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 2hlz_1_C DATA FIRST_RESID -3 DATA SEQUENCE SGLVPRGSQI LCVGLVVLDV ISLVDKYPKE DSEIRCLSQR WQRGGNASNS DATA SEQUENCE CTILSLLGAP CAFXGSXAPG HVADFVLDDL RRYSVDLRYT VFQTTGSVPI DATA SEQUENCE ATVIINEASG SRTILYYDRS LPDVSATDFE KVDLTQFKWI HIEGRNASEQ DATA SEQUENCE VKXLQRIDAH NTRQPPEQKI RVSVEVEKPR EELFQLFGYG DVVFVSKDVA DATA SEQUENCE KHLGFQSAEE ALRGLYGRVR KGAVLVCAWA EEGADALGPD GKLLHSDAFP DATA SEQUENCE PPRVVDTLGA GDTFNASVIF SLSQGRSVQE ALRFGCQVAG KKCGLQGFDG DATA SEQUENCE IV 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 -3 S HA 0.000 nan 4.470 nan 0.000 0.327 -3 S C 0.000 174.599 174.600 -0.002 0.000 1.055 -3 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 -3 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 -2 G N 2.014 110.812 108.800 -0.004 0.000 3.363 -2 G HA2 0.111 4.071 3.960 0.000 0.000 0.685 -2 G HA3 0.111 4.071 3.960 0.000 0.000 0.685 -2 G C -0.929 173.967 174.900 -0.008 0.000 1.199 -2 G CA -0.501 44.596 45.100 -0.005 0.000 0.946 -2 G HN 0.705 nan 8.290 nan 0.000 0.558 -1 L N 2.808 124.024 121.223 -0.012 0.000 2.559 -1 L HA 0.447 4.787 4.340 0.000 0.000 0.282 -1 L C 0.931 177.790 176.870 -0.019 0.000 1.232 -1 L CA 0.090 54.919 54.840 -0.018 0.000 0.885 -1 L CB 0.963 43.010 42.059 -0.020 0.000 1.131 -1 L HN 0.730 nan 8.230 nan 0.000 0.498 0 V N 7.751 127.648 119.914 -0.028 0.000 2.529 0 V HA 0.174 4.294 4.120 0.000 0.000 0.292 0 V C -1.694 174.376 176.094 -0.040 0.000 1.028 0 V CA -0.999 61.283 62.300 -0.030 0.000 1.074 0 V CB 0.223 32.019 31.823 -0.044 0.000 0.958 0 V HN 0.837 nan 8.190 nan 0.000 0.481 1 P HA 0.224 nan 4.420 nan 0.000 0.274 1 P C -0.298 176.979 177.300 -0.039 0.000 1.231 1 P CA -0.646 62.440 63.100 -0.024 0.000 0.790 1 P CB 0.400 32.096 31.700 -0.006 0.000 0.951 2 R N 1.065 121.544 120.500 -0.035 0.000 2.638 2 R HA 0.228 4.568 4.340 0.000 0.000 0.268 2 R C 0.798 177.088 176.300 -0.016 0.000 1.006 2 R CA 0.327 56.404 56.100 -0.038 0.000 1.088 2 R CB -1.190 29.101 30.300 -0.014 0.000 0.950 2 R HN 0.741 nan 8.270 nan 0.000 0.419 3 G N 1.404 110.194 108.800 -0.018 0.000 2.258 3 G HA2 -0.376 3.584 3.960 0.000 0.000 0.274 3 G HA3 -0.376 3.584 3.960 0.000 0.000 0.274 3 G C 0.604 175.542 174.900 0.063 0.000 1.021 3 G CA 0.715 45.840 45.100 0.041 0.000 0.798 3 G HN 0.905 nan 8.290 nan 0.000 0.507 4 S N -2.046 113.676 115.700 0.037 0.000 2.502 4 S HA 0.345 4.815 4.470 0.000 0.000 0.215 4 S C 0.777 175.446 174.600 0.116 0.000 1.009 4 S CA 0.553 58.791 58.200 0.063 0.000 0.908 4 S CB 0.459 63.678 63.200 0.033 0.000 0.801 4 S HN 0.627 nan 8.310 nan 0.000 0.505 5 Q N 0.331 120.234 119.800 0.172 0.000 2.301 5 Q HA 0.601 4.941 4.340 0.000 0.000 0.267 5 Q C -1.150 175.095 176.000 0.410 0.000 1.035 5 Q CA -0.690 55.285 55.803 0.288 0.000 0.856 5 Q CB 2.103 31.061 28.738 0.365 0.000 1.337 5 Q HN 0.358 nan 8.270 nan 0.000 0.450 6 I N 2.325 123.078 120.570 0.304 0.000 2.315 6 I HA 0.178 4.348 4.170 0.000 0.000 0.291 6 I C -0.711 175.512 176.117 0.176 0.000 1.006 6 I CA -0.668 60.788 61.300 0.260 0.000 1.265 6 I CB 0.791 38.860 38.000 0.114 0.000 1.387 6 I HN 0.302 nan 8.210 nan 0.000 0.475 7 L N 7.933 129.163 121.223 0.012 0.000 2.289 7 L HA 0.444 4.784 4.340 0.000 0.000 0.285 7 L C -0.793 176.058 176.870 -0.031 0.000 1.049 7 L CA 0.194 54.885 54.840 -0.247 0.000 0.804 7 L CB 0.876 42.362 42.059 -0.956 0.000 1.195 7 L HN 0.638 nan 8.230 nan 0.000 0.428 8 C N 4.822 124.131 119.300 0.014 0.000 2.319 8 C HA 0.653 5.113 4.460 0.000 0.000 0.323 8 C C -0.246 174.722 174.990 -0.037 0.000 1.277 8 C CA -1.066 58.009 59.018 0.095 0.000 1.517 8 C CB 0.926 28.783 27.740 0.196 0.000 2.206 8 C HN 0.562 nan 8.230 nan 0.000 0.486 9 V N 3.917 123.778 119.914 -0.089 0.000 2.384 9 V HA 0.947 5.067 4.120 0.000 0.000 0.287 9 V C 0.634 176.642 176.094 -0.143 0.000 1.020 9 V CA 0.516 62.702 62.300 -0.189 0.000 0.850 9 V CB 0.737 32.453 31.823 -0.178 0.000 0.987 9 V HN 1.253 nan 8.190 nan 0.000 0.436 10 G N 3.982 112.695 108.800 -0.145 0.000 2.441 10 G HA2 0.364 4.324 3.960 0.000 0.000 0.225 10 G HA3 0.364 4.324 3.960 0.000 0.000 0.225 10 G C -1.618 173.333 174.900 0.085 0.000 1.200 10 G CA -0.901 44.187 45.100 -0.021 0.000 0.947 10 G HN 0.499 nan 8.290 nan 0.000 0.484 11 L N 0.523 121.849 121.223 0.171 0.000 2.343 11 L HA 0.737 5.077 4.340 0.000 0.000 0.275 11 L C -0.001 177.029 176.870 0.266 0.000 1.056 11 L CA -1.013 53.945 54.840 0.197 0.000 0.804 11 L CB 1.595 43.728 42.059 0.122 0.000 1.203 11 L HN 0.377 nan 8.230 nan 0.000 0.440 12 V N 3.588 123.637 119.914 0.225 0.000 2.547 12 V HA 0.654 4.774 4.120 0.000 0.000 0.299 12 V C -0.475 175.642 176.094 0.039 0.000 1.040 12 V CA -0.306 62.015 62.300 0.034 0.000 0.913 12 V CB 2.202 33.982 31.823 -0.071 0.000 0.992 12 V HN 0.470 nan 8.190 nan 0.000 0.449 13 V N 6.418 126.338 119.914 0.009 0.000 2.841 13 V HA 0.444 4.564 4.120 0.000 0.000 0.310 13 V C -0.687 175.389 176.094 -0.030 0.000 1.090 13 V CA -0.788 61.508 62.300 -0.006 0.000 0.930 13 V CB 1.788 33.648 31.823 0.062 0.000 1.014 13 V HN 0.822 nan 8.190 nan 0.000 0.425 14 L N 3.421 124.583 121.223 -0.102 0.000 2.281 14 L HA 0.576 4.916 4.340 0.000 0.000 0.285 14 L C -0.476 176.276 176.870 -0.197 0.000 1.074 14 L CA 0.413 55.159 54.840 -0.157 0.000 0.817 14 L CB 0.703 42.562 42.059 -0.333 0.000 1.168 14 L HN 0.566 nan 8.230 nan 0.000 0.434 15 D N 4.780 125.109 120.400 -0.118 0.000 2.313 15 D HA 0.267 4.907 4.640 0.000 0.000 0.239 15 D C -0.637 175.555 176.300 -0.181 0.000 1.142 15 D CA 0.034 53.975 54.000 -0.099 0.000 0.847 15 D CB 1.785 42.588 40.800 0.005 0.000 1.082 15 D HN 0.269 nan 8.370 nan 0.000 0.480 16 V N 4.472 124.257 119.914 -0.215 0.000 2.318 16 V HA 0.323 4.443 4.120 0.000 0.000 0.271 16 V C 0.495 176.557 176.094 -0.053 0.000 1.030 16 V CA -0.626 61.557 62.300 -0.195 0.000 0.844 16 V CB 0.613 32.278 31.823 -0.263 0.000 1.015 16 V HN 0.360 nan 8.190 nan 0.000 0.460 17 I N 3.739 124.314 120.570 0.008 0.000 2.339 17 I HA 0.405 4.575 4.170 0.000 0.000 0.290 17 I C 0.227 176.358 176.117 0.024 0.000 0.994 17 I CA 0.071 61.380 61.300 0.015 0.000 1.191 17 I CB 1.700 39.712 38.000 0.020 0.000 1.343 17 I HN 0.473 nan 8.210 nan 0.000 0.458 18 S N 6.905 122.612 115.700 0.012 0.000 2.456 18 S HA 0.538 5.008 4.470 0.000 0.000 0.316 18 S C -0.433 174.171 174.600 0.007 0.000 1.089 18 S CA -0.556 57.649 58.200 0.008 0.000 1.101 18 S CB 1.177 64.375 63.200 -0.004 0.000 0.995 18 S HN 0.262 nan 8.310 nan 0.000 0.468 19 L N 4.268 125.495 121.223 0.006 0.000 2.292 19 L HA 0.583 4.923 4.340 0.000 0.000 0.284 19 L C -0.048 176.823 176.870 0.002 0.000 1.065 19 L CA -0.092 54.752 54.840 0.006 0.000 0.806 19 L CB 1.213 43.275 42.059 0.005 0.000 1.175 19 L HN 0.534 nan 8.230 nan 0.000 0.431 20 V N -0.317 119.601 119.914 0.006 0.000 3.040 20 V HA 0.592 4.712 4.120 0.000 0.000 0.312 20 V C 0.198 176.299 176.094 0.012 0.000 1.115 20 V CA -0.637 61.663 62.300 -0.000 0.000 0.998 20 V CB 2.003 33.815 31.823 -0.019 0.000 1.042 20 V HN 0.763 nan 8.190 nan 0.000 0.433 21 D N 0.869 121.274 120.400 0.008 0.000 2.333 21 D HA 0.093 4.733 4.640 0.000 0.000 0.208 21 D C 0.436 176.751 176.300 0.025 0.000 0.984 21 D CA 0.947 54.955 54.000 0.014 0.000 0.873 21 D CB 0.464 41.269 40.800 0.007 0.000 0.935 21 D HN 0.821 nan 8.370 nan 0.000 0.521 22 K N -1.557 118.862 120.400 0.030 0.000 2.555 22 K HA 0.305 4.625 4.320 0.000 0.000 0.279 22 K C -1.373 175.275 176.600 0.080 0.000 0.986 22 K CA -1.116 55.206 56.287 0.058 0.000 0.880 22 K CB 0.088 32.615 32.500 0.045 0.000 1.474 22 K HN 0.058 nan 8.250 nan 0.000 0.433 23 Y N 2.557 122.855 120.300 -0.003 0.000 2.465 23 Y HA 0.387 4.937 4.550 0.000 0.000 0.331 23 Y C -2.094 173.804 175.900 -0.003 0.000 1.102 23 Y CA -1.442 56.656 58.100 -0.003 0.000 1.358 23 Y CB 0.545 39.004 38.460 -0.002 0.000 1.213 23 Y HN 0.593 nan 8.280 nan 0.000 0.525 24 P HA 0.006 nan 4.420 nan 0.000 0.268 24 P C -0.907 176.254 177.300 -0.231 0.000 1.204 24 P CA -0.284 62.621 63.100 -0.324 0.000 0.768 24 P CB 0.587 32.070 31.700 -0.361 0.000 0.842 25 K N 2.790 123.136 120.400 -0.090 0.000 2.368 25 K HA 0.028 4.348 4.320 0.000 0.000 0.282 25 K C 0.179 176.751 176.600 -0.048 0.000 1.035 25 K CA -0.431 55.837 56.287 -0.032 0.000 0.973 25 K CB -0.152 32.340 32.500 -0.013 0.000 0.957 25 K HN 0.662 nan 8.250 nan 0.000 0.474 26 E N 2.289 122.479 120.200 -0.017 0.000 2.529 26 E HA -0.114 4.236 4.350 0.000 0.000 0.259 26 E C -0.041 176.546 176.600 -0.021 0.000 0.966 26 E CA 1.124 57.513 56.400 -0.019 0.000 0.937 26 E CB 0.183 29.887 29.700 0.006 0.000 0.923 26 E HN 0.801 nan 8.360 nan 0.000 0.468 27 D N 1.670 122.053 120.400 -0.029 0.000 3.006 27 D HA -0.184 4.456 4.640 0.000 0.000 0.205 27 D C -0.630 175.654 176.300 -0.027 0.000 1.075 27 D CA 1.339 55.324 54.000 -0.024 0.000 1.000 27 D CB -1.232 39.559 40.800 -0.015 0.000 1.097 27 D HN 0.418 nan 8.370 nan 0.000 0.426 28 S N -0.547 115.132 115.700 -0.036 0.000 2.693 28 S HA 0.566 5.036 4.470 0.000 0.000 0.276 28 S C 0.081 174.655 174.600 -0.042 0.000 1.192 28 S CA -0.652 57.526 58.200 -0.036 0.000 0.994 28 S CB 2.238 65.415 63.200 -0.038 0.000 1.012 28 S HN 0.298 nan 8.310 nan 0.000 0.550 29 E N 0.292 120.470 120.200 -0.037 0.000 2.165 29 E HA 0.603 4.953 4.350 0.000 0.000 0.266 29 E C -1.334 175.243 176.600 -0.038 0.000 0.889 29 E CA -0.651 55.727 56.400 -0.038 0.000 0.756 29 E CB 1.089 30.772 29.700 -0.029 0.000 1.131 29 E HN 0.689 nan 8.360 nan 0.000 0.411 30 I N 2.322 122.865 120.570 -0.045 0.000 2.740 30 I HA 0.447 4.617 4.170 0.000 0.000 0.303 30 I C -0.778 175.318 176.117 -0.035 0.000 1.044 30 I CA -0.817 60.458 61.300 -0.042 0.000 1.064 30 I CB 1.654 39.619 38.000 -0.059 0.000 1.249 30 I HN 0.305 nan 8.210 nan 0.000 0.433 31 R N 3.882 124.366 120.500 -0.027 0.000 2.297 31 R HA 0.388 4.728 4.340 0.000 0.000 0.308 31 R C -0.782 175.506 176.300 -0.020 0.000 1.029 31 R CA -0.590 55.497 56.100 -0.021 0.000 0.929 31 R CB 0.561 30.851 30.300 -0.016 0.000 1.046 31 R HN 0.741 nan 8.270 nan 0.000 0.461 32 C N 3.638 122.927 119.300 -0.018 0.000 2.653 32 C HA 0.160 4.620 4.460 0.000 0.000 0.421 32 C C 2.544 177.529 174.990 -0.008 0.000 1.334 32 C CA -0.407 58.603 59.018 -0.013 0.000 1.885 32 C CB -0.860 26.874 27.740 -0.010 0.000 2.645 32 C HN 0.876 nan 8.230 nan 0.000 0.601 33 L N 2.660 123.880 121.223 -0.005 0.000 2.109 33 L HA 0.018 4.358 4.340 0.000 0.000 0.207 33 L C 1.232 178.101 176.870 -0.001 0.000 1.086 33 L CA 1.232 56.070 54.840 -0.003 0.000 0.760 33 L CB -0.621 41.438 42.059 -0.001 0.000 0.910 33 L HN 0.915 nan 8.230 nan 0.000 0.437 34 S N -2.000 113.701 115.700 0.001 0.000 2.615 34 S HA 0.497 4.967 4.470 0.000 0.000 0.268 34 S C -1.090 173.516 174.600 0.011 0.000 1.146 34 S CA -0.910 57.293 58.200 0.005 0.000 0.818 34 S CB 2.681 65.884 63.200 0.006 0.000 1.111 34 S HN 0.132 nan 8.310 nan 0.000 0.465 35 Q N 0.214 120.026 119.800 0.019 0.000 2.320 35 Q HA 0.634 4.974 4.340 0.000 0.000 0.272 35 Q C -1.658 174.378 176.000 0.059 0.000 1.023 35 Q CA -0.640 55.186 55.803 0.039 0.000 0.855 35 Q CB 1.792 30.554 28.738 0.039 0.000 1.367 35 Q HN 0.919 nan 8.270 nan 0.000 0.406 36 R N 1.177 121.737 120.500 0.099 0.000 2.707 36 R HA 0.500 4.840 4.340 0.000 0.000 0.272 36 R C -1.678 174.784 176.300 0.270 0.000 1.011 36 R CA -0.791 55.395 56.100 0.143 0.000 0.893 36 R CB 0.865 31.228 30.300 0.104 0.000 1.233 36 R HN 0.328 nan 8.270 nan 0.000 0.464 37 W N 1.514 122.756 121.300 -0.098 0.000 2.316 37 W HA 0.415 5.075 4.660 -0.000 0.000 0.321 37 W C -0.029 176.526 176.519 0.060 0.000 1.203 37 W CA -0.095 57.145 57.345 -0.176 0.000 1.214 37 W CB 1.203 30.284 29.460 -0.632 0.000 1.169 37 W HN 0.612 nan 8.180 nan 0.000 0.561 38 Q N 3.026 123.012 119.800 0.310 0.000 2.281 38 Q HA 0.279 4.619 4.340 0.000 0.000 0.263 38 Q C -0.506 175.709 176.000 0.358 0.000 0.989 38 Q CA -0.957 55.073 55.803 0.377 0.000 0.852 38 Q CB 1.705 30.566 28.738 0.206 0.000 1.337 38 Q HN 0.582 nan 8.270 nan 0.000 0.418 39 R N 1.885 122.621 120.500 0.394 0.000 2.570 39 R HA 0.421 4.761 4.340 0.000 0.000 0.277 39 R C -0.340 176.039 176.300 0.131 0.000 1.039 39 R CA 1.088 57.311 56.100 0.205 0.000 1.065 39 R CB 0.326 30.645 30.300 0.032 0.000 0.964 39 R HN 0.736 nan 8.270 nan 0.000 0.428 40 G N 1.003 109.840 108.800 0.063 0.000 3.058 40 G HA2 0.617 4.577 3.960 0.000 0.000 0.282 40 G HA3 0.617 4.577 3.960 0.000 0.000 0.282 40 G C -0.541 174.362 174.900 0.003 0.000 1.248 40 G CA -0.484 44.649 45.100 0.056 0.000 0.822 40 G HN 0.991 nan 8.290 nan 0.000 0.579 41 G N -0.937 107.892 108.800 0.048 0.000 2.785 41 G HA2 -0.050 3.910 3.960 0.000 0.000 0.686 41 G HA3 -0.050 3.910 3.960 0.000 0.000 0.686 41 G C 0.255 175.171 174.900 0.027 0.000 1.155 41 G CA 0.351 45.486 45.100 0.058 0.000 0.760 41 G HN 0.746 nan 8.290 nan 0.000 0.624 42 N N 0.675 119.401 118.700 0.044 0.000 2.080 42 N HA 0.017 4.757 4.740 0.000 0.000 0.189 42 N C 2.838 178.367 175.510 0.032 0.000 1.036 42 N CA 2.602 55.668 53.050 0.026 0.000 0.846 42 N CB -0.490 38.016 38.487 0.031 0.000 1.015 42 N HN 1.172 nan 8.380 nan 0.000 0.423 43 A N 0.214 123.098 122.820 0.107 0.000 1.902 43 A HA -0.142 4.178 4.320 0.000 0.000 0.217 43 A C 2.383 180.056 177.584 0.148 0.000 1.181 43 A CA 2.019 54.168 52.037 0.187 0.000 0.623 43 A CB -1.073 18.080 19.000 0.254 0.000 0.818 43 A HN 0.342 nan 8.150 nan 0.000 0.443 44 S N 0.356 116.076 115.700 0.033 0.000 2.353 44 S HA -0.238 4.232 4.470 0.000 0.000 0.222 44 S C 1.952 176.369 174.600 -0.305 0.000 1.035 44 S CA 1.863 59.859 58.200 -0.341 0.000 1.025 44 S CB -0.609 62.289 63.200 -0.502 0.000 0.902 44 S HN 0.623 nan 8.310 nan 0.000 0.440 45 N N 1.200 119.741 118.700 -0.265 0.000 2.166 45 N HA 0.006 4.746 4.740 0.000 0.000 0.186 45 N C 1.952 177.197 175.510 -0.442 0.000 1.019 45 N CA 1.325 54.113 53.050 -0.436 0.000 0.856 45 N CB -0.858 37.429 38.487 -0.333 0.000 0.993 45 N HN 0.422 nan 8.380 nan 0.000 0.426 46 S N 0.168 115.710 115.700 -0.264 0.000 2.387 46 S HA -0.128 4.342 4.470 0.000 0.000 0.230 46 S C 2.240 176.697 174.600 -0.238 0.000 1.035 46 S CA 0.877 58.929 58.200 -0.246 0.000 1.014 46 S CB -0.346 62.746 63.200 -0.179 0.000 0.836 46 S HN 0.464 nan 8.310 nan 0.000 0.466 47 C N 1.212 120.395 119.300 -0.195 0.000 2.457 47 C HA -0.021 4.439 4.460 0.000 0.000 0.278 47 C C 2.931 177.761 174.990 -0.267 0.000 1.309 47 C CA 0.890 59.815 59.018 -0.155 0.000 1.735 47 C CB -1.614 26.085 27.740 -0.069 0.000 1.992 47 C HN 0.615 nan 8.230 nan 0.000 0.493 48 T N 1.750 116.030 114.554 -0.457 0.000 2.652 48 T HA -0.139 4.211 4.350 0.000 0.000 0.267 48 T C 1.698 176.090 174.700 -0.512 0.000 1.039 48 T CA 1.450 63.127 62.100 -0.705 0.000 1.153 48 T CB -0.193 68.084 68.868 -0.985 0.000 0.863 48 T HN 0.310 nan 8.240 nan 0.000 0.428 49 I N 0.950 121.241 120.570 -0.465 0.000 2.202 49 I HA -0.046 4.124 4.170 0.000 0.000 0.242 49 I C 2.473 178.432 176.117 -0.264 0.000 1.091 49 I CA 1.096 62.194 61.300 -0.336 0.000 1.368 49 I CB -1.413 36.397 38.000 -0.317 0.000 1.058 49 I HN 0.253 nan 8.210 nan 0.000 0.410 50 L N 0.302 121.387 121.223 -0.230 0.000 1.990 50 L HA -0.302 4.038 4.340 0.000 0.000 0.213 50 L C 2.855 179.646 176.870 -0.132 0.000 1.072 50 L CA 1.897 56.641 54.840 -0.160 0.000 0.755 50 L CB -0.678 41.325 42.059 -0.093 0.000 0.889 50 L HN 0.278 nan 8.230 nan 0.000 0.432 51 S N 0.037 115.679 115.700 -0.098 0.000 2.359 51 S HA -0.208 4.262 4.470 0.000 0.000 0.223 51 S C 2.003 176.588 174.600 -0.025 0.000 1.039 51 S CA 1.505 59.693 58.200 -0.020 0.000 1.042 51 S CB -0.318 62.913 63.200 0.052 0.000 0.915 51 S HN 0.308 nan 8.310 nan 0.000 0.439 52 L N 0.862 122.055 121.223 -0.050 0.000 2.079 52 L HA -0.081 4.259 4.340 0.000 0.000 0.210 52 L C 2.295 179.089 176.870 -0.128 0.000 1.081 52 L CA 1.080 55.900 54.840 -0.033 0.000 0.752 52 L CB -0.444 41.595 42.059 -0.033 0.000 0.896 52 L HN 0.367 nan 8.230 nan 0.000 0.433 53 L N -0.572 120.488 121.223 -0.271 0.000 2.465 53 L HA 0.000 4.340 4.340 0.000 0.000 0.224 53 L C 1.461 178.071 176.870 -0.434 0.000 1.145 53 L CA 0.718 55.227 54.840 -0.550 0.000 0.834 53 L CB -0.506 40.896 42.059 -1.095 0.000 0.944 53 L HN 0.550 nan 8.230 nan 0.000 0.451 54 G N -0.119 108.582 108.800 -0.165 0.000 2.131 54 G HA2 -0.220 3.740 3.960 0.000 0.000 0.223 54 G HA3 -0.220 3.740 3.960 0.000 0.000 0.223 54 G C 0.238 175.206 174.900 0.115 0.000 0.990 54 G CA -0.061 45.039 45.100 0.001 0.000 0.671 54 G HN 0.461 nan 8.290 nan 0.000 0.521 55 A N 0.815 123.709 122.820 0.124 0.000 2.269 55 A HA 0.725 5.045 4.320 0.000 0.000 0.302 55 A C -1.617 176.032 177.584 0.108 0.000 1.266 55 A CA -1.281 50.866 52.037 0.183 0.000 0.894 55 A CB 0.440 19.591 19.000 0.252 0.000 1.147 55 A HN 0.124 nan 8.150 nan 0.000 0.537 56 P HA 0.130 nan 4.420 nan 0.000 0.260 56 P C -0.120 177.258 177.300 0.131 0.000 1.172 56 P CA 0.341 63.504 63.100 0.106 0.000 0.760 56 P CB -0.019 31.742 31.700 0.101 0.000 0.773 57 C N 1.574 120.952 119.300 0.130 0.000 3.236 57 C HA 0.950 5.410 4.460 0.000 0.000 0.312 57 C C -0.792 174.313 174.990 0.192 0.000 1.374 57 C CA -1.114 57.998 59.018 0.156 0.000 1.455 57 C CB 1.354 29.151 27.740 0.095 0.000 1.834 57 C HN 0.619 nan 8.230 nan 0.000 0.460 58 A N 0.665 123.617 122.820 0.221 0.000 2.422 58 A HA 0.823 5.143 4.320 0.000 0.000 0.302 58 A C -1.191 176.518 177.584 0.208 0.000 1.041 58 A CA -0.281 51.906 52.037 0.251 0.000 0.708 58 A CB 1.096 20.342 19.000 0.409 0.000 1.257 58 A HN 1.407 nan 8.150 nan 0.000 0.414 65 P HA 0.532 nan 4.420 nan 0.000 0.269 65 P C 0.626 178.004 177.300 0.129 0.000 1.209 65 P CA 1.209 64.429 63.100 0.201 0.000 0.776 65 P CB 0.962 32.723 31.700 0.100 0.000 0.876 66 G N 0.588 109.445 108.800 0.095 0.000 2.362 66 G HA2 -0.024 3.936 3.960 0.000 0.000 0.288 66 G HA3 -0.024 3.936 3.960 0.000 0.000 0.288 66 G C -0.022 174.918 174.900 0.066 0.000 1.305 66 G CA -0.547 44.596 45.100 0.072 0.000 0.910 66 G HN 0.482 nan 8.290 nan 0.000 0.518 67 H N -0.965 118.194 119.070 0.147 0.000 2.357 67 H HA 0.059 4.615 4.556 0.000 0.000 0.301 67 H C 2.741 178.237 175.328 0.279 0.000 1.082 67 H CA 2.045 58.206 56.048 0.187 0.000 1.342 67 H CB -0.087 29.779 29.762 0.174 0.000 1.389 67 H HN 0.248 nan 8.280 nan 0.000 0.511 68 V N 0.774 120.913 119.914 0.375 0.000 2.295 68 V HA -0.269 3.851 4.120 0.000 0.000 0.246 68 V C 2.614 178.884 176.094 0.293 0.000 1.049 68 V CA 1.643 64.132 62.300 0.315 0.000 1.024 68 V CB -1.073 30.822 31.823 0.121 0.000 0.648 68 V HN 0.593 nan 8.190 nan 0.000 0.447 69 A N 0.100 123.046 122.820 0.210 0.000 1.892 69 A HA -0.326 3.994 4.320 0.000 0.000 0.218 69 A C 1.991 179.694 177.584 0.197 0.000 1.188 69 A CA 2.320 54.466 52.037 0.183 0.000 0.631 69 A CB -0.807 18.308 19.000 0.192 0.000 0.822 69 A HN 0.564 nan 8.150 nan 0.000 0.447 70 D N -1.284 119.238 120.400 0.204 0.000 2.133 70 D HA -0.164 4.476 4.640 0.000 0.000 0.195 70 D C 1.622 178.045 176.300 0.206 0.000 0.997 70 D CA 1.555 55.658 54.000 0.172 0.000 0.840 70 D CB -0.451 40.431 40.800 0.136 0.000 0.947 70 D HN 0.538 nan 8.370 nan 0.000 0.452 71 F N 1.516 121.571 119.950 0.175 0.000 2.113 71 F HA -0.191 4.336 4.527 0.000 0.000 0.297 71 F C 2.248 178.137 175.800 0.149 0.000 1.103 71 F CA 1.423 59.543 58.000 0.199 0.000 1.248 71 F CB -0.335 38.890 39.000 0.374 0.000 0.999 71 F HN -0.089 nan 8.300 nan 0.000 0.475 72 V N -0.785 119.176 119.914 0.079 0.000 2.453 72 V HA -0.177 3.943 4.120 0.000 0.000 0.247 72 V C 2.239 178.262 176.094 -0.118 0.000 1.048 72 V CA 1.728 63.975 62.300 -0.087 0.000 1.049 72 V CB -1.179 30.670 31.823 0.043 0.000 0.672 72 V HN 0.459 nan 8.190 nan 0.000 0.457 73 L N 0.834 122.044 121.223 -0.021 0.000 2.017 73 L HA -0.161 4.179 4.340 0.000 0.000 0.208 73 L C 2.815 179.671 176.870 -0.023 0.000 1.073 73 L CA 2.379 57.223 54.840 0.007 0.000 0.745 73 L CB -0.849 41.263 42.059 0.088 0.000 0.894 73 L HN 0.490 nan 8.230 nan 0.000 0.432 74 D N 0.085 120.457 120.400 -0.046 0.000 2.123 74 D HA -0.275 4.365 4.640 0.000 0.000 0.196 74 D C 1.620 177.851 176.300 -0.115 0.000 0.992 74 D CA 1.938 55.898 54.000 -0.066 0.000 0.833 74 D CB 0.108 40.876 40.800 -0.054 0.000 0.954 74 D HN 0.365 nan 8.370 nan 0.000 0.455 75 D N -0.348 119.919 120.400 -0.221 0.000 2.097 75 D HA -0.106 4.534 4.640 0.000 0.000 0.195 75 D C 2.551 178.863 176.300 0.020 0.000 0.989 75 D CA 0.805 54.706 54.000 -0.163 0.000 0.827 75 D CB -0.116 40.490 40.800 -0.325 0.000 0.966 75 D HN 0.188 nan 8.370 nan 0.000 0.456 76 L N 0.116 121.318 121.223 -0.036 0.000 2.013 76 L HA -0.213 4.127 4.340 0.000 0.000 0.212 76 L C 2.684 179.588 176.870 0.057 0.000 1.073 76 L CA 1.391 56.232 54.840 0.001 0.000 0.753 76 L CB -0.363 41.657 42.059 -0.066 0.000 0.890 76 L HN 0.070 nan 8.230 nan 0.000 0.432 77 R N -0.659 119.853 120.500 0.021 0.000 2.091 77 R HA -0.168 4.172 4.340 0.000 0.000 0.238 77 R C 2.393 178.684 176.300 -0.014 0.000 1.136 77 R CA 1.220 57.328 56.100 0.014 0.000 0.959 77 R CB -0.358 29.943 30.300 0.002 0.000 0.856 77 R HN 0.307 nan 8.270 nan 0.000 0.437 78 R N -0.312 120.153 120.500 -0.058 0.000 2.117 78 R HA -0.174 4.166 4.340 0.000 0.000 0.243 78 R C 1.022 177.148 176.300 -0.291 0.000 1.143 78 R CA 1.537 57.523 56.100 -0.191 0.000 0.968 78 R CB -0.117 30.008 30.300 -0.291 0.000 0.863 78 R HN 0.319 nan 8.270 nan 0.000 0.444 79 Y N -0.282 119.991 120.300 -0.046 0.000 2.493 79 Y HA 0.147 4.697 4.550 0.000 0.000 0.275 79 Y C 0.678 176.563 175.900 -0.026 0.000 1.183 79 Y CA -0.118 57.957 58.100 -0.042 0.000 1.258 79 Y CB 0.558 38.979 38.460 -0.064 0.000 1.108 79 Y HN -0.087 nan 8.280 nan 0.000 0.521 80 S N -0.419 115.327 115.700 0.076 0.000 3.587 80 S HA -0.144 4.326 4.470 0.000 0.000 0.337 80 S C 0.013 174.663 174.600 0.084 0.000 1.119 80 S CA 0.357 58.593 58.200 0.061 0.000 0.976 80 S CB -1.995 61.231 63.200 0.044 0.000 0.922 80 S HN 0.149 nan 8.310 nan 0.000 0.503 81 V N 2.242 122.216 119.914 0.099 0.000 2.488 81 V HA 0.191 4.311 4.120 0.000 0.000 0.277 81 V C 0.823 176.986 176.094 0.116 0.000 1.046 81 V CA -0.596 61.768 62.300 0.106 0.000 0.986 81 V CB 1.192 33.069 31.823 0.089 0.000 0.989 81 V HN 0.419 nan 8.190 nan 0.000 0.475 82 D N 4.389 124.871 120.400 0.136 0.000 2.401 82 D HA 0.098 4.738 4.640 0.000 0.000 0.254 82 D C 0.369 176.763 176.300 0.155 0.000 1.192 82 D CA 0.229 54.309 54.000 0.132 0.000 0.885 82 D CB 1.057 41.953 40.800 0.159 0.000 1.147 82 D HN 0.493 nan 8.370 nan 0.000 0.478 83 L N 4.773 126.066 121.223 0.115 0.000 2.910 83 L HA 0.161 4.501 4.340 0.000 0.000 0.252 83 L C 2.310 179.222 176.870 0.069 0.000 1.195 83 L CA -0.383 54.537 54.840 0.134 0.000 1.003 83 L CB 0.065 42.211 42.059 0.145 0.000 1.328 83 L HN 0.374 nan 8.230 nan 0.000 0.540 84 R N -0.287 120.194 120.500 -0.033 0.000 2.159 84 R HA -0.195 4.145 4.340 0.000 0.000 0.237 84 R C 0.773 176.908 176.300 -0.276 0.000 1.131 84 R CA 1.675 57.653 56.100 -0.205 0.000 0.982 84 R CB -0.509 29.548 30.300 -0.406 0.000 0.868 84 R HN 0.269 nan 8.270 nan 0.000 0.453 85 Y N 1.958 122.299 120.300 0.068 0.000 2.493 85 Y HA 0.224 4.774 4.550 0.000 0.000 0.275 85 Y C 0.259 176.134 175.900 -0.041 0.000 1.183 85 Y CA -0.404 57.704 58.100 0.012 0.000 1.258 85 Y CB 0.120 38.572 38.460 -0.014 0.000 1.108 85 Y HN -0.065 nan 8.280 nan 0.000 0.521 86 T N 1.249 115.854 114.554 0.085 0.000 2.905 86 T HA 0.098 4.448 4.350 0.000 0.000 0.299 86 T C 0.215 174.900 174.700 -0.025 0.000 1.024 86 T CA 0.240 62.325 62.100 -0.024 0.000 1.151 86 T CB 0.694 69.529 68.868 -0.054 0.000 0.987 86 T HN -0.130 nan 8.240 nan 0.000 0.535 87 V N 5.331 125.179 119.914 -0.109 0.000 2.277 87 V HA 0.295 4.416 4.120 0.000 0.000 0.269 87 V C 0.022 176.055 176.094 -0.102 0.000 1.036 87 V CA -0.775 61.505 62.300 -0.033 0.000 0.821 87 V CB -0.525 31.286 31.823 -0.020 0.000 1.052 87 V HN 0.710 nan 8.190 nan 0.000 0.462 88 F N 3.095 123.071 119.950 0.043 0.000 2.518 88 F HA 0.332 4.859 4.527 0.000 0.000 0.359 88 F C 0.955 176.773 175.800 0.031 0.000 1.118 88 F CA 0.463 58.487 58.000 0.039 0.000 1.287 88 F CB 0.606 39.627 39.000 0.035 0.000 1.132 88 F HN 0.381 nan 8.300 nan 0.000 0.587 89 Q N 0.746 120.664 119.800 0.197 0.000 2.377 89 Q HA 0.275 4.615 4.340 0.000 0.000 0.271 89 Q C 0.590 176.663 176.000 0.122 0.000 1.077 89 Q CA -0.317 55.556 55.803 0.116 0.000 0.820 89 Q CB 1.804 30.576 28.738 0.057 0.000 1.347 89 Q HN 0.764 nan 8.270 nan 0.000 0.444 90 T N -3.365 111.239 114.554 0.083 0.000 3.060 90 T HA 0.100 4.450 4.350 0.000 0.000 0.249 90 T C 0.725 175.456 174.700 0.051 0.000 1.079 90 T CA 0.355 62.495 62.100 0.066 0.000 1.013 90 T CB 0.084 68.982 68.868 0.051 0.000 0.975 90 T HN 0.618 nan 8.240 nan 0.000 0.518 91 T N -1.712 112.869 114.554 0.044 0.000 2.916 91 T HA 0.689 5.040 4.350 0.000 0.000 0.292 91 T C 0.413 175.128 174.700 0.025 0.000 1.055 91 T CA -0.238 61.881 62.100 0.032 0.000 1.009 91 T CB 1.522 70.403 68.868 0.022 0.000 1.118 91 T HN 1.150 nan 8.240 nan 0.000 0.497 92 G N 0.950 109.759 108.800 0.014 0.000 2.829 92 G HA2 0.229 4.189 3.960 0.000 0.000 0.628 92 G HA3 0.229 4.189 3.960 0.000 0.000 0.628 92 G C -0.478 174.423 174.900 0.001 0.000 1.412 92 G CA -0.351 44.747 45.100 -0.004 0.000 0.864 92 G HN 1.359 nan 8.290 nan 0.000 0.544 93 S N -1.774 113.909 115.700 -0.028 0.000 2.618 93 S HA 0.664 5.134 4.470 0.000 0.000 0.277 93 S C 0.112 174.682 174.600 -0.050 0.000 1.138 93 S CA -0.307 57.881 58.200 -0.021 0.000 0.844 93 S CB 2.052 65.237 63.200 -0.024 0.000 1.127 93 S HN 1.346 nan 8.310 nan 0.000 0.474 94 V N 4.514 124.410 119.914 -0.030 0.000 2.617 94 V HA 0.139 4.259 4.120 0.000 0.000 0.304 94 V C -1.770 174.251 176.094 -0.122 0.000 1.040 94 V CA -0.798 61.474 62.300 -0.047 0.000 1.149 94 V CB -0.088 31.729 31.823 -0.010 0.000 0.914 94 V HN 0.652 nan 8.190 nan 0.000 0.487 95 P HA 0.270 nan 4.420 nan 0.000 0.272 95 P C -0.759 176.344 177.300 -0.328 0.000 1.223 95 P CA -0.065 62.849 63.100 -0.310 0.000 0.784 95 P CB 0.911 32.416 31.700 -0.325 0.000 0.923 96 I N 0.862 121.203 120.570 -0.381 0.000 2.406 96 I HA 0.474 4.644 4.170 0.000 0.000 0.290 96 I C 0.130 176.039 176.117 -0.346 0.000 0.999 96 I CA -0.989 60.134 61.300 -0.296 0.000 1.124 96 I CB 1.938 39.842 38.000 -0.159 0.000 1.289 96 I HN 0.274 nan 8.210 nan 0.000 0.441 97 A N 4.282 126.945 122.820 -0.263 0.000 2.258 97 A HA 0.618 4.938 4.320 0.000 0.000 0.316 97 A C -0.106 177.426 177.584 -0.087 0.000 1.279 97 A CA -0.417 51.541 52.037 -0.132 0.000 0.876 97 A CB 0.386 19.388 19.000 0.004 0.000 1.170 97 A HN 0.653 nan 8.150 nan 0.000 0.520 98 T N 2.663 117.185 114.554 -0.053 0.000 2.729 98 T HA 0.434 4.784 4.350 0.000 0.000 0.296 98 T C -0.102 174.595 174.700 -0.005 0.000 0.928 98 T CA 0.009 62.083 62.100 -0.044 0.000 1.045 98 T CB 0.391 69.232 68.868 -0.045 0.000 0.902 98 T HN 0.391 nan 8.240 nan 0.000 0.500 99 V N 5.738 125.650 119.914 -0.005 0.000 2.409 99 V HA 0.442 4.562 4.120 0.000 0.000 0.291 99 V C 0.030 176.137 176.094 0.021 0.000 1.020 99 V CA -0.882 61.430 62.300 0.019 0.000 0.848 99 V CB 1.394 33.227 31.823 0.017 0.000 0.990 99 V HN 0.799 nan 8.190 nan 0.000 0.430 100 I N 5.988 126.584 120.570 0.043 0.000 2.304 100 I HA 0.422 4.592 4.170 0.000 0.000 0.291 100 I C -0.313 175.847 176.117 0.071 0.000 1.018 100 I CA -0.092 61.237 61.300 0.049 0.000 1.260 100 I CB 0.987 39.022 38.000 0.058 0.000 1.390 100 I HN 0.429 nan 8.210 nan 0.000 0.475 101 I N 5.974 126.572 120.570 0.046 0.000 2.312 101 I HA 0.201 4.371 4.170 0.000 0.000 0.290 101 I C 0.013 176.161 176.117 0.053 0.000 1.008 101 I CA -0.527 60.798 61.300 0.042 0.000 1.226 101 I CB 1.213 39.221 38.000 0.013 0.000 1.371 101 I HN 0.525 nan 8.210 nan 0.000 0.468 102 N N 4.322 123.068 118.700 0.076 0.000 2.420 102 N HA 0.029 4.769 4.740 0.000 0.000 0.249 102 N C 0.724 176.261 175.510 0.045 0.000 1.033 102 N CA 0.111 53.212 53.050 0.084 0.000 0.944 102 N CB 1.052 39.618 38.487 0.132 0.000 1.113 102 N HN 0.377 nan 8.380 nan 0.000 0.502 103 E N 2.080 122.300 120.200 0.032 0.000 2.338 103 E HA -0.065 4.285 4.350 0.000 0.000 0.197 103 E C 1.759 178.370 176.600 0.019 0.000 1.007 103 E CA 0.945 57.356 56.400 0.019 0.000 0.849 103 E CB -0.328 29.380 29.700 0.013 0.000 0.774 103 E HN 0.745 nan 8.360 nan 0.000 0.506 104 A N 0.979 123.815 122.820 0.027 0.000 1.917 104 A HA -0.206 4.114 4.320 0.000 0.000 0.219 104 A C 2.287 179.881 177.584 0.016 0.000 1.182 104 A CA 2.393 54.444 52.037 0.023 0.000 0.633 104 A CB -0.311 18.708 19.000 0.032 0.000 0.819 104 A HN 0.538 nan 8.150 nan 0.000 0.448 105 S N -4.755 110.955 115.700 0.016 0.000 2.679 105 S HA 0.440 4.910 4.470 0.000 0.000 0.258 105 S C 1.318 175.920 174.600 0.003 0.000 1.068 105 S CA 1.085 59.289 58.200 0.007 0.000 1.115 105 S CB 0.273 63.473 63.200 0.000 0.000 1.078 105 S HN 2.041 nan 8.310 nan 0.000 0.603 106 G N 2.228 111.032 108.800 0.006 0.000 2.159 106 G HA2 -0.297 3.663 3.960 0.000 0.000 0.256 106 G HA3 -0.297 3.663 3.960 0.000 0.000 0.256 106 G C 0.233 175.132 174.900 -0.002 0.000 0.977 106 G CA 0.317 45.417 45.100 0.000 0.000 0.652 106 G HN 1.573 nan 8.290 nan 0.000 0.531 107 S N -0.504 115.196 115.700 0.001 0.000 2.573 107 S HA 0.570 5.040 4.470 0.000 0.000 0.277 107 S C 0.303 174.910 174.600 0.011 0.000 1.346 107 S CA 0.670 58.865 58.200 -0.008 0.000 1.034 107 S CB 1.110 64.292 63.200 -0.031 0.000 0.879 107 S HN 1.492 nan 8.310 nan 0.000 0.528 108 R N 0.027 120.530 120.500 0.005 0.000 2.532 108 R HA 0.670 5.010 4.340 0.000 0.000 0.297 108 R C -1.410 174.909 176.300 0.032 0.000 0.984 108 R CA -0.601 55.514 56.100 0.024 0.000 0.884 108 R CB 1.177 31.484 30.300 0.012 0.000 1.182 108 R HN 0.509 nan 8.270 nan 0.000 0.442 109 T N 4.474 119.072 114.554 0.073 0.000 2.812 109 T HA 0.526 4.876 4.350 0.000 0.000 0.282 109 T C -0.211 174.540 174.700 0.085 0.000 0.990 109 T CA -0.585 61.570 62.100 0.091 0.000 0.960 109 T CB 0.762 69.756 68.868 0.210 0.000 0.948 109 T HN 0.492 nan 8.240 nan 0.000 0.438 110 I N 3.768 124.383 120.570 0.074 0.000 2.389 110 I HA 0.363 4.533 4.170 0.000 0.000 0.288 110 I C -1.101 175.074 176.117 0.098 0.000 0.999 110 I CA -1.010 60.340 61.300 0.084 0.000 1.129 110 I CB 1.654 39.711 38.000 0.095 0.000 1.288 110 I HN 0.310 nan 8.210 nan 0.000 0.444 111 L N 7.477 128.753 121.223 0.089 0.000 2.283 111 L HA 0.319 4.659 4.340 0.000 0.000 0.281 111 L C -0.606 176.339 176.870 0.125 0.000 1.033 111 L CA -0.287 54.607 54.840 0.091 0.000 0.848 111 L CB 0.213 42.297 42.059 0.042 0.000 1.226 111 L HN 0.384 nan 8.230 nan 0.000 0.429 112 Y N 3.324 123.650 120.300 0.044 0.000 2.365 112 Y HA 0.274 4.824 4.550 0.000 0.000 0.340 112 Y C -0.781 175.195 175.900 0.127 0.000 1.016 112 Y CA -0.284 57.850 58.100 0.057 0.000 1.196 112 Y CB 0.615 39.091 38.460 0.027 0.000 1.167 112 Y HN 0.495 nan 8.280 nan 0.000 0.509 113 Y N 6.414 126.525 120.300 -0.315 0.000 2.491 113 Y HA 0.260 4.810 4.550 0.000 0.000 0.334 113 Y C -0.635 175.100 175.900 -0.274 0.000 0.969 113 Y CA -1.893 56.087 58.100 -0.201 0.000 1.241 113 Y CB 0.208 38.566 38.460 -0.171 0.000 1.105 113 Y HN 0.703 nan 8.280 nan 0.000 0.503 114 D N 4.062 124.327 120.400 -0.224 0.000 2.390 114 D HA 0.219 4.859 4.640 0.000 0.000 0.249 114 D C 0.027 175.994 176.300 -0.554 0.000 1.144 114 D CA 0.060 53.921 54.000 -0.232 0.000 0.880 114 D CB 0.699 41.522 40.800 0.037 0.000 1.182 114 D HN 0.644 nan 8.370 nan 0.000 0.451 115 R N 2.302 122.538 120.500 -0.440 0.000 2.748 115 R HA 0.186 4.526 4.340 0.000 0.000 0.395 115 R C -0.117 176.082 176.300 -0.169 0.000 1.128 115 R CA -0.278 55.588 56.100 -0.389 0.000 1.042 115 R CB 0.173 30.232 30.300 -0.402 0.000 1.392 115 R HN 0.474 nan 8.270 nan 0.000 0.582 116 S N 0.301 115.933 115.700 -0.113 0.000 3.382 116 S HA -0.166 4.304 4.470 0.000 0.000 0.293 116 S C 0.159 174.739 174.600 -0.033 0.000 1.262 116 S CA 0.459 58.627 58.200 -0.053 0.000 0.969 116 S CB -1.185 61.992 63.200 -0.040 0.000 1.136 116 S HN 0.405 nan 8.310 nan 0.000 0.635 117 L N 3.230 124.431 121.223 -0.036 0.000 2.477 117 L HA 0.348 4.688 4.340 0.000 0.000 0.272 117 L C -1.945 174.920 176.870 -0.009 0.000 1.157 117 L CA -1.129 53.701 54.840 -0.017 0.000 0.889 117 L CB -0.167 41.882 42.059 -0.017 0.000 1.158 117 L HN -0.125 nan 8.230 nan 0.000 0.473 118 P HA 0.061 nan 4.420 nan 0.000 0.265 118 P C -1.036 176.257 177.300 -0.013 0.000 1.193 118 P CA -0.075 63.022 63.100 -0.006 0.000 0.765 118 P CB 0.359 32.060 31.700 0.002 0.000 0.823 119 D N 0.947 121.336 120.400 -0.019 0.000 2.344 119 D HA 0.068 4.708 4.640 0.000 0.000 0.244 119 D C 0.141 176.419 176.300 -0.036 0.000 1.134 119 D CA -0.182 53.800 54.000 -0.031 0.000 0.930 119 D CB 0.693 41.469 40.800 -0.039 0.000 1.175 119 D HN 0.010 nan 8.370 nan 0.000 0.437 120 V N 1.900 121.783 119.914 -0.052 0.000 2.540 120 V HA 0.011 4.131 4.120 0.000 0.000 0.297 120 V C 0.974 177.041 176.094 -0.045 0.000 1.024 120 V CA 0.233 62.503 62.300 -0.050 0.000 1.105 120 V CB 0.428 32.206 31.823 -0.076 0.000 0.938 120 V HN 0.602 nan 8.190 nan 0.000 0.482 121 S N 4.581 120.268 115.700 -0.022 0.000 2.713 121 S HA 0.635 5.105 4.470 0.000 0.000 0.283 121 S C 1.220 175.816 174.600 -0.006 0.000 1.161 121 S CA -0.152 58.035 58.200 -0.021 0.000 0.999 121 S CB 1.800 64.995 63.200 -0.008 0.000 1.039 121 S HN 0.947 nan 8.310 nan 0.000 0.548 122 A N 1.039 123.847 122.820 -0.020 0.000 1.972 122 A HA -0.019 4.301 4.320 0.000 0.000 0.219 122 A C 2.286 179.900 177.584 0.050 0.000 1.169 122 A CA 2.014 54.051 52.037 0.001 0.000 0.635 122 A CB -1.812 17.169 19.000 -0.032 0.000 0.810 122 A HN 1.141 nan 8.150 nan 0.000 0.446 123 T N -2.744 111.827 114.554 0.028 0.000 2.985 123 T HA -0.081 4.269 4.350 0.000 0.000 0.266 123 T C 1.266 175.984 174.700 0.030 0.000 1.076 123 T CA 1.172 63.289 62.100 0.029 0.000 1.135 123 T CB -0.315 68.564 68.868 0.018 0.000 0.890 123 T HN 0.351 nan 8.240 nan 0.000 0.480 124 D N 0.829 121.249 120.400 0.034 0.000 2.097 124 D HA -0.037 4.603 4.640 0.000 0.000 0.195 124 D C 1.555 177.865 176.300 0.015 0.000 0.989 124 D CA 0.890 54.908 54.000 0.030 0.000 0.827 124 D CB -0.540 40.278 40.800 0.029 0.000 0.966 124 D HN 0.431 nan 8.370 nan 0.000 0.456 125 F N 1.821 121.708 119.950 -0.105 0.000 2.234 125 F HA -0.190 4.337 4.527 0.000 0.000 0.299 125 F C 2.460 178.180 175.800 -0.134 0.000 1.087 125 F CA 1.223 59.130 58.000 -0.154 0.000 1.340 125 F CB -0.077 38.827 39.000 -0.159 0.000 1.031 125 F HN -0.196 nan 8.300 nan 0.000 0.500 126 E N 0.545 120.754 120.200 0.015 0.000 2.171 126 E HA -0.254 4.096 4.350 0.000 0.000 0.197 126 E C 2.118 178.645 176.600 -0.120 0.000 0.997 126 E CA 1.751 58.132 56.400 -0.032 0.000 0.810 126 E CB -0.421 29.290 29.700 0.017 0.000 0.738 126 E HN 0.598 nan 8.360 nan 0.000 0.467 127 K N -0.453 119.874 120.400 -0.122 0.000 2.439 127 K HA 0.070 4.390 4.320 0.000 0.000 0.197 127 K C 0.608 177.115 176.600 -0.155 0.000 1.041 127 K CA 0.262 56.501 56.287 -0.080 0.000 0.970 127 K CB 0.220 32.721 32.500 0.002 0.000 0.773 127 K HN 0.166 nan 8.250 nan 0.000 0.479 128 V N 3.033 122.671 119.914 -0.460 0.000 2.446 128 V HA -0.043 4.077 4.120 0.000 0.000 0.276 128 V C 0.177 176.050 176.094 -0.369 0.000 1.030 128 V CA -0.289 61.566 62.300 -0.741 0.000 1.033 128 V CB 0.699 31.767 31.823 -1.259 0.000 0.993 128 V HN 0.156 nan 8.190 nan 0.000 0.477 129 D N 4.771 125.120 120.400 -0.084 0.000 2.344 129 D HA 0.114 4.754 4.640 0.000 0.000 0.253 129 D C 0.966 177.234 176.300 -0.053 0.000 1.255 129 D CA 0.053 54.037 54.000 -0.027 0.000 0.894 129 D CB 1.124 41.953 40.800 0.049 0.000 1.067 129 D HN 0.483 nan 8.370 nan 0.000 0.492 130 L N 2.892 124.040 121.223 -0.125 0.000 2.465 130 L HA -0.112 4.228 4.340 0.000 0.000 0.224 130 L C 2.470 179.279 176.870 -0.100 0.000 1.145 130 L CA 0.898 55.652 54.840 -0.142 0.000 0.834 130 L CB -0.489 41.245 42.059 -0.541 0.000 0.944 130 L HN 0.460 nan 8.230 nan 0.000 0.451 131 T N -3.417 111.095 114.554 -0.070 0.000 2.977 131 T HA -0.279 4.071 4.350 0.000 0.000 0.271 131 T C 1.681 176.298 174.700 -0.139 0.000 1.105 131 T CA 1.165 63.248 62.100 -0.028 0.000 1.116 131 T CB -0.159 68.712 68.868 0.005 0.000 0.878 131 T HN 0.396 nan 8.240 nan 0.000 0.509 132 Q N -0.387 119.188 119.800 -0.376 0.000 2.378 132 Q HA 0.166 4.506 4.340 0.000 0.000 0.205 132 Q C -0.708 174.892 176.000 -0.667 0.000 0.954 132 Q CA 0.410 55.813 55.803 -0.666 0.000 0.901 132 Q CB 0.138 28.201 28.738 -1.125 0.000 0.981 132 Q HN 0.606 nan 8.270 nan 0.000 0.483 133 F N -0.092 119.890 119.950 0.054 0.000 2.507 133 F HA 0.280 4.807 4.527 0.000 0.000 0.325 133 F C 0.599 176.458 175.800 0.097 0.000 1.116 133 F CA -1.080 56.969 58.000 0.082 0.000 0.930 133 F CB 1.600 40.643 39.000 0.072 0.000 1.146 133 F HN -0.129 nan 8.300 nan 0.000 0.447 134 K N 0.888 121.485 120.400 0.328 0.000 2.356 134 K HA 0.093 4.413 4.320 0.000 0.000 0.195 134 K C -0.306 176.489 176.600 0.324 0.000 1.037 134 K CA 0.320 56.766 56.287 0.265 0.000 1.014 134 K CB 1.056 33.690 32.500 0.223 0.000 0.815 134 K HN 0.527 nan 8.250 nan 0.000 0.507 135 W N 1.143 122.538 121.300 0.159 0.000 3.439 135 W HA 0.454 5.114 4.660 -0.000 0.000 0.323 135 W C -2.177 174.398 176.519 0.094 0.000 1.174 135 W CA -1.345 56.072 57.345 0.119 0.000 1.224 135 W CB 1.310 30.835 29.460 0.107 0.000 1.348 135 W HN -0.146 nan 8.180 nan 0.000 0.498 136 I N 5.122 125.850 120.570 0.263 0.000 2.418 136 I HA 0.139 4.309 4.170 0.000 0.000 0.287 136 I C -0.736 175.562 176.117 0.302 0.000 1.008 136 I CA -0.775 60.647 61.300 0.203 0.000 1.104 136 I CB 2.054 40.086 38.000 0.053 0.000 1.264 136 I HN 0.320 nan 8.210 nan 0.000 0.438 137 H N 7.086 126.299 119.070 0.239 0.000 2.511 137 H HA 0.634 5.190 4.556 0.000 0.000 0.328 137 H C -1.307 174.058 175.328 0.062 0.000 1.044 137 H CA -0.377 55.807 56.048 0.227 0.000 1.212 137 H CB 1.165 31.064 29.762 0.229 0.000 1.428 137 H HN 0.450 nan 8.280 nan 0.000 0.483 138 I N 4.608 124.861 120.570 -0.528 0.000 2.389 138 I HA 0.162 4.332 4.170 0.000 0.000 0.288 138 I C -0.131 175.691 176.117 -0.492 0.000 0.999 138 I CA -0.716 60.325 61.300 -0.432 0.000 1.129 138 I CB 1.699 39.508 38.000 -0.317 0.000 1.288 138 I HN 0.633 nan 8.210 nan 0.000 0.444 139 E N 5.932 125.934 120.200 -0.331 0.000 2.105 139 E HA 0.266 4.616 4.350 0.000 0.000 0.285 139 E C 0.274 176.777 176.600 -0.162 0.000 1.055 139 E CA -0.548 55.735 56.400 -0.195 0.000 0.843 139 E CB 1.045 30.700 29.700 -0.075 0.000 1.067 139 E HN 0.806 nan 8.360 nan 0.000 0.398 140 G N 4.062 112.771 108.800 -0.152 0.000 2.272 140 G HA2 0.023 3.984 3.960 0.000 0.000 0.247 140 G HA3 0.023 3.984 3.960 0.000 0.000 0.247 140 G C 0.261 175.092 174.900 -0.116 0.000 1.272 140 G CA 0.071 45.084 45.100 -0.145 0.000 0.921 140 G HN 0.747 nan 8.290 nan 0.000 0.495 141 R N 1.357 121.788 120.500 -0.114 0.000 5.460 141 R HA 0.048 4.388 4.340 0.000 0.000 0.090 141 R C -0.082 176.168 176.300 -0.084 0.000 0.840 141 R CA 0.188 56.233 56.100 -0.091 0.000 0.937 141 R CB 0.009 30.260 30.300 -0.082 0.000 1.335 141 R HN 0.540 nan 8.270 nan 0.000 0.387 142 N N 1.381 120.026 118.700 -0.091 0.000 2.801 142 N HA 0.248 4.988 4.740 0.000 0.000 0.235 142 N C 0.164 175.613 175.510 -0.102 0.000 1.069 142 N CA 0.395 53.396 53.050 -0.082 0.000 0.946 142 N CB 1.478 39.922 38.487 -0.072 0.000 1.212 142 N HN 0.494 nan 8.380 nan 0.000 0.509 143 A N 2.574 125.339 122.820 -0.092 0.000 1.865 143 A HA -0.245 4.075 4.320 0.000 0.000 0.217 143 A C 2.240 179.749 177.584 -0.125 0.000 1.191 143 A CA 2.223 54.195 52.037 -0.109 0.000 0.623 143 A CB -0.982 17.978 19.000 -0.068 0.000 0.826 143 A HN 0.745 nan 8.150 nan 0.000 0.444 144 S N -0.556 115.092 115.700 -0.087 0.000 2.382 144 S HA -0.165 4.306 4.470 0.000 0.000 0.228 144 S C 1.671 176.204 174.600 -0.112 0.000 1.027 144 S CA 1.400 59.550 58.200 -0.084 0.000 0.991 144 S CB -0.367 62.806 63.200 -0.046 0.000 0.823 144 S HN 0.541 nan 8.310 nan 0.000 0.469 145 E N 1.676 121.810 120.200 -0.110 0.000 2.072 145 E HA -0.076 4.274 4.350 0.000 0.000 0.190 145 E C 2.372 178.860 176.600 -0.187 0.000 0.982 145 E CA 1.126 57.454 56.400 -0.120 0.000 0.803 145 E CB -0.449 29.194 29.700 -0.096 0.000 0.755 145 E HN 0.746 nan 8.360 nan 0.000 0.453 146 Q N 0.303 119.970 119.800 -0.222 0.000 2.167 146 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 146 Q C 2.335 178.098 176.000 -0.396 0.000 0.970 146 Q CA 0.842 56.456 55.803 -0.314 0.000 0.855 146 Q CB 0.018 28.585 28.738 -0.286 0.000 0.911 146 Q HN 0.069 nan 8.270 nan 0.000 0.438 147 V N 1.351 121.028 119.914 -0.395 0.000 2.287 147 V HA -0.240 3.880 4.120 0.000 0.000 0.248 147 V C 1.199 177.045 176.094 -0.414 0.000 1.053 147 V CA 1.551 63.508 62.300 -0.572 0.000 1.027 147 V CB -0.387 31.168 31.823 -0.446 0.000 0.646 147 V HN 0.301 nan 8.190 nan 0.000 0.447 151 Q N 0.702 120.435 119.800 -0.112 0.000 2.084 151 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 151 Q C 1.997 178.014 176.000 0.030 0.000 0.978 151 Q CA 2.112 57.917 55.803 0.005 0.000 0.844 151 Q CB 0.002 28.738 28.738 -0.003 0.000 0.898 151 Q HN 0.270 nan 8.270 nan 0.000 0.426 152 R N 0.706 121.221 120.500 0.024 0.000 2.083 152 R HA -0.174 4.166 4.340 0.000 0.000 0.237 152 R C 2.085 178.462 176.300 0.128 0.000 1.137 152 R CA 1.516 57.672 56.100 0.094 0.000 0.951 152 R CB -0.231 30.170 30.300 0.168 0.000 0.851 152 R HN 0.234 nan 8.270 nan 0.000 0.434 153 I N 0.907 121.546 120.570 0.115 0.000 2.252 153 I HA -0.264 3.906 4.170 0.000 0.000 0.245 153 I C 1.788 177.977 176.117 0.121 0.000 1.102 153 I CA 1.258 62.631 61.300 0.122 0.000 1.385 153 I CB -0.389 37.654 38.000 0.071 0.000 1.064 153 I HN 0.183 nan 8.210 nan 0.000 0.414 154 D N 1.186 121.634 120.400 0.080 0.000 2.123 154 D HA -0.178 4.462 4.640 0.000 0.000 0.196 154 D C 2.277 178.622 176.300 0.076 0.000 0.992 154 D CA 1.705 55.747 54.000 0.070 0.000 0.833 154 D CB -0.186 40.655 40.800 0.068 0.000 0.954 154 D HN 0.376 nan 8.370 nan 0.000 0.455 155 A N 0.271 123.142 122.820 0.085 0.000 1.877 155 A HA -0.234 4.086 4.320 0.000 0.000 0.216 155 A C 2.034 179.672 177.584 0.089 0.000 1.186 155 A CA 2.054 54.135 52.037 0.073 0.000 0.620 155 A CB -1.009 18.032 19.000 0.068 0.000 0.822 155 A HN 0.349 nan 8.150 nan 0.000 0.443 156 H N 0.593 119.682 119.070 0.032 0.000 2.289 156 H HA -0.180 4.376 4.556 0.000 0.000 0.294 156 H C 1.955 177.296 175.328 0.021 0.000 1.095 156 H CA 2.397 58.462 56.048 0.029 0.000 1.256 156 H CB -0.115 29.672 29.762 0.042 0.000 1.359 156 H HN 0.424 nan 8.280 nan 0.000 0.487 157 N N -0.526 118.242 118.700 0.113 0.000 2.205 157 N HA -0.143 4.597 4.740 0.000 0.000 0.186 157 N C 1.988 177.483 175.510 -0.024 0.000 1.015 157 N CA 1.741 54.813 53.050 0.037 0.000 0.862 157 N CB -0.794 37.730 38.487 0.062 0.000 0.986 157 N HN 0.710 nan 8.380 nan 0.000 0.429 158 T N -1.788 112.757 114.554 -0.015 0.000 2.977 158 T HA -0.036 4.314 4.350 0.000 0.000 0.271 158 T C 1.535 176.207 174.700 -0.048 0.000 1.105 158 T CA 0.869 62.955 62.100 -0.023 0.000 1.116 158 T CB -0.038 68.825 68.868 -0.008 0.000 0.878 158 T HN 0.177 nan 8.240 nan 0.000 0.509 159 R N 0.364 120.809 120.500 -0.091 0.000 2.432 159 R HA 0.270 4.610 4.340 0.000 0.000 0.260 159 R C -0.119 176.099 176.300 -0.137 0.000 0.935 159 R CA -0.170 55.864 56.100 -0.111 0.000 1.080 159 R CB 0.393 30.616 30.300 -0.129 0.000 1.155 159 R HN 0.351 nan 8.270 nan 0.000 0.531 160 Q N 0.999 120.722 119.800 -0.127 0.000 2.312 160 Q HA 0.370 4.710 4.340 0.000 0.000 0.263 160 Q C -2.351 173.618 176.000 -0.051 0.000 0.995 160 Q CA -2.579 53.159 55.803 -0.108 0.000 0.853 160 Q CB 1.676 30.350 28.738 -0.107 0.000 1.300 160 Q HN -0.018 nan 8.270 nan 0.000 0.448 161 P HA 0.114 nan 4.420 nan 0.000 0.271 161 P C -1.976 175.319 177.300 -0.008 0.000 1.233 161 P CA -1.096 61.992 63.100 -0.018 0.000 0.789 161 P CB 0.192 31.884 31.700 -0.013 0.000 0.951 162 P HA -0.165 nan 4.420 nan 0.000 0.216 162 P C 1.426 178.733 177.300 0.011 0.000 1.150 162 P CA 1.290 64.391 63.100 0.002 0.000 0.843 162 P CB -0.194 31.506 31.700 0.000 0.000 0.787 163 E N -0.933 119.274 120.200 0.012 0.000 2.268 163 E HA -0.146 4.204 4.350 0.000 0.000 0.195 163 E C 1.732 178.352 176.600 0.033 0.000 0.995 163 E CA 0.918 57.331 56.400 0.021 0.000 0.836 163 E CB -0.796 28.913 29.700 0.017 0.000 0.763 163 E HN 0.513 nan 8.360 nan 0.000 0.491 164 Q N -0.405 119.414 119.800 0.032 0.000 2.282 164 Q HA 0.140 4.480 4.340 0.000 0.000 0.206 164 Q C 0.102 176.148 176.000 0.076 0.000 0.878 164 Q CA 0.017 55.852 55.803 0.055 0.000 0.944 164 Q CB 0.561 29.324 28.738 0.041 0.000 1.100 164 Q HN 0.033 nan 8.270 nan 0.000 0.509 165 K N 0.908 121.338 120.400 0.050 0.000 2.436 165 K HA 0.096 4.416 4.320 0.000 0.000 0.275 165 K C -0.118 176.523 176.600 0.068 0.000 0.999 165 K CA 0.235 56.554 56.287 0.054 0.000 0.980 165 K CB 0.630 33.139 32.500 0.015 0.000 0.919 165 K HN 0.182 nan 8.250 nan 0.000 0.484 166 I N 3.896 124.516 120.570 0.084 0.000 2.315 166 I HA 0.168 4.338 4.170 0.000 0.000 0.291 166 I C 0.642 176.703 176.117 -0.094 0.000 1.006 166 I CA -0.583 60.744 61.300 0.046 0.000 1.265 166 I CB 0.812 38.864 38.000 0.087 0.000 1.387 166 I HN 0.256 nan 8.210 nan 0.000 0.475 167 R N 4.377 124.743 120.500 -0.224 0.000 2.543 167 R HA 0.481 4.821 4.340 0.000 0.000 0.277 167 R C -0.885 174.925 176.300 -0.816 0.000 1.074 167 R CA -0.224 55.519 56.100 -0.596 0.000 1.076 167 R CB 1.037 30.759 30.300 -0.962 0.000 0.993 167 R HN 0.379 nan 8.270 nan 0.000 0.459 168 V N 2.140 121.649 119.914 -0.675 0.000 2.540 168 V HA 0.426 4.546 4.120 0.000 0.000 0.302 168 V C -0.506 175.442 176.094 -0.243 0.000 1.035 168 V CA -0.711 61.351 62.300 -0.396 0.000 0.873 168 V CB 1.891 33.609 31.823 -0.174 0.000 0.992 168 V HN 0.975 nan 8.190 nan 0.000 0.428 169 S N 3.396 119.160 115.700 0.107 0.000 2.542 169 S HA 0.907 5.377 4.470 0.000 0.000 0.293 169 S C -1.008 173.757 174.600 0.275 0.000 1.089 169 S CA -0.750 57.692 58.200 0.404 0.000 0.961 169 S CB 2.072 65.863 63.200 0.984 0.000 1.062 169 S HN 0.441 nan 8.310 nan 0.000 0.483 170 V N 1.594 121.651 119.914 0.238 0.000 2.735 170 V HA 0.582 4.702 4.120 0.000 0.000 0.310 170 V C -0.399 175.826 176.094 0.217 0.000 1.061 170 V CA -0.663 61.676 62.300 0.064 0.000 0.913 170 V CB 1.798 33.610 31.823 -0.019 0.000 1.005 170 V HN 1.022 nan 8.190 nan 0.000 0.428 171 E N 2.239 122.471 120.200 0.054 0.000 2.158 171 E HA 0.594 4.944 4.350 0.000 0.000 0.271 171 E C -1.735 174.858 176.600 -0.011 0.000 0.911 171 E CA -0.483 56.001 56.400 0.140 0.000 0.767 171 E CB 2.107 31.887 29.700 0.134 0.000 1.120 171 E HN 0.488 nan 8.360 nan 0.000 0.405 172 V N 5.483 125.391 119.914 -0.010 0.000 2.284 172 V HA 0.162 4.282 4.120 0.000 0.000 0.274 172 V C 0.690 176.781 176.094 -0.004 0.000 1.023 172 V CA -0.376 61.855 62.300 -0.115 0.000 0.808 172 V CB 1.013 32.608 31.823 -0.381 0.000 1.035 172 V HN 0.772 nan 8.190 nan 0.000 0.445 173 E N 2.074 122.266 120.200 -0.014 0.000 2.364 173 E HA 0.084 4.434 4.350 0.000 0.000 0.203 173 E C 0.444 177.029 176.600 -0.025 0.000 0.888 173 E CA 0.206 56.608 56.400 0.002 0.000 0.989 173 E CB 0.931 30.628 29.700 -0.005 0.000 0.985 173 E HN 0.419 nan 8.360 nan 0.000 0.499 174 K N 1.886 122.255 120.400 -0.053 0.000 2.172 174 K HA 0.311 4.631 4.320 0.000 0.000 0.276 174 K C -2.522 174.036 176.600 -0.069 0.000 1.013 174 K CA -1.589 54.650 56.287 -0.080 0.000 0.913 174 K CB 1.196 33.632 32.500 -0.106 0.000 1.055 174 K HN 0.126 nan 8.250 nan 0.000 0.461 175 P HA 0.156 nan 4.420 nan 0.000 0.226 175 P C -0.682 176.474 177.300 -0.240 0.000 1.783 175 P CA -0.230 62.735 63.100 -0.225 0.000 0.980 175 P CB -0.006 31.366 31.700 -0.547 0.000 1.967 176 R N -0.193 120.272 120.500 -0.057 0.000 2.494 176 R HA 0.206 4.546 4.340 0.000 0.000 0.305 176 R C 1.104 177.454 176.300 0.084 0.000 0.959 176 R CA -0.533 55.561 56.100 -0.011 0.000 0.864 176 R CB 0.655 30.935 30.300 -0.033 0.000 1.159 176 R HN -0.114 nan 8.270 nan 0.000 0.446 177 E N 1.773 122.038 120.200 0.108 0.000 2.160 177 E HA -0.201 4.149 4.350 0.000 0.000 0.195 177 E C 1.201 177.887 176.600 0.143 0.000 0.991 177 E CA 1.843 58.328 56.400 0.143 0.000 0.810 177 E CB -0.133 29.616 29.700 0.083 0.000 0.742 177 E HN 0.664 nan 8.360 nan 0.000 0.466 178 E N 0.118 120.368 120.200 0.083 0.000 2.338 178 E HA -0.042 4.308 4.350 0.000 0.000 0.197 178 E C 2.180 178.817 176.600 0.063 0.000 1.007 178 E CA 1.184 57.623 56.400 0.065 0.000 0.849 178 E CB -0.910 28.803 29.700 0.022 0.000 0.774 178 E HN 0.732 nan 8.360 nan 0.000 0.506 179 L N -1.310 119.946 121.223 0.054 0.000 2.313 179 L HA 0.221 4.561 4.340 0.000 0.000 0.214 179 L C 2.385 179.241 176.870 -0.024 0.000 1.119 179 L CA 0.893 55.719 54.840 -0.022 0.000 0.809 179 L CB -0.540 41.477 42.059 -0.070 0.000 0.933 179 L HN 0.207 nan 8.230 nan 0.000 0.449 180 F N 1.526 121.487 119.950 0.019 0.000 2.192 180 F HA -0.314 4.213 4.527 0.000 0.000 0.301 180 F C 2.512 178.420 175.800 0.181 0.000 1.079 180 F CA 1.714 59.820 58.000 0.177 0.000 1.303 180 F CB -0.080 39.074 39.000 0.256 0.000 1.024 180 F HN 0.152 nan 8.300 nan 0.000 0.494 181 Q N 0.042 120.005 119.800 0.272 0.000 2.181 181 Q HA -0.216 4.124 4.340 0.000 0.000 0.205 181 Q C 2.152 178.261 176.000 0.182 0.000 0.980 181 Q CA 1.744 57.687 55.803 0.233 0.000 0.862 181 Q CB -0.462 28.386 28.738 0.184 0.000 0.905 181 Q HN 0.486 nan 8.270 nan 0.000 0.429 182 L N -0.342 120.882 121.223 0.002 0.000 2.362 182 L HA -0.110 4.230 4.340 0.000 0.000 0.219 182 L C 1.820 178.668 176.870 -0.038 0.000 1.134 182 L CA 0.636 55.461 54.840 -0.024 0.000 0.807 182 L CB -0.406 41.534 42.059 -0.199 0.000 0.927 182 L HN 0.213 nan 8.230 nan 0.000 0.447 183 F N 0.412 120.322 119.950 -0.066 0.000 2.192 183 F HA -0.190 4.337 4.527 0.000 0.000 0.301 183 F C 2.318 178.030 175.800 -0.147 0.000 1.079 183 F CA 1.067 58.971 58.000 -0.159 0.000 1.303 183 F CB -0.438 38.354 39.000 -0.347 0.000 1.024 183 F HN 0.109 nan 8.300 nan 0.000 0.494 184 G N -2.058 106.756 108.800 0.023 0.000 3.181 184 G HA2 0.065 4.025 3.960 0.000 0.000 0.219 184 G HA3 0.065 4.025 3.960 0.000 0.000 0.219 184 G C -0.501 174.088 174.900 -0.519 0.000 1.182 184 G CA 0.032 44.983 45.100 -0.248 0.000 0.791 184 G HN 0.236 nan 8.290 nan 0.000 0.537 185 Y N -0.866 119.402 120.300 -0.054 0.000 2.536 185 Y HA 0.601 5.151 4.550 0.000 0.000 0.347 185 Y C 0.635 176.491 175.900 -0.073 0.000 1.000 185 Y CA -0.409 57.649 58.100 -0.070 0.000 1.051 185 Y CB 2.336 40.745 38.460 -0.087 0.000 1.259 185 Y HN 0.366 nan 8.280 nan 0.000 0.468 186 G N 1.867 110.705 108.800 0.064 0.000 2.712 186 G HA2 -0.168 3.792 3.960 0.000 0.000 0.686 186 G HA3 -0.168 3.792 3.960 0.000 0.000 0.686 186 G C -0.327 174.546 174.900 -0.045 0.000 1.181 186 G CA -0.433 44.666 45.100 -0.002 0.000 0.762 186 G HN 0.634 nan 8.290 nan 0.000 0.641 187 D N -0.989 119.355 120.400 -0.093 0.000 2.183 187 D HA 0.038 4.678 4.640 0.000 0.000 0.203 187 D C 1.198 177.466 176.300 -0.052 0.000 0.969 187 D CA 1.751 55.690 54.000 -0.102 0.000 0.842 187 D CB 0.424 41.102 40.800 -0.205 0.000 0.957 187 D HN 0.352 nan 8.370 nan 0.000 0.484 188 V N 1.448 121.350 119.914 -0.020 0.000 2.577 188 V HA 0.271 4.391 4.120 0.000 0.000 0.303 188 V C -0.250 175.834 176.094 -0.017 0.000 1.042 188 V CA -0.764 61.522 62.300 -0.023 0.000 0.872 188 V CB 2.679 34.536 31.823 0.056 0.000 0.998 188 V HN -0.261 nan 8.190 nan 0.000 0.423 189 V N 5.003 124.870 119.914 -0.078 0.000 2.409 189 V HA 0.543 4.663 4.120 0.000 0.000 0.291 189 V C -0.805 175.272 176.094 -0.028 0.000 1.020 189 V CA -0.511 61.807 62.300 0.030 0.000 0.848 189 V CB 1.546 33.432 31.823 0.105 0.000 0.990 189 V HN 0.669 nan 8.190 nan 0.000 0.430 190 F N 3.686 123.756 119.950 0.201 0.000 2.404 190 F HA 0.630 5.157 4.527 0.000 0.000 0.354 190 F C 0.118 176.032 175.800 0.190 0.000 1.122 190 F CA -0.610 57.527 58.000 0.228 0.000 1.080 190 F CB 1.881 41.034 39.000 0.255 0.000 1.131 190 F HN 0.314 nan 8.300 nan 0.000 0.471 191 V N 4.216 124.359 119.914 0.381 0.000 2.495 191 V HA 0.589 4.709 4.120 0.000 0.000 0.298 191 V C -0.291 175.959 176.094 0.261 0.000 1.031 191 V CA -0.517 61.978 62.300 0.324 0.000 0.871 191 V CB 1.826 33.900 31.823 0.418 0.000 0.988 191 V HN 0.828 nan 8.190 nan 0.000 0.432 192 S N 5.005 120.815 115.700 0.184 0.000 2.617 192 S HA 0.295 4.765 4.470 0.000 0.000 0.269 192 S C 1.069 175.685 174.600 0.026 0.000 1.292 192 S CA 0.079 58.329 58.200 0.083 0.000 1.010 192 S CB 1.225 64.441 63.200 0.028 0.000 0.944 192 S HN 0.922 nan 8.310 nan 0.000 0.536 193 K N 0.612 120.908 120.400 -0.173 0.000 2.103 193 K HA -0.195 4.125 4.320 0.000 0.000 0.207 193 K C 0.950 177.350 176.600 -0.333 0.000 1.048 193 K CA 1.875 57.829 56.287 -0.555 0.000 0.930 193 K CB -0.406 31.443 32.500 -1.084 0.000 0.716 193 K HN 0.671 nan 8.250 nan 0.000 0.444 194 D N 0.284 120.572 120.400 -0.187 0.000 2.104 194 D HA -0.144 4.496 4.640 0.000 0.000 0.194 194 D C 1.942 178.270 176.300 0.048 0.000 0.994 194 D CA 1.133 55.086 54.000 -0.079 0.000 0.830 194 D CB -0.173 40.584 40.800 -0.072 0.000 0.959 194 D HN 0.036 nan 8.370 nan 0.000 0.452 195 V N 1.174 121.147 119.914 0.098 0.000 2.307 195 V HA -0.215 3.905 4.120 0.000 0.000 0.245 195 V C 2.492 178.783 176.094 0.328 0.000 1.045 195 V CA 1.692 64.126 62.300 0.223 0.000 1.024 195 V CB -0.786 31.180 31.823 0.237 0.000 0.651 195 V HN 0.183 nan 8.190 nan 0.000 0.449 196 A N -0.094 122.921 122.820 0.325 0.000 1.892 196 A HA -0.302 4.018 4.320 0.000 0.000 0.218 196 A C 2.289 180.137 177.584 0.441 0.000 1.188 196 A CA 2.362 54.698 52.037 0.499 0.000 0.631 196 A CB -0.474 18.864 19.000 0.564 0.000 0.822 196 A HN 0.564 nan 8.150 nan 0.000 0.447 197 K N -1.808 118.762 120.400 0.283 0.000 2.025 197 K HA -0.151 4.169 4.320 0.000 0.000 0.207 197 K C 2.094 178.782 176.600 0.147 0.000 1.049 197 K CA 1.466 57.885 56.287 0.220 0.000 0.933 197 K CB -0.347 32.231 32.500 0.131 0.000 0.714 197 K HN 0.719 nan 8.250 nan 0.000 0.438 198 H N 0.918 120.032 119.070 0.073 0.000 2.426 198 H HA -0.058 4.499 4.556 0.000 0.000 0.298 198 H C 1.391 176.738 175.328 0.031 0.000 1.107 198 H CA 1.356 57.434 56.048 0.049 0.000 1.298 198 H CB -0.010 29.787 29.762 0.058 0.000 1.377 198 H HN 0.061 nan 8.280 nan 0.000 0.519 199 L N -0.821 120.411 121.223 0.015 0.000 2.591 199 L HA 0.179 4.519 4.340 0.000 0.000 0.228 199 L C 1.310 177.884 176.870 -0.494 0.000 1.133 199 L CA 0.512 55.271 54.840 -0.136 0.000 0.880 199 L CB 0.181 42.350 42.059 0.184 0.000 1.033 199 L HN 0.663 nan 8.230 nan 0.000 0.450 200 G N -0.288 108.300 108.800 -0.352 0.000 2.130 200 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 200 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 200 G C -0.183 174.497 174.900 -0.367 0.000 0.999 200 G CA -0.545 44.341 45.100 -0.356 0.000 0.686 200 G HN 0.124 nan 8.290 nan 0.000 0.515 201 F N -0.600 119.424 119.950 0.124 0.000 2.422 201 F HA 0.705 5.232 4.527 0.000 0.000 0.333 201 F C 1.134 177.051 175.800 0.194 0.000 1.095 201 F CA 0.110 58.191 58.000 0.135 0.000 1.038 201 F CB 1.552 40.648 39.000 0.159 0.000 1.156 201 F HN 0.168 nan 8.300 nan 0.000 0.483 202 Q N 0.863 120.834 119.800 0.285 0.000 2.391 202 Q HA 0.356 4.696 4.340 0.000 0.000 0.211 202 Q C 0.498 176.472 176.000 -0.043 0.000 0.908 202 Q CA 0.964 56.868 55.803 0.167 0.000 0.920 202 Q CB 0.027 28.811 28.738 0.078 0.000 1.056 202 Q HN 0.714 nan 8.270 nan 0.000 0.523 203 S N -3.488 112.021 115.700 -0.319 0.000 2.651 203 S HA 0.784 5.254 4.470 0.000 0.000 0.279 203 S C 1.167 175.186 174.600 -0.968 0.000 1.148 203 S CA -0.167 57.466 58.200 -0.945 0.000 0.837 203 S CB 1.246 64.135 63.200 -0.518 0.000 1.138 203 S HN 0.705 nan 8.310 nan 0.000 0.478 204 A N 0.721 122.903 122.820 -1.064 0.000 1.873 204 A HA -0.043 4.277 4.320 0.000 0.000 0.215 204 A C 1.986 179.465 177.584 -0.175 0.000 1.186 204 A CA 1.790 53.656 52.037 -0.286 0.000 0.616 204 A CB -1.300 17.676 19.000 -0.040 0.000 0.823 204 A HN 1.006 nan 8.150 nan 0.000 0.442 205 E N -0.185 119.890 120.200 -0.208 0.000 2.097 205 E HA -0.293 4.057 4.350 0.000 0.000 0.196 205 E C 2.000 178.500 176.600 -0.166 0.000 1.000 205 E CA 1.634 57.943 56.400 -0.150 0.000 0.804 205 E CB -0.201 29.410 29.700 -0.149 0.000 0.740 205 E HN 0.758 nan 8.360 nan 0.000 0.454 206 E N -0.277 119.813 120.200 -0.183 0.000 2.106 206 E HA -0.182 4.168 4.350 0.000 0.000 0.192 206 E C 1.947 178.329 176.600 -0.364 0.000 0.984 206 E CA 0.916 57.230 56.400 -0.143 0.000 0.806 206 E CB -0.153 29.541 29.700 -0.010 0.000 0.750 206 E HN 0.363 nan 8.360 nan 0.000 0.458 207 A N 1.092 123.666 122.820 -0.409 0.000 1.877 207 A HA -0.170 4.150 4.320 0.000 0.000 0.216 207 A C 2.192 179.417 177.584 -0.599 0.000 1.186 207 A CA 1.299 52.867 52.037 -0.781 0.000 0.620 207 A CB -0.732 18.187 19.000 -0.135 0.000 0.822 207 A HN 0.304 nan 8.150 nan 0.000 0.443 208 L N -1.060 120.003 121.223 -0.267 0.000 2.046 208 L HA -0.185 4.155 4.340 0.000 0.000 0.208 208 L C 2.882 179.671 176.870 -0.135 0.000 1.077 208 L CA 1.412 56.168 54.840 -0.141 0.000 0.747 208 L CB -0.498 41.531 42.059 -0.051 0.000 0.896 208 L HN 0.341 nan 8.230 nan 0.000 0.432 209 R N -0.085 120.315 120.500 -0.166 0.000 2.092 209 R HA -0.075 4.265 4.340 0.000 0.000 0.231 209 R C 2.344 178.579 176.300 -0.109 0.000 1.119 209 R CA 1.270 57.305 56.100 -0.107 0.000 0.970 209 R CB -0.694 29.552 30.300 -0.090 0.000 0.864 209 R HN 0.433 nan 8.270 nan 0.000 0.440 210 G N 0.812 109.456 108.800 -0.260 0.000 2.422 210 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 210 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 210 G C 1.353 176.170 174.900 -0.137 0.000 1.140 210 G CA 0.366 45.348 45.100 -0.197 0.000 0.775 210 G HN 0.157 nan 8.290 nan 0.000 0.545 211 L N -1.746 119.299 121.223 -0.298 0.000 2.609 211 L HA 0.297 4.637 4.340 0.000 0.000 0.230 211 L C 2.190 178.907 176.870 -0.255 0.000 1.087 211 L CA -0.275 54.374 54.840 -0.317 0.000 0.874 211 L CB -0.029 41.696 42.059 -0.557 0.000 1.114 211 L HN 0.126 nan 8.230 nan 0.000 0.488 212 Y N 1.669 121.848 120.300 -0.201 0.000 2.241 212 Y HA -0.243 4.307 4.550 0.000 0.000 0.286 212 Y C 2.285 178.124 175.900 -0.101 0.000 1.166 212 Y CA 1.643 59.663 58.100 -0.133 0.000 1.203 212 Y CB -0.340 38.062 38.460 -0.097 0.000 0.977 212 Y HN 0.145 nan 8.280 nan 0.000 0.529 213 G N -0.310 108.460 108.800 -0.049 0.000 2.470 213 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 213 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 213 G C 1.602 176.427 174.900 -0.124 0.000 1.121 213 G CA 0.566 45.634 45.100 -0.055 0.000 0.766 213 G HN 0.219 nan 8.290 nan 0.000 0.553 214 R N 0.177 120.562 120.500 -0.192 0.000 2.276 214 R HA 0.123 4.463 4.340 0.000 0.000 0.196 214 R C 1.253 177.432 176.300 -0.201 0.000 0.961 214 R CA 0.144 56.139 56.100 -0.174 0.000 1.024 214 R CB -1.123 29.005 30.300 -0.287 0.000 0.940 214 R HN 0.439 nan 8.270 nan 0.000 0.480 215 V N 0.268 119.981 119.914 -0.335 0.000 2.904 215 V HA 0.381 4.501 4.120 0.000 0.000 0.305 215 V C 0.653 176.570 176.094 -0.295 0.000 1.067 215 V CA -1.298 60.808 62.300 -0.323 0.000 1.044 215 V CB 1.136 32.682 31.823 -0.461 0.000 1.050 215 V HN 0.222 nan 8.190 nan 0.000 0.475 216 R N 1.651 122.012 120.500 -0.232 0.000 2.615 216 R HA 0.410 4.750 4.340 0.000 0.000 0.270 216 R C 0.100 176.307 176.300 -0.155 0.000 1.081 216 R CA -0.512 55.472 56.100 -0.194 0.000 1.154 216 R CB 0.475 30.660 30.300 -0.190 0.000 1.063 216 R HN 0.687 nan 8.270 nan 0.000 0.519 217 K N 0.988 121.326 120.400 -0.103 0.000 2.472 217 K HA 0.147 4.467 4.320 0.000 0.000 0.280 217 K C 0.944 177.527 176.600 -0.028 0.000 1.028 217 K CA 0.951 57.209 56.287 -0.049 0.000 1.045 217 K CB -0.434 32.048 32.500 -0.030 0.000 0.902 217 K HN 0.960 nan 8.250 nan 0.000 0.478 218 G N 1.388 110.200 108.800 0.021 0.000 2.194 218 G HA2 -0.180 3.780 3.960 0.000 0.000 0.236 218 G HA3 -0.180 3.780 3.960 0.000 0.000 0.236 218 G C 0.321 175.246 174.900 0.041 0.000 0.987 218 G CA 0.230 45.350 45.100 0.034 0.000 0.635 218 G HN 1.445 nan 8.290 nan 0.000 0.520 219 A N -0.184 122.645 122.820 0.015 0.000 2.351 219 A HA 0.700 5.020 4.320 0.000 0.000 0.257 219 A C 0.399 178.048 177.584 0.108 0.000 1.087 219 A CA 0.361 52.398 52.037 0.000 0.000 0.798 219 A CB 1.083 20.030 19.000 -0.089 0.000 1.033 219 A HN 1.137 nan 8.150 nan 0.000 0.488 220 V N 2.791 122.750 119.914 0.076 0.000 2.398 220 V HA 0.331 4.451 4.120 0.000 0.000 0.286 220 V C -0.362 175.772 176.094 0.066 0.000 1.026 220 V CA -0.439 61.926 62.300 0.109 0.000 0.868 220 V CB 1.075 32.930 31.823 0.053 0.000 0.982 220 V HN 0.755 nan 8.190 nan 0.000 0.443 221 L N 6.986 128.296 121.223 0.145 0.000 2.295 221 L HA 0.673 5.013 4.340 0.000 0.000 0.285 221 L C -0.414 176.496 176.870 0.068 0.000 1.035 221 L CA 0.180 55.079 54.840 0.099 0.000 0.806 221 L CB 1.651 43.807 42.059 0.163 0.000 1.214 221 L HN 0.443 nan 8.230 nan 0.000 0.426 222 V N 4.558 124.488 119.914 0.027 0.000 2.487 222 V HA 0.437 4.557 4.120 0.000 0.000 0.298 222 V C -0.658 175.571 176.094 0.225 0.000 1.028 222 V CA -0.608 61.751 62.300 0.098 0.000 0.860 222 V CB 1.527 33.331 31.823 -0.032 0.000 0.991 222 V HN 0.906 nan 8.190 nan 0.000 0.427 223 C N 5.495 124.934 119.300 0.232 0.000 2.383 223 C HA 0.847 5.307 4.460 0.000 0.000 0.330 223 C C 0.488 175.589 174.990 0.186 0.000 1.168 223 C CA -0.399 58.766 59.018 0.244 0.000 1.374 223 C CB -0.069 27.821 27.740 0.250 0.000 2.014 223 C HN 1.074 nan 8.230 nan 0.000 0.439 224 A N 5.445 128.295 122.820 0.050 0.000 2.309 224 A HA 0.670 4.990 4.320 0.000 0.000 0.298 224 A C -0.343 177.251 177.584 0.017 0.000 1.165 224 A CA -0.318 51.584 52.037 -0.225 0.000 0.821 224 A CB 0.440 18.961 19.000 -0.798 0.000 1.102 224 A HN 1.051 nan 8.150 nan 0.000 0.500 225 W N 2.768 123.978 121.300 -0.150 0.000 1.340 225 W HA 0.431 5.091 4.660 0.000 0.000 0.301 225 W C 0.490 176.976 176.519 -0.055 0.000 0.834 225 W CA 0.129 57.439 57.345 -0.058 0.000 2.473 225 W CB 0.232 29.688 29.460 -0.007 0.000 1.837 225 W HN 1.365 nan 8.180 nan 0.000 0.528 226 A N 1.614 124.422 122.820 -0.020 0.000 5.308 226 A HA -0.402 3.918 4.320 0.000 0.000 0.321 226 A C 1.625 179.240 177.584 0.051 0.000 1.849 226 A CA 2.260 54.285 52.037 -0.020 0.000 0.713 226 A CB -1.443 17.519 19.000 -0.063 0.000 1.360 226 A HN 0.519 nan 8.150 nan 0.000 0.384 227 E N 1.463 121.705 120.200 0.071 0.000 2.472 227 E HA -0.102 4.248 4.350 0.000 0.000 0.200 227 E C 1.109 177.764 176.600 0.091 0.000 1.046 227 E CA 1.500 57.939 56.400 0.065 0.000 0.871 227 E CB -0.397 29.333 29.700 0.051 0.000 0.806 227 E HN 0.820 nan 8.360 nan 0.000 0.533 228 E N 0.805 121.106 120.200 0.168 0.000 2.444 228 E HA 0.251 4.601 4.350 0.000 0.000 0.191 228 E C 0.703 177.402 176.600 0.165 0.000 1.041 228 E CA 0.121 56.621 56.400 0.167 0.000 0.883 228 E CB 0.393 30.203 29.700 0.182 0.000 1.024 228 E HN 0.423 nan 8.360 nan 0.000 0.470 229 G N 1.600 110.452 108.800 0.087 0.000 2.498 229 G HA2 -0.149 3.811 3.960 0.000 0.000 0.245 229 G HA3 -0.149 3.811 3.960 0.000 0.000 0.245 229 G C -0.355 174.538 174.900 -0.012 0.000 1.204 229 G CA -0.463 44.635 45.100 -0.002 0.000 0.933 229 G HN 0.563 nan 8.290 nan 0.000 0.574 230 A N -0.692 122.085 122.820 -0.072 0.000 2.574 230 A HA 0.746 5.066 4.320 0.000 0.000 0.297 230 A C -1.285 176.330 177.584 0.052 0.000 1.062 230 A CA 0.408 52.437 52.037 -0.013 0.000 0.686 230 A CB 1.906 20.884 19.000 -0.038 0.000 1.285 230 A HN 0.951 nan 8.150 nan 0.000 0.403 231 D N -0.450 120.034 120.400 0.141 0.000 2.477 231 D HA 0.830 5.470 4.640 0.000 0.000 0.234 231 D C -0.239 176.153 176.300 0.153 0.000 1.048 231 D CA 0.363 54.455 54.000 0.154 0.000 0.959 231 D CB 2.087 42.969 40.800 0.138 0.000 1.408 231 D HN 0.973 nan 8.370 nan 0.000 0.496 232 A N 0.507 123.397 122.820 0.116 0.000 2.587 232 A HA 0.761 5.081 4.320 0.000 0.000 0.293 232 A C -2.067 175.540 177.584 0.038 0.000 1.087 232 A CA -0.553 51.538 52.037 0.090 0.000 0.692 232 A CB 1.393 20.451 19.000 0.096 0.000 1.291 232 A HN 0.409 nan 8.150 nan 0.000 0.407 233 L N 0.868 122.106 121.223 0.025 0.000 2.470 233 L HA 0.798 5.138 4.340 0.000 0.000 0.268 233 L C 0.203 177.040 176.870 -0.056 0.000 0.964 233 L CA 0.360 55.154 54.840 -0.078 0.000 0.839 233 L CB 1.670 43.644 42.059 -0.141 0.000 1.276 233 L HN 1.160 nan 8.230 nan 0.000 0.403 234 G N 3.632 112.356 108.800 -0.126 0.000 3.016 234 G HA2 0.588 4.548 3.960 0.000 0.000 0.270 234 G HA3 0.588 4.548 3.960 0.000 0.000 0.270 234 G C -2.278 172.528 174.900 -0.157 0.000 1.352 234 G CA -0.802 44.282 45.100 -0.027 0.000 1.060 234 G HN 0.478 nan 8.290 nan 0.000 0.538 235 P HA -0.062 nan 4.420 nan 0.000 0.222 235 P C 0.833 178.097 177.300 -0.060 0.000 1.147 235 P CA 1.378 64.495 63.100 0.027 0.000 0.790 235 P CB 0.064 31.811 31.700 0.077 0.000 0.780 236 D N -0.846 119.512 120.400 -0.070 0.000 2.378 236 D HA -0.000 4.640 4.640 0.000 0.000 0.227 236 D C 1.552 177.791 176.300 -0.101 0.000 1.012 236 D CA 0.920 54.880 54.000 -0.066 0.000 0.905 236 D CB -1.101 39.674 40.800 -0.042 0.000 0.895 236 D HN 0.271 nan 8.370 nan 0.000 0.532 237 G N 0.083 108.776 108.800 -0.177 0.000 2.179 237 G HA2 -0.335 3.625 3.960 0.000 0.000 0.260 237 G HA3 -0.335 3.625 3.960 0.000 0.000 0.260 237 G C 0.053 174.862 174.900 -0.152 0.000 0.977 237 G CA 0.262 45.245 45.100 -0.196 0.000 0.641 237 G HN 0.496 nan 8.290 nan 0.000 0.533 238 K N 0.370 120.699 120.400 -0.117 0.000 2.285 238 K HA 0.522 4.842 4.320 0.000 0.000 0.286 238 K C 0.164 176.721 176.600 -0.072 0.000 1.072 238 K CA -0.740 55.501 56.287 -0.076 0.000 0.913 238 K CB 1.620 34.092 32.500 -0.046 0.000 1.067 238 K HN 0.186 nan 8.250 nan 0.000 0.479 239 L N 5.308 126.493 121.223 -0.062 0.000 2.418 239 L HA 0.144 4.484 4.340 0.000 0.000 0.274 239 L C -0.948 175.927 176.870 0.007 0.000 1.135 239 L CA 0.296 55.112 54.840 -0.039 0.000 0.870 239 L CB 0.147 42.179 42.059 -0.045 0.000 1.154 239 L HN 0.488 nan 8.230 nan 0.000 0.462 240 L N 5.250 126.495 121.223 0.036 0.000 2.331 240 L HA 0.545 4.885 4.340 0.000 0.000 0.275 240 L C -0.811 176.148 176.870 0.148 0.000 1.022 240 L CA -0.823 54.066 54.840 0.081 0.000 0.812 240 L CB 1.604 43.704 42.059 0.069 0.000 1.257 240 L HN 0.668 nan 8.230 nan 0.000 0.435 241 H N 0.726 119.828 119.070 0.053 0.000 2.894 241 H HA 0.535 5.091 4.556 0.000 0.000 0.367 241 H C -1.421 173.968 175.328 0.102 0.000 1.144 241 H CA -0.391 55.696 56.048 0.064 0.000 1.180 241 H CB 2.171 31.946 29.762 0.023 0.000 1.758 241 H HN 0.498 nan 8.280 nan 0.000 0.541 242 S N 3.155 118.552 115.700 -0.504 0.000 2.500 242 S HA 0.332 4.803 4.470 0.000 0.000 0.301 242 S C -1.004 173.178 174.600 -0.698 0.000 1.092 242 S CA -0.947 57.054 58.200 -0.332 0.000 1.030 242 S CB 0.819 64.063 63.200 0.074 0.000 1.031 242 S HN 0.707 nan 8.310 nan 0.000 0.483 243 D N 2.583 122.788 120.400 -0.325 0.000 2.368 243 D HA 0.403 5.043 4.640 0.000 0.000 0.240 243 D C 0.515 176.647 176.300 -0.280 0.000 1.169 243 D CA 0.227 54.085 54.000 -0.236 0.000 0.906 243 D CB 0.828 41.468 40.800 -0.266 0.000 1.187 243 D HN 0.724 nan 8.370 nan 0.000 0.435 244 A N 0.894 123.600 122.820 -0.191 0.000 2.386 244 A HA 0.337 4.657 4.320 0.000 0.000 0.248 244 A C -0.431 176.969 177.584 -0.306 0.000 1.082 244 A CA -0.084 51.897 52.037 -0.094 0.000 0.789 244 A CB -0.028 18.962 19.000 -0.016 0.000 1.025 244 A HN 0.471 nan 8.150 nan 0.000 0.490 245 F N 2.464 122.430 119.950 0.027 0.000 2.449 245 F HA 0.279 4.806 4.527 0.000 0.000 0.329 245 F C -1.896 173.915 175.800 0.018 0.000 1.245 245 F CA -1.694 56.320 58.000 0.024 0.000 1.193 245 F CB 1.013 40.027 39.000 0.023 0.000 1.425 245 F HN 0.364 nan 8.300 nan 0.000 0.544 246 P HA 0.135 nan 4.420 nan 0.000 0.269 246 P C -2.449 174.901 177.300 0.082 0.000 1.215 246 P CA -0.916 62.231 63.100 0.078 0.000 0.780 246 P CB 0.363 32.086 31.700 0.039 0.000 0.898 247 P HA 0.259 nan 4.420 nan 0.000 0.276 247 P C -1.933 175.389 177.300 0.038 0.000 1.261 247 P CA -1.540 61.589 63.100 0.048 0.000 0.800 247 P CB -0.651 31.067 31.700 0.031 0.000 1.066 248 P HA -0.028 nan 4.420 nan 0.000 0.216 248 P C 0.449 177.761 177.300 0.020 0.000 1.150 248 P CA 1.446 64.562 63.100 0.026 0.000 0.837 248 P CB 0.290 32.004 31.700 0.024 0.000 0.786 249 R N -0.326 120.184 120.500 0.017 0.000 2.514 249 R HA 0.404 4.744 4.340 0.000 0.000 0.296 249 R C -1.508 174.798 176.300 0.010 0.000 1.012 249 R CA -0.653 55.454 56.100 0.012 0.000 0.897 249 R CB 1.539 31.845 30.300 0.010 0.000 1.184 249 R HN -0.285 nan 8.270 nan 0.000 0.440 250 V N 6.171 126.090 119.914 0.009 0.000 2.455 250 V HA 0.077 4.197 4.120 0.000 0.000 0.273 250 V C 1.099 177.193 176.094 -0.000 0.000 1.045 250 V CA 0.037 62.340 62.300 0.005 0.000 0.976 250 V CB 1.207 33.033 31.823 0.005 0.000 0.993 250 V HN 0.774 nan 8.190 nan 0.000 0.475 251 V N 0.405 120.315 119.914 -0.007 0.000 3.572 251 V HA 0.479 4.599 4.120 0.000 0.000 0.260 251 V C 0.176 176.258 176.094 -0.020 0.000 1.324 251 V CA 0.505 62.798 62.300 -0.011 0.000 1.068 251 V CB 0.860 32.676 31.823 -0.011 0.000 0.837 251 V HN 0.779 nan 8.190 nan 0.000 0.450 252 D N 0.806 121.187 120.400 -0.032 0.000 2.419 252 D HA 0.272 4.912 4.640 0.000 0.000 0.219 252 D C 0.483 176.749 176.300 -0.057 0.000 1.349 252 D CA 0.674 54.643 54.000 -0.051 0.000 0.964 252 D CB 1.457 42.207 40.800 -0.083 0.000 1.463 252 D HN 0.274 nan 8.370 nan 0.000 0.573 253 T N 1.001 115.532 114.554 -0.038 0.000 3.086 253 T HA 0.167 4.517 4.350 0.000 0.000 0.250 253 T C 0.944 175.631 174.700 -0.021 0.000 1.074 253 T CA -0.356 61.728 62.100 -0.025 0.000 0.988 253 T CB -0.116 68.743 68.868 -0.015 0.000 0.988 253 T HN 0.232 nan 8.240 nan 0.000 0.530 254 L N 2.680 123.878 121.223 -0.041 0.000 2.534 254 L HA 0.514 4.854 4.340 0.000 0.000 0.271 254 L C 1.272 178.149 176.870 0.012 0.000 1.178 254 L CA 1.443 56.272 54.840 -0.019 0.000 0.907 254 L CB -0.466 41.571 42.059 -0.038 0.000 1.164 254 L HN 0.537 nan 8.230 nan 0.000 0.482 255 G N 3.027 111.887 108.800 0.101 0.000 2.159 255 G HA2 -0.327 3.633 3.960 0.000 0.000 0.256 255 G HA3 -0.327 3.633 3.960 0.000 0.000 0.256 255 G C 1.021 176.049 174.900 0.213 0.000 0.977 255 G CA 0.559 45.797 45.100 0.230 0.000 0.652 255 G HN 1.308 nan 8.290 nan 0.000 0.531 256 A N 0.245 123.133 122.820 0.113 0.000 1.892 256 A HA 0.175 4.495 4.320 0.000 0.000 0.218 256 A C 2.909 180.554 177.584 0.103 0.000 1.188 256 A CA 2.593 54.686 52.037 0.094 0.000 0.631 256 A CB -1.150 17.878 19.000 0.047 0.000 0.822 256 A HN 1.722 nan 8.150 nan 0.000 0.447 257 G N -0.142 108.700 108.800 0.071 0.000 2.476 257 G HA2 -0.292 3.668 3.960 0.000 0.000 0.218 257 G HA3 -0.292 3.668 3.960 0.000 0.000 0.218 257 G C 1.134 176.084 174.900 0.083 0.000 1.164 257 G CA 1.268 46.412 45.100 0.073 0.000 0.768 257 G HN 0.527 nan 8.290 nan 0.000 0.560 258 D N 0.116 120.538 120.400 0.038 0.000 2.178 258 D HA -0.060 4.580 4.640 0.000 0.000 0.202 258 D C 2.634 178.885 176.300 -0.082 0.000 0.974 258 D CA 1.347 55.318 54.000 -0.048 0.000 0.841 258 D CB -0.533 40.228 40.800 -0.065 0.000 0.953 258 D HN 0.238 nan 8.370 nan 0.000 0.478 259 T N 0.791 115.349 114.554 0.006 0.000 2.777 259 T HA -0.129 4.221 4.350 0.000 0.000 0.266 259 T C 1.681 176.361 174.700 -0.033 0.000 1.040 259 T CA 0.559 62.646 62.100 -0.021 0.000 1.141 259 T CB -0.435 68.480 68.868 0.079 0.000 0.868 259 T HN 0.128 nan 8.240 nan 0.000 0.444 260 F N 3.074 122.978 119.950 -0.077 0.000 2.069 260 F HA -0.200 4.327 4.527 0.000 0.000 0.298 260 F C 2.083 177.836 175.800 -0.078 0.000 1.113 260 F CA 1.407 59.377 58.000 -0.050 0.000 1.214 260 F CB -0.470 38.534 39.000 0.007 0.000 0.978 260 F HN 0.031 nan 8.300 nan 0.000 0.474 261 N N 0.956 119.544 118.700 -0.187 0.000 2.043 261 N HA -0.195 4.545 4.740 0.000 0.000 0.193 261 N C 2.022 177.212 175.510 -0.532 0.000 1.037 261 N CA 1.828 54.509 53.050 -0.615 0.000 0.851 261 N CB -1.146 36.873 38.487 -0.780 0.000 1.027 261 N HN 0.453 nan 8.380 nan 0.000 0.422 262 A N 0.451 123.032 122.820 -0.397 0.000 1.933 262 A HA -0.096 4.224 4.320 0.000 0.000 0.218 262 A C 2.459 179.925 177.584 -0.197 0.000 1.175 262 A CA 1.850 53.694 52.037 -0.321 0.000 0.628 262 A CB -0.691 18.141 19.000 -0.280 0.000 0.814 262 A HN 0.298 nan 8.150 nan 0.000 0.444 263 S N -0.520 115.070 115.700 -0.182 0.000 2.383 263 S HA -0.100 4.370 4.470 0.000 0.000 0.227 263 S C 1.861 176.515 174.600 0.090 0.000 1.026 263 S CA 1.279 59.468 58.200 -0.017 0.000 0.981 263 S CB -0.387 62.671 63.200 -0.237 0.000 0.818 263 S HN 0.345 nan 8.310 nan 0.000 0.472 264 V N 2.186 122.007 119.914 -0.155 0.000 2.295 264 V HA -0.160 3.960 4.120 0.000 0.000 0.246 264 V C 2.058 178.129 176.094 -0.039 0.000 1.049 264 V CA 1.522 63.774 62.300 -0.081 0.000 1.024 264 V CB -0.638 31.117 31.823 -0.112 0.000 0.648 264 V HN 0.448 nan 8.190 nan 0.000 0.447 265 I N -0.838 119.654 120.570 -0.130 0.000 2.226 265 I HA -0.270 3.901 4.170 0.000 0.000 0.245 265 I C 2.322 178.161 176.117 -0.463 0.000 1.100 265 I CA 1.911 62.925 61.300 -0.478 0.000 1.374 265 I CB -0.447 37.171 38.000 -0.637 0.000 1.057 265 I HN 0.333 nan 8.210 nan 0.000 0.413 266 F N 1.119 120.875 119.950 -0.324 0.000 2.069 266 F HA -0.290 4.237 4.527 0.000 0.000 0.298 266 F C 2.851 178.530 175.800 -0.200 0.000 1.113 266 F CA 2.009 59.874 58.000 -0.224 0.000 1.214 266 F CB -0.548 38.400 39.000 -0.086 0.000 0.978 266 F HN -0.039 nan 8.300 nan 0.000 0.474 267 S N 0.325 115.948 115.700 -0.128 0.000 2.359 267 S HA -0.182 4.288 4.470 0.000 0.000 0.224 267 S C 2.162 176.618 174.600 -0.241 0.000 1.035 267 S CA 1.723 59.759 58.200 -0.274 0.000 1.018 267 S CB -0.604 62.537 63.200 -0.097 0.000 0.876 267 S HN 0.441 nan 8.310 nan 0.000 0.448 268 L N 1.531 122.669 121.223 -0.141 0.000 2.027 268 L HA -0.084 4.256 4.340 0.000 0.000 0.206 268 L C 2.887 179.754 176.870 -0.005 0.000 1.074 268 L CA 1.530 56.358 54.840 -0.020 0.000 0.745 268 L CB -0.868 41.277 42.059 0.143 0.000 0.898 268 L HN 0.504 nan 8.230 nan 0.000 0.433 269 S N -0.833 114.778 115.700 -0.148 0.000 2.420 269 S HA -0.235 4.235 4.470 0.000 0.000 0.237 269 S C 1.782 176.290 174.600 -0.153 0.000 1.023 269 S CA 1.033 59.190 58.200 -0.072 0.000 0.991 269 S CB -0.315 62.748 63.200 -0.228 0.000 0.792 269 S HN 0.443 nan 8.310 nan 0.000 0.488 270 Q N 0.577 120.179 119.800 -0.330 0.000 2.403 270 Q HA 0.245 4.585 4.340 0.000 0.000 0.203 270 Q C 1.385 177.267 176.000 -0.196 0.000 0.932 270 Q CA 0.648 56.241 55.803 -0.349 0.000 0.945 270 Q CB 0.185 28.550 28.738 -0.621 0.000 1.045 270 Q HN 0.861 nan 8.270 nan 0.000 0.511 271 G N 1.674 110.403 108.800 -0.119 0.000 2.132 271 G HA2 -0.212 3.748 3.960 0.000 0.000 0.234 271 G HA3 -0.212 3.748 3.960 0.000 0.000 0.234 271 G C -0.013 174.847 174.900 -0.066 0.000 0.989 271 G CA -0.260 44.803 45.100 -0.062 0.000 0.676 271 G HN 0.071 nan 8.290 nan 0.000 0.522 272 R N 1.025 121.467 120.500 -0.097 0.000 2.615 272 R HA 0.573 4.913 4.340 0.000 0.000 0.270 272 R C 1.269 177.551 176.300 -0.028 0.000 1.081 272 R CA 0.037 56.091 56.100 -0.078 0.000 1.154 272 R CB 0.403 30.631 30.300 -0.120 0.000 1.063 272 R HN 0.758 nan 8.270 nan 0.000 0.519 273 S N -0.530 115.162 115.700 -0.013 0.000 2.589 273 S HA 0.032 4.502 4.470 0.000 0.000 0.265 273 S C 1.491 176.107 174.600 0.026 0.000 1.342 273 S CA -0.717 57.489 58.200 0.011 0.000 1.005 273 S CB 0.621 63.830 63.200 0.014 0.000 0.909 273 S HN 0.263 nan 8.310 nan 0.000 0.555 274 V N 1.493 121.430 119.914 0.039 0.000 2.332 274 V HA -0.193 3.927 4.120 0.000 0.000 0.248 274 V C 2.949 179.083 176.094 0.066 0.000 1.055 274 V CA 2.382 64.714 62.300 0.054 0.000 1.038 274 V CB -1.347 30.507 31.823 0.052 0.000 0.651 274 V HN 0.979 nan 8.190 nan 0.000 0.450 275 Q N 0.692 120.528 119.800 0.060 0.000 2.077 275 Q HA -0.259 4.081 4.340 0.000 0.000 0.206 275 Q C 2.069 178.120 176.000 0.085 0.000 0.989 275 Q CA 2.370 58.218 55.803 0.074 0.000 0.853 275 Q CB -0.345 28.430 28.738 0.062 0.000 0.907 275 Q HN 0.728 nan 8.270 nan 0.000 0.418 276 E N -0.486 119.752 120.200 0.063 0.000 2.077 276 E HA -0.166 4.184 4.350 0.000 0.000 0.193 276 E C 1.911 178.566 176.600 0.091 0.000 0.989 276 E CA 1.028 57.464 56.400 0.059 0.000 0.800 276 E CB -0.290 29.417 29.700 0.011 0.000 0.746 276 E HN 0.504 nan 8.360 nan 0.000 0.452 277 A N 1.107 123.972 122.820 0.075 0.000 1.902 277 A HA -0.172 4.148 4.320 0.000 0.000 0.217 277 A C 2.190 179.851 177.584 0.127 0.000 1.181 277 A CA 1.054 53.150 52.037 0.098 0.000 0.623 277 A CB -0.669 18.364 19.000 0.055 0.000 0.818 277 A HN 0.146 nan 8.150 nan 0.000 0.443 278 L N -1.051 120.257 121.223 0.140 0.000 1.989 278 L HA -0.239 4.101 4.340 0.000 0.000 0.211 278 L C 2.991 180.012 176.870 0.251 0.000 1.071 278 L CA 1.742 56.715 54.840 0.222 0.000 0.749 278 L CB -0.472 41.713 42.059 0.209 0.000 0.890 278 L HN 0.396 nan 8.230 nan 0.000 0.431 279 R N -1.029 119.592 120.500 0.201 0.000 2.070 279 R HA -0.195 4.145 4.340 0.000 0.000 0.233 279 R C 2.292 178.647 176.300 0.092 0.000 1.137 279 R CA 1.665 57.877 56.100 0.186 0.000 0.945 279 R CB -0.642 29.747 30.300 0.147 0.000 0.845 279 R HN 0.173 nan 8.270 nan 0.000 0.430 280 F N 1.333 121.263 119.950 -0.033 0.000 2.091 280 F HA -0.177 4.350 4.527 0.000 0.000 0.299 280 F C 2.231 178.012 175.800 -0.033 0.000 1.103 280 F CA 1.832 59.797 58.000 -0.058 0.000 1.228 280 F CB -0.834 38.150 39.000 -0.027 0.000 0.984 280 F HN 0.043 nan 8.300 nan 0.000 0.477 281 G N -0.770 108.004 108.800 -0.043 0.000 2.446 281 G HA2 -0.301 3.659 3.960 0.000 0.000 0.217 281 G HA3 -0.301 3.659 3.960 0.000 0.000 0.217 281 G C 1.772 176.761 174.900 0.149 0.000 1.168 281 G CA 1.159 46.160 45.100 -0.164 0.000 0.771 281 G HN 0.522 nan 8.290 nan 0.000 0.551 282 C N -0.108 119.381 119.300 0.315 0.000 2.435 282 C HA 0.022 4.482 4.460 0.000 0.000 0.279 282 C C 2.943 178.036 174.990 0.173 0.000 1.321 282 C CA 0.888 60.112 59.018 0.343 0.000 1.752 282 C CB -0.873 27.133 27.740 0.444 0.000 1.959 282 C HN 0.526 nan 8.230 nan 0.000 0.500 283 Q N 0.074 119.821 119.800 -0.089 0.000 2.046 283 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 283 Q C 2.365 178.239 176.000 -0.210 0.000 0.975 283 Q CA 1.520 57.160 55.803 -0.271 0.000 0.836 283 Q CB -0.150 28.302 28.738 -0.478 0.000 0.896 283 Q HN 0.548 nan 8.270 nan 0.000 0.428 284 V N 0.766 120.465 119.914 -0.358 0.000 2.295 284 V HA -0.275 3.845 4.120 0.000 0.000 0.246 284 V C 2.210 178.230 176.094 -0.123 0.000 1.049 284 V CA 1.794 63.896 62.300 -0.330 0.000 1.024 284 V CB -1.030 30.448 31.823 -0.574 0.000 0.648 284 V HN 0.420 nan 8.190 nan 0.000 0.447 285 A N 0.615 123.413 122.820 -0.037 0.000 1.908 285 A HA -0.113 4.207 4.320 0.000 0.000 0.218 285 A C 2.421 180.035 177.584 0.050 0.000 1.181 285 A CA 2.073 54.143 52.037 0.056 0.000 0.627 285 A CB -1.264 17.831 19.000 0.158 0.000 0.818 285 A HN 0.528 nan 8.150 nan 0.000 0.445 286 G N -0.457 108.382 108.800 0.065 0.000 2.421 286 G HA2 -0.267 3.693 3.960 0.000 0.000 0.216 286 G HA3 -0.267 3.693 3.960 0.000 0.000 0.216 286 G C 1.632 176.555 174.900 0.039 0.000 1.171 286 G CA 1.216 46.361 45.100 0.074 0.000 0.775 286 G HN 0.595 nan 8.290 nan 0.000 0.543 287 K N 0.476 120.883 120.400 0.011 0.000 2.044 287 K HA -0.189 4.131 4.320 0.000 0.000 0.210 287 K C 2.472 179.071 176.600 -0.002 0.000 1.049 287 K CA 1.655 57.940 56.287 -0.004 0.000 0.927 287 K CB -0.157 32.322 32.500 -0.034 0.000 0.713 287 K HN 0.175 nan 8.250 nan 0.000 0.443 288 K N 0.933 121.333 120.400 0.000 0.000 2.032 288 K HA -0.173 4.147 4.320 0.000 0.000 0.209 288 K C 1.958 178.547 176.600 -0.018 0.000 1.048 288 K CA 1.914 58.203 56.287 0.003 0.000 0.927 288 K CB -0.614 31.913 32.500 0.044 0.000 0.712 288 K HN 0.352 nan 8.250 nan 0.000 0.441 289 C N 0.250 119.549 119.300 -0.003 0.000 2.401 289 C HA -0.095 4.365 4.460 0.000 0.000 0.286 289 C C 2.402 177.385 174.990 -0.011 0.000 1.332 289 C CA 1.022 60.035 59.018 -0.008 0.000 1.795 289 C CB -1.436 26.309 27.740 0.010 0.000 1.922 289 C HN 0.656 nan 8.230 nan 0.000 0.520 290 G N -0.967 107.829 108.800 -0.005 0.000 3.088 290 G HA2 0.364 4.324 3.960 0.000 0.000 0.212 290 G HA3 0.364 4.324 3.960 0.000 0.000 0.212 290 G C 0.266 175.158 174.900 -0.013 0.000 1.173 290 G CA 0.191 45.289 45.100 -0.004 0.000 0.779 290 G HN 0.474 nan 8.290 nan 0.000 0.540 291 L N -0.371 120.835 121.223 -0.029 0.000 2.371 291 L HA 0.403 4.743 4.340 0.000 0.000 0.262 291 L C -0.785 176.043 176.870 -0.070 0.000 1.006 291 L CA -1.211 53.606 54.840 -0.038 0.000 0.818 291 L CB 2.261 44.300 42.059 -0.032 0.000 1.354 291 L HN -0.168 nan 8.230 nan 0.000 0.415 292 Q N 1.755 121.517 119.800 -0.063 0.000 2.295 292 Q HA 0.420 4.760 4.340 0.000 0.000 0.259 292 Q C 0.616 176.535 176.000 -0.136 0.000 0.976 292 Q CA 0.793 56.544 55.803 -0.086 0.000 0.923 292 Q CB 1.193 29.904 28.738 -0.045 0.000 1.185 292 Q HN 0.832 nan 8.270 nan 0.000 0.410 293 G N 2.178 110.818 108.800 -0.268 0.000 2.552 293 G HA2 -0.330 3.630 3.960 0.000 0.000 0.265 293 G HA3 -0.330 3.630 3.960 0.000 0.000 0.265 293 G C 0.011 174.589 174.900 -0.537 0.000 1.234 293 G CA 0.189 44.998 45.100 -0.486 0.000 0.944 293 G HN 0.529 nan 8.290 nan 0.000 0.568 294 F N 0.130 120.088 119.950 0.013 0.000 2.680 294 F HA 0.261 4.788 4.527 0.000 0.000 0.290 294 F C 2.369 178.177 175.800 0.014 0.000 1.114 294 F CA 0.768 58.761 58.000 -0.012 0.000 1.333 294 F CB -0.062 38.899 39.000 -0.066 0.000 1.091 294 F HN 0.332 nan 8.300 nan 0.000 0.606 295 D N 0.650 121.175 120.400 0.208 0.000 2.104 295 D HA -0.151 4.489 4.640 0.000 0.000 0.194 295 D C 2.402 178.761 176.300 0.098 0.000 0.994 295 D CA 1.733 55.837 54.000 0.173 0.000 0.830 295 D CB -0.732 40.156 40.800 0.147 0.000 0.959 295 D HN 0.352 nan 8.370 nan 0.000 0.452 296 G N 1.396 110.234 108.800 0.063 0.000 2.653 296 G HA2 -0.114 3.846 3.960 0.000 0.000 0.212 296 G HA3 -0.114 3.846 3.960 0.000 0.000 0.212 296 G C 1.738 176.655 174.900 0.028 0.000 1.138 296 G CA 0.446 45.568 45.100 0.036 0.000 0.782 296 G HN 0.445 nan 8.290 nan 0.000 0.535 297 I N -0.632 119.961 120.570 0.037 0.000 2.315 297 I HA 0.057 4.227 4.170 0.000 0.000 0.248 297 I C 1.194 177.311 176.117 -0.001 0.000 1.117 297 I CA 0.681 61.987 61.300 0.011 0.000 1.404 297 I CB -0.443 37.562 38.000 0.007 0.000 1.071 297 I HN 0.015 nan 8.210 nan 0.000 0.419 298 V N 0.000 119.919 119.914 0.009 0.000 2.409 298 V HA 0.000 4.120 4.120 0.000 0.000 0.244 298 V CA 0.000 62.303 62.300 0.005 0.000 1.235 298 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 298 V HN 0.000 nan 8.190 nan 0.000 0.556