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 1ump_1_C DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAIE 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.571 177.584 -0.022 0.000 1.274 10 A CA 0.000 51.978 52.037 -0.099 0.000 0.836 10 A CB 0.000 19.040 19.000 0.067 0.000 0.831 11 Y N -1.411 118.962 120.300 0.122 0.000 2.444 11 Y HA 0.713 5.263 4.550 -0.000 0.000 0.249 11 Y C 2.127 178.088 175.900 0.102 0.000 1.134 11 Y CA 0.372 58.551 58.100 0.132 0.000 1.261 11 Y CB -0.791 37.787 38.460 0.196 0.000 1.143 11 Y HN 0.268 nan 8.280 nan 0.000 0.523 12 A N 2.217 125.013 122.820 -0.039 0.000 1.859 12 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 12 A C 2.384 180.011 177.584 0.071 0.000 1.209 12 A CA 2.545 54.600 52.037 0.031 0.000 0.639 12 A CB -0.910 18.051 19.000 -0.065 0.000 0.835 12 A HN 0.506 nan 8.150 nan 0.000 0.450 13 R N -1.300 119.220 120.500 0.033 0.000 2.120 13 R HA -0.108 4.231 4.340 -0.000 0.000 0.234 13 R C 2.188 178.514 176.300 0.043 0.000 1.123 13 R CA 1.867 57.983 56.100 0.027 0.000 0.975 13 R CB -0.482 29.818 30.300 0.001 0.000 0.866 13 R HN 0.591 nan 8.270 nan 0.000 0.446 14 T N 1.262 115.865 114.554 0.082 0.000 2.701 14 T HA -0.117 4.233 4.350 -0.000 0.000 0.263 14 T C 1.730 176.526 174.700 0.160 0.000 1.040 14 T CA 1.054 63.218 62.100 0.105 0.000 1.147 14 T CB -0.160 68.822 68.868 0.191 0.000 0.865 14 T HN 0.180 nan 8.240 nan 0.000 0.426 15 L N 0.884 122.232 121.223 0.209 0.000 2.079 15 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 15 L C 2.209 179.157 176.870 0.131 0.000 1.081 15 L CA 1.506 56.464 54.840 0.197 0.000 0.752 15 L CB -0.432 41.761 42.059 0.223 0.000 0.896 15 L HN 0.249 nan 8.230 nan 0.000 0.433 16 D N -0.538 119.921 120.400 0.099 0.000 2.123 16 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 16 D C 2.257 178.590 176.300 0.055 0.000 0.976 16 D CA 0.983 55.021 54.000 0.064 0.000 0.831 16 D CB -0.063 40.765 40.800 0.046 0.000 0.974 16 D HN 0.223 nan 8.370 nan 0.000 0.469 17 R N 0.416 120.939 120.500 0.039 0.000 2.148 17 R HA 0.052 4.392 4.340 -0.000 0.000 0.227 17 R C 2.072 178.400 176.300 0.046 0.000 1.103 17 R CA 0.925 57.033 56.100 0.013 0.000 0.983 17 R CB 0.005 30.273 30.300 -0.055 0.000 0.874 17 R HN 0.086 nan 8.270 nan 0.000 0.451 18 A N 0.363 123.239 122.820 0.093 0.000 1.855 18 A HA -0.057 4.263 4.320 -0.000 0.000 0.213 18 A C 2.227 179.924 177.584 0.189 0.000 1.195 18 A CA 0.815 52.970 52.037 0.198 0.000 0.610 18 A CB -0.534 18.682 19.000 0.360 0.000 0.837 18 A HN 0.082 nan 8.150 nan 0.000 0.444 19 V N 0.299 120.287 119.914 0.124 0.000 2.370 19 V HA -0.312 3.808 4.120 -0.000 0.000 0.252 19 V C 2.563 178.702 176.094 0.075 0.000 1.068 19 V CA 2.637 64.978 62.300 0.070 0.000 1.061 19 V CB -0.673 31.167 31.823 0.030 0.000 0.656 19 V HN 0.762 nan 8.190 nan 0.000 0.455 20 E N -1.335 118.914 120.200 0.083 0.000 2.158 20 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 20 E C 2.006 178.655 176.600 0.081 0.000 0.982 20 E CA 0.850 57.290 56.400 0.067 0.000 0.823 20 E CB -0.259 29.474 29.700 0.054 0.000 0.766 20 E HN 0.672 nan 8.360 nan 0.000 0.468 21 Y N 0.676 120.972 120.300 -0.007 0.000 2.109 21 Y HA -0.160 4.390 4.550 -0.000 0.000 0.285 21 Y C 1.928 177.839 175.900 0.019 0.000 1.131 21 Y CA 1.677 59.757 58.100 -0.033 0.000 1.121 21 Y CB -0.423 37.988 38.460 -0.082 0.000 0.987 21 Y HN 0.050 nan 8.280 nan 0.000 0.495 22 L N -0.468 120.829 121.223 0.123 0.000 2.021 22 L HA -0.325 4.015 4.340 -0.000 0.000 0.215 22 L C 2.463 179.490 176.870 0.262 0.000 1.074 22 L CA 1.873 56.804 54.840 0.153 0.000 0.760 22 L CB -0.708 41.411 42.059 0.101 0.000 0.889 22 L HN 0.360 nan 8.230 nan 0.000 0.433 23 L N -0.719 120.602 121.223 0.163 0.000 2.083 23 L HA -0.218 4.121 4.340 -0.000 0.000 0.209 23 L C 2.830 179.670 176.870 -0.050 0.000 1.083 23 L CA 1.522 56.437 54.840 0.124 0.000 0.752 23 L CB -0.480 41.627 42.059 0.080 0.000 0.899 23 L HN 0.410 nan 8.230 nan 0.000 0.433 24 S N -1.452 114.179 115.700 -0.114 0.000 2.419 24 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 24 S C 1.896 176.330 174.600 -0.277 0.000 1.016 24 S CA 1.146 59.225 58.200 -0.201 0.000 0.974 24 S CB -0.814 62.252 63.200 -0.224 0.000 0.786 24 S HN 0.469 nan 8.310 nan 0.000 0.492 25 C N 1.326 120.450 119.300 -0.293 0.000 2.539 25 C HA 0.272 4.732 4.460 -0.000 0.000 0.268 25 C C 1.389 176.193 174.990 -0.310 0.000 1.395 25 C CA -0.527 58.340 59.018 -0.253 0.000 1.757 25 C CB -1.572 26.074 27.740 -0.156 0.000 1.851 25 C HN 0.700 nan 8.230 nan 0.000 0.545 26 Q N 1.735 121.232 119.800 -0.504 0.000 2.337 26 Q HA 0.105 4.444 4.340 -0.000 0.000 0.270 26 Q C -0.373 175.192 176.000 -0.724 0.000 1.002 26 Q CA 0.488 55.658 55.803 -1.054 0.000 0.888 26 Q CB 0.554 28.567 28.738 -1.208 0.000 1.222 26 Q HN 0.316 nan 8.270 nan 0.000 0.400 27 K N 2.692 122.587 120.400 -0.842 0.000 2.237 27 K HA 0.024 4.344 4.320 -0.000 0.000 0.270 27 K C 0.281 176.513 176.600 -0.613 0.000 1.015 27 K CA -0.081 55.776 56.287 -0.717 0.000 0.949 27 K CB 0.629 32.490 32.500 -1.065 0.000 0.976 27 K HN 0.565 nan 8.250 nan 0.000 0.472 28 D N 1.541 121.700 120.400 -0.402 0.000 2.218 28 D HA -0.221 4.418 4.640 -0.000 0.000 0.194 28 D C 0.850 176.987 176.300 -0.272 0.000 1.007 28 D CA 1.566 55.398 54.000 -0.281 0.000 0.879 28 D CB 0.226 40.917 40.800 -0.183 0.000 0.918 28 D HN 0.595 nan 8.370 nan 0.000 0.449 29 E N -1.447 118.561 120.200 -0.319 0.000 2.358 29 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 29 E C 1.412 177.869 176.600 -0.238 0.000 1.010 29 E CA 0.625 56.922 56.400 -0.172 0.000 0.856 29 E CB 0.333 30.051 29.700 0.029 0.000 0.795 29 E HN 0.405 nan 8.360 nan 0.000 0.504 30 G N 0.546 109.053 108.800 -0.489 0.000 2.336 30 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.194 30 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.194 30 G C -0.010 174.481 174.900 -0.682 0.000 0.999 30 G CA 0.000 44.823 45.100 -0.463 0.000 0.669 30 G HN 0.290 nan 8.290 nan 0.000 0.482 31 Y N -0.135 119.606 120.300 -0.932 0.000 2.374 31 Y HA 0.800 5.349 4.550 -0.000 0.000 0.322 31 Y C 0.261 175.808 175.900 -0.588 0.000 1.275 31 Y CA -2.368 55.170 58.100 -0.938 0.000 1.307 31 Y CB 0.881 38.380 38.460 -1.602 0.000 1.282 31 Y HN 0.104 nan 8.280 nan 0.000 0.509 32 W N 1.627 122.870 121.300 -0.095 0.000 2.578 32 W HA 0.348 5.008 4.660 -0.000 0.000 0.346 32 W C -1.579 175.105 176.519 0.275 0.000 1.075 32 W CA -0.820 56.535 57.345 0.016 0.000 1.233 32 W CB 1.922 31.364 29.460 -0.030 0.000 1.358 32 W HN 0.773 nan 8.180 nan 0.000 0.574 33 W N 2.045 123.493 121.300 0.248 0.000 3.698 33 W HA 0.433 5.093 4.660 -0.000 0.000 0.315 33 W C -1.166 175.418 176.519 0.109 0.000 1.129 33 W CA -1.250 56.188 57.345 0.155 0.000 1.299 33 W CB 0.374 29.976 29.460 0.235 0.000 1.181 33 W HN 0.387 nan 8.180 nan 0.000 0.423 34 G N 4.995 113.895 108.800 0.167 0.000 2.417 34 G HA2 0.731 4.691 3.960 -0.000 0.000 0.334 34 G HA3 0.731 4.691 3.960 -0.000 0.000 0.334 34 G C -2.750 172.042 174.900 -0.179 0.000 1.150 34 G CA -1.604 43.474 45.100 -0.037 0.000 0.923 34 G HN 0.111 nan 8.290 nan 0.000 0.485 35 P HA 0.117 nan 4.420 nan 0.000 0.267 35 P C -0.561 176.654 177.300 -0.143 0.000 1.200 35 P CA -0.337 62.611 63.100 -0.253 0.000 0.772 35 P CB 0.915 32.475 31.700 -0.233 0.000 0.855 36 L N 3.850 124.982 121.223 -0.153 0.000 2.294 36 L HA 0.336 4.675 4.340 -0.000 0.000 0.283 36 L C -1.071 175.689 176.870 -0.184 0.000 1.015 36 L CA -0.587 54.133 54.840 -0.200 0.000 0.831 36 L CB 0.317 42.270 42.059 -0.175 0.000 1.217 36 L HN 0.073 nan 8.230 nan 0.000 0.420 37 L N 3.972 125.060 121.223 -0.226 0.000 2.357 37 L HA 0.685 5.025 4.340 -0.000 0.000 0.273 37 L C 0.869 177.578 176.870 -0.268 0.000 1.080 37 L CA 0.492 55.241 54.840 -0.151 0.000 0.803 37 L CB 1.308 43.345 42.059 -0.037 0.000 1.174 37 L HN 0.895 nan 8.230 nan 0.000 0.443 38 S N 1.213 116.888 115.700 -0.042 0.000 4.055 38 S HA 0.551 5.021 4.470 -0.000 0.000 0.180 38 S C -0.380 174.297 174.600 0.128 0.000 1.191 38 S CA -0.044 58.103 58.200 -0.088 0.000 1.195 38 S CB 0.937 64.034 63.200 -0.171 0.000 1.932 38 S HN 0.667 nan 8.310 nan 0.000 0.781 39 N N -0.384 118.352 118.700 0.061 0.000 2.853 39 N HA 0.466 5.205 4.740 -0.000 0.000 0.258 39 N C 0.315 175.923 175.510 0.163 0.000 1.444 39 N CA -0.373 52.751 53.050 0.123 0.000 0.837 39 N CB 1.415 39.934 38.487 0.054 0.000 1.489 39 N HN 0.823 nan 8.380 nan 0.000 0.529 40 V N -3.099 116.891 119.914 0.127 0.000 3.380 40 V HA -0.040 4.080 4.120 -0.000 0.000 0.268 40 V C 1.733 177.844 176.094 0.029 0.000 1.168 40 V CA 1.634 64.003 62.300 0.115 0.000 1.156 40 V CB -1.744 29.997 31.823 -0.137 0.000 0.785 40 V HN 0.912 nan 8.190 nan 0.000 0.487 41 T N -2.373 112.186 114.554 0.009 0.000 2.849 41 T HA -0.208 4.141 4.350 -0.000 0.000 0.270 41 T C 1.872 176.540 174.700 -0.054 0.000 1.066 41 T CA 1.771 63.841 62.100 -0.049 0.000 1.130 41 T CB -0.495 68.362 68.868 -0.018 0.000 0.864 41 T HN 0.350 nan 8.240 nan 0.000 0.481 42 M N 1.352 120.978 119.600 0.044 0.000 2.080 42 M HA -0.032 4.448 4.480 -0.000 0.000 0.260 42 M C 2.147 178.478 176.300 0.052 0.000 1.068 42 M CA 1.782 57.098 55.300 0.028 0.000 1.109 42 M CB -1.140 31.552 32.600 0.154 0.000 1.342 42 M HN 0.358 nan 8.290 nan 0.000 0.405 43 E N 0.182 120.450 120.200 0.113 0.000 2.190 43 E HA 0.121 4.471 4.350 -0.000 0.000 0.191 43 E C 2.126 178.818 176.600 0.154 0.000 0.978 43 E CA 1.027 57.541 56.400 0.190 0.000 0.839 43 E CB -0.385 29.436 29.700 0.202 0.000 0.787 43 E HN 0.466 nan 8.360 nan 0.000 0.473 44 A N 1.194 124.029 122.820 0.024 0.000 1.908 44 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 44 A C 1.936 179.389 177.584 -0.218 0.000 1.181 44 A CA 1.752 53.736 52.037 -0.088 0.000 0.627 44 A CB -0.451 18.446 19.000 -0.171 0.000 0.818 44 A HN 0.195 nan 8.150 nan 0.000 0.445 45 E N -1.934 118.060 120.200 -0.342 0.000 2.107 45 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 45 E C 1.809 178.216 176.600 -0.322 0.000 0.982 45 E CA 1.137 57.094 56.400 -0.738 0.000 0.809 45 E CB -0.289 28.842 29.700 -0.947 0.000 0.756 45 E HN 0.786 nan 8.360 nan 0.000 0.459 46 Y N 1.044 121.292 120.300 -0.087 0.000 2.207 46 Y HA -0.272 4.278 4.550 -0.000 0.000 0.287 46 Y C 2.051 177.849 175.900 -0.171 0.000 1.156 46 Y CA 1.180 59.188 58.100 -0.153 0.000 1.182 46 Y CB -0.096 38.364 38.460 -0.000 0.000 0.979 46 Y HN -0.165 nan 8.280 nan 0.000 0.521 47 V N 0.462 120.380 119.914 0.007 0.000 2.295 47 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 47 V C 2.375 178.314 176.094 -0.259 0.000 1.049 47 V CA 2.116 64.377 62.300 -0.064 0.000 1.024 47 V CB -0.701 31.147 31.823 0.041 0.000 0.648 47 V HN 0.451 nan 8.190 nan 0.000 0.447 48 L N -0.899 120.163 121.223 -0.267 0.000 2.093 48 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 48 L C 2.450 179.293 176.870 -0.045 0.000 1.085 48 L CA 0.969 55.702 54.840 -0.178 0.000 0.755 48 L CB -0.613 41.411 42.059 -0.057 0.000 0.904 48 L HN 0.334 nan 8.230 nan 0.000 0.435 49 L N -0.133 121.023 121.223 -0.111 0.000 2.013 49 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 49 L C 2.542 179.240 176.870 -0.287 0.000 1.073 49 L CA 1.905 56.642 54.840 -0.171 0.000 0.753 49 L CB -0.627 41.129 42.059 -0.506 0.000 0.890 49 L HN 0.261 nan 8.230 nan 0.000 0.432 50 C N -1.059 118.028 119.300 -0.355 0.000 2.440 50 C HA -0.154 4.306 4.460 -0.000 0.000 0.278 50 C C 2.687 177.561 174.990 -0.192 0.000 1.295 50 C CA 0.896 59.753 59.018 -0.268 0.000 1.738 50 C CB -1.393 26.205 27.740 -0.236 0.000 1.987 50 C HN 0.813 nan 8.230 nan 0.000 0.492 51 H N 0.795 119.702 119.070 -0.271 0.000 2.321 51 H HA -0.063 4.493 4.556 -0.000 0.000 0.300 51 H C 1.910 177.116 175.328 -0.204 0.000 1.087 51 H CA 1.900 57.817 56.048 -0.217 0.000 1.319 51 H CB -0.369 29.146 29.762 -0.413 0.000 1.379 51 H HN 0.424 nan 8.280 nan 0.000 0.501 52 I N 0.179 120.490 120.570 -0.431 0.000 2.208 52 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 52 I C 1.935 177.608 176.117 -0.740 0.000 1.097 52 I CA 1.225 62.042 61.300 -0.804 0.000 1.363 52 I CB -0.138 37.417 38.000 -0.742 0.000 1.051 52 I HN 0.314 nan 8.210 nan 0.000 0.413 53 L N -0.365 120.576 121.223 -0.470 0.000 2.492 53 L HA -0.005 4.335 4.340 -0.000 0.000 0.223 53 L C 0.483 177.160 176.870 -0.323 0.000 1.132 53 L CA 0.187 54.804 54.840 -0.373 0.000 0.850 53 L CB -0.338 41.492 42.059 -0.381 0.000 0.966 53 L HN 0.268 nan 8.230 nan 0.000 0.454 54 D N 1.539 121.763 120.400 -0.294 0.000 2.775 54 D HA -0.200 4.440 4.640 -0.000 0.000 0.235 54 D C 0.027 176.229 176.300 -0.162 0.000 1.120 54 D CA 0.608 54.495 54.000 -0.189 0.000 0.708 54 D CB -0.582 40.129 40.800 -0.148 0.000 1.084 54 D HN 0.343 nan 8.370 nan 0.000 0.434 55 R N -0.178 120.211 120.500 -0.184 0.000 2.639 55 R HA 0.422 4.762 4.340 -0.000 0.000 0.273 55 R C -0.825 175.479 176.300 0.007 0.000 1.732 55 R CA -0.616 55.407 56.100 -0.129 0.000 1.586 55 R CB 1.592 31.679 30.300 -0.355 0.000 1.263 55 R HN -0.057 nan 8.270 nan 0.000 0.615 56 V N 1.830 121.768 119.914 0.040 0.000 2.328 56 V HA 0.115 4.235 4.120 -0.000 0.000 0.278 56 V C -0.086 176.053 176.094 0.075 0.000 1.021 56 V CA -0.703 61.648 62.300 0.084 0.000 0.838 56 V CB 1.399 33.308 31.823 0.144 0.000 0.999 56 V HN 0.426 nan 8.190 nan 0.000 0.447 57 D N 5.124 125.566 120.400 0.070 0.000 2.339 57 D HA 0.180 4.820 4.640 -0.000 0.000 0.241 57 D C 1.305 177.619 176.300 0.024 0.000 1.183 57 D CA -0.357 53.666 54.000 0.038 0.000 0.859 57 D CB 0.969 41.777 40.800 0.013 0.000 1.067 57 D HN 0.255 nan 8.370 nan 0.000 0.484 58 R N 3.058 123.571 120.500 0.023 0.000 2.096 58 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 58 R C 0.982 177.285 176.300 0.006 0.000 1.127 58 R CA 0.881 56.991 56.100 0.016 0.000 0.968 58 R CB -0.239 30.067 30.300 0.010 0.000 0.861 58 R HN 0.590 nan 8.270 nan 0.000 0.440 59 D N 0.397 120.794 120.400 -0.005 0.000 2.092 59 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 59 D C 1.951 178.229 176.300 -0.038 0.000 0.994 59 D CA 1.191 55.182 54.000 -0.015 0.000 0.828 59 D CB -0.176 40.611 40.800 -0.022 0.000 0.963 59 D HN 0.020 nan 8.370 nan 0.000 0.450 60 R N 0.428 120.875 120.500 -0.088 0.000 2.091 60 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 60 R C 2.155 178.414 176.300 -0.067 0.000 1.136 60 R CA 1.186 57.174 56.100 -0.185 0.000 0.959 60 R CB -0.486 29.642 30.300 -0.287 0.000 0.856 60 R HN 0.083 nan 8.270 nan 0.000 0.437 61 M N 0.416 120.024 119.600 0.013 0.000 2.108 61 M HA -0.128 4.351 4.480 -0.000 0.000 0.261 61 M C 2.074 178.426 176.300 0.087 0.000 1.066 61 M CA 1.964 57.313 55.300 0.082 0.000 1.107 61 M CB -1.114 31.542 32.600 0.092 0.000 1.356 61 M HN 0.213 nan 8.290 nan 0.000 0.406 62 E N 0.954 121.188 120.200 0.058 0.000 2.058 62 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 62 E C 1.862 178.525 176.600 0.105 0.000 0.997 62 E CA 1.747 58.189 56.400 0.071 0.000 0.801 62 E CB -0.183 29.545 29.700 0.047 0.000 0.746 62 E HN 0.402 nan 8.360 nan 0.000 0.450 63 K N -0.059 120.394 120.400 0.089 0.000 2.097 63 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 63 K C 2.321 179.061 176.600 0.233 0.000 1.049 63 K CA 1.523 57.890 56.287 0.133 0.000 0.933 63 K CB -0.264 32.295 32.500 0.099 0.000 0.717 63 K HN 0.294 nan 8.250 nan 0.000 0.442 64 I N 0.597 121.308 120.570 0.235 0.000 2.315 64 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 64 I C 2.694 179.014 176.117 0.339 0.000 1.117 64 I CA 0.832 62.335 61.300 0.339 0.000 1.404 64 I CB -0.206 37.980 38.000 0.310 0.000 1.071 64 I HN 0.150 nan 8.210 nan 0.000 0.419 65 R N 1.168 121.811 120.500 0.238 0.000 2.096 65 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 65 R C 2.436 178.883 176.300 0.245 0.000 1.139 65 R CA 1.666 57.890 56.100 0.206 0.000 0.952 65 R CB -0.117 30.268 30.300 0.142 0.000 0.854 65 R HN 0.284 nan 8.270 nan 0.000 0.436 66 R N -0.983 119.677 120.500 0.267 0.000 2.092 66 R HA -0.167 4.173 4.340 -0.000 0.000 0.231 66 R C 2.247 178.811 176.300 0.439 0.000 1.119 66 R CA 1.550 57.835 56.100 0.308 0.000 0.970 66 R CB -0.433 30.048 30.300 0.301 0.000 0.864 66 R HN 0.363 nan 8.270 nan 0.000 0.440 67 Y N 1.509 122.020 120.300 0.351 0.000 2.145 67 Y HA -0.170 4.380 4.550 -0.000 0.000 0.286 67 Y C 1.866 177.998 175.900 0.388 0.000 1.145 67 Y CA 1.393 59.738 58.100 0.408 0.000 1.148 67 Y CB -0.313 38.314 38.460 0.277 0.000 0.981 67 Y HN -0.077 nan 8.280 nan 0.000 0.507 68 L N -0.264 121.095 121.223 0.227 0.000 2.017 68 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 68 L C 2.530 179.642 176.870 0.405 0.000 1.073 68 L CA 1.447 56.405 54.840 0.198 0.000 0.745 68 L CB -0.704 41.478 42.059 0.206 0.000 0.894 68 L HN 0.312 nan 8.230 nan 0.000 0.432 69 L N -1.039 120.364 121.223 0.300 0.000 2.083 69 L HA -0.261 4.079 4.340 -0.000 0.000 0.209 69 L C 2.638 179.543 176.870 0.059 0.000 1.083 69 L CA 1.309 56.260 54.840 0.185 0.000 0.752 69 L CB -0.748 41.397 42.059 0.144 0.000 0.899 69 L HN 0.341 nan 8.230 nan 0.000 0.433 70 H N 0.087 119.143 119.070 -0.023 0.000 2.387 70 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 70 H C 2.067 177.281 175.328 -0.189 0.000 1.090 70 H CA 1.440 57.383 56.048 -0.175 0.000 1.332 70 H CB 0.310 29.879 29.762 -0.322 0.000 1.386 70 H HN 0.162 nan 8.280 nan 0.000 0.516 71 E N 0.427 120.583 120.200 -0.072 0.000 2.371 71 E HA -0.055 4.294 4.350 -0.000 0.000 0.194 71 E C 0.358 176.771 176.600 -0.312 0.000 1.012 71 E CA 0.131 56.461 56.400 -0.118 0.000 0.860 71 E CB 0.014 29.702 29.700 -0.019 0.000 0.811 71 E HN 0.620 nan 8.360 nan 0.000 0.502 72 Q N 1.291 120.780 119.800 -0.518 0.000 2.337 72 Q HA 0.068 4.408 4.340 -0.000 0.000 0.270 72 Q C -0.405 175.206 176.000 -0.648 0.000 1.002 72 Q CA 0.057 55.209 55.803 -1.084 0.000 0.888 72 Q CB 0.556 28.643 28.738 -1.084 0.000 1.222 72 Q HN -0.119 nan 8.270 nan 0.000 0.400 73 R N 1.662 121.789 120.500 -0.621 0.000 2.546 73 R HA 0.031 4.371 4.340 -0.000 0.000 0.266 73 R C 0.785 176.875 176.300 -0.350 0.000 1.086 73 R CA -0.369 55.483 56.100 -0.413 0.000 1.160 73 R CB 0.292 30.379 30.300 -0.355 0.000 1.138 73 R HN 0.682 nan 8.270 nan 0.000 0.567 74 E N 1.035 121.082 120.200 -0.255 0.000 2.160 74 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 74 E C 0.606 177.099 176.600 -0.179 0.000 0.991 74 E CA 1.890 58.174 56.400 -0.193 0.000 0.810 74 E CB -0.143 29.468 29.700 -0.148 0.000 0.742 74 E HN 0.654 nan 8.360 nan 0.000 0.466 75 D N -1.243 119.037 120.400 -0.199 0.000 2.352 75 D HA 0.051 4.691 4.640 -0.000 0.000 0.232 75 D C 1.264 177.448 176.300 -0.193 0.000 1.055 75 D CA 0.802 54.699 54.000 -0.172 0.000 0.891 75 D CB -0.305 40.392 40.800 -0.172 0.000 0.897 75 D HN 0.306 nan 8.370 nan 0.000 0.529 76 G N -0.162 108.481 108.800 -0.261 0.000 2.179 76 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 76 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 76 G C 0.433 175.102 174.900 -0.385 0.000 0.977 76 G CA 0.685 45.624 45.100 -0.269 0.000 0.641 76 G HN 0.859 nan 8.290 nan 0.000 0.533 77 T N -2.657 111.610 114.554 -0.477 0.000 2.940 77 T HA 0.687 5.037 4.350 -0.000 0.000 0.288 77 T C -0.044 174.349 174.700 -0.512 0.000 1.033 77 T CA -0.848 61.003 62.100 -0.415 0.000 1.033 77 T CB 2.188 70.693 68.868 -0.606 0.000 1.079 77 T HN 0.385 nan 8.240 nan 0.000 0.496 78 W N 0.200 121.402 121.300 -0.163 0.000 2.639 78 W HA 0.693 5.352 4.660 -0.000 0.000 0.347 78 W C -0.003 176.423 176.519 -0.154 0.000 1.067 78 W CA -1.094 56.170 57.345 -0.136 0.000 1.218 78 W CB 2.269 31.690 29.460 -0.065 0.000 1.393 78 W HN 1.055 nan 8.180 nan 0.000 0.557 79 A N 1.265 124.113 122.820 0.047 0.000 2.435 79 A HA 0.622 4.942 4.320 -0.000 0.000 0.296 79 A C 0.110 177.677 177.584 -0.028 0.000 1.147 79 A CA -0.614 51.372 52.037 -0.085 0.000 0.775 79 A CB 1.303 20.127 19.000 -0.294 0.000 1.340 79 A HN 0.687 nan 8.150 nan 0.000 0.427 80 L N -0.453 120.749 121.223 -0.036 0.000 2.492 80 L HA 0.140 4.479 4.340 -0.000 0.000 0.223 80 L C -0.103 176.925 176.870 0.264 0.000 1.132 80 L CA 0.759 55.698 54.840 0.165 0.000 0.850 80 L CB -0.621 41.673 42.059 0.392 0.000 0.966 80 L HN 0.752 nan 8.230 nan 0.000 0.454 81 Y N -4.535 115.733 120.300 -0.054 0.000 2.624 81 Y HA 0.595 5.144 4.550 -0.000 0.000 0.334 81 Y C -3.022 172.636 175.900 -0.404 0.000 1.155 81 Y CA -3.670 54.199 58.100 -0.386 0.000 1.046 81 Y CB -0.171 38.127 38.460 -0.270 0.000 1.316 81 Y HN -0.278 nan 8.280 nan 0.000 0.457 82 P HA 0.178 nan 4.420 nan 0.000 0.262 82 P C 0.860 178.094 177.300 -0.109 0.000 1.182 82 P CA 2.398 65.320 63.100 -0.298 0.000 0.761 82 P CB 0.603 32.095 31.700 -0.347 0.000 0.795 83 G N 2.163 110.870 108.800 -0.155 0.000 2.189 83 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.267 83 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.267 83 G C 0.687 175.479 174.900 -0.180 0.000 0.975 83 G CA -0.026 45.029 45.100 -0.075 0.000 0.644 83 G HN 0.892 nan 8.290 nan 0.000 0.537 84 G N 0.365 108.858 108.800 -0.512 0.000 2.634 84 G HA2 0.588 4.548 3.960 -0.000 0.000 0.255 84 G HA3 0.588 4.548 3.960 -0.000 0.000 0.255 84 G C -1.383 173.249 174.900 -0.447 0.000 1.205 84 G CA -0.209 44.361 45.100 -0.883 0.000 0.884 84 G HN 0.325 nan 8.290 nan 0.000 0.549 85 P HA 0.256 nan 4.420 nan 0.000 0.274 85 P C -2.628 174.560 177.300 -0.186 0.000 1.237 85 P CA -1.431 61.567 63.100 -0.170 0.000 0.793 85 P CB 0.040 31.708 31.700 -0.054 0.000 0.977 86 P HA 0.084 nan 4.420 nan 0.000 0.264 86 P C -0.638 176.630 177.300 -0.054 0.000 1.193 86 P CA 0.644 63.531 63.100 -0.355 0.000 0.763 86 P CB -0.053 31.105 31.700 -0.904 0.000 0.810 87 D N 2.205 122.629 120.400 0.040 0.000 2.381 87 D HA 0.149 4.789 4.640 -0.000 0.000 0.235 87 D C 0.859 177.375 176.300 0.360 0.000 1.068 87 D CA -0.555 53.575 54.000 0.216 0.000 0.832 87 D CB 0.714 41.619 40.800 0.175 0.000 1.101 87 D HN 0.042 nan 8.370 nan 0.000 0.515 88 L N 4.054 125.525 121.223 0.414 0.000 1.989 88 L HA -0.099 4.240 4.340 -0.000 0.000 0.211 88 L C 1.227 178.223 176.870 0.209 0.000 1.071 88 L CA 1.991 57.034 54.840 0.339 0.000 0.749 88 L CB -0.442 41.688 42.059 0.118 0.000 0.890 88 L HN 0.509 nan 8.230 nan 0.000 0.431 89 D N -0.988 119.514 120.400 0.169 0.000 2.104 89 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 89 D C 2.051 178.408 176.300 0.094 0.000 0.994 89 D CA 2.027 56.096 54.000 0.115 0.000 0.830 89 D CB -0.431 40.453 40.800 0.138 0.000 0.959 89 D HN 0.408 nan 8.370 nan 0.000 0.452 90 T N 0.194 114.826 114.554 0.131 0.000 2.821 90 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 90 T C 2.010 176.718 174.700 0.014 0.000 1.046 90 T CA 1.408 63.550 62.100 0.071 0.000 1.139 90 T CB -0.293 68.653 68.868 0.130 0.000 0.871 90 T HN 0.146 nan 8.240 nan 0.000 0.454 91 T N 2.059 116.723 114.554 0.183 0.000 2.857 91 T HA 0.128 4.478 4.350 -0.000 0.000 0.266 91 T C 1.979 176.771 174.700 0.155 0.000 1.048 91 T CA 0.601 62.882 62.100 0.301 0.000 1.139 91 T CB -0.294 68.886 68.868 0.521 0.000 0.874 91 T HN 0.306 nan 8.240 nan 0.000 0.455 92 I N 1.110 121.743 120.570 0.106 0.000 2.163 92 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 92 I C 2.626 178.756 176.117 0.022 0.000 1.085 92 I CA 1.542 62.866 61.300 0.041 0.000 1.347 92 I CB -0.353 37.641 38.000 -0.009 0.000 1.044 92 I HN 0.355 nan 8.210 nan 0.000 0.408 93 E N 0.798 120.971 120.200 -0.045 0.000 2.072 93 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 93 E C 2.354 178.857 176.600 -0.162 0.000 0.982 93 E CA 1.137 57.479 56.400 -0.097 0.000 0.803 93 E CB -0.171 29.447 29.700 -0.137 0.000 0.755 93 E HN 0.492 nan 8.360 nan 0.000 0.453 94 A N 1.024 123.642 122.820 -0.336 0.000 1.908 94 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 94 A C 2.036 179.442 177.584 -0.296 0.000 1.181 94 A CA 1.467 53.144 52.037 -0.600 0.000 0.627 94 A CB -0.866 17.121 19.000 -1.688 0.000 0.818 94 A HN 0.406 nan 8.150 nan 0.000 0.445 95 Y N 0.431 120.604 120.300 -0.212 0.000 2.128 95 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 95 Y C 2.399 178.304 175.900 0.008 0.000 1.154 95 Y CA 2.118 60.217 58.100 -0.002 0.000 1.149 95 Y CB -0.225 38.278 38.460 0.072 0.000 0.976 95 Y HN 0.082 nan 8.280 nan 0.000 0.505 96 V N 0.313 120.347 119.914 0.199 0.000 2.295 96 V HA -0.338 3.782 4.120 -0.000 0.000 0.246 96 V C 2.633 178.761 176.094 0.055 0.000 1.049 96 V CA 1.749 64.131 62.300 0.137 0.000 1.024 96 V CB -1.547 30.337 31.823 0.102 0.000 0.648 96 V HN 0.583 nan 8.190 nan 0.000 0.447 97 A N -0.155 122.670 122.820 0.009 0.000 1.865 97 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 97 A C 2.228 179.860 177.584 0.080 0.000 1.191 97 A CA 2.000 54.060 52.037 0.038 0.000 0.623 97 A CB -0.697 18.297 19.000 -0.010 0.000 0.826 97 A HN 0.475 nan 8.150 nan 0.000 0.444 98 L N -0.734 120.491 121.223 0.002 0.000 2.081 98 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 98 L C 2.691 179.535 176.870 -0.043 0.000 1.080 98 L CA 2.118 56.955 54.840 -0.004 0.000 0.754 98 L CB -0.356 41.690 42.059 -0.021 0.000 0.893 98 L HN 0.510 nan 8.230 nan 0.000 0.433 99 K N -0.774 119.565 120.400 -0.102 0.000 2.103 99 K HA -0.229 4.091 4.320 -0.000 0.000 0.204 99 K C 2.257 178.851 176.600 -0.011 0.000 1.052 99 K CA 1.117 57.342 56.287 -0.103 0.000 0.945 99 K CB -0.229 32.181 32.500 -0.149 0.000 0.722 99 K HN 0.176 nan 8.250 nan 0.000 0.443 100 Y N 1.385 121.652 120.300 -0.055 0.000 2.081 100 Y HA -0.253 4.297 4.550 -0.000 0.000 0.280 100 Y C 1.741 177.630 175.900 -0.018 0.000 1.163 100 Y CA 1.999 60.075 58.100 -0.041 0.000 1.135 100 Y CB -0.159 38.270 38.460 -0.053 0.000 0.970 100 Y HN 0.006 nan 8.280 nan 0.000 0.498 101 I N -0.559 119.964 120.570 -0.078 0.000 2.361 101 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 101 I C 2.057 178.080 176.117 -0.156 0.000 1.133 101 I CA 1.829 63.053 61.300 -0.128 0.000 1.413 101 I CB -0.410 37.623 38.000 0.055 0.000 1.073 101 I HN 0.609 nan 8.210 nan 0.000 0.424 102 G N -1.046 107.687 108.800 -0.111 0.000 3.468 102 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.219 102 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.219 102 G C 0.390 175.259 174.900 -0.051 0.000 0.968 102 G CA -0.601 44.447 45.100 -0.086 0.000 0.851 102 G HN 0.017 nan 8.290 nan 0.000 0.524 103 M N 2.323 121.899 119.600 -0.041 0.000 2.249 103 M HA 0.376 4.856 4.480 -0.000 0.000 0.340 103 M C 0.933 177.200 176.300 -0.055 0.000 1.166 103 M CA 0.408 55.686 55.300 -0.037 0.000 1.115 103 M CB 1.134 33.716 32.600 -0.030 0.000 1.606 103 M HN 0.288 nan 8.290 nan 0.000 0.448 104 S N 2.334 118.015 115.700 -0.033 0.000 2.585 104 S HA 0.261 4.731 4.470 -0.000 0.000 0.277 104 S C 1.019 175.608 174.600 -0.018 0.000 1.241 104 S CA -0.754 57.434 58.200 -0.020 0.000 1.041 104 S CB 1.266 64.467 63.200 0.001 0.000 0.987 104 S HN 0.861 nan 8.310 nan 0.000 0.512 105 R N 1.896 122.400 120.500 0.007 0.000 2.117 105 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 105 R C 0.623 176.972 176.300 0.081 0.000 1.143 105 R CA 2.303 58.441 56.100 0.064 0.000 0.968 105 R CB -0.582 29.792 30.300 0.124 0.000 0.863 105 R HN 0.724 nan 8.270 nan 0.000 0.444 106 D N 0.799 121.233 120.400 0.057 0.000 2.218 106 D HA -0.095 4.545 4.640 -0.000 0.000 0.204 106 D C 0.083 176.411 176.300 0.046 0.000 0.976 106 D CA 0.868 54.899 54.000 0.052 0.000 0.853 106 D CB -0.165 40.658 40.800 0.038 0.000 0.939 106 D HN 0.435 nan 8.370 nan 0.000 0.481 107 E N 0.518 120.740 120.200 0.037 0.000 2.398 107 E HA -0.019 4.330 4.350 -0.000 0.000 0.263 107 E C 1.081 177.706 176.600 0.042 0.000 1.046 107 E CA -0.125 56.294 56.400 0.031 0.000 0.908 107 E CB 0.996 30.708 29.700 0.021 0.000 0.963 107 E HN 0.080 nan 8.360 nan 0.000 0.431 108 E N 3.419 123.637 120.200 0.030 0.000 2.070 108 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 108 E C -0.965 175.654 176.600 0.032 0.000 1.004 108 E CA 1.820 58.236 56.400 0.026 0.000 0.805 108 E CB -0.711 28.994 29.700 0.009 0.000 0.744 108 E HN 0.354 nan 8.360 nan 0.000 0.451 109 P HA -0.165 nan 4.420 nan 0.000 0.218 109 P C 1.223 178.587 177.300 0.107 0.000 1.148 109 P CA 1.522 64.640 63.100 0.031 0.000 0.822 109 P CB -0.003 31.721 31.700 0.040 0.000 0.784 110 M N -1.267 118.406 119.600 0.121 0.000 2.193 110 M HA -0.071 4.409 4.480 -0.000 0.000 0.265 110 M C 2.137 178.619 176.300 0.304 0.000 1.071 110 M CA 1.649 57.072 55.300 0.205 0.000 1.140 110 M CB -1.575 31.057 32.600 0.053 0.000 1.369 110 M HN 0.054 nan 8.290 nan 0.000 0.423 111 Q N 0.340 120.249 119.800 0.182 0.000 2.084 111 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 111 Q C 2.141 178.222 176.000 0.136 0.000 0.978 111 Q CA 1.290 57.185 55.803 0.153 0.000 0.844 111 Q CB -0.039 28.755 28.738 0.095 0.000 0.898 111 Q HN 0.482 nan 8.270 nan 0.000 0.426 112 K N 0.262 120.727 120.400 0.108 0.000 2.009 112 K HA -0.157 4.162 4.320 -0.000 0.000 0.210 112 K C 2.150 178.829 176.600 0.132 0.000 1.049 112 K CA 1.290 57.624 56.287 0.078 0.000 0.929 112 K CB -0.267 32.238 32.500 0.010 0.000 0.714 112 K HN 0.145 nan 8.250 nan 0.000 0.440 113 A N 1.591 124.530 122.820 0.198 0.000 1.902 113 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 113 A C 2.123 179.857 177.584 0.249 0.000 1.181 113 A CA 1.188 53.408 52.037 0.307 0.000 0.623 113 A CB -0.554 18.776 19.000 0.550 0.000 0.818 113 A HN 0.234 nan 8.150 nan 0.000 0.443 114 L N 0.025 121.352 121.223 0.174 0.000 1.989 114 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 114 L C 2.468 179.346 176.870 0.013 0.000 1.071 114 L CA 1.912 56.734 54.840 -0.030 0.000 0.749 114 L CB -0.690 41.384 42.059 0.024 0.000 0.890 114 L HN 0.309 nan 8.230 nan 0.000 0.431 115 R N -1.009 119.536 120.500 0.074 0.000 2.113 115 R HA -0.260 4.080 4.340 -0.000 0.000 0.244 115 R C 2.285 178.633 176.300 0.080 0.000 1.142 115 R CA 2.152 58.292 56.100 0.066 0.000 0.953 115 R CB -1.362 28.986 30.300 0.080 0.000 0.860 115 R HN 0.462 nan 8.270 nan 0.000 0.438 116 F N 1.492 121.445 119.950 0.003 0.000 2.102 116 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 116 F C 2.230 178.028 175.800 -0.003 0.000 1.105 116 F CA 1.161 59.164 58.000 0.006 0.000 1.239 116 F CB -0.412 38.599 39.000 0.019 0.000 0.991 116 F HN -0.136 nan 8.300 nan 0.000 0.474 117 I N 0.413 120.906 120.570 -0.128 0.000 2.151 117 I HA -0.374 3.796 4.170 -0.000 0.000 0.243 117 I C 2.440 178.392 176.117 -0.274 0.000 1.080 117 I CA 1.803 62.950 61.300 -0.255 0.000 1.339 117 I CB -0.647 37.258 38.000 -0.157 0.000 1.039 117 I HN 0.286 nan 8.210 nan 0.000 0.409 118 Q N 0.078 119.770 119.800 -0.180 0.000 2.119 118 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 118 Q C 2.364 178.282 176.000 -0.137 0.000 0.972 118 Q CA 1.909 57.634 55.803 -0.129 0.000 0.847 118 Q CB -0.205 28.490 28.738 -0.071 0.000 0.903 118 Q HN 0.622 nan 8.270 nan 0.000 0.433 119 S N 0.204 115.802 115.700 -0.171 0.000 2.447 119 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 119 S C 1.645 176.129 174.600 -0.193 0.000 1.006 119 S CA 0.632 58.745 58.200 -0.144 0.000 0.957 119 S CB 0.096 63.237 63.200 -0.099 0.000 0.773 119 S HN 0.224 nan 8.310 nan 0.000 0.507 120 Q N 0.509 120.114 119.800 -0.325 0.000 2.360 120 Q HA 0.310 4.649 4.340 -0.000 0.000 0.202 120 Q C 1.382 177.287 176.000 -0.159 0.000 0.915 120 Q CA 0.701 56.339 55.803 -0.276 0.000 0.943 120 Q CB 0.348 28.822 28.738 -0.441 0.000 1.064 120 Q HN 0.807 nan 8.270 nan 0.000 0.511 121 G N -0.265 108.455 108.800 -0.134 0.000 2.163 121 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.213 121 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.213 121 G C 0.628 175.483 174.900 -0.075 0.000 0.991 121 G CA 0.114 45.170 45.100 -0.074 0.000 0.653 121 G HN 0.717 nan 8.290 nan 0.000 0.518 122 G N -0.320 108.403 108.800 -0.128 0.000 2.569 122 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.259 122 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.259 122 G C 1.063 175.871 174.900 -0.154 0.000 1.263 122 G CA 0.415 45.424 45.100 -0.151 0.000 0.928 122 G HN 1.086 nan 8.290 nan 0.000 0.572 123 I N 1.207 121.638 120.570 -0.231 0.000 2.361 123 I HA -0.085 4.084 4.170 -0.000 0.000 0.251 123 I C 2.514 178.571 176.117 -0.098 0.000 1.133 123 I CA 1.670 62.826 61.300 -0.239 0.000 1.413 123 I CB -0.265 37.449 38.000 -0.476 0.000 1.073 123 I HN 0.473 nan 8.210 nan 0.000 0.424 124 E N 0.279 120.488 120.200 0.015 0.000 2.409 124 E HA -0.104 4.246 4.350 -0.000 0.000 0.198 124 E C 2.018 178.635 176.600 0.027 0.000 1.024 124 E CA 0.667 57.121 56.400 0.091 0.000 0.861 124 E CB -0.114 29.673 29.700 0.146 0.000 0.788 124 E HN 0.350 nan 8.360 nan 0.000 0.521 125 S N 0.571 116.262 115.700 -0.015 0.000 2.548 125 S HA 0.008 4.478 4.470 -0.000 0.000 0.215 125 S C 0.905 175.496 174.600 -0.014 0.000 0.976 125 S CA -0.047 58.145 58.200 -0.014 0.000 0.908 125 S CB 0.241 63.420 63.200 -0.036 0.000 0.781 125 S HN 0.288 nan 8.310 nan 0.000 0.519 126 S N 2.196 117.871 115.700 -0.041 0.000 2.652 126 S HA 0.468 4.938 4.470 -0.000 0.000 0.270 126 S C 0.182 174.761 174.600 -0.035 0.000 1.243 126 S CA -1.057 57.123 58.200 -0.033 0.000 0.999 126 S CB 0.715 63.872 63.200 -0.071 0.000 0.973 126 S HN 0.523 nan 8.310 nan 0.000 0.544 127 R N 0.472 120.973 120.500 0.002 0.000 2.774 127 R HA 0.297 4.637 4.340 -0.000 0.000 0.269 127 R C 0.784 177.026 176.300 -0.097 0.000 1.068 127 R CA -0.634 55.460 56.100 -0.010 0.000 1.180 127 R CB -0.174 30.169 30.300 0.072 0.000 1.077 127 R HN 0.398 nan 8.270 nan 0.000 0.513 128 V N 0.720 120.523 119.914 -0.185 0.000 2.287 128 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 128 V C 2.092 178.074 176.094 -0.186 0.000 1.053 128 V CA 1.845 63.994 62.300 -0.252 0.000 1.027 128 V CB -0.872 30.695 31.823 -0.427 0.000 0.646 128 V HN 0.682 nan 8.190 nan 0.000 0.447 129 F N 0.661 120.531 119.950 -0.134 0.000 2.161 129 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 129 F C 2.582 178.453 175.800 0.118 0.000 1.089 129 F CA 1.897 59.890 58.000 -0.011 0.000 1.282 129 F CB -1.413 37.593 39.000 0.009 0.000 1.010 129 F HN 0.100 nan 8.300 nan 0.000 0.485 130 T N -0.480 114.202 114.554 0.213 0.000 2.701 130 T HA -0.152 4.197 4.350 -0.000 0.000 0.263 130 T C 2.137 176.834 174.700 -0.004 0.000 1.040 130 T CA 1.261 63.437 62.100 0.127 0.000 1.147 130 T CB -0.190 68.694 68.868 0.028 0.000 0.865 130 T HN 0.142 nan 8.240 nan 0.000 0.426 131 R N 0.450 120.826 120.500 -0.205 0.000 2.120 131 R HA 0.033 4.373 4.340 -0.000 0.000 0.234 131 R C 2.499 178.593 176.300 -0.343 0.000 1.123 131 R CA 1.194 56.974 56.100 -0.532 0.000 0.975 131 R CB -0.298 29.439 30.300 -0.939 0.000 0.866 131 R HN 0.397 nan 8.270 nan 0.000 0.446 132 M N -0.711 118.774 119.600 -0.192 0.000 2.156 132 M HA -0.148 4.331 4.480 -0.000 0.000 0.264 132 M C 1.303 177.452 176.300 -0.251 0.000 1.067 132 M CA 1.653 56.774 55.300 -0.299 0.000 1.131 132 M CB -0.065 32.434 32.600 -0.169 0.000 1.368 132 M HN 0.171 nan 8.290 nan 0.000 0.416 133 W N 0.847 122.121 121.300 -0.042 0.000 2.363 133 W HA -0.156 4.504 4.660 -0.000 0.000 0.296 133 W C 2.046 178.554 176.519 -0.019 0.000 1.212 133 W CA 1.026 58.387 57.345 0.025 0.000 1.260 133 W CB -0.375 29.124 29.460 0.064 0.000 1.131 133 W HN 0.186 nan 8.180 nan 0.000 0.530 134 L N -0.350 120.965 121.223 0.154 0.000 2.046 134 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 134 L C 2.640 179.539 176.870 0.050 0.000 1.077 134 L CA 1.244 56.147 54.840 0.105 0.000 0.747 134 L CB -1.264 40.841 42.059 0.077 0.000 0.896 134 L HN -0.014 nan 8.230 nan 0.000 0.432 135 A N 0.142 122.880 122.820 -0.137 0.000 1.902 135 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 135 A C 2.252 179.638 177.584 -0.329 0.000 1.181 135 A CA 1.416 53.193 52.037 -0.435 0.000 0.623 135 A CB -0.731 17.556 19.000 -1.189 0.000 0.818 135 A HN 0.364 nan 8.150 nan 0.000 0.443 136 L N -0.249 120.881 121.223 -0.155 0.000 2.187 136 L HA -0.135 4.205 4.340 -0.000 0.000 0.213 136 L C 1.926 179.018 176.870 0.371 0.000 1.100 136 L CA 1.411 56.409 54.840 0.263 0.000 0.765 136 L CB -0.175 42.020 42.059 0.226 0.000 0.904 136 L HN 0.475 nan 8.230 nan 0.000 0.437 137 V N -4.139 115.933 119.914 0.262 0.000 3.271 137 V HA 0.550 4.670 4.120 -0.000 0.000 0.327 137 V C 1.088 177.305 176.094 0.204 0.000 1.389 137 V CA 0.233 62.703 62.300 0.282 0.000 1.156 137 V CB -0.099 31.846 31.823 0.204 0.000 1.103 137 V HN 0.420 nan 8.190 nan 0.000 0.453 138 G N 0.688 109.590 108.800 0.171 0.000 2.175 138 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 138 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 138 G C 0.458 175.438 174.900 0.133 0.000 0.982 138 G CA 0.412 45.599 45.100 0.143 0.000 0.641 138 G HN 0.523 nan 8.290 nan 0.000 0.527 139 E N -1.225 119.069 120.200 0.157 0.000 2.481 139 E HA 0.303 4.653 4.350 -0.000 0.000 0.198 139 E C -0.084 176.717 176.600 0.334 0.000 1.027 139 E CA -0.019 56.511 56.400 0.216 0.000 0.900 139 E CB 0.532 30.353 29.700 0.201 0.000 0.993 139 E HN 0.665 nan 8.360 nan 0.000 0.482 140 Y N 0.620 120.972 120.300 0.087 0.000 2.552 140 Y HA 0.329 4.879 4.550 -0.000 0.000 0.337 140 Y C -2.703 173.189 175.900 -0.013 0.000 1.094 140 Y CA -2.492 55.664 58.100 0.093 0.000 1.028 140 Y CB 2.050 40.541 38.460 0.051 0.000 1.321 140 Y HN -0.189 nan 8.280 nan 0.000 0.456 141 P HA 0.108 nan 4.420 nan 0.000 0.282 141 P C -0.114 177.159 177.300 -0.046 0.000 1.262 141 P CA 0.166 63.129 63.100 -0.228 0.000 0.773 141 P CB 0.571 32.092 31.700 -0.298 0.000 0.879 142 W N 1.623 122.960 121.300 0.061 0.000 2.387 142 W HA -0.156 4.504 4.660 -0.000 0.000 0.272 142 W C 2.140 178.756 176.519 0.161 0.000 1.224 142 W CA 0.882 58.308 57.345 0.135 0.000 1.210 142 W CB -0.213 29.305 29.460 0.096 0.000 1.125 142 W HN 0.440 nan 8.180 nan 0.000 0.572 143 E N 0.757 121.122 120.200 0.274 0.000 2.209 143 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 143 E C 1.511 178.003 176.600 -0.180 0.000 0.993 143 E CA 1.397 57.842 56.400 0.076 0.000 0.819 143 E CB -0.070 29.632 29.700 0.003 0.000 0.745 143 E HN 0.130 nan 8.360 nan 0.000 0.477 144 K N -0.622 119.761 120.400 -0.028 0.000 2.374 144 K HA 0.145 4.465 4.320 -0.000 0.000 0.196 144 K C -0.462 176.279 176.600 0.236 0.000 1.023 144 K CA -0.058 56.245 56.287 0.027 0.000 1.103 144 K CB 1.119 33.615 32.500 -0.006 0.000 0.848 144 K HN -0.055 nan 8.250 nan 0.000 0.528 145 V N 3.885 124.000 119.914 0.335 0.000 2.432 145 V HA 0.128 4.248 4.120 -0.000 0.000 0.271 145 V C -2.323 174.035 176.094 0.439 0.000 1.046 145 V CA -2.154 60.355 62.300 0.349 0.000 0.945 145 V CB 0.671 32.685 31.823 0.319 0.000 0.992 145 V HN 0.007 nan 8.190 nan 0.000 0.471 146 P HA -0.021 nan 4.420 nan 0.000 0.260 146 P C -0.263 177.207 177.300 0.284 0.000 1.172 146 P CA 0.077 63.390 63.100 0.354 0.000 0.760 146 P CB 0.232 32.098 31.700 0.277 0.000 0.773 147 M N 5.579 125.271 119.600 0.153 0.000 2.162 147 M HA 0.172 4.652 4.480 -0.000 0.000 0.356 147 M C -1.118 175.101 176.300 -0.135 0.000 1.303 147 M CA -0.005 55.238 55.300 -0.094 0.000 1.116 147 M CB 0.323 32.709 32.600 -0.356 0.000 1.632 147 M HN -0.017 nan 8.290 nan 0.000 0.469 148 V N 9.471 129.237 119.914 -0.247 0.000 2.311 148 V HA 0.522 4.642 4.120 -0.000 0.000 0.275 148 V C -2.146 173.770 176.094 -0.296 0.000 1.022 148 V CA -1.253 60.837 62.300 -0.349 0.000 0.830 148 V CB 0.806 32.271 31.823 -0.597 0.000 1.012 148 V HN 0.793 nan 8.190 nan 0.000 0.452 149 P HA 0.364 nan 4.420 nan 0.000 0.287 149 P C -2.274 174.881 177.300 -0.242 0.000 1.270 149 P CA -2.217 60.755 63.100 -0.213 0.000 0.844 149 P CB 1.586 33.204 31.700 -0.136 0.000 1.068 150 P HA -0.120 nan 4.420 nan 0.000 0.222 150 P C 0.839 177.926 177.300 -0.355 0.000 1.147 150 P CA 1.355 64.284 63.100 -0.284 0.000 0.790 150 P CB 0.120 31.676 31.700 -0.241 0.000 0.780 151 E N -0.329 119.710 120.200 -0.269 0.000 2.409 151 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 151 E C 1.900 178.361 176.600 -0.232 0.000 1.024 151 E CA 0.150 56.386 56.400 -0.274 0.000 0.861 151 E CB -1.080 28.635 29.700 0.026 0.000 0.788 151 E HN 0.273 nan 8.360 nan 0.000 0.521 152 I N 0.244 120.674 120.570 -0.234 0.000 2.315 152 I HA -0.317 3.853 4.170 -0.000 0.000 0.251 152 I C 1.305 177.271 176.117 -0.252 0.000 1.125 152 I CA 0.970 62.142 61.300 -0.214 0.000 1.392 152 I CB 0.106 37.945 38.000 -0.269 0.000 1.065 152 I HN 0.181 nan 8.210 nan 0.000 0.424 153 M N -0.456 118.919 119.600 -0.376 0.000 2.446 153 M HA -0.158 4.321 4.480 -0.000 0.000 0.263 153 M C 1.697 177.853 176.300 -0.241 0.000 1.066 153 M CA 1.440 56.517 55.300 -0.371 0.000 1.087 153 M CB -1.247 31.085 32.600 -0.446 0.000 1.406 153 M HN 0.194 nan 8.290 nan 0.000 0.459 154 F N 0.083 119.993 119.950 -0.067 0.000 2.710 154 F HA 0.167 4.694 4.527 -0.000 0.000 0.298 154 F C 0.985 176.759 175.800 -0.043 0.000 1.137 154 F CA -0.489 57.479 58.000 -0.053 0.000 1.444 154 F CB -0.895 38.065 39.000 -0.067 0.000 1.111 154 F HN -0.051 nan 8.300 nan 0.000 0.580 155 L N 0.490 121.775 121.223 0.103 0.000 2.418 155 L HA 0.290 4.630 4.340 -0.000 0.000 0.274 155 L C 1.198 178.113 176.870 0.074 0.000 1.135 155 L CA -0.405 54.476 54.840 0.068 0.000 0.870 155 L CB -0.191 41.888 42.059 0.033 0.000 1.154 155 L HN 0.089 nan 8.230 nan 0.000 0.462 156 G N 2.378 111.224 108.800 0.076 0.000 2.651 156 G HA2 0.118 4.078 3.960 -0.000 0.000 0.260 156 G HA3 0.118 4.078 3.960 -0.000 0.000 0.260 156 G C 0.746 175.706 174.900 0.099 0.000 1.216 156 G CA -0.484 44.667 45.100 0.086 0.000 0.913 156 G HN 0.884 nan 8.290 nan 0.000 0.535 157 K N -1.118 119.349 120.400 0.111 0.000 2.486 157 K HA 0.093 4.413 4.320 -0.000 0.000 0.194 157 K C 1.715 178.366 176.600 0.085 0.000 1.033 157 K CA 0.693 57.062 56.287 0.136 0.000 1.004 157 K CB 0.359 32.925 32.500 0.109 0.000 0.798 157 K HN 0.328 nan 8.250 nan 0.000 0.495 158 R N 0.365 120.899 120.500 0.056 0.000 2.507 158 R HA 0.328 4.668 4.340 -0.000 0.000 0.298 158 R C -0.448 175.871 176.300 0.032 0.000 0.999 158 R CA -0.196 55.926 56.100 0.036 0.000 1.082 158 R CB 0.270 30.583 30.300 0.023 0.000 1.246 158 R HN 0.232 nan 8.270 nan 0.000 0.553 159 M N 0.952 120.577 119.600 0.041 0.000 2.537 159 M HA 0.405 4.885 4.480 -0.000 0.000 0.324 159 M C -2.318 174.003 176.300 0.034 0.000 1.187 159 M CA -2.192 53.128 55.300 0.034 0.000 0.993 159 M CB 1.926 34.547 32.600 0.036 0.000 1.666 159 M HN -0.222 nan 8.290 nan 0.000 0.461 160 P HA 0.176 nan 4.420 nan 0.000 0.267 160 P C -0.227 177.099 177.300 0.043 0.000 1.205 160 P CA 0.107 63.227 63.100 0.035 0.000 0.765 160 P CB 0.280 32.014 31.700 0.056 0.000 0.828 161 L N -0.892 120.337 121.223 0.010 0.000 4.291 161 L HA -0.308 4.032 4.340 -0.000 0.000 0.413 161 L C 0.665 177.614 176.870 0.131 0.000 1.162 161 L CA 0.297 55.160 54.840 0.040 0.000 0.961 161 L CB -2.205 39.901 42.059 0.078 0.000 2.095 161 L HN 0.555 nan 8.230 nan 0.000 0.838 162 N N 1.135 119.882 118.700 0.077 0.000 2.415 162 N HA 0.273 5.013 4.740 -0.000 0.000 0.248 162 N C 1.455 177.017 175.510 0.086 0.000 1.271 162 N CA 0.128 53.213 53.050 0.058 0.000 0.913 162 N CB 0.472 39.001 38.487 0.070 0.000 1.129 162 N HN 0.349 nan 8.380 nan 0.000 0.444 163 I N -2.714 117.778 120.570 -0.129 0.000 2.454 163 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 163 I C 0.526 176.502 176.117 -0.235 0.000 1.156 163 I CA 1.039 62.162 61.300 -0.296 0.000 1.433 163 I CB -0.495 37.066 38.000 -0.732 0.000 1.082 163 I HN 0.471 nan 8.210 nan 0.000 0.432 164 Y N 1.994 122.361 120.300 0.111 0.000 2.583 164 Y HA 0.091 4.641 4.550 -0.000 0.000 0.293 164 Y C 2.188 178.135 175.900 0.079 0.000 1.157 164 Y CA 0.418 58.587 58.100 0.114 0.000 1.315 164 Y CB -0.521 38.000 38.460 0.101 0.000 1.021 164 Y HN 0.331 nan 8.280 nan 0.000 0.536 165 E N -0.605 119.671 120.200 0.127 0.000 2.435 165 E HA -0.007 4.342 4.350 -0.000 0.000 0.195 165 E C -0.315 176.172 176.600 -0.188 0.000 1.029 165 E CA 0.102 56.476 56.400 -0.044 0.000 0.865 165 E CB 0.022 29.625 29.700 -0.162 0.000 0.833 165 E HN 0.239 nan 8.360 nan 0.000 0.510 166 F N 1.229 121.109 119.950 -0.116 0.000 2.382 166 F HA 0.305 4.831 4.527 -0.000 0.000 0.331 166 F C 1.497 177.161 175.800 -0.227 0.000 1.121 166 F CA -0.506 57.387 58.000 -0.179 0.000 1.183 166 F CB 0.529 39.403 39.000 -0.210 0.000 1.207 166 F HN -0.187 nan 8.300 nan 0.000 0.555 167 G N 0.253 108.905 108.800 -0.248 0.000 2.636 167 G HA2 0.272 4.232 3.960 -0.000 0.000 0.246 167 G HA3 0.272 4.232 3.960 -0.000 0.000 0.246 167 G C 0.843 175.339 174.900 -0.672 0.000 1.216 167 G CA 0.025 44.746 45.100 -0.632 0.000 0.854 167 G HN 0.794 nan 8.290 nan 0.000 0.572 168 S N -0.233 115.112 115.700 -0.592 0.000 2.359 168 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 168 S C 1.989 176.384 174.600 -0.341 0.000 1.035 168 S CA 2.177 60.173 58.200 -0.340 0.000 1.018 168 S CB -0.805 62.125 63.200 -0.449 0.000 0.876 168 S HN 0.944 nan 8.310 nan 0.000 0.448 169 W N 2.286 123.538 121.300 -0.079 0.000 2.363 169 W HA 0.292 4.952 4.660 -0.000 0.000 0.296 169 W C 2.393 178.985 176.519 0.121 0.000 1.212 169 W CA 0.654 58.013 57.345 0.023 0.000 1.260 169 W CB -0.952 28.611 29.460 0.171 0.000 1.131 169 W HN 0.352 nan 8.180 nan 0.000 0.530 170 A N 1.134 123.845 122.820 -0.182 0.000 1.970 170 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 170 A C 2.254 179.779 177.584 -0.098 0.000 1.170 170 A CA 1.422 53.491 52.037 0.053 0.000 0.645 170 A CB -0.825 18.228 19.000 0.088 0.000 0.816 170 A HN 0.401 nan 8.150 nan 0.000 0.447 171 R N -0.111 120.285 120.500 -0.172 0.000 2.070 171 R HA -0.128 4.211 4.340 -0.000 0.000 0.233 171 R C 2.279 178.398 176.300 -0.303 0.000 1.137 171 R CA 1.631 57.561 56.100 -0.283 0.000 0.945 171 R CB -0.420 29.809 30.300 -0.118 0.000 0.845 171 R HN 0.403 nan 8.270 nan 0.000 0.430 172 A N -0.142 122.661 122.820 -0.028 0.000 1.930 172 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 172 A C 2.178 179.779 177.584 0.028 0.000 1.175 172 A CA 1.933 54.044 52.037 0.124 0.000 0.627 172 A CB -0.805 18.387 19.000 0.319 0.000 0.815 172 A HN 0.485 nan 8.150 nan 0.000 0.443 173 T N -0.472 114.131 114.554 0.081 0.000 2.684 173 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 173 T C 1.865 176.544 174.700 -0.035 0.000 1.036 173 T CA 1.651 63.861 62.100 0.184 0.000 1.148 173 T CB -0.386 68.705 68.868 0.372 0.000 0.863 173 T HN 0.143 nan 8.240 nan 0.000 0.436 174 V N 1.067 120.831 119.914 -0.249 0.000 2.358 174 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 174 V C 2.635 178.429 176.094 -0.501 0.000 1.047 174 V CA 1.240 63.232 62.300 -0.513 0.000 1.035 174 V CB -0.505 30.824 31.823 -0.823 0.000 0.658 174 V HN 0.311 nan 8.190 nan 0.000 0.452 175 V N 0.272 119.870 119.914 -0.527 0.000 2.295 175 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 175 V C 2.665 178.567 176.094 -0.320 0.000 1.049 175 V CA 2.137 64.120 62.300 -0.527 0.000 1.024 175 V CB -1.120 30.222 31.823 -0.802 0.000 0.648 175 V HN 0.570 nan 8.190 nan 0.000 0.447 176 A N -0.345 122.342 122.820 -0.221 0.000 1.873 176 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 176 A C 2.160 179.647 177.584 -0.162 0.000 1.186 176 A CA 1.590 53.534 52.037 -0.155 0.000 0.616 176 A CB -0.532 18.421 19.000 -0.079 0.000 0.823 176 A HN 0.504 nan 8.150 nan 0.000 0.442 177 L N 0.748 121.847 121.223 -0.207 0.000 2.362 177 L HA -0.130 4.210 4.340 -0.000 0.000 0.219 177 L C 2.832 179.527 176.870 -0.292 0.000 1.134 177 L CA 1.183 55.864 54.840 -0.264 0.000 0.807 177 L CB -0.370 41.479 42.059 -0.350 0.000 0.927 177 L HN 0.624 nan 8.230 nan 0.000 0.447 178 S N -0.063 115.444 115.700 -0.321 0.000 2.423 178 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 178 S C 1.822 176.264 174.600 -0.264 0.000 1.014 178 S CA 0.745 58.754 58.200 -0.319 0.000 0.965 178 S CB -0.365 62.624 63.200 -0.352 0.000 0.785 178 S HN 0.407 nan 8.310 nan 0.000 0.495 179 I N 1.014 121.450 120.570 -0.224 0.000 2.333 179 I HA -0.048 4.122 4.170 -0.000 0.000 0.246 179 I C 2.446 178.448 176.117 -0.192 0.000 1.106 179 I CA 0.601 61.790 61.300 -0.186 0.000 1.411 179 I CB -0.351 37.565 38.000 -0.140 0.000 1.082 179 I HN 0.181 nan 8.210 nan 0.000 0.420 180 V N 0.890 120.695 119.914 -0.181 0.000 2.261 180 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 180 V C 2.467 178.353 176.094 -0.347 0.000 1.047 180 V CA 1.989 64.182 62.300 -0.179 0.000 1.015 180 V CB -0.510 31.259 31.823 -0.091 0.000 0.642 180 V HN 0.382 nan 8.190 nan 0.000 0.446 181 M N -0.422 118.964 119.600 -0.355 0.000 2.296 181 M HA -0.132 4.348 4.480 -0.000 0.000 0.265 181 M C 2.493 178.519 176.300 -0.458 0.000 1.064 181 M CA 1.583 56.593 55.300 -0.484 0.000 1.109 181 M CB -0.627 31.807 32.600 -0.277 0.000 1.396 181 M HN 0.449 nan 8.290 nan 0.000 0.430 182 S N 0.580 116.070 115.700 -0.351 0.000 2.380 182 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 182 S C 1.993 176.389 174.600 -0.340 0.000 1.043 182 S CA 1.336 59.344 58.200 -0.320 0.000 1.038 182 S CB -0.013 63.035 63.200 -0.252 0.000 0.872 182 S HN 0.397 nan 8.310 nan 0.000 0.456 183 R N 0.051 120.335 120.500 -0.360 0.000 2.206 183 R HA 0.259 4.599 4.340 -0.000 0.000 0.198 183 R C 0.371 176.395 176.300 -0.460 0.000 0.986 183 R CA 0.248 56.151 56.100 -0.329 0.000 1.029 183 R CB -0.694 29.462 30.300 -0.240 0.000 0.966 183 R HN 0.574 nan 8.270 nan 0.000 0.487 184 Q N 1.164 120.491 119.800 -0.788 0.000 2.443 184 Q HA -0.121 4.218 4.340 -0.000 0.000 0.337 184 Q C -2.203 173.384 176.000 -0.689 0.000 1.401 184 Q CA -0.003 54.986 55.803 -1.356 0.000 0.943 184 Q CB -1.139 26.982 28.738 -1.027 0.000 1.177 184 Q HN 0.281 nan 8.270 nan 0.000 0.394 185 P HA 0.227 nan 4.420 nan 0.000 0.275 185 P C -0.384 176.946 177.300 0.050 0.000 1.227 185 P CA -0.111 62.883 63.100 -0.176 0.000 0.781 185 P CB 1.313 32.956 31.700 -0.096 0.000 0.906 186 V N 3.750 123.549 119.914 -0.192 0.000 2.531 186 V HA 0.354 4.474 4.120 -0.000 0.000 0.301 186 V C -0.459 175.446 176.094 -0.315 0.000 1.034 186 V CA -0.311 61.971 62.300 -0.029 0.000 0.865 186 V CB 1.229 33.107 31.823 0.092 0.000 0.995 186 V HN 0.338 nan 8.190 nan 0.000 0.424 187 F N 5.484 125.545 119.950 0.185 0.000 2.451 187 F HA 0.471 4.998 4.527 -0.000 0.000 0.367 187 F C -2.286 173.714 175.800 0.332 0.000 1.100 187 F CA -2.493 55.613 58.000 0.177 0.000 1.171 187 F CB 1.259 40.324 39.000 0.110 0.000 1.405 187 F HN 0.311 nan 8.300 nan 0.000 0.482 188 P HA 0.039 nan 4.420 nan 0.000 0.266 188 P C -0.053 177.442 177.300 0.325 0.000 1.195 188 P CA 0.075 63.341 63.100 0.275 0.000 0.768 188 P CB 0.788 32.593 31.700 0.174 0.000 0.838 189 L N 4.738 126.053 121.223 0.154 0.000 2.453 189 L HA 0.288 4.628 4.340 -0.000 0.000 0.261 189 L C -1.721 175.228 176.870 0.132 0.000 1.179 189 L CA -1.918 52.946 54.840 0.041 0.000 0.813 189 L CB -0.382 41.691 42.059 0.023 0.000 1.110 189 L HN 0.264 nan 8.230 nan 0.000 0.466 190 P HA -0.034 nan 4.420 nan 0.000 0.268 190 P C 0.303 177.654 177.300 0.085 0.000 1.208 190 P CA -0.133 63.035 63.100 0.113 0.000 0.777 190 P CB 0.525 32.278 31.700 0.088 0.000 0.875 191 E N 1.956 122.198 120.200 0.071 0.000 2.204 191 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 191 E C 1.638 178.273 176.600 0.058 0.000 0.990 191 E CA 0.879 57.317 56.400 0.064 0.000 0.821 191 E CB 0.060 29.793 29.700 0.054 0.000 0.750 191 E HN 0.368 nan 8.360 nan 0.000 0.477 192 R N -0.443 120.083 120.500 0.044 0.000 2.236 192 R HA 0.100 4.440 4.340 -0.000 0.000 0.208 192 R C 1.721 178.044 176.300 0.039 0.000 1.036 192 R CA 1.024 57.144 56.100 0.034 0.000 1.001 192 R CB -0.002 30.305 30.300 0.012 0.000 0.896 192 R HN 0.033 nan 8.270 nan 0.000 0.464 193 A N 1.063 123.915 122.820 0.053 0.000 2.308 193 A HA 0.223 4.543 4.320 -0.000 0.000 0.217 193 A C 0.287 177.932 177.584 0.102 0.000 1.216 193 A CA -0.518 51.562 52.037 0.072 0.000 0.864 193 A CB -0.013 19.049 19.000 0.103 0.000 0.902 193 A HN 0.164 nan 8.150 nan 0.000 0.499 194 R N -0.339 120.222 120.500 0.102 0.000 2.643 194 R HA 0.268 4.608 4.340 -0.000 0.000 0.270 194 R C -0.014 176.376 176.300 0.151 0.000 1.061 194 R CA 0.556 56.730 56.100 0.123 0.000 1.107 194 R CB 0.634 31.000 30.300 0.111 0.000 0.999 194 R HN 0.226 nan 8.270 nan 0.000 0.460 195 V N 0.191 120.211 119.914 0.177 0.000 2.592 195 V HA 0.226 4.346 4.120 -0.000 0.000 0.278 195 V C -1.945 174.271 176.094 0.204 0.000 1.087 195 V CA -1.253 61.169 62.300 0.203 0.000 1.282 195 V CB 0.777 32.732 31.823 0.219 0.000 1.543 195 V HN 0.711 nan 8.190 nan 0.000 0.606 196 P HA -0.197 nan 4.420 nan 0.000 0.218 196 P C 1.597 179.034 177.300 0.229 0.000 1.148 196 P CA 1.849 65.109 63.100 0.267 0.000 0.822 196 P CB 0.298 32.094 31.700 0.161 0.000 0.784 197 E N 0.881 121.166 120.200 0.142 0.000 2.219 197 E HA -0.177 4.173 4.350 -0.000 0.000 0.198 197 E C 1.895 178.493 176.600 -0.003 0.000 0.998 197 E CA 1.029 57.475 56.400 0.078 0.000 0.818 197 E CB -1.260 28.488 29.700 0.080 0.000 0.741 197 E HN 0.326 nan 8.360 nan 0.000 0.477 198 L N -0.401 120.782 121.223 -0.066 0.000 2.551 198 L HA -0.045 4.295 4.340 -0.000 0.000 0.228 198 L C 1.469 178.186 176.870 -0.254 0.000 1.153 198 L CA 0.742 55.448 54.840 -0.224 0.000 0.851 198 L CB -0.368 41.508 42.059 -0.305 0.000 0.959 198 L HN 0.067 nan 8.230 nan 0.000 0.451 199 Y N -0.430 119.871 120.300 0.000 0.000 2.497 199 Y HA 0.102 4.652 4.550 -0.000 0.000 0.265 199 Y C 0.879 176.780 175.900 0.002 0.000 1.111 199 Y CA -0.422 57.686 58.100 0.013 0.000 1.288 199 Y CB 0.291 38.769 38.460 0.030 0.000 1.082 199 Y HN 0.111 nan 8.280 nan 0.000 0.536 200 E N 1.170 121.451 120.200 0.135 0.000 2.070 200 E HA 0.263 4.613 4.350 -0.000 0.000 0.282 200 E C -0.238 176.384 176.600 0.037 0.000 1.104 200 E CA 0.095 56.544 56.400 0.081 0.000 0.876 200 E CB 0.709 30.450 29.700 0.067 0.000 1.055 200 E HN -0.062 nan 8.360 nan 0.000 0.401 201 T N 1.756 116.332 114.554 0.037 0.000 2.957 201 T HA 0.099 4.449 4.350 -0.000 0.000 0.336 201 T C -1.471 173.239 174.700 0.017 0.000 1.462 201 T CA -0.872 61.235 62.100 0.013 0.000 1.073 201 T CB 1.030 69.893 68.868 -0.008 0.000 1.319 201 T HN 0.487 nan 8.240 nan 0.000 0.485 202 D N 2.310 122.715 120.400 0.008 0.000 2.559 202 D HA 0.267 4.907 4.640 -0.000 0.000 0.234 202 D C -0.023 176.279 176.300 0.004 0.000 1.226 202 D CA -0.128 53.877 54.000 0.010 0.000 0.830 202 D CB 0.075 40.881 40.800 0.010 0.000 1.028 202 D HN 0.268 nan 8.370 nan 0.000 0.492 203 V N 1.467 121.379 119.914 -0.003 0.000 2.370 203 V HA 0.374 4.494 4.120 -0.000 0.000 0.283 203 V C -2.115 173.978 176.094 -0.001 0.000 1.023 203 V CA -1.630 60.664 62.300 -0.009 0.000 0.857 203 V CB 1.620 33.425 31.823 -0.029 0.000 0.985 203 V HN 0.002 nan 8.190 nan 0.000 0.443 204 P HA 0.206 nan 4.420 nan 0.000 0.269 204 P C -2.575 174.734 177.300 0.014 0.000 1.209 204 P CA -1.085 62.023 63.100 0.015 0.000 0.776 204 P CB -0.225 31.484 31.700 0.016 0.000 0.876 205 P HA -0.035 nan 4.420 nan 0.000 0.259 205 P C -0.350 176.963 177.300 0.022 0.000 1.163 205 P CA 0.745 63.862 63.100 0.028 0.000 0.760 205 P CB 0.252 31.979 31.700 0.046 0.000 0.762 206 R N 3.686 124.194 120.500 0.015 0.000 2.522 206 R HA 0.231 4.571 4.340 -0.000 0.000 0.290 206 R C 0.306 176.622 176.300 0.028 0.000 1.216 206 R CA -0.486 55.626 56.100 0.020 0.000 1.250 206 R CB 0.385 30.692 30.300 0.012 0.000 1.143 206 R HN 0.359 nan 8.270 nan 0.000 0.553 207 R N 2.047 122.568 120.500 0.035 0.000 2.343 207 R HA 0.040 4.380 4.340 -0.000 0.000 0.326 207 R C 0.147 176.472 176.300 0.041 0.000 1.055 207 R CA -0.231 55.893 56.100 0.040 0.000 0.961 207 R CB 0.338 30.666 30.300 0.046 0.000 0.978 207 R HN 0.127 nan 8.270 nan 0.000 0.443 208 R N 1.830 122.354 120.500 0.039 0.000 2.458 208 R HA 0.061 4.401 4.340 -0.000 0.000 0.303 208 R C 0.007 176.329 176.300 0.037 0.000 1.013 208 R CA 0.540 56.665 56.100 0.042 0.000 1.026 208 R CB 0.540 30.864 30.300 0.039 0.000 0.948 208 R HN 0.751 nan 8.270 nan 0.000 0.417 209 G N 2.088 110.913 108.800 0.041 0.000 2.521 209 G HA2 0.587 4.547 3.960 -0.000 0.000 0.323 209 G HA3 0.587 4.547 3.960 -0.000 0.000 0.323 209 G C -0.896 174.023 174.900 0.031 0.000 1.211 209 G CA -0.435 44.691 45.100 0.043 0.000 0.979 209 G HN 0.872 nan 8.290 nan 0.000 0.490 210 A N 0.313 123.156 122.820 0.037 0.000 2.586 210 A HA 0.214 4.534 4.320 -0.000 0.000 0.231 210 A C 1.743 179.347 177.584 0.034 0.000 1.055 210 A CA 0.223 52.276 52.037 0.027 0.000 0.756 210 A CB 0.294 19.328 19.000 0.056 0.000 0.988 210 A HN 0.607 nan 8.150 nan 0.000 0.509 211 K N 2.347 122.747 120.400 0.001 0.000 1.969 211 K HA -0.144 4.175 4.320 -0.000 0.000 0.216 211 K C 1.979 178.597 176.600 0.031 0.000 1.048 211 K CA 1.937 58.221 56.287 -0.006 0.000 0.948 211 K CB -0.857 31.610 32.500 -0.054 0.000 0.726 211 K HN 0.889 nan 8.250 nan 0.000 0.442 212 G N 0.464 109.289 108.800 0.041 0.000 2.916 212 G HA2 0.198 4.158 3.960 -0.000 0.000 0.205 212 G HA3 0.198 4.158 3.960 -0.000 0.000 0.205 212 G C 0.318 175.359 174.900 0.234 0.000 1.163 212 G CA 0.731 45.899 45.100 0.114 0.000 0.821 212 G HN 0.577 nan 8.290 nan 0.000 0.515 213 G N -2.046 106.849 108.800 0.158 0.000 2.697 213 G HA2 0.432 4.392 3.960 -0.000 0.000 0.686 213 G HA3 0.432 4.392 3.960 -0.000 0.000 0.686 213 G C 0.146 175.098 174.900 0.087 0.000 1.179 213 G CA -0.384 44.773 45.100 0.094 0.000 0.765 213 G HN 0.989 nan 8.290 nan 0.000 0.649 214 G N -0.278 108.557 108.800 0.059 0.000 2.415 214 G HA2 0.779 4.739 3.960 -0.000 0.000 0.269 214 G HA3 0.779 4.739 3.960 -0.000 0.000 0.269 214 G C 0.489 175.407 174.900 0.030 0.000 1.209 214 G CA 0.423 45.567 45.100 0.072 0.000 0.835 214 G HN 1.758 nan 8.290 nan 0.000 0.534 215 G N 1.353 110.187 108.800 0.056 0.000 2.666 215 G HA2 0.420 4.380 3.960 -0.000 0.000 0.303 215 G HA3 0.420 4.380 3.960 -0.000 0.000 0.303 215 G C 0.776 175.662 174.900 -0.023 0.000 1.412 215 G CA -0.632 44.455 45.100 -0.021 0.000 0.979 215 G HN 0.831 nan 8.290 nan 0.000 0.507 216 W N 3.464 124.763 121.300 -0.001 0.000 2.341 216 W HA -0.158 4.502 4.660 -0.000 0.000 0.283 216 W C 0.803 177.286 176.519 -0.060 0.000 1.215 216 W CA 0.618 57.955 57.345 -0.013 0.000 1.211 216 W CB -0.544 28.900 29.460 -0.027 0.000 1.131 216 W HN 0.404 nan 8.180 nan 0.000 0.552 217 I N 0.249 120.154 120.570 -1.109 0.000 2.202 217 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 217 I C 2.383 178.114 176.117 -0.643 0.000 1.091 217 I CA 1.694 62.272 61.300 -1.203 0.000 1.368 217 I CB -1.162 35.894 38.000 -1.574 0.000 1.058 217 I HN -0.171 nan 8.210 nan 0.000 0.410 218 F N 1.339 121.173 119.950 -0.194 0.000 2.293 218 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 218 F C 2.218 178.029 175.800 0.017 0.000 1.089 218 F CA 0.813 58.778 58.000 -0.058 0.000 1.377 218 F CB -0.813 38.172 39.000 -0.024 0.000 1.051 218 F HN 0.052 nan 8.300 nan 0.000 0.511 219 D N 0.531 121.039 120.400 0.180 0.000 2.097 219 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 219 D C 2.399 178.791 176.300 0.153 0.000 0.989 219 D CA 1.547 55.650 54.000 0.171 0.000 0.827 219 D CB -0.682 40.222 40.800 0.173 0.000 0.966 219 D HN 0.219 nan 8.370 nan 0.000 0.456 220 A N 0.787 123.694 122.820 0.145 0.000 1.902 220 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 220 A C 2.175 179.819 177.584 0.100 0.000 1.181 220 A CA 1.203 53.324 52.037 0.139 0.000 0.623 220 A CB -0.801 18.313 19.000 0.190 0.000 0.818 220 A HN 0.266 nan 8.150 nan 0.000 0.443 221 L N 0.292 121.553 121.223 0.064 0.000 2.079 221 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 221 L C 1.888 178.820 176.870 0.104 0.000 1.081 221 L CA 2.875 57.752 54.840 0.063 0.000 0.752 221 L CB -0.653 41.445 42.059 0.064 0.000 0.896 221 L HN 0.489 nan 8.230 nan 0.000 0.433 222 D N -0.797 119.693 120.400 0.150 0.000 2.097 222 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 222 D C 2.307 178.764 176.300 0.261 0.000 0.984 222 D CA 1.373 55.492 54.000 0.199 0.000 0.826 222 D CB -0.002 40.937 40.800 0.232 0.000 0.973 222 D HN 0.273 nan 8.370 nan 0.000 0.460 223 R N -0.116 120.510 120.500 0.210 0.000 2.096 223 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 223 R C 2.343 178.750 176.300 0.178 0.000 1.127 223 R CA 1.180 57.397 56.100 0.195 0.000 0.968 223 R CB -0.309 30.070 30.300 0.131 0.000 0.861 223 R HN 0.190 nan 8.270 nan 0.000 0.440 224 A N 1.032 123.931 122.820 0.132 0.000 1.902 224 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 224 A C 2.131 179.786 177.584 0.117 0.000 1.181 224 A CA 1.193 53.292 52.037 0.104 0.000 0.623 224 A CB -0.511 18.523 19.000 0.057 0.000 0.818 224 A HN 0.194 nan 8.150 nan 0.000 0.443 225 L N -1.468 119.810 121.223 0.092 0.000 2.093 225 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 225 L C 2.626 179.510 176.870 0.025 0.000 1.085 225 L CA 1.176 56.046 54.840 0.050 0.000 0.755 225 L CB -0.716 41.321 42.059 -0.037 0.000 0.904 225 L HN 0.476 nan 8.230 nan 0.000 0.435 226 H N -0.370 118.760 119.070 0.099 0.000 2.387 226 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 226 H C 2.202 177.587 175.328 0.094 0.000 1.090 226 H CA 1.526 57.627 56.048 0.087 0.000 1.332 226 H CB -0.164 29.649 29.762 0.085 0.000 1.386 226 H HN 0.376 nan 8.280 nan 0.000 0.516 227 G N -0.182 108.748 108.800 0.217 0.000 2.402 227 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 227 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 227 G C 1.621 176.642 174.900 0.202 0.000 1.162 227 G CA 0.442 45.646 45.100 0.175 0.000 0.777 227 G HN 0.383 nan 8.290 nan 0.000 0.539 228 Y N 1.055 121.400 120.300 0.075 0.000 2.274 228 Y HA -0.112 4.438 4.550 -0.000 0.000 0.290 228 Y C 2.857 178.859 175.900 0.171 0.000 1.145 228 Y CA 1.725 59.889 58.100 0.106 0.000 1.203 228 Y CB -0.270 38.229 38.460 0.066 0.000 0.984 228 Y HN 0.286 nan 8.280 nan 0.000 0.533 229 Q N 0.704 120.541 119.800 0.062 0.000 2.170 229 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 229 Q C 1.769 177.797 176.000 0.047 0.000 0.976 229 Q CA 1.819 57.589 55.803 -0.054 0.000 0.858 229 Q CB -0.130 28.564 28.738 -0.073 0.000 0.907 229 Q HN 0.411 nan 8.270 nan 0.000 0.433 230 K N -0.697 119.744 120.400 0.067 0.000 2.418 230 K HA 0.108 4.428 4.320 -0.000 0.000 0.195 230 K C 0.025 176.626 176.600 0.000 0.000 1.035 230 K CA -0.111 56.200 56.287 0.039 0.000 1.003 230 K CB 0.158 32.685 32.500 0.046 0.000 0.793 230 K HN 0.201 nan 8.250 nan 0.000 0.494 231 L N 1.005 122.217 121.223 -0.019 0.000 2.464 231 L HA -0.024 4.315 4.340 -0.000 0.000 0.264 231 L C 1.746 178.420 176.870 -0.327 0.000 1.199 231 L CA -0.272 54.473 54.840 -0.159 0.000 0.818 231 L CB 1.016 42.951 42.059 -0.207 0.000 1.102 231 L HN 0.125 nan 8.230 nan 0.000 0.473 232 S N 0.653 116.174 115.700 -0.298 0.000 2.377 232 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 232 S C 0.557 174.889 174.600 -0.446 0.000 1.030 232 S CA 0.310 58.340 58.200 -0.283 0.000 0.970 232 S CB -0.321 62.778 63.200 -0.168 0.000 0.830 232 S HN 0.478 nan 8.310 nan 0.000 0.473 233 V N 0.441 120.063 119.914 -0.487 0.000 2.532 233 V HA 0.704 4.824 4.120 -0.000 0.000 0.295 233 V C -1.276 174.418 176.094 -0.667 0.000 1.041 233 V CA -0.948 61.092 62.300 -0.435 0.000 0.926 233 V CB 0.823 32.519 31.823 -0.212 0.000 0.992 233 V HN 0.443 nan 8.190 nan 0.000 0.457 234 H N 3.547 122.535 119.070 -0.137 0.000 2.917 234 H HA 0.507 5.063 4.556 -0.000 0.000 0.279 234 H C -2.796 172.561 175.328 0.048 0.000 1.211 234 H CA -1.523 54.464 56.048 -0.102 0.000 1.534 234 H CB 1.215 30.828 29.762 -0.248 0.000 1.581 234 H HN 0.590 nan 8.280 nan 0.000 0.510 235 P HA -0.054 nan 4.420 nan 0.000 0.263 235 P C -0.161 177.275 177.300 0.227 0.000 1.195 235 P CA 0.308 63.431 63.100 0.038 0.000 0.762 235 P CB 0.159 31.914 31.700 0.091 0.000 0.799 236 F N -0.051 119.982 119.950 0.139 0.000 2.748 236 F HA -0.260 4.266 4.527 -0.000 0.000 0.370 236 F C 1.836 177.809 175.800 0.288 0.000 0.620 236 F CA 1.174 59.288 58.000 0.190 0.000 1.233 236 F CB -1.578 37.489 39.000 0.112 0.000 1.708 236 F HN 0.344 nan 8.300 nan 0.000 0.298 237 R N 1.077 121.763 120.500 0.310 0.000 2.075 237 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 237 R C 2.265 178.623 176.300 0.097 0.000 1.126 237 R CA 1.798 58.010 56.100 0.186 0.000 0.963 237 R CB -0.248 30.113 30.300 0.102 0.000 0.858 237 R HN 0.432 nan 8.270 nan 0.000 0.435 238 R N -0.003 120.548 120.500 0.085 0.000 2.091 238 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 238 R C 2.078 178.430 176.300 0.087 0.000 1.136 238 R CA 1.730 57.861 56.100 0.052 0.000 0.959 238 R CB -0.355 29.964 30.300 0.031 0.000 0.856 238 R HN 0.363 nan 8.270 nan 0.000 0.437 239 A N 0.343 123.275 122.820 0.187 0.000 1.972 239 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 239 A C 2.274 179.962 177.584 0.173 0.000 1.169 239 A CA 1.586 53.775 52.037 0.253 0.000 0.635 239 A CB -0.583 18.680 19.000 0.439 0.000 0.810 239 A HN 0.534 nan 8.150 nan 0.000 0.446 240 A N -0.173 122.680 122.820 0.054 0.000 1.930 240 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 240 A C 1.892 179.337 177.584 -0.232 0.000 1.175 240 A CA 1.512 53.309 52.037 -0.399 0.000 0.627 240 A CB -0.461 18.163 19.000 -0.628 0.000 0.815 240 A HN 0.617 nan 8.150 nan 0.000 0.443 241 E N -0.262 119.865 120.200 -0.123 0.000 2.110 241 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 241 E C 1.823 178.387 176.600 -0.059 0.000 0.988 241 E CA 1.226 57.565 56.400 -0.103 0.000 0.804 241 E CB -0.282 29.372 29.700 -0.076 0.000 0.745 241 E HN 0.702 nan 8.360 nan 0.000 0.458 242 I N 0.737 121.297 120.570 -0.017 0.000 2.252 242 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 242 I C 2.497 178.629 176.117 0.025 0.000 1.102 242 I CA 0.992 62.303 61.300 0.019 0.000 1.385 242 I CB -0.204 37.826 38.000 0.049 0.000 1.064 242 I HN 0.033 nan 8.210 nan 0.000 0.414 243 R N 0.724 121.224 120.500 0.001 0.000 2.083 243 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 243 R C 2.439 178.749 176.300 0.016 0.000 1.137 243 R CA 1.701 57.805 56.100 0.007 0.000 0.951 243 R CB -0.530 29.728 30.300 -0.070 0.000 0.851 243 R HN 0.390 nan 8.270 nan 0.000 0.434 244 A N 1.245 124.025 122.820 -0.067 0.000 1.873 244 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 244 A C 2.115 179.730 177.584 0.052 0.000 1.186 244 A CA 1.058 53.056 52.037 -0.066 0.000 0.616 244 A CB -0.541 18.355 19.000 -0.174 0.000 0.823 244 A HN 0.256 nan 8.150 nan 0.000 0.442 245 L N 0.216 121.453 121.223 0.023 0.000 2.012 245 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 245 L C 1.621 178.557 176.870 0.110 0.000 1.073 245 L CA 2.694 57.563 54.840 0.048 0.000 0.748 245 L CB -0.692 41.379 42.059 0.020 0.000 0.891 245 L HN 0.345 nan 8.230 nan 0.000 0.431 246 D N -1.392 119.077 120.400 0.115 0.000 2.144 246 D HA -0.243 4.397 4.640 -0.000 0.000 0.199 246 D C 1.774 178.170 176.300 0.160 0.000 0.984 246 D CA 1.449 55.521 54.000 0.120 0.000 0.834 246 D CB -0.462 40.399 40.800 0.101 0.000 0.955 246 D HN 0.596 nan 8.370 nan 0.000 0.465 247 W N 1.364 122.673 121.300 0.015 0.000 2.358 247 W HA -0.122 4.538 4.660 -0.000 0.000 0.303 247 W C 2.044 178.621 176.519 0.096 0.000 1.208 247 W CA 1.131 58.493 57.345 0.027 0.000 1.274 247 W CB -0.256 29.197 29.460 -0.012 0.000 1.138 247 W HN -0.078 nan 8.180 nan 0.000 0.515 248 L N -0.189 121.301 121.223 0.445 0.000 2.027 248 L HA -0.236 4.104 4.340 -0.000 0.000 0.206 248 L C 2.489 179.658 176.870 0.498 0.000 1.074 248 L CA 1.165 56.285 54.840 0.467 0.000 0.745 248 L CB -1.090 41.075 42.059 0.176 0.000 0.898 248 L HN 0.038 nan 8.230 nan 0.000 0.433 249 L N -0.383 121.008 121.223 0.280 0.000 2.012 249 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 249 L C 2.514 179.445 176.870 0.102 0.000 1.073 249 L CA 1.413 56.378 54.840 0.208 0.000 0.748 249 L CB -0.539 41.594 42.059 0.122 0.000 0.891 249 L HN 0.284 nan 8.230 nan 0.000 0.431 250 E N -0.159 120.042 120.200 0.002 0.000 2.160 250 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 250 E C 2.081 178.534 176.600 -0.245 0.000 0.991 250 E CA 1.043 57.357 56.400 -0.144 0.000 0.810 250 E CB 0.040 29.591 29.700 -0.248 0.000 0.742 250 E HN 0.392 nan 8.360 nan 0.000 0.466 251 R N 0.299 120.674 120.500 -0.208 0.000 2.362 251 R HA 0.106 4.445 4.340 -0.000 0.000 0.227 251 R C 0.424 176.729 176.300 0.008 0.000 0.905 251 R CA -0.195 55.793 56.100 -0.187 0.000 1.067 251 R CB 0.363 30.424 30.300 -0.399 0.000 1.078 251 R HN 0.102 nan 8.270 nan 0.000 0.516 252 Q N 1.348 121.037 119.800 -0.185 0.000 2.283 252 Q HA 0.092 4.432 4.340 -0.000 0.000 0.301 252 Q C -0.584 175.163 176.000 -0.421 0.000 1.063 252 Q CA -0.192 55.135 55.803 -0.793 0.000 0.952 252 Q CB 0.779 29.023 28.738 -0.823 0.000 1.166 252 Q HN 0.201 nan 8.270 nan 0.000 0.381 253 A N 3.134 125.648 122.820 -0.509 0.000 2.346 253 A HA 0.366 4.686 4.320 -0.000 0.000 0.252 253 A C 1.142 178.545 177.584 -0.301 0.000 1.089 253 A CA 0.161 52.008 52.037 -0.316 0.000 0.797 253 A CB 0.384 19.224 19.000 -0.267 0.000 1.047 253 A HN 1.017 nan 8.150 nan 0.000 0.494 254 G N 0.043 108.714 108.800 -0.215 0.000 2.448 254 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 254 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 254 G C 0.696 175.517 174.900 -0.131 0.000 1.127 254 G CA 1.300 46.304 45.100 -0.159 0.000 0.766 254 G HN 0.882 nan 8.290 nan 0.000 0.552 255 D N -0.856 119.460 120.400 -0.140 0.000 2.349 255 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 255 D C 1.721 177.927 176.300 -0.156 0.000 1.029 255 D CA 0.755 54.708 54.000 -0.079 0.000 0.879 255 D CB -0.400 40.424 40.800 0.039 0.000 0.906 255 D HN 0.468 nan 8.370 nan 0.000 0.528 256 G N -0.024 108.596 108.800 -0.299 0.000 2.234 256 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.235 256 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.235 256 G C 0.525 174.965 174.900 -0.766 0.000 0.997 256 G CA 0.400 45.300 45.100 -0.335 0.000 0.623 256 G HN 0.831 nan 8.290 nan 0.000 0.514 257 S N -0.458 114.510 115.700 -1.220 0.000 2.634 257 S HA 0.590 5.060 4.470 -0.000 0.000 0.261 257 S C 0.057 174.102 174.600 -0.924 0.000 1.271 257 S CA -0.350 56.749 58.200 -1.836 0.000 0.985 257 S CB 0.992 63.133 63.200 -1.765 0.000 0.968 257 S HN 0.473 nan 8.310 nan 0.000 0.568 258 W N 0.202 121.257 121.300 -0.408 0.000 2.329 258 W HA 0.477 5.137 4.660 -0.000 0.000 0.312 258 W C 1.042 177.535 176.519 -0.043 0.000 1.054 258 W CA 0.067 57.366 57.345 -0.075 0.000 1.245 258 W CB 1.044 30.553 29.460 0.081 0.000 1.255 258 W HN 1.287 nan 8.180 nan 0.000 0.436 259 G N 1.959 110.817 108.800 0.096 0.000 2.166 259 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.260 259 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.260 259 G C 1.021 175.980 174.900 0.098 0.000 0.986 259 G CA 0.575 45.685 45.100 0.016 0.000 0.683 259 G HN 1.512 nan 8.290 nan 0.000 0.527 260 G N -0.914 107.926 108.800 0.068 0.000 2.203 260 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.263 260 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.263 260 G C 0.396 175.509 174.900 0.355 0.000 1.012 260 G CA 1.186 46.406 45.100 0.200 0.000 0.749 260 G HN 2.254 nan 8.290 nan 0.000 0.512 261 I N -4.988 115.755 120.570 0.289 0.000 2.730 261 I HA 0.573 4.743 4.170 -0.000 0.000 0.298 261 I C 1.028 177.351 176.117 0.343 0.000 1.089 261 I CA -1.165 60.322 61.300 0.313 0.000 1.041 261 I CB 1.676 39.793 38.000 0.195 0.000 1.235 261 I HN -0.046 nan 8.210 nan 0.000 0.423 262 Q N 3.615 123.563 119.800 0.247 0.000 2.061 262 Q HA -0.078 4.262 4.340 -0.000 0.000 0.204 262 Q C -1.011 174.826 176.000 -0.272 0.000 0.984 262 Q CA 2.446 58.232 55.803 -0.027 0.000 0.846 262 Q CB -1.104 27.501 28.738 -0.222 0.000 0.902 262 Q HN 0.671 nan 8.270 nan 0.000 0.421 263 P HA -0.088 nan 4.420 nan 0.000 0.213 263 P C -1.613 175.561 177.300 -0.211 0.000 1.170 263 P CA 2.133 65.017 63.100 -0.360 0.000 0.893 263 P CB -1.241 30.371 31.700 -0.146 0.000 0.784 264 P HA -0.183 nan 4.420 nan 0.000 0.220 264 P C 1.483 178.970 177.300 0.311 0.000 1.148 264 P CA 1.176 64.427 63.100 0.251 0.000 0.803 264 P CB -0.467 31.398 31.700 0.275 0.000 0.782 265 W N 0.854 122.281 121.300 0.211 0.000 2.333 265 W HA -0.161 4.498 4.660 -0.000 0.000 0.316 265 W C 1.941 178.661 176.519 0.335 0.000 1.215 265 W CA 0.958 58.535 57.345 0.387 0.000 1.278 265 W CB -1.492 28.189 29.460 0.368 0.000 1.154 265 W HN -0.160 nan 8.180 nan 0.000 0.486 266 F N -0.551 119.448 119.950 0.081 0.000 2.146 266 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 266 F C 2.248 178.036 175.800 -0.020 0.000 1.096 266 F CA 1.187 59.136 58.000 -0.085 0.000 1.275 266 F CB -1.695 37.195 39.000 -0.182 0.000 1.008 266 F HN -0.139 nan 8.300 nan 0.000 0.480 267 Y N -0.184 120.277 120.300 0.268 0.000 2.242 267 Y HA -0.008 4.542 4.550 -0.000 0.000 0.291 267 Y C 2.513 178.396 175.900 -0.028 0.000 1.137 267 Y CA 0.397 58.537 58.100 0.067 0.000 1.181 267 Y CB -1.568 36.912 38.460 0.034 0.000 0.989 267 Y HN 0.009 nan 8.280 nan 0.000 0.527 268 A N 0.083 122.908 122.820 0.010 0.000 1.930 268 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 268 A C 2.286 179.801 177.584 -0.115 0.000 1.175 268 A CA 1.317 53.158 52.037 -0.326 0.000 0.627 268 A CB -1.055 17.256 19.000 -1.148 0.000 0.815 268 A HN 0.455 nan 8.150 nan 0.000 0.443 269 L N -0.681 120.594 121.223 0.088 0.000 2.093 269 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 269 L C 2.423 179.424 176.870 0.219 0.000 1.085 269 L CA 1.130 56.093 54.840 0.203 0.000 0.755 269 L CB -0.469 41.667 42.059 0.129 0.000 0.904 269 L HN 0.371 nan 8.230 nan 0.000 0.435 270 I N -0.193 120.454 120.570 0.128 0.000 2.226 270 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 270 I C 2.799 178.967 176.117 0.084 0.000 1.100 270 I CA 1.104 62.457 61.300 0.088 0.000 1.374 270 I CB -0.456 37.589 38.000 0.075 0.000 1.057 270 I HN 0.188 nan 8.210 nan 0.000 0.413 271 A N 1.007 123.857 122.820 0.050 0.000 1.902 271 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 271 A C 2.289 179.884 177.584 0.019 0.000 1.181 271 A CA 1.498 53.536 52.037 0.002 0.000 0.623 271 A CB -0.872 18.093 19.000 -0.058 0.000 0.818 271 A HN 0.386 nan 8.150 nan 0.000 0.443 272 L N -0.876 120.388 121.223 0.069 0.000 2.093 272 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 272 L C 2.561 179.438 176.870 0.012 0.000 1.085 272 L CA 1.698 56.595 54.840 0.095 0.000 0.755 272 L CB -0.377 41.850 42.059 0.280 0.000 0.904 272 L HN 0.363 nan 8.230 nan 0.000 0.435 273 K N 1.527 121.943 120.400 0.027 0.000 2.032 273 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 273 K C 1.916 178.503 176.600 -0.022 0.000 1.048 273 K CA 1.860 58.093 56.287 -0.091 0.000 0.927 273 K CB -0.442 32.036 32.500 -0.036 0.000 0.712 273 K HN 0.483 nan 8.250 nan 0.000 0.441 274 I N -1.951 118.646 120.570 0.046 0.000 2.761 274 I HA -0.021 4.149 4.170 -0.000 0.000 0.261 274 I C 1.188 177.297 176.117 -0.013 0.000 1.198 274 I CA 0.898 62.225 61.300 0.045 0.000 1.482 274 I CB -0.198 37.839 38.000 0.061 0.000 1.100 274 I HN -0.016 nan 8.210 nan 0.000 0.445 275 L N 1.636 122.846 121.223 -0.021 0.000 2.610 275 L HA 0.047 4.387 4.340 -0.000 0.000 0.232 275 L C 0.394 177.245 176.870 -0.033 0.000 1.149 275 L CA 0.432 55.256 54.840 -0.027 0.000 0.872 275 L CB -0.832 41.216 42.059 -0.019 0.000 0.992 275 L HN 0.329 nan 8.230 nan 0.000 0.447 276 D N 0.486 120.853 120.400 -0.056 0.000 2.746 276 D HA -0.227 4.413 4.640 -0.000 0.000 0.236 276 D C 0.462 176.715 176.300 -0.079 0.000 1.129 276 D CA 0.905 54.859 54.000 -0.077 0.000 0.691 276 D CB -0.824 39.947 40.800 -0.050 0.000 1.077 276 D HN 0.326 nan 8.370 nan 0.000 0.432 277 M N -0.468 119.068 119.600 -0.107 0.000 2.685 277 M HA 0.090 4.569 4.480 -0.000 0.000 0.355 277 M C 1.778 177.984 176.300 -0.156 0.000 1.197 277 M CA 0.365 55.644 55.300 -0.035 0.000 0.947 277 M CB 0.490 33.117 32.600 0.046 0.000 1.346 277 M HN 0.147 nan 8.290 nan 0.000 0.516 278 T N -2.562 111.724 114.554 -0.447 0.000 3.007 278 T HA -0.071 4.279 4.350 -0.000 0.000 0.270 278 T C 1.539 176.109 174.700 -0.216 0.000 1.107 278 T CA 0.879 62.449 62.100 -0.883 0.000 1.118 278 T CB -0.005 68.310 68.868 -0.921 0.000 0.889 278 T HN 0.291 nan 8.240 nan 0.000 0.506 279 Q N 0.225 119.986 119.800 -0.065 0.000 2.392 279 Q HA 0.142 4.481 4.340 -0.000 0.000 0.203 279 Q C 0.472 176.541 176.000 0.116 0.000 0.917 279 Q CA 0.170 55.996 55.803 0.038 0.000 0.939 279 Q CB -0.285 28.454 28.738 0.002 0.000 1.063 279 Q HN 0.684 nan 8.270 nan 0.000 0.516 280 H N 3.014 122.136 119.070 0.086 0.000 2.764 280 H HA 0.034 4.590 4.556 -0.000 0.000 0.341 280 H C -1.507 173.939 175.328 0.197 0.000 1.072 280 H CA -1.602 54.525 56.048 0.132 0.000 1.444 280 H CB 1.418 31.265 29.762 0.141 0.000 1.458 280 H HN -0.127 nan 8.280 nan 0.000 0.572 281 P HA -0.151 nan 4.420 nan 0.000 0.219 281 P C 1.075 178.617 177.300 0.404 0.000 1.146 281 P CA 1.662 64.937 63.100 0.291 0.000 0.808 281 P CB 0.034 31.814 31.700 0.134 0.000 0.779 282 A N -0.520 122.657 122.820 0.595 0.000 1.902 282 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 282 A C 2.144 179.976 177.584 0.412 0.000 1.181 282 A CA 1.354 53.612 52.037 0.369 0.000 0.623 282 A CB -1.767 17.379 19.000 0.242 0.000 0.818 282 A HN 0.163 nan 8.150 nan 0.000 0.443 283 F N 0.438 120.579 119.950 0.317 0.000 2.146 283 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 283 F C 1.933 177.924 175.800 0.319 0.000 1.096 283 F CA 1.611 59.794 58.000 0.304 0.000 1.275 283 F CB -0.166 38.956 39.000 0.204 0.000 1.008 283 F HN 0.169 nan 8.300 nan 0.000 0.480 284 I N 0.217 121.059 120.570 0.453 0.000 2.179 284 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 284 I C 2.333 178.606 176.117 0.260 0.000 1.088 284 I CA 1.553 63.068 61.300 0.359 0.000 1.357 284 I CB -0.479 37.704 38.000 0.304 0.000 1.051 284 I HN 0.029 nan 8.210 nan 0.000 0.409 285 K N 1.446 121.976 120.400 0.218 0.000 2.097 285 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 285 K C 1.952 178.662 176.600 0.184 0.000 1.050 285 K CA 1.524 57.907 56.287 0.161 0.000 0.938 285 K CB -0.753 31.808 32.500 0.101 0.000 0.718 285 K HN 0.284 nan 8.250 nan 0.000 0.442 286 G N 0.363 109.296 108.800 0.221 0.000 2.402 286 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 286 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 286 G C 1.418 176.576 174.900 0.430 0.000 1.162 286 G CA 0.682 46.021 45.100 0.397 0.000 0.777 286 G HN 0.518 nan 8.290 nan 0.000 0.539 287 W N 1.407 122.649 121.300 -0.097 0.000 2.379 287 W HA -0.037 4.622 4.660 -0.000 0.000 0.307 287 W C 2.096 178.633 176.519 0.030 0.000 1.200 287 W CA 1.458 58.697 57.345 -0.175 0.000 1.297 287 W CB -0.002 29.238 29.460 -0.367 0.000 1.140 287 W HN 0.347 nan 8.180 nan 0.000 0.507 288 E N -0.270 119.952 120.200 0.037 0.000 2.204 288 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 288 E C 2.341 178.961 176.600 0.033 0.000 0.989 288 E CA 1.020 57.395 56.400 -0.042 0.000 0.824 288 E CB -0.618 29.146 29.700 0.107 0.000 0.756 288 E HN 0.352 nan 8.360 nan 0.000 0.477 289 G N 1.053 109.963 108.800 0.183 0.000 2.509 289 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 289 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 289 G C 1.509 176.709 174.900 0.499 0.000 1.124 289 G CA 0.117 45.421 45.100 0.340 0.000 0.776 289 G HN 0.105 nan 8.290 nan 0.000 0.547 290 L N 0.226 121.611 121.223 0.269 0.000 2.127 290 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 290 L C 2.763 179.798 176.870 0.276 0.000 1.089 290 L CA 0.791 55.686 54.840 0.092 0.000 0.757 290 L CB -0.221 41.721 42.059 -0.193 0.000 0.899 290 L HN 0.114 nan 8.230 nan 0.000 0.434 291 E N 0.068 120.367 120.200 0.165 0.000 2.160 291 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 291 E C 2.126 178.883 176.600 0.262 0.000 0.991 291 E CA 1.041 57.556 56.400 0.193 0.000 0.810 291 E CB -0.316 29.442 29.700 0.097 0.000 0.742 291 E HN 0.322 nan 8.360 nan 0.000 0.466 292 L N -0.091 121.338 121.223 0.343 0.000 2.131 292 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 292 L C 1.644 178.758 176.870 0.406 0.000 1.092 292 L CA 1.580 56.657 54.840 0.396 0.000 0.759 292 L CB -0.349 41.986 42.059 0.461 0.000 0.903 292 L HN 0.051 nan 8.230 nan 0.000 0.435 293 Y N -0.611 119.740 120.300 0.085 0.000 2.482 293 Y HA 0.390 4.940 4.550 -0.000 0.000 0.270 293 Y C 1.605 177.191 175.900 -0.523 0.000 1.152 293 Y CA -0.325 57.638 58.100 -0.229 0.000 1.292 293 Y CB -0.684 37.436 38.460 -0.567 0.000 1.070 293 Y HN 0.129 nan 8.280 nan 0.000 0.528 294 G N 0.170 108.899 108.800 -0.118 0.000 2.476 294 G HA2 0.485 4.445 3.960 -0.000 0.000 0.269 294 G HA3 0.485 4.445 3.960 -0.000 0.000 0.269 294 G C -1.188 173.496 174.900 -0.359 0.000 1.195 294 G CA -0.196 44.715 45.100 -0.316 0.000 0.843 294 G HN -0.099 nan 8.290 nan 0.000 0.545 295 V N 1.299 120.787 119.914 -0.711 0.000 2.623 295 V HA 0.279 4.399 4.120 -0.000 0.000 0.304 295 V C -0.788 175.062 176.094 -0.407 0.000 1.054 295 V CA -0.962 61.067 62.300 -0.451 0.000 0.882 295 V CB 1.812 33.376 31.823 -0.432 0.000 1.002 295 V HN 0.766 nan 8.190 nan 0.000 0.424 296 E N 3.970 124.096 120.200 -0.124 0.000 2.259 296 E HA 0.551 4.901 4.350 -0.000 0.000 0.281 296 E C -0.684 175.822 176.600 -0.158 0.000 1.037 296 E CA -0.035 56.348 56.400 -0.028 0.000 0.854 296 E CB 1.033 30.753 29.700 0.033 0.000 1.051 296 E HN 0.528 nan 8.360 nan 0.000 0.409 297 L N 3.116 124.191 121.223 -0.246 0.000 2.343 297 L HA 0.228 4.568 4.340 -0.000 0.000 0.275 297 L C 1.520 178.183 176.870 -0.346 0.000 1.056 297 L CA -0.555 54.066 54.840 -0.365 0.000 0.804 297 L CB 1.018 42.690 42.059 -0.645 0.000 1.203 297 L HN 0.677 nan 8.230 nan 0.000 0.440 298 D N 1.229 121.496 120.400 -0.221 0.000 2.219 298 D HA -0.257 4.383 4.640 -0.000 0.000 0.205 298 D C 1.449 177.718 176.300 -0.051 0.000 0.970 298 D CA 1.378 55.322 54.000 -0.094 0.000 0.851 298 D CB -0.073 40.718 40.800 -0.015 0.000 0.943 298 D HN 0.713 nan 8.370 nan 0.000 0.488 299 Y N -0.865 119.410 120.300 -0.042 0.000 2.529 299 Y HA 0.447 4.997 4.550 -0.000 0.000 0.290 299 Y C 1.632 177.526 175.900 -0.011 0.000 1.177 299 Y CA -0.192 57.884 58.100 -0.041 0.000 1.305 299 Y CB -0.127 38.267 38.460 -0.109 0.000 1.047 299 Y HN 0.093 nan 8.280 nan 0.000 0.522 300 G N -0.648 108.039 108.800 -0.187 0.000 2.163 300 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.213 300 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.213 300 G C 0.575 175.422 174.900 -0.089 0.000 0.991 300 G CA -0.263 44.796 45.100 -0.068 0.000 0.653 300 G HN 0.936 nan 8.290 nan 0.000 0.518 301 G N -1.252 107.323 108.800 -0.373 0.000 2.537 301 G HA2 0.557 4.517 3.960 -0.000 0.000 0.297 301 G HA3 0.557 4.517 3.960 -0.000 0.000 0.297 301 G C -0.742 174.137 174.900 -0.035 0.000 1.310 301 G CA -0.397 44.635 45.100 -0.114 0.000 1.027 301 G HN 0.972 nan 8.290 nan 0.000 0.505 302 W N 0.406 121.603 121.300 -0.171 0.000 3.274 302 W HA 0.624 5.284 4.660 -0.000 0.000 0.327 302 W C -0.474 175.755 176.519 -0.483 0.000 1.172 302 W CA -1.039 56.149 57.345 -0.262 0.000 1.217 302 W CB 1.632 30.981 29.460 -0.185 0.000 1.376 302 W HN 0.711 nan 8.180 nan 0.000 0.507 303 M N 4.644 123.554 119.600 -1.150 0.000 2.690 303 M HA 0.714 5.193 4.480 -0.000 0.000 0.302 303 M C -2.085 173.287 176.300 -1.547 0.000 1.234 303 M CA -0.868 53.653 55.300 -1.299 0.000 0.853 303 M CB 2.891 34.959 32.600 -0.886 0.000 1.748 303 M HN 0.443 nan 8.290 nan 0.000 0.469 304 F N 1.410 120.709 119.950 -1.084 0.000 2.493 304 F HA 0.459 4.986 4.527 -0.000 0.000 0.329 304 F C -0.739 174.887 175.800 -0.290 0.000 1.126 304 F CA -0.311 57.262 58.000 -0.711 0.000 0.937 304 F CB 1.942 40.671 39.000 -0.451 0.000 1.146 304 F HN 0.675 nan 8.300 nan 0.000 0.442 305 Q N 4.897 124.336 119.800 -0.601 0.000 2.296 305 Q HA 0.354 4.694 4.340 -0.000 0.000 0.262 305 Q C 0.996 177.015 176.000 0.032 0.000 0.981 305 Q CA 0.149 55.813 55.803 -0.232 0.000 0.905 305 Q CB 1.676 30.276 28.738 -0.230 0.000 1.186 305 Q HN 0.937 nan 8.270 nan 0.000 0.399 306 A N 2.794 125.710 122.820 0.159 0.000 1.917 306 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 306 A C 1.116 178.873 177.584 0.289 0.000 1.182 306 A CA 1.925 54.116 52.037 0.256 0.000 0.633 306 A CB 0.124 19.306 19.000 0.303 0.000 0.819 306 A HN 0.597 nan 8.150 nan 0.000 0.448 307 S N -2.803 113.047 115.700 0.250 0.000 2.752 307 S HA 0.653 5.123 4.470 -0.000 0.000 0.284 307 S C -1.347 173.330 174.600 0.128 0.000 1.189 307 S CA -0.111 58.290 58.200 0.334 0.000 0.835 307 S CB 0.836 64.251 63.200 0.359 0.000 1.192 307 S HN 0.885 nan 8.310 nan 0.000 0.506 308 I N 0.185 120.760 120.570 0.008 0.000 2.647 308 I HA 0.685 4.855 4.170 -0.000 0.000 0.295 308 I C -0.008 175.774 176.117 -0.559 0.000 1.078 308 I CA -0.676 60.502 61.300 -0.203 0.000 1.048 308 I CB 2.481 40.214 38.000 -0.445 0.000 1.239 308 I HN 0.536 nan 8.210 nan 0.000 0.421 309 S N 2.032 117.387 115.700 -0.576 0.000 2.664 309 S HA 0.406 4.876 4.470 -0.000 0.000 0.245 309 S C -1.603 172.669 174.600 -0.547 0.000 1.019 309 S CA -0.702 56.897 58.200 -1.001 0.000 0.996 309 S CB -0.490 62.497 63.200 -0.356 0.000 0.878 309 S HN 0.685 nan 8.310 nan 0.000 0.493 310 P HA -0.056 nan 4.420 nan 0.000 0.217 310 P C 1.547 178.762 177.300 -0.142 0.000 1.150 310 P CA 0.860 63.639 63.100 -0.535 0.000 0.832 310 P CB -0.081 30.744 31.700 -1.459 0.000 0.787 311 V N -0.257 119.577 119.914 -0.134 0.000 2.307 311 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 311 V C 2.517 178.720 176.094 0.182 0.000 1.045 311 V CA 1.703 64.092 62.300 0.149 0.000 1.024 311 V CB -1.516 30.369 31.823 0.103 0.000 0.651 311 V HN 0.197 nan 8.190 nan 0.000 0.449 312 W N 1.260 122.522 121.300 -0.064 0.000 2.335 312 W HA -0.209 4.451 4.660 -0.000 0.000 0.311 312 W C 2.119 178.654 176.519 0.027 0.000 1.213 312 W CA 1.950 59.321 57.345 0.043 0.000 1.274 312 W CB -0.136 29.452 29.460 0.214 0.000 1.148 312 W HN 0.353 nan 8.180 nan 0.000 0.498 313 D N -0.365 120.106 120.400 0.118 0.000 2.178 313 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 313 D C 2.044 178.308 176.300 -0.059 0.000 0.980 313 D CA 1.923 55.939 54.000 0.026 0.000 0.842 313 D CB -0.555 40.368 40.800 0.206 0.000 0.948 313 D HN 0.148 nan 8.370 nan 0.000 0.472 314 T N -0.166 114.429 114.554 0.069 0.000 2.851 314 T HA -0.012 4.337 4.350 -0.000 0.000 0.262 314 T C 2.028 176.685 174.700 -0.072 0.000 1.043 314 T CA 1.212 63.401 62.100 0.148 0.000 1.140 314 T CB -0.465 68.564 68.868 0.269 0.000 0.872 314 T HN 0.218 nan 8.240 nan 0.000 0.446 315 G N 1.508 110.235 108.800 -0.122 0.000 2.440 315 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.218 315 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.218 315 G C 1.489 176.110 174.900 -0.465 0.000 1.154 315 G CA 0.519 45.465 45.100 -0.257 0.000 0.767 315 G HN 0.417 nan 8.290 nan 0.000 0.552 316 L N 0.514 121.375 121.223 -0.605 0.000 2.056 316 L HA 0.015 4.354 4.340 -0.000 0.000 0.207 316 L C 3.401 179.849 176.870 -0.703 0.000 1.078 316 L CA 0.936 55.324 54.840 -0.753 0.000 0.749 316 L CB -0.404 41.087 42.059 -0.946 0.000 0.901 316 L HN 0.300 nan 8.230 nan 0.000 0.433 317 A N -0.492 121.885 122.820 -0.738 0.000 1.972 317 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 317 A C 2.321 179.399 177.584 -0.844 0.000 1.169 317 A CA 1.511 52.957 52.037 -0.985 0.000 0.635 317 A CB -0.682 17.234 19.000 -1.807 0.000 0.810 317 A HN 0.214 nan 8.150 nan 0.000 0.446 318 V N -0.155 119.390 119.914 -0.615 0.000 2.358 318 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 318 V C 2.526 178.382 176.094 -0.396 0.000 1.047 318 V CA 1.844 63.911 62.300 -0.388 0.000 1.035 318 V CB -0.604 31.078 31.823 -0.233 0.000 0.658 318 V HN 0.581 nan 8.190 nan 0.000 0.452 319 L N -0.098 120.825 121.223 -0.500 0.000 2.027 319 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 319 L C 2.745 179.368 176.870 -0.413 0.000 1.074 319 L CA 1.524 56.040 54.840 -0.539 0.000 0.745 319 L CB -0.851 40.748 42.059 -0.767 0.000 0.898 319 L HN 0.335 nan 8.230 nan 0.000 0.433 320 A N 0.332 122.896 122.820 -0.426 0.000 1.851 320 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 320 A C 2.254 179.690 177.584 -0.248 0.000 1.195 320 A CA 1.724 53.566 52.037 -0.325 0.000 0.622 320 A CB -0.925 17.852 19.000 -0.372 0.000 0.831 320 A HN 0.351 nan 8.150 nan 0.000 0.444 321 L N -1.571 119.483 121.223 -0.282 0.000 2.131 321 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 321 L C 2.799 179.569 176.870 -0.167 0.000 1.092 321 L CA 1.524 56.241 54.840 -0.204 0.000 0.759 321 L CB -0.341 41.591 42.059 -0.210 0.000 0.903 321 L HN 0.355 nan 8.230 nan 0.000 0.435 322 R N 0.338 120.725 120.500 -0.188 0.000 2.057 322 R HA -0.068 4.272 4.340 -0.000 0.000 0.229 322 R C 2.298 178.524 176.300 -0.123 0.000 1.136 322 R CA 1.581 57.591 56.100 -0.150 0.000 0.952 322 R CB -0.639 29.552 30.300 -0.182 0.000 0.848 322 R HN 0.279 nan 8.270 nan 0.000 0.430 323 A N 0.158 122.892 122.820 -0.143 0.000 1.978 323 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 323 A C 2.298 179.841 177.584 -0.067 0.000 1.170 323 A CA 1.824 53.801 52.037 -0.101 0.000 0.636 323 A CB -0.952 17.983 19.000 -0.110 0.000 0.810 323 A HN 0.470 nan 8.150 nan 0.000 0.448 324 A N -2.030 120.748 122.820 -0.070 0.000 1.898 324 A HA 0.322 4.642 4.320 -0.000 0.000 0.216 324 A C 1.939 179.511 177.584 -0.021 0.000 1.181 324 A CA 2.105 54.122 52.037 -0.034 0.000 0.620 324 A CB -0.564 18.419 19.000 -0.028 0.000 0.819 324 A HN 1.656 nan 8.150 nan 0.000 0.442 325 G N -2.671 106.104 108.800 -0.041 0.000 3.272 325 G HA2 0.029 3.988 3.960 -0.000 0.000 0.219 325 G HA3 0.029 3.988 3.960 -0.000 0.000 0.219 325 G C 0.052 174.928 174.900 -0.039 0.000 0.952 325 G CA -0.179 44.905 45.100 -0.027 0.000 0.833 325 G HN 0.244 nan 8.290 nan 0.000 0.608 326 L N 2.257 123.433 121.223 -0.077 0.000 2.525 326 L HA 0.240 4.580 4.340 -0.000 0.000 0.278 326 L C -1.600 175.245 176.870 -0.041 0.000 1.218 326 L CA -1.137 53.641 54.840 -0.104 0.000 0.878 326 L CB 0.444 42.361 42.059 -0.238 0.000 1.127 326 L HN 0.004 nan 8.230 nan 0.000 0.492 327 P HA 0.042 nan 4.420 nan 0.000 0.272 327 P C 0.214 177.541 177.300 0.045 0.000 1.230 327 P CA -0.275 62.846 63.100 0.035 0.000 0.788 327 P CB 0.712 32.449 31.700 0.061 0.000 0.949 328 A N 2.038 124.875 122.820 0.028 0.000 2.032 328 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 328 A C 1.117 178.732 177.584 0.052 0.000 1.165 328 A CA 2.155 54.209 52.037 0.028 0.000 0.645 328 A CB -1.107 17.904 19.000 0.018 0.000 0.807 328 A HN 0.679 nan 8.150 nan 0.000 0.453 329 D N -2.422 118.016 120.400 0.063 0.000 2.538 329 D HA 0.040 4.680 4.640 -0.000 0.000 0.231 329 D C 0.251 176.593 176.300 0.070 0.000 1.229 329 D CA -0.510 53.525 54.000 0.057 0.000 0.828 329 D CB -1.068 39.752 40.800 0.033 0.000 1.035 329 D HN 0.504 nan 8.370 nan 0.000 0.495 330 H N 2.203 121.279 119.070 0.010 0.000 3.070 330 H HA -0.033 4.523 4.556 -0.000 0.000 0.313 330 H C 0.453 175.789 175.328 0.013 0.000 0.997 330 H CA 0.699 56.754 56.048 0.011 0.000 1.438 330 H CB 1.173 30.944 29.762 0.016 0.000 1.455 330 H HN 0.065 nan 8.280 nan 0.000 0.575 331 D N 4.158 124.406 120.400 -0.253 0.000 2.350 331 D HA -0.124 4.515 4.640 -0.000 0.000 0.216 331 D C 1.519 177.794 176.300 -0.041 0.000 0.968 331 D CA 0.490 54.419 54.000 -0.119 0.000 0.894 331 D CB 0.157 40.873 40.800 -0.141 0.000 0.909 331 D HN 0.335 nan 8.370 nan 0.000 0.520 332 R N 0.092 120.619 120.500 0.045 0.000 2.119 332 R HA 0.167 4.507 4.340 -0.000 0.000 0.222 332 R C 2.246 178.647 176.300 0.168 0.000 1.088 332 R CA 0.330 56.507 56.100 0.129 0.000 0.984 332 R CB -0.519 29.923 30.300 0.238 0.000 0.884 332 R HN 0.350 nan 8.270 nan 0.000 0.447 333 L N 0.827 122.196 121.223 0.242 0.000 2.179 333 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 333 L C 2.472 179.416 176.870 0.123 0.000 1.096 333 L CA 0.728 55.675 54.840 0.179 0.000 0.779 333 L CB -0.668 41.475 42.059 0.140 0.000 0.922 333 L HN -0.002 nan 8.230 nan 0.000 0.443 334 V N -2.108 117.864 119.914 0.096 0.000 2.358 334 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 334 V C 2.446 178.587 176.094 0.079 0.000 1.047 334 V CA 1.468 63.812 62.300 0.073 0.000 1.035 334 V CB -0.603 31.247 31.823 0.045 0.000 0.658 334 V HN 0.339 nan 8.190 nan 0.000 0.452 335 K N 0.528 120.964 120.400 0.059 0.000 2.103 335 K HA -0.103 4.216 4.320 -0.000 0.000 0.207 335 K C 2.311 178.973 176.600 0.104 0.000 1.048 335 K CA 1.697 58.015 56.287 0.052 0.000 0.930 335 K CB -0.464 32.023 32.500 -0.022 0.000 0.716 335 K HN 0.665 nan 8.250 nan 0.000 0.444 336 A N 0.413 123.301 122.820 0.114 0.000 1.897 336 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 336 A C 2.346 180.085 177.584 0.259 0.000 1.181 336 A CA 1.690 53.840 52.037 0.190 0.000 0.620 336 A CB -0.825 18.336 19.000 0.269 0.000 0.821 336 A HN 0.420 nan 8.150 nan 0.000 0.443 337 G N -0.318 108.590 108.800 0.180 0.000 2.422 337 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 337 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 337 G C 1.403 176.403 174.900 0.167 0.000 1.146 337 G CA 0.946 46.135 45.100 0.148 0.000 0.769 337 G HN 0.640 nan 8.290 nan 0.000 0.547 338 E N -0.891 119.411 120.200 0.170 0.000 2.208 338 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 338 E C 2.014 178.737 176.600 0.205 0.000 0.988 338 E CA 0.323 56.816 56.400 0.155 0.000 0.828 338 E CB -0.132 29.641 29.700 0.122 0.000 0.763 338 E HN 0.655 nan 8.360 nan 0.000 0.478 339 W N 1.701 123.045 121.300 0.074 0.000 2.379 339 W HA -0.127 4.533 4.660 -0.000 0.000 0.307 339 W C 1.797 178.377 176.519 0.102 0.000 1.200 339 W CA 1.166 58.566 57.345 0.092 0.000 1.297 339 W CB -0.219 29.315 29.460 0.123 0.000 1.140 339 W HN -0.075 nan 8.180 nan 0.000 0.507 340 L N 0.316 121.754 121.223 0.359 0.000 2.043 340 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 340 L C 2.534 179.485 176.870 0.136 0.000 1.075 340 L CA 1.471 56.405 54.840 0.157 0.000 0.752 340 L CB -1.175 40.958 42.059 0.122 0.000 0.891 340 L HN 0.098 nan 8.230 nan 0.000 0.432 341 L N -0.420 120.886 121.223 0.139 0.000 2.043 341 L HA -0.277 4.062 4.340 -0.000 0.000 0.212 341 L C 2.084 178.987 176.870 0.055 0.000 1.075 341 L CA 1.254 56.177 54.840 0.139 0.000 0.752 341 L CB -0.665 41.455 42.059 0.101 0.000 0.891 341 L HN 0.303 nan 8.230 nan 0.000 0.432 342 D N -0.425 119.950 120.400 -0.042 0.000 2.350 342 D HA -0.100 4.539 4.640 -0.000 0.000 0.216 342 D C 2.109 178.287 176.300 -0.204 0.000 0.968 342 D CA 0.684 54.605 54.000 -0.132 0.000 0.894 342 D CB 0.008 40.700 40.800 -0.180 0.000 0.909 342 D HN 0.261 nan 8.370 nan 0.000 0.520 343 R N 0.202 120.587 120.500 -0.191 0.000 2.280 343 R HA 0.089 4.429 4.340 -0.000 0.000 0.195 343 R C 0.903 177.108 176.300 -0.159 0.000 0.935 343 R CA -0.147 55.838 56.100 -0.192 0.000 1.033 343 R CB -0.083 30.079 30.300 -0.230 0.000 0.964 343 R HN 0.309 nan 8.270 nan 0.000 0.489 344 Q N 1.247 120.902 119.800 -0.241 0.000 2.361 344 Q HA 0.108 4.448 4.340 -0.000 0.000 0.276 344 Q C -0.686 175.003 176.000 -0.518 0.000 1.022 344 Q CA 0.370 55.677 55.803 -0.826 0.000 0.898 344 Q CB 0.537 28.897 28.738 -0.631 0.000 1.246 344 Q HN 0.087 nan 8.270 nan 0.000 0.410 345 I N 2.938 123.162 120.570 -0.577 0.000 2.354 345 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 345 I C 0.768 176.710 176.117 -0.291 0.000 0.989 345 I CA -0.332 60.749 61.300 -0.365 0.000 1.188 345 I CB 1.693 39.491 38.000 -0.338 0.000 1.342 345 I HN 0.772 nan 8.210 nan 0.000 0.457 346 T N 2.230 116.675 114.554 -0.181 0.000 3.134 346 T HA 0.274 4.624 4.350 -0.000 0.000 0.260 346 T C 0.143 174.827 174.700 -0.027 0.000 1.027 346 T CA -0.338 61.702 62.100 -0.100 0.000 0.913 346 T CB -0.386 68.432 68.868 -0.084 0.000 1.046 346 T HN 0.343 nan 8.240 nan 0.000 0.553 347 V N -1.547 118.356 119.914 -0.019 0.000 2.769 347 V HA 0.794 4.914 4.120 -0.000 0.000 0.312 347 V C -2.991 173.161 176.094 0.097 0.000 1.058 347 V CA -3.148 59.169 62.300 0.029 0.000 0.952 347 V CB 1.568 33.399 31.823 0.014 0.000 1.019 347 V HN -0.083 nan 8.190 nan 0.000 0.445 348 P HA 0.396 nan 4.420 nan 0.000 0.268 348 P C 0.106 177.226 177.300 -0.300 0.000 1.205 348 P CA 0.603 63.549 63.100 -0.257 0.000 0.771 348 P CB 0.949 32.461 31.700 -0.315 0.000 0.858 349 G N 1.199 109.546 108.800 -0.756 0.000 3.175 349 G HA2 0.221 4.180 3.960 -0.000 0.000 0.255 349 G HA3 0.221 4.180 3.960 -0.000 0.000 0.255 349 G C 0.235 174.710 174.900 -0.708 0.000 1.352 349 G CA -0.401 44.402 45.100 -0.495 0.000 1.037 349 G HN 0.235 nan 8.290 nan 0.000 0.556 350 D N -0.223 119.943 120.400 -0.390 0.000 2.221 350 D HA -0.100 4.540 4.640 -0.000 0.000 0.204 350 D C 2.259 178.516 176.300 -0.072 0.000 0.982 350 D CA 1.178 55.103 54.000 -0.125 0.000 0.857 350 D CB -0.100 40.862 40.800 0.270 0.000 0.934 350 D HN 0.629 nan 8.370 nan 0.000 0.475 351 W N 0.915 122.318 121.300 0.171 0.000 2.364 351 W HA -0.059 4.600 4.660 -0.000 0.000 0.281 351 W C 1.655 178.238 176.519 0.106 0.000 1.219 351 W CA 0.781 58.247 57.345 0.201 0.000 1.220 351 W CB -1.030 28.641 29.460 0.352 0.000 1.127 351 W HN -0.056 nan 8.180 nan 0.000 0.556 352 A N 1.338 123.827 122.820 -0.552 0.000 2.172 352 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 352 A C 2.179 179.631 177.584 -0.220 0.000 1.154 352 A CA 1.604 53.366 52.037 -0.458 0.000 0.701 352 A CB -0.729 17.766 19.000 -0.843 0.000 0.789 352 A HN 0.152 nan 8.150 nan 0.000 0.465 353 V N 0.158 119.924 119.914 -0.247 0.000 2.343 353 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 353 V C 2.499 178.529 176.094 -0.107 0.000 1.051 353 V CA 2.143 64.285 62.300 -0.264 0.000 1.036 353 V CB -0.424 31.081 31.823 -0.529 0.000 0.654 353 V HN 0.446 nan 8.190 nan 0.000 0.451 354 K N -0.241 120.152 120.400 -0.011 0.000 2.243 354 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 354 K C 0.863 177.502 176.600 0.065 0.000 1.051 354 K CA 0.579 56.889 56.287 0.038 0.000 0.970 354 K CB 0.120 32.666 32.500 0.077 0.000 0.755 354 K HN 0.249 nan 8.250 nan 0.000 0.465 355 R N 0.839 121.416 120.500 0.128 0.000 2.681 355 R HA 0.171 4.511 4.340 -0.000 0.000 0.277 355 R C -2.213 174.195 176.300 0.180 0.000 1.563 355 R CA -1.437 54.772 56.100 0.181 0.000 1.673 355 R CB 0.869 31.336 30.300 0.278 0.000 1.258 355 R HN -0.019 nan 8.270 nan 0.000 0.650 356 P HA -0.010 nan 4.420 nan 0.000 0.237 356 P C 0.088 177.422 177.300 0.058 0.000 1.178 356 P CA 0.712 63.821 63.100 0.016 0.000 0.766 356 P CB 0.535 32.223 31.700 -0.019 0.000 0.876 357 N N -0.684 118.076 118.700 0.100 0.000 2.197 357 N HA 0.110 4.850 4.740 -0.000 0.000 0.228 357 N C -0.027 175.573 175.510 0.150 0.000 1.212 357 N CA -0.288 52.822 53.050 0.101 0.000 0.883 357 N CB 0.627 39.153 38.487 0.066 0.000 1.107 357 N HN 0.146 nan 8.380 nan 0.000 0.519 358 L N 1.812 123.178 121.223 0.240 0.000 2.290 358 L HA 0.240 4.580 4.340 -0.000 0.000 0.284 358 L C 0.560 177.661 176.870 0.386 0.000 1.078 358 L CA -0.405 54.605 54.840 0.284 0.000 0.815 358 L CB 0.627 42.863 42.059 0.296 0.000 1.162 358 L HN -0.095 nan 8.230 nan 0.000 0.435 359 K N 6.655 127.222 120.400 0.278 0.000 2.416 359 K HA 0.234 4.553 4.320 -0.000 0.000 0.283 359 K C -2.270 174.536 176.600 0.342 0.000 1.037 359 K CA -1.205 55.240 56.287 0.263 0.000 0.995 359 K CB 0.511 33.108 32.500 0.160 0.000 0.938 359 K HN 0.418 nan 8.250 nan 0.000 0.475 360 P HA 0.053 nan 4.420 nan 0.000 0.265 360 P C -0.224 177.011 177.300 -0.108 0.000 1.193 360 P CA -0.005 63.211 63.100 0.192 0.000 0.765 360 P CB 0.986 32.831 31.700 0.242 0.000 0.823 361 G N 1.582 110.092 108.800 -0.484 0.000 5.580 361 G HA2 0.375 4.335 3.960 -0.000 0.000 0.197 361 G HA3 0.375 4.335 3.960 -0.000 0.000 0.197 361 G C 0.205 174.702 174.900 -0.670 0.000 0.741 361 G CA 0.004 44.858 45.100 -0.410 0.000 0.692 361 G HN 0.721 nan 8.290 nan 0.000 0.300 362 G N -0.269 107.850 108.800 -1.134 0.000 2.535 362 G HA2 0.668 4.628 3.960 -0.000 0.000 0.303 362 G HA3 0.668 4.628 3.960 -0.000 0.000 0.303 362 G C -1.017 173.368 174.900 -0.858 0.000 1.237 362 G CA -0.843 43.606 45.100 -1.085 0.000 0.986 362 G HN 0.080 nan 8.290 nan 0.000 0.494 363 F N -0.701 119.084 119.950 -0.274 0.000 2.563 363 F HA 0.683 5.210 4.527 -0.000 0.000 0.316 363 F C 0.654 176.414 175.800 -0.067 0.000 1.076 363 F CA -0.734 57.185 58.000 -0.135 0.000 0.921 363 F CB 2.130 41.102 39.000 -0.048 0.000 1.209 363 F HN 0.652 nan 8.300 nan 0.000 0.462 364 A N 1.538 124.439 122.820 0.134 0.000 2.247 364 A HA 0.527 4.847 4.320 -0.000 0.000 0.313 364 A C 0.156 177.872 177.584 0.220 0.000 1.109 364 A CA -0.258 51.882 52.037 0.171 0.000 0.890 364 A CB 0.245 19.326 19.000 0.135 0.000 1.239 364 A HN 0.821 nan 8.150 nan 0.000 0.506 365 F N -0.468 119.509 119.950 0.045 0.000 2.270 365 F HA 0.095 4.621 4.527 -0.000 0.000 0.295 365 F C 1.169 176.924 175.800 -0.075 0.000 1.087 365 F CA 1.212 59.220 58.000 0.014 0.000 1.365 365 F CB -0.140 38.850 39.000 -0.016 0.000 1.056 365 F HN 0.608 nan 8.300 nan 0.000 0.506 366 Q N -0.944 118.838 119.800 -0.030 0.000 2.173 366 Q HA 0.217 4.557 4.340 -0.000 0.000 0.186 366 Q C 0.890 176.684 176.000 -0.343 0.000 1.018 366 Q CA -0.232 55.393 55.803 -0.295 0.000 1.064 366 Q CB -0.107 28.596 28.738 -0.058 0.000 1.130 366 Q HN 0.139 nan 8.270 nan 0.000 0.553 367 F N 0.023 119.820 119.950 -0.255 0.000 2.163 367 F HA 0.001 4.528 4.527 -0.000 0.000 0.297 367 F C 0.232 175.906 175.800 -0.211 0.000 1.094 367 F CA 1.095 58.939 58.000 -0.259 0.000 1.290 367 F CB 0.399 39.218 39.000 -0.303 0.000 1.017 367 F HN 0.282 nan 8.300 nan 0.000 0.483 368 D N -0.303 120.111 120.400 0.024 0.000 2.336 368 D HA 0.150 4.790 4.640 -0.000 0.000 0.248 368 D C -1.071 175.183 176.300 -0.077 0.000 1.326 368 D CA -0.031 53.932 54.000 -0.060 0.000 0.973 368 D CB 0.934 41.690 40.800 -0.073 0.000 1.255 368 D HN -0.008 nan 8.370 nan 0.000 0.558 369 N N 2.350 120.999 118.700 -0.086 0.000 2.732 369 N HA 0.026 4.766 4.740 -0.000 0.000 0.230 369 N C 0.151 175.612 175.510 -0.081 0.000 1.487 369 N CA -0.216 52.812 53.050 -0.036 0.000 0.765 369 N CB 0.719 39.263 38.487 0.096 0.000 1.384 369 N HN 0.089 nan 8.380 nan 0.000 0.530 370 V N 1.080 120.807 119.914 -0.311 0.000 2.667 370 V HA -0.095 4.025 4.120 -0.000 0.000 0.252 370 V C 0.930 176.757 176.094 -0.445 0.000 1.065 370 V CA 1.472 63.510 62.300 -0.437 0.000 1.083 370 V CB -0.492 30.968 31.823 -0.604 0.000 0.692 370 V HN 0.495 nan 8.190 nan 0.000 0.468 371 Y N -1.775 118.438 120.300 -0.146 0.000 2.546 371 Y HA 0.115 4.664 4.550 -0.000 0.000 0.287 371 Y C 0.508 176.051 175.900 -0.595 0.000 1.158 371 Y CA -0.219 57.625 58.100 -0.427 0.000 1.307 371 Y CB -0.270 37.806 38.460 -0.640 0.000 1.036 371 Y HN 0.357 nan 8.280 nan 0.000 0.532 372 Y N 0.514 120.974 120.300 0.267 0.000 2.473 372 Y HA 0.356 4.906 4.550 -0.000 0.000 0.345 372 Y C -2.467 173.675 175.900 0.403 0.000 0.932 372 Y CA -3.582 54.754 58.100 0.393 0.000 1.124 372 Y CB 0.059 38.696 38.460 0.294 0.000 1.162 372 Y HN -0.100 nan 8.280 nan 0.000 0.629 373 P HA 0.050 nan 4.420 nan 0.000 0.269 373 P C -0.428 177.031 177.300 0.265 0.000 1.215 373 P CA 0.283 63.465 63.100 0.136 0.000 0.780 373 P CB 1.532 33.048 31.700 -0.307 0.000 0.898 374 D N 0.009 120.470 120.400 0.103 0.000 2.490 374 D HA 0.122 4.762 4.640 -0.000 0.000 0.232 374 D C 0.651 177.010 176.300 0.099 0.000 1.053 374 D CA -0.835 53.129 54.000 -0.060 0.000 0.914 374 D CB 1.739 42.203 40.800 -0.560 0.000 1.431 374 D HN -0.010 nan 8.370 nan 0.000 0.483 375 V N 1.017 120.976 119.914 0.075 0.000 2.667 375 V HA -0.183 3.937 4.120 -0.000 0.000 0.252 375 V C 1.801 177.896 176.094 0.000 0.000 1.065 375 V CA 1.632 63.983 62.300 0.085 0.000 1.083 375 V CB -0.560 31.241 31.823 -0.037 0.000 0.692 375 V HN 0.614 nan 8.190 nan 0.000 0.468 376 D N 0.204 120.568 120.400 -0.060 0.000 2.077 376 D HA -0.155 4.484 4.640 -0.000 0.000 0.196 376 D C 2.018 178.434 176.300 0.193 0.000 0.986 376 D CA 1.295 55.299 54.000 0.005 0.000 0.829 376 D CB -0.218 40.432 40.800 -0.250 0.000 0.983 376 D HN 0.354 nan 8.370 nan 0.000 0.453 377 D N -0.616 119.875 120.400 0.153 0.000 2.182 377 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 377 D C 1.767 178.210 176.300 0.238 0.000 0.986 377 D CA 1.037 55.238 54.000 0.335 0.000 0.847 377 D CB 0.025 41.003 40.800 0.296 0.000 0.942 377 D HN 0.242 nan 8.370 nan 0.000 0.467 378 T N 0.733 115.428 114.554 0.234 0.000 2.812 378 T HA -0.056 4.294 4.350 -0.000 0.000 0.264 378 T C 2.069 176.892 174.700 0.204 0.000 1.042 378 T CA 1.184 63.468 62.100 0.308 0.000 1.140 378 T CB -0.085 68.997 68.868 0.358 0.000 0.870 378 T HN 0.160 nan 8.240 nan 0.000 0.445 379 A N 1.036 123.928 122.820 0.120 0.000 1.877 379 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 379 A C 2.566 180.255 177.584 0.175 0.000 1.186 379 A CA 1.310 53.380 52.037 0.054 0.000 0.620 379 A CB -1.037 17.898 19.000 -0.107 0.000 0.822 379 A HN 0.336 nan 8.150 nan 0.000 0.443 380 V N -0.424 119.604 119.914 0.189 0.000 2.407 380 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 380 V C 2.544 178.652 176.094 0.025 0.000 1.055 380 V CA 1.900 64.295 62.300 0.158 0.000 1.049 380 V CB -0.532 31.279 31.823 -0.019 0.000 0.662 380 V HN 0.369 nan 8.190 nan 0.000 0.455 381 V N -0.641 119.234 119.914 -0.065 0.000 2.379 381 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 381 V C 2.385 178.373 176.094 -0.178 0.000 1.044 381 V CA 1.570 63.695 62.300 -0.292 0.000 1.036 381 V CB -0.101 31.220 31.823 -0.838 0.000 0.664 381 V HN 0.391 nan 8.190 nan 0.000 0.453 382 V N -0.995 118.925 119.914 0.010 0.000 2.343 382 V HA -0.250 3.869 4.120 -0.000 0.000 0.247 382 V C 2.077 178.369 176.094 0.330 0.000 1.051 382 V CA 2.174 64.622 62.300 0.247 0.000 1.036 382 V CB -0.661 31.411 31.823 0.416 0.000 0.654 382 V HN 0.806 nan 8.190 nan 0.000 0.451 383 W N 1.265 122.599 121.300 0.056 0.000 2.358 383 W HA -0.153 4.507 4.660 -0.000 0.000 0.303 383 W C 2.466 178.930 176.519 -0.092 0.000 1.208 383 W CA 1.674 58.994 57.345 -0.042 0.000 1.274 383 W CB -0.797 28.625 29.460 -0.064 0.000 1.138 383 W HN 0.221 nan 8.180 nan 0.000 0.515 384 A N 0.531 123.285 122.820 -0.110 0.000 1.877 384 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 384 A C 2.264 179.777 177.584 -0.118 0.000 1.186 384 A CA 2.012 53.891 52.037 -0.262 0.000 0.620 384 A CB -1.186 17.664 19.000 -0.250 0.000 0.822 384 A HN 0.335 nan 8.150 nan 0.000 0.443 385 L N -0.323 120.885 121.223 -0.024 0.000 2.127 385 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 385 L C 2.362 179.268 176.870 0.059 0.000 1.089 385 L CA 1.499 56.362 54.840 0.038 0.000 0.757 385 L CB -0.549 41.567 42.059 0.095 0.000 0.899 385 L HN 0.468 nan 8.230 nan 0.000 0.434 386 N N -0.338 118.398 118.700 0.061 0.000 2.459 386 N HA -0.130 4.610 4.740 -0.000 0.000 0.181 386 N C 1.665 177.161 175.510 -0.024 0.000 1.046 386 N CA 1.406 54.466 53.050 0.016 0.000 0.904 386 N CB 0.044 38.415 38.487 -0.195 0.000 0.964 386 N HN 0.364 nan 8.380 nan 0.000 0.444 387 T N -2.628 111.898 114.554 -0.046 0.000 3.107 387 T HA 0.233 4.583 4.350 -0.000 0.000 0.249 387 T C 0.609 175.288 174.700 -0.036 0.000 1.096 387 T CA -0.081 61.982 62.100 -0.062 0.000 1.012 387 T CB -0.068 68.717 68.868 -0.139 0.000 0.977 387 T HN -0.036 nan 8.240 nan 0.000 0.527 388 L N 1.036 122.253 121.223 -0.010 0.000 2.334 388 L HA 0.654 4.993 4.340 -0.000 0.000 0.273 388 L C -0.051 176.836 176.870 0.029 0.000 1.013 388 L CA -1.383 53.463 54.840 0.011 0.000 0.816 388 L CB 2.006 44.078 42.059 0.021 0.000 1.278 388 L HN -0.037 nan 8.230 nan 0.000 0.431 389 R N 2.528 123.047 120.500 0.031 0.000 2.265 389 R HA 0.668 5.008 4.340 -0.000 0.000 0.328 389 R C -1.344 174.979 176.300 0.039 0.000 0.969 389 R CA -0.181 55.940 56.100 0.035 0.000 0.832 389 R CB 0.627 30.944 30.300 0.029 0.000 1.139 389 R HN 0.515 nan 8.270 nan 0.000 0.457 390 L N 5.601 126.850 121.223 0.044 0.000 2.303 390 L HA 0.609 4.949 4.340 -0.000 0.000 0.266 390 L C -1.437 175.456 176.870 0.039 0.000 1.011 390 L CA -2.363 52.504 54.840 0.046 0.000 0.818 390 L CB 1.692 43.785 42.059 0.057 0.000 1.326 390 L HN 0.538 nan 8.230 nan 0.000 0.435 391 P HA -0.093 nan 4.420 nan 0.000 0.214 391 P C -0.070 177.247 177.300 0.029 0.000 1.162 391 P CA 0.854 63.971 63.100 0.028 0.000 0.874 391 P CB 0.138 31.852 31.700 0.024 0.000 0.784 392 D N -0.173 120.247 120.400 0.033 0.000 2.383 392 D HA -0.013 4.627 4.640 -0.000 0.000 0.245 392 D C 1.097 177.420 176.300 0.039 0.000 1.263 392 D CA 0.143 54.162 54.000 0.033 0.000 0.936 392 D CB 0.619 41.439 40.800 0.033 0.000 1.053 392 D HN 0.008 nan 8.370 nan 0.000 0.507 393 E N 3.565 123.786 120.200 0.035 0.000 2.051 393 E HA -0.139 4.211 4.350 -0.000 0.000 0.189 393 E C 1.826 178.450 176.600 0.040 0.000 0.979 393 E CA 0.941 57.364 56.400 0.039 0.000 0.803 393 E CB 0.064 29.784 29.700 0.032 0.000 0.761 393 E HN 0.319 nan 8.360 nan 0.000 0.451 394 R N 0.302 120.820 120.500 0.031 0.000 2.139 394 R HA -0.069 4.271 4.340 -0.000 0.000 0.243 394 R C 2.419 178.739 176.300 0.033 0.000 1.145 394 R CA 1.765 57.881 56.100 0.027 0.000 0.976 394 R CB -0.192 30.119 30.300 0.019 0.000 0.866 394 R HN 0.094 nan 8.270 nan 0.000 0.449 395 R N -0.159 120.364 120.500 0.038 0.000 2.161 395 R HA 0.017 4.357 4.340 -0.000 0.000 0.213 395 R C 2.214 178.553 176.300 0.064 0.000 1.055 395 R CA 0.690 56.816 56.100 0.043 0.000 0.996 395 R CB -0.106 30.217 30.300 0.038 0.000 0.901 395 R HN 0.181 nan 8.270 nan 0.000 0.456 396 R N 0.674 121.217 120.500 0.072 0.000 2.090 396 R HA -0.132 4.208 4.340 -0.000 0.000 0.228 396 R C 2.038 178.405 176.300 0.111 0.000 1.110 396 R CA 1.397 57.556 56.100 0.097 0.000 0.973 396 R CB -0.120 30.234 30.300 0.090 0.000 0.869 396 R HN 0.009 nan 8.270 nan 0.000 0.440 397 R N 1.165 121.716 120.500 0.084 0.000 2.062 397 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 397 R C 1.599 177.933 176.300 0.058 0.000 1.128 397 R CA 2.128 58.272 56.100 0.073 0.000 0.960 397 R CB -0.721 29.605 30.300 0.043 0.000 0.855 397 R HN 0.158 nan 8.270 nan 0.000 0.432 398 D N 0.317 120.745 120.400 0.047 0.000 2.133 398 D HA -0.209 4.431 4.640 -0.000 0.000 0.192 398 D C 1.684 178.022 176.300 0.064 0.000 1.001 398 D CA 2.163 56.187 54.000 0.040 0.000 0.844 398 D CB -0.483 40.336 40.800 0.032 0.000 0.944 398 D HN 0.430 nan 8.370 nan 0.000 0.447 399 A N 0.134 123.011 122.820 0.096 0.000 1.898 399 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 399 A C 2.287 179.995 177.584 0.208 0.000 1.181 399 A CA 1.340 53.465 52.037 0.146 0.000 0.620 399 A CB -0.479 18.636 19.000 0.192 0.000 0.819 399 A HN 0.165 nan 8.150 nan 0.000 0.442 400 M N -0.706 119.019 119.600 0.209 0.000 2.175 400 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 400 M C 2.188 178.583 176.300 0.158 0.000 1.063 400 M CA 1.897 57.354 55.300 0.261 0.000 1.119 400 M CB -0.677 32.113 32.600 0.316 0.000 1.377 400 M HN 0.449 nan 8.290 nan 0.000 0.415 401 T N 0.483 115.066 114.554 0.049 0.000 2.777 401 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 401 T C 1.787 176.547 174.700 0.101 0.000 1.040 401 T CA 1.069 63.159 62.100 -0.017 0.000 1.141 401 T CB -0.146 68.686 68.868 -0.060 0.000 0.868 401 T HN 0.352 nan 8.240 nan 0.000 0.444 402 K N 0.683 121.146 120.400 0.104 0.000 2.009 402 K HA -0.085 4.235 4.320 -0.000 0.000 0.210 402 K C 2.668 179.379 176.600 0.185 0.000 1.049 402 K CA 1.461 57.815 56.287 0.111 0.000 0.929 402 K CB -0.670 31.856 32.500 0.043 0.000 0.714 402 K HN 0.389 nan 8.250 nan 0.000 0.440 403 G N 0.988 109.921 108.800 0.222 0.000 2.446 403 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 403 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 403 G C 1.377 176.508 174.900 0.386 0.000 1.168 403 G CA 0.644 45.933 45.100 0.314 0.000 0.771 403 G HN 0.243 nan 8.290 nan 0.000 0.551 404 F N 1.306 121.370 119.950 0.189 0.000 2.069 404 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 404 F C 2.872 178.769 175.800 0.161 0.000 1.113 404 F CA 1.846 59.950 58.000 0.173 0.000 1.214 404 F CB -0.171 38.782 39.000 -0.078 0.000 0.978 404 F HN -0.006 nan 8.300 nan 0.000 0.474 405 R N -1.279 119.466 120.500 0.409 0.000 2.120 405 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 405 R C 2.047 178.466 176.300 0.198 0.000 1.123 405 R CA 1.685 57.944 56.100 0.264 0.000 0.975 405 R CB -0.824 29.597 30.300 0.201 0.000 0.866 405 R HN 0.567 nan 8.270 nan 0.000 0.446 406 W N 0.899 122.216 121.300 0.028 0.000 2.388 406 W HA -0.104 4.556 4.660 -0.000 0.000 0.294 406 W C 1.453 177.940 176.519 -0.054 0.000 1.212 406 W CA 1.236 58.531 57.345 -0.082 0.000 1.271 406 W CB -0.143 29.207 29.460 -0.182 0.000 1.126 406 W HN -0.040 nan 8.180 nan 0.000 0.535 407 I N -0.313 120.295 120.570 0.064 0.000 2.226 407 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 407 I C 2.195 178.364 176.117 0.087 0.000 1.100 407 I CA 1.327 62.561 61.300 -0.111 0.000 1.374 407 I CB -1.036 36.869 38.000 -0.159 0.000 1.057 407 I HN -0.196 nan 8.210 nan 0.000 0.413 408 V N 1.064 121.064 119.914 0.142 0.000 2.255 408 V HA -0.250 3.869 4.120 -0.000 0.000 0.247 408 V C 2.593 178.746 176.094 0.098 0.000 1.051 408 V CA 2.296 64.725 62.300 0.215 0.000 1.018 408 V CB -1.500 30.422 31.823 0.166 0.000 0.641 408 V HN 0.587 nan 8.190 nan 0.000 0.445 409 G N -0.856 107.931 108.800 -0.021 0.000 2.479 409 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 409 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 409 G C 1.270 176.061 174.900 -0.181 0.000 1.115 409 G CA 0.591 45.635 45.100 -0.093 0.000 0.757 409 G HN 0.381 nan 8.290 nan 0.000 0.560 410 M N 0.299 119.749 119.600 -0.249 0.000 2.494 410 M HA 0.215 4.695 4.480 -0.000 0.000 0.232 410 M C 0.912 177.137 176.300 -0.125 0.000 1.137 410 M CA -0.248 54.894 55.300 -0.264 0.000 1.012 410 M CB -0.264 31.967 32.600 -0.615 0.000 1.567 410 M HN 0.283 nan 8.290 nan 0.000 0.486 411 Q N 1.046 120.698 119.800 -0.248 0.000 2.304 411 Q HA 0.164 4.504 4.340 -0.000 0.000 0.260 411 Q C -0.453 175.166 176.000 -0.635 0.000 0.965 411 Q CA 0.065 55.275 55.803 -0.989 0.000 0.898 411 Q CB 1.028 29.230 28.738 -0.894 0.000 1.196 411 Q HN 0.185 nan 8.270 nan 0.000 0.402 412 S N 1.591 116.889 115.700 -0.671 0.000 2.645 412 S HA 0.087 4.556 4.470 -0.000 0.000 0.266 412 S C 1.122 175.505 174.600 -0.361 0.000 1.258 412 S CA -0.525 57.441 58.200 -0.391 0.000 0.990 412 S CB 1.378 64.390 63.200 -0.314 0.000 0.967 412 S HN 0.795 nan 8.310 nan 0.000 0.556 413 S N 1.910 117.471 115.700 -0.232 0.000 2.370 413 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 413 S C 1.739 176.228 174.600 -0.185 0.000 1.033 413 S CA 1.323 59.415 58.200 -0.180 0.000 1.011 413 S CB -0.710 62.421 63.200 -0.115 0.000 0.852 413 S HN 0.714 nan 8.310 nan 0.000 0.457 414 N N 1.095 119.684 118.700 -0.185 0.000 2.268 414 N HA -0.297 4.443 4.740 -0.000 0.000 0.180 414 N C 1.352 176.722 175.510 -0.233 0.000 0.826 414 N CA 2.474 55.407 53.050 -0.196 0.000 0.913 414 N CB -0.798 37.490 38.487 -0.332 0.000 1.033 414 N HN 0.644 nan 8.380 nan 0.000 0.919 415 G N -3.339 105.227 108.800 -0.391 0.000 2.284 415 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.230 415 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.230 415 G C 0.396 174.872 174.900 -0.708 0.000 1.021 415 G CA 0.721 45.556 45.100 -0.442 0.000 0.619 415 G HN 0.802 nan 8.290 nan 0.000 0.510 416 G N -1.381 106.833 108.800 -0.975 0.000 2.537 416 G HA2 0.511 4.471 3.960 -0.000 0.000 0.297 416 G HA3 0.511 4.471 3.960 -0.000 0.000 0.297 416 G C -0.445 173.958 174.900 -0.827 0.000 1.310 416 G CA -0.551 43.931 45.100 -1.030 0.000 1.027 416 G HN 0.276 nan 8.290 nan 0.000 0.505 417 W N -0.330 120.773 121.300 -0.327 0.000 2.702 417 W HA 0.516 5.176 4.660 -0.000 0.000 0.331 417 W C 0.422 176.896 176.519 -0.074 0.000 1.049 417 W CA -0.822 56.410 57.345 -0.188 0.000 1.230 417 W CB 1.967 31.326 29.460 -0.168 0.000 1.408 417 W HN 0.806 nan 8.180 nan 0.000 0.492 418 G N 0.643 109.556 108.800 0.189 0.000 2.563 418 G HA2 0.427 4.386 3.960 -0.000 0.000 0.283 418 G HA3 0.427 4.386 3.960 -0.000 0.000 0.283 418 G C 0.614 175.675 174.900 0.268 0.000 1.309 418 G CA 0.227 45.487 45.100 0.268 0.000 1.022 418 G HN 0.512 nan 8.290 nan 0.000 0.501 419 A N -1.515 121.490 122.820 0.308 0.000 1.878 419 A HA 0.209 4.529 4.320 -0.000 0.000 0.213 419 A C 1.823 179.339 177.584 -0.112 0.000 1.192 419 A CA 1.188 53.222 52.037 -0.004 0.000 0.619 419 A CB -0.272 18.629 19.000 -0.164 0.000 0.837 419 A HN 0.617 nan 8.150 nan 0.000 0.446 420 Y N -1.088 119.418 120.300 0.342 0.000 2.526 420 Y HA 0.283 4.833 4.550 -0.000 0.000 0.265 420 Y C 0.116 176.237 175.900 0.368 0.000 1.092 420 Y CA -0.443 57.891 58.100 0.389 0.000 1.277 420 Y CB 0.741 39.464 38.460 0.438 0.000 1.228 420 Y HN 0.124 nan 8.280 nan 0.000 0.507 421 D N -0.823 119.827 120.400 0.418 0.000 2.523 421 D HA 0.416 5.056 4.640 -0.000 0.000 0.236 421 D C -1.109 175.291 176.300 0.168 0.000 1.094 421 D CA -0.429 53.759 54.000 0.312 0.000 0.942 421 D CB 3.342 44.317 40.800 0.292 0.000 1.447 421 D HN -0.352 nan 8.370 nan 0.000 0.479 422 V N 1.612 121.592 119.914 0.110 0.000 2.465 422 V HA 0.137 4.257 4.120 -0.000 0.000 0.279 422 V C -0.149 175.955 176.094 0.016 0.000 1.045 422 V CA -0.317 61.991 62.300 0.013 0.000 0.938 422 V CB 1.085 32.899 31.823 -0.015 0.000 0.986 422 V HN 0.603 nan 8.190 nan 0.000 0.467 423 D N 2.981 123.365 120.400 -0.027 0.000 2.708 423 D HA -0.195 4.445 4.640 -0.000 0.000 0.236 423 D C 0.543 176.848 176.300 0.008 0.000 1.146 423 D CA 0.717 54.701 54.000 -0.026 0.000 0.662 423 D CB -0.828 39.950 40.800 -0.035 0.000 1.059 423 D HN 0.729 nan 8.370 nan 0.000 0.428 424 N N 0.660 119.382 118.700 0.036 0.000 3.245 424 N HA 0.045 4.785 4.740 -0.000 0.000 0.296 424 N C 0.556 176.072 175.510 0.009 0.000 1.254 424 N CA 0.529 53.602 53.050 0.037 0.000 1.190 424 N CB 0.177 38.713 38.487 0.081 0.000 1.460 424 N HN 0.239 nan 8.380 nan 0.000 0.538 425 T N -2.936 111.607 114.554 -0.019 0.000 3.145 425 T HA 0.092 4.442 4.350 -0.000 0.000 0.281 425 T C 0.658 175.321 174.700 -0.062 0.000 1.003 425 T CA -0.453 61.629 62.100 -0.030 0.000 0.901 425 T CB 0.227 69.081 68.868 -0.023 0.000 1.112 425 T HN 0.080 nan 8.240 nan 0.000 0.535 426 S N 1.160 116.806 115.700 -0.090 0.000 2.558 426 S HA 0.086 4.556 4.470 -0.000 0.000 0.288 426 S C 0.784 175.283 174.600 -0.168 0.000 1.318 426 S CA -0.147 57.979 58.200 -0.122 0.000 1.056 426 S CB 0.433 63.537 63.200 -0.160 0.000 0.853 426 S HN 0.336 nan 8.310 nan 0.000 0.505 427 D N 2.916 123.221 120.400 -0.157 0.000 2.360 427 D HA 0.154 4.794 4.640 -0.000 0.000 0.210 427 D C 1.652 177.728 176.300 -0.374 0.000 1.047 427 D CA 0.309 54.175 54.000 -0.222 0.000 0.854 427 D CB 0.035 40.771 40.800 -0.106 0.000 0.936 427 D HN 0.564 nan 8.370 nan 0.000 0.514 428 L N 0.757 121.809 121.223 -0.287 0.000 2.027 428 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 428 L C -0.492 176.039 176.870 -0.565 0.000 1.074 428 L CA 1.104 55.751 54.840 -0.321 0.000 0.745 428 L CB -1.638 40.323 42.059 -0.163 0.000 0.898 428 L HN 0.004 nan 8.230 nan 0.000 0.433 429 P HA -0.130 nan 4.420 nan 0.000 0.219 429 P C 0.875 177.913 177.300 -0.437 0.000 1.146 429 P CA 1.173 63.886 63.100 -0.644 0.000 0.808 429 P CB -0.179 30.939 31.700 -0.971 0.000 0.779 430 N N -1.353 117.067 118.700 -0.467 0.000 2.453 430 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 430 N C 0.992 176.350 175.510 -0.254 0.000 1.041 430 N CA 0.978 53.813 53.050 -0.359 0.000 0.900 430 N CB -0.451 37.804 38.487 -0.387 0.000 0.961 430 N HN 0.394 nan 8.380 nan 0.000 0.443 431 H N 0.381 119.300 119.070 -0.252 0.000 2.622 431 H HA 0.226 4.782 4.556 -0.000 0.000 0.269 431 H C 1.031 176.219 175.328 -0.233 0.000 0.977 431 H CA -0.352 55.579 56.048 -0.195 0.000 1.179 431 H CB 0.591 30.285 29.762 -0.114 0.000 1.458 431 H HN 0.271 nan 8.280 nan 0.000 0.531 432 I N 0.203 120.613 120.570 -0.267 0.000 2.575 432 I HA 0.169 4.339 4.170 -0.000 0.000 0.285 432 I C -1.415 174.728 176.117 0.044 0.000 1.085 432 I CA -1.956 59.265 61.300 -0.133 0.000 1.403 432 I CB 1.499 39.399 38.000 -0.167 0.000 1.409 432 I HN -0.248 nan 8.210 nan 0.000 0.557 433 P HA -0.223 nan 4.420 nan 0.000 0.219 433 P C 1.525 178.873 177.300 0.080 0.000 1.146 433 P CA 1.404 64.567 63.100 0.105 0.000 0.808 433 P CB -0.099 31.686 31.700 0.142 0.000 0.779 434 F N 1.058 120.994 119.950 -0.023 0.000 2.216 434 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 434 F C 0.949 176.670 175.800 -0.132 0.000 1.085 434 F CA 0.915 58.862 58.000 -0.089 0.000 1.326 434 F CB -0.479 38.466 39.000 -0.092 0.000 1.027 434 F HN -0.150 nan 8.300 nan 0.000 0.497 435 C N 2.922 122.153 119.300 -0.115 0.000 2.700 435 C HA 0.201 4.661 4.460 -0.000 0.000 0.529 435 C C 0.859 175.761 174.990 -0.146 0.000 1.093 435 C CA -0.181 58.738 59.018 -0.166 0.000 1.320 435 C CB -1.966 25.776 27.740 0.003 0.000 1.478 435 C HN 0.520 nan 8.230 nan 0.000 0.598 436 D N -0.577 119.705 120.400 -0.197 0.000 2.431 436 D HA 0.106 4.746 4.640 -0.000 0.000 0.213 436 D C -0.127 176.186 176.300 0.021 0.000 1.130 436 D CA -0.160 53.794 54.000 -0.076 0.000 0.834 436 D CB 0.034 40.792 40.800 -0.070 0.000 0.985 436 D HN 0.403 nan 8.370 nan 0.000 0.504 437 F N 0.721 120.566 119.950 -0.176 0.000 2.573 437 F HA 0.514 5.041 4.527 -0.000 0.000 0.316 437 F C 0.565 176.279 175.800 -0.145 0.000 1.148 437 F CA 0.570 58.523 58.000 -0.078 0.000 0.940 437 F CB 1.590 40.599 39.000 0.015 0.000 1.214 437 F HN 0.203 nan 8.300 nan 0.000 0.448 438 G N 4.338 112.674 108.800 -0.774 0.000 2.642 438 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.231 438 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.231 438 G C -1.188 173.308 174.900 -0.673 0.000 1.338 438 G CA -0.527 43.995 45.100 -0.964 0.000 0.883 438 G HN 0.720 nan 8.290 nan 0.000 0.570 439 E N 0.178 119.824 120.200 -0.924 0.000 2.191 439 E HA 0.455 4.805 4.350 -0.000 0.000 0.278 439 E C 1.254 177.874 176.600 0.033 0.000 0.972 439 E CA 0.077 56.322 56.400 -0.259 0.000 0.804 439 E CB 1.622 31.332 29.700 0.017 0.000 1.110 439 E HN 1.266 nan 8.360 nan 0.000 0.394 440 V N -1.023 118.947 119.914 0.093 0.000 3.528 440 V HA 0.188 4.308 4.120 -0.000 0.000 0.294 440 V C 0.611 176.708 176.094 0.005 0.000 1.404 440 V CA 0.155 62.542 62.300 0.145 0.000 1.065 440 V CB 0.132 32.023 31.823 0.112 0.000 0.904 440 V HN 0.596 nan 8.190 nan 0.000 0.435 441 T N -2.418 112.156 114.554 0.033 0.000 2.926 441 T HA 0.652 5.002 4.350 -0.000 0.000 0.289 441 T C -0.830 173.974 174.700 0.173 0.000 1.054 441 T CA -0.011 62.075 62.100 -0.024 0.000 1.015 441 T CB 2.388 71.213 68.868 -0.073 0.000 1.167 441 T HN 0.142 nan 8.240 nan 0.000 0.526 442 D N 1.828 122.311 120.400 0.138 0.000 2.749 442 D HA 0.357 4.997 4.640 -0.000 0.000 0.338 442 D C -2.386 174.079 176.300 0.276 0.000 1.236 442 D CA -2.022 52.194 54.000 0.361 0.000 0.845 442 D CB 0.428 41.411 40.800 0.305 0.000 1.080 442 D HN 0.300 nan 8.370 nan 0.000 0.497 443 P HA 0.270 nan 4.420 nan 0.000 0.274 443 P C -2.593 174.805 177.300 0.163 0.000 1.246 443 P CA -1.385 61.795 63.100 0.134 0.000 0.795 443 P CB 0.004 31.760 31.700 0.094 0.000 1.006 444 P HA 0.019 nan 4.420 nan 0.000 0.265 444 P C 0.006 177.419 177.300 0.189 0.000 1.187 444 P CA 0.700 63.822 63.100 0.035 0.000 0.766 444 P CB 0.168 31.703 31.700 -0.275 0.000 0.820 445 S N 0.771 116.630 115.700 0.265 0.000 2.671 445 S HA 0.422 4.892 4.470 -0.000 0.000 0.299 445 S C 0.634 175.468 174.600 0.390 0.000 1.116 445 S CA -0.588 57.829 58.200 0.362 0.000 0.912 445 S CB 1.752 65.157 63.200 0.342 0.000 1.130 445 S HN 0.218 nan 8.310 nan 0.000 0.501 446 E N 0.992 121.405 120.200 0.357 0.000 2.112 446 E HA -0.048 4.301 4.350 -0.000 0.000 0.190 446 E C 1.449 178.070 176.600 0.035 0.000 0.979 446 E CA 1.354 57.896 56.400 0.236 0.000 0.814 446 E CB -0.183 29.617 29.700 0.167 0.000 0.762 446 E HN 0.815 nan 8.360 nan 0.000 0.460 447 D N 0.667 121.087 120.400 0.034 0.000 2.117 447 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 447 D C 1.894 178.041 176.300 -0.255 0.000 0.982 447 D CA 0.911 54.800 54.000 -0.185 0.000 0.828 447 D CB -0.594 40.213 40.800 0.011 0.000 0.967 447 D HN 0.130 nan 8.370 nan 0.000 0.464 448 V N 0.924 120.879 119.914 0.069 0.000 2.307 448 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 448 V C 2.712 178.799 176.094 -0.012 0.000 1.045 448 V CA 2.119 64.475 62.300 0.094 0.000 1.024 448 V CB -0.990 30.948 31.823 0.192 0.000 0.651 448 V HN 0.281 nan 8.190 nan 0.000 0.449 449 T N 0.552 115.155 114.554 0.082 0.000 2.720 449 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 449 T C 2.072 176.717 174.700 -0.092 0.000 1.037 449 T CA 1.777 63.961 62.100 0.139 0.000 1.144 449 T CB -0.460 68.575 68.868 0.279 0.000 0.864 449 T HN 0.578 nan 8.240 nan 0.000 0.444 450 A N 1.101 123.799 122.820 -0.203 0.000 1.883 450 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 450 A C 1.913 179.303 177.584 -0.324 0.000 1.186 450 A CA 1.928 53.770 52.037 -0.326 0.000 0.624 450 A CB -1.024 17.698 19.000 -0.464 0.000 0.822 450 A HN 0.718 nan 8.150 nan 0.000 0.444 451 H N -1.319 117.613 119.070 -0.230 0.000 2.421 451 H HA -0.057 4.499 4.556 -0.000 0.000 0.298 451 H C 2.032 177.116 175.328 -0.405 0.000 1.087 451 H CA 0.948 56.855 56.048 -0.235 0.000 1.330 451 H CB 0.033 29.765 29.762 -0.049 0.000 1.388 451 H HN 0.299 nan 8.280 nan 0.000 0.526 452 V N 0.489 120.133 119.914 -0.451 0.000 2.358 452 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 452 V C 2.116 177.602 176.094 -1.014 0.000 1.047 452 V CA 1.205 62.938 62.300 -0.946 0.000 1.035 452 V CB -0.343 30.567 31.823 -1.522 0.000 0.658 452 V HN 0.262 nan 8.190 nan 0.000 0.452 453 L N 0.067 120.930 121.223 -0.602 0.000 2.056 453 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 453 L C 2.528 179.222 176.870 -0.294 0.000 1.078 453 L CA 1.730 56.368 54.840 -0.336 0.000 0.749 453 L CB -0.968 40.983 42.059 -0.179 0.000 0.901 453 L HN 0.429 nan 8.230 nan 0.000 0.433 454 E N -1.596 118.347 120.200 -0.429 0.000 2.051 454 E HA -0.297 4.053 4.350 -0.000 0.000 0.192 454 E C 2.376 178.492 176.600 -0.807 0.000 0.991 454 E CA 1.597 57.609 56.400 -0.648 0.000 0.799 454 E CB -0.800 28.329 29.700 -0.952 0.000 0.748 454 E HN 0.567 nan 8.360 nan 0.000 0.449 455 C N 0.950 119.829 119.300 -0.702 0.000 2.393 455 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 455 C C 2.533 177.604 174.990 0.135 0.000 1.215 455 C CA 0.753 59.544 59.018 -0.378 0.000 1.743 455 C CB -1.205 26.416 27.740 -0.198 0.000 2.044 455 C HN 0.319 nan 8.230 nan 0.000 0.464 456 F N 1.465 121.459 119.950 0.073 0.000 2.234 456 F HA 0.113 4.640 4.527 -0.000 0.000 0.299 456 F C 2.592 178.652 175.800 0.433 0.000 1.087 456 F CA 1.222 59.457 58.000 0.391 0.000 1.340 456 F CB -1.697 37.438 39.000 0.226 0.000 1.031 456 F HN 0.378 nan 8.300 nan 0.000 0.500 457 G N -0.561 108.421 108.800 0.304 0.000 2.422 457 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.218 457 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.218 457 G C 1.790 176.739 174.900 0.082 0.000 1.140 457 G CA 1.084 46.282 45.100 0.164 0.000 0.775 457 G HN 0.442 nan 8.290 nan 0.000 0.545 458 S N 0.204 115.871 115.700 -0.056 0.000 2.442 458 S HA -0.010 4.460 4.470 -0.000 0.000 0.236 458 S C 1.791 176.276 174.600 -0.191 0.000 1.007 458 S CA 0.857 58.975 58.200 -0.137 0.000 0.965 458 S CB -0.474 62.600 63.200 -0.211 0.000 0.773 458 S HN 0.223 nan 8.310 nan 0.000 0.504 459 F N 1.585 121.670 119.950 0.226 0.000 2.727 459 F HA 0.450 4.977 4.527 -0.000 0.000 0.302 459 F C 1.985 177.781 175.800 -0.007 0.000 1.097 459 F CA 0.014 58.113 58.000 0.165 0.000 1.330 459 F CB 0.027 39.217 39.000 0.317 0.000 1.084 459 F HN 0.402 nan 8.300 nan 0.000 0.578 460 G N -0.783 108.118 108.800 0.168 0.000 2.144 460 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 460 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 460 G C -0.061 174.822 174.900 -0.029 0.000 0.988 460 G CA -0.658 44.451 45.100 0.016 0.000 0.659 460 G HN 0.280 nan 8.290 nan 0.000 0.522 461 Y N 1.819 122.253 120.300 0.223 0.000 2.326 461 Y HA 0.474 5.024 4.550 -0.000 0.000 0.333 461 Y C 1.079 177.130 175.900 0.253 0.000 1.240 461 Y CA 0.613 58.861 58.100 0.246 0.000 1.365 461 Y CB 0.899 39.580 38.460 0.368 0.000 1.289 461 Y HN 0.457 nan 8.280 nan 0.000 0.548 462 D N -0.956 119.685 120.400 0.403 0.000 3.225 462 D HA 0.113 4.753 4.640 -0.000 0.000 0.294 462 D C -0.559 175.915 176.300 0.289 0.000 1.306 462 D CA -0.477 53.690 54.000 0.278 0.000 1.019 462 D CB -0.224 40.678 40.800 0.171 0.000 1.344 462 D HN 0.450 nan 8.370 nan 0.000 0.615 463 D N -1.024 119.494 120.400 0.195 0.000 2.328 463 D HA 0.350 4.989 4.640 -0.000 0.000 0.221 463 D C 1.414 177.811 176.300 0.161 0.000 1.072 463 D CA 0.170 54.267 54.000 0.161 0.000 0.850 463 D CB 0.190 41.056 40.800 0.110 0.000 0.922 463 D HN 0.417 nan 8.370 nan 0.000 0.516 464 A N 0.094 123.028 122.820 0.190 0.000 2.067 464 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 464 A C 0.457 178.201 177.584 0.266 0.000 1.158 464 A CA 0.144 52.289 52.037 0.181 0.000 0.661 464 A CB -0.627 18.462 19.000 0.149 0.000 0.801 464 A HN 0.485 nan 8.150 nan 0.000 0.452 465 W N 0.806 122.164 121.300 0.097 0.000 2.338 465 W HA 0.531 5.191 4.660 -0.000 0.000 0.307 465 W C 0.847 177.404 176.519 0.063 0.000 1.167 465 W CA -1.624 55.772 57.345 0.086 0.000 1.208 465 W CB 1.205 30.736 29.460 0.119 0.000 1.228 465 W HN 0.051 nan 8.180 nan 0.000 0.499 466 K N 3.007 123.435 120.400 0.046 0.000 2.209 466 K HA -0.119 4.200 4.320 -0.000 0.000 0.204 466 K C 1.412 177.789 176.600 -0.372 0.000 1.048 466 K CA 1.672 57.887 56.287 -0.121 0.000 0.940 466 K CB -0.151 32.337 32.500 -0.020 0.000 0.729 466 K HN 0.433 nan 8.250 nan 0.000 0.451 467 V N 0.599 119.975 119.914 -0.897 0.000 2.379 467 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 467 V C 2.131 177.901 176.094 -0.539 0.000 1.044 467 V CA 1.540 63.323 62.300 -0.863 0.000 1.036 467 V CB -0.297 30.664 31.823 -1.436 0.000 0.664 467 V HN 0.306 nan 8.190 nan 0.000 0.453 468 I N -0.469 119.770 120.570 -0.552 0.000 2.493 468 I HA -0.189 3.981 4.170 -0.000 0.000 0.254 468 I C 2.684 178.773 176.117 -0.046 0.000 1.160 468 I CA 1.311 62.544 61.300 -0.111 0.000 1.445 468 I CB -0.306 37.747 38.000 0.088 0.000 1.086 468 I HN 0.240 nan 8.210 nan 0.000 0.433 469 R N 0.750 121.197 120.500 -0.088 0.000 2.100 469 R HA -0.015 4.325 4.340 -0.000 0.000 0.220 469 R C 2.378 178.648 176.300 -0.049 0.000 1.091 469 R CA 0.672 56.752 56.100 -0.034 0.000 0.986 469 R CB 0.091 30.381 30.300 -0.016 0.000 0.888 469 R HN 0.230 nan 8.270 nan 0.000 0.444 470 R N -0.361 120.078 120.500 -0.102 0.000 2.148 470 R HA -0.005 4.335 4.340 -0.000 0.000 0.223 470 R C 2.068 178.332 176.300 -0.060 0.000 1.088 470 R CA 1.102 57.143 56.100 -0.097 0.000 0.985 470 R CB -0.041 30.163 30.300 -0.160 0.000 0.880 470 R HN 0.176 nan 8.270 nan 0.000 0.451 471 A N 0.504 123.289 122.820 -0.059 0.000 1.930 471 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 471 A C 2.264 179.911 177.584 0.105 0.000 1.176 471 A CA 0.767 52.825 52.037 0.034 0.000 0.632 471 A CB -0.272 18.788 19.000 0.101 0.000 0.819 471 A HN 0.077 nan 8.150 nan 0.000 0.445 472 V N 0.075 120.019 119.914 0.051 0.000 2.343 472 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 472 V C 2.471 178.575 176.094 0.017 0.000 1.051 472 V CA 2.316 64.639 62.300 0.039 0.000 1.036 472 V CB -0.631 31.219 31.823 0.045 0.000 0.654 472 V HN 0.717 nan 8.190 nan 0.000 0.451 473 E N -0.722 119.484 120.200 0.010 0.000 2.049 473 E HA -0.308 4.042 4.350 -0.000 0.000 0.198 473 E C 2.172 178.778 176.600 0.011 0.000 1.007 473 E CA 2.119 58.513 56.400 -0.011 0.000 0.809 473 E CB -0.330 29.365 29.700 -0.009 0.000 0.749 473 E HN 0.709 nan 8.360 nan 0.000 0.450 474 Y N 1.287 121.556 120.300 -0.053 0.000 2.081 474 Y HA -0.288 4.262 4.550 -0.000 0.000 0.280 474 Y C 1.958 177.870 175.900 0.019 0.000 1.163 474 Y CA 1.998 60.077 58.100 -0.036 0.000 1.135 474 Y CB -0.526 37.895 38.460 -0.065 0.000 0.970 474 Y HN 0.029 nan 8.280 nan 0.000 0.498 475 L N 0.319 121.459 121.223 -0.139 0.000 2.012 475 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 475 L C 2.572 179.511 176.870 0.115 0.000 1.073 475 L CA 2.048 56.808 54.840 -0.133 0.000 0.748 475 L CB -0.694 41.277 42.059 -0.147 0.000 0.891 475 L HN 0.195 nan 8.230 nan 0.000 0.431 476 K N -0.188 120.231 120.400 0.031 0.000 2.103 476 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 476 K C 2.252 178.807 176.600 -0.075 0.000 1.048 476 K CA 1.275 57.534 56.287 -0.046 0.000 0.930 476 K CB -0.164 32.166 32.500 -0.283 0.000 0.716 476 K HN 0.322 nan 8.250 nan 0.000 0.444 477 R N 0.648 121.085 120.500 -0.105 0.000 2.092 477 R HA -0.076 4.263 4.340 -0.000 0.000 0.231 477 R C 1.770 177.991 176.300 -0.130 0.000 1.119 477 R CA 0.887 56.918 56.100 -0.115 0.000 0.970 477 R CB 0.010 30.248 30.300 -0.102 0.000 0.864 477 R HN 0.185 nan 8.270 nan 0.000 0.440 478 E N 0.871 120.971 120.200 -0.166 0.000 2.442 478 E HA -0.054 4.296 4.350 -0.000 0.000 0.195 478 E C 0.422 176.978 176.600 -0.073 0.000 1.030 478 E CA 0.087 56.408 56.400 -0.133 0.000 0.869 478 E CB 0.042 29.600 29.700 -0.238 0.000 0.857 478 E HN 0.337 nan 8.360 nan 0.000 0.505 479 Q N 1.878 121.621 119.800 -0.095 0.000 2.304 479 Q HA -0.067 4.273 4.340 -0.000 0.000 0.301 479 Q C -0.236 175.498 176.000 -0.445 0.000 1.063 479 Q CA 0.311 55.754 55.803 -0.600 0.000 0.947 479 Q CB 0.577 28.965 28.738 -0.583 0.000 1.201 479 Q HN -0.282 nan 8.270 nan 0.000 0.389 480 K N 4.614 124.700 120.400 -0.522 0.000 2.168 480 K HA 0.122 4.442 4.320 -0.000 0.000 0.258 480 K C -1.791 174.616 176.600 -0.322 0.000 1.010 480 K CA -1.972 54.109 56.287 -0.344 0.000 0.929 480 K CB 0.201 32.493 32.500 -0.347 0.000 0.998 480 K HN 0.493 nan 8.250 nan 0.000 0.479 481 P HA -0.185 nan 4.420 nan 0.000 0.218 481 P C 0.407 177.615 177.300 -0.154 0.000 1.146 481 P CA 1.376 64.381 63.100 -0.159 0.000 0.813 481 P CB 0.190 31.826 31.700 -0.107 0.000 0.778 482 D N -2.430 117.855 120.400 -0.193 0.000 2.340 482 D HA 0.092 4.731 4.640 -0.000 0.000 0.220 482 D C 1.433 177.609 176.300 -0.207 0.000 1.039 482 D CA 0.665 54.595 54.000 -0.118 0.000 0.866 482 D CB -0.621 40.172 40.800 -0.011 0.000 0.913 482 D HN 0.241 nan 8.370 nan 0.000 0.523 483 G N 0.095 108.660 108.800 -0.392 0.000 2.213 483 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.226 483 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.226 483 G C 0.431 174.848 174.900 -0.805 0.000 0.992 483 G CA 0.270 45.089 45.100 -0.468 0.000 0.632 483 G HN 0.771 nan 8.290 nan 0.000 0.511 484 S N -0.371 114.718 115.700 -1.018 0.000 2.645 484 S HA 0.691 5.161 4.470 -0.000 0.000 0.266 484 S C -0.089 174.033 174.600 -0.796 0.000 1.258 484 S CA -0.441 57.094 58.200 -1.108 0.000 0.990 484 S CB 1.357 63.552 63.200 -1.675 0.000 0.967 484 S HN 0.450 nan 8.310 nan 0.000 0.556 485 W N 0.677 121.838 121.300 -0.231 0.000 2.632 485 W HA 0.407 5.067 4.660 -0.000 0.000 0.328 485 W C -0.274 176.315 176.519 0.116 0.000 1.044 485 W CA -1.533 55.793 57.345 -0.032 0.000 1.225 485 W CB 1.361 30.774 29.460 -0.078 0.000 1.396 485 W HN 0.735 nan 8.180 nan 0.000 0.499 486 F N 1.829 121.915 119.950 0.226 0.000 2.589 486 F HA 0.315 4.842 4.527 -0.000 0.000 0.352 486 F C 0.802 176.581 175.800 -0.034 0.000 1.168 486 F CA 0.865 58.828 58.000 -0.061 0.000 1.353 486 F CB 0.627 39.648 39.000 0.033 0.000 1.116 486 F HN 0.248 nan 8.300 nan 0.000 0.608 487 G N 4.998 113.278 108.800 -0.868 0.000 2.522 487 G HA2 0.364 4.324 3.960 -0.000 0.000 0.318 487 G HA3 0.364 4.324 3.960 -0.000 0.000 0.318 487 G C 0.180 174.710 174.900 -0.617 0.000 1.192 487 G CA -0.655 44.191 45.100 -0.422 0.000 0.988 487 G HN 0.771 nan 8.290 nan 0.000 0.480 488 R N 2.156 122.524 120.500 -0.220 0.000 2.075 488 R HA 0.062 4.401 4.340 -0.000 0.000 0.226 488 R C 0.806 176.847 176.300 -0.431 0.000 1.114 488 R CA 1.230 57.182 56.100 -0.248 0.000 0.972 488 R CB -0.116 30.105 30.300 -0.132 0.000 0.869 488 R HN 0.640 nan 8.270 nan 0.000 0.437 489 W N -0.754 120.502 121.300 -0.073 0.000 2.862 489 W HA 0.536 5.196 4.660 -0.000 0.000 0.376 489 W C 0.067 176.369 176.519 -0.360 0.000 1.028 489 W CA -0.039 57.211 57.345 -0.158 0.000 1.757 489 W CB 1.042 30.444 29.460 -0.096 0.000 1.128 489 W HN 0.175 nan 8.180 nan 0.000 0.566 490 G N 0.003 108.494 108.800 -0.517 0.000 2.718 490 G HA2 0.475 4.435 3.960 -0.000 0.000 0.295 490 G HA3 0.475 4.435 3.960 -0.000 0.000 0.295 490 G C -1.744 172.868 174.900 -0.480 0.000 1.421 490 G CA -0.699 43.737 45.100 -1.106 0.000 0.902 490 G HN -0.260 nan 8.290 nan 0.000 0.501 491 V N 1.994 121.877 119.914 -0.052 0.000 2.364 491 V HA 0.369 4.489 4.120 -0.000 0.000 0.272 491 V C 0.461 176.675 176.094 0.199 0.000 1.036 491 V CA -0.296 62.096 62.300 0.152 0.000 0.880 491 V CB 0.969 32.938 31.823 0.242 0.000 0.991 491 V HN 0.864 nan 8.190 nan 0.000 0.460 492 N N 3.622 122.340 118.700 0.029 0.000 3.342 492 N HA 0.069 4.809 4.740 -0.000 0.000 0.211 492 N C 1.252 176.568 175.510 -0.324 0.000 1.380 492 N CA 0.206 53.051 53.050 -0.342 0.000 1.192 492 N CB -0.111 37.864 38.487 -0.853 0.000 1.060 492 N HN 0.315 nan 8.380 nan 0.000 0.743 493 Y N 1.804 122.070 120.300 -0.058 0.000 2.274 493 Y HA 0.138 4.687 4.550 -0.000 0.000 0.290 493 Y C 2.203 178.121 175.900 0.030 0.000 1.145 493 Y CA 0.927 58.987 58.100 -0.067 0.000 1.203 493 Y CB -0.420 37.970 38.460 -0.117 0.000 0.984 493 Y HN 0.143 nan 8.280 nan 0.000 0.533 494 L N -1.871 119.568 121.223 0.360 0.000 2.093 494 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 494 L C 2.248 179.240 176.870 0.203 0.000 1.085 494 L CA 1.452 56.496 54.840 0.340 0.000 0.755 494 L CB -0.657 41.620 42.059 0.364 0.000 0.904 494 L HN 0.222 nan 8.230 nan 0.000 0.435 495 Y N 0.749 121.036 120.300 -0.022 0.000 2.133 495 Y HA -0.149 4.401 4.550 -0.000 0.000 0.287 495 Y C 2.361 178.048 175.900 -0.355 0.000 1.134 495 Y CA 1.608 59.447 58.100 -0.436 0.000 1.133 495 Y CB -0.649 37.476 38.460 -0.559 0.000 0.987 495 Y HN 0.052 nan 8.280 nan 0.000 0.502 496 G N -1.586 107.133 108.800 -0.136 0.000 2.408 496 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 496 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 496 G C 1.603 176.441 174.900 -0.104 0.000 1.150 496 G CA 1.433 46.447 45.100 -0.143 0.000 0.776 496 G HN 0.430 nan 8.290 nan 0.000 0.542 497 T N 0.749 115.299 114.554 -0.006 0.000 2.851 497 T HA 0.066 4.416 4.350 -0.000 0.000 0.262 497 T C 2.539 177.218 174.700 -0.035 0.000 1.043 497 T CA 1.111 63.272 62.100 0.101 0.000 1.140 497 T CB -0.534 68.370 68.868 0.060 0.000 0.872 497 T HN 0.319 nan 8.240 nan 0.000 0.446 498 G N 1.552 110.292 108.800 -0.100 0.000 2.529 498 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 498 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 498 G C 1.802 176.554 174.900 -0.247 0.000 1.177 498 G CA 1.175 46.181 45.100 -0.157 0.000 0.773 498 G HN 0.584 nan 8.290 nan 0.000 0.573 499 A N -0.339 122.235 122.820 -0.410 0.000 1.898 499 A HA 0.164 4.483 4.320 -0.000 0.000 0.216 499 A C 2.621 179.966 177.584 -0.399 0.000 1.181 499 A CA 1.842 53.606 52.037 -0.454 0.000 0.620 499 A CB -0.553 17.997 19.000 -0.750 0.000 0.819 499 A HN 0.287 nan 8.150 nan 0.000 0.442 500 V N -0.406 119.237 119.914 -0.451 0.000 2.379 500 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 500 V C 2.572 178.379 176.094 -0.479 0.000 1.044 500 V CA 1.786 63.717 62.300 -0.614 0.000 1.036 500 V CB -0.583 30.540 31.823 -1.167 0.000 0.664 500 V HN 0.357 nan 8.190 nan 0.000 0.453 501 V N 0.075 119.805 119.914 -0.307 0.000 2.261 501 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 501 V C 2.575 178.585 176.094 -0.141 0.000 1.047 501 V CA 2.351 64.553 62.300 -0.164 0.000 1.015 501 V CB -0.841 30.953 31.823 -0.048 0.000 0.642 501 V HN 0.576 nan 8.190 nan 0.000 0.446 502 S N 0.545 116.166 115.700 -0.132 0.000 2.380 502 S HA -0.272 4.198 4.470 -0.000 0.000 0.229 502 S C 2.155 176.681 174.600 -0.123 0.000 1.043 502 S CA 1.700 59.842 58.200 -0.096 0.000 1.038 502 S CB -0.583 62.577 63.200 -0.068 0.000 0.872 502 S HN 0.680 nan 8.310 nan 0.000 0.456 503 A N 1.208 123.917 122.820 -0.184 0.000 1.897 503 A HA 0.121 4.441 4.320 -0.000 0.000 0.215 503 A C 2.129 179.629 177.584 -0.140 0.000 1.181 503 A CA 0.847 52.765 52.037 -0.198 0.000 0.620 503 A CB -0.626 18.221 19.000 -0.254 0.000 0.821 503 A HN 0.433 nan 8.150 nan 0.000 0.443 504 L N -0.629 120.506 121.223 -0.146 0.000 2.042 504 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 504 L C 2.621 179.465 176.870 -0.044 0.000 1.076 504 L CA 1.920 56.712 54.840 -0.081 0.000 0.749 504 L CB -0.420 41.583 42.059 -0.093 0.000 0.893 504 L HN 0.370 nan 8.230 nan 0.000 0.432 505 K N 0.726 121.093 120.400 -0.055 0.000 2.097 505 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 505 K C 1.936 178.527 176.600 -0.016 0.000 1.049 505 K CA 1.616 57.886 56.287 -0.029 0.000 0.933 505 K CB -0.281 32.203 32.500 -0.028 0.000 0.717 505 K HN 0.238 nan 8.250 nan 0.000 0.442 506 A N 0.123 122.921 122.820 -0.037 0.000 2.014 506 A HA -0.016 4.303 4.320 -0.000 0.000 0.218 506 A C 1.789 179.382 177.584 0.015 0.000 1.163 506 A CA 1.360 53.377 52.037 -0.033 0.000 0.652 506 A CB -0.423 18.509 19.000 -0.113 0.000 0.808 506 A HN 0.287 nan 8.150 nan 0.000 0.449 507 V N -3.970 115.963 119.914 0.030 0.000 3.421 507 V HA 0.566 4.686 4.120 -0.000 0.000 0.316 507 V C 1.046 177.195 176.094 0.091 0.000 1.347 507 V CA 0.487 62.844 62.300 0.095 0.000 1.183 507 V CB -0.843 31.048 31.823 0.114 0.000 1.092 507 V HN 1.389 nan 8.190 nan 0.000 0.433 508 G N 0.817 109.654 108.800 0.060 0.000 2.136 508 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.242 508 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.242 508 G C -0.138 174.796 174.900 0.055 0.000 0.989 508 G CA 0.133 45.268 45.100 0.058 0.000 0.682 508 G HN 0.494 nan 8.290 nan 0.000 0.522 509 I N 0.986 121.586 120.570 0.050 0.000 2.575 509 I HA 0.245 4.415 4.170 -0.000 0.000 0.285 509 I C 0.410 176.544 176.117 0.028 0.000 1.085 509 I CA -0.890 60.444 61.300 0.056 0.000 1.403 509 I CB 1.037 39.081 38.000 0.073 0.000 1.409 509 I HN 0.108 nan 8.210 nan 0.000 0.557 510 D N 4.201 124.621 120.400 0.033 0.000 2.325 510 D HA 0.050 4.690 4.640 -0.000 0.000 0.251 510 D C 1.207 177.495 176.300 -0.020 0.000 1.196 510 D CA -0.127 53.882 54.000 0.015 0.000 0.866 510 D CB 1.010 41.827 40.800 0.028 0.000 1.101 510 D HN 0.650 nan 8.370 nan 0.000 0.476 511 T N 1.260 115.795 114.554 -0.031 0.000 3.072 511 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 511 T C 1.590 176.251 174.700 -0.065 0.000 1.127 511 T CA 0.400 62.461 62.100 -0.065 0.000 1.107 511 T CB -0.145 68.698 68.868 -0.042 0.000 0.910 511 T HN 0.540 nan 8.240 nan 0.000 0.513 512 R N 1.306 121.786 120.500 -0.033 0.000 2.323 512 R HA 0.187 4.527 4.340 -0.000 0.000 0.198 512 R C 0.422 176.710 176.300 -0.020 0.000 0.988 512 R CA -0.006 56.082 56.100 -0.020 0.000 1.041 512 R CB -0.268 30.032 30.300 0.000 0.000 0.926 512 R HN 0.410 nan 8.270 nan 0.000 0.476 513 E N 1.693 121.868 120.200 -0.041 0.000 2.415 513 E HA 0.019 4.369 4.350 -0.000 0.000 0.263 513 E C -1.717 174.860 176.600 -0.038 0.000 0.995 513 E CA -1.918 54.477 56.400 -0.009 0.000 0.915 513 E CB 1.238 30.959 29.700 0.035 0.000 0.951 513 E HN 0.058 nan 8.360 nan 0.000 0.449 514 P HA -0.221 nan 4.420 nan 0.000 0.217 514 P C 0.741 178.079 177.300 0.063 0.000 1.148 514 P CA 1.340 64.469 63.100 0.048 0.000 0.828 514 P CB -0.121 31.623 31.700 0.073 0.000 0.783 515 Y N -1.383 118.933 120.300 0.027 0.000 2.274 515 Y HA -0.075 4.475 4.550 -0.000 0.000 0.290 515 Y C 1.928 177.861 175.900 0.054 0.000 1.145 515 Y CA 0.906 59.018 58.100 0.019 0.000 1.203 515 Y CB -1.520 36.961 38.460 0.036 0.000 0.984 515 Y HN -0.093 nan 8.280 nan 0.000 0.533 516 I N -0.052 120.229 120.570 -0.483 0.000 2.296 516 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 516 I C 2.407 178.468 176.117 -0.094 0.000 1.087 516 I CA 0.966 62.083 61.300 -0.306 0.000 1.393 516 I CB -0.445 37.296 38.000 -0.431 0.000 1.093 516 I HN 0.139 nan 8.210 nan 0.000 0.421 517 Q N 1.254 121.007 119.800 -0.077 0.000 2.133 517 Q HA -0.283 4.057 4.340 -0.000 0.000 0.208 517 Q C 2.091 178.101 176.000 0.018 0.000 0.991 517 Q CA 1.795 57.589 55.803 -0.014 0.000 0.867 517 Q CB -0.357 28.378 28.738 -0.006 0.000 0.911 517 Q HN 0.287 nan 8.270 nan 0.000 0.417 518 K N -0.863 119.543 120.400 0.011 0.000 2.026 518 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 518 K C 1.855 178.482 176.600 0.045 0.000 1.048 518 K CA 1.274 57.577 56.287 0.027 0.000 0.929 518 K CB -0.205 32.298 32.500 0.005 0.000 0.713 518 K HN 0.220 nan 8.250 nan 0.000 0.439 519 A N 1.367 124.193 122.820 0.010 0.000 1.940 519 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 519 A C 2.132 179.811 177.584 0.159 0.000 1.176 519 A CA 1.323 53.383 52.037 0.037 0.000 0.631 519 A CB -0.494 18.572 19.000 0.110 0.000 0.814 519 A HN 0.332 nan 8.150 nan 0.000 0.446 520 L N -0.813 120.481 121.223 0.119 0.000 2.131 520 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 520 L C 1.859 178.818 176.870 0.148 0.000 1.087 520 L CA 1.052 55.964 54.840 0.120 0.000 0.767 520 L CB -0.485 41.615 42.059 0.070 0.000 0.917 520 L HN 0.252 nan 8.230 nan 0.000 0.441 521 D N -0.812 119.672 120.400 0.140 0.000 2.144 521 D HA -0.214 4.426 4.640 -0.000 0.000 0.200 521 D C 1.689 178.101 176.300 0.187 0.000 0.978 521 D CA 0.852 54.932 54.000 0.134 0.000 0.833 521 D CB -0.217 40.643 40.800 0.100 0.000 0.961 521 D HN 0.362 nan 8.370 nan 0.000 0.470 522 W N 1.633 122.952 121.300 0.032 0.000 2.318 522 W HA -0.268 4.392 4.660 -0.000 0.000 0.313 522 W C 2.090 178.658 176.519 0.082 0.000 1.221 522 W CA 1.545 58.905 57.345 0.025 0.000 1.266 522 W CB -0.338 29.063 29.460 -0.098 0.000 1.150 522 W HN -0.226 nan 8.180 nan 0.000 0.496 523 V N 1.111 121.237 119.914 0.353 0.000 2.255 523 V HA -0.352 3.767 4.120 -0.000 0.000 0.247 523 V C 2.215 178.473 176.094 0.273 0.000 1.051 523 V CA 2.485 64.902 62.300 0.194 0.000 1.018 523 V CB -1.119 30.772 31.823 0.114 0.000 0.641 523 V HN 0.236 nan 8.190 nan 0.000 0.445 524 E N -0.300 120.046 120.200 0.244 0.000 2.085 524 E HA -0.317 4.033 4.350 -0.000 0.000 0.194 524 E C 2.247 178.929 176.600 0.138 0.000 0.994 524 E CA 1.553 58.102 56.400 0.248 0.000 0.801 524 E CB -0.198 29.593 29.700 0.151 0.000 0.743 524 E HN 0.660 nan 8.360 nan 0.000 0.453 525 Q N -0.503 119.342 119.800 0.075 0.000 2.369 525 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 525 Q C 1.000 176.894 176.000 -0.176 0.000 0.963 525 Q CA 0.805 56.587 55.803 -0.035 0.000 0.894 525 Q CB 0.136 28.859 28.738 -0.024 0.000 0.965 525 Q HN 0.344 nan 8.270 nan 0.000 0.475 526 H N -0.965 117.958 119.070 -0.246 0.000 2.586 526 H HA 0.156 4.712 4.556 -0.000 0.000 0.273 526 H C -0.209 174.991 175.328 -0.214 0.000 0.997 526 H CA -0.157 55.734 56.048 -0.262 0.000 1.177 526 H CB 0.263 29.733 29.762 -0.487 0.000 1.471 526 H HN 0.133 nan 8.280 nan 0.000 0.538 527 Q N 1.568 121.207 119.800 -0.269 0.000 2.300 527 Q HA -0.003 4.337 4.340 -0.000 0.000 0.280 527 Q C -0.313 175.294 176.000 -0.654 0.000 1.033 527 Q CA -0.259 54.943 55.803 -1.003 0.000 0.903 527 Q CB 0.514 28.678 28.738 -0.956 0.000 1.195 527 Q HN 0.355 nan 8.270 nan 0.000 0.386 528 N N 4.150 122.441 118.700 -0.682 0.000 2.483 528 N HA 0.115 4.854 4.740 -0.000 0.000 0.269 528 N C -1.914 173.387 175.510 -0.349 0.000 1.209 528 N CA -1.432 51.371 53.050 -0.411 0.000 0.969 528 N CB 0.526 38.815 38.487 -0.330 0.000 1.173 528 N HN 0.461 nan 8.380 nan 0.000 0.475 529 P HA -0.133 nan 4.420 nan 0.000 0.218 529 P C 0.487 177.708 177.300 -0.132 0.000 1.146 529 P CA 1.207 64.208 63.100 -0.165 0.000 0.813 529 P CB 0.134 31.765 31.700 -0.114 0.000 0.778 530 D N -2.010 118.321 120.400 -0.116 0.000 2.363 530 D HA 0.036 4.676 4.640 -0.000 0.000 0.226 530 D C 1.532 177.837 176.300 0.009 0.000 1.020 530 D CA 0.961 54.957 54.000 -0.007 0.000 0.892 530 D CB -0.721 40.142 40.800 0.105 0.000 0.900 530 D HN 0.272 nan 8.370 nan 0.000 0.531 531 G N -0.831 107.847 108.800 -0.204 0.000 2.284 531 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 531 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 531 G C 0.702 175.265 174.900 -0.562 0.000 1.009 531 G CA 0.061 45.005 45.100 -0.260 0.000 0.625 531 G HN 0.796 nan 8.290 nan 0.000 0.501 532 G N -1.137 107.120 108.800 -0.903 0.000 2.588 532 G HA2 0.470 4.430 3.960 -0.000 0.000 0.281 532 G HA3 0.470 4.430 3.960 -0.000 0.000 0.281 532 G C -0.174 174.302 174.900 -0.707 0.000 1.236 532 G CA -0.298 44.108 45.100 -1.157 0.000 0.969 532 G HN 0.298 nan 8.290 nan 0.000 0.504 533 W N -1.016 120.034 121.300 -0.416 0.000 2.761 533 W HA 0.599 5.259 4.660 -0.000 0.000 0.340 533 W C 0.160 176.560 176.519 -0.198 0.000 1.072 533 W CA -0.632 56.574 57.345 -0.232 0.000 1.215 533 W CB 2.442 31.822 29.460 -0.134 0.000 1.420 533 W HN 0.830 nan 8.180 nan 0.000 0.519 534 G N 0.892 109.746 108.800 0.089 0.000 2.694 534 G HA2 0.582 4.542 3.960 -0.000 0.000 0.290 534 G HA3 0.582 4.542 3.960 -0.000 0.000 0.290 534 G C -1.948 173.005 174.900 0.088 0.000 1.386 534 G CA -0.560 44.566 45.100 0.043 0.000 0.872 534 G HN 0.346 nan 8.290 nan 0.000 0.475 535 E N 0.005 120.246 120.200 0.068 0.000 2.415 535 E HA 0.240 4.589 4.350 -0.000 0.000 0.302 535 E C -1.850 174.772 176.600 0.037 0.000 0.907 535 E CA -0.563 55.903 56.400 0.110 0.000 0.798 535 E CB 2.109 31.918 29.700 0.181 0.000 1.315 535 E HN 0.442 nan 8.360 nan 0.000 0.396 536 D N 1.998 122.419 120.400 0.036 0.000 2.313 536 D HA 0.134 4.773 4.640 -0.000 0.000 0.247 536 D C 0.729 176.901 176.300 -0.214 0.000 1.094 536 D CA -0.340 53.604 54.000 -0.093 0.000 0.925 536 D CB 0.972 41.722 40.800 -0.082 0.000 1.188 536 D HN 0.485 nan 8.370 nan 0.000 0.430 537 C N 1.813 120.803 119.300 -0.516 0.000 2.419 537 C HA -0.045 4.415 4.460 -0.000 0.000 0.283 537 C C 2.314 177.023 174.990 -0.468 0.000 1.373 537 C CA 0.201 58.733 59.018 -0.811 0.000 1.781 537 C CB -1.083 25.352 27.740 -2.176 0.000 1.886 537 C HN 0.673 nan 8.230 nan 0.000 0.520 538 R N 0.629 120.917 120.500 -0.353 0.000 2.211 538 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 538 R C 2.378 178.659 176.300 -0.033 0.000 1.144 538 R CA 1.375 57.347 56.100 -0.213 0.000 0.992 538 R CB -0.400 29.495 30.300 -0.676 0.000 0.869 538 R HN 0.539 nan 8.270 nan 0.000 0.462 539 S N -0.213 115.483 115.700 -0.008 0.000 2.400 539 S HA -0.170 4.300 4.470 -0.000 0.000 0.232 539 S C 1.460 176.075 174.600 0.025 0.000 1.025 539 S CA 1.112 59.357 58.200 0.075 0.000 0.993 539 S CB -0.127 63.048 63.200 -0.041 0.000 0.808 539 S HN 0.382 nan 8.310 nan 0.000 0.478 540 Y N 1.300 121.693 120.300 0.154 0.000 2.293 540 Y HA 0.084 4.634 4.550 -0.000 0.000 0.291 540 Y C 2.554 178.592 175.900 0.229 0.000 1.137 540 Y CA 1.167 59.400 58.100 0.221 0.000 1.202 540 Y CB 0.051 38.660 38.460 0.247 0.000 0.990 540 Y HN 0.332 nan 8.280 nan 0.000 0.537 541 E N -0.985 119.402 120.200 0.312 0.000 2.489 541 E HA 0.035 4.385 4.350 -0.000 0.000 0.204 541 E C -0.374 176.349 176.600 0.205 0.000 1.006 541 E CA 0.291 56.837 56.400 0.244 0.000 0.936 541 E CB 0.550 30.383 29.700 0.222 0.000 1.002 541 E HN 0.208 nan 8.360 nan 0.000 0.488 542 D N 0.386 120.919 120.400 0.222 0.000 2.575 542 D HA 0.170 4.810 4.640 -0.000 0.000 0.250 542 D C -2.114 174.335 176.300 0.248 0.000 1.279 542 D CA -2.235 51.904 54.000 0.231 0.000 0.925 542 D CB 2.073 43.043 40.800 0.284 0.000 1.261 542 D HN -0.303 nan 8.370 nan 0.000 0.567 543 P HA -0.096 nan 4.420 nan 0.000 0.216 543 P C 1.057 178.439 177.300 0.137 0.000 1.150 543 P CA 1.125 64.316 63.100 0.153 0.000 0.843 543 P CB 0.188 31.945 31.700 0.096 0.000 0.787 544 A N -2.192 120.699 122.820 0.119 0.000 2.178 544 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 544 A C 1.507 179.049 177.584 -0.070 0.000 1.157 544 A CA 1.059 53.106 52.037 0.017 0.000 0.689 544 A CB -1.536 17.450 19.000 -0.025 0.000 0.787 544 A HN 0.200 nan 8.150 nan 0.000 0.465 545 Y N -0.516 119.841 120.300 0.095 0.000 2.457 545 Y HA 0.428 4.978 4.550 -0.000 0.000 0.263 545 Y C 1.469 177.462 175.900 0.156 0.000 1.164 545 Y CA -0.236 57.922 58.100 0.096 0.000 1.274 545 Y CB -0.056 38.448 38.460 0.074 0.000 1.097 545 Y HN 0.292 nan 8.280 nan 0.000 0.523 546 A N 0.595 123.592 122.820 0.295 0.000 2.553 546 A HA 0.328 4.648 4.320 -0.000 0.000 0.258 546 A C 1.616 179.445 177.584 0.409 0.000 1.069 546 A CA 0.882 53.145 52.037 0.377 0.000 0.767 546 A CB -1.052 18.074 19.000 0.211 0.000 0.997 546 A HN 0.898 nan 8.150 nan 0.000 0.512 547 G N 1.726 110.794 108.800 0.447 0.000 2.258 547 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.274 547 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.274 547 G C 0.149 175.208 174.900 0.264 0.000 1.021 547 G CA 1.112 46.426 45.100 0.356 0.000 0.798 547 G HN 1.080 nan 8.290 nan 0.000 0.507 548 K N -0.266 120.254 120.400 0.199 0.000 2.345 548 K HA 0.670 4.990 4.320 -0.000 0.000 0.255 548 K C 0.288 176.974 176.600 0.143 0.000 0.934 548 K CA 0.034 56.366 56.287 0.075 0.000 0.801 548 K CB 1.425 33.868 32.500 -0.095 0.000 1.137 548 K HN 1.115 nan 8.250 nan 0.000 0.424 549 G N 1.365 110.193 108.800 0.047 0.000 2.328 549 G HA2 0.385 4.345 3.960 -0.000 0.000 0.299 549 G HA3 0.385 4.345 3.960 -0.000 0.000 0.299 549 G C -1.515 173.316 174.900 -0.114 0.000 1.435 549 G CA -0.524 44.573 45.100 -0.005 0.000 0.865 549 G HN 0.699 nan 8.290 nan 0.000 0.601 550 A N 0.378 123.048 122.820 -0.251 0.000 2.498 550 A HA 0.593 4.913 4.320 -0.000 0.000 0.239 550 A C 1.091 178.572 177.584 -0.172 0.000 1.068 550 A CA 0.804 52.704 52.037 -0.229 0.000 0.766 550 A CB -0.038 18.760 19.000 -0.338 0.000 1.003 550 A HN 1.630 nan 8.150 nan 0.000 0.497 551 S N 0.865 116.522 115.700 -0.071 0.000 2.549 551 S HA 0.412 4.882 4.470 -0.000 0.000 0.286 551 S C 0.724 175.370 174.600 0.078 0.000 1.314 551 S CA 0.488 58.645 58.200 -0.071 0.000 1.062 551 S CB 0.239 63.299 63.200 -0.234 0.000 0.865 551 S HN 1.070 nan 8.310 nan 0.000 0.498 552 T N 0.363 114.949 114.554 0.053 0.000 2.907 552 T HA 0.514 4.863 4.350 -0.000 0.000 0.292 552 T C -2.339 172.402 174.700 0.068 0.000 1.043 552 T CA -2.102 60.073 62.100 0.124 0.000 1.003 552 T CB 1.870 70.788 68.868 0.083 0.000 1.084 552 T HN 0.217 nan 8.240 nan 0.000 0.483 553 P HA -0.147 nan 4.420 nan 0.000 0.217 553 P C 1.776 178.893 177.300 -0.305 0.000 1.150 553 P CA 1.555 64.579 63.100 -0.127 0.000 0.832 553 P CB -0.066 31.454 31.700 -0.300 0.000 0.787 554 S N -0.372 115.116 115.700 -0.354 0.000 2.371 554 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 554 S C 2.175 175.985 174.600 -1.317 0.000 1.029 554 S CA 0.739 58.496 58.200 -0.739 0.000 0.978 554 S CB -1.237 61.620 63.200 -0.571 0.000 0.833 554 S HN 0.160 nan 8.310 nan 0.000 0.466 555 Q N 0.627 119.939 119.800 -0.814 0.000 2.123 555 Q HA -0.013 4.327 4.340 -0.000 0.000 0.199 555 Q C 2.261 178.107 176.000 -0.257 0.000 0.966 555 Q CA 1.634 57.136 55.803 -0.502 0.000 0.845 555 Q CB -0.539 28.141 28.738 -0.096 0.000 0.907 555 Q HN 0.593 nan 8.270 nan 0.000 0.439 556 T N 1.068 115.517 114.554 -0.174 0.000 2.684 556 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 556 T C 1.934 176.533 174.700 -0.169 0.000 1.036 556 T CA 1.360 63.452 62.100 -0.013 0.000 1.148 556 T CB -0.342 68.533 68.868 0.010 0.000 0.863 556 T HN 0.421 nan 8.240 nan 0.000 0.436 557 A N 1.063 123.703 122.820 -0.300 0.000 1.908 557 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 557 A C 2.149 179.616 177.584 -0.195 0.000 1.181 557 A CA 1.459 53.335 52.037 -0.269 0.000 0.627 557 A CB -0.932 17.887 19.000 -0.302 0.000 0.818 557 A HN 0.612 nan 8.150 nan 0.000 0.445 558 W N -0.510 120.619 121.300 -0.285 0.000 2.388 558 W HA 0.024 4.684 4.660 -0.000 0.000 0.294 558 W C 2.783 179.101 176.519 -0.335 0.000 1.212 558 W CA 0.621 57.777 57.345 -0.315 0.000 1.271 558 W CB -1.333 27.951 29.460 -0.293 0.000 1.126 558 W HN 0.455 nan 8.180 nan 0.000 0.535 559 A N 0.028 122.673 122.820 -0.292 0.000 1.898 559 A HA -0.133 4.186 4.320 -0.000 0.000 0.216 559 A C 2.037 179.235 177.584 -0.644 0.000 1.181 559 A CA 1.293 52.892 52.037 -0.730 0.000 0.620 559 A CB -0.906 17.013 19.000 -1.802 0.000 0.819 559 A HN 0.090 nan 8.150 nan 0.000 0.442 560 L N -0.931 119.992 121.223 -0.500 0.000 2.131 560 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 560 L C 2.543 179.335 176.870 -0.130 0.000 1.092 560 L CA 1.778 56.464 54.840 -0.256 0.000 0.759 560 L CB -1.004 40.967 42.059 -0.146 0.000 0.903 560 L HN 0.425 nan 8.230 nan 0.000 0.435 561 M N -1.943 117.597 119.600 -0.100 0.000 2.254 561 M HA -0.107 4.372 4.480 -0.000 0.000 0.265 561 M C 2.204 178.479 176.300 -0.042 0.000 1.066 561 M CA 1.312 56.593 55.300 -0.031 0.000 1.123 561 M CB -0.197 32.412 32.600 0.015 0.000 1.388 561 M HN 0.253 nan 8.290 nan 0.000 0.425 562 A N 0.575 123.348 122.820 -0.078 0.000 1.855 562 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 562 A C 2.029 179.592 177.584 -0.035 0.000 1.191 562 A CA 1.339 53.342 52.037 -0.058 0.000 0.613 562 A CB -0.943 18.023 19.000 -0.057 0.000 0.829 562 A HN 0.435 nan 8.150 nan 0.000 0.442 563 L N -0.705 120.485 121.223 -0.055 0.000 2.083 563 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 563 L C 2.490 179.372 176.870 0.020 0.000 1.083 563 L CA 1.276 56.111 54.840 -0.007 0.000 0.752 563 L CB -0.534 41.523 42.059 -0.003 0.000 0.899 563 L HN 0.379 nan 8.230 nan 0.000 0.433 564 I N -0.243 120.339 120.570 0.020 0.000 2.286 564 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 564 I C 2.756 178.891 176.117 0.030 0.000 1.104 564 I CA 0.985 62.315 61.300 0.050 0.000 1.397 564 I CB -0.349 37.694 38.000 0.071 0.000 1.072 564 I HN 0.155 nan 8.210 nan 0.000 0.417 565 A N 0.562 123.389 122.820 0.013 0.000 1.972 565 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 565 A C 2.208 179.791 177.584 -0.002 0.000 1.169 565 A CA 1.747 53.785 52.037 0.003 0.000 0.635 565 A CB -1.100 17.892 19.000 -0.013 0.000 0.810 565 A HN 0.471 nan 8.150 nan 0.000 0.446 566 G N -2.268 106.533 108.800 0.001 0.000 3.141 566 G HA2 0.387 4.347 3.960 -0.000 0.000 0.218 566 G HA3 0.387 4.347 3.960 -0.000 0.000 0.218 566 G C 1.072 175.980 174.900 0.012 0.000 1.170 566 G CA 0.463 45.563 45.100 0.001 0.000 0.769 566 G HN 1.584 nan 8.290 nan 0.000 0.546 567 G N 0.353 109.166 108.800 0.021 0.000 2.176 567 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 567 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 567 G C 1.116 176.039 174.900 0.039 0.000 0.979 567 G CA 0.117 45.233 45.100 0.026 0.000 0.641 567 G HN 0.464 nan 8.290 nan 0.000 0.530 568 R N 0.201 120.731 120.500 0.049 0.000 2.391 568 R HA 0.498 4.838 4.340 -0.000 0.000 0.249 568 R C 2.317 178.673 176.300 0.092 0.000 0.957 568 R CA 0.731 56.870 56.100 0.065 0.000 1.093 568 R CB -0.059 30.280 30.300 0.065 0.000 1.156 568 R HN 0.518 nan 8.270 nan 0.000 0.526 569 A N 1.317 124.197 122.820 0.101 0.000 2.024 569 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 569 A C 1.678 179.394 177.584 0.220 0.000 1.164 569 A CA 1.294 53.433 52.037 0.169 0.000 0.643 569 A CB -0.079 19.003 19.000 0.138 0.000 0.806 569 A HN 0.300 nan 8.150 nan 0.000 0.451 570 E N 0.335 120.621 120.200 0.143 0.000 2.444 570 E HA 0.076 4.426 4.350 -0.000 0.000 0.191 570 E C 0.315 176.984 176.600 0.116 0.000 1.041 570 E CA 0.172 56.654 56.400 0.137 0.000 0.883 570 E CB 0.171 29.924 29.700 0.087 0.000 1.024 570 E HN 0.700 nan 8.360 nan 0.000 0.470 571 S N -0.298 115.469 115.700 0.112 0.000 2.593 571 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 571 S C 1.008 175.665 174.600 0.095 0.000 1.334 571 S CA -0.499 57.757 58.200 0.093 0.000 1.015 571 S CB 1.275 64.530 63.200 0.092 0.000 0.912 571 S HN 0.130 nan 8.310 nan 0.000 0.541 572 E N 1.403 121.646 120.200 0.072 0.000 2.118 572 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 572 E C 2.288 178.922 176.600 0.057 0.000 0.992 572 E CA 1.312 57.745 56.400 0.056 0.000 0.804 572 E CB -0.447 29.272 29.700 0.032 0.000 0.741 572 E HN 0.821 nan 8.360 nan 0.000 0.458 573 A N 1.469 124.338 122.820 0.082 0.000 1.873 573 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 573 A C 2.406 180.112 177.584 0.204 0.000 1.186 573 A CA 1.603 53.713 52.037 0.123 0.000 0.616 573 A CB -0.633 18.492 19.000 0.208 0.000 0.823 573 A HN 0.294 nan 8.150 nan 0.000 0.442 574 A N -0.466 122.462 122.820 0.180 0.000 1.933 574 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 574 A C 2.227 179.820 177.584 0.014 0.000 1.175 574 A CA 1.786 53.897 52.037 0.123 0.000 0.628 574 A CB -0.464 18.598 19.000 0.103 0.000 0.814 574 A HN 0.537 nan 8.150 nan 0.000 0.444 575 R N -0.485 120.046 120.500 0.052 0.000 2.081 575 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 575 R C 2.387 178.701 176.300 0.024 0.000 1.131 575 R CA 1.660 57.786 56.100 0.043 0.000 0.960 575 R CB -0.204 30.154 30.300 0.097 0.000 0.856 575 R HN 0.519 nan 8.270 nan 0.000 0.436 576 R N -0.969 119.545 120.500 0.024 0.000 2.115 576 R HA -0.025 4.315 4.340 -0.000 0.000 0.230 576 R C 2.288 178.602 176.300 0.024 0.000 1.111 576 R CA 1.092 57.194 56.100 0.003 0.000 0.976 576 R CB -0.311 29.953 30.300 -0.060 0.000 0.870 576 R HN 0.369 nan 8.270 nan 0.000 0.445 577 G N 0.553 109.388 108.800 0.059 0.000 2.418 577 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 577 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 577 G C 1.450 176.424 174.900 0.124 0.000 1.158 577 G CA 0.628 45.830 45.100 0.169 0.000 0.771 577 G HN 0.112 nan 8.290 nan 0.000 0.545 578 V N 0.665 120.566 119.914 -0.021 0.000 2.295 578 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 578 V C 2.799 178.948 176.094 0.092 0.000 1.049 578 V CA 2.373 64.637 62.300 -0.060 0.000 1.024 578 V CB -0.440 31.202 31.823 -0.302 0.000 0.648 578 V HN 0.472 nan 8.190 nan 0.000 0.447 579 Q N -0.699 119.160 119.800 0.097 0.000 2.170 579 Q HA -0.248 4.092 4.340 -0.000 0.000 0.203 579 Q C 1.969 178.051 176.000 0.137 0.000 0.976 579 Q CA 2.099 57.970 55.803 0.113 0.000 0.858 579 Q CB -0.601 28.189 28.738 0.086 0.000 0.907 579 Q HN 0.783 nan 8.270 nan 0.000 0.433 580 Y N -0.196 120.130 120.300 0.044 0.000 2.163 580 Y HA -0.126 4.424 4.550 -0.000 0.000 0.288 580 Y C 1.544 177.524 175.900 0.133 0.000 1.136 580 Y CA 1.621 59.754 58.100 0.055 0.000 1.147 580 Y CB -0.207 38.260 38.460 0.012 0.000 0.987 580 Y HN 0.128 nan 8.280 nan 0.000 0.509 581 L N -0.762 120.606 121.223 0.242 0.000 2.042 581 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 581 L C 2.402 179.496 176.870 0.373 0.000 1.076 581 L CA 1.363 56.364 54.840 0.269 0.000 0.749 581 L CB -0.878 41.289 42.059 0.181 0.000 0.893 581 L HN 0.165 nan 8.230 nan 0.000 0.432 582 V N -0.246 119.805 119.914 0.229 0.000 2.407 582 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 582 V C 2.326 178.456 176.094 0.060 0.000 1.055 582 V CA 1.776 64.176 62.300 0.168 0.000 1.049 582 V CB -0.404 31.504 31.823 0.143 0.000 0.662 582 V HN 0.464 nan 8.190 nan 0.000 0.455 583 E N -0.108 120.101 120.200 0.015 0.000 2.230 583 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 583 E C 2.155 178.694 176.600 -0.103 0.000 0.987 583 E CA 1.460 57.832 56.400 -0.047 0.000 0.841 583 E CB -0.022 29.652 29.700 -0.044 0.000 0.783 583 E HN 0.797 nan 8.360 nan 0.000 0.481 584 T N -1.914 112.564 114.554 -0.126 0.000 3.044 584 T HA 0.001 4.351 4.350 -0.000 0.000 0.250 584 T C 0.963 175.554 174.700 -0.182 0.000 1.081 584 T CA -0.291 61.727 62.100 -0.138 0.000 1.040 584 T CB 0.207 68.920 68.868 -0.258 0.000 0.962 584 T HN -0.057 nan 8.240 nan 0.000 0.506 585 Q N 1.990 121.584 119.800 -0.343 0.000 2.286 585 Q HA 0.073 4.412 4.340 -0.000 0.000 0.290 585 Q C -0.162 175.494 176.000 -0.574 0.000 1.049 585 Q CA -0.155 55.052 55.803 -0.993 0.000 0.923 585 Q CB 0.559 28.734 28.738 -0.939 0.000 1.183 585 Q HN 0.454 nan 8.270 nan 0.000 0.383 586 R N 4.220 124.374 120.500 -0.577 0.000 2.738 586 R HA 0.029 4.369 4.340 -0.000 0.000 0.268 586 R C -1.663 174.445 176.300 -0.320 0.000 1.062 586 R CA -1.303 54.587 56.100 -0.350 0.000 1.158 586 R CB -0.209 29.908 30.300 -0.306 0.000 1.046 586 R HN 0.577 nan 8.270 nan 0.000 0.493 587 P HA -0.203 nan 4.420 nan 0.000 0.216 587 P C 0.514 177.714 177.300 -0.166 0.000 1.150 587 P CA 1.413 64.415 63.100 -0.163 0.000 0.843 587 P CB 0.032 31.666 31.700 -0.109 0.000 0.787 588 D N -1.567 118.720 120.400 -0.187 0.000 2.378 588 D HA -0.026 4.613 4.640 -0.000 0.000 0.222 588 D C 1.487 177.658 176.300 -0.215 0.000 0.980 588 D CA 1.191 55.102 54.000 -0.149 0.000 0.907 588 D CB -0.914 39.825 40.800 -0.102 0.000 0.899 588 D HN 0.290 nan 8.370 nan 0.000 0.527 589 G N -1.013 107.566 108.800 -0.368 0.000 2.213 589 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.226 589 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.226 589 G C 0.670 175.185 174.900 -0.642 0.000 0.992 589 G CA 0.203 45.070 45.100 -0.389 0.000 0.632 589 G HN 0.807 nan 8.290 nan 0.000 0.511 590 G N -1.486 106.730 108.800 -0.973 0.000 2.508 590 G HA2 0.507 4.467 3.960 -0.000 0.000 0.278 590 G HA3 0.507 4.467 3.960 -0.000 0.000 0.278 590 G C -0.334 174.308 174.900 -0.431 0.000 1.389 590 G CA -0.375 44.292 45.100 -0.721 0.000 1.050 590 G HN 0.335 nan 8.290 nan 0.000 0.522 591 W N -0.891 120.495 121.300 0.144 0.000 3.127 591 W HA 0.293 4.953 4.660 -0.000 0.000 0.330 591 W C -1.133 175.408 176.519 0.036 0.000 1.187 591 W CA -0.559 56.808 57.345 0.037 0.000 1.198 591 W CB 2.145 31.616 29.460 0.018 0.000 1.408 591 W HN 0.374 nan 8.180 nan 0.000 0.529 592 D N 1.432 121.969 120.400 0.227 0.000 2.283 592 D HA 0.211 4.851 4.640 -0.000 0.000 0.248 592 D C -0.487 175.914 176.300 0.167 0.000 1.072 592 D CA 0.332 54.425 54.000 0.155 0.000 0.929 592 D CB 1.769 42.628 40.800 0.098 0.000 1.182 592 D HN 0.325 nan 8.370 nan 0.000 0.433 593 E N 1.570 121.848 120.200 0.130 0.000 2.646 593 E HA 0.153 4.503 4.350 -0.000 0.000 0.336 593 E C -2.267 174.403 176.600 0.116 0.000 1.027 593 E CA -1.122 55.369 56.400 0.153 0.000 0.765 593 E CB 1.303 31.093 29.700 0.150 0.000 1.545 593 E HN 0.075 nan 8.360 nan 0.000 0.382 594 P HA 0.085 nan 4.420 nan 0.000 0.253 594 P C -0.762 176.341 177.300 -0.328 0.000 1.260 594 P CA 0.206 63.206 63.100 -0.166 0.000 0.800 594 P CB -0.168 31.353 31.700 -0.298 0.000 1.162 595 Y N -0.810 119.561 120.300 0.117 0.000 2.446 595 Y HA 0.360 4.910 4.550 -0.000 0.000 0.338 595 Y C 0.735 176.796 175.900 0.267 0.000 1.055 595 Y CA -1.290 56.880 58.100 0.117 0.000 1.101 595 Y CB 0.715 39.231 38.460 0.094 0.000 1.221 595 Y HN -0.195 nan 8.280 nan 0.000 0.460 596 Y N 0.977 121.433 120.300 0.260 0.000 2.425 596 Y HA 0.156 4.706 4.550 -0.000 0.000 0.331 596 Y C 1.259 177.282 175.900 0.205 0.000 1.157 596 Y CA -0.707 57.516 58.100 0.204 0.000 1.372 596 Y CB 0.753 39.318 38.460 0.176 0.000 1.253 596 Y HN 0.693 nan 8.280 nan 0.000 0.536 597 T N -1.477 113.330 114.554 0.421 0.000 3.170 597 T HA 0.417 4.767 4.350 -0.000 0.000 0.288 597 T C 0.437 175.434 174.700 0.495 0.000 0.992 597 T CA -0.020 62.344 62.100 0.439 0.000 0.909 597 T CB -0.124 68.999 68.868 0.426 0.000 1.133 597 T HN 0.663 nan 8.240 nan 0.000 0.530 598 G N 0.270 109.317 108.800 0.412 0.000 2.432 598 G HA2 0.578 4.538 3.960 -0.000 0.000 0.331 598 G HA3 0.578 4.538 3.960 -0.000 0.000 0.331 598 G C -1.156 173.918 174.900 0.290 0.000 1.170 598 G CA -0.618 44.724 45.100 0.405 0.000 0.943 598 G HN 0.188 nan 8.290 nan 0.000 0.483 599 T N 0.580 115.246 114.554 0.187 0.000 2.840 599 T HA 0.511 4.861 4.350 -0.000 0.000 0.287 599 T C 1.142 175.791 174.700 -0.084 0.000 0.991 599 T CA 0.212 62.312 62.100 0.000 0.000 0.964 599 T CB 1.720 70.489 68.868 -0.165 0.000 0.954 599 T HN 0.646 nan 8.240 nan 0.000 0.438 600 G N 2.074 110.739 108.800 -0.226 0.000 2.518 600 G HA2 0.246 4.206 3.960 -0.000 0.000 0.213 600 G HA3 0.246 4.206 3.960 -0.000 0.000 0.213 600 G C -0.334 173.966 174.900 -1.000 0.000 1.226 600 G CA 0.424 45.252 45.100 -0.455 0.000 0.822 600 G HN 0.548 nan 8.290 nan 0.000 0.546 601 F N 0.972 120.664 119.950 -0.429 0.000 2.536 601 F HA 0.478 5.005 4.527 -0.000 0.000 0.322 601 F C -2.429 172.979 175.800 -0.655 0.000 1.144 601 F CA -3.165 54.508 58.000 -0.545 0.000 0.924 601 F CB 2.008 40.731 39.000 -0.462 0.000 1.181 601 F HN -0.137 nan 8.300 nan 0.000 0.438 602 P HA 0.116 nan 4.420 nan 0.000 0.259 602 P C 0.894 178.039 177.300 -0.258 0.000 1.163 602 P CA 1.684 64.442 63.100 -0.570 0.000 0.760 602 P CB 0.427 32.076 31.700 -0.084 0.000 0.762 603 G N 3.356 112.080 108.800 -0.127 0.000 2.336 603 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.233 603 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.233 603 G C 0.728 175.661 174.900 0.055 0.000 1.053 603 G CA 0.442 45.617 45.100 0.123 0.000 0.625 603 G HN 0.497 nan 8.290 nan 0.000 0.511 604 D N -1.261 119.006 120.400 -0.221 0.000 2.489 604 D HA 0.399 5.039 4.640 -0.000 0.000 0.231 604 D C -0.210 176.085 176.300 -0.009 0.000 1.114 604 D CA 0.219 54.119 54.000 -0.167 0.000 0.842 604 D CB 0.867 41.304 40.800 -0.605 0.000 1.133 604 D HN 0.316 nan 8.370 nan 0.000 0.506 605 F N 1.015 120.675 119.950 -0.484 0.000 2.689 605 F HA 0.339 4.866 4.527 -0.000 0.000 0.332 605 F C -1.779 173.678 175.800 -0.572 0.000 1.209 605 F CA -0.808 57.032 58.000 -0.267 0.000 1.028 605 F CB 1.037 39.978 39.000 -0.099 0.000 1.291 605 F HN -0.323 nan 8.300 nan 0.000 0.500 606 Y N 5.061 125.280 120.300 -0.136 0.000 2.549 606 Y HA 0.799 5.349 4.550 -0.000 0.000 0.339 606 Y C -0.863 174.941 175.900 -0.160 0.000 1.053 606 Y CA -1.167 56.933 58.100 -0.001 0.000 1.105 606 Y CB 1.958 40.552 38.460 0.224 0.000 1.258 606 Y HN 0.362 nan 8.280 nan 0.000 0.478 607 L N 1.175 122.368 121.223 -0.049 0.000 2.410 607 L HA 0.640 4.980 4.340 -0.000 0.000 0.270 607 L C 0.141 176.599 176.870 -0.687 0.000 0.983 607 L CA -0.962 53.621 54.840 -0.428 0.000 0.822 607 L CB 2.186 44.078 42.059 -0.278 0.000 1.285 607 L HN 0.875 nan 8.230 nan 0.000 0.409 608 G N 1.711 109.820 108.800 -1.151 0.000 2.546 608 G HA2 0.326 4.286 3.960 -0.000 0.000 0.320 608 G HA3 0.326 4.286 3.960 -0.000 0.000 0.320 608 G C -0.866 173.854 174.900 -0.300 0.000 0.984 608 G CA -0.143 44.587 45.100 -0.616 0.000 1.183 608 G HN 0.406 nan 8.290 nan 0.000 0.443 609 Y N 2.598 122.712 120.300 -0.309 0.000 2.640 609 Y HA 0.092 4.642 4.550 -0.000 0.000 0.355 609 Y C 2.267 178.076 175.900 -0.152 0.000 1.088 609 Y CA 0.121 58.015 58.100 -0.345 0.000 1.443 609 Y CB 0.641 38.485 38.460 -1.027 0.000 1.224 609 Y HN 0.661 nan 8.280 nan 0.000 0.516 610 T N -1.368 113.225 114.554 0.064 0.000 2.977 610 T HA -0.173 4.177 4.350 -0.000 0.000 0.271 610 T C 1.601 176.396 174.700 0.159 0.000 1.105 610 T CA 1.072 63.234 62.100 0.103 0.000 1.116 610 T CB 0.018 68.935 68.868 0.081 0.000 0.878 610 T HN 0.500 nan 8.240 nan 0.000 0.509 611 M N -0.547 119.189 119.600 0.227 0.000 2.514 611 M HA 0.187 4.667 4.480 -0.000 0.000 0.258 611 M C 1.486 177.962 176.300 0.292 0.000 1.119 611 M CA 0.436 55.902 55.300 0.277 0.000 1.111 611 M CB -0.712 32.045 32.600 0.263 0.000 1.390 611 M HN 0.196 nan 8.290 nan 0.000 0.475 612 Y N 1.856 122.256 120.300 0.166 0.000 2.151 612 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 612 Y C 2.549 178.495 175.900 0.077 0.000 1.166 612 Y CA 1.669 59.907 58.100 0.230 0.000 1.163 612 Y CB -1.051 37.643 38.460 0.389 0.000 0.974 612 Y HN 0.397 nan 8.280 nan 0.000 0.511 613 R N -0.655 119.910 120.500 0.109 0.000 2.120 613 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 613 R C 1.460 177.697 176.300 -0.105 0.000 1.123 613 R CA 1.911 57.960 56.100 -0.085 0.000 0.975 613 R CB -0.740 29.462 30.300 -0.163 0.000 0.866 613 R HN 0.395 nan 8.270 nan 0.000 0.446 614 H N -0.171 119.046 119.070 0.245 0.000 2.439 614 H HA 0.100 4.656 4.556 -0.000 0.000 0.299 614 H C 2.225 177.622 175.328 0.114 0.000 1.033 614 H CA 0.820 57.056 56.048 0.313 0.000 1.348 614 H CB -0.295 29.715 29.762 0.412 0.000 1.449 614 H HN 0.067 nan 8.280 nan 0.000 0.544 615 V N 0.957 120.920 119.914 0.081 0.000 2.358 615 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 615 V C 2.076 178.006 176.094 -0.274 0.000 1.047 615 V CA 1.510 63.699 62.300 -0.186 0.000 1.035 615 V CB -0.602 30.986 31.823 -0.391 0.000 0.658 615 V HN 0.059 nan 8.190 nan 0.000 0.452 616 F N 0.439 120.288 119.950 -0.169 0.000 2.163 616 F HA 0.094 4.620 4.527 -0.000 0.000 0.297 616 F C -0.089 175.546 175.800 -0.276 0.000 1.094 616 F CA 1.277 59.142 58.000 -0.226 0.000 1.290 616 F CB -2.011 36.819 39.000 -0.285 0.000 1.017 616 F HN 0.290 nan 8.300 nan 0.000 0.483 617 P HA -0.114 nan 4.420 nan 0.000 0.219 617 P C 1.516 178.681 177.300 -0.224 0.000 1.146 617 P CA 1.830 64.676 63.100 -0.424 0.000 0.808 617 P CB -0.208 30.794 31.700 -1.163 0.000 0.779 618 T N -0.404 114.082 114.554 -0.114 0.000 2.777 618 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 618 T C 1.640 176.308 174.700 -0.054 0.000 1.040 618 T CA 0.852 62.943 62.100 -0.015 0.000 1.141 618 T CB -0.821 68.051 68.868 0.006 0.000 0.868 618 T HN 0.020 nan 8.240 nan 0.000 0.444 619 L N 1.422 122.593 121.223 -0.086 0.000 2.027 619 L HA 0.126 4.466 4.340 -0.000 0.000 0.206 619 L C 2.611 179.472 176.870 -0.016 0.000 1.074 619 L CA 1.837 56.635 54.840 -0.070 0.000 0.745 619 L CB -1.012 41.011 42.059 -0.060 0.000 0.898 619 L HN 0.207 nan 8.230 nan 0.000 0.433 620 A N -0.419 122.400 122.820 -0.002 0.000 1.865 620 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 620 A C 2.257 179.836 177.584 -0.009 0.000 1.191 620 A CA 2.122 54.153 52.037 -0.010 0.000 0.623 620 A CB -1.014 17.952 19.000 -0.057 0.000 0.826 620 A HN 0.491 nan 8.150 nan 0.000 0.444 621 L N -0.764 120.444 121.223 -0.024 0.000 2.201 621 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 621 L C 2.733 179.591 176.870 -0.020 0.000 1.105 621 L CA 0.738 55.572 54.840 -0.011 0.000 0.775 621 L CB -0.661 41.417 42.059 0.031 0.000 0.913 621 L HN 0.525 nan 8.230 nan 0.000 0.440 622 G N -0.213 108.578 108.800 -0.016 0.000 2.404 622 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 622 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 622 G C 1.719 176.603 174.900 -0.027 0.000 1.174 622 G CA 0.119 45.201 45.100 -0.029 0.000 0.780 622 G HN 0.172 nan 8.290 nan 0.000 0.537 623 R N -0.699 119.800 120.500 -0.002 0.000 2.096 623 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 623 R C 2.217 178.531 176.300 0.023 0.000 1.127 623 R CA 1.027 57.136 56.100 0.015 0.000 0.968 623 R CB -0.799 29.523 30.300 0.038 0.000 0.861 623 R HN 0.533 nan 8.270 nan 0.000 0.440 624 Y N 2.130 122.356 120.300 -0.124 0.000 2.200 624 Y HA -0.134 4.416 4.550 -0.000 0.000 0.290 624 Y C 2.427 178.193 175.900 -0.224 0.000 1.137 624 Y CA 1.285 59.283 58.100 -0.169 0.000 1.163 624 Y CB -0.084 38.238 38.460 -0.230 0.000 0.988 624 Y HN -0.187 nan 8.280 nan 0.000 0.518 625 K N 0.818 121.032 120.400 -0.309 0.000 2.032 625 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 625 K C 2.007 178.518 176.600 -0.150 0.000 1.048 625 K CA 2.220 58.343 56.287 -0.273 0.000 0.927 625 K CB -0.284 32.152 32.500 -0.108 0.000 0.712 625 K HN 0.728 nan 8.250 nan 0.000 0.441 626 Q N -0.650 119.093 119.800 -0.095 0.000 2.224 626 Q HA -0.009 4.331 4.340 -0.000 0.000 0.203 626 Q C 1.592 177.550 176.000 -0.069 0.000 0.970 626 Q CA 1.168 56.936 55.803 -0.058 0.000 0.865 626 Q CB -0.325 28.396 28.738 -0.029 0.000 0.922 626 Q HN 0.203 nan 8.270 nan 0.000 0.445 627 A N 0.609 123.368 122.820 -0.101 0.000 2.277 627 A HA 0.118 4.438 4.320 -0.000 0.000 0.208 627 A C 0.369 177.881 177.584 -0.120 0.000 1.202 627 A CA 0.340 52.321 52.037 -0.093 0.000 0.762 627 A CB -0.341 18.613 19.000 -0.075 0.000 0.770 627 A HN 0.353 nan 8.150 nan 0.000 0.487 628 I N -0.607 119.888 120.570 -0.125 0.000 2.447 628 I HA 0.672 4.842 4.170 -0.000 0.000 0.287 628 I C 0.102 176.195 176.117 -0.041 0.000 1.023 628 I CA 0.747 61.997 61.300 -0.082 0.000 1.083 628 I CB 1.971 39.914 38.000 -0.095 0.000 1.245 628 I HN 0.310 nan 8.210 nan 0.000 0.434 629 E N 0.000 120.185 120.200 -0.025 0.000 2.725 629 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 629 E CA 0.000 nan 56.400 nan 0.000 0.976 629 E CB 0.000 nan 29.700 nan 0.000 0.812 629 E HN 0.000 nan 8.360 nan 0.000 0.440