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 3hhe_1_A DATA FIRST_RESID 23 DATA SEQUENCE NVQQLKKMAA LKALEFVEDD MRLGIGSGST VNEFIPLLGE RVANGLRVTC DATA SEQUENCE VATSQYSEQL CHKFGVPIST LEKIPELDLD IDGADEIGPE MTLIKGGGGA DATA SEQUENCE LLHEKIVASA SRAMFVIADE TKMVKTLGAF ALPIEVNPFG IHATRIAIEK DATA SEQUENCE AADNLGLSGE ITLRMNGDDP FKTDGGHFIF DAFWGRILQP KLLSEALLAI DATA SEQUENCE PGVVEHGLFL GLASRAIVAM ADSQIKVLEP FDF 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 23 N HA 0.000 nan 4.740 nan 0.000 0.220 23 N C 0.000 175.520 175.510 0.017 0.000 1.280 23 N CA 0.000 53.059 53.050 0.015 0.000 0.885 23 N CB 0.000 38.495 38.487 0.014 0.000 1.341 24 V N 0.530 120.455 119.914 0.017 0.000 2.453 24 V HA 0.063 4.183 4.120 -0.000 0.000 0.247 24 V C 2.143 178.249 176.094 0.020 0.000 1.048 24 V CA 2.153 64.464 62.300 0.018 0.000 1.049 24 V CB -0.922 30.912 31.823 0.019 0.000 0.672 24 V HN 0.448 nan 8.190 nan 0.000 0.457 25 Q N -0.147 119.666 119.800 0.021 0.000 2.181 25 Q HA -0.300 4.040 4.340 -0.000 0.000 0.205 25 Q C 2.410 178.424 176.000 0.023 0.000 0.980 25 Q CA 2.396 58.213 55.803 0.023 0.000 0.862 25 Q CB -0.051 28.701 28.738 0.023 0.000 0.905 25 Q HN 0.819 nan 8.270 nan 0.000 0.429 26 Q N -0.125 119.687 119.800 0.020 0.000 2.020 26 Q HA -0.088 4.251 4.340 -0.000 0.000 0.198 26 Q C 2.126 178.139 176.000 0.023 0.000 0.974 26 Q CA 1.022 56.837 55.803 0.020 0.000 0.829 26 Q CB 0.039 28.787 28.738 0.017 0.000 0.894 26 Q HN 0.369 nan 8.270 nan 0.000 0.433 27 L N 0.352 121.589 121.223 0.022 0.000 2.079 27 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 27 L C 2.278 179.165 176.870 0.028 0.000 1.081 27 L CA 1.403 56.257 54.840 0.024 0.000 0.752 27 L CB -0.411 41.660 42.059 0.020 0.000 0.896 27 L HN 0.162 nan 8.230 nan 0.000 0.433 28 K N 0.220 120.637 120.400 0.028 0.000 2.057 28 K HA -0.223 4.096 4.320 -0.000 0.000 0.207 28 K C 2.195 178.824 176.600 0.049 0.000 1.049 28 K CA 1.432 57.739 56.287 0.034 0.000 0.931 28 K CB -0.103 32.416 32.500 0.031 0.000 0.714 28 K HN 0.121 nan 8.250 nan 0.000 0.440 29 K N 0.902 121.327 120.400 0.042 0.000 2.057 29 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 29 K C 2.080 178.710 176.600 0.051 0.000 1.050 29 K CA 1.237 57.550 56.287 0.044 0.000 0.935 29 K CB 0.041 32.556 32.500 0.024 0.000 0.715 29 K HN 0.024 nan 8.250 nan 0.000 0.439 30 M N 0.080 119.705 119.600 0.043 0.000 2.080 30 M HA -0.172 4.308 4.480 -0.000 0.000 0.260 30 M C 2.316 178.655 176.300 0.066 0.000 1.068 30 M CA 1.834 57.161 55.300 0.046 0.000 1.109 30 M CB -0.315 32.306 32.600 0.035 0.000 1.342 30 M HN 0.308 nan 8.290 nan 0.000 0.405 31 A N 0.323 123.183 122.820 0.066 0.000 1.883 31 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 31 A C 2.358 180.015 177.584 0.122 0.000 1.186 31 A CA 2.097 54.180 52.037 0.078 0.000 0.624 31 A CB -1.085 17.945 19.000 0.050 0.000 0.822 31 A HN 0.524 nan 8.150 nan 0.000 0.444 32 A N -0.473 122.432 122.820 0.142 0.000 1.902 32 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 32 A C 2.179 179.934 177.584 0.285 0.000 1.181 32 A CA 1.552 53.751 52.037 0.270 0.000 0.623 32 A CB -0.604 18.559 19.000 0.272 0.000 0.818 32 A HN 0.469 nan 8.150 nan 0.000 0.443 33 L N -0.842 120.470 121.223 0.150 0.000 2.046 33 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 33 L C 2.588 179.530 176.870 0.120 0.000 1.077 33 L CA 1.881 56.779 54.840 0.096 0.000 0.747 33 L CB -0.331 41.754 42.059 0.044 0.000 0.896 33 L HN 0.348 nan 8.230 nan 0.000 0.432 34 K N 0.492 120.972 120.400 0.134 0.000 2.057 34 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 34 K C 2.037 178.801 176.600 0.273 0.000 1.050 34 K CA 1.558 57.933 56.287 0.147 0.000 0.935 34 K CB -0.400 32.185 32.500 0.142 0.000 0.715 34 K HN 0.207 nan 8.250 nan 0.000 0.439 35 A N 0.592 123.620 122.820 0.347 0.000 1.972 35 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 35 A C 2.062 179.976 177.584 0.549 0.000 1.169 35 A CA 1.554 53.889 52.037 0.497 0.000 0.635 35 A CB -0.715 18.449 19.000 0.274 0.000 0.810 35 A HN 0.374 nan 8.150 nan 0.000 0.446 36 L N 0.426 121.932 121.223 0.472 0.000 2.187 36 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 36 L C 2.036 179.007 176.870 0.168 0.000 1.100 36 L CA 2.102 57.151 54.840 0.348 0.000 0.765 36 L CB -0.606 41.523 42.059 0.116 0.000 0.904 36 L HN 0.525 nan 8.230 nan 0.000 0.437 37 E N -1.267 118.974 120.200 0.069 0.000 2.265 37 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 37 E C 1.664 178.152 176.600 -0.187 0.000 0.996 37 E CA 1.109 57.433 56.400 -0.126 0.000 0.832 37 E CB -0.209 29.319 29.700 -0.287 0.000 0.756 37 E HN 0.554 nan 8.360 nan 0.000 0.491 38 F N 0.314 120.343 119.950 0.131 0.000 2.797 38 F HA 0.042 4.569 4.527 -0.000 0.000 0.302 38 F C 0.760 176.587 175.800 0.045 0.000 1.130 38 F CA -0.054 58.016 58.000 0.117 0.000 1.387 38 F CB 0.403 39.538 39.000 0.224 0.000 1.107 38 F HN -0.253 nan 8.300 nan 0.000 0.577 39 V N 1.295 121.324 119.914 0.191 0.000 2.432 39 V HA 0.179 4.298 4.120 -0.000 0.000 0.271 39 V C -0.068 176.065 176.094 0.065 0.000 1.046 39 V CA -0.549 61.822 62.300 0.119 0.000 0.945 39 V CB 0.891 32.798 31.823 0.141 0.000 0.992 39 V HN 0.135 nan 8.190 nan 0.000 0.471 40 E N 2.301 122.529 120.200 0.048 0.000 2.320 40 E HA 0.365 4.715 4.350 -0.000 0.000 0.264 40 E C -0.932 175.680 176.600 0.019 0.000 0.923 40 E CA -0.953 55.464 56.400 0.030 0.000 0.796 40 E CB 1.277 30.996 29.700 0.033 0.000 1.262 40 E HN 0.605 nan 8.360 nan 0.000 0.428 41 D N 1.844 122.252 120.400 0.013 0.000 2.472 41 D HA -0.047 4.593 4.640 -0.000 0.000 0.237 41 D C -0.273 176.033 176.300 0.009 0.000 1.141 41 D CA 1.048 55.053 54.000 0.009 0.000 0.875 41 D CB 0.383 41.187 40.800 0.007 0.000 1.192 41 D HN 0.466 nan 8.370 nan 0.000 0.450 42 D N 0.596 121.001 120.400 0.008 0.000 3.076 42 D HA -0.214 4.426 4.640 -0.000 0.000 0.218 42 D C 0.288 176.591 176.300 0.005 0.000 1.156 42 D CA 0.628 54.632 54.000 0.006 0.000 0.921 42 D CB -1.098 39.706 40.800 0.006 0.000 1.113 42 D HN 0.463 nan 8.370 nan 0.000 0.418 43 M N 0.308 119.912 119.600 0.006 0.000 2.235 43 M HA 0.168 4.648 4.480 -0.000 0.000 0.351 43 M C 0.764 177.064 176.300 0.000 0.000 1.178 43 M CA 0.304 55.605 55.300 0.001 0.000 1.143 43 M CB 0.934 33.535 32.600 0.001 0.000 1.530 43 M HN -0.208 nan 8.290 nan 0.000 0.461 44 R N 3.743 124.239 120.500 -0.007 0.000 2.229 44 R HA 0.598 4.938 4.340 -0.000 0.000 0.328 44 R C -1.266 175.025 176.300 -0.014 0.000 1.009 44 R CA -0.407 55.689 56.100 -0.007 0.000 0.864 44 R CB 0.661 30.956 30.300 -0.008 0.000 1.085 44 R HN 0.613 nan 8.270 nan 0.000 0.453 45 L N 1.579 122.800 121.223 -0.003 0.000 2.346 45 L HA 0.512 4.852 4.340 -0.000 0.000 0.276 45 L C 0.694 177.563 176.870 -0.002 0.000 1.006 45 L CA -0.988 53.849 54.840 -0.005 0.000 0.817 45 L CB 2.105 44.183 42.059 0.033 0.000 1.272 45 L HN 0.699 nan 8.230 nan 0.000 0.421 46 G N 3.630 112.419 108.800 -0.019 0.000 2.353 46 G HA2 0.531 4.491 3.960 -0.000 0.000 0.284 46 G HA3 0.531 4.491 3.960 -0.000 0.000 0.284 46 G C -0.448 174.450 174.900 -0.004 0.000 1.172 46 G CA -0.343 44.752 45.100 -0.009 0.000 0.854 46 G HN 0.300 nan 8.290 nan 0.000 0.485 47 I N 2.909 123.491 120.570 0.020 0.000 2.354 47 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 47 I C 1.197 177.331 176.117 0.029 0.000 1.007 47 I CA -0.625 60.695 61.300 0.034 0.000 1.167 47 I CB 0.701 38.746 38.000 0.075 0.000 1.320 47 I HN 0.560 nan 8.210 nan 0.000 0.458 48 G N 5.080 113.878 108.800 -0.004 0.000 2.468 48 G HA2 0.459 4.419 3.960 -0.000 0.000 0.264 48 G HA3 0.459 4.419 3.960 -0.000 0.000 0.264 48 G C -0.299 174.621 174.900 0.033 0.000 1.460 48 G CA -0.121 44.982 45.100 0.005 0.000 1.060 48 G HN 0.579 nan 8.290 nan 0.000 0.543 49 S N -2.365 113.350 115.700 0.025 0.000 2.618 49 S HA 0.836 5.306 4.470 -0.000 0.000 0.277 49 S C 0.003 174.624 174.600 0.034 0.000 1.138 49 S CA 0.145 58.381 58.200 0.060 0.000 0.844 49 S CB 1.742 64.990 63.200 0.078 0.000 1.127 49 S HN 2.191 nan 8.310 nan 0.000 0.474 50 G N 1.001 109.843 108.800 0.069 0.000 2.479 50 G HA2 0.020 3.980 3.960 -0.000 0.000 0.686 50 G HA3 0.020 3.980 3.960 -0.000 0.000 0.686 50 G C 0.539 175.473 174.900 0.057 0.000 1.295 50 G CA 0.066 45.187 45.100 0.035 0.000 0.922 50 G HN 1.335 nan 8.290 nan 0.000 0.582 51 S N -1.367 114.354 115.700 0.035 0.000 2.382 51 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 51 S C 2.222 176.855 174.600 0.055 0.000 1.027 51 S CA 2.600 60.830 58.200 0.051 0.000 0.991 51 S CB -0.566 62.651 63.200 0.029 0.000 0.823 51 S HN 1.215 nan 8.310 nan 0.000 0.469 52 T N 2.310 116.882 114.554 0.030 0.000 2.777 52 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 52 T C 1.887 176.624 174.700 0.061 0.000 1.040 52 T CA 1.342 63.461 62.100 0.031 0.000 1.141 52 T CB -0.564 68.301 68.868 -0.005 0.000 0.868 52 T HN 0.300 nan 8.240 nan 0.000 0.444 53 V N 2.688 122.632 119.914 0.051 0.000 2.626 53 V HA -0.115 4.005 4.120 -0.000 0.000 0.252 53 V C 2.189 178.377 176.094 0.157 0.000 1.067 53 V CA 1.195 63.550 62.300 0.091 0.000 1.081 53 V CB -0.657 31.193 31.823 0.046 0.000 0.686 53 V HN 0.454 nan 8.190 nan 0.000 0.468 54 N N 0.154 118.935 118.700 0.136 0.000 2.381 54 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 54 N C 1.704 177.263 175.510 0.082 0.000 1.025 54 N CA 0.773 53.909 53.050 0.143 0.000 0.888 54 N CB -0.144 38.474 38.487 0.218 0.000 0.965 54 N HN 0.478 nan 8.380 nan 0.000 0.438 55 E N -0.297 119.953 120.200 0.083 0.000 2.299 55 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 55 E C 1.406 178.030 176.600 0.040 0.000 0.998 55 E CA 0.112 56.536 56.400 0.040 0.000 0.851 55 E CB -0.185 29.548 29.700 0.055 0.000 0.795 55 E HN 0.401 nan 8.360 nan 0.000 0.492 56 F N 0.890 120.808 119.950 -0.054 0.000 2.270 56 F HA 0.056 4.583 4.527 -0.000 0.000 0.295 56 F C 1.984 177.729 175.800 -0.092 0.000 1.087 56 F CA 0.566 58.535 58.000 -0.053 0.000 1.365 56 F CB 0.025 39.015 39.000 -0.017 0.000 1.056 56 F HN -0.147 nan 8.300 nan 0.000 0.506 57 I N 1.624 122.161 120.570 -0.055 0.000 2.179 57 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 57 I C -0.554 175.324 176.117 -0.397 0.000 1.088 57 I CA 1.159 62.359 61.300 -0.166 0.000 1.357 57 I CB -1.850 36.151 38.000 0.002 0.000 1.051 57 I HN 0.109 nan 8.210 nan 0.000 0.409 58 P HA -0.140 nan 4.420 nan 0.000 0.217 58 P C 2.007 178.976 177.300 -0.552 0.000 1.150 58 P CA 1.506 63.963 63.100 -1.070 0.000 0.832 58 P CB -0.094 30.681 31.700 -1.542 0.000 0.787 59 L N -1.257 119.702 121.223 -0.440 0.000 2.043 59 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 59 L C 2.618 179.272 176.870 -0.361 0.000 1.075 59 L CA 1.153 55.789 54.840 -0.340 0.000 0.752 59 L CB -1.293 40.581 42.059 -0.309 0.000 0.891 59 L HN -0.018 nan 8.230 nan 0.000 0.432 60 L N 0.437 121.340 121.223 -0.533 0.000 2.012 60 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 60 L C 2.374 179.111 176.870 -0.222 0.000 1.073 60 L CA 2.235 56.810 54.840 -0.442 0.000 0.748 60 L CB -1.111 40.606 42.059 -0.570 0.000 0.891 60 L HN 0.148 nan 8.230 nan 0.000 0.431 61 G N -1.369 107.322 108.800 -0.183 0.000 2.422 61 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 61 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 61 G C 1.436 176.315 174.900 -0.036 0.000 1.146 61 G CA 0.786 45.860 45.100 -0.044 0.000 0.769 61 G HN 0.534 nan 8.290 nan 0.000 0.547 62 E N -0.010 120.140 120.200 -0.083 0.000 2.118 62 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 62 E C 2.727 179.296 176.600 -0.051 0.000 0.992 62 E CA 0.622 56.990 56.400 -0.053 0.000 0.804 62 E CB -0.067 29.587 29.700 -0.075 0.000 0.741 62 E HN 0.336 nan 8.360 nan 0.000 0.458 63 R N 0.094 120.547 120.500 -0.078 0.000 2.090 63 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 63 R C 2.342 178.619 176.300 -0.038 0.000 1.110 63 R CA 0.845 56.908 56.100 -0.061 0.000 0.973 63 R CB -0.109 30.143 30.300 -0.079 0.000 0.869 63 R HN 0.082 nan 8.270 nan 0.000 0.440 64 V N 0.940 120.833 119.914 -0.036 0.000 2.427 64 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 64 V C 2.329 178.421 176.094 -0.004 0.000 1.051 64 V CA 1.860 64.150 62.300 -0.015 0.000 1.048 64 V CB -0.511 31.308 31.823 -0.007 0.000 0.666 64 V HN 0.354 nan 8.190 nan 0.000 0.456 65 A N 0.070 122.890 122.820 -0.000 0.000 2.121 65 A HA -0.099 4.220 4.320 -0.000 0.000 0.218 65 A C 1.654 179.237 177.584 -0.000 0.000 1.154 65 A CA 1.263 53.304 52.037 0.006 0.000 0.679 65 A CB -0.384 18.625 19.000 0.016 0.000 0.795 65 A HN 0.582 nan 8.150 nan 0.000 0.458 66 N N -0.938 117.757 118.700 -0.008 0.000 2.279 66 N HA 0.264 5.004 4.740 -0.000 0.000 0.226 66 N C 0.968 176.473 175.510 -0.008 0.000 1.126 66 N CA 0.925 53.970 53.050 -0.009 0.000 0.846 66 N CB 0.909 39.388 38.487 -0.013 0.000 1.050 66 N HN 0.561 nan 8.380 nan 0.000 0.502 67 G N 0.362 109.159 108.800 -0.006 0.000 2.278 67 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.210 67 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.210 67 G C -0.024 174.873 174.900 -0.005 0.000 1.000 67 G CA -0.322 44.776 45.100 -0.005 0.000 0.635 67 G HN 0.308 nan 8.290 nan 0.000 0.495 68 L N 2.530 123.747 121.223 -0.009 0.000 2.540 68 L HA 0.538 4.878 4.340 -0.000 0.000 0.276 68 L C 0.669 177.537 176.870 -0.003 0.000 1.212 68 L CA 0.215 55.050 54.840 -0.008 0.000 0.893 68 L CB 0.235 42.284 42.059 -0.015 0.000 1.138 68 L HN 0.282 nan 8.230 nan 0.000 0.491 69 R N 5.366 125.866 120.500 0.001 0.000 2.229 69 R HA 0.645 4.985 4.340 -0.000 0.000 0.332 69 R C -1.170 175.134 176.300 0.007 0.000 0.989 69 R CA -0.599 55.504 56.100 0.004 0.000 0.842 69 R CB 1.241 31.544 30.300 0.005 0.000 1.119 69 R HN 0.622 nan 8.270 nan 0.000 0.456 70 V N -1.067 118.852 119.914 0.009 0.000 3.147 70 V HA 0.664 4.784 4.120 -0.000 0.000 0.306 70 V C -0.561 175.541 176.094 0.014 0.000 1.209 70 V CA -0.877 61.430 62.300 0.012 0.000 1.023 70 V CB 2.409 34.242 31.823 0.018 0.000 1.059 70 V HN 0.626 nan 8.190 nan 0.000 0.435 71 T N 1.128 115.690 114.554 0.014 0.000 2.848 71 T HA 0.660 5.010 4.350 -0.000 0.000 0.285 71 T C -0.642 174.067 174.700 0.014 0.000 0.995 71 T CA -0.315 61.794 62.100 0.014 0.000 0.970 71 T CB 1.245 70.119 68.868 0.011 0.000 0.976 71 T HN 1.005 nan 8.240 nan 0.000 0.441 72 C N 2.453 121.762 119.300 0.014 0.000 2.507 72 C HA 0.761 5.220 4.460 -0.000 0.000 0.319 72 C C 0.065 175.058 174.990 0.006 0.000 1.208 72 C CA -0.785 58.242 59.018 0.015 0.000 1.619 72 C CB 1.265 29.018 27.740 0.022 0.000 2.230 72 C HN 0.743 nan 8.230 nan 0.000 0.492 73 V N 2.905 122.822 119.914 0.006 0.000 2.347 73 V HA 0.634 4.754 4.120 -0.000 0.000 0.280 73 V C 0.586 176.688 176.094 0.013 0.000 1.021 73 V CA -0.175 62.127 62.300 0.004 0.000 0.847 73 V CB 1.072 32.894 31.823 -0.002 0.000 0.990 73 V HN 1.077 nan 8.190 nan 0.000 0.444 74 A N 3.448 126.274 122.820 0.011 0.000 2.322 74 A HA 0.594 4.913 4.320 -0.000 0.000 0.269 74 A C 1.088 178.714 177.584 0.069 0.000 1.094 74 A CA 0.292 52.345 52.037 0.027 0.000 0.807 74 A CB 0.600 19.597 19.000 -0.005 0.000 1.047 74 A HN 1.014 nan 8.150 nan 0.000 0.487 75 T N -1.960 112.651 114.554 0.094 0.000 3.054 75 T HA 0.412 4.762 4.350 -0.000 0.000 0.255 75 T C 0.381 175.185 174.700 0.172 0.000 1.035 75 T CA 0.509 62.702 62.100 0.154 0.000 0.941 75 T CB -0.702 68.246 68.868 0.133 0.000 1.026 75 T HN 1.521 nan 8.240 nan 0.000 0.533 76 S N -0.486 115.294 115.700 0.133 0.000 2.615 76 S HA 0.379 4.849 4.470 -0.000 0.000 0.269 76 S C 0.322 174.990 174.600 0.112 0.000 1.161 76 S CA -0.949 57.321 58.200 0.116 0.000 0.817 76 S CB 1.549 64.822 63.200 0.122 0.000 1.131 76 S HN 0.038 nan 8.310 nan 0.000 0.467 77 Q N -0.382 119.490 119.800 0.119 0.000 2.079 77 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 77 Q C 1.401 177.479 176.000 0.131 0.000 0.974 77 Q CA 1.679 57.552 55.803 0.116 0.000 0.840 77 Q CB -0.356 28.452 28.738 0.116 0.000 0.898 77 Q HN 0.766 nan 8.270 nan 0.000 0.430 78 Y N 1.275 121.610 120.300 0.060 0.000 2.200 78 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 78 Y C 2.438 178.375 175.900 0.062 0.000 1.137 78 Y CA 1.499 59.636 58.100 0.061 0.000 1.163 78 Y CB -0.101 38.397 38.460 0.062 0.000 0.988 78 Y HN -0.012 nan 8.280 nan 0.000 0.518 79 S N -0.064 115.675 115.700 0.064 0.000 2.383 79 S HA -0.252 4.218 4.470 -0.000 0.000 0.229 79 S C 1.938 176.489 174.600 -0.081 0.000 1.030 79 S CA 1.589 59.783 58.200 -0.009 0.000 1.002 79 S CB -0.366 62.870 63.200 0.059 0.000 0.829 79 S HN 0.581 nan 8.310 nan 0.000 0.467 80 E N 0.913 121.071 120.200 -0.070 0.000 2.072 80 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 80 E C 2.302 178.762 176.600 -0.233 0.000 0.985 80 E CA 0.743 57.046 56.400 -0.160 0.000 0.801 80 E CB -0.105 29.540 29.700 -0.091 0.000 0.750 80 E HN 0.541 nan 8.360 nan 0.000 0.452 81 Q N 0.437 120.159 119.800 -0.129 0.000 2.030 81 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 81 Q C 2.409 178.320 176.000 -0.148 0.000 0.986 81 Q CA 1.481 57.228 55.803 -0.093 0.000 0.843 81 Q CB -0.094 28.568 28.738 -0.126 0.000 0.904 81 Q HN 0.347 nan 8.270 nan 0.000 0.420 82 L N -0.179 120.892 121.223 -0.254 0.000 2.079 82 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 82 L C 2.678 179.590 176.870 0.070 0.000 1.081 82 L CA 0.900 55.688 54.840 -0.086 0.000 0.752 82 L CB -0.496 41.500 42.059 -0.105 0.000 0.896 82 L HN 0.484 nan 8.230 nan 0.000 0.433 83 C N -1.065 118.206 119.300 -0.049 0.000 2.432 83 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 83 C C 2.765 177.748 174.990 -0.012 0.000 1.249 83 C CA 0.346 59.338 59.018 -0.043 0.000 1.725 83 C CB -1.087 26.561 27.740 -0.152 0.000 2.028 83 C HN 0.516 nan 8.230 nan 0.000 0.477 84 H N 0.890 119.956 119.070 -0.007 0.000 2.319 84 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 84 H C 2.230 177.511 175.328 -0.077 0.000 1.092 84 H CA 1.817 57.846 56.048 -0.033 0.000 1.302 84 H CB -0.690 29.047 29.762 -0.042 0.000 1.373 84 H HN 0.525 nan 8.280 nan 0.000 0.497 85 K N 0.252 120.637 120.400 -0.025 0.000 2.113 85 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 85 K C 0.798 177.154 176.600 -0.407 0.000 1.047 85 K CA 1.382 57.504 56.287 -0.275 0.000 0.928 85 K CB -0.106 32.114 32.500 -0.467 0.000 0.716 85 K HN 0.144 nan 8.250 nan 0.000 0.446 86 F N -0.153 119.789 119.950 -0.013 0.000 2.647 86 F HA 0.280 4.807 4.527 -0.000 0.000 0.300 86 F C 1.017 176.805 175.800 -0.020 0.000 1.106 86 F CA 0.122 58.107 58.000 -0.025 0.000 1.313 86 F CB 1.208 40.179 39.000 -0.047 0.000 1.007 86 F HN 0.238 nan 8.300 nan 0.000 0.536 87 G N 0.851 109.718 108.800 0.113 0.000 2.179 87 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 87 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 87 G C -0.060 174.883 174.900 0.072 0.000 1.010 87 G CA 0.116 45.264 45.100 0.081 0.000 0.736 87 G HN 0.159 nan 8.290 nan 0.000 0.513 88 V N 1.596 121.554 119.914 0.074 0.000 2.408 88 V HA 0.336 4.456 4.120 -0.000 0.000 0.267 88 V C -1.318 174.799 176.094 0.039 0.000 1.047 88 V CA -1.440 60.884 62.300 0.039 0.000 0.937 88 V CB 1.109 32.946 31.823 0.022 0.000 0.999 88 V HN 0.158 nan 8.190 nan 0.000 0.472 89 P HA 0.215 nan 4.420 nan 0.000 0.268 89 P C -0.646 176.673 177.300 0.032 0.000 1.204 89 P CA 0.081 63.209 63.100 0.047 0.000 0.768 89 P CB 0.476 32.197 31.700 0.034 0.000 0.842 90 I N 1.950 122.549 120.570 0.049 0.000 2.465 90 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 90 I C 0.522 176.665 176.117 0.045 0.000 1.014 90 I CA -0.070 61.245 61.300 0.026 0.000 1.093 90 I CB 1.642 39.643 38.000 0.001 0.000 1.267 90 I HN 0.340 nan 8.210 nan 0.000 0.431 91 S N 3.890 119.605 115.700 0.024 0.000 2.971 91 S HA 0.829 5.299 4.470 -0.000 0.000 0.320 91 S C -0.455 174.153 174.600 0.013 0.000 1.111 91 S CA -0.148 58.065 58.200 0.022 0.000 0.870 91 S CB 1.852 65.060 63.200 0.014 0.000 1.331 91 S HN 0.747 nan 8.310 nan 0.000 0.635 92 T N -0.574 113.983 114.554 0.005 0.000 2.883 92 T HA 0.537 4.887 4.350 -0.000 0.000 0.296 92 T C 0.816 175.507 174.700 -0.015 0.000 1.117 92 T CA -0.767 61.330 62.100 -0.006 0.000 1.006 92 T CB 0.717 69.581 68.868 -0.007 0.000 1.191 92 T HN 0.388 nan 8.240 nan 0.000 0.508 93 L N 0.209 121.416 121.223 -0.027 0.000 2.376 93 L HA 0.047 4.387 4.340 -0.000 0.000 0.219 93 L C 2.693 179.547 176.870 -0.027 0.000 1.133 93 L CA 1.080 55.902 54.840 -0.031 0.000 0.816 93 L CB -0.394 41.637 42.059 -0.046 0.000 0.933 93 L HN 0.815 nan 8.230 nan 0.000 0.449 94 E N 0.966 121.151 120.200 -0.026 0.000 2.051 94 E HA -0.212 4.137 4.350 -0.000 0.000 0.192 94 E C 2.063 178.654 176.600 -0.014 0.000 0.991 94 E CA 1.582 57.970 56.400 -0.020 0.000 0.799 94 E CB 0.119 29.808 29.700 -0.018 0.000 0.748 94 E HN 0.277 nan 8.360 nan 0.000 0.449 95 K N -0.144 120.249 120.400 -0.010 0.000 2.103 95 K HA 0.053 4.373 4.320 -0.000 0.000 0.204 95 K C 0.690 177.286 176.600 -0.007 0.000 1.052 95 K CA 1.261 57.544 56.287 -0.006 0.000 0.945 95 K CB -0.051 32.448 32.500 -0.002 0.000 0.722 95 K HN 0.327 nan 8.250 nan 0.000 0.443 96 I N -1.136 119.428 120.570 -0.009 0.000 2.621 96 I HA 0.251 4.421 4.170 -0.000 0.000 0.276 96 I C -2.304 173.804 176.117 -0.015 0.000 1.118 96 I CA -2.193 59.102 61.300 -0.010 0.000 1.159 96 I CB 1.401 39.397 38.000 -0.007 0.000 1.357 96 I HN -0.201 nan 8.210 nan 0.000 0.513 97 P HA -0.074 nan 4.420 nan 0.000 0.221 97 P C 0.015 177.303 177.300 -0.020 0.000 1.150 97 P CA 1.287 64.375 63.100 -0.020 0.000 0.800 97 P CB 0.356 32.045 31.700 -0.018 0.000 0.787 98 E N 0.396 120.586 120.200 -0.017 0.000 2.155 98 E HA 0.440 4.790 4.350 -0.000 0.000 0.264 98 E C -0.359 176.230 176.600 -0.017 0.000 0.886 98 E CA -0.681 55.709 56.400 -0.017 0.000 0.752 98 E CB 1.703 31.395 29.700 -0.014 0.000 1.133 98 E HN 0.123 nan 8.360 nan 0.000 0.414 99 L N 2.203 123.413 121.223 -0.021 0.000 2.344 99 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 99 L C 1.005 177.855 176.870 -0.034 0.000 1.035 99 L CA -0.738 54.087 54.840 -0.026 0.000 0.807 99 L CB 0.946 42.988 42.059 -0.028 0.000 1.237 99 L HN 0.487 nan 8.230 nan 0.000 0.442 100 D N 0.807 121.183 120.400 -0.040 0.000 2.137 100 D HA 0.059 4.699 4.640 -0.000 0.000 0.202 100 D C -0.019 176.222 176.300 -0.098 0.000 0.970 100 D CA 1.488 55.456 54.000 -0.054 0.000 0.837 100 D CB 0.528 41.300 40.800 -0.046 0.000 0.981 100 D HN 0.095 nan 8.370 nan 0.000 0.475 101 L N 0.576 121.725 121.223 -0.124 0.000 2.526 101 L HA 0.301 4.640 4.340 -0.000 0.000 0.263 101 L C -1.912 174.853 176.870 -0.174 0.000 0.943 101 L CA -0.695 54.011 54.840 -0.224 0.000 0.859 101 L CB 2.480 44.334 42.059 -0.340 0.000 1.313 101 L HN -0.323 nan 8.230 nan 0.000 0.406 102 D N 4.441 124.741 120.400 -0.168 0.000 2.192 102 D HA 0.562 5.202 4.640 -0.000 0.000 0.246 102 D C -1.126 175.083 176.300 -0.153 0.000 1.042 102 D CA -0.209 53.725 54.000 -0.111 0.000 0.847 102 D CB 1.172 41.947 40.800 -0.041 0.000 1.186 102 D HN 0.375 nan 8.370 nan 0.000 0.461 103 I N 3.559 124.021 120.570 -0.179 0.000 2.410 103 I HA 0.393 4.563 4.170 -0.000 0.000 0.286 103 I C -0.374 175.599 176.117 -0.240 0.000 1.009 103 I CA -0.531 60.597 61.300 -0.286 0.000 1.111 103 I CB 1.083 38.709 38.000 -0.624 0.000 1.262 103 I HN 0.404 nan 8.210 nan 0.000 0.443 104 D N 3.122 123.412 120.400 -0.183 0.000 2.596 104 D HA 0.674 5.314 4.640 -0.000 0.000 0.262 104 D C -0.159 176.048 176.300 -0.156 0.000 1.210 104 D CA -0.124 53.789 54.000 -0.146 0.000 0.873 104 D CB 2.892 43.627 40.800 -0.107 0.000 1.408 104 D HN 0.570 nan 8.370 nan 0.000 0.441 105 G N -0.779 107.930 108.800 -0.151 0.000 2.568 105 G HA2 0.754 4.714 3.960 -0.000 0.000 0.293 105 G HA3 0.754 4.714 3.960 -0.000 0.000 0.293 105 G C -1.180 173.581 174.900 -0.231 0.000 1.347 105 G CA -0.107 44.898 45.100 -0.159 0.000 1.039 105 G HN 0.568 nan 8.290 nan 0.000 0.523 106 A N -1.310 121.364 122.820 -0.243 0.000 2.594 106 A HA 0.602 4.922 4.320 -0.000 0.000 0.295 106 A C 0.039 177.417 177.584 -0.344 0.000 1.071 106 A CA -0.427 51.414 52.037 -0.326 0.000 0.685 106 A CB 1.336 20.143 19.000 -0.321 0.000 1.285 106 A HN 0.411 nan 8.150 nan 0.000 0.405 107 D N 0.455 120.558 120.400 -0.495 0.000 2.213 107 D HA 0.066 4.706 4.640 -0.000 0.000 0.205 107 D C 0.027 175.997 176.300 -0.550 0.000 0.961 107 D CA 1.373 54.914 54.000 -0.765 0.000 0.853 107 D CB 0.558 40.410 40.800 -1.580 0.000 0.967 107 D HN 0.674 nan 8.370 nan 0.000 0.496 108 E N -0.193 119.775 120.200 -0.387 0.000 2.366 108 E HA 0.484 4.834 4.350 -0.000 0.000 0.278 108 E C -0.846 175.633 176.600 -0.201 0.000 0.923 108 E CA -0.500 55.772 56.400 -0.213 0.000 0.761 108 E CB 2.918 32.540 29.700 -0.130 0.000 1.231 108 E HN -0.112 nan 8.360 nan 0.000 0.443 109 I N 1.870 122.343 120.570 -0.163 0.000 2.448 109 I HA 0.434 4.604 4.170 -0.000 0.000 0.281 109 I C 0.346 176.343 176.117 -0.201 0.000 1.027 109 I CA -0.432 60.714 61.300 -0.257 0.000 1.111 109 I CB 1.653 39.458 38.000 -0.325 0.000 1.236 109 I HN 0.529 nan 8.210 nan 0.000 0.452 110 G N 5.642 114.324 108.800 -0.197 0.000 3.119 110 G HA2 0.619 4.579 3.960 -0.000 0.000 0.206 110 G HA3 0.619 4.579 3.960 -0.000 0.000 0.206 110 G C -2.927 171.947 174.900 -0.044 0.000 1.313 110 G CA -1.778 43.294 45.100 -0.046 0.000 1.010 110 G HN 0.212 nan 8.290 nan 0.000 0.578 111 P HA 0.268 nan 4.420 nan 0.000 0.263 111 P C 0.485 177.812 177.300 0.046 0.000 1.175 111 P CA 1.836 65.000 63.100 0.106 0.000 0.761 111 P CB 0.144 31.890 31.700 0.077 0.000 0.794 112 E N 2.781 123.044 120.200 0.106 0.000 2.805 112 E HA -0.336 4.014 4.350 -0.000 0.000 0.266 112 E C 0.750 177.301 176.600 -0.082 0.000 1.092 112 E CA 1.344 57.774 56.400 0.050 0.000 0.781 112 E CB -2.675 27.047 29.700 0.037 0.000 1.379 112 E HN 0.735 nan 8.360 nan 0.000 0.433 113 M N -1.219 118.207 119.600 -0.290 0.000 2.537 113 M HA -0.157 4.323 4.480 -0.000 0.000 0.205 113 M C 0.008 176.141 176.300 -0.278 0.000 0.450 113 M CA 1.212 56.179 55.300 -0.554 0.000 0.553 113 M CB -1.595 30.719 32.600 -0.476 0.000 2.046 113 M HN 0.652 nan 8.290 nan 0.000 0.797 114 T N 1.920 116.369 114.554 -0.175 0.000 2.919 114 T HA 0.536 4.885 4.350 -0.000 0.000 0.302 114 T C 0.187 174.816 174.700 -0.117 0.000 1.031 114 T CA -0.098 61.955 62.100 -0.077 0.000 1.127 114 T CB 0.702 69.559 68.868 -0.019 0.000 0.952 114 T HN 0.410 nan 8.240 nan 0.000 0.540 115 L N 2.719 123.906 121.223 -0.061 0.000 2.319 115 L HA 0.666 5.006 4.340 -0.000 0.000 0.267 115 L C -0.340 176.483 176.870 -0.078 0.000 1.011 115 L CA -1.166 53.591 54.840 -0.139 0.000 0.818 115 L CB 1.543 43.446 42.059 -0.260 0.000 1.316 115 L HN 0.469 nan 8.230 nan 0.000 0.432 116 I N 1.372 121.850 120.570 -0.155 0.000 2.404 116 I HA 0.440 4.610 4.170 -0.000 0.000 0.293 116 I C -0.341 175.589 176.117 -0.312 0.000 0.992 116 I CA -0.415 60.804 61.300 -0.135 0.000 1.149 116 I CB 1.730 39.680 38.000 -0.083 0.000 1.315 116 I HN 0.573 nan 8.210 nan 0.000 0.446 117 K N 2.862 123.103 120.400 -0.265 0.000 2.495 117 K HA 0.698 5.018 4.320 -0.000 0.000 0.268 117 K C 0.107 176.640 176.600 -0.113 0.000 1.008 117 K CA -0.616 55.464 56.287 -0.345 0.000 0.882 117 K CB 2.235 34.325 32.500 -0.684 0.000 1.443 117 K HN 0.782 nan 8.250 nan 0.000 0.447 118 G N -0.225 108.521 108.800 -0.090 0.000 2.192 118 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.193 118 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.193 118 G C 0.806 175.724 174.900 0.030 0.000 0.999 118 G CA 0.113 45.225 45.100 0.021 0.000 0.659 118 G HN 0.780 nan 8.290 nan 0.000 0.503 119 G N 0.672 109.490 108.800 0.030 0.000 2.462 119 G HA2 0.190 4.150 3.960 -0.000 0.000 0.220 119 G HA3 0.190 4.150 3.960 -0.000 0.000 0.220 119 G C 1.555 176.463 174.900 0.014 0.000 1.121 119 G CA 1.641 46.832 45.100 0.152 0.000 0.758 119 G HN 1.480 nan 8.290 nan 0.000 0.559 120 G N -0.914 107.869 108.800 -0.027 0.000 3.042 120 G HA2 0.388 4.348 3.960 -0.000 0.000 0.212 120 G HA3 0.388 4.348 3.960 -0.000 0.000 0.212 120 G C 1.208 176.049 174.900 -0.099 0.000 1.166 120 G CA 0.484 45.542 45.100 -0.070 0.000 0.767 120 G HN 1.376 nan 8.290 nan 0.000 0.546 121 G N -1.039 107.727 108.800 -0.056 0.000 2.157 121 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.248 121 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.248 121 G C 0.956 175.956 174.900 0.166 0.000 0.979 121 G CA 0.516 45.651 45.100 0.059 0.000 0.650 121 G HN 1.258 nan 8.290 nan 0.000 0.529 122 A N 0.197 123.076 122.820 0.098 0.000 2.379 122 A HA 0.629 4.949 4.320 -0.000 0.000 0.236 122 A C 2.151 179.803 177.584 0.114 0.000 1.272 122 A CA 1.003 53.090 52.037 0.083 0.000 0.886 122 A CB -0.346 18.699 19.000 0.076 0.000 0.962 122 A HN 1.400 nan 8.150 nan 0.000 0.504 123 L N -2.749 118.561 121.223 0.144 0.000 2.127 123 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 123 L C 2.100 179.105 176.870 0.226 0.000 1.089 123 L CA 1.495 56.470 54.840 0.225 0.000 0.757 123 L CB -0.740 41.462 42.059 0.239 0.000 0.899 123 L HN 0.258 nan 8.230 nan 0.000 0.434 124 L N 0.127 121.453 121.223 0.171 0.000 1.976 124 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 124 L C 2.694 179.712 176.870 0.247 0.000 1.071 124 L CA 1.950 56.896 54.840 0.176 0.000 0.746 124 L CB -0.960 41.229 42.059 0.216 0.000 0.890 124 L HN 0.314 nan 8.230 nan 0.000 0.432 125 H N -0.897 118.222 119.070 0.082 0.000 2.352 125 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 125 H C 2.063 177.436 175.328 0.076 0.000 1.097 125 H CA 1.310 57.397 56.048 0.065 0.000 1.311 125 H CB 0.146 29.947 29.762 0.064 0.000 1.377 125 H HN 0.516 nan 8.280 nan 0.000 0.504 126 E N 0.778 121.130 120.200 0.253 0.000 2.118 126 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 126 E C 2.213 178.977 176.600 0.273 0.000 0.992 126 E CA 1.013 57.562 56.400 0.249 0.000 0.804 126 E CB 0.105 29.973 29.700 0.281 0.000 0.741 126 E HN 0.312 nan 8.360 nan 0.000 0.458 127 K N 0.446 120.944 120.400 0.165 0.000 2.076 127 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 127 K C 2.011 178.526 176.600 -0.141 0.000 1.051 127 K CA 0.571 56.728 56.287 -0.217 0.000 0.949 127 K CB 0.077 32.259 32.500 -0.530 0.000 0.726 127 K HN 0.024 nan 8.250 nan 0.000 0.443 128 I N 0.528 121.066 120.570 -0.053 0.000 2.163 128 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 128 I C 2.088 178.187 176.117 -0.030 0.000 1.085 128 I CA 1.056 62.326 61.300 -0.050 0.000 1.347 128 I CB -0.162 37.813 38.000 -0.041 0.000 1.044 128 I HN -0.010 nan 8.210 nan 0.000 0.408 129 V N 0.930 120.849 119.914 0.009 0.000 2.343 129 V HA -0.305 3.814 4.120 -0.000 0.000 0.247 129 V C 2.672 178.775 176.094 0.015 0.000 1.051 129 V CA 1.976 64.284 62.300 0.013 0.000 1.036 129 V CB -0.958 30.886 31.823 0.036 0.000 0.654 129 V HN 0.511 nan 8.190 nan 0.000 0.451 130 A N -0.807 122.040 122.820 0.045 0.000 1.902 130 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 130 A C 2.467 180.050 177.584 -0.002 0.000 1.181 130 A CA 2.229 54.297 52.037 0.051 0.000 0.623 130 A CB -0.651 18.440 19.000 0.151 0.000 0.818 130 A HN 0.490 nan 8.150 nan 0.000 0.443 131 S N -0.687 114.987 115.700 -0.042 0.000 2.447 131 S HA 0.100 4.570 4.470 -0.000 0.000 0.233 131 S C 1.869 176.447 174.600 -0.037 0.000 1.006 131 S CA 0.835 59.002 58.200 -0.054 0.000 0.957 131 S CB -0.198 62.952 63.200 -0.084 0.000 0.773 131 S HN 0.755 nan 8.310 nan 0.000 0.507 132 A N 0.625 123.427 122.820 -0.031 0.000 2.251 132 A HA 0.369 4.689 4.320 -0.000 0.000 0.209 132 A C 0.763 178.333 177.584 -0.023 0.000 1.187 132 A CA -0.101 51.920 52.037 -0.027 0.000 0.823 132 A CB 0.157 19.140 19.000 -0.029 0.000 0.846 132 A HN 0.298 nan 8.150 nan 0.000 0.486 133 S N -0.503 115.185 115.700 -0.020 0.000 2.509 133 S HA 0.374 4.844 4.470 -0.000 0.000 0.297 133 S C 0.928 175.515 174.600 -0.021 0.000 1.118 133 S CA -0.787 57.398 58.200 -0.025 0.000 1.074 133 S CB 1.397 64.579 63.200 -0.030 0.000 1.038 133 S HN 0.443 nan 8.310 nan 0.000 0.498 134 R N 0.923 121.408 120.500 -0.026 0.000 2.148 134 R HA 0.069 4.409 4.340 -0.000 0.000 0.227 134 R C 0.535 176.833 176.300 -0.004 0.000 1.103 134 R CA 0.780 56.872 56.100 -0.014 0.000 0.983 134 R CB -0.082 30.209 30.300 -0.015 0.000 0.874 134 R HN 0.638 nan 8.270 nan 0.000 0.451 135 A N 0.647 123.453 122.820 -0.023 0.000 2.520 135 A HA 0.548 4.868 4.320 -0.000 0.000 0.298 135 A C -1.212 176.374 177.584 0.004 0.000 1.051 135 A CA -0.649 51.400 52.037 0.021 0.000 0.690 135 A CB 1.848 20.879 19.000 0.052 0.000 1.281 135 A HN 0.106 nan 8.150 nan 0.000 0.402 136 M N 2.822 122.488 119.600 0.109 0.000 2.125 136 M HA 0.637 5.117 4.480 -0.000 0.000 0.321 136 M C -2.028 174.447 176.300 0.291 0.000 0.983 136 M CA -0.457 54.908 55.300 0.108 0.000 0.934 136 M CB 0.603 33.248 32.600 0.074 0.000 1.542 136 M HN 0.591 nan 8.290 nan 0.000 0.424 137 F N 4.144 124.004 119.950 -0.151 0.000 2.415 137 F HA 0.483 5.010 4.527 -0.000 0.000 0.348 137 F C -0.104 175.583 175.800 -0.187 0.000 1.119 137 F CA -1.046 56.839 58.000 -0.191 0.000 1.069 137 F CB 1.533 40.393 39.000 -0.235 0.000 1.124 137 F HN 0.194 nan 8.300 nan 0.000 0.472 138 V N 5.433 125.325 119.914 -0.037 0.000 2.407 138 V HA 0.383 4.502 4.120 -0.000 0.000 0.278 138 V C 0.223 176.264 176.094 -0.090 0.000 1.037 138 V CA -0.736 61.505 62.300 -0.099 0.000 0.900 138 V CB 1.304 33.036 31.823 -0.151 0.000 0.983 138 V HN 0.565 nan 8.190 nan 0.000 0.459 139 I N 2.438 122.949 120.570 -0.097 0.000 2.359 139 I HA 0.973 5.142 4.170 -0.000 0.000 0.294 139 I C -0.092 175.989 176.117 -0.059 0.000 0.987 139 I CA -0.377 60.884 61.300 -0.065 0.000 1.225 139 I CB 1.556 39.514 38.000 -0.070 0.000 1.366 139 I HN 0.644 nan 8.210 nan 0.000 0.466 140 A N 4.001 126.803 122.820 -0.031 0.000 2.604 140 A HA 0.552 4.871 4.320 -0.000 0.000 0.295 140 A C -1.388 176.195 177.584 -0.002 0.000 1.067 140 A CA -0.767 51.253 52.037 -0.029 0.000 0.683 140 A CB 1.437 20.409 19.000 -0.047 0.000 1.281 140 A HN 0.928 nan 8.150 nan 0.000 0.407 141 D N -0.020 120.380 120.400 -0.000 0.000 2.329 141 D HA 0.325 4.965 4.640 -0.000 0.000 0.246 141 D C 0.962 177.270 176.300 0.014 0.000 1.111 141 D CA 0.132 54.138 54.000 0.011 0.000 0.941 141 D CB 0.633 41.440 40.800 0.012 0.000 1.169 141 D HN 0.718 nan 8.370 nan 0.000 0.441 142 E N -0.256 119.956 120.200 0.020 0.000 2.267 142 E HA -0.272 4.078 4.350 -0.000 0.000 0.197 142 E C 1.363 177.980 176.600 0.029 0.000 0.998 142 E CA 1.417 57.833 56.400 0.026 0.000 0.830 142 E CB -0.634 29.079 29.700 0.022 0.000 0.751 142 E HN 0.623 nan 8.360 nan 0.000 0.491 143 T N -1.343 113.226 114.554 0.024 0.000 3.051 143 T HA 0.009 4.359 4.350 -0.000 0.000 0.269 143 T C 1.492 176.207 174.700 0.025 0.000 1.127 143 T CA 0.394 62.511 62.100 0.028 0.000 1.107 143 T CB 0.043 68.928 68.868 0.030 0.000 0.898 143 T HN -0.012 nan 8.240 nan 0.000 0.517 144 K N 0.660 121.065 120.400 0.009 0.000 2.365 144 K HA 0.292 4.612 4.320 -0.000 0.000 0.197 144 K C 0.814 177.415 176.600 0.002 0.000 1.042 144 K CA 0.163 56.437 56.287 -0.022 0.000 0.987 144 K CB -0.215 32.247 32.500 -0.064 0.000 0.779 144 K HN 0.509 nan 8.250 nan 0.000 0.484 145 M N 2.045 121.677 119.600 0.053 0.000 2.146 145 M HA 0.086 4.565 4.480 -0.000 0.000 0.352 145 M C -0.091 176.269 176.300 0.100 0.000 1.343 145 M CA -0.407 54.966 55.300 0.121 0.000 1.115 145 M CB 0.923 33.627 32.600 0.174 0.000 1.657 145 M HN -0.234 nan 8.290 nan 0.000 0.471 146 V N 0.285 120.262 119.914 0.105 0.000 2.823 146 V HA 0.692 4.811 4.120 -0.000 0.000 0.312 146 V C 0.494 176.650 176.094 0.102 0.000 1.072 146 V CA -0.690 61.660 62.300 0.084 0.000 0.937 146 V CB 1.172 33.032 31.823 0.061 0.000 1.013 146 V HN 0.886 nan 8.190 nan 0.000 0.430 147 K N 1.643 122.091 120.400 0.080 0.000 2.057 147 K HA 0.199 4.519 4.320 -0.000 0.000 0.206 147 K C 1.017 177.661 176.600 0.072 0.000 1.050 147 K CA 1.829 58.162 56.287 0.076 0.000 0.935 147 K CB -0.677 31.855 32.500 0.054 0.000 0.715 147 K HN 1.398 nan 8.250 nan 0.000 0.439 148 T N -2.036 112.556 114.554 0.063 0.000 2.916 148 T HA 0.639 4.989 4.350 -0.000 0.000 0.298 148 T C -0.195 174.540 174.700 0.059 0.000 1.031 148 T CA -0.839 61.295 62.100 0.057 0.000 0.993 148 T CB 1.230 70.128 68.868 0.051 0.000 1.045 148 T HN 0.168 nan 8.240 nan 0.000 0.454 149 L N 2.298 123.553 121.223 0.054 0.000 2.467 149 L HA 0.502 4.842 4.340 -0.000 0.000 0.270 149 L C 1.625 178.547 176.870 0.087 0.000 1.205 149 L CA 0.964 55.840 54.840 0.060 0.000 0.828 149 L CB 0.325 42.416 42.059 0.052 0.000 1.101 149 L HN 1.225 nan 8.230 nan 0.000 0.479 150 G N 0.597 109.462 108.800 0.109 0.000 2.480 150 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.193 150 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.193 150 G C 0.931 175.911 174.900 0.134 0.000 1.004 150 G CA 0.359 45.543 45.100 0.140 0.000 0.696 150 G HN 0.780 nan 8.290 nan 0.000 0.478 151 A N -0.146 122.748 122.820 0.124 0.000 1.986 151 A HA 0.327 4.646 4.320 -0.000 0.000 0.220 151 A C 0.988 178.635 177.584 0.105 0.000 1.171 151 A CA 1.395 53.500 52.037 0.113 0.000 0.640 151 A CB -0.319 18.744 19.000 0.105 0.000 0.811 151 A HN 1.038 nan 8.150 nan 0.000 0.451 152 F N 0.688 120.624 119.950 -0.024 0.000 2.424 152 F HA 0.509 5.036 4.527 -0.000 0.000 0.356 152 F C 0.780 176.475 175.800 -0.175 0.000 1.110 152 F CA -0.844 57.104 58.000 -0.086 0.000 1.161 152 F CB 0.637 39.591 39.000 -0.076 0.000 1.115 152 F HN 0.264 nan 8.300 nan 0.000 0.507 153 A N 6.516 129.051 122.820 -0.475 0.000 2.567 153 A HA 0.158 4.478 4.320 -0.000 0.000 0.240 153 A C -0.567 176.869 177.584 -0.248 0.000 1.053 153 A CA -0.351 51.288 52.037 -0.663 0.000 0.755 153 A CB -0.171 17.816 19.000 -1.689 0.000 0.978 153 A HN 0.791 nan 8.150 nan 0.000 0.507 154 L N 5.728 126.822 121.223 -0.214 0.000 2.360 154 L HA 0.445 4.785 4.340 -0.000 0.000 0.276 154 L C -2.246 174.576 176.870 -0.082 0.000 1.121 154 L CA -1.396 53.416 54.840 -0.047 0.000 0.845 154 L CB 0.710 42.790 42.059 0.035 0.000 1.143 154 L HN 0.370 nan 8.230 nan 0.000 0.452 155 P HA 0.440 nan 4.420 nan 0.000 0.286 155 P C -1.191 176.194 177.300 0.142 0.000 1.261 155 P CA -0.099 63.040 63.100 0.065 0.000 0.821 155 P CB 0.994 32.750 31.700 0.093 0.000 1.013 156 I N 1.061 121.727 120.570 0.160 0.000 2.497 156 I HA 0.262 4.432 4.170 -0.000 0.000 0.284 156 I C 0.139 176.369 176.117 0.188 0.000 1.060 156 I CA -0.708 60.721 61.300 0.216 0.000 1.071 156 I CB 1.908 40.058 38.000 0.251 0.000 1.216 156 I HN 0.249 nan 8.210 nan 0.000 0.442 157 E N 6.258 126.546 120.200 0.147 0.000 2.290 157 E HA 0.467 4.817 4.350 -0.000 0.000 0.277 157 E C -0.888 175.733 176.600 0.035 0.000 1.035 157 E CA -0.475 55.983 56.400 0.096 0.000 0.873 157 E CB 1.063 30.809 29.700 0.078 0.000 1.029 157 E HN 0.457 nan 8.360 nan 0.000 0.419 158 V N 1.763 121.687 119.914 0.017 0.000 2.962 158 V HA 0.510 4.630 4.120 -0.000 0.000 0.313 158 V C -0.383 175.677 176.094 -0.057 0.000 1.099 158 V CA -1.269 61.029 62.300 -0.002 0.000 0.971 158 V CB 1.983 33.846 31.823 0.066 0.000 1.028 158 V HN 0.610 nan 8.190 nan 0.000 0.430 159 N N 3.127 121.800 118.700 -0.045 0.000 2.513 159 N HA 0.276 5.016 4.740 -0.000 0.000 0.268 159 N C -1.922 173.554 175.510 -0.055 0.000 1.180 159 N CA -0.912 52.126 53.050 -0.020 0.000 0.948 159 N CB 1.850 40.369 38.487 0.054 0.000 1.083 159 N HN 0.524 nan 8.380 nan 0.000 0.455 160 P HA -0.113 nan 4.420 nan 0.000 0.215 160 P C 0.396 177.713 177.300 0.029 0.000 1.157 160 P CA 0.827 63.759 63.100 -0.280 0.000 0.868 160 P CB 0.074 31.425 31.700 -0.582 0.000 0.788 161 F N 0.604 120.527 119.950 -0.045 0.000 2.590 161 F HA 0.292 4.818 4.527 -0.000 0.000 0.389 161 F C 1.410 177.240 175.800 0.050 0.000 1.049 161 F CA 1.061 59.068 58.000 0.013 0.000 1.199 161 F CB -0.499 38.503 39.000 0.003 0.000 1.058 161 F HN 0.248 nan 8.300 nan 0.000 0.556 162 G N 6.006 114.441 108.800 -0.609 0.000 2.160 162 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.251 162 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.251 162 G C 1.051 175.927 174.900 -0.041 0.000 1.008 162 G CA 0.376 45.225 45.100 -0.418 0.000 0.724 162 G HN 0.877 nan 8.290 nan 0.000 0.514 163 I N -0.774 119.827 120.570 0.052 0.000 2.264 163 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 163 I C 2.214 178.509 176.117 0.298 0.000 1.111 163 I CA 2.270 63.689 61.300 0.198 0.000 1.382 163 I CB -0.140 37.989 38.000 0.214 0.000 1.060 163 I HN 0.579 nan 8.210 nan 0.000 0.418 164 H N 0.292 119.425 119.070 0.104 0.000 2.352 164 H HA -0.196 4.360 4.556 -0.000 0.000 0.299 164 H C 2.198 177.566 175.328 0.066 0.000 1.097 164 H CA 1.286 57.388 56.048 0.091 0.000 1.311 164 H CB 0.132 29.916 29.762 0.037 0.000 1.377 164 H HN 0.494 nan 8.280 nan 0.000 0.504 165 A N -0.433 122.456 122.820 0.114 0.000 1.968 165 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 165 A C 2.407 180.046 177.584 0.090 0.000 1.169 165 A CA 1.602 53.656 52.037 0.028 0.000 0.638 165 A CB -0.635 18.354 19.000 -0.019 0.000 0.812 165 A HN 0.473 nan 8.150 nan 0.000 0.446 166 T N -0.704 113.941 114.554 0.151 0.000 2.777 166 T HA -0.121 4.228 4.350 -0.000 0.000 0.266 166 T C 2.071 176.884 174.700 0.188 0.000 1.040 166 T CA 1.311 63.524 62.100 0.188 0.000 1.141 166 T CB -0.226 68.787 68.868 0.241 0.000 0.868 166 T HN 0.544 nan 8.240 nan 0.000 0.444 167 R N 0.716 121.343 120.500 0.211 0.000 2.083 167 R HA -0.066 4.274 4.340 -0.000 0.000 0.237 167 R C 2.381 178.682 176.300 0.001 0.000 1.137 167 R CA 1.504 57.588 56.100 -0.027 0.000 0.951 167 R CB -0.529 29.732 30.300 -0.066 0.000 0.851 167 R HN 0.382 nan 8.270 nan 0.000 0.434 168 I N 0.863 121.475 120.570 0.069 0.000 2.208 168 I HA -0.278 3.891 4.170 -0.000 0.000 0.245 168 I C 2.582 178.719 176.117 0.035 0.000 1.097 168 I CA 1.451 62.776 61.300 0.042 0.000 1.363 168 I CB -0.358 37.653 38.000 0.019 0.000 1.051 168 I HN 0.307 nan 8.210 nan 0.000 0.413 169 A N 0.697 123.546 122.820 0.048 0.000 1.969 169 A HA -0.123 4.196 4.320 -0.000 0.000 0.218 169 A C 2.269 179.888 177.584 0.059 0.000 1.169 169 A CA 1.371 53.438 52.037 0.050 0.000 0.635 169 A CB -0.702 18.334 19.000 0.062 0.000 0.810 169 A HN 0.411 nan 8.150 nan 0.000 0.445 170 I N -0.638 119.977 120.570 0.074 0.000 2.353 170 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 170 I C 2.403 178.597 176.117 0.127 0.000 1.119 170 I CA 1.239 62.609 61.300 0.117 0.000 1.417 170 I CB -0.426 37.645 38.000 0.118 0.000 1.078 170 I HN 0.382 nan 8.210 nan 0.000 0.421 171 E N 1.305 121.549 120.200 0.073 0.000 2.038 171 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 171 E C 2.574 179.202 176.600 0.047 0.000 1.000 171 E CA 2.044 58.491 56.400 0.077 0.000 0.803 171 E CB -0.248 29.477 29.700 0.041 0.000 0.750 171 E HN 0.511 nan 8.360 nan 0.000 0.448 172 K N 0.943 121.359 120.400 0.027 0.000 2.057 172 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 172 K C 2.164 178.755 176.600 -0.015 0.000 1.050 172 K CA 1.376 57.667 56.287 0.006 0.000 0.935 172 K CB -1.114 31.390 32.500 0.006 0.000 0.715 172 K HN 0.223 nan 8.250 nan 0.000 0.439 173 A N 1.178 123.992 122.820 -0.010 0.000 1.908 173 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 173 A C 2.807 180.315 177.584 -0.127 0.000 1.181 173 A CA 2.352 54.359 52.037 -0.049 0.000 0.627 173 A CB -0.972 18.013 19.000 -0.026 0.000 0.818 173 A HN 0.955 nan 8.150 nan 0.000 0.445 174 A N 0.174 122.912 122.820 -0.137 0.000 1.883 174 A HA -0.237 4.082 4.320 -0.000 0.000 0.217 174 A C 1.774 179.238 177.584 -0.200 0.000 1.186 174 A CA 2.065 53.923 52.037 -0.298 0.000 0.624 174 A CB -0.731 18.185 19.000 -0.140 0.000 0.822 174 A HN 0.487 nan 8.150 nan 0.000 0.444 175 D N 0.217 120.563 120.400 -0.089 0.000 2.104 175 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 175 D C 1.651 177.905 176.300 -0.077 0.000 0.994 175 D CA 1.520 55.483 54.000 -0.063 0.000 0.830 175 D CB -0.524 40.259 40.800 -0.027 0.000 0.959 175 D HN 0.399 nan 8.370 nan 0.000 0.452 176 N N 0.141 118.794 118.700 -0.077 0.000 2.166 176 N HA -0.080 4.659 4.740 -0.000 0.000 0.186 176 N C 1.748 177.204 175.510 -0.090 0.000 1.019 176 N CA 0.441 53.449 53.050 -0.070 0.000 0.856 176 N CB -0.271 38.181 38.487 -0.058 0.000 0.993 176 N HN 0.247 nan 8.380 nan 0.000 0.426 177 L N -0.842 120.300 121.223 -0.136 0.000 2.591 177 L HA 0.221 4.561 4.340 -0.000 0.000 0.228 177 L C 0.791 177.567 176.870 -0.157 0.000 1.133 177 L CA 0.090 54.837 54.840 -0.156 0.000 0.880 177 L CB -0.129 41.799 42.059 -0.218 0.000 1.033 177 L HN 0.202 nan 8.230 nan 0.000 0.450 178 G N 1.020 109.733 108.800 -0.145 0.000 2.248 178 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.263 178 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.263 178 G C -0.229 174.582 174.900 -0.148 0.000 1.082 178 G CA -0.269 44.763 45.100 -0.114 0.000 0.863 178 G HN 0.191 nan 8.290 nan 0.000 0.495 179 L N 0.369 121.446 121.223 -0.243 0.000 2.317 179 L HA 0.758 5.098 4.340 -0.000 0.000 0.281 179 L C 0.319 177.121 176.870 -0.113 0.000 1.024 179 L CA -0.748 53.895 54.840 -0.329 0.000 0.810 179 L CB 2.144 43.629 42.059 -0.958 0.000 1.240 179 L HN 0.171 nan 8.230 nan 0.000 0.427 180 S N 0.802 116.558 115.700 0.094 0.000 2.542 180 S HA 0.949 5.419 4.470 -0.000 0.000 0.293 180 S C -0.238 174.574 174.600 0.353 0.000 1.089 180 S CA -0.547 57.772 58.200 0.198 0.000 0.961 180 S CB 2.191 65.452 63.200 0.101 0.000 1.062 180 S HN 0.976 nan 8.310 nan 0.000 0.483 181 G N 1.753 110.718 108.800 0.275 0.000 2.321 181 G HA2 0.232 4.192 3.960 -0.000 0.000 0.339 181 G HA3 0.232 4.192 3.960 -0.000 0.000 0.339 181 G C -1.423 173.545 174.900 0.114 0.000 1.518 181 G CA -1.066 44.149 45.100 0.193 0.000 0.994 181 G HN 0.794 nan 8.290 nan 0.000 0.668 182 E N -0.266 119.946 120.200 0.021 0.000 2.442 182 E HA 0.360 4.710 4.350 -0.000 0.000 0.262 182 E C -0.260 176.343 176.600 0.005 0.000 1.004 182 E CA -0.030 56.353 56.400 -0.028 0.000 0.928 182 E CB 1.072 30.682 29.700 -0.151 0.000 0.937 182 E HN 0.418 nan 8.360 nan 0.000 0.446 183 I N 2.750 123.294 120.570 -0.044 0.000 2.362 183 I HA 0.197 4.366 4.170 -0.000 0.000 0.289 183 I C -0.542 175.551 176.117 -0.040 0.000 0.994 183 I CA -0.324 60.910 61.300 -0.110 0.000 1.158 183 I CB 2.000 39.849 38.000 -0.252 0.000 1.315 183 I HN 0.513 nan 8.210 nan 0.000 0.451 184 T N 6.730 121.351 114.554 0.111 0.000 2.824 184 T HA 0.408 4.758 4.350 -0.000 0.000 0.282 184 T C -0.555 174.357 174.700 0.353 0.000 0.993 184 T CA -0.494 61.718 62.100 0.186 0.000 0.967 184 T CB 1.597 70.575 68.868 0.183 0.000 0.960 184 T HN 0.219 nan 8.240 nan 0.000 0.441 185 L N 3.695 125.125 121.223 0.344 0.000 2.418 185 L HA 0.361 4.701 4.340 -0.000 0.000 0.274 185 L C 0.689 177.603 176.870 0.072 0.000 1.135 185 L CA -0.117 54.853 54.840 0.216 0.000 0.870 185 L CB 0.175 42.293 42.059 0.099 0.000 1.154 185 L HN 0.543 nan 8.230 nan 0.000 0.462 186 R N 5.508 126.033 120.500 0.041 0.000 2.401 186 R HA 0.290 4.630 4.340 -0.000 0.000 0.299 186 R C -0.822 175.486 176.300 0.013 0.000 1.064 186 R CA -0.328 55.788 56.100 0.027 0.000 1.000 186 R CB 0.405 30.716 30.300 0.018 0.000 0.973 186 R HN 0.612 nan 8.270 nan 0.000 0.438 187 M N 2.849 122.451 119.600 0.004 0.000 2.472 187 M HA 0.224 4.703 4.480 -0.000 0.000 0.331 187 M C -0.349 175.976 176.300 0.042 0.000 1.170 187 M CA -0.917 54.382 55.300 -0.003 0.000 1.009 187 M CB 1.513 34.098 32.600 -0.025 0.000 1.672 187 M HN 0.462 nan 8.290 nan 0.000 0.453 188 N N 1.123 119.861 118.700 0.063 0.000 2.706 188 N HA 0.434 5.173 4.740 -0.000 0.000 0.240 188 N C 0.560 176.087 175.510 0.028 0.000 1.039 188 N CA 0.969 54.069 53.050 0.083 0.000 0.888 188 N CB 0.532 39.119 38.487 0.167 0.000 1.128 188 N HN 0.913 nan 8.380 nan 0.000 0.512 189 G N 3.659 112.466 108.800 0.011 0.000 2.634 189 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.318 189 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.318 189 G C 0.486 175.378 174.900 -0.014 0.000 1.207 189 G CA 0.664 45.763 45.100 -0.003 0.000 0.987 189 G HN 0.551 nan 8.290 nan 0.000 0.547 190 D N 2.155 122.545 120.400 -0.017 0.000 2.349 190 D HA 0.199 4.839 4.640 -0.000 0.000 0.215 190 D C 0.433 176.706 176.300 -0.045 0.000 1.016 190 D CA 0.611 54.595 54.000 -0.028 0.000 0.870 190 D CB 0.058 40.845 40.800 -0.021 0.000 0.917 190 D HN 0.411 nan 8.370 nan 0.000 0.524 191 D N 0.256 120.627 120.400 -0.048 0.000 2.272 191 D HA 0.292 4.932 4.640 -0.000 0.000 0.247 191 D C -2.452 173.764 176.300 -0.141 0.000 0.990 191 D CA -1.706 52.240 54.000 -0.089 0.000 0.931 191 D CB 1.668 42.430 40.800 -0.063 0.000 1.195 191 D HN -0.163 nan 8.370 nan 0.000 0.477 192 P HA 0.047 nan 4.420 nan 0.000 0.268 192 P C -0.248 176.911 177.300 -0.236 0.000 1.205 192 P CA -0.231 62.603 63.100 -0.443 0.000 0.771 192 P CB 0.243 31.227 31.700 -1.194 0.000 0.858 193 F N 3.685 123.517 119.950 -0.197 0.000 2.538 193 F HA 0.171 4.698 4.527 -0.000 0.000 0.371 193 F C 0.640 176.477 175.800 0.062 0.000 1.087 193 F CA 0.186 58.151 58.000 -0.058 0.000 1.250 193 F CB 0.377 39.358 39.000 -0.031 0.000 1.110 193 F HN 0.113 nan 8.300 nan 0.000 0.570 194 K N 5.026 124.987 120.400 -0.733 0.000 2.323 194 K HA 0.330 4.650 4.320 -0.000 0.000 0.259 194 K C -0.366 175.762 176.600 -0.787 0.000 0.947 194 K CA -0.679 55.369 56.287 -0.398 0.000 0.819 194 K CB 1.078 33.505 32.500 -0.120 0.000 1.109 194 K HN 0.796 nan 8.250 nan 0.000 0.429 195 T N 0.529 114.847 114.554 -0.393 0.000 2.766 195 T HA 0.069 4.419 4.350 -0.000 0.000 0.295 195 T C 0.819 175.379 174.700 -0.233 0.000 1.024 195 T CA -0.457 61.498 62.100 -0.242 0.000 1.018 195 T CB 0.666 69.537 68.868 0.005 0.000 1.002 195 T HN 0.520 nan 8.240 nan 0.000 0.532 196 D N 1.606 121.882 120.400 -0.206 0.000 2.149 196 D HA -0.072 4.568 4.640 -0.000 0.000 0.194 196 D C 2.150 178.369 176.300 -0.135 0.000 1.001 196 D CA 1.838 55.722 54.000 -0.193 0.000 0.849 196 D CB -0.839 39.743 40.800 -0.364 0.000 0.939 196 D HN 0.856 nan 8.370 nan 0.000 0.449 197 G N -0.976 107.736 108.800 -0.146 0.000 2.848 197 G HA2 0.228 4.188 3.960 -0.000 0.000 0.208 197 G HA3 0.228 4.188 3.960 -0.000 0.000 0.208 197 G C 1.101 175.648 174.900 -0.588 0.000 1.152 197 G CA 0.529 45.522 45.100 -0.177 0.000 0.789 197 G HN 0.488 nan 8.290 nan 0.000 0.531 198 G N -0.599 107.928 108.800 -0.455 0.000 2.160 198 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 198 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 198 G C 0.011 174.584 174.900 -0.545 0.000 1.022 198 G CA 0.353 45.184 45.100 -0.447 0.000 0.741 198 G HN 0.785 nan 8.290 nan 0.000 0.508 199 H N -1.728 117.250 119.070 -0.153 0.000 2.693 199 H HA 0.799 5.355 4.556 -0.000 0.000 0.348 199 H C -0.118 175.170 175.328 -0.065 0.000 1.222 199 H CA -1.074 54.854 56.048 -0.200 0.000 1.270 199 H CB 1.014 30.726 29.762 -0.083 0.000 1.798 199 H HN 0.053 nan 8.280 nan 0.000 0.592 200 F N 0.044 120.031 119.950 0.062 0.000 2.518 200 F HA 0.521 5.048 4.527 -0.000 0.000 0.338 200 F C -0.079 175.694 175.800 -0.045 0.000 1.065 200 F CA -1.137 56.838 58.000 -0.041 0.000 1.012 200 F CB 0.666 39.575 39.000 -0.151 0.000 1.297 200 F HN 0.216 nan 8.300 nan 0.000 0.489 201 I N 1.091 121.746 120.570 0.143 0.000 2.533 201 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 201 I C -1.377 174.701 176.117 -0.064 0.000 1.056 201 I CA -0.546 60.800 61.300 0.076 0.000 1.057 201 I CB 1.960 40.069 38.000 0.182 0.000 1.240 201 I HN 0.186 nan 8.210 nan 0.000 0.423 202 F N 3.799 123.810 119.950 0.101 0.000 2.408 202 F HA 0.349 4.876 4.527 -0.000 0.000 0.344 202 F C 0.367 176.140 175.800 -0.045 0.000 1.112 202 F CA -0.764 57.255 58.000 0.032 0.000 1.096 202 F CB 0.910 39.925 39.000 0.026 0.000 1.129 202 F HN 0.305 nan 8.300 nan 0.000 0.486 203 D N 2.778 123.263 120.400 0.143 0.000 2.280 203 D HA 0.437 5.077 4.640 -0.000 0.000 0.236 203 D C -0.614 175.527 176.300 -0.265 0.000 1.082 203 D CA -0.181 53.742 54.000 -0.129 0.000 0.834 203 D CB 1.984 42.655 40.800 -0.216 0.000 1.100 203 D HN 0.527 nan 8.370 nan 0.000 0.486 204 A N 3.166 125.659 122.820 -0.545 0.000 2.280 204 A HA 0.383 4.703 4.320 -0.000 0.000 0.320 204 A C -0.450 176.620 177.584 -0.857 0.000 1.366 204 A CA -0.642 50.844 52.037 -0.918 0.000 0.938 204 A CB -0.242 17.641 19.000 -1.861 0.000 1.157 204 A HN 0.481 nan 8.150 nan 0.000 0.536 205 F N 2.878 122.513 119.950 -0.525 0.000 2.626 205 F HA 0.127 4.654 4.527 -0.000 0.000 0.353 205 F C 0.418 176.149 175.800 -0.115 0.000 1.230 205 F CA -0.088 57.758 58.000 -0.257 0.000 1.298 205 F CB 0.298 39.198 39.000 -0.166 0.000 1.670 205 F HN 0.755 nan 8.300 nan 0.000 0.633 206 W N 0.630 121.982 121.300 0.087 0.000 3.139 206 W HA 0.199 4.859 4.660 -0.000 0.000 0.260 206 W C 1.652 178.205 176.519 0.055 0.000 1.312 206 W CA 0.654 58.035 57.345 0.061 0.000 1.606 206 W CB -0.614 28.862 29.460 0.027 0.000 1.118 206 W HN 0.633 nan 8.180 nan 0.000 0.675 207 G N 1.134 110.083 108.800 0.249 0.000 2.855 207 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.231 207 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.231 207 G C 0.663 175.648 174.900 0.142 0.000 1.242 207 G CA 0.927 46.128 45.100 0.169 0.000 0.789 207 G HN 0.286 nan 8.290 nan 0.000 0.517 208 R N 0.052 120.642 120.500 0.149 0.000 2.510 208 R HA 0.546 4.885 4.340 -0.000 0.000 0.287 208 R C -1.400 174.955 176.300 0.091 0.000 1.084 208 R CA -0.925 55.237 56.100 0.103 0.000 0.934 208 R CB 0.775 31.116 30.300 0.069 0.000 1.201 208 R HN 0.134 nan 8.270 nan 0.000 0.431 209 I N 7.338 127.958 120.570 0.083 0.000 2.371 209 I HA 0.157 4.327 4.170 -0.000 0.000 0.282 209 I C 1.024 177.155 176.117 0.024 0.000 1.031 209 I CA -0.426 60.903 61.300 0.048 0.000 1.180 209 I CB 1.172 39.219 38.000 0.079 0.000 1.336 209 I HN 0.752 nan 8.210 nan 0.000 0.467 210 L N 3.714 124.937 121.223 0.000 0.000 2.209 210 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 210 L C 0.858 177.725 176.870 -0.004 0.000 1.094 210 L CA 0.906 55.747 54.840 0.002 0.000 0.790 210 L CB 0.101 42.157 42.059 -0.005 0.000 0.932 210 L HN 0.548 nan 8.230 nan 0.000 0.447 211 Q N 0.091 119.878 119.800 -0.022 0.000 2.849 211 Q HA 0.206 4.546 4.340 -0.000 0.000 0.289 211 Q C -1.783 174.201 176.000 -0.028 0.000 1.012 211 Q CA -1.505 54.283 55.803 -0.025 0.000 0.899 211 Q CB 1.065 29.779 28.738 -0.039 0.000 1.235 211 Q HN 0.182 nan 8.270 nan 0.000 0.457 212 P HA -0.177 nan 4.420 nan 0.000 0.218 212 P C 1.290 178.589 177.300 -0.002 0.000 1.149 212 P CA 1.437 64.537 63.100 -0.000 0.000 0.817 212 P CB 0.298 32.015 31.700 0.028 0.000 0.785 213 K N 0.552 120.956 120.400 0.007 0.000 2.097 213 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 213 K C 2.314 178.912 176.600 -0.003 0.000 1.049 213 K CA 1.569 57.864 56.287 0.013 0.000 0.933 213 K CB -1.737 30.772 32.500 0.014 0.000 0.717 213 K HN 0.167 nan 8.250 nan 0.000 0.442 214 L N -0.568 120.642 121.223 -0.022 0.000 2.095 214 L HA 0.017 4.356 4.340 -0.000 0.000 0.204 214 L C 2.648 179.483 176.870 -0.059 0.000 1.080 214 L CA 0.639 55.458 54.840 -0.035 0.000 0.759 214 L CB -0.251 41.783 42.059 -0.043 0.000 0.914 214 L HN 0.355 nan 8.230 nan 0.000 0.439 215 L N -0.786 120.385 121.223 -0.087 0.000 2.083 215 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 215 L C 2.662 179.446 176.870 -0.142 0.000 1.083 215 L CA 1.877 56.637 54.840 -0.134 0.000 0.752 215 L CB -0.529 41.434 42.059 -0.160 0.000 0.899 215 L HN 0.199 nan 8.230 nan 0.000 0.433 216 S N -1.075 114.550 115.700 -0.125 0.000 2.368 216 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 216 S C 1.906 176.540 174.600 0.058 0.000 1.029 216 S CA 1.047 59.178 58.200 -0.115 0.000 0.988 216 S CB -0.318 62.944 63.200 0.103 0.000 0.838 216 S HN 0.549 nan 8.310 nan 0.000 0.462 217 E N 1.462 121.682 120.200 0.035 0.000 2.077 217 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 217 E C 2.385 179.001 176.600 0.027 0.000 0.989 217 E CA 1.247 57.670 56.400 0.038 0.000 0.800 217 E CB -0.815 28.896 29.700 0.017 0.000 0.746 217 E HN 0.616 nan 8.360 nan 0.000 0.452 218 A N 0.887 123.706 122.820 -0.003 0.000 1.969 218 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 218 A C 2.370 179.968 177.584 0.023 0.000 1.169 218 A CA 0.931 52.965 52.037 -0.005 0.000 0.635 218 A CB -0.523 18.453 19.000 -0.039 0.000 0.810 218 A HN 0.158 nan 8.150 nan 0.000 0.445 219 L N -0.910 120.331 121.223 0.030 0.000 2.068 219 L HA -0.068 4.272 4.340 -0.000 0.000 0.204 219 L C 2.453 179.403 176.870 0.133 0.000 1.076 219 L CA 0.745 55.638 54.840 0.088 0.000 0.753 219 L CB -0.474 41.631 42.059 0.077 0.000 0.910 219 L HN 0.335 nan 8.230 nan 0.000 0.439 220 L N -0.136 121.180 121.223 0.156 0.000 2.127 220 L HA -0.196 4.143 4.340 -0.000 0.000 0.211 220 L C 2.726 179.642 176.870 0.076 0.000 1.089 220 L CA 1.053 55.971 54.840 0.129 0.000 0.757 220 L CB -0.652 41.478 42.059 0.118 0.000 0.899 220 L HN 0.251 nan 8.230 nan 0.000 0.434 221 A N -0.170 122.687 122.820 0.062 0.000 2.119 221 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 221 A C 1.218 178.831 177.584 0.048 0.000 1.153 221 A CA 0.299 52.362 52.037 0.044 0.000 0.692 221 A CB -0.553 18.466 19.000 0.031 0.000 0.799 221 A HN 0.292 nan 8.150 nan 0.000 0.458 222 I N 0.810 121.418 120.570 0.063 0.000 2.505 222 I HA 0.052 4.222 4.170 -0.000 0.000 0.287 222 I C -1.429 174.730 176.117 0.071 0.000 1.104 222 I CA -1.473 59.869 61.300 0.070 0.000 1.387 222 I CB 1.071 39.125 38.000 0.090 0.000 1.404 222 I HN 0.068 nan 8.210 nan 0.000 0.528 223 P HA -0.182 nan 4.420 nan 0.000 0.216 223 P C 1.448 178.791 177.300 0.072 0.000 1.154 223 P CA 1.195 64.334 63.100 0.064 0.000 0.865 223 P CB 0.193 31.936 31.700 0.071 0.000 0.789 224 G N -1.413 107.443 108.800 0.094 0.000 2.712 224 G HA2 0.002 3.962 3.960 -0.000 0.000 0.212 224 G HA3 0.002 3.962 3.960 -0.000 0.000 0.212 224 G C 0.291 175.236 174.900 0.075 0.000 1.142 224 G CA 0.008 45.168 45.100 0.101 0.000 0.789 224 G HN 0.182 nan 8.290 nan 0.000 0.535 225 V N 1.706 121.669 119.914 0.082 0.000 2.389 225 V HA 0.080 4.200 4.120 -0.000 0.000 0.264 225 V C 1.494 177.597 176.094 0.015 0.000 1.049 225 V CA -0.262 62.087 62.300 0.082 0.000 0.932 225 V CB 1.309 33.214 31.823 0.137 0.000 1.011 225 V HN 0.069 nan 8.190 nan 0.000 0.475 226 V N 3.748 123.622 119.914 -0.067 0.000 2.283 226 V HA 0.058 4.178 4.120 -0.000 0.000 0.243 226 V C 0.897 176.945 176.094 -0.077 0.000 1.039 226 V CA 1.492 63.704 62.300 -0.148 0.000 1.016 226 V CB -0.120 31.460 31.823 -0.405 0.000 0.650 226 V HN 0.868 nan 8.190 nan 0.000 0.449 227 E N -2.010 118.167 120.200 -0.038 0.000 2.439 227 E HA 0.410 4.760 4.350 -0.000 0.000 0.279 227 E C -1.509 175.111 176.600 0.033 0.000 1.077 227 E CA -0.560 55.795 56.400 -0.074 0.000 0.849 227 E CB 2.100 31.736 29.700 -0.107 0.000 1.408 227 E HN 0.661 nan 8.360 nan 0.000 0.457 228 H N -2.905 116.202 119.070 0.063 0.000 2.949 228 H HA 0.651 5.206 4.556 -0.000 0.000 0.356 228 H C 0.680 176.100 175.328 0.153 0.000 1.212 228 H CA -0.492 55.622 56.048 0.110 0.000 1.136 228 H CB 1.034 30.871 29.762 0.125 0.000 1.869 228 H HN 0.500 nan 8.280 nan 0.000 0.556 229 G N 0.204 109.233 108.800 0.381 0.000 3.124 229 G HA2 0.144 4.103 3.960 -0.000 0.000 0.212 229 G HA3 0.144 4.103 3.960 -0.000 0.000 0.212 229 G C -0.224 174.957 174.900 0.469 0.000 1.181 229 G CA -0.243 45.087 45.100 0.385 0.000 0.803 229 G HN 0.441 nan 8.290 nan 0.000 0.529 230 L N 1.065 122.654 121.223 0.609 0.000 2.261 230 L HA 0.385 4.725 4.340 -0.000 0.000 0.289 230 L C -0.541 176.599 176.870 0.450 0.000 1.059 230 L CA -0.574 54.539 54.840 0.455 0.000 0.816 230 L CB 0.729 42.989 42.059 0.336 0.000 1.191 230 L HN 0.023 nan 8.230 nan 0.000 0.431 231 F N 4.874 124.847 119.950 0.039 0.000 2.371 231 F HA 0.391 4.917 4.527 -0.000 0.000 0.363 231 F C -0.089 175.705 175.800 -0.010 0.000 1.122 231 F CA -0.768 57.228 58.000 -0.005 0.000 1.129 231 F CB 0.911 39.887 39.000 -0.040 0.000 1.173 231 F HN 0.273 nan 8.300 nan 0.000 0.489 232 L N 2.829 124.121 121.223 0.115 0.000 2.313 232 L HA 0.535 4.875 4.340 -0.000 0.000 0.283 232 L C 0.757 177.646 176.870 0.032 0.000 1.013 232 L CA -0.454 54.426 54.840 0.066 0.000 0.816 232 L CB 1.687 43.782 42.059 0.061 0.000 1.236 232 L HN 0.818 nan 8.230 nan 0.000 0.419 233 G N 2.678 111.490 108.800 0.021 0.000 2.283 233 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.280 233 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.280 233 G C 0.618 175.524 174.900 0.010 0.000 1.029 233 G CA 0.853 45.958 45.100 0.008 0.000 0.840 233 G HN 0.595 nan 8.290 nan 0.000 0.505 234 L N -0.731 120.511 121.223 0.033 0.000 2.362 234 L HA 0.433 4.772 4.340 -0.000 0.000 0.204 234 L C 2.085 178.984 176.870 0.049 0.000 1.060 234 L CA 0.641 55.510 54.840 0.048 0.000 0.827 234 L CB -0.215 41.901 42.059 0.095 0.000 1.027 234 L HN 0.405 nan 8.230 nan 0.000 0.474 235 A N 0.102 122.941 122.820 0.032 0.000 2.454 235 A HA 0.258 4.578 4.320 -0.000 0.000 0.260 235 A C 1.091 178.645 177.584 -0.051 0.000 1.106 235 A CA 0.224 52.251 52.037 -0.017 0.000 0.780 235 A CB 0.316 19.262 19.000 -0.089 0.000 1.044 235 A HN 0.375 nan 8.150 nan 0.000 0.498 236 S N 2.568 118.250 115.700 -0.030 0.000 2.475 236 S HA 0.209 4.679 4.470 -0.000 0.000 0.224 236 S C 0.720 175.180 174.600 -0.233 0.000 1.042 236 S CA -0.013 58.140 58.200 -0.078 0.000 0.935 236 S CB 0.202 63.409 63.200 0.013 0.000 0.801 236 S HN 0.694 nan 8.310 nan 0.000 0.509 237 R N 0.899 121.190 120.500 -0.348 0.000 2.673 237 R HA 0.732 5.072 4.340 -0.000 0.000 0.281 237 R C -1.509 174.562 176.300 -0.382 0.000 0.991 237 R CA -0.400 55.369 56.100 -0.551 0.000 0.896 237 R CB 1.806 31.370 30.300 -1.226 0.000 1.201 237 R HN 0.245 nan 8.270 nan 0.000 0.457 238 A N 3.600 126.272 122.820 -0.245 0.000 2.287 238 A HA 0.613 4.932 4.320 -0.000 0.000 0.317 238 A C -0.188 177.329 177.584 -0.112 0.000 1.220 238 A CA -0.658 51.296 52.037 -0.138 0.000 0.835 238 A CB 0.349 19.334 19.000 -0.024 0.000 1.180 238 A HN 0.653 nan 8.150 nan 0.000 0.500 239 I N 3.509 124.019 120.570 -0.100 0.000 2.307 239 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 239 I C -0.719 175.401 176.117 0.006 0.000 1.054 239 I CA -0.248 61.033 61.300 -0.032 0.000 1.218 239 I CB 1.312 39.320 38.000 0.014 0.000 1.398 239 I HN 0.302 nan 8.210 nan 0.000 0.475 240 V N 5.960 125.887 119.914 0.021 0.000 2.409 240 V HA 0.575 4.695 4.120 -0.000 0.000 0.291 240 V C 0.415 176.526 176.094 0.028 0.000 1.020 240 V CA -0.742 61.575 62.300 0.028 0.000 0.848 240 V CB 1.543 33.395 31.823 0.049 0.000 0.990 240 V HN 0.745 nan 8.190 nan 0.000 0.430 241 A N 7.218 130.054 122.820 0.028 0.000 2.320 241 A HA 0.769 5.089 4.320 -0.000 0.000 0.287 241 A C -0.008 177.589 177.584 0.021 0.000 1.181 241 A CA -0.405 51.648 52.037 0.027 0.000 0.831 241 A CB 0.265 19.283 19.000 0.030 0.000 1.102 241 A HN 0.690 nan 8.150 nan 0.000 0.513 242 M N 2.003 121.613 119.600 0.018 0.000 2.359 242 M HA 0.360 4.840 4.480 -0.000 0.000 0.322 242 M C 1.520 177.828 176.300 0.013 0.000 1.166 242 M CA -0.385 54.923 55.300 0.013 0.000 1.067 242 M CB 0.793 33.398 32.600 0.008 0.000 1.523 242 M HN 0.799 nan 8.290 nan 0.000 0.467 243 A N 1.312 124.139 122.820 0.012 0.000 1.940 243 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 243 A C 1.103 178.693 177.584 0.010 0.000 1.176 243 A CA 2.171 54.215 52.037 0.012 0.000 0.631 243 A CB -1.003 18.003 19.000 0.011 0.000 0.814 243 A HN 0.899 nan 8.150 nan 0.000 0.446 244 D N -2.420 117.985 120.400 0.008 0.000 2.319 244 D HA 0.246 4.886 4.640 -0.000 0.000 0.230 244 D C 0.615 176.920 176.300 0.008 0.000 1.094 244 D CA 0.767 54.772 54.000 0.007 0.000 0.856 244 D CB -0.074 40.729 40.800 0.005 0.000 0.915 244 D HN 0.198 nan 8.370 nan 0.000 0.517 245 S N -1.931 113.775 115.700 0.010 0.000 2.488 245 S HA -0.281 4.189 4.470 -0.000 0.000 0.258 245 S C 0.402 175.010 174.600 0.014 0.000 1.281 245 S CA 0.633 58.840 58.200 0.012 0.000 1.334 245 S CB -1.725 61.482 63.200 0.011 0.000 1.647 245 S HN 0.708 nan 8.310 nan 0.000 0.635 246 Q N 1.132 120.939 119.800 0.012 0.000 2.300 246 Q HA 0.409 4.749 4.340 -0.000 0.000 0.280 246 Q C -0.513 175.498 176.000 0.018 0.000 1.033 246 Q CA 0.457 56.267 55.803 0.013 0.000 0.903 246 Q CB 0.321 29.064 28.738 0.008 0.000 1.195 246 Q HN 0.572 nan 8.270 nan 0.000 0.386 247 I N 5.025 125.610 120.570 0.024 0.000 2.330 247 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 247 I C -0.340 175.798 176.117 0.034 0.000 1.025 247 I CA -0.433 60.887 61.300 0.034 0.000 1.197 247 I CB 1.081 39.109 38.000 0.047 0.000 1.358 247 I HN 0.385 nan 8.210 nan 0.000 0.467 248 K N 5.261 125.675 120.400 0.023 0.000 2.234 248 K HA 0.483 4.802 4.320 -0.000 0.000 0.282 248 K C -0.686 175.921 176.600 0.012 0.000 1.039 248 K CA -0.655 55.639 56.287 0.013 0.000 0.928 248 K CB 2.154 34.648 32.500 -0.010 0.000 1.039 248 K HN 0.293 nan 8.250 nan 0.000 0.470 249 V N 5.862 125.784 119.914 0.014 0.000 2.334 249 V HA 0.251 4.371 4.120 -0.000 0.000 0.267 249 V C -0.065 175.985 176.094 -0.073 0.000 1.040 249 V CA -0.563 61.720 62.300 -0.027 0.000 0.866 249 V CB 0.121 31.968 31.823 0.040 0.000 1.019 249 V HN 0.580 nan 8.190 nan 0.000 0.468 250 L N 4.366 125.526 121.223 -0.105 0.000 2.330 250 L HA 0.671 5.011 4.340 -0.000 0.000 0.271 250 L C 0.185 176.938 176.870 -0.195 0.000 1.013 250 L CA -0.552 54.228 54.840 -0.099 0.000 0.816 250 L CB 2.219 44.282 42.059 0.007 0.000 1.287 250 L HN 0.537 nan 8.230 nan 0.000 0.435 251 E N 1.489 121.472 120.200 -0.362 0.000 2.264 251 E HA 0.292 4.642 4.350 -0.000 0.000 0.260 251 E C -1.921 174.434 176.600 -0.408 0.000 0.961 251 E CA -1.762 54.266 56.400 -0.619 0.000 0.834 251 E CB 1.903 30.796 29.700 -1.344 0.000 1.230 251 E HN 0.288 nan 8.360 nan 0.000 0.412 252 P HA -0.144 nan 4.420 nan 0.000 0.218 252 P C 0.970 178.302 177.300 0.054 0.000 1.149 252 P CA 1.085 64.152 63.100 -0.056 0.000 0.817 252 P CB -0.055 31.602 31.700 -0.071 0.000 0.785 253 F N -0.918 119.088 119.950 0.093 0.000 2.408 253 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 253 F C 1.148 176.965 175.800 0.029 0.000 1.090 253 F CA 0.687 58.720 58.000 0.055 0.000 1.427 253 F CB -1.894 37.120 39.000 0.023 0.000 1.070 253 F HN -0.129 nan 8.300 nan 0.000 0.549 254 D N -0.231 120.285 120.400 0.192 0.000 2.349 254 D HA 0.060 4.700 4.640 -0.000 0.000 0.224 254 D C 0.160 176.287 176.300 -0.288 0.000 1.029 254 D CA 0.570 54.562 54.000 -0.013 0.000 0.879 254 D CB -0.038 40.641 40.800 -0.201 0.000 0.906 254 D HN 0.247 nan 8.370 nan 0.000 0.528 255 F N 0.000 119.964 119.950 0.023 0.000 2.286 255 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 255 F CA 0.000 58.005 58.000 0.007 0.000 1.383 255 F CB 0.000 38.985 39.000 -0.024 0.000 1.145 255 F HN 0.000 nan 8.300 nan 0.000 0.574