611 175.900 -0.314 0.000 0.962 154 Y CA -0.906 57.056 58.100 -0.231 0.000 1.167 154 Y CB 1.416 39.406 38.460 -0.784 0.000 1.148 154 Y HN 0.546 nan 8.280 nan 0.000 0.463 155 L N 6.667 127.323 121.223 -0.945 0.000 2.305 155 L HA 0.513 4.841 4.340 -0.020 0.000 0.284 155 L C 0.130 176.439 176.870 -0.935 0.000 1.013 155 L CA -0.950 53.381 54.840 -0.848 0.000 0.819 155 L CB 1.754 43.382 42.059 -0.718 0.000 1.227 155 L HN 0.758 nan 8.230 nan 0.000 0.417 156 S N 1.586 116.898 115.700 -0.647 0.000 2.617 156 S HA 0.427 4.884 4.470 -0.020 0.000 0.269 156 S C 0.127 174.629 174.600 -0.164 0.000 1.292 156 S CA -0.709 57.265 58.200 -0.376 0.000 1.010 156 S CB 1.487 64.639 63.200 -0.080 0.000 0.944 156 S HN 0.508 nan 8.310 nan 0.000 0.536 157 S N 1.826 117.467 115.700 -0.099 0.000 2.562 157 S HA 0.397 4.854 4.470 -0.020 0.000 0.275 157 S C 0.201 174.792 174.600 -0.016 0.000 1.281 157 S CA -0.316 57.852 58.200 -0.054 0.000 1.045 157 S CB 0.002 63.167 63.200 -0.058 0.000 0.962 157 S HN 0.914 nan 8.310 nan 0.000 0.503 158 N N 2.858 121.550 118.700 -0.013 0.000 2.699 158 N HA -0.176 4.552 4.740 -0.020 0.000 0.257 158 N C -0.053 175.457 175.510 0.000 0.000 1.077 158 N CA 0.965 54.010 53.050 -0.009 0.000 0.702 158 N CB -1.305 37.176 38.487 -0.011 0.000 0.886 158 N HN 0.905 nan 8.380 nan 0.000 0.549 159 D N -1.578 118.825 120.400 0.004 0.000 2.782 159 D HA -0.275 4.353 4.640 -0.020 0.000 0.231 159 D C -0.425 175.888 176.300 0.022 0.000 1.163 159 D CA 1.297 55.295 54.000 -0.004 0.000 0.680 159 D CB -0.887 39.892 40.800 -0.035 0.000 1.062 159 D HN 0.552 nan 8.370 nan 0.000 0.425 160 D N 0.080 120.501 120.400 0.036 0.000 2.398 160 D HA 0.314 4.942 4.640 -0.020 0.000 0.247 160 D C 0.488 176.826 176.300 0.063 0.000 1.227 160 D CA 0.284 54.308 54.000 0.040 0.000 0.980 160 D CB 1.287 42.109 40.800 0.036 0.000 1.106 160 D HN 0.398 nan 8.370 nan 0.000 0.493 161 S N -1.763 113.974 115.700 0.062 0.000 2.565 161 S HA 0.657 5.115 4.470 -0.020 0.000 0.290 161 S C 0.759 175.410 174.600 0.085 0.000 1.150 161 S CA 0.073 58.317 58.200 0.072 0.000 1.058 161 S CB 1.948 65.185 63.200 0.061 0.000 1.032 161 S HN 0.675 nan 8.310 nan 0.000 0.510 162 G N 0.884 109.742 108.800 0.097 0.000 2.485 162 G HA2 -0.099 3.849 3.960 -0.020 0.000 0.181 162 G HA3 -0.099 3.849 3.960 -0.020 0.000 0.181 162 G C -0.001 175.002 174.900 0.171 0.000 0.999 162 G CA -0.144 45.049 45.100 0.154 0.000 0.721 162 G HN 0.904 nan 8.290 nan 0.000 0.486 163 S N 0.385 116.112 115.700 0.045 0.000 2.564 163 S HA 0.627 5.084 4.470 -0.020 0.000 0.278 163 S C 0.339 174.910 174.600 -0.049 0.000 1.333 163 S CA 0.396 58.541 58.200 -0.092 0.000 1.048 163 S CB 1.832 64.899 63.200 -0.221 0.000 0.900 163 S HN 1.615 nan 8.310 nan 0.000 0.505 164 V N -0.160 119.703 119.914 -0.084 0.000 3.178 164 V HA 0.711 4.818 4.120 -0.020 0.000 0.302 164 V C -0.922 175.104 176.094 -0.113 0.000 1.262 164 V CA -1.029 61.223 62.300 -0.081 0.000 1.030 164 V CB 1.662 33.495 31.823 0.017 0.000 1.074 164 V HN 0.487 nan 8.190 nan 0.000 0.438 165 V N 3.166 122.979 119.914 -0.168 0.000 2.370 165 V HA 0.469 4.577 4.120 -0.020 0.000 0.283 165 V C -0.159 175.924 176.094 -0.017 0.000 1.023 165 V CA -0.409 61.799 62.300 -0.154 0.000 0.857 165 V CB 1.428 33.042 31.823 -0.348 0.000 0.985 165 V HN 0.821 nan 8.190 nan 0.000 0.443 166 L N 6.465 127.753 121.223 0.109 0.000 2.277 166 L HA 0.513 4.841 4.340 -0.020 0.000 0.284 166 L C -0.678 176.324 176.870 0.220 0.000 1.028 166 L CA -0.466 54.484 54.840 0.183 0.000 0.835 166 L CB 0.972 43.197 42.059 0.278 0.000 1.215 166 L HN 0.541 nan 8.230 nan 0.000 0.425 167 L N 5.159 126.511 121.223 0.215 0.000 2.281 167 L HA 0.354 4.682 4.340 -0.020 0.000 0.285 167 L C 1.258 178.339 176.870 0.353 0.000 1.074 167 L CA 0.125 55.164 54.840 0.331 0.000 0.817 167 L CB 1.075 43.303 42.059 0.282 0.000 1.168 167 L HN 0.915 nan 8.230 nan 0.000 0.434 168 G N 2.497 111.561 108.800 0.439 0.000 2.162 168 G HA2 -0.179 3.768 3.960 -0.020 0.000 0.260 168 G HA3 -0.179 3.768 3.960 -0.020 0.000 0.260 168 G C 0.274 175.323 174.900 0.248 0.000 0.976 168 G CA -0.006 45.309 45.100 0.358 0.000 0.655 168 G HN 1.055 nan 8.290 nan 0.000 0.533 169 G N -1.202 107.735 108.800 0.229 0.000 2.695 169 G HA2 0.718 4.666 3.960 -0.020 0.000 0.290 169 G HA3 0.718 4.666 3.960 -0.020 0.000 0.290 169 G C -1.121 173.914 174.900 0.224 0.000 1.410 169 G CA -0.862 44.357 45.100 0.199 0.000 0.844 169 G HN 0.677 nan 8.290 nan 0.000 0.478 170 I N 0.717 121.429 120.570 0.236 0.000 2.498 170 I HA 0.359 4.516 4.170 -0.020 0.000 0.290 170 I C -1.484 174.804 176.117 0.286 0.000 1.032 170 I CA -0.690 60.808 61.300 0.330 0.000 1.073 170 I CB 2.452 40.644 38.000 0.320 0.000 1.251 170 I HN 0.314 nan 8.210 nan 0.000 0.426 171 D N 3.435 124.017 120.400 0.303 0.000 2.505 171 D HA 0.179 4.806 4.640 -0.020 0.000 0.250 171 D C 0.940 177.142 176.300 -0.164 0.000 1.164 171 D CA -0.413 53.571 54.000 -0.027 0.000 0.870 171 D CB 1.771 42.425 40.800 -0.243 0.000 1.160 171 D HN 0.536 nan 8.370 nan 0.000 0.549 172 S N 1.738 117.318 115.700 -0.199 0.000 2.469 172 S HA -0.138 4.320 4.470 -0.020 0.000 0.238 172 S C 1.672 175.863 174.600 -0.683 0.000 0.998 172 S CA 0.772 58.642 58.200 -0.550 0.000 0.957 172 S CB -0.032 62.945 63.200 -0.373 0.000 0.764 172 S HN 0.274 nan 8.310 nan 0.000 0.514 173 S N 0.498 115.828 115.700 -0.617 0.000 2.447 173 S HA 0.068 4.526 4.470 -0.020 0.000 0.233 173 S C 0.675 174.895 174.600 -0.633 0.000 1.006 173 S CA 0.669 58.493 58.200 -0.625 0.000 0.957 173 S CB -0.383 62.375 63.200 -0.737 0.000 0.773 173 S HN 0.714 nan 8.310 nan 0.000 0.507 174 Y N 0.438 120.376 120.300 -0.603 0.000 2.457 174 Y HA 0.298 4.836 4.550 -0.020 0.000 0.263 174 Y C 0.204 175.876 175.900 -0.380 0.000 1.164 174 Y CA -1.334 56.338 58.100 -0.714 0.000 1.274 174 Y CB -0.540 37.245 38.460 -1.125 0.000 1.097 174 Y HN 0.381 nan 8.280 nan 0.000 0.523 175 Y N -2.836 117.316 120.300 -0.246 0.000 2.655 175 Y HA 0.728 5.266 4.550 -0.020 0.000 0.336 175 Y C -0.456 175.404 175.900 -0.067 0.000 1.154 175 Y CA -1.920 56.124 58.100 -0.094 0.000 1.055 175 Y CB 0.954 39.409 38.460 -0.009 0.000 1.295 175 Y HN -0.174 nan 8.280 nan 0.000 0.465 176 T N -0.963 113.694 114.554 0.172 0.000 2.924 176 T HA 0.793 5.131 4.350 -0.020 0.000 0.291 176 T C 0.334 175.147 174.700 0.189 0.000 1.045 176 T CA -0.198 61.935 62.100 0.054 0.000 1.015 176 T CB 1.084 69.958 68.868 0.010 0.000 1.103 176 T HN 2.349 nan 8.240 nan 0.000 0.496 177 G N 1.648 110.514 108.800 0.110 0.000 2.593 177 G HA2 -0.007 3.941 3.960 -0.020 0.000 0.237 177 G HA3 -0.007 3.941 3.960 -0.020 0.000 0.237 177 G C -0.272 174.764 174.900 0.226 0.000 1.312 177 G CA -0.291 44.889 45.100 0.132 0.000 0.896 177 G HN 1.361 nan 8.290 nan 0.000 0.574 178 S N -0.687 115.109 115.700 0.161 0.000 2.638 178 S HA 0.713 5.171 4.470 -0.020 0.000 0.298 178 S C 0.336 174.950 174.600 0.024 0.000 1.111 178 S CA -0.680 57.615 58.200 0.157 0.000 1.027 178 S CB 1.672 64.933 63.200 0.101 0.000 1.064 178 S HN 0.677 nan 8.310 nan 0.000 0.525 179 L N 2.511 123.678 121.223 -0.094 0.000 2.349 179 L HA 0.333 4.661 4.340 -0.020 0.000 0.275 179 L C 0.198 176.831 176.870 -0.394 0.000 1.115 179 L CA -0.476 54.115 54.840 -0.414 0.000 0.820 179 L CB 0.488 42.188 42.059 -0.599 0.000 1.135 179 L HN 0.597 nan 8.230 nan 0.000 0.445 180 N N 2.784 121.249 118.700 -0.393 0.000 2.426 180 N HA 0.255 4.983 4.740 -0.020 0.000 0.275 180 N C -1.612 173.635 175.510 -0.439 0.000 1.019 180 N CA -0.359 52.561 53.050 -0.216 0.000 0.941 180 N CB 0.701 39.181 38.487 -0.011 0.000 1.123 180 N HN 0.222 nan 8.380 nan 0.000 0.486 181 W N 3.037 124.323 121.300 -0.023 0.000 2.433 181 W HA 0.567 5.214 4.660 -0.021 0.000 0.315 181 W C -0.661 175.842 176.519 -0.028 0.000 1.087 181 W CA -0.755 56.563 57.345 -0.045 0.000 1.205 181 W CB 1.334 30.773 29.460 -0.035 0.000 1.288 181 W HN 0.059 nan 8.180 nan 0.000 0.504 182 V N 4.856 124.874 119.914 0.173 0.000 2.588 182 V HA 0.422 4.530 4.120 -0.020 0.000 0.304 182 V C -2.098 174.075 176.094 0.132 0.000 1.042 182 V CA -2.558 59.802 62.300 0.101 0.000 0.877 182 V CB 1.784 33.606 31.823 -0.001 0.000 0.996 182 V HN 0.284 nan 8.190 nan 0.000 0.425 183 P HA 0.182 nan 4.420 nan 0.000 0.271 183 P C -0.357 176.997 177.300 0.090 0.000 1.218 183 P CA -0.135 63.024 63.100 0.098 0.000 0.780 183 P CB 0.728 32.465 31.700 0.061 0.000 0.901 184 V N 2.656 122.631 119.914 0.101 0.000 2.508 184 V HA -0.003 4.104 4.120 -0.020 0.000 0.281 184 V C 1.791 177.890 176.094 0.008 0.000 1.041 184 V CA 0.871 63.216 62.300 0.075 0.000 1.016 184 V CB 0.405 32.259 31.823 0.052 0.000 0.984 184 V HN 0.749 nan 8.190 nan 0.000 0.478 185 S N 4.324 120.026 115.700 0.003 0.000 2.425 185 S HA 0.110 4.568 4.470 -0.020 0.000 0.225 185 S C 0.389 174.964 174.600 -0.042 0.000 1.024 185 S CA 0.063 58.257 58.200 -0.010 0.000 0.951 185 S CB 0.302 63.506 63.200 0.006 0.000 0.796 185 S HN 0.438 nan 8.310 nan 0.000 0.498 186 V N 1.942 121.812 119.914 -0.072 0.000 2.612 186 V HA 0.378 4.485 4.120 -0.020 0.000 0.301 186 V C -1.111 174.838 176.094 -0.241 0.000 1.059 186 V CA -0.811 61.423 62.300 -0.110 0.000 0.886 186 V CB 1.856 33.648 31.823 -0.051 0.000 1.007 186 V HN 0.308 nan 8.190 nan 0.000 0.426 187 E N 2.732 122.708 120.200 -0.373 0.000 2.223 187 E HA 0.590 4.928 4.350 -0.020 0.000 0.282 187 E C 0.787 176.971 176.600 -0.692 0.000 1.046 187 E CA 0.684 56.596 56.400 -0.814 0.000 0.857 187 E CB 1.475 30.666 29.700 -0.850 0.000 1.055 187 E HN 0.941 nan 8.360 nan 0.000 0.409 188 G N 2.982 111.329 108.800 -0.755 0.000 4.329 188 G HA2 -0.083 3.865 3.960 -0.020 0.000 0.132 188 G HA3 -0.083 3.865 3.960 -0.020 0.000 0.132 188 G C -0.813 173.816 174.900 -0.452 0.000 1.654 188 G CA -0.463 44.364 45.100 -0.455 0.000 0.966 188 G HN 0.406 nan 8.290 nan 0.000 0.310 189 Y N -0.530 119.700 120.300 -0.117 0.000 2.545 189 Y HA 0.620 5.157 4.550 -0.023 0.000 0.324 189 Y C -0.444 175.423 175.900 -0.056 0.000 1.220 189 Y CA -0.787 57.324 58.100 0.018 0.000 1.290 189 Y CB 0.952 39.460 38.460 0.080 0.000 1.355 189 Y HN 0.217 nan 8.280 nan 0.000 0.516 190 W N 2.181 123.699 121.300 0.363 0.000 2.072 190 W HA 0.351 4.998 4.660 -0.022 0.000 0.413 190 W C -0.279 176.360 176.519 0.200 0.000 0.865 190 W CA -0.229 57.307 57.345 0.318 0.000 1.579 190 W CB 0.077 29.788 29.460 0.418 0.000 1.720 190 W HN 0.231 nan 8.180 nan 0.000 0.301 191 Q N 4.336 124.288 119.800 0.254 0.000 2.307 191 Q HA 0.607 4.935 4.340 -0.020 0.000 0.262 191 Q C -0.273 175.785 176.000 0.096 0.000 0.961 191 Q CA -0.542 55.348 55.803 0.145 0.000 0.882 191 Q CB 1.063 29.860 28.738 0.099 0.000 1.264 191 Q HN 0.595 nan 8.270 nan 0.000 0.446 192 I N -0.747 119.862 120.570 0.064 0.000 3.239 192 I HA 0.627 4.785 4.170 -0.020 0.000 0.314 192 I C -0.753 175.371 176.117 0.012 0.000 1.126 192 I CA -1.035 60.284 61.300 0.031 0.000 0.973 192 I CB 2.496 40.497 38.000 0.002 0.000 1.252 192 I HN 0.299 nan 8.210 nan 0.000 0.463 193 T N 3.615 118.173 114.554 0.006 0.000 2.799 193 T HA 0.555 4.892 4.350 -0.020 0.000 0.286 193 T C -0.447 174.248 174.700 -0.008 0.000 0.973 193 T CA -0.208 61.896 62.100 0.007 0.000 1.035 193 T CB 1.053 69.928 68.868 0.013 0.000 0.932 193 T HN 0.306 nan 8.240 nan 0.000 0.469 194 L N 2.971 124.192 121.223 -0.004 0.000 2.322 194 L HA 0.421 4.749 4.340 -0.020 0.000 0.279 194 L C 0.869 177.734 176.870 -0.010 0.000 1.036 194 L CA -0.036 54.795 54.840 -0.016 0.000 0.807 194 L CB 1.536 43.582 42.059 -0.021 0.000 1.226 194 L HN 0.550 nan 8.230 nan 0.000 0.433 195 D N 0.064 120.458 120.400 -0.010 0.000 2.262 195 D HA 0.123 4.751 4.640 -0.020 0.000 0.212 195 D C 0.085 176.362 176.300 -0.038 0.000 0.964 195 D CA 0.989 54.982 54.000 -0.012 0.000 0.875 195 D CB 0.512 41.313 40.800 0.001 0.000 0.996 195 D HN 0.525 nan 8.370 nan 0.000 0.497 196 S N -1.067 114.590 115.700 -0.071 0.000 2.688 196 S HA 0.455 4.912 4.470 -0.020 0.000 0.269 196 S C -1.630 172.831 174.600 -0.231 0.000 1.060 196 S CA -0.983 57.141 58.200 -0.126 0.000 0.844 196 S CB 0.605 63.751 63.200 -0.090 0.000 1.095 196 S HN -0.016 nan 8.310 nan 0.000 0.466 197 I N 1.980 122.352 120.570 -0.330 0.000 2.447 197 I HA 0.586 4.744 4.170 -0.020 0.000 0.287 197 I C -0.237 175.672 176.117 -0.346 0.000 1.023 197 I CA -0.453 60.525 61.300 -0.536 0.000 1.083 197 I CB 2.311 39.799 38.000 -0.854 0.000 1.245 197 I HN 0.970 nan 8.210 nan 0.000 0.434 198 T N 3.240 117.617 114.554 -0.296 0.000 2.916 198 T HA 0.784 5.121 4.350 -0.020 0.000 0.292 198 T C -0.689 173.910 174.700 -0.169 0.000 1.055 198 T CA -0.841 61.150 62.100 -0.182 0.000 1.009 198 T CB 2.500 71.299 68.868 -0.113 0.000 1.118 198 T HN 0.592 nan 8.240 nan 0.000 0.497 199 M N 2.345 121.874 119.600 -0.118 0.000 2.224 199 M HA 0.381 4.849 4.480 -0.020 0.000 0.281 199 M C -1.187 175.085 176.300 -0.047 0.000 1.025 199 M CA -0.029 55.220 55.300 -0.085 0.000 0.954 199 M CB 1.176 33.707 32.600 -0.115 0.000 1.639 199 M HN 0.885 nan 8.290 nan 0.000 0.461 200 D N 3.846 124.236 120.400 -0.017 0.000 2.708 200 D HA -0.171 4.457 4.640 -0.020 0.000 0.236 200 D C 0.938 177.228 176.300 -0.017 0.000 1.146 200 D CA 2.204 56.199 54.000 -0.008 0.000 0.662 200 D CB -0.807 39.988 40.800 -0.008 0.000 1.059 200 D HN 1.246 nan 8.370 nan 0.000 0.428 201 G N -0.833 107.953 108.800 -0.023 0.000 2.328 201 G HA2 -0.345 3.602 3.960 -0.020 0.000 0.256 201 G HA3 -0.345 3.602 3.960 -0.020 0.000 0.256 201 G C 0.134 175.012 174.900 -0.036 0.000 1.014 201 G CA 0.642 45.726 45.100 -0.026 0.000 0.620 201 G HN 0.460 nan 8.290 nan 0.000 0.530 202 E N 1.481 121.656 120.200 -0.042 0.000 2.283 202 E HA 0.412 4.749 4.350 -0.020 0.000 0.278 202 E C 0.009 176.568 176.600 -0.068 0.000 1.027 202 E CA -0.105 56.266 56.400 -0.048 0.000 0.843 202 E CB 0.951 30.624 29.700 -0.045 0.000 1.062 202 E HN 0.182 nan 8.360 nan 0.000 0.401 203 T N 2.892 117.408 114.554 -0.062 0.000 2.834 203 T HA 0.170 4.508 4.350 -0.020 0.000 0.298 203 T C 1.368 176.022 174.700 -0.078 0.000 0.966 203 T CA -0.032 62.021 62.100 -0.079 0.000 1.141 203 T CB -0.028 68.803 68.868 -0.062 0.000 0.905 203 T HN 0.488 nan 8.240 nan 0.000 0.535 204 I N 0.162 120.668 120.570 -0.107 0.000 4.288 204 I HA 0.739 4.897 4.170 -0.020 0.000 0.331 204 I C 0.501 176.588 176.117 -0.050 0.000 1.322 204 I CA -0.460 60.789 61.300 -0.085 0.000 1.149 204 I CB 0.349 38.281 38.000 -0.112 0.000 1.112 204 I HN 0.595 nan 8.210 nan 0.000 0.403 205 A N -0.339 122.437 122.820 -0.075 0.000 2.483 205 A HA 0.455 4.763 4.320 -0.020 0.000 0.294 205 A C 0.155 177.709 177.584 -0.049 0.000 1.077 205 A CA 0.012 52.060 52.037 0.019 0.000 0.633 205 A CB 0.355 19.452 19.000 0.162 0.000 1.318 205 A HN 0.568 nan 8.150 nan 0.000 0.455 206 c N 0.688 119.317 118.600 0.050 0.000 4.028 206 c HA -0.071 4.486 4.570 -0.020 0.000 0.300 206 c C 0.860 174.939 174.090 -0.018 0.000 1.399 206 c CA 0.876 57.214 56.329 0.016 0.000 2.051 206 c CB -2.970 39.461 42.510 -0.132 0.000 1.318 206 c HN 2.188 nan 8.230 nan 0.000 0.696 207 S N 0.148 115.848 115.700 0.001 0.000 2.531 207 S HA 0.459 4.917 4.470 -0.020 0.000 0.279 207 S C 1.373 175.973 174.600 -0.001 0.000 1.305 207 S CA 1.185 59.378 58.200 -0.011 0.000 1.058 207 S CB 1.042 64.237 63.200 -0.007 0.000 0.899 207 S HN 2.444 nan 8.310 nan 0.000 0.493 208 G N 2.753 111.549 108.800 -0.007 0.000 2.148 208 G HA2 0.148 4.096 3.960 -0.020 0.000 0.254 208 G HA3 0.148 4.096 3.960 -0.020 0.000 0.254 208 G C 1.139 176.042 174.900 0.004 0.000 0.981 208 G CA 0.221 45.321 45.100 -0.000 0.000 0.670 208 G HN 2.277 nan 8.290 nan 0.000 0.528 209 G N -2.250 106.551 108.800 0.001 0.000 2.690 209 G HA2 0.449 4.397 3.960 -0.020 0.000 0.686 209 G HA3 0.449 4.397 3.960 -0.020 0.000 0.686 209 G C 0.515 175.432 174.900 0.029 0.000 1.277 209 G CA 0.579 45.683 45.100 0.008 0.000 0.799 209 G HN 2.608 nan 8.290 nan 0.000 0.613 210 c N -0.726 117.898 118.600 0.040 0.000 3.272 210 c HA 0.904 5.462 4.570 -0.020 0.000 0.363 210 c C -0.659 173.477 174.090 0.077 0.000 1.514 210 c CA -1.058 55.319 56.329 0.081 0.000 1.185 210 c CB 1.483 44.087 42.510 0.155 0.000 1.716 210 c HN 1.140 nan 8.230 nan 0.000 0.440 211 Q N 0.796 120.657 119.800 0.102 0.000 2.257 211 Q HA 0.798 5.125 4.340 -0.020 0.000 0.262 211 Q C -0.270 175.796 176.000 0.111 0.000 0.997 211 Q CA 0.026 55.876 55.803 0.078 0.000 0.873 211 Q CB 1.996 30.766 28.738 0.055 0.000 1.312 211 Q HN 1.282 nan 8.270 nan 0.000 0.450 212 A N 1.879 124.737 122.820 0.064 0.000 2.486 212 A HA 0.761 5.069 4.320 -0.020 0.000 0.300 212 A C -1.051 176.552 177.584 0.031 0.000 1.048 212 A CA -0.595 51.474 52.037 0.054 0.000 0.696 212 A CB 1.157 20.142 19.000 -0.025 0.000 1.278 212 A HN 0.642 nan 8.150 nan 0.000 0.405 213 I N 1.729 122.315 120.570 0.026 0.000 2.433 213 I HA 0.367 4.525 4.170 -0.020 0.000 0.292 213 I C -0.652 175.510 176.117 0.075 0.000 1.001 213 I CA -0.975 60.366 61.300 0.067 0.000 1.119 213 I CB 2.133 40.135 38.000 0.003 0.000 1.289 213 I HN 0.343 nan 8.210 nan 0.000 0.438 214 V N 4.846 124.867 119.914 0.179 0.000 2.368 214 V HA 0.235 4.343 4.120 -0.020 0.000 0.266 214 V C -0.420 175.817 176.094 0.237 0.000 1.045 214 V CA -0.143 62.261 62.300 0.173 0.000 0.899 214 V CB 0.992 32.936 31.823 0.202 0.000 1.006 214 V HN 0.596 nan 8.190 nan 0.000 0.470 215 D N 3.346 123.832 120.400 0.142 0.000 2.469 215 D HA 0.221 4.849 4.640 -0.020 0.000 0.251 215 D C 1.154 177.506 176.300 0.085 0.000 1.173 215 D CA -0.192 53.883 54.000 0.126 0.000 0.882 215 D CB 2.077 42.927 40.800 0.083 0.000 1.129 215 D HN 0.608 nan 8.370 nan 0.000 0.549 216 T N -0.180 114.417 114.554 0.072 0.000 3.072 216 T HA 0.047 4.385 4.350 -0.020 0.000 0.266 216 T C 1.705 176.425 174.700 0.034 0.000 1.127 216 T CA 0.590 62.710 62.100 0.032 0.000 1.107 216 T CB 0.051 68.910 68.868 -0.016 0.000 0.910 216 T HN 0.311 nan 8.240 nan 0.000 0.513 217 G N 0.261 109.097 108.800 0.061 0.000 2.848 217 G HA2 0.250 4.198 3.960 -0.020 0.000 0.208 217 G HA3 0.250 4.198 3.960 -0.020 0.000 0.208 217 G C 0.375 175.303 174.900 0.046 0.000 1.152 217 G CA 0.399 45.554 45.100 0.093 0.000 0.789 217 G HN 0.613 nan 8.290 nan 0.000 0.531 218 T N -1.359 113.207 114.554 0.021 0.000 2.909 218 T HA 0.413 4.751 4.350 -0.020 0.000 0.299 218 T C 1.291 176.006 174.700 0.026 0.000 1.073 218 T CA 0.206 62.310 62.100 0.006 0.000 0.999 218 T CB 1.673 70.525 68.868 -0.027 0.000 1.098 218 T HN 0.059 nan 8.240 nan 0.000 0.477 219 S N 3.436 119.152 115.700 0.026 0.000 2.528 219 S HA 0.320 4.778 4.470 -0.020 0.000 0.219 219 S C 0.700 175.310 174.600 0.017 0.000 0.985 219 S CA -0.216 58.005 58.200 0.035 0.000 0.914 219 S CB -0.357 62.856 63.200 0.022 0.000 0.776 219 S HN 0.583 nan 8.310 nan 0.000 0.526 220 L N 1.280 122.505 121.223 0.004 0.000 2.387 220 L HA 0.525 4.853 4.340 -0.020 0.000 0.266 220 L C -0.290 176.568 176.870 -0.019 0.000 1.059 220 L CA -1.052 53.776 54.840 -0.020 0.000 0.801 220 L CB 1.080 43.138 42.059 -0.002 0.000 1.223 220 L HN 0.119 nan 8.230 nan 0.000 0.456 221 L N 1.217 122.398 121.223 -0.070 0.000 2.265 221 L HA 0.371 4.699 4.340 -0.020 0.000 0.288 221 L C -0.354 176.603 176.870 0.144 0.000 1.058 221 L CA -0.152 54.713 54.840 0.041 0.000 0.809 221 L CB 1.073 43.134 42.059 0.003 0.000 1.179 221 L HN 0.600 nan 8.230 nan 0.000 0.429 222 T N 1.947 116.575 114.554 0.124 0.000 2.807 222 T HA 0.747 5.085 4.350 -0.020 0.000 0.279 222 T C 0.248 174.812 174.700 -0.227 0.000 0.993 222 T CA -0.591 61.504 62.100 -0.009 0.000 0.970 222 T CB 2.048 70.885 68.868 -0.052 0.000 0.950 222 T HN 0.811 nan 8.240 nan 0.000 0.441 223 G N 2.264 110.756 108.800 -0.512 0.000 2.749 223 G HA2 0.704 4.652 3.960 -0.020 0.000 0.300 223 G HA3 0.704 4.652 3.960 -0.020 0.000 0.300 223 G C -3.267 171.201 174.900 -0.719 0.000 1.352 223 G CA -1.544 42.785 45.100 -1.285 0.000 0.789 223 G HN 0.422 nan 8.290 nan 0.000 0.509 224 P HA 0.156 nan 4.420 nan 0.000 0.265 224 P C 1.089 178.255 177.300 -0.223 0.000 1.193 224 P CA 0.156 63.053 63.100 -0.339 0.000 0.765 224 P CB 0.698 32.257 31.700 -0.234 0.000 0.823 225 T N 1.635 116.103 114.554 -0.144 0.000 2.620 225 T HA -0.237 4.101 4.350 -0.020 0.000 0.267 225 T C 1.871 176.532 174.700 -0.065 0.000 1.044 225 T CA 2.590 64.637 62.100 -0.089 0.000 1.161 225 T CB -0.838 67.992 68.868 -0.063 0.000 0.862 225 T HN 0.653 nan 8.240 nan 0.000 0.438 226 S N 1.907 117.574 115.700 -0.054 0.000 2.368 226 S HA -0.048 4.410 4.470 -0.020 0.000 0.225 226 S C 2.412 176.999 174.600 -0.022 0.000 1.030 226 S CA 1.226 59.407 58.200 -0.032 0.000 0.999 226 S CB -0.695 62.492 63.200 -0.021 0.000 0.844 226 S HN 0.544 nan 8.310 nan 0.000 0.459 227 A N 2.090 124.904 122.820 -0.011 0.000 1.898 227 A HA 0.106 4.414 4.320 -0.020 0.000 0.216 227 A C 2.293 179.886 177.584 0.015 0.000 1.181 227 A CA 1.412 53.478 52.037 0.047 0.000 0.620 227 A CB -0.701 18.410 19.000 0.185 0.000 0.819 227 A HN 0.539 nan 8.150 nan 0.000 0.442 228 I N 0.064 120.618 120.570 -0.027 0.000 2.226 228 I HA -0.239 3.919 4.170 -0.020 0.000 0.245 228 I C 2.922 179.004 176.117 -0.058 0.000 1.100 228 I CA 1.473 62.748 61.300 -0.040 0.000 1.374 228 I CB -1.579 36.406 38.000 -0.026 0.000 1.057 228 I HN 0.368 nan 8.210 nan 0.000 0.413 229 A N 1.182 123.978 122.820 -0.041 0.000 1.933 229 A HA -0.206 4.101 4.320 -0.020 0.000 0.218 229 A C 2.118 179.674 177.584 -0.047 0.000 1.175 229 A CA 1.630 53.647 52.037 -0.034 0.000 0.628 229 A CB -0.669 18.317 19.000 -0.024 0.000 0.814 229 A HN 0.437 nan 8.150 nan 0.000 0.444 230 N N 0.230 118.899 118.700 -0.052 0.000 2.043 230 N HA -0.149 4.578 4.740 -0.020 0.000 0.193 230 N C 1.746 177.198 175.510 -0.096 0.000 1.037 230 N CA 1.853 54.868 53.050 -0.059 0.000 0.851 230 N CB -0.435 38.024 38.487 -0.047 0.000 1.027 230 N HN 0.574 nan 8.380 nan 0.000 0.422 231 I N 1.663 122.139 120.570 -0.157 0.000 2.179 231 I HA -0.243 3.915 4.170 -0.020 0.000 0.242 231 I C 2.382 178.366 176.117 -0.220 0.000 1.088 231 I CA 0.937 62.070 61.300 -0.278 0.000 1.357 231 I CB -0.253 37.409 38.000 -0.563 0.000 1.051 231 I HN 0.090 nan 8.210 nan 0.000 0.409 232 Q N 0.183 119.893 119.800 -0.151 0.000 2.135 232 Q HA -0.216 4.112 4.340 -0.020 0.000 0.204 232 Q C 2.427 178.412 176.000 -0.025 0.000 0.981 232 Q CA 2.086 57.856 55.803 -0.056 0.000 0.856 232 Q CB -0.627 28.107 28.738 -0.006 0.000 0.902 232 Q HN 0.537 nan 8.270 nan 0.000 0.425 233 S N 0.948 116.627 115.700 -0.036 0.000 2.368 233 S HA -0.140 4.318 4.470 -0.020 0.000 0.224 233 S C 1.400 175.990 174.600 -0.017 0.000 1.029 233 S CA 1.186 59.375 58.200 -0.017 0.000 0.988 233 S CB -0.046 63.143 63.200 -0.019 0.000 0.838 233 S HN 0.166 nan 8.310 nan 0.000 0.462 234 D N 1.620 121.996 120.400 -0.039 0.000 2.218 234 D HA -0.052 4.575 4.640 -0.020 0.000 0.204 234 D C 1.714 178.013 176.300 -0.001 0.000 0.976 234 D CA 1.462 55.444 54.000 -0.030 0.000 0.853 234 D CB -0.322 40.440 40.800 -0.062 0.000 0.939 234 D HN 0.817 nan 8.370 nan 0.000 0.481 235 I N -4.452 116.123 120.570 0.008 0.000 3.883 235 I HA 0.342 4.500 4.170 -0.020 0.000 0.326 235 I C 1.106 177.269 176.117 0.076 0.000 1.283 235 I CA 0.351 61.695 61.300 0.073 0.000 1.161 235 I CB 0.285 38.366 38.000 0.136 0.000 1.012 235 I HN -0.044 nan 8.210 nan 0.000 0.421 236 G N 1.900 110.728 108.800 0.047 0.000 2.182 236 G HA2 -0.171 3.777 3.960 -0.020 0.000 0.248 236 G HA3 -0.171 3.777 3.960 -0.020 0.000 0.248 236 G C 0.269 175.202 174.900 0.054 0.000 1.042 236 G CA 0.047 45.173 45.100 0.044 0.000 0.775 236 G HN 0.935 nan 8.290 nan 0.000 0.501 237 A N -0.172 122.684 122.820 0.059 0.000 2.340 237 A HA 0.877 5.184 4.320 -0.020 0.000 0.268 237 A C 0.702 178.316 177.584 0.050 0.000 1.100 237 A CA 0.665 52.745 52.037 0.070 0.000 0.803 237 A CB 0.877 19.934 19.000 0.095 0.000 1.043 237 A HN 2.044 nan 8.150 nan 0.000 0.488 238 S N 1.281 117.010 115.700 0.048 0.000 2.575 238 S HA 0.472 4.929 4.470 -0.020 0.000 0.278 238 S C -0.772 173.850 174.600 0.036 0.000 1.139 238 S CA -0.709 57.512 58.200 0.036 0.000 0.954 238 S CB 1.320 64.537 63.200 0.029 0.000 1.054 238 S HN 0.817 nan 8.310 nan 0.000 0.483 239 E N 2.583 122.802 120.200 0.032 0.000 2.324 239 E HA 0.142 4.479 4.350 -0.020 0.000 0.271 239 E C 0.587 177.202 176.600 0.025 0.000 1.028 239 E CA -0.233 56.185 56.400 0.030 0.000 0.890 239 E CB 0.315 30.031 29.700 0.026 0.000 1.004 239 E HN 0.800 nan 8.360 nan 0.000 0.431 240 N N 1.710 120.425 118.700 0.024 0.000 2.431 240 N HA 0.073 4.801 4.740 -0.020 0.000 0.289 240 N C 0.827 176.347 175.510 0.016 0.000 1.277 240 N CA -0.209 52.852 53.050 0.019 0.000 0.972 240 N CB 0.688 39.186 38.487 0.019 0.000 1.143 240 N HN 0.365 nan 8.380 nan 0.000 0.578 241 S N -0.927 114.781 115.700 0.013 0.000 2.383 241 S HA -0.153 4.305 4.470 -0.020 0.000 0.229 241 S C 0.323 174.929 174.600 0.010 0.000 1.030 241 S CA 0.929 59.136 58.200 0.011 0.000 1.002 241 S CB -0.613 62.592 63.200 0.009 0.000 0.829 241 S HN 0.591 nan 8.310 nan 0.000 0.467 242 D N 0.944 121.349 120.400 0.008 0.000 2.440 242 D HA 0.315 4.943 4.640 -0.020 0.000 0.269 242 D C 1.696 178.003 176.300 0.012 0.000 1.249 242 D CA 0.241 54.244 54.000 0.005 0.000 1.055 242 D CB 0.005 40.803 40.800 -0.004 0.000 1.104 242 D HN 0.261 nan 8.370 nan 0.000 0.561 243 G N -0.565 108.243 108.800 0.013 0.000 2.432 243 G HA2 -0.201 3.747 3.960 -0.020 0.000 0.219 243 G HA3 -0.201 3.747 3.960 -0.020 0.000 0.219 243 G C 0.364 175.281 174.900 0.027 0.000 1.135 243 G CA 0.330 45.443 45.100 0.022 0.000 0.767 243 G HN 0.474 nan 8.290 nan 0.000 0.550 244 E N 0.747 120.963 120.200 0.026 0.000 2.900 244 E HA -0.035 4.303 4.350 -0.020 0.000 0.259 244 E C -0.137 176.488 176.600 0.042 0.000 0.918 244 E CA 0.277 56.697 56.400 0.034 0.000 0.960 244 E CB 0.288 30.004 29.700 0.028 0.000 0.908 244 E HN 0.059 nan 8.360 nan 0.000 0.511 245 M N 3.777 123.411 119.600 0.057 0.000 2.365 245 M HA 0.123 4.591 4.480 -0.020 0.000 0.350 245 M C -0.204 176.140 176.300 0.073 0.000 1.274 245 M CA -0.704 54.637 55.300 0.069 0.000 1.252 245 M CB 0.047 32.703 32.600 0.093 0.000 1.297 245 M HN 0.356 nan 8.290 nan 0.000 0.438 246 V N 2.257 122.206 119.914 0.058 0.000 2.785 246 V HA 0.725 4.832 4.120 -0.020 0.000 0.300 246 V C -0.140 175.992 176.094 0.063 0.000 1.062 246 V CA -0.562 61.771 62.300 0.056 0.000 1.029 246 V CB 1.677 33.524 31.823 0.040 0.000 1.024 246 V HN 0.670 nan 8.190 nan 0.000 0.477 247 I N 2.081 122.690 120.570 0.065 0.000 2.730 247 I HA 0.416 4.574 4.170 -0.020 0.000 0.298 247 I C 0.205 176.352 176.117 0.050 0.000 1.089 247 I CA -0.372 60.969 61.300 0.068 0.000 1.041 247 I CB 2.570 40.629 38.000 0.098 0.000 1.235 247 I HN 0.751 nan 8.210 nan 0.000 0.423 248 S N 2.607 118.333 115.700 0.043 0.000 2.510 248 S HA 0.035 4.493 4.470 -0.020 0.000 0.279 248 S C 0.966 175.583 174.600 0.028 0.000 1.284 248 S CA -0.709 57.510 58.200 0.031 0.000 1.059 248 S CB 0.722 63.938 63.200 0.027 0.000 0.901 248 S HN 0.713 nan 8.310 nan 0.000 0.491 249 c N 2.555 121.167 118.600 0.021 0.000 2.425 249 c HA -0.075 4.483 4.570 -0.020 0.000 0.277 249 c C 2.701 176.797 174.090 0.009 0.000 1.280 249 c CA 0.589 56.926 56.329 0.013 0.000 1.744 249 c CB -1.413 41.102 42.510 0.008 0.000 1.989 249 c HN 0.902 nan 8.230 nan 0.000 0.491 250 S N 1.414 117.121 115.700 0.011 0.000 2.469 250 S HA -0.119 4.339 4.470 -0.020 0.000 0.238 250 S C 1.894 176.501 174.600 0.012 0.000 0.998 250 S CA 1.432 59.638 58.200 0.009 0.000 0.957 250 S CB -0.345 62.861 63.200 0.010 0.000 0.764 250 S HN 0.892 nan 8.310 nan 0.000 0.514 251 S N 0.614 116.325 115.700 0.018 0.000 2.575 251 S HA 0.239 4.697 4.470 -0.020 0.000 0.215 251 S C 1.494 176.107 174.600 0.022 0.000 0.966 251 S CA -0.255 57.959 58.200 0.023 0.000 0.911 251 S CB -0.526 62.694 63.200 0.033 0.000 0.780 251 S HN 0.400 nan 8.310 nan 0.000 0.514 252 I N 2.748 123.324 120.570 0.009 0.000 2.113 252 I HA -0.276 3.882 4.170 -0.020 0.000 0.242 252 I C 1.835 177.944 176.117 -0.014 0.000 1.057 252 I CA 1.892 63.185 61.300 -0.012 0.000 1.314 252 I CB -0.452 37.528 38.000 -0.033 0.000 1.022 252 I HN 0.273 nan 8.210 nan 0.000 0.408 253 D N 0.063 120.459 120.400 -0.007 0.000 2.309 253 D HA -0.123 4.505 4.640 -0.020 0.000 0.212 253 D C 2.163 178.470 176.300 0.011 0.000 0.968 253 D CA 1.534 55.532 54.000 -0.003 0.000 0.882 253 D CB -0.155 40.642 40.800 -0.004 0.000 0.918 253 D HN 0.424 nan 8.370 nan 0.000 0.503 254 S N -0.620 115.092 115.700 0.020 0.000 2.575 254 S HA 0.085 4.543 4.470 -0.020 0.000 0.215 254 S C 0.860 175.487 174.600 0.046 0.000 0.966 254 S CA -0.375 57.842 58.200 0.029 0.000 0.911 254 S CB -0.048 63.168 63.200 0.027 0.000 0.780 254 S HN 0.055 nan 8.310 nan 0.000 0.514 255 L N 2.480 123.738 121.223 0.059 0.000 2.421 255 L HA 0.559 4.886 4.340 -0.020 0.000 0.263 255 L C -2.002 174.941 176.870 0.121 0.000 1.122 255 L CA -2.329 52.578 54.840 0.110 0.000 0.804 255 L CB 0.567 42.722 42.059 0.159 0.000 1.150 255 L HN 0.111 nan 8.230 nan 0.000 0.457 256 P HA 0.294 nan 4.420 nan 0.000 0.283 256 P C -1.504 175.947 177.300 0.251 0.000 1.278 256 P CA -0.632 62.554 63.100 0.143 0.000 0.834 256 P CB 1.309 33.064 31.700 0.092 0.000 1.150 257 D N 0.069 120.591 120.400 0.202 0.000 2.312 257 D HA 0.395 5.023 4.640 -0.020 0.000 0.248 257 D C -0.158 176.265 176.300 0.206 0.000 1.086 257 D CA -0.122 54.046 54.000 0.280 0.000 0.948 257 D CB 0.825 41.734 40.800 0.182 0.000 1.162 257 D HN 0.278 nan 8.370 nan 0.000 0.446 258 I N 0.727 121.435 120.570 0.230 0.000 2.404 258 I HA 0.342 4.500 4.170 -0.020 0.000 0.293 258 I C -1.353 174.819 176.117 0.091 0.000 0.992 258 I CA -0.639 60.692 61.300 0.051 0.000 1.149 258 I CB 1.149 39.143 38.000 -0.009 0.000 1.315 258 I HN -0.039 nan 8.210 nan 0.000 0.446 259 V N 7.689 127.560 119.914 -0.072 0.000 2.448 259 V HA 0.425 4.533 4.120 -0.020 0.000 0.295 259 V C -0.681 175.309 176.094 -0.174 0.000 1.025 259 V CA -0.484 61.820 62.300 0.007 0.000 0.859 259 V CB 1.311 33.145 31.823 0.018 0.000 0.988 259 V HN 0.465 nan 8.190 nan 0.000 0.431 260 F N 1.808 121.803 119.950 0.076 0.000 2.420 260 F HA 0.575 5.090 4.527 -0.021 0.000 0.342 260 F C 0.826 176.671 175.800 0.074 0.000 1.113 260 F CA -0.342 57.658 58.000 -0.001 0.000 1.059 260 F CB 1.894 40.871 39.000 -0.039 0.000 1.128 260 F HN 0.344 nan 8.300 nan 0.000 0.475 261 T N 5.429 120.072 114.554 0.148 0.000 2.770 261 T HA 0.652 4.990 4.350 -0.020 0.000 0.283 261 T C -0.328 174.444 174.700 0.120 0.000 0.988 261 T CA -0.372 61.806 62.100 0.129 0.000 0.957 261 T CB 0.398 69.288 68.868 0.036 0.000 0.930 261 T HN 0.301 nan 8.240 nan 0.000 0.443 262 I N 2.576 123.264 120.570 0.197 0.000 2.447 262 I HA 0.281 4.438 4.170 -0.020 0.000 0.287 262 I C 0.047 176.238 176.117 0.123 0.000 1.023 262 I CA -0.732 60.630 61.300 0.104 0.000 1.083 262 I CB 1.747 39.723 38.000 -0.039 0.000 1.245 262 I HN 0.577 nan 8.210 nan 0.000 0.434 263 D N 5.252 125.690 120.400 0.062 0.000 2.701 263 D HA -0.205 4.423 4.640 -0.020 0.000 0.235 263 D C 1.197 177.533 176.300 0.060 0.000 1.155 263 D CA 1.691 55.725 54.000 0.057 0.000 0.649 263 D CB -0.640 40.194 40.800 0.058 0.000 1.050 263 D HN 1.132 nan 8.370 nan 0.000 0.425 264 G N -2.203 106.628 108.800 0.052 0.000 2.189 264 G HA2 -0.293 3.655 3.960 -0.020 0.000 0.267 264 G HA3 -0.293 3.655 3.960 -0.020 0.000 0.267 264 G C 0.457 175.367 174.900 0.017 0.000 0.975 264 G CA 0.417 45.536 45.100 0.031 0.000 0.644 264 G HN 0.878 nan 8.290 nan 0.000 0.537 265 V N 0.810 120.746 119.914 0.038 0.000 2.612 265 V HA 0.500 4.608 4.120 -0.020 0.000 0.301 265 V C 0.517 176.541 176.094 -0.117 0.000 1.046 265 V CA -0.611 61.643 62.300 -0.075 0.000 0.946 265 V CB 1.791 33.540 31.823 -0.123 0.000 1.003 265 V HN 0.389 nan 8.190 nan 0.000 0.459 266 Q N 2.365 122.027 119.800 -0.229 0.000 2.256 266 Q HA 0.429 4.756 4.340 -0.020 0.000 0.254 266 Q C -1.696 174.076 176.000 -0.379 0.000 0.916 266 Q CA -0.265 55.444 55.803 -0.155 0.000 0.932 266 Q CB 1.398 30.092 28.738 -0.073 0.000 1.207 266 Q HN 0.693 nan 8.270 nan 0.000 0.426 267 Y N 3.172 123.482 120.300 0.018 0.000 2.805 267 Y HA 0.268 4.807 4.550 -0.020 0.000 0.339 267 Y C -2.113 173.925 175.900 0.230 0.000 1.012 267 Y CA -2.582 55.494 58.100 -0.040 0.000 1.262 267 Y CB 0.694 38.986 38.460 -0.281 0.000 1.100 267 Y HN 0.459 nan 8.280 nan 0.000 0.559 268 P HA 0.228 nan 4.420 nan 0.000 0.278 268 P C -0.669 176.882 177.300 0.419 0.000 1.238 268 P CA -0.139 63.157 63.100 0.327 0.000 0.794 268 P CB 1.994 33.815 31.700 0.201 0.000 0.955 269 L N 1.993 123.468 121.223 0.421 0.000 2.343 269 L HA 0.299 4.627 4.340 -0.020 0.000 0.278 269 L C 0.938 178.035 176.870 0.379 0.000 0.996 269 L CA -0.603 54.489 54.840 0.419 0.000 0.831 269 L CB 1.802 44.203 42.059 0.570 0.000 1.232 269 L HN 0.447 nan 8.230 nan 0.000 0.413 270 S N 2.289 118.101 115.700 0.188 0.000 2.652 270 S HA 0.454 4.912 4.470 -0.020 0.000 0.270 270 S C -2.010 172.457 174.600 -0.222 0.000 1.243 270 S CA -1.251 56.990 58.200 0.068 0.000 0.999 270 S CB 1.504 64.706 63.200 0.003 0.000 0.973 270 S HN 0.340 nan 8.310 nan 0.000 0.544 271 P HA -0.156 nan 4.420 nan 0.000 0.216 271 P C 1.804 178.744 177.300 -0.600 0.000 1.150 271 P CA 1.916 64.440 63.100 -0.961 0.000 0.843 271 P CB -0.287 31.192 31.700 -0.369 0.000 0.787 272 S N -0.647 114.881 115.700 -0.285 0.000 2.400 272 S HA -0.160 4.298 4.470 -0.020 0.000 0.232 272 S C 2.060 176.572 174.600 -0.148 0.000 1.025 272 S CA 1.322 59.422 58.200 -0.166 0.000 0.993 272 S CB -1.385 61.754 63.200 -0.101 0.000 0.808 272 S HN 0.150 nan 8.310 nan 0.000 0.478 273 A N 1.504 124.235 122.820 -0.148 0.000 1.898 273 A HA 0.129 4.437 4.320 -0.020 0.000 0.214 273 A C 2.075 179.665 177.584 0.010 0.000 1.183 273 A CA 1.094 53.097 52.037 -0.056 0.000 0.622 273 A CB -0.914 18.091 19.000 0.008 0.000 0.824 273 A HN 0.853 nan 8.150 nan 0.000 0.444 274 Y N -1.516 118.817 120.300 0.054 0.000 2.490 274 Y HA 0.477 5.014 4.550 -0.021 0.000 0.281 274 Y C 0.002 175.924 175.900 0.036 0.000 1.174 274 Y CA -1.451 56.660 58.100 0.019 0.000 1.295 274 Y CB -0.136 38.369 38.460 0.075 0.000 1.062 274 Y HN 0.037 nan 8.280 nan 0.000 0.522 275 I N 3.752 124.335 120.570 0.021 0.000 2.330 275 I HA 0.223 4.381 4.170 -0.020 0.000 0.289 275 I C -0.418 175.712 176.117 0.022 0.000 1.001 275 I CA -1.744 59.592 61.300 0.060 0.000 1.193 275 I CB 1.337 39.339 38.000 0.002 0.000 1.345 275 I HN 0.116 nan 8.210 nan 0.000 0.461 276 L N 6.087 127.334 121.223 0.040 0.000 2.313 276 L HA 0.328 4.656 4.340 -0.020 0.000 0.282 276 L C 0.366 177.244 176.870 0.012 0.000 1.092 276 L CA -0.229 54.621 54.840 0.018 0.000 0.831 276 L CB 0.381 42.453 42.059 0.021 0.000 1.159 276 L HN 0.615 nan 8.230 nan 0.000 0.442 277 Q N 3.084 122.883 119.800 -0.001 0.000 2.400 277 Q HA 0.197 4.525 4.340 -0.020 0.000 0.255 277 Q C -1.161 174.837 176.000 -0.004 0.000 1.008 277 Q CA -0.617 55.185 55.803 -0.002 0.000 0.841 277 Q CB 1.382 30.114 28.738 -0.008 0.000 1.220 277 Q HN 0.574 nan 8.270 nan 0.000 0.474 278 D N 4.007 124.408 120.400 0.001 0.000 2.454 278 D HA 0.074 4.702 4.640 -0.020 0.000 0.225 278 D C -0.788 175.512 176.300 0.001 0.000 1.081 278 D CA -0.354 53.645 54.000 -0.001 0.000 0.864 278 D CB 0.694 41.495 40.800 0.001 0.000 1.040 278 D HN 0.464 nan 8.370 nan 0.000 0.517 279 D N 4.457 124.856 120.400 -0.002 0.000 7.547 279 D HA -0.221 4.407 4.640 -0.020 0.000 0.125 279 D C 0.197 176.498 176.300 0.002 0.000 1.148 279 D CA 1.366 55.366 54.000 -0.001 0.000 0.811 279 D CB 0.136 40.936 40.800 -0.001 0.000 1.599 279 D HN 0.692 nan 8.370 nan 0.000 0.920 280 D N -0.351 120.051 120.400 0.003 0.000 3.006 280 D HA -0.251 4.377 4.640 -0.020 0.000 0.208 280 D C 0.117 176.422 176.300 0.008 0.000 1.116 280 D CA 1.350 55.353 54.000 0.005 0.000 0.998 280 D CB -1.547 39.255 40.800 0.004 0.000 1.124 280 D HN 0.399 nan 8.370 nan 0.000 0.413 281 S N -0.380 115.325 115.700 0.009 0.000 2.498 281 S HA 0.571 5.028 4.470 -0.020 0.000 0.317 281 S C -0.515 174.095 174.600 0.016 0.000 1.090 281 S CA -0.522 57.686 58.200 0.013 0.000 1.089 281 S CB 1.498 64.705 63.200 0.011 0.000 0.997 281 S HN 0.341 nan 8.310 nan 0.000 0.470 282 c N 3.654 122.269 118.600 0.024 0.000 2.455 282 c HA 0.909 5.466 4.570 -0.020 0.000 0.320 282 c C 0.264 174.382 174.090 0.047 0.000 1.226 282 c CA -0.549 55.799 56.329 0.031 0.000 1.569 282 c CB 1.021 43.549 42.510 0.031 0.000 2.200 282 c HN 0.991 nan 8.230 nan 0.000 0.491 283 T N -0.608 113.980 114.554 0.057 0.000 2.906 283 T HA 0.570 4.908 4.350 -0.020 0.000 0.295 283 T C -0.351 174.417 174.700 0.114 0.000 1.061 283 T CA -0.420 61.725 62.100 0.075 0.000 1.000 283 T CB 1.633 70.535 68.868 0.057 0.000 1.103 283 T HN 0.635 nan 8.240 nan 0.000 0.486 284 S N 0.291 116.082 115.700 0.153 0.000 2.531 284 S HA 0.414 4.872 4.470 -0.020 0.000 0.279 284 S C 1.467 176.179 174.600 0.188 0.000 1.305 284 S CA -0.089 58.261 58.200 0.249 0.000 1.058 284 S CB -0.149 63.218 63.200 0.280 0.000 0.899 284 S HN 1.093 nan 8.310 nan 0.000 0.493 285 G N 3.991 112.878 108.800 0.145 0.000 3.181 285 G HA2 0.228 4.176 3.960 -0.020 0.000 0.219 285 G HA3 0.228 4.176 3.960 -0.020 0.000 0.219 285 G C -0.182 174.574 174.900 -0.239 0.000 1.182 285 G CA -0.219 44.846 45.100 -0.058 0.000 0.791 285 G HN 0.581 nan 8.290 nan 0.000 0.537 286 F N -0.298 119.730 119.950 0.130 0.000 2.422 286 F HA 0.632 5.147 4.527 -0.021 0.000 0.333 286 F C 0.321 176.160 175.800 0.065 0.000 1.095 286 F CA -1.120 56.947 58.000 0.111 0.000 1.038 286 F CB 2.166 41.225 39.000 0.098 0.000 1.156 286 F HN 0.046 nan 8.300 nan 0.000 0.483 287 E N 0.699 121.031 120.200 0.220 0.000 2.356 287 E HA 0.654 4.992 4.350 -0.020 0.000 0.275 287 E C -0.919 175.705 176.600 0.040 0.000 0.904 287 E CA -0.739 55.723 56.400 0.103 0.000 0.757 287 E CB 1.953 31.684 29.700 0.052 0.000 1.232 287 E HN 0.725 nan 8.360 nan 0.000 0.442 288 G N 2.380 111.179 108.800 -0.001 0.000 2.461 288 G HA2 0.697 4.644 3.960 -0.020 0.000 0.329 288 G HA3 0.697 4.644 3.960 -0.020 0.000 0.329 288 G C -0.544 174.308 174.900 -0.080 0.000 1.170 288 G CA -0.699 44.361 45.100 -0.066 0.000 0.935 288 G HN 0.651 nan 8.290 nan 0.000 0.492 289 M N -0.323 119.204 119.600 -0.122 0.000 2.578 289 M HA 0.547 5.015 4.480 -0.020 0.000 0.276 289 M C -2.159 174.073 176.300 -0.112 0.000 1.245 289 M CA -0.980 54.256 55.300 -0.107 0.000 0.871 289 M CB 2.833 35.362 32.600 -0.119 0.000 1.722 289 M HN 0.189 nan 8.290 nan 0.000 0.473 290 D N 3.167 123.517 120.400 -0.083 0.000 2.461 290 D HA 0.463 5.090 4.640 -0.020 0.000 0.240 290 D C -0.269 175.991 176.300 -0.066 0.000 1.094 290 D CA -0.142 53.816 54.000 -0.070 0.000 0.868 290 D CB 2.084 42.855 40.800 -0.048 0.000 1.062 290 D HN 0.641 nan 8.370 nan 0.000 0.530 291 V N 0.479 120.348 119.914 -0.075 0.000 2.904 291 V HA 0.574 4.682 4.120 -0.020 0.000 0.305 291 V C -2.364 173.704 176.094 -0.042 0.000 1.067 291 V CA -1.931 60.331 62.300 -0.063 0.000 1.044 291 V CB 0.509 32.289 31.823 -0.073 0.000 1.050 291 V HN 0.176 nan 8.190 nan 0.000 0.475 292 P HA 0.102 nan 4.420 nan 0.000 0.263 292 P C 1.094 178.382 177.300 -0.020 0.000 1.175 292 P CA 0.568 63.655 63.100 -0.022 0.000 0.761 292 P CB 0.287 31.978 31.700 -0.015 0.000 0.794 293 T N -0.703 113.841 114.554 -0.017 0.000 2.897 293 T HA -0.210 4.128 4.350 -0.020 0.000 0.271 293 T C 1.802 176.496 174.700 -0.010 0.000 1.084 293 T CA 1.430 63.522 62.100 -0.014 0.000 1.123 293 T CB -0.651 68.210 68.868 -0.012 0.000 0.865 293 T HN 0.508 nan 8.240 nan 0.000 0.496 294 S N 1.738 117.433 115.700 -0.009 0.000 2.354 294 S HA -0.087 4.370 4.470 -0.020 0.000 0.219 294 S C 1.392 175.988 174.600 -0.005 0.000 1.035 294 S CA 1.039 59.236 58.200 -0.006 0.000 1.037 294 S CB -0.899 62.298 63.200 -0.005 0.000 0.956 294 S HN 0.513 nan 8.310 nan 0.000 0.428 295 S N 1.028 116.724 115.700 -0.008 0.000 2.558 295 S HA 0.453 4.910 4.470 -0.020 0.000 0.287 295 S C 0.579 175.175 174.600 -0.006 0.000 1.321 295 S CA -0.080 58.115 58.200 -0.008 0.000 1.048 295 S CB -0.073 63.118 63.200 -0.016 0.000 0.844 295 S HN 0.774 nan 8.310 nan 0.000 0.512 296 G N 1.735 110.536 108.800 0.002 0.000 2.543 296 G HA2 0.333 4.281 3.960 -0.020 0.000 0.290 296 G HA3 0.333 4.281 3.960 -0.020 0.000 0.290 296 G C -0.539 174.370 174.900 0.015 0.000 1.310 296 G CA -0.676 44.431 45.100 0.012 0.000 1.025 296 G HN 0.841 nan 8.290 nan 0.000 0.502 297 E N -1.165 119.059 120.200 0.040 0.000 2.415 297 E HA 0.229 4.567 4.350 -0.020 0.000 0.263 297 E C -1.090 175.564 176.600 0.090 0.000 0.995 297 E CA -0.246 56.192 56.400 0.063 0.000 0.915 297 E CB 0.530 30.315 29.700 0.142 0.000 0.951 297 E HN 0.228 nan 8.360 nan 0.000 0.449 298 L N 5.908 127.143 121.223 0.020 0.000 2.436 298 L HA 0.525 4.853 4.340 -0.020 0.000 0.268 298 L C -2.032 174.794 176.870 -0.073 0.000 0.974 298 L CA -0.346 54.513 54.840 0.032 0.000 0.826 298 L CB 1.144 43.174 42.059 -0.049 0.000 1.291 298 L HN 0.578 nan 8.230 nan 0.000 0.406 299 W N 5.229 126.523 121.300 -0.009 0.000 2.761 299 W HA 0.673 5.322 4.660 -0.018 0.000 0.340 299 W C -0.781 175.711 176.519 -0.046 0.000 1.072 299 W CA -0.536 56.814 57.345 0.008 0.000 1.215 299 W CB 1.751 31.253 29.460 0.070 0.000 1.420 299 W HN 0.136 nan 8.180 nan 0.000 0.519 300 I N 4.137 124.796 120.570 0.147 0.000 2.355 300 I HA 0.275 4.432 4.170 -0.020 0.000 0.288 300 I C -0.518 175.613 176.117 0.024 0.000 0.999 300 I CA -1.095 60.228 61.300 0.040 0.000 1.163 300 I CB 0.749 38.740 38.000 -0.016 0.000 1.316 300 I HN 0.242 nan 8.210 nan 0.000 0.454 301 L N 6.410 127.584 121.223 -0.082 0.000 2.270 301 L HA 0.468 4.796 4.340 -0.020 0.000 0.286 301 L C 0.960 177.807 176.870 -0.040 0.000 1.059 301 L CA -0.223 54.493 54.840 -0.206 0.000 0.839 301 L CB 0.861 42.574 42.059 -0.576 0.000 1.221 301 L HN 0.703 nan 8.230 nan 0.000 0.431 302 G N 1.024 109.832 108.800 0.012 0.000 2.606 302 G HA2 0.127 4.075 3.960 -0.020 0.000 0.262 302 G HA3 0.127 4.075 3.960 -0.020 0.000 0.262 302 G C 0.384 175.328 174.900 0.072 0.000 1.394 302 G CA -0.280 44.845 45.100 0.042 0.000 1.044 302 G HN 0.527 nan 8.290 nan 0.000 0.553 303 D N -0.839 119.598 120.400 0.062 0.000 2.158 303 D HA -0.156 4.472 4.640 -0.020 0.000 0.197 303 D C 2.657 178.988 176.300 0.052 0.000 0.995 303 D CA 0.882 54.920 54.000 0.062 0.000 0.846 303 D CB -0.479 40.410 40.800 0.148 0.000 0.941 303 D HN 0.047 nan 8.370 nan 0.000 0.456 304 V N 0.646 120.592 119.914 0.052 0.000 2.324 304 V HA -0.272 3.836 4.120 -0.020 0.000 0.250 304 V C 2.114 178.249 176.094 0.069 0.000 1.060 304 V CA 1.528 63.854 62.300 0.044 0.000 1.042 304 V CB -0.511 31.323 31.823 0.018 0.000 0.650 304 V HN 0.097 nan 8.190 nan 0.000 0.450 305 F N 0.284 120.202 119.950 -0.054 0.000 2.074 305 F HA -0.104 4.410 4.527 -0.021 0.000 0.293 305 F C 2.147 177.950 175.800 0.006 0.000 1.116 305 F CA 1.763 59.739 58.000 -0.040 0.000 1.212 305 F CB -0.234 38.659 39.000 -0.178 0.000 0.998 305 F HN 0.038 nan 8.300 nan 0.000 0.471 306 I N 0.071 120.684 120.570 0.071 0.000 2.335 306 I HA -0.299 3.859 4.170 -0.020 0.000 0.251 306 I C 2.475 178.482 176.117 -0.184 0.000 1.129 306 I CA 1.367 62.633 61.300 -0.058 0.000 1.402 306 I CB -0.572 37.427 38.000 -0.001 0.000 1.069 306 I HN 0.105 nan 8.210 nan 0.000 0.424 307 R N 0.502 120.892 120.500 -0.184 0.000 2.193 307 R HA -0.162 4.166 4.340 -0.020 0.000 0.229 307 R C 2.062 178.191 176.300 -0.285 0.000 1.110 307 R CA 1.112 57.074 56.100 -0.230 0.000 0.988 307 R CB 0.151 30.369 30.300 -0.138 0.000 0.871 307 R HN 0.335 nan 8.270 nan 0.000 0.458 308 Q N -1.334 118.238 119.800 -0.379 0.000 2.391 308 Q HA 0.065 4.393 4.340 -0.020 0.000 0.211 308 Q C -0.499 174.895 176.000 -1.009 0.000 0.908 308 Q CA 0.740 56.152 55.803 -0.653 0.000 0.920 308 Q CB 0.748 29.021 28.738 -0.775 0.000 1.056 308 Q HN 0.259 nan 8.270 nan 0.000 0.523 309 Y N -0.099 119.997 120.300 -0.340 0.000 2.363 309 Y HA 0.225 4.762 4.550 -0.021 0.000 0.325 309 Y C -0.589 175.216 175.900 -0.158 0.000 0.984 309 Y CA -1.871 56.064 58.100 -0.275 0.000 1.248 309 Y CB 0.569 38.713 38.460 -0.527 0.000 1.116 309 Y HN -0.052 nan 8.280 nan 0.000 0.470 310 Y N 2.999 123.275 120.300 -0.040 0.000 2.717 310 Y HA 0.196 4.734 4.550 -0.020 0.000 0.330 310 Y C 0.000 175.800 175.900 -0.166 0.000 1.217 310 Y CA 0.276 58.353 58.100 -0.037 0.000 1.506 310 Y CB 0.499 39.011 38.460 0.087 0.000 1.268 310 Y HN 0.578 nan 8.280 nan 0.000 0.561 311 T N 6.447 120.604 114.554 -0.661 0.000 2.824 311 T HA 0.562 4.899 4.350 -0.020 0.000 0.282 311 T C -1.064 172.988 174.700 -1.079 0.000 0.993 311 T CA -0.699 60.909 62.100 -0.820 0.000 0.967 311 T CB 1.165 69.632 68.868 -0.669 0.000 0.960 311 T HN 0.420 nan 8.240 nan 0.000 0.441 312 V N 3.644 122.917 119.914 -1.069 0.000 2.459 312 V HA 0.514 4.622 4.120 -0.020 0.000 0.295 312 V C -0.989 174.510 176.094 -0.992 0.000 1.029 312 V CA -0.930 60.858 62.300 -0.853 0.000 0.874 312 V CB 1.007 32.511 31.823 -0.531 0.000 0.985 312 V HN 0.821 nan 8.190 nan 0.000 0.438 313 F N 2.644 122.016 119.950 -0.963 0.000 2.308 313 F HA 0.421 4.937 4.527 -0.019 0.000 0.370 313 F C 0.266 175.581 175.800 -0.809 0.000 1.100 313 F CA -0.690 56.457 58.000 -1.422 0.000 1.108 313 F CB 0.897 38.288 39.000 -2.683 0.000 1.293 313 F HN 0.423 nan 8.300 nan 0.000 0.478 314 D N 3.015 123.364 120.400 -0.085 0.000 2.412 314 D HA 0.220 4.848 4.640 -0.020 0.000 0.224 314 D C 1.125 177.567 176.300 0.238 0.000 1.093 314 D CA -0.267 53.773 54.000 0.066 0.000 0.850 314 D CB 0.798 41.627 40.800 0.049 0.000 1.046 314 D HN 0.278 nan 8.370 nan 0.000 0.507 315 R N 2.809 123.411 120.500 0.170 0.000 2.153 315 R HA 0.059 4.387 4.340 -0.020 0.000 0.218 315 R C 1.628 177.930 176.300 0.003 0.000 1.072 315 R CA 0.832 56.997 56.100 0.108 0.000 0.990 315 R CB -0.455 29.881 30.300 0.061 0.000 0.889 315 R HN 0.505 nan 8.270 nan 0.000 0.452 316 A N 1.661 124.436 122.820 -0.075 0.000 1.902 316 A HA -0.115 4.193 4.320 -0.020 0.000 0.217 316 A C 1.531 179.098 177.584 -0.029 0.000 1.181 316 A CA 1.352 53.335 52.037 -0.090 0.000 0.623 316 A CB -0.159 18.763 19.000 -0.131 0.000 0.818 316 A HN 0.248 nan 8.150 nan 0.000 0.443 317 N N -0.289 118.392 118.700 -0.031 0.000 2.205 317 N HA 0.016 4.744 4.740 -0.020 0.000 0.201 317 N C -0.628 174.908 175.510 0.043 0.000 1.128 317 N CA 0.103 53.138 53.050 -0.026 0.000 0.867 317 N CB 0.143 38.560 38.487 -0.117 0.000 0.996 317 N HN 0.361 nan 8.380 nan 0.000 0.503 318 N N 1.359 120.130 118.700 0.119 0.000 2.708 318 N HA -0.167 4.560 4.740 -0.020 0.000 0.255 318 N C -0.822 174.814 175.510 0.210 0.000 1.046 318 N CA 1.099 54.266 53.050 0.196 0.000 0.715 318 N CB -0.852 37.712 38.487 0.128 0.000 0.895 318 N HN 0.458 nan 8.380 nan 0.000 0.545 319 K N -0.634 119.935 120.400 0.282 0.000 2.509 319 K HA 0.661 4.969 4.320 -0.020 0.000 0.266 319 K C -0.562 176.247 176.600 0.349 0.000 0.987 319 K CA -0.782 55.682 56.287 0.294 0.000 0.868 319 K CB 2.465 35.137 32.500 0.287 0.000 1.421 319 K HN -0.116 nan 8.250 nan 0.000 0.444 320 V N 0.742 120.790 119.914 0.224 0.000 2.555 320 V HA 0.589 4.697 4.120 -0.020 0.000 0.302 320 V C -0.017 175.940 176.094 -0.227 0.000 1.038 320 V CA -0.637 61.607 62.300 -0.092 0.000 0.887 320 V CB 1.817 33.543 31.823 -0.161 0.000 0.991 320 V HN 0.928 nan 8.190 nan 0.000 0.434 321 G N 4.083 112.495 108.800 -0.647 0.000 2.452 321 G HA2 0.788 4.736 3.960 -0.020 0.000 0.324 321 G HA3 0.788 4.736 3.960 -0.020 0.000 0.324 321 G C -1.415 172.974 174.900 -0.852 0.000 1.214 321 G CA -0.536 43.832 45.100 -1.219 0.000 0.947 321 G HN 0.571 nan 8.290 nan 0.000 0.478 322 L N 0.611 121.435 121.223 -0.665 0.000 2.409 322 L HA 0.876 5.204 4.340 -0.020 0.000 0.262 322 L C -0.056 176.692 176.870 -0.204 0.000 0.992 322 L CA -0.990 53.620 54.840 -0.383 0.000 0.817 322 L CB 2.477 44.351 42.059 -0.308 0.000 1.350 322 L HN 0.766 nan 8.230 nan 0.000 0.411 323 A N 2.342 125.145 122.820 -0.028 0.000 2.589 323 A HA 0.825 5.133 4.320 -0.020 0.000 0.296 323 A C -2.979 174.790 177.584 0.309 0.000 1.062 323 A CA -1.321 50.779 52.037 0.105 0.000 0.686 323 A CB 1.828 20.762 19.000 -0.110 0.000 1.282 323 A HN 0.336 nan 8.150 nan 0.000 0.404 324 P HA 0.282 nan 4.420 nan 0.000 0.268 324 P C 0.393 177.753 177.300 0.099 0.000 1.204 324 P CA 0.027 63.201 63.100 0.123 0.000 0.768 324 P CB 0.447 32.204 31.700 0.094 0.000 0.842 325 V N 0.810 120.718 119.914 -0.010 0.000 2.999 325 V HA 0.429 4.537 4.120 -0.020 0.000 0.307 325 V C 0.490 176.624 176.094 0.066 0.000 1.084 325 V CA -0.473 61.885 62.300 0.096 0.000 1.155 325 V CB -0.488 31.393 31.823 0.096 0.000 0.975 325 V HN 0.659 nan 8.190 nan 0.000 0.490 326 A N 0.000 122.876 122.820 0.093 0.000 2.254 326 A HA 0.000 4.308 4.320 -0.020 0.000 0.244 326 A CA 0.000 52.046 52.037 0.015 0.000 0.836 326 A CB 0.000 18.955 19.000 -0.075 0.000 0.831 326 A HN 0.000 nan 8.150 nan 0.000 0.486