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 3k1q_1_D DATA FIRST_RESID 1 DATA SEQUENCE MAQRQFFGLT YNFYGQPAPL FDLNDLQELA GCYARPWTSR FSHLAISTGS DATA SEQUENCE LPVWSARYPS VASRNIVVNT LLGAHLNPFA GGQITSHQGI TWRDPVLSSL DATA SEQUENCE APVPAIQPPP VWAVAENVLL DSNNYPTYVL NLSSMWPINQ DVHIMTMWAL DATA SEQUENCE SDQGPIYHLE VPVDPMPAAT TAALMAYTGV PIAHLAQTAY RFAGQLPQSP DATA SEQUENCE DSTMVSTIRW LSAIWFGSLT GRLNRSRTCN GFYFEFAKPA LNPDQAVLKW DATA SEQUENCE NDGARAAPPA AAQSSYIRCI SPHWQHQIVE VAGALMSQSV TAVTGLPALI DATA SEQUENCE DEATLPAWSQ GVANLTGNGQ GVVPCLDYNP VPMAAARHLQ WRQDGLITAA DATA SEQUENCE QEAQLNNDYT AYALTIERHL TAMLVANPIA AGRMPIQPFN AADFGQAGQT DATA SEQUENCE AAAVALAQAM FV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.347 176.300 0.078 0.000 1.140 1 M CA 0.000 55.424 55.300 0.206 0.000 0.988 1 M CB 0.000 32.828 32.600 0.381 0.000 1.302 2 A N 3.558 126.343 122.820 -0.059 0.000 2.897 2 A HA 0.254 4.574 4.320 -0.000 0.000 0.287 2 A C 0.225 177.502 177.584 -0.513 0.000 1.748 2 A CA 0.158 52.022 52.037 -0.288 0.000 1.397 2 A CB -1.055 17.833 19.000 -0.186 0.000 1.049 2 A HN 0.456 nan 8.150 nan 0.000 0.592 3 Q N 2.399 121.611 119.800 -0.981 0.000 2.580 3 Q HA 0.020 4.360 4.340 -0.000 0.000 0.232 3 Q C 0.854 176.135 176.000 -1.199 0.000 1.326 3 Q CA -0.489 54.678 55.803 -1.061 0.000 0.887 3 Q CB 0.268 28.388 28.738 -1.029 0.000 1.617 3 Q HN 0.596 nan 8.270 nan 0.000 0.554 4 R N 1.714 121.842 120.500 -0.620 0.000 2.234 4 R HA -0.218 4.122 4.340 -0.000 0.000 0.241 4 R C 1.299 177.378 176.300 -0.367 0.000 1.115 4 R CA 1.622 57.487 56.100 -0.391 0.000 0.913 4 R CB -0.740 29.410 30.300 -0.250 0.000 0.911 4 R HN 0.643 nan 8.270 nan 0.000 0.430 5 Q N 1.705 121.246 119.800 -0.431 0.000 3.159 5 Q HA 0.004 4.344 4.340 -0.000 0.000 0.280 5 Q C 0.015 175.469 176.000 -0.911 0.000 1.403 5 Q CA 0.342 55.801 55.803 -0.573 0.000 0.957 5 Q CB -1.181 27.277 28.738 -0.467 0.000 1.729 5 Q HN 0.359 nan 8.270 nan 0.000 0.551 6 F N 2.400 122.045 119.950 -0.509 0.000 2.743 6 F HA 0.046 4.573 4.527 -0.000 0.000 0.298 6 F C 0.071 175.769 175.800 -0.170 0.000 1.287 6 F CA -1.019 56.801 58.000 -0.299 0.000 1.436 6 F CB -0.219 38.704 39.000 -0.129 0.000 1.099 6 F HN 0.239 nan 8.300 nan 0.000 0.516 7 F N 0.307 120.383 119.950 0.209 0.000 2.557 7 F HA 0.439 4.966 4.527 -0.000 0.000 0.384 7 F C 0.458 176.362 175.800 0.173 0.000 1.057 7 F CA -1.825 56.267 58.000 0.154 0.000 1.169 7 F CB -0.840 38.211 39.000 0.085 0.000 1.070 7 F HN -0.052 nan 8.300 nan 0.000 0.554 8 G N 4.030 113.076 108.800 0.411 0.000 2.388 8 G HA2 0.570 4.530 3.960 -0.000 0.000 0.330 8 G HA3 0.570 4.530 3.960 -0.000 0.000 0.330 8 G C -1.839 173.226 174.900 0.274 0.000 1.142 8 G CA -0.939 44.359 45.100 0.329 0.000 0.908 8 G HN 0.828 nan 8.290 nan 0.000 0.473 9 L N 2.315 123.685 121.223 0.246 0.000 2.287 9 L HA 0.616 4.956 4.340 -0.000 0.000 0.287 9 L C 0.808 177.843 176.870 0.274 0.000 1.022 9 L CA -0.541 54.439 54.840 0.233 0.000 0.814 9 L CB 1.402 43.572 42.059 0.185 0.000 1.217 9 L HN 0.638 nan 8.230 nan 0.000 0.420 10 T N 2.003 116.726 114.554 0.282 0.000 2.913 10 T HA 0.298 4.648 4.350 -0.000 0.000 0.287 10 T C -0.068 174.838 174.700 0.344 0.000 1.008 10 T CA -0.311 61.967 62.100 0.298 0.000 1.067 10 T CB 0.515 69.542 68.868 0.264 0.000 0.996 10 T HN 0.409 nan 8.240 nan 0.000 0.513 11 Y N 3.290 123.694 120.300 0.175 0.000 2.411 11 Y HA 0.222 4.772 4.550 -0.000 0.000 0.333 11 Y C 1.008 176.802 175.900 -0.177 0.000 1.186 11 Y CA -1.269 56.854 58.100 0.037 0.000 1.381 11 Y CB 0.359 38.908 38.460 0.148 0.000 1.273 11 Y HN 0.887 nan 8.280 nan 0.000 0.546 12 N N 3.116 121.040 118.700 -1.293 0.000 2.371 12 N HA 0.044 4.784 4.740 -0.000 0.000 0.243 12 N C -1.471 173.384 175.510 -1.092 0.000 1.287 12 N CA -0.072 52.057 53.050 -1.534 0.000 0.911 12 N CB 0.336 37.372 38.487 -2.418 0.000 1.142 12 N HN 0.300 nan 8.380 nan 0.000 0.451 13 F N 1.295 120.863 119.950 -0.638 0.000 2.443 13 F HA 0.232 4.759 4.527 -0.000 0.000 0.335 13 F C 0.216 175.869 175.800 -0.246 0.000 1.104 13 F CA -1.291 56.476 58.000 -0.388 0.000 1.013 13 F CB -0.262 38.602 39.000 -0.228 0.000 1.136 13 F HN 0.346 nan 8.300 nan 0.000 0.470 14 Y N 2.652 122.899 120.300 -0.088 0.000 2.641 14 Y HA 0.305 4.855 4.550 -0.000 0.000 0.338 14 Y C 1.292 177.166 175.900 -0.042 0.000 1.203 14 Y CA 0.099 58.157 58.100 -0.070 0.000 1.954 14 Y CB -0.699 37.759 38.460 -0.004 0.000 1.960 14 Y HN 0.910 nan 8.280 nan 0.000 0.417 15 G N 2.915 111.742 108.800 0.045 0.000 2.356 15 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.296 15 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.296 15 G C 0.064 174.975 174.900 0.018 0.000 1.022 15 G CA 0.200 45.289 45.100 -0.018 0.000 0.961 15 G HN 0.542 nan 8.290 nan 0.000 0.510 16 Q N -1.087 118.768 119.800 0.092 0.000 2.282 16 Q HA 0.340 4.680 4.340 -0.000 0.000 0.260 16 Q C -1.417 174.666 176.000 0.138 0.000 0.964 16 Q CA -1.853 54.003 55.803 0.089 0.000 0.880 16 Q CB 1.955 30.736 28.738 0.073 0.000 1.286 16 Q HN 0.096 nan 8.270 nan 0.000 0.445 17 P HA -0.059 nan 4.420 nan 0.000 0.222 17 P C -0.722 176.592 177.300 0.022 0.000 1.147 17 P CA 0.838 63.977 63.100 0.065 0.000 0.790 17 P CB 0.405 32.115 31.700 0.017 0.000 0.780 18 A N -1.243 121.465 122.820 -0.187 0.000 2.423 18 A HA 0.647 4.967 4.320 -0.000 0.000 0.304 18 A C -2.806 173.987 177.584 -1.318 0.000 1.104 18 A CA -2.124 49.594 52.037 -0.530 0.000 0.757 18 A CB 0.585 19.348 19.000 -0.396 0.000 1.313 18 A HN -0.191 nan 8.150 nan 0.000 0.423 19 P HA 0.186 nan 4.420 nan 0.000 0.269 19 P C -0.652 175.811 177.300 -1.395 0.000 1.215 19 P CA 0.048 62.067 63.100 -1.802 0.000 0.780 19 P CB 0.230 31.403 31.700 -0.879 0.000 0.898 20 L N 4.224 125.017 121.223 -0.717 0.000 2.451 20 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 20 L C -0.179 176.572 176.870 -0.198 0.000 1.258 20 L CA 0.349 54.975 54.840 -0.357 0.000 1.132 20 L CB -1.642 40.436 42.059 0.032 0.000 1.361 20 L HN 0.392 nan 8.230 nan 0.000 0.438 21 F N -0.257 119.653 119.950 -0.067 0.000 2.822 21 F HA 0.288 4.815 4.527 -0.000 0.000 0.323 21 F C -1.049 174.695 175.800 -0.094 0.000 1.133 21 F CA -1.800 56.162 58.000 -0.064 0.000 0.941 21 F CB 0.529 39.484 39.000 -0.075 0.000 1.263 21 F HN 0.256 nan 8.300 nan 0.000 0.451 22 D N 2.051 122.546 120.400 0.159 0.000 2.387 22 D HA 0.251 4.891 4.640 -0.000 0.000 0.255 22 D C 0.800 177.197 176.300 0.161 0.000 1.081 22 D CA -0.605 53.459 54.000 0.107 0.000 0.994 22 D CB 1.945 42.759 40.800 0.024 0.000 1.127 22 D HN 0.688 nan 8.370 nan 0.000 0.513 23 L N 1.638 122.900 121.223 0.065 0.000 2.089 23 L HA -0.269 4.071 4.340 -0.000 0.000 0.213 23 L C 1.765 178.605 176.870 -0.051 0.000 1.079 23 L CA 1.955 56.793 54.840 -0.004 0.000 0.758 23 L CB -1.165 40.870 42.059 -0.039 0.000 0.891 23 L HN 0.460 nan 8.230 nan 0.000 0.433 24 N N -0.841 117.839 118.700 -0.035 0.000 2.166 24 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 24 N C 1.590 177.056 175.510 -0.074 0.000 1.019 24 N CA 1.268 54.284 53.050 -0.057 0.000 0.856 24 N CB -0.341 38.119 38.487 -0.046 0.000 0.993 24 N HN 0.391 nan 8.380 nan 0.000 0.426 25 D N 0.351 120.729 120.400 -0.036 0.000 2.117 25 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 25 D C 1.797 178.034 176.300 -0.105 0.000 0.982 25 D CA 0.481 54.464 54.000 -0.029 0.000 0.828 25 D CB -0.129 40.714 40.800 0.072 0.000 0.967 25 D HN 0.184 nan 8.370 nan 0.000 0.464 26 L N 0.429 121.545 121.223 -0.177 0.000 2.109 26 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 26 L C 2.439 179.125 176.870 -0.306 0.000 1.086 26 L CA 1.451 56.068 54.840 -0.373 0.000 0.760 26 L CB -0.567 41.185 42.059 -0.512 0.000 0.910 26 L HN 0.059 nan 8.230 nan 0.000 0.437 27 Q N -0.259 119.402 119.800 -0.231 0.000 1.985 27 Q HA -0.315 4.025 4.340 -0.000 0.000 0.207 27 Q C 1.977 177.837 176.000 -0.234 0.000 0.996 27 Q CA 2.353 58.033 55.803 -0.205 0.000 0.851 27 Q CB -0.135 28.513 28.738 -0.151 0.000 0.921 27 Q HN 0.503 nan 8.270 nan 0.000 0.418 28 E N 0.742 120.813 120.200 -0.216 0.000 2.072 28 E HA -0.242 4.108 4.350 -0.000 0.000 0.218 28 E C 2.053 178.379 176.600 -0.458 0.000 1.051 28 E CA 1.654 57.901 56.400 -0.255 0.000 0.880 28 E CB -0.829 28.752 29.700 -0.198 0.000 0.783 28 E HN 0.369 nan 8.360 nan 0.000 0.473 29 L N -0.103 120.858 121.223 -0.437 0.000 1.952 29 L HA -0.346 3.994 4.340 -0.000 0.000 0.231 29 L C 2.342 178.799 176.870 -0.688 0.000 1.088 29 L CA 2.067 56.519 54.840 -0.646 0.000 0.802 29 L CB -0.796 41.101 42.059 -0.270 0.000 0.903 29 L HN 0.236 nan 8.230 nan 0.000 0.439 30 A N -0.183 122.407 122.820 -0.383 0.000 1.834 30 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 30 A C 2.337 179.777 177.584 -0.241 0.000 1.203 30 A CA 2.069 53.933 52.037 -0.288 0.000 0.621 30 A CB -1.722 17.105 19.000 -0.287 0.000 0.841 30 A HN 0.553 nan 8.150 nan 0.000 0.446 31 G N -1.564 107.089 108.800 -0.244 0.000 2.475 31 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 31 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 31 G C 1.398 176.211 174.900 -0.146 0.000 1.125 31 G CA 1.400 46.387 45.100 -0.188 0.000 0.755 31 G HN 0.555 nan 8.290 nan 0.000 0.565 32 C N -0.755 118.410 119.300 -0.225 0.000 2.673 32 C HA 0.415 4.875 4.460 -0.000 0.000 0.264 32 C C 0.898 175.935 174.990 0.079 0.000 1.304 32 C CA -0.897 58.064 59.018 -0.095 0.000 1.727 32 C CB -0.944 26.720 27.740 -0.126 0.000 1.932 32 C HN 0.336 nan 8.230 nan 0.000 0.563 33 Y N -0.270 120.027 120.300 -0.005 0.000 2.956 33 Y HA 0.728 5.278 4.550 -0.000 0.000 0.354 33 Y C 1.100 177.000 175.900 0.000 0.000 1.248 33 Y CA -0.570 57.538 58.100 0.013 0.000 1.158 33 Y CB -0.519 37.953 38.460 0.020 0.000 1.418 33 Y HN 0.004 nan 8.280 nan 0.000 0.763 34 A N -0.627 122.320 122.820 0.211 0.000 1.766 34 A HA 0.225 4.545 4.320 -0.000 0.000 0.172 34 A C -0.057 177.588 177.584 0.101 0.000 1.489 34 A CA -0.465 51.636 52.037 0.106 0.000 1.662 34 A CB -0.244 18.814 19.000 0.097 0.000 1.591 34 A HN 0.443 nan 8.150 nan 0.000 0.804 35 R N 1.778 122.380 120.500 0.171 0.000 2.502 35 R HA 0.203 4.543 4.340 -0.000 0.000 0.292 35 R C -1.865 174.423 176.300 -0.020 0.000 0.998 35 R CA -0.505 55.721 56.100 0.210 0.000 1.056 35 R CB 0.217 30.793 30.300 0.461 0.000 0.939 35 R HN 0.362 nan 8.270 nan 0.000 0.411 36 P HA -0.123 nan 4.420 nan 0.000 0.250 36 P C -0.732 176.088 177.300 -0.800 0.000 1.239 36 P CA 0.829 63.523 63.100 -0.677 0.000 0.756 36 P CB 0.323 31.611 31.700 -0.688 0.000 1.013 37 W N -0.991 120.360 121.300 0.085 0.000 2.587 37 W HA 0.206 4.866 4.660 -0.000 0.000 0.324 37 W C 1.237 177.773 176.519 0.027 0.000 1.040 37 W CA -0.735 56.641 57.345 0.052 0.000 1.222 37 W CB 0.906 30.390 29.460 0.040 0.000 1.381 37 W HN -0.257 nan 8.180 nan 0.000 0.483 38 T N 1.025 115.684 114.554 0.175 0.000 3.118 38 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 38 T C 2.025 176.691 174.700 -0.057 0.000 1.166 38 T CA 1.896 64.023 62.100 0.044 0.000 1.073 38 T CB -0.100 68.745 68.868 -0.038 0.000 0.884 38 T HN 0.508 nan 8.240 nan 0.000 0.550 39 S N 1.544 117.242 115.700 -0.004 0.000 2.381 39 S HA -0.276 4.194 4.470 -0.000 0.000 0.230 39 S C 2.057 176.347 174.600 -0.517 0.000 1.052 39 S CA 1.385 59.466 58.200 -0.198 0.000 1.068 39 S CB -0.445 62.746 63.200 -0.015 0.000 0.918 39 S HN 0.679 nan 8.310 nan 0.000 0.448 40 R N -0.536 119.857 120.500 -0.179 0.000 2.073 40 R HA -0.004 4.336 4.340 -0.000 0.000 0.234 40 R C 2.259 178.477 176.300 -0.135 0.000 1.134 40 R CA 1.587 57.620 56.100 -0.113 0.000 0.952 40 R CB -0.657 29.502 30.300 -0.235 0.000 0.850 40 R HN 0.523 nan 8.270 nan 0.000 0.433 41 F N 1.353 121.142 119.950 -0.268 0.000 2.102 41 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 41 F C 2.519 178.193 175.800 -0.210 0.000 1.105 41 F CA 1.534 59.388 58.000 -0.242 0.000 1.239 41 F CB -0.850 38.012 39.000 -0.230 0.000 0.991 41 F HN -0.105 nan 8.300 nan 0.000 0.474 42 S N -0.733 114.572 115.700 -0.659 0.000 2.382 42 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 42 S C 2.133 176.538 174.600 -0.325 0.000 1.027 42 S CA 1.245 59.101 58.200 -0.573 0.000 0.991 42 S CB -0.605 62.385 63.200 -0.350 0.000 0.823 42 S HN 0.523 nan 8.310 nan 0.000 0.469 43 H N 0.886 119.870 119.070 -0.143 0.000 2.321 43 H HA -0.100 4.456 4.556 -0.000 0.000 0.295 43 H C 2.115 177.382 175.328 -0.101 0.000 1.102 43 H CA 1.738 57.730 56.048 -0.093 0.000 1.266 43 H CB -1.053 28.673 29.762 -0.061 0.000 1.363 43 H HN 0.343 nan 8.280 nan 0.000 0.492 44 L N 0.665 121.882 121.223 -0.010 0.000 2.012 44 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 44 L C 2.557 179.373 176.870 -0.090 0.000 1.073 44 L CA 1.949 56.770 54.840 -0.030 0.000 0.748 44 L CB -0.991 41.078 42.059 0.017 0.000 0.891 44 L HN 0.247 nan 8.230 nan 0.000 0.431 45 A N -0.158 122.527 122.820 -0.226 0.000 1.933 45 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 45 A C 2.180 179.681 177.584 -0.138 0.000 1.175 45 A CA 1.928 53.825 52.037 -0.234 0.000 0.628 45 A CB -1.085 17.644 19.000 -0.453 0.000 0.814 45 A HN 0.651 nan 8.150 nan 0.000 0.444 46 I N -1.654 118.849 120.570 -0.112 0.000 2.264 46 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 46 I C 0.997 177.093 176.117 -0.036 0.000 1.111 46 I CA 1.256 62.525 61.300 -0.050 0.000 1.382 46 I CB -1.196 36.801 38.000 -0.006 0.000 1.060 46 I HN 0.005 nan 8.210 nan 0.000 0.418 47 S N 2.522 118.203 115.700 -0.032 0.000 3.106 47 S HA 0.020 4.490 4.470 -0.000 0.000 0.304 47 S C 0.861 175.446 174.600 -0.024 0.000 1.118 47 S CA 0.678 58.862 58.200 -0.026 0.000 1.403 47 S CB -1.713 61.475 63.200 -0.019 0.000 1.555 47 S HN 0.674 nan 8.310 nan 0.000 0.584 48 T N 0.791 115.331 114.554 -0.022 0.000 2.471 48 T HA -0.034 4.316 4.350 -0.000 0.000 0.209 48 T C 1.437 176.137 174.700 0.001 0.000 1.188 48 T CA 0.181 62.274 62.100 -0.012 0.000 3.931 48 T CB -1.584 67.275 68.868 -0.015 0.000 0.557 48 T HN 0.953 nan 8.240 nan 0.000 0.199 49 G N 1.690 110.489 108.800 -0.002 0.000 2.352 49 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.295 49 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.295 49 G C 1.092 175.996 174.900 0.006 0.000 0.991 49 G CA 1.122 46.223 45.100 0.002 0.000 0.796 49 G HN 1.329 nan 8.290 nan 0.000 0.511 50 S N -0.976 114.725 115.700 0.001 0.000 2.325 50 S HA 0.222 4.692 4.470 -0.000 0.000 0.213 50 S C 1.314 175.919 174.600 0.008 0.000 1.031 50 S CA 0.852 59.058 58.200 0.009 0.000 0.984 50 S CB -0.082 63.122 63.200 0.007 0.000 0.939 50 S HN 1.020 nan 8.310 nan 0.000 0.438 51 L N 4.326 125.546 121.223 -0.005 0.000 2.540 51 L HA 0.331 4.671 4.340 -0.000 0.000 0.276 51 L C -2.538 174.312 176.870 -0.034 0.000 1.212 51 L CA -1.632 53.205 54.840 -0.006 0.000 0.893 51 L CB -0.490 41.561 42.059 -0.014 0.000 1.138 51 L HN 0.171 nan 8.230 nan 0.000 0.491 52 P HA 0.036 nan 4.420 nan 0.000 0.271 52 P C 0.665 177.817 177.300 -0.248 0.000 1.216 52 P CA -0.254 62.815 63.100 -0.052 0.000 0.771 52 P CB 0.676 32.505 31.700 0.215 0.000 0.864 53 V N -0.215 119.304 119.914 -0.659 0.000 3.217 53 V HA 0.038 4.158 4.120 -0.000 0.000 0.264 53 V C 0.363 176.057 176.094 -0.666 0.000 1.135 53 V CA 0.251 62.156 62.300 -0.658 0.000 1.142 53 V CB -0.959 30.411 31.823 -0.755 0.000 0.754 53 V HN 0.332 nan 8.190 nan 0.000 0.484 54 W N 2.419 123.696 121.300 -0.038 0.000 2.210 54 W HA 0.564 5.224 4.660 -0.000 0.000 0.330 54 W C 0.598 177.134 176.519 0.028 0.000 1.334 54 W CA 0.705 58.049 57.345 -0.002 0.000 1.227 54 W CB 0.263 29.715 29.460 -0.013 0.000 1.178 54 W HN 0.584 nan 8.180 nan 0.000 0.560 55 S N 0.026 115.809 115.700 0.139 0.000 2.643 55 S HA 0.641 5.111 4.470 -0.000 0.000 0.270 55 S C 0.367 175.012 174.600 0.075 0.000 1.166 55 S CA -0.257 58.002 58.200 0.097 0.000 0.815 55 S CB 1.317 64.535 63.200 0.030 0.000 1.139 55 S HN 0.487 nan 8.310 nan 0.000 0.472 56 A N 0.757 123.584 122.820 0.012 0.000 1.940 56 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 56 A C 2.158 179.720 177.584 -0.037 0.000 1.176 56 A CA 1.924 53.958 52.037 -0.006 0.000 0.631 56 A CB -0.762 18.221 19.000 -0.029 0.000 0.814 56 A HN 0.720 nan 8.150 nan 0.000 0.446 57 R N -1.602 118.810 120.500 -0.147 0.000 2.075 57 R HA 0.148 4.488 4.340 -0.000 0.000 0.220 57 R C -0.356 175.937 176.300 -0.012 0.000 1.118 57 R CA 0.877 56.833 56.100 -0.240 0.000 0.986 57 R CB -0.168 29.730 30.300 -0.670 0.000 0.884 57 R HN 0.577 nan 8.270 nan 0.000 0.439 58 Y N -0.048 120.265 120.300 0.022 0.000 2.712 58 Y HA 0.294 4.844 4.550 -0.000 0.000 0.328 58 Y C -1.796 174.092 175.900 -0.020 0.000 0.995 58 Y CA -2.887 55.208 58.100 -0.008 0.000 1.283 58 Y CB 1.795 40.248 38.460 -0.012 0.000 1.092 58 Y HN 0.077 nan 8.280 nan 0.000 0.519 59 P HA -0.189 nan 4.420 nan 0.000 0.215 59 P C 0.278 177.491 177.300 -0.145 0.000 1.157 59 P CA 1.566 64.734 63.100 0.114 0.000 0.874 59 P CB 0.304 32.118 31.700 0.190 0.000 0.790 60 S N -3.679 111.942 115.700 -0.131 0.000 2.732 60 S HA 0.325 4.795 4.470 -0.000 0.000 0.293 60 S C 0.968 175.463 174.600 -0.175 0.000 1.159 60 S CA -0.765 57.293 58.200 -0.237 0.000 0.847 60 S CB 0.990 64.134 63.200 -0.092 0.000 1.169 60 S HN -0.196 nan 8.310 nan 0.000 0.501 61 V N 1.258 121.083 119.914 -0.150 0.000 2.332 61 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 61 V C 3.007 179.050 176.094 -0.085 0.000 1.055 61 V CA 2.539 64.812 62.300 -0.045 0.000 1.038 61 V CB -1.677 30.139 31.823 -0.011 0.000 0.651 61 V HN 0.997 nan 8.190 nan 0.000 0.450 62 A N -0.527 122.169 122.820 -0.207 0.000 1.972 62 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 62 A C 2.457 179.753 177.584 -0.480 0.000 1.169 62 A CA 1.933 53.729 52.037 -0.402 0.000 0.635 62 A CB -0.623 17.866 19.000 -0.850 0.000 0.810 62 A HN 0.507 nan 8.150 nan 0.000 0.446 63 S N -0.560 114.922 115.700 -0.363 0.000 2.369 63 S HA -0.256 4.214 4.470 -0.000 0.000 0.225 63 S C 2.098 176.484 174.600 -0.357 0.000 1.043 63 S CA 1.750 59.780 58.200 -0.282 0.000 1.074 63 S CB -0.379 62.752 63.200 -0.114 0.000 0.962 63 S HN 0.678 nan 8.310 nan 0.000 0.433 64 R N 1.053 121.293 120.500 -0.432 0.000 2.105 64 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 64 R C 2.196 177.990 176.300 -0.844 0.000 1.135 64 R CA 1.631 57.300 56.100 -0.718 0.000 0.967 64 R CB -0.403 29.380 30.300 -0.862 0.000 0.861 64 R HN 0.464 nan 8.270 nan 0.000 0.442 65 N N -0.003 118.247 118.700 -0.749 0.000 2.036 65 N HA -0.200 4.540 4.740 -0.000 0.000 0.195 65 N C 1.687 176.877 175.510 -0.533 0.000 1.037 65 N CA 2.025 54.681 53.050 -0.656 0.000 0.855 65 N CB -0.079 38.229 38.487 -0.298 0.000 1.033 65 N HN 0.177 nan 8.380 nan 0.000 0.423 66 I N 0.058 120.274 120.570 -0.590 0.000 2.179 66 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 66 I C 2.138 178.119 176.117 -0.227 0.000 1.088 66 I CA 1.022 61.997 61.300 -0.542 0.000 1.357 66 I CB -0.385 37.146 38.000 -0.782 0.000 1.051 66 I HN 0.167 nan 8.210 nan 0.000 0.409 67 V N -2.207 117.584 119.914 -0.205 0.000 2.759 67 V HA -0.115 4.005 4.120 -0.000 0.000 0.256 67 V C 2.264 178.285 176.094 -0.122 0.000 1.080 67 V CA 1.033 63.286 62.300 -0.078 0.000 1.101 67 V CB -0.916 30.903 31.823 -0.008 0.000 0.698 67 V HN 0.223 nan 8.190 nan 0.000 0.477 68 V N 2.219 121.969 119.914 -0.274 0.000 2.261 68 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 68 V C 2.730 178.756 176.094 -0.114 0.000 1.047 68 V CA 2.805 64.957 62.300 -0.247 0.000 1.015 68 V CB -1.160 30.375 31.823 -0.480 0.000 0.642 68 V HN 0.775 nan 8.190 nan 0.000 0.446 69 N N 1.024 119.681 118.700 -0.072 0.000 2.036 69 N HA -0.238 4.502 4.740 -0.000 0.000 0.195 69 N C 1.871 177.453 175.510 0.121 0.000 1.037 69 N CA 2.963 56.050 53.050 0.062 0.000 0.855 69 N CB -0.680 37.896 38.487 0.149 0.000 1.033 69 N HN 0.613 nan 8.380 nan 0.000 0.423 70 T N -1.486 113.169 114.554 0.169 0.000 2.788 70 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 70 T C 2.038 176.874 174.700 0.227 0.000 1.044 70 T CA 1.111 63.391 62.100 0.300 0.000 1.139 70 T CB -0.736 68.373 68.868 0.402 0.000 0.867 70 T HN 0.215 nan 8.240 nan 0.000 0.454 71 L N 1.156 122.379 121.223 -0.001 0.000 1.956 71 L HA -0.001 4.339 4.340 -0.000 0.000 0.216 71 L C 2.528 179.024 176.870 -0.623 0.000 1.073 71 L CA 1.693 56.365 54.840 -0.279 0.000 0.762 71 L CB -0.803 41.128 42.059 -0.212 0.000 0.889 71 L HN 0.291 nan 8.230 nan 0.000 0.433 72 L N -0.592 120.335 121.223 -0.493 0.000 1.987 72 L HA -0.313 4.027 4.340 -0.000 0.000 0.230 72 L C 2.565 179.313 176.870 -0.203 0.000 1.089 72 L CA 1.894 56.479 54.840 -0.424 0.000 0.802 72 L CB -1.833 40.199 42.059 -0.044 0.000 0.905 72 L HN 0.542 nan 8.230 nan 0.000 0.441 73 G N -0.931 107.891 108.800 0.037 0.000 2.556 73 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 73 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 73 G C 1.647 176.692 174.900 0.241 0.000 1.156 73 G CA 1.337 46.550 45.100 0.189 0.000 0.766 73 G HN 0.572 nan 8.290 nan 0.000 0.583 74 A N 1.039 123.999 122.820 0.234 0.000 1.854 74 A HA 0.020 4.340 4.320 -0.000 0.000 0.214 74 A C 2.150 180.001 177.584 0.446 0.000 1.192 74 A CA 1.968 54.231 52.037 0.378 0.000 0.611 74 A CB -0.870 18.377 19.000 0.411 0.000 0.832 74 A HN 0.685 nan 8.150 nan 0.000 0.442 75 H N -0.166 119.100 119.070 0.327 0.000 2.545 75 H HA 0.153 4.709 4.556 -0.000 0.000 0.282 75 H C 1.389 177.066 175.328 0.580 0.000 1.020 75 H CA 1.227 57.513 56.048 0.398 0.000 1.243 75 H CB -0.805 29.085 29.762 0.213 0.000 1.377 75 H HN 0.397 nan 8.280 nan 0.000 0.581 76 L N 0.180 121.800 121.223 0.662 0.000 2.072 76 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 76 L C 2.093 179.155 176.870 0.321 0.000 1.079 76 L CA 0.965 56.103 54.840 0.496 0.000 0.752 76 L CB -0.481 41.794 42.059 0.362 0.000 0.906 76 L HN 0.329 nan 8.230 nan 0.000 0.436 77 N N -0.066 118.798 118.700 0.273 0.000 2.184 77 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 77 N C -0.949 174.603 175.510 0.069 0.000 1.011 77 N CA 1.331 54.460 53.050 0.131 0.000 0.867 77 N CB -1.256 37.301 38.487 0.116 0.000 0.993 77 N HN 0.258 nan 8.380 nan 0.000 0.433 78 P HA -0.168 nan 4.420 nan 0.000 0.212 78 P C 1.353 178.776 177.300 0.206 0.000 0.907 78 P CA 1.081 64.359 63.100 0.296 0.000 0.993 78 P CB -0.347 31.712 31.700 0.597 0.000 0.646 79 F N -0.945 119.107 119.950 0.170 0.000 2.269 79 F HA -0.145 4.382 4.527 -0.000 0.000 0.301 79 F C 2.295 178.049 175.800 -0.076 0.000 1.082 79 F CA 1.174 59.213 58.000 0.065 0.000 1.360 79 F CB -0.577 38.425 39.000 0.005 0.000 1.041 79 F HN -0.058 nan 8.300 nan 0.000 0.512 80 A N 0.178 122.924 122.820 -0.124 0.000 2.206 80 A HA 0.210 4.530 4.320 -0.000 0.000 0.211 80 A C 1.638 178.598 177.584 -1.039 0.000 1.158 80 A CA 0.628 52.153 52.037 -0.854 0.000 0.761 80 A CB -1.268 17.305 19.000 -0.712 0.000 0.801 80 A HN 0.243 nan 8.150 nan 0.000 0.473 81 G N -1.332 107.177 108.800 -0.484 0.000 2.559 81 G HA2 0.345 4.305 3.960 -0.000 0.000 0.235 81 G HA3 0.345 4.305 3.960 -0.000 0.000 0.235 81 G C 1.177 175.869 174.900 -0.347 0.000 1.266 81 G CA -0.004 44.861 45.100 -0.392 0.000 0.847 81 G HN 0.488 nan 8.290 nan 0.000 0.583 82 G N 0.911 109.574 108.800 -0.228 0.000 2.547 82 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.221 82 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.221 82 G C 1.282 176.127 174.900 -0.092 0.000 1.140 82 G CA 1.655 46.691 45.100 -0.108 0.000 0.760 82 G HN 0.813 nan 8.290 nan 0.000 0.583 83 Q N -0.984 118.741 119.800 -0.125 0.000 2.110 83 Q HA 0.542 4.882 4.340 -0.000 0.000 0.232 83 Q C 0.277 176.171 176.000 -0.177 0.000 0.810 83 Q CA -0.893 54.839 55.803 -0.118 0.000 1.083 83 Q CB -0.556 28.130 28.738 -0.088 0.000 1.193 83 Q HN 0.411 nan 8.270 nan 0.000 0.471 84 I N 1.198 121.617 120.570 -0.251 0.000 8.311 84 I HA -0.230 3.940 4.170 -0.000 0.000 0.126 84 I C -0.406 175.530 176.117 -0.302 0.000 1.853 84 I CA 1.153 62.216 61.300 -0.395 0.000 2.041 84 I CB -0.767 36.861 38.000 -0.620 0.000 3.804 84 I HN 0.546 nan 8.210 nan 0.000 0.170 85 T N 2.238 116.652 114.554 -0.234 0.000 2.940 85 T HA 0.857 5.207 4.350 -0.000 0.000 0.288 85 T C -0.224 174.506 174.700 0.051 0.000 1.033 85 T CA -0.436 61.582 62.100 -0.137 0.000 1.033 85 T CB 2.385 71.136 68.868 -0.195 0.000 1.079 85 T HN 0.821 nan 8.240 nan 0.000 0.496 86 S N 1.583 117.354 115.700 0.119 0.000 2.354 86 S HA 0.362 4.832 4.470 -0.000 0.000 0.306 86 S C -1.048 173.772 174.600 0.368 0.000 0.900 86 S CA -0.696 57.708 58.200 0.341 0.000 0.921 86 S CB -0.505 63.047 63.200 0.586 0.000 1.209 86 S HN 1.338 nan 8.310 nan 0.000 0.433 87 H N 1.720 120.950 119.070 0.267 0.000 2.849 87 H HA 0.526 5.082 4.556 -0.000 0.000 0.271 87 H C -1.269 174.171 175.328 0.186 0.000 1.461 87 H CA -0.788 55.367 56.048 0.178 0.000 1.146 87 H CB 0.656 30.505 29.762 0.145 0.000 1.834 87 H HN 0.482 nan 8.280 nan 0.000 0.555 88 Q N 1.055 120.957 119.800 0.169 0.000 2.449 88 Q HA -0.230 4.110 4.340 -0.000 0.000 0.300 88 Q C 0.803 176.767 176.000 -0.061 0.000 1.317 88 Q CA 2.151 57.972 55.803 0.030 0.000 0.836 88 Q CB -1.554 27.253 28.738 0.114 0.000 0.935 88 Q HN 1.703 nan 8.270 nan 0.000 0.305 89 G N 3.966 112.709 108.800 -0.096 0.000 5.266 89 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.262 89 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.262 89 G C 0.173 174.974 174.900 -0.164 0.000 1.359 89 G CA 0.262 45.274 45.100 -0.146 0.000 0.955 89 G HN 0.702 nan 8.290 nan 0.000 0.754 90 I N 3.108 123.569 120.570 -0.183 0.000 2.301 90 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 90 I C -0.032 176.017 176.117 -0.113 0.000 1.046 90 I CA 0.124 61.248 61.300 -0.294 0.000 1.282 90 I CB 0.402 38.099 38.000 -0.505 0.000 1.409 90 I HN 0.187 nan 8.210 nan 0.000 0.484 91 T N 5.707 120.205 114.554 -0.094 0.000 2.842 91 T HA 0.260 4.610 4.350 -0.000 0.000 0.308 91 T C -0.319 174.409 174.700 0.046 0.000 1.041 91 T CA -0.459 61.695 62.100 0.090 0.000 0.964 91 T CB 0.223 69.181 68.868 0.151 0.000 0.972 91 T HN 0.300 nan 8.240 nan 0.000 0.460 92 W N 2.920 124.226 121.300 0.009 0.000 2.385 92 W HA 0.074 4.734 4.660 -0.000 0.000 0.336 92 W C 1.255 177.670 176.519 -0.173 0.000 1.351 92 W CA -0.638 56.571 57.345 -0.226 0.000 1.295 92 W CB 0.264 29.339 29.460 -0.642 0.000 1.239 92 W HN 0.427 nan 8.180 nan 0.000 0.565 93 R N 4.834 125.417 120.500 0.138 0.000 2.540 93 R HA -0.127 4.213 4.340 -0.000 0.000 0.317 93 R C -0.098 176.253 176.300 0.086 0.000 1.233 93 R CA 0.518 56.675 56.100 0.096 0.000 1.003 93 R CB -0.594 29.747 30.300 0.068 0.000 1.034 93 R HN 0.515 nan 8.270 nan 0.000 0.483 94 D N 3.086 123.521 120.400 0.058 0.000 10.695 94 D HA -0.121 4.519 4.640 -0.000 0.000 0.330 94 D C -1.799 174.430 176.300 -0.117 0.000 3.085 94 D CA -0.257 53.759 54.000 0.027 0.000 2.708 94 D CB 0.414 41.239 40.800 0.041 0.000 1.181 94 D HN 0.279 nan 8.370 nan 0.000 0.923 95 P HA -0.227 nan 4.420 nan 0.000 0.222 95 P C 1.311 178.518 177.300 -0.155 0.000 1.157 95 P CA 2.587 65.683 63.100 -0.007 0.000 0.905 95 P CB -0.044 31.813 31.700 0.261 0.000 0.792 96 V N -3.760 116.105 119.914 -0.081 0.000 3.559 96 V HA -0.002 4.118 4.120 -0.000 0.000 0.272 96 V C 0.915 176.927 176.094 -0.137 0.000 1.235 96 V CA 0.485 62.732 62.300 -0.090 0.000 1.192 96 V CB -2.018 29.794 31.823 -0.019 0.000 0.930 96 V HN 0.084 nan 8.190 nan 0.000 0.492 97 L N 0.267 121.306 121.223 -0.307 0.000 3.843 97 L HA -0.289 4.051 4.340 -0.000 0.000 0.411 97 L C 2.011 178.872 176.870 -0.015 0.000 1.205 97 L CA 0.692 55.282 54.840 -0.417 0.000 0.945 97 L CB -2.584 39.025 42.059 -0.751 0.000 1.929 97 L HN 0.743 nan 8.230 nan 0.000 0.934 98 S N -2.495 113.298 115.700 0.154 0.000 2.383 98 S HA -0.044 4.426 4.470 -0.000 0.000 0.229 98 S C 0.828 175.652 174.600 0.372 0.000 1.030 98 S CA 1.233 59.633 58.200 0.333 0.000 1.002 98 S CB 0.283 63.606 63.200 0.205 0.000 0.829 98 S HN 0.603 nan 8.310 nan 0.000 0.467 99 S N -1.081 114.789 115.700 0.284 0.000 2.556 99 S HA 0.420 4.890 4.470 -0.000 0.000 0.280 99 S C -1.267 173.313 174.600 -0.034 0.000 1.141 99 S CA -0.890 57.403 58.200 0.154 0.000 0.883 99 S CB 0.646 63.919 63.200 0.122 0.000 1.103 99 S HN 0.382 nan 8.310 nan 0.000 0.453 100 L N 3.374 124.445 121.223 -0.253 0.000 2.652 100 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 100 L C 0.752 177.384 176.870 -0.397 0.000 1.204 100 L CA 0.089 54.582 54.840 -0.578 0.000 1.105 100 L CB -0.565 41.237 42.059 -0.428 0.000 1.393 100 L HN 0.647 nan 8.230 nan 0.000 0.452 101 A N 5.298 127.881 122.820 -0.395 0.000 2.290 101 A HA 0.648 4.968 4.320 -0.000 0.000 0.310 101 A C -2.349 175.114 177.584 -0.202 0.000 1.202 101 A CA -1.646 50.264 52.037 -0.211 0.000 0.837 101 A CB 0.401 19.337 19.000 -0.107 0.000 1.139 101 A HN 0.290 nan 8.150 nan 0.000 0.509 102 P HA 0.215 nan 4.420 nan 0.000 0.273 102 P C 0.243 177.502 177.300 -0.068 0.000 1.319 102 P CA 0.139 63.171 63.100 -0.113 0.000 0.885 102 P CB 0.130 31.770 31.700 -0.099 0.000 1.015 103 V N 2.828 122.709 119.914 -0.056 0.000 5.908 103 V HA -0.190 3.930 4.120 -0.000 0.000 0.169 103 V C -2.135 173.962 176.094 0.005 0.000 0.736 103 V CA -0.991 61.303 62.300 -0.009 0.000 0.590 103 V CB -2.008 29.808 31.823 -0.011 0.000 0.574 103 V HN 0.492 nan 8.190 nan 0.000 0.390 104 P HA 0.145 nan 4.420 nan 0.000 0.245 104 P C 1.451 178.774 177.300 0.038 0.000 1.123 104 P CA 1.354 64.476 63.100 0.037 0.000 0.853 104 P CB 0.362 32.100 31.700 0.063 0.000 0.786 105 A N 5.474 128.307 122.820 0.022 0.000 1.751 105 A HA -0.279 4.041 4.320 -0.000 0.000 0.294 105 A C 1.435 179.033 177.584 0.024 0.000 3.164 105 A CA 2.817 54.865 52.037 0.018 0.000 0.852 105 A CB -1.784 17.225 19.000 0.015 0.000 0.808 105 A HN 0.711 nan 8.150 nan 0.000 0.555 106 I N -5.117 115.473 120.570 0.034 0.000 3.816 106 I HA 0.453 4.622 4.170 -0.000 0.000 0.334 106 I C 0.467 176.614 176.117 0.050 0.000 1.551 106 I CA -0.036 61.286 61.300 0.036 0.000 1.153 106 I CB 0.722 38.741 38.000 0.031 0.000 1.197 106 I HN 0.082 nan 8.210 nan 0.000 0.439 107 Q N 0.827 120.665 119.800 0.063 0.000 2.186 107 Q HA 0.290 4.630 4.340 -0.000 0.000 0.241 107 Q C -1.394 174.674 176.000 0.113 0.000 0.849 107 Q CA -1.190 54.666 55.803 0.089 0.000 1.053 107 Q CB -0.002 28.799 28.738 0.106 0.000 1.146 107 Q HN 0.319 nan 8.270 nan 0.000 0.475 108 P HA -0.113 nan 4.420 nan 0.000 0.216 108 P C -1.496 175.936 177.300 0.220 0.000 1.150 108 P CA 1.066 64.257 63.100 0.152 0.000 0.843 108 P CB -0.612 31.140 31.700 0.087 0.000 0.787 109 P HA -0.117 nan 4.420 nan 0.000 0.218 109 P C -1.702 175.624 177.300 0.042 0.000 1.150 109 P CA 1.609 64.760 63.100 0.085 0.000 0.841 109 P CB -1.976 29.753 31.700 0.049 0.000 0.784 110 P HA 0.061 nan 4.420 nan 0.000 0.274 110 P C 0.147 177.324 177.300 -0.206 0.000 1.470 110 P CA -0.052 63.015 63.100 -0.054 0.000 1.001 110 P CB 0.196 31.877 31.700 -0.031 0.000 1.332 111 V N 1.303 121.001 119.914 -0.360 0.000 3.524 111 V HA 0.056 4.176 4.120 -0.000 0.000 0.303 111 V C -0.060 175.597 176.094 -0.728 0.000 1.130 111 V CA -0.586 61.251 62.300 -0.773 0.000 1.225 111 V CB 0.072 31.670 31.823 -0.375 0.000 1.056 111 V HN 0.484 nan 8.190 nan 0.000 0.495 112 W N 3.411 124.320 121.300 -0.651 0.000 2.318 112 W HA 0.671 5.331 4.660 -0.000 0.000 0.362 112 W C 0.608 177.105 176.519 -0.036 0.000 0.978 112 W CA -0.786 56.488 57.345 -0.119 0.000 1.509 112 W CB -0.428 29.114 29.460 0.137 0.000 1.437 112 W HN 1.016 nan 8.180 nan 0.000 0.361 113 A N 5.380 127.581 122.820 -1.033 0.000 2.526 113 A HA 0.179 4.499 4.320 -0.000 0.000 0.287 113 A C 0.588 177.501 177.584 -1.119 0.000 1.232 113 A CA 0.213 51.777 52.037 -0.788 0.000 0.900 113 A CB -0.716 18.020 19.000 -0.440 0.000 1.077 113 A HN 1.053 nan 8.150 nan 0.000 0.535 114 V N 1.752 121.141 119.914 -0.875 0.000 2.032 114 V HA 0.377 4.497 4.120 -0.000 0.000 0.233 114 V C 0.890 176.867 176.094 -0.195 0.000 1.578 114 V CA -0.195 61.767 62.300 -0.564 0.000 1.560 114 V CB -2.059 29.622 31.823 -0.236 0.000 1.556 114 V HN 1.013 nan 8.190 nan 0.000 0.496 115 A N 2.722 125.482 122.820 -0.100 0.000 2.332 115 A HA 0.547 4.867 4.320 -0.000 0.000 0.258 115 A C 0.654 178.338 177.584 0.167 0.000 1.087 115 A CA -0.307 51.753 52.037 0.039 0.000 0.802 115 A CB 0.637 19.671 19.000 0.057 0.000 1.042 115 A HN 0.777 nan 8.150 nan 0.000 0.489 116 E N 0.142 120.383 120.200 0.068 0.000 3.281 116 E HA 0.101 4.451 4.350 -0.000 0.000 0.467 116 E C -0.217 176.287 176.600 -0.159 0.000 0.293 116 E CA -0.349 56.032 56.400 -0.032 0.000 2.729 116 E CB 0.089 29.749 29.700 -0.066 0.000 2.276 116 E HN 0.850 nan 8.360 nan 0.000 0.424 117 N N 1.113 119.692 118.700 -0.201 0.000 2.546 117 N HA 0.218 4.958 4.740 -0.000 0.000 0.238 117 N C -1.382 174.168 175.510 0.066 0.000 0.984 117 N CA -0.094 52.864 53.050 -0.153 0.000 0.935 117 N CB 1.842 40.187 38.487 -0.238 0.000 1.122 117 N HN 0.027 nan 8.380 nan 0.000 0.510 118 V N 4.270 124.246 119.914 0.103 0.000 2.577 118 V HA 0.158 4.278 4.120 -0.000 0.000 0.294 118 V C -0.280 175.905 176.094 0.152 0.000 1.052 118 V CA -0.959 61.408 62.300 0.112 0.000 0.891 118 V CB 1.747 33.614 31.823 0.074 0.000 1.017 118 V HN 0.635 nan 8.190 nan 0.000 0.436 119 L N 7.146 128.456 121.223 0.145 0.000 2.573 119 L HA 0.228 4.568 4.340 -0.000 0.000 0.290 119 L C -1.060 175.912 176.870 0.170 0.000 1.247 119 L CA 1.441 56.369 54.840 0.147 0.000 0.876 119 L CB 0.392 42.493 42.059 0.071 0.000 1.123 119 L HN 0.683 nan 8.230 nan 0.000 0.505 120 L N 3.848 125.211 121.223 0.232 0.000 2.371 120 L HA 0.395 4.735 4.340 -0.000 0.000 0.262 120 L C -0.844 176.218 176.870 0.320 0.000 1.006 120 L CA -0.746 54.272 54.840 0.296 0.000 0.818 120 L CB 2.137 44.387 42.059 0.318 0.000 1.354 120 L HN 0.540 nan 8.230 nan 0.000 0.415 121 D N -0.659 119.881 120.400 0.233 0.000 2.427 121 D HA 0.247 4.887 4.640 -0.000 0.000 0.226 121 D C 0.937 177.124 176.300 -0.187 0.000 1.076 121 D CA -0.225 53.824 54.000 0.081 0.000 0.849 121 D CB 1.279 42.114 40.800 0.059 0.000 1.052 121 D HN 0.551 nan 8.370 nan 0.000 0.515 122 S N 3.256 118.988 115.700 0.052 0.000 2.359 122 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 122 S C 1.530 176.116 174.600 -0.024 0.000 1.035 122 S CA 0.960 59.239 58.200 0.131 0.000 1.018 122 S CB -0.419 62.933 63.200 0.254 0.000 0.876 122 S HN 0.531 nan 8.310 nan 0.000 0.448 123 N N 2.446 121.123 118.700 -0.038 0.000 2.519 123 N HA 0.021 4.761 4.740 -0.000 0.000 0.186 123 N C 1.110 176.498 175.510 -0.203 0.000 1.062 123 N CA 0.931 53.938 53.050 -0.073 0.000 0.910 123 N CB -0.659 37.806 38.487 -0.037 0.000 0.958 123 N HN 0.643 nan 8.380 nan 0.000 0.445 124 N N -0.836 117.591 118.700 -0.455 0.000 2.494 124 N HA -0.029 4.711 4.740 -0.000 0.000 0.182 124 N C -0.628 174.583 175.510 -0.499 0.000 1.076 124 N CA 0.089 52.844 53.050 -0.491 0.000 0.908 124 N CB 0.128 38.312 38.487 -0.505 0.000 0.967 124 N HN 0.334 nan 8.380 nan 0.000 0.449 125 Y N 1.043 121.304 120.300 -0.065 0.000 2.477 125 Y HA 0.191 4.741 4.550 -0.000 0.000 0.349 125 Y C -1.388 174.535 175.900 0.037 0.000 0.977 125 Y CA -2.553 55.486 58.100 -0.102 0.000 1.214 125 Y CB 0.838 39.050 38.460 -0.413 0.000 1.124 125 Y HN 0.033 nan 8.280 nan 0.000 0.521 126 P HA -0.286 nan 4.420 nan 0.000 0.218 126 P C 1.345 178.748 177.300 0.171 0.000 1.152 126 P CA 2.444 65.617 63.100 0.122 0.000 0.857 126 P CB -0.023 31.726 31.700 0.083 0.000 0.787 127 T N -3.574 111.130 114.554 0.250 0.000 2.708 127 T HA -0.225 4.125 4.350 -0.000 0.000 0.266 127 T C 1.843 176.704 174.700 0.268 0.000 1.037 127 T CA 1.171 63.434 62.100 0.271 0.000 1.146 127 T CB -1.523 67.570 68.868 0.375 0.000 0.865 127 T HN -0.041 nan 8.240 nan 0.000 0.435 128 Y N 1.074 121.441 120.300 0.111 0.000 2.097 128 Y HA -0.029 4.521 4.550 -0.000 0.000 0.282 128 Y C 2.917 178.838 175.900 0.035 0.000 1.152 128 Y CA 0.381 58.530 58.100 0.082 0.000 1.136 128 Y CB -1.193 37.351 38.460 0.140 0.000 0.975 128 Y HN 0.118 nan 8.280 nan 0.000 0.498 129 V N -0.160 119.872 119.914 0.196 0.000 2.626 129 V HA -0.215 3.905 4.120 -0.000 0.000 0.252 129 V C 2.097 178.221 176.094 0.050 0.000 1.067 129 V CA 1.171 63.522 62.300 0.085 0.000 1.081 129 V CB -0.582 31.271 31.823 0.049 0.000 0.686 129 V HN 0.386 nan 8.190 nan 0.000 0.468 130 L N 1.202 122.465 121.223 0.067 0.000 1.989 130 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 130 L C 1.839 178.726 176.870 0.028 0.000 1.071 130 L CA 2.263 57.131 54.840 0.046 0.000 0.749 130 L CB -0.731 41.363 42.059 0.059 0.000 0.890 130 L HN 0.611 nan 8.230 nan 0.000 0.431 131 N N 0.664 119.378 118.700 0.024 0.000 2.843 131 N HA -0.040 4.700 4.740 -0.000 0.000 0.284 131 N C 1.365 176.866 175.510 -0.015 0.000 1.274 131 N CA -0.100 52.951 53.050 0.000 0.000 1.045 131 N CB 0.304 38.783 38.487 -0.013 0.000 1.370 131 N HN 0.289 nan 8.380 nan 0.000 0.525 132 L N 1.406 122.619 121.223 -0.015 0.000 2.043 132 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 132 L C 2.593 179.435 176.870 -0.046 0.000 1.075 132 L CA 1.782 56.589 54.840 -0.054 0.000 0.752 132 L CB -0.375 41.650 42.059 -0.057 0.000 0.891 132 L HN 0.476 nan 8.230 nan 0.000 0.432 133 S N -1.775 113.944 115.700 0.032 0.000 2.351 133 S HA -0.219 4.251 4.470 -0.000 0.000 0.220 133 S C 1.958 176.627 174.600 0.115 0.000 1.035 133 S CA 1.567 59.835 58.200 0.113 0.000 1.031 133 S CB -1.029 62.220 63.200 0.082 0.000 0.928 133 S HN 0.492 nan 8.310 nan 0.000 0.433 134 S N 1.674 117.397 115.700 0.039 0.000 2.447 134 S HA 0.093 4.563 4.470 -0.000 0.000 0.233 134 S C 1.763 176.389 174.600 0.043 0.000 1.006 134 S CA 1.087 59.296 58.200 0.015 0.000 0.957 134 S CB -0.540 62.650 63.200 -0.016 0.000 0.773 134 S HN 0.498 nan 8.310 nan 0.000 0.507 135 M N 0.087 119.692 119.600 0.008 0.000 2.144 135 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 135 M C 1.814 178.138 176.300 0.040 0.000 1.067 135 M CA 1.617 56.896 55.300 -0.035 0.000 1.095 135 M CB -0.211 32.330 32.600 -0.098 0.000 1.365 135 M HN 0.482 nan 8.290 nan 0.000 0.406 136 W N 0.478 121.735 121.300 -0.071 0.000 2.335 136 W HA -0.202 4.458 4.660 -0.000 0.000 0.311 136 W C -0.933 175.542 176.519 -0.073 0.000 1.213 136 W CA 0.624 57.920 57.345 -0.081 0.000 1.274 136 W CB -1.253 28.193 29.460 -0.023 0.000 1.148 136 W HN 0.228 nan 8.180 nan 0.000 0.498 137 P HA -0.209 nan 4.420 nan 0.000 0.216 137 P C 1.491 178.918 177.300 0.212 0.000 1.153 137 P CA 1.555 64.742 63.100 0.146 0.000 0.848 137 P CB -0.277 31.436 31.700 0.022 0.000 0.787 138 I N -0.747 119.984 120.570 0.268 0.000 2.454 138 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 138 I C 1.768 177.868 176.117 -0.029 0.000 1.156 138 I CA 1.574 62.979 61.300 0.176 0.000 1.433 138 I CB -0.597 37.523 38.000 0.201 0.000 1.082 138 I HN -0.173 nan 8.210 nan 0.000 0.432 139 N N 0.218 118.833 118.700 -0.141 0.000 2.104 139 N HA -0.241 4.499 4.740 -0.000 0.000 0.190 139 N C 1.789 176.831 175.510 -0.780 0.000 1.024 139 N CA 1.559 54.326 53.050 -0.472 0.000 0.853 139 N CB -0.089 38.024 38.487 -0.623 0.000 1.008 139 N HN 0.463 nan 8.380 nan 0.000 0.424 140 Q N 0.157 119.742 119.800 -0.360 0.000 2.062 140 Q HA -0.214 4.126 4.340 -0.000 0.000 0.209 140 Q C 1.224 177.189 176.000 -0.058 0.000 0.996 140 Q CA 1.570 57.284 55.803 -0.148 0.000 0.859 140 Q CB -0.179 28.590 28.738 0.051 0.000 0.920 140 Q HN 0.463 nan 8.270 nan 0.000 0.415 141 D N 0.015 120.402 120.400 -0.022 0.000 2.104 141 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 141 D C 2.048 178.370 176.300 0.037 0.000 0.994 141 D CA 1.021 55.035 54.000 0.024 0.000 0.830 141 D CB -0.280 40.545 40.800 0.042 0.000 0.959 141 D HN 0.052 nan 8.370 nan 0.000 0.452 142 V N 1.471 121.374 119.914 -0.018 0.000 2.219 142 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 142 V C 2.124 178.328 176.094 0.185 0.000 1.053 142 V CA 2.187 64.517 62.300 0.050 0.000 1.009 142 V CB -0.887 30.924 31.823 -0.020 0.000 0.636 142 V HN 0.376 nan 8.190 nan 0.000 0.445 143 H N -0.382 118.752 119.070 0.107 0.000 2.362 143 H HA -0.245 4.311 4.556 -0.000 0.000 0.294 143 H C 2.206 177.613 175.328 0.131 0.000 1.113 143 H CA 1.907 58.030 56.048 0.125 0.000 1.253 143 H CB -0.410 29.424 29.762 0.120 0.000 1.363 143 H HN 0.398 nan 8.280 nan 0.000 0.494 144 I N 0.531 121.249 120.570 0.247 0.000 2.163 144 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 144 I C 2.836 179.080 176.117 0.213 0.000 1.085 144 I CA 1.375 62.789 61.300 0.191 0.000 1.347 144 I CB -0.342 37.739 38.000 0.134 0.000 1.044 144 I HN 0.315 nan 8.210 nan 0.000 0.408 145 M N 0.958 120.675 119.600 0.195 0.000 2.399 145 M HA -0.302 4.178 4.480 -0.000 0.000 0.263 145 M C 2.449 178.896 176.300 0.246 0.000 1.067 145 M CA 2.920 58.351 55.300 0.218 0.000 1.084 145 M CB -0.540 32.169 32.600 0.182 0.000 1.252 145 M HN 0.216 nan 8.290 nan 0.000 0.454 146 T N 1.409 116.101 114.554 0.230 0.000 2.620 146 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 146 T C 1.674 176.465 174.700 0.152 0.000 1.044 146 T CA 2.345 64.570 62.100 0.208 0.000 1.161 146 T CB -0.492 68.511 68.868 0.226 0.000 0.862 146 T HN 0.540 nan 8.240 nan 0.000 0.438 147 M N -1.154 118.544 119.600 0.162 0.000 2.659 147 M HA 0.070 4.550 4.480 -0.000 0.000 0.243 147 M C 1.854 178.196 176.300 0.071 0.000 1.111 147 M CA 0.682 56.052 55.300 0.116 0.000 1.070 147 M CB -0.135 32.553 32.600 0.147 0.000 1.525 147 M HN 0.394 nan 8.290 nan 0.000 0.517 148 W N 0.734 122.056 121.300 0.037 0.000 2.580 148 W HA 0.187 4.847 4.660 -0.000 0.000 0.287 148 W C 2.370 178.889 176.519 -0.000 0.000 1.175 148 W CA 1.191 58.516 57.345 -0.034 0.000 1.409 148 W CB -0.324 29.101 29.460 -0.059 0.000 1.101 148 W HN 0.093 nan 8.180 nan 0.000 0.558 149 A N 0.584 123.279 122.820 -0.208 0.000 1.972 149 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 149 A C 1.930 179.624 177.584 0.183 0.000 1.169 149 A CA 1.657 53.627 52.037 -0.110 0.000 0.635 149 A CB -1.205 17.950 19.000 0.258 0.000 0.810 149 A HN 0.404 nan 8.150 nan 0.000 0.446 150 L N -0.443 120.813 121.223 0.056 0.000 2.085 150 L HA -0.168 4.172 4.340 -0.000 0.000 0.218 150 L C 1.470 178.296 176.870 -0.072 0.000 1.080 150 L CA 2.290 57.115 54.840 -0.025 0.000 0.776 150 L CB -0.410 41.600 42.059 -0.082 0.000 0.891 150 L HN 0.387 nan 8.230 nan 0.000 0.437 151 S N -1.819 113.829 115.700 -0.086 0.000 2.798 151 S HA 0.280 4.750 4.470 -0.000 0.000 0.312 151 S C 0.200 174.777 174.600 -0.037 0.000 1.122 151 S CA -0.160 57.996 58.200 -0.074 0.000 0.949 151 S CB 0.931 64.036 63.200 -0.158 0.000 1.235 151 S HN 0.533 nan 8.310 nan 0.000 0.552 152 D N 0.315 120.724 120.400 0.014 0.000 2.402 152 D HA 0.190 4.830 4.640 -0.000 0.000 0.216 152 D C 0.019 176.352 176.300 0.055 0.000 1.128 152 D CA -0.109 53.934 54.000 0.070 0.000 0.833 152 D CB 0.380 41.278 40.800 0.164 0.000 0.971 152 D HN 0.146 nan 8.370 nan 0.000 0.503 153 Q N 0.645 120.393 119.800 -0.087 0.000 2.527 153 Q HA 0.553 4.893 4.340 -0.000 0.000 0.220 153 Q C 0.488 176.302 176.000 -0.309 0.000 1.014 153 Q CA -0.645 55.084 55.803 -0.123 0.000 0.978 153 Q CB 0.481 29.131 28.738 -0.147 0.000 1.245 153 Q HN 0.158 nan 8.270 nan 0.000 0.513 154 G N 0.774 109.152 108.800 -0.704 0.000 2.559 154 G HA2 0.254 4.214 3.960 -0.000 0.000 0.235 154 G HA3 0.254 4.214 3.960 -0.000 0.000 0.235 154 G C -2.309 172.182 174.900 -0.681 0.000 1.266 154 G CA -0.654 43.594 45.100 -1.419 0.000 0.847 154 G HN 0.290 nan 8.290 nan 0.000 0.583 155 P HA 0.057 nan 4.420 nan 0.000 0.267 155 P C -0.221 177.076 177.300 -0.004 0.000 1.200 155 P CA -0.026 62.996 63.100 -0.129 0.000 0.772 155 P CB 0.545 32.256 31.700 0.019 0.000 0.855 156 I N 3.690 124.284 120.570 0.040 0.000 2.294 156 I HA 0.102 4.272 4.170 -0.000 0.000 0.295 156 I C 0.052 176.341 176.117 0.288 0.000 1.098 156 I CA -0.280 61.103 61.300 0.138 0.000 1.277 156 I CB -0.652 37.398 38.000 0.083 0.000 1.434 156 I HN 0.268 nan 8.210 nan 0.000 0.498 157 Y N 7.148 127.539 120.300 0.151 0.000 2.320 157 Y HA 0.379 4.929 4.550 -0.000 0.000 0.334 157 Y C -0.298 175.643 175.900 0.068 0.000 1.055 157 Y CA -1.463 56.706 58.100 0.114 0.000 1.143 157 Y CB 0.535 39.057 38.460 0.103 0.000 1.193 157 Y HN 0.631 nan 8.280 nan 0.000 0.477 158 H N 5.675 124.823 119.070 0.131 0.000 2.487 158 H HA 0.566 5.122 4.556 -0.000 0.000 0.333 158 H C -1.475 173.652 175.328 -0.334 0.000 1.114 158 H CA -0.445 55.312 56.048 -0.485 0.000 1.310 158 H CB 0.777 30.170 29.762 -0.614 0.000 1.462 158 H HN 0.544 nan 8.280 nan 0.000 0.516 159 L N 3.501 123.939 121.223 -1.308 0.000 2.333 159 L HA 0.460 4.800 4.340 -0.000 0.000 0.269 159 L C -0.556 175.820 176.870 -0.824 0.000 1.010 159 L CA -0.772 53.523 54.840 -0.908 0.000 0.818 159 L CB 1.559 43.074 42.059 -0.905 0.000 1.306 159 L HN 0.796 nan 8.230 nan 0.000 0.430 160 E N 0.981 120.945 120.200 -0.394 0.000 2.287 160 E HA 0.471 4.821 4.350 -0.000 0.000 0.274 160 E C -1.456 175.085 176.600 -0.097 0.000 0.896 160 E CA -0.373 55.902 56.400 -0.208 0.000 0.788 160 E CB 1.796 31.436 29.700 -0.101 0.000 1.244 160 E HN 0.245 nan 8.360 nan 0.000 0.408 161 V N 3.705 123.578 119.914 -0.069 0.000 2.250 161 V HA 0.515 4.635 4.120 -0.000 0.000 0.268 161 V C -2.255 173.849 176.094 0.017 0.000 1.043 161 V CA -1.943 60.378 62.300 0.034 0.000 0.814 161 V CB 0.643 32.470 31.823 0.006 0.000 1.072 161 V HN 0.540 nan 8.190 nan 0.000 0.451 162 P HA 0.180 nan 4.420 nan 0.000 0.269 162 P C -0.246 177.136 177.300 0.137 0.000 1.252 162 P CA 0.276 63.325 63.100 -0.086 0.000 0.780 162 P CB 1.326 32.843 31.700 -0.305 0.000 0.829 163 V N 4.540 124.536 119.914 0.137 0.000 2.407 163 V HA 0.291 4.411 4.120 -0.000 0.000 0.278 163 V C 0.685 176.873 176.094 0.157 0.000 1.037 163 V CA 0.159 62.571 62.300 0.187 0.000 0.900 163 V CB 0.902 32.800 31.823 0.125 0.000 0.983 163 V HN 0.683 nan 8.190 nan 0.000 0.459 164 D N 2.312 122.829 120.400 0.195 0.000 2.487 164 D HA -0.105 4.535 4.640 -0.000 0.000 0.256 164 D C -2.059 174.331 176.300 0.150 0.000 0.617 164 D CA 0.205 54.290 54.000 0.142 0.000 1.647 164 D CB -1.887 38.969 40.800 0.093 0.000 1.351 164 D HN 0.604 nan 8.370 nan 0.000 0.720 165 P HA 0.234 nan 4.420 nan 0.000 0.268 165 P C -0.618 176.832 177.300 0.250 0.000 1.282 165 P CA 0.401 63.589 63.100 0.148 0.000 0.880 165 P CB 0.166 31.925 31.700 0.099 0.000 0.971 166 M N 5.514 125.276 119.600 0.271 0.000 2.134 166 M HA 0.406 4.886 4.480 -0.000 0.000 0.310 166 M C -2.833 173.607 176.300 0.235 0.000 0.966 166 M CA -2.453 53.073 55.300 0.376 0.000 0.922 166 M CB 1.961 34.670 32.600 0.181 0.000 1.537 166 M HN 0.016 nan 8.290 nan 0.000 0.424 167 P HA 0.292 nan 4.420 nan 0.000 0.276 167 P C 0.164 177.526 177.300 0.104 0.000 1.235 167 P CA -0.041 63.156 63.100 0.161 0.000 0.772 167 P CB 0.865 32.670 31.700 0.175 0.000 0.871 168 A N 3.646 126.503 122.820 0.062 0.000 1.933 168 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 168 A C 2.086 179.679 177.584 0.015 0.000 1.175 168 A CA 1.824 53.878 52.037 0.028 0.000 0.628 168 A CB -1.372 17.637 19.000 0.015 0.000 0.814 168 A HN 0.557 nan 8.150 nan 0.000 0.444 169 A N -0.886 121.948 122.820 0.024 0.000 1.948 169 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 169 A C 2.301 179.900 177.584 0.025 0.000 1.177 169 A CA 2.447 54.492 52.037 0.014 0.000 0.636 169 A CB -1.274 17.733 19.000 0.013 0.000 0.815 169 A HN 0.433 nan 8.150 nan 0.000 0.449 170 T N -0.097 114.498 114.554 0.068 0.000 2.674 170 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 170 T C 2.064 176.806 174.700 0.071 0.000 1.039 170 T CA 1.989 64.150 62.100 0.102 0.000 1.150 170 T CB -0.673 68.328 68.868 0.223 0.000 0.864 170 T HN 0.636 nan 8.240 nan 0.000 0.427 171 T N 2.528 117.108 114.554 0.044 0.000 2.565 171 T HA -0.236 4.114 4.350 -0.000 0.000 0.265 171 T C 2.301 176.979 174.700 -0.037 0.000 1.082 171 T CA 1.632 63.741 62.100 0.014 0.000 1.173 171 T CB -0.942 67.905 68.868 -0.035 0.000 0.864 171 T HN 0.453 nan 8.240 nan 0.000 0.425 172 A N 1.820 124.604 122.820 -0.059 0.000 1.884 172 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 172 A C 2.712 180.258 177.584 -0.063 0.000 1.197 172 A CA 2.616 54.602 52.037 -0.084 0.000 0.637 172 A CB -1.439 17.521 19.000 -0.066 0.000 0.827 172 A HN 0.609 nan 8.150 nan 0.000 0.450 173 A N -0.842 121.960 122.820 -0.031 0.000 1.845 173 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 173 A C 2.106 179.698 177.584 0.014 0.000 1.195 173 A CA 1.847 53.866 52.037 -0.029 0.000 0.616 173 A CB -0.884 18.097 19.000 -0.033 0.000 0.832 173 A HN 0.726 nan 8.150 nan 0.000 0.443 174 L N -1.213 120.051 121.223 0.069 0.000 2.137 174 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 174 L C 2.463 179.461 176.870 0.213 0.000 1.085 174 L CA 2.467 57.400 54.840 0.154 0.000 0.760 174 L CB -0.583 41.560 42.059 0.140 0.000 0.893 174 L HN 0.473 nan 8.230 nan 0.000 0.434 175 M N -1.338 118.326 119.600 0.107 0.000 2.213 175 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 175 M C 2.081 178.387 176.300 0.009 0.000 1.062 175 M CA 1.657 56.949 55.300 -0.013 0.000 1.105 175 M CB -0.341 32.067 32.600 -0.320 0.000 1.385 175 M HN 0.312 nan 8.290 nan 0.000 0.417 176 A N -1.609 121.222 122.820 0.018 0.000 2.125 176 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 176 A C 1.813 179.503 177.584 0.176 0.000 1.156 176 A CA 1.063 53.134 52.037 0.056 0.000 0.671 176 A CB -1.123 17.883 19.000 0.010 0.000 0.794 176 A HN 0.689 nan 8.150 nan 0.000 0.459 177 Y N 0.378 120.696 120.300 0.030 0.000 2.471 177 Y HA -0.003 4.547 4.550 -0.000 0.000 0.286 177 Y C 0.336 176.274 175.900 0.064 0.000 1.188 177 Y CA -0.420 57.710 58.100 0.051 0.000 1.286 177 Y CB 0.119 38.603 38.460 0.040 0.000 1.072 177 Y HN 0.170 nan 8.280 nan 0.000 0.517 178 T N 0.003 114.650 114.554 0.156 0.000 2.853 178 T HA 0.253 4.603 4.350 -0.000 0.000 0.298 178 T C 1.073 175.808 174.700 0.058 0.000 0.978 178 T CA 0.997 63.151 62.100 0.090 0.000 1.152 178 T CB 0.956 69.882 68.868 0.097 0.000 0.914 178 T HN 0.657 nan 8.240 nan 0.000 0.539 179 G N 1.909 110.721 108.800 0.019 0.000 2.352 179 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.204 179 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.204 179 G C 0.199 175.107 174.900 0.014 0.000 1.004 179 G CA -0.191 44.920 45.100 0.019 0.000 0.648 179 G HN 1.233 nan 8.290 nan 0.000 0.491 180 V N -0.417 119.497 119.914 -0.000 0.000 2.743 180 V HA 0.835 4.955 4.120 -0.000 0.000 0.301 180 V C -2.337 173.765 176.094 0.013 0.000 1.057 180 V CA -2.264 60.033 62.300 -0.006 0.000 1.006 180 V CB 1.541 33.376 31.823 0.019 0.000 1.024 180 V HN 0.077 nan 8.190 nan 0.000 0.473 181 P HA 0.381 nan 4.420 nan 0.000 0.278 181 P C 0.926 178.277 177.300 0.085 0.000 1.238 181 P CA -0.461 62.690 63.100 0.084 0.000 0.794 181 P CB 0.689 32.421 31.700 0.054 0.000 0.955 182 I N 1.532 122.178 120.570 0.126 0.000 2.182 182 I HA -0.362 3.808 4.170 -0.000 0.000 0.248 182 I C 1.995 178.083 176.117 -0.048 0.000 1.073 182 I CA 2.257 63.565 61.300 0.015 0.000 1.335 182 I CB -2.125 35.732 38.000 -0.238 0.000 1.031 182 I HN 0.297 nan 8.210 nan 0.000 0.420 183 A N 0.635 123.435 122.820 -0.033 0.000 1.869 183 A HA -0.353 3.967 4.320 -0.000 0.000 0.218 183 A C 2.457 180.076 177.584 0.058 0.000 1.203 183 A CA 2.608 54.636 52.037 -0.016 0.000 0.638 183 A CB -1.443 17.550 19.000 -0.011 0.000 0.831 183 A HN 0.745 nan 8.150 nan 0.000 0.450 184 H N 0.827 119.855 119.070 -0.069 0.000 2.421 184 H HA -0.047 4.509 4.556 -0.000 0.000 0.298 184 H C 1.792 177.080 175.328 -0.067 0.000 1.087 184 H CA 1.647 57.655 56.048 -0.067 0.000 1.330 184 H CB -0.540 29.166 29.762 -0.092 0.000 1.388 184 H HN 0.462 nan 8.280 nan 0.000 0.526 185 L N -1.449 119.664 121.223 -0.184 0.000 2.079 185 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 185 L C 2.641 179.485 176.870 -0.043 0.000 1.081 185 L CA 1.735 56.428 54.840 -0.245 0.000 0.752 185 L CB -1.084 40.812 42.059 -0.272 0.000 0.896 185 L HN 0.257 nan 8.230 nan 0.000 0.433 186 A N -0.011 122.798 122.820 -0.019 0.000 1.873 186 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 186 A C 2.247 179.891 177.584 0.099 0.000 1.186 186 A CA 1.760 53.813 52.037 0.027 0.000 0.616 186 A CB -0.605 18.382 19.000 -0.022 0.000 0.823 186 A HN 0.543 nan 8.150 nan 0.000 0.442 187 Q N 0.067 119.919 119.800 0.085 0.000 2.045 187 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 187 Q C 2.362 178.089 176.000 -0.454 0.000 0.991 187 Q CA 2.806 58.616 55.803 0.012 0.000 0.851 187 Q CB -1.275 27.498 28.738 0.059 0.000 0.911 187 Q HN 0.870 nan 8.270 nan 0.000 0.418 188 T N -1.283 113.072 114.554 -0.331 0.000 2.635 188 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 188 T C 1.949 176.347 174.700 -0.503 0.000 1.040 188 T CA 1.674 63.444 62.100 -0.551 0.000 1.156 188 T CB -0.872 67.787 68.868 -0.347 0.000 0.863 188 T HN 0.316 nan 8.240 nan 0.000 0.430 189 A N 2.391 125.218 122.820 0.012 0.000 1.870 189 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 189 A C 2.274 179.905 177.584 0.078 0.000 1.224 189 A CA 2.573 54.720 52.037 0.183 0.000 0.650 189 A CB -1.632 17.458 19.000 0.149 0.000 0.836 189 A HN 0.947 nan 8.150 nan 0.000 0.454 190 Y N -0.158 120.138 120.300 -0.007 0.000 2.165 190 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 190 Y C 2.244 178.113 175.900 -0.052 0.000 1.155 190 Y CA 1.815 59.897 58.100 -0.029 0.000 1.164 190 Y CB -0.733 37.699 38.460 -0.046 0.000 0.978 190 Y HN 0.215 nan 8.280 nan 0.000 0.513 191 R N -0.547 119.449 120.500 -0.841 0.000 2.091 191 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 191 R C 1.919 178.051 176.300 -0.280 0.000 1.136 191 R CA 1.996 57.704 56.100 -0.653 0.000 0.959 191 R CB -0.517 29.255 30.300 -0.880 0.000 0.856 191 R HN 0.378 nan 8.270 nan 0.000 0.437 192 F N 0.147 119.977 119.950 -0.199 0.000 2.113 192 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 192 F C 2.533 178.253 175.800 -0.132 0.000 1.103 192 F CA 1.083 58.997 58.000 -0.143 0.000 1.248 192 F CB -0.999 37.924 39.000 -0.128 0.000 0.999 192 F HN 0.045 nan 8.300 nan 0.000 0.475 193 A N 0.197 123.075 122.820 0.096 0.000 1.972 193 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 193 A C 2.543 180.077 177.584 -0.083 0.000 1.169 193 A CA 1.797 53.820 52.037 -0.023 0.000 0.635 193 A CB -1.522 17.483 19.000 0.008 0.000 0.810 193 A HN 0.413 nan 8.150 nan 0.000 0.446 194 G N -1.093 107.697 108.800 -0.016 0.000 2.424 194 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.214 194 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.214 194 G C 1.538 176.400 174.900 -0.064 0.000 1.202 194 G CA 0.842 45.930 45.100 -0.020 0.000 0.793 194 G HN 0.562 nan 8.290 nan 0.000 0.534 195 Q N -0.921 118.847 119.800 -0.054 0.000 2.217 195 Q HA -0.060 4.280 4.340 -0.000 0.000 0.209 195 Q C 0.522 176.487 176.000 -0.058 0.000 0.988 195 Q CA 0.641 56.410 55.803 -0.057 0.000 0.878 195 Q CB -0.099 28.623 28.738 -0.028 0.000 0.909 195 Q HN 0.380 nan 8.270 nan 0.000 0.424 196 L N 0.824 122.005 121.223 -0.069 0.000 2.319 196 L HA 0.402 4.742 4.340 -0.000 0.000 0.281 196 L C -2.583 174.179 176.870 -0.180 0.000 1.005 196 L CA -2.484 52.298 54.840 -0.096 0.000 0.828 196 L CB 1.259 43.268 42.059 -0.083 0.000 1.227 196 L HN -0.246 nan 8.230 nan 0.000 0.415 197 P HA -0.099 nan 4.420 nan 0.000 0.257 197 P C -0.994 175.995 177.300 -0.517 0.000 1.153 197 P CA 0.364 63.349 63.100 -0.191 0.000 0.762 197 P CB 0.086 31.869 31.700 0.140 0.000 0.743 198 Q N 2.287 121.183 119.800 -1.507 0.000 2.311 198 Q HA 0.107 4.447 4.340 -0.000 0.000 0.272 198 Q C -0.156 175.570 176.000 -0.457 0.000 1.012 198 Q CA 0.129 55.269 55.803 -1.105 0.000 0.891 198 Q CB 0.497 28.203 28.738 -1.721 0.000 1.201 198 Q HN 0.264 nan 8.270 nan 0.000 0.391 199 S N 3.311 118.852 115.700 -0.264 0.000 2.562 199 S HA 0.268 4.738 4.470 -0.000 0.000 0.275 199 S C -1.455 173.117 174.600 -0.048 0.000 1.281 199 S CA -1.541 56.597 58.200 -0.103 0.000 1.045 199 S CB 0.734 63.876 63.200 -0.097 0.000 0.962 199 S HN 0.620 nan 8.310 nan 0.000 0.503 200 P HA -0.054 nan 4.420 nan 0.000 0.228 200 P C -0.049 177.245 177.300 -0.010 0.000 1.151 200 P CA 0.431 63.539 63.100 0.014 0.000 0.770 200 P CB -0.255 31.461 31.700 0.027 0.000 0.786 201 D N 0.980 121.363 120.400 -0.028 0.000 2.357 201 D HA 0.007 4.647 4.640 -0.000 0.000 0.265 201 D C 1.294 177.569 176.300 -0.042 0.000 1.334 201 D CA 0.154 54.133 54.000 -0.035 0.000 0.984 201 D CB 0.197 40.969 40.800 -0.047 0.000 1.077 201 D HN 0.015 nan 8.370 nan 0.000 0.514 202 S N 1.549 117.230 115.700 -0.033 0.000 2.462 202 S HA -0.278 4.192 4.470 -0.000 0.000 0.243 202 S C 1.991 176.566 174.600 -0.042 0.000 1.003 202 S CA 1.302 59.477 58.200 -0.041 0.000 0.970 202 S CB -0.962 62.212 63.200 -0.043 0.000 0.762 202 S HN 0.635 nan 8.310 nan 0.000 0.510 203 T N 1.476 116.012 114.554 -0.030 0.000 2.531 203 T HA -0.404 3.946 4.350 -0.000 0.000 0.261 203 T C 1.634 176.327 174.700 -0.011 0.000 1.141 203 T CA 1.888 63.978 62.100 -0.016 0.000 1.176 203 T CB -0.982 67.868 68.868 -0.031 0.000 0.863 203 T HN 0.420 nan 8.240 nan 0.000 0.424 204 M N 0.668 120.243 119.600 -0.042 0.000 2.108 204 M HA -0.143 4.337 4.480 -0.000 0.000 0.257 204 M C 2.340 178.633 176.300 -0.012 0.000 1.071 204 M CA 2.058 57.335 55.300 -0.038 0.000 1.093 204 M CB -0.440 32.118 32.600 -0.071 0.000 1.345 204 M HN 0.329 nan 8.290 nan 0.000 0.403 205 V N 0.142 120.035 119.914 -0.036 0.000 2.229 205 V HA -0.266 3.854 4.120 -0.000 0.000 0.243 205 V C 2.466 178.506 176.094 -0.091 0.000 1.042 205 V CA 2.015 64.287 62.300 -0.047 0.000 1.000 205 V CB -1.323 30.469 31.823 -0.052 0.000 0.637 205 V HN 0.736 nan 8.190 nan 0.000 0.446 206 S N 0.679 116.283 115.700 -0.159 0.000 2.378 206 S HA -0.359 4.111 4.470 -0.000 0.000 0.229 206 S C 1.916 176.315 174.600 -0.336 0.000 1.052 206 S CA 2.488 60.463 58.200 -0.377 0.000 1.084 206 S CB -1.444 61.574 63.200 -0.304 0.000 0.950 206 S HN 0.623 nan 8.310 nan 0.000 0.440 207 T N 2.957 117.532 114.554 0.035 0.000 2.684 207 T HA -0.007 4.343 4.350 -0.000 0.000 0.267 207 T C 1.829 176.662 174.700 0.221 0.000 1.036 207 T CA 1.749 64.007 62.100 0.263 0.000 1.148 207 T CB -0.661 68.320 68.868 0.189 0.000 0.863 207 T HN 0.456 nan 8.240 nan 0.000 0.436 208 I N 0.720 121.356 120.570 0.110 0.000 2.226 208 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 208 I C 2.806 178.995 176.117 0.120 0.000 1.100 208 I CA 1.394 62.757 61.300 0.104 0.000 1.374 208 I CB -0.343 37.694 38.000 0.062 0.000 1.057 208 I HN 0.121 nan 8.210 nan 0.000 0.413 209 R N -0.040 120.492 120.500 0.054 0.000 2.073 209 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 209 R C 2.225 178.643 176.300 0.197 0.000 1.134 209 R CA 2.097 58.216 56.100 0.032 0.000 0.952 209 R CB -0.540 29.673 30.300 -0.145 0.000 0.850 209 R HN 0.416 nan 8.270 nan 0.000 0.433 210 W N 1.291 122.634 121.300 0.070 0.000 2.333 210 W HA -0.190 4.470 4.660 -0.000 0.000 0.316 210 W C 2.045 178.647 176.519 0.138 0.000 1.215 210 W CA 0.056 57.455 57.345 0.091 0.000 1.278 210 W CB -0.670 28.834 29.460 0.074 0.000 1.154 210 W HN 0.012 nan 8.180 nan 0.000 0.486 211 L N 0.454 121.916 121.223 0.399 0.000 2.034 211 L HA -0.364 3.976 4.340 -0.000 0.000 0.217 211 L C 2.763 179.869 176.870 0.394 0.000 1.077 211 L CA 1.795 56.841 54.840 0.343 0.000 0.769 211 L CB -1.271 40.946 42.059 0.263 0.000 0.890 211 L HN 0.068 nan 8.230 nan 0.000 0.435 212 S N -0.766 115.122 115.700 0.315 0.000 2.359 212 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 212 S C 2.123 176.986 174.600 0.439 0.000 1.035 212 S CA 1.358 59.763 58.200 0.341 0.000 1.018 212 S CB -0.203 63.136 63.200 0.232 0.000 0.876 212 S HN 0.457 nan 8.310 nan 0.000 0.448 213 A N 1.481 124.524 122.820 0.372 0.000 1.865 213 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 213 A C 2.117 180.113 177.584 0.686 0.000 1.191 213 A CA 1.827 54.158 52.037 0.490 0.000 0.623 213 A CB -1.015 18.218 19.000 0.388 0.000 0.826 213 A HN 0.630 nan 8.150 nan 0.000 0.444 214 I N -2.505 118.427 120.570 0.602 0.000 2.208 214 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 214 I C 2.373 178.912 176.117 0.704 0.000 1.097 214 I CA 1.708 63.388 61.300 0.633 0.000 1.363 214 I CB -0.378 37.938 38.000 0.527 0.000 1.051 214 I HN 0.699 nan 8.210 nan 0.000 0.413 215 W N 1.623 123.143 121.300 0.367 0.000 2.353 215 W HA -0.285 4.375 4.660 -0.000 0.000 0.319 215 W C 2.507 179.185 176.519 0.265 0.000 1.207 215 W CA 1.537 58.860 57.345 -0.037 0.000 1.291 215 W CB -0.869 28.377 29.460 -0.357 0.000 1.159 215 W HN 0.191 nan 8.180 nan 0.000 0.478 216 F N 1.261 121.305 119.950 0.157 0.000 2.091 216 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 216 F C 2.209 177.956 175.800 -0.089 0.000 1.103 216 F CA 2.896 60.877 58.000 -0.031 0.000 1.228 216 F CB -0.969 38.164 39.000 0.222 0.000 0.984 216 F HN -0.070 nan 8.300 nan 0.000 0.477 217 G N -0.798 108.114 108.800 0.187 0.000 2.418 217 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 217 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 217 G C 1.800 176.565 174.900 -0.225 0.000 1.158 217 G CA 0.918 45.886 45.100 -0.220 0.000 0.771 217 G HN 0.450 nan 8.290 nan 0.000 0.545 218 S N 0.001 115.724 115.700 0.038 0.000 2.351 218 S HA -0.128 4.342 4.470 -0.000 0.000 0.220 218 S C 2.231 176.873 174.600 0.070 0.000 1.035 218 S CA 1.350 59.676 58.200 0.211 0.000 1.031 218 S CB -0.337 63.163 63.200 0.500 0.000 0.928 218 S HN 0.279 nan 8.310 nan 0.000 0.433 219 L N 1.678 122.781 121.223 -0.201 0.000 2.131 219 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 219 L C 2.480 179.010 176.870 -0.568 0.000 1.092 219 L CA 2.232 56.753 54.840 -0.531 0.000 0.759 219 L CB -1.121 40.443 42.059 -0.826 0.000 0.903 219 L HN 0.534 nan 8.230 nan 0.000 0.435 220 T N -3.897 110.354 114.554 -0.505 0.000 2.777 220 T HA 0.138 4.488 4.350 -0.000 0.000 0.266 220 T C 1.662 176.115 174.700 -0.411 0.000 1.040 220 T CA 1.161 62.974 62.100 -0.478 0.000 1.141 220 T CB -0.479 68.059 68.868 -0.550 0.000 0.868 220 T HN 0.569 nan 8.240 nan 0.000 0.444 221 G N 0.806 109.429 108.800 -0.296 0.000 2.428 221 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.199 221 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.199 221 G C 1.027 175.936 174.900 0.014 0.000 1.005 221 G CA 0.440 45.474 45.100 -0.109 0.000 0.671 221 G HN 0.483 nan 8.290 nan 0.000 0.485 222 R N 0.419 120.789 120.500 -0.217 0.000 2.105 222 R HA 0.201 4.541 4.340 -0.000 0.000 0.239 222 R C 0.943 177.073 176.300 -0.284 0.000 1.135 222 R CA 1.250 57.165 56.100 -0.309 0.000 0.967 222 R CB -0.403 29.538 30.300 -0.599 0.000 0.861 222 R HN 0.448 nan 8.270 nan 0.000 0.442 223 L N 1.020 122.095 121.223 -0.247 0.000 2.307 223 L HA 0.396 4.736 4.340 -0.000 0.000 0.284 223 L C -0.652 176.179 176.870 -0.064 0.000 1.023 223 L CA -0.763 53.998 54.840 -0.132 0.000 0.810 223 L CB 1.734 43.774 42.059 -0.030 0.000 1.231 223 L HN 0.316 nan 8.230 nan 0.000 0.423 224 N N 0.391 118.908 118.700 -0.305 0.000 3.339 224 N HA 0.221 4.961 4.740 -0.000 0.000 0.275 224 N C 0.429 175.208 175.510 -1.217 0.000 1.514 224 N CA -1.043 51.571 53.050 -0.726 0.000 0.879 224 N CB 0.454 38.532 38.487 -0.682 0.000 1.557 224 N HN 0.322 nan 8.380 nan 0.000 0.524 225 R N 0.005 119.663 120.500 -1.404 0.000 2.153 225 R HA -0.088 4.252 4.340 -0.000 0.000 0.252 225 R C 0.334 176.369 176.300 -0.442 0.000 1.158 225 R CA 2.511 58.067 56.100 -0.907 0.000 0.975 225 R CB -1.636 28.360 30.300 -0.507 0.000 0.871 225 R HN 0.565 nan 8.270 nan 0.000 0.450 226 S N -0.105 115.339 115.700 -0.426 0.000 2.483 226 S HA 0.221 4.691 4.470 -0.000 0.000 0.221 226 S C 0.380 174.842 174.600 -0.231 0.000 1.030 226 S CA -0.118 57.914 58.200 -0.279 0.000 0.925 226 S CB 0.428 63.475 63.200 -0.255 0.000 0.795 226 S HN 0.335 nan 8.310 nan 0.000 0.511 227 R N 2.676 123.021 120.500 -0.257 0.000 2.287 227 R HA 0.337 4.677 4.340 -0.000 0.000 0.316 227 R C -0.375 175.840 176.300 -0.143 0.000 1.050 227 R CA -0.160 55.836 56.100 -0.174 0.000 0.983 227 R CB 1.069 31.276 30.300 -0.155 0.000 1.140 227 R HN 0.248 nan 8.270 nan 0.000 0.528 228 T N -2.051 112.445 114.554 -0.097 0.000 2.950 228 T HA 0.166 4.516 4.350 -0.000 0.000 0.288 228 T C 0.228 174.947 174.700 0.032 0.000 1.035 228 T CA -0.763 61.322 62.100 -0.025 0.000 1.028 228 T CB 1.762 70.568 68.868 -0.104 0.000 1.109 228 T HN 0.521 nan 8.240 nan 0.000 0.514 229 C N 3.670 123.046 119.300 0.127 0.000 2.518 229 C HA 0.336 4.796 4.460 -0.000 0.000 0.456 229 C C 1.273 176.318 174.990 0.091 0.000 1.016 229 C CA -0.081 59.043 59.018 0.177 0.000 1.210 229 C CB -2.925 24.991 27.740 0.294 0.000 1.542 229 C HN 0.972 nan 8.230 nan 0.000 0.545 230 N N 1.974 120.658 118.700 -0.027 0.000 2.900 230 N HA -0.198 4.542 4.740 -0.000 0.000 0.240 230 N C 0.912 176.079 175.510 -0.572 0.000 0.953 230 N CA 1.728 54.717 53.050 -0.103 0.000 0.950 230 N CB -1.446 37.114 38.487 0.123 0.000 1.102 230 N HN 1.072 nan 8.380 nan 0.000 0.593 231 G N -0.690 107.574 108.800 -0.893 0.000 3.110 231 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.205 231 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.205 231 G C -0.167 174.051 174.900 -1.137 0.000 1.019 231 G CA -0.187 43.777 45.100 -1.893 0.000 0.826 231 G HN 0.201 nan 8.290 nan 0.000 0.481 232 F N 2.177 121.867 119.950 -0.433 0.000 2.471 232 F HA 0.599 5.126 4.527 -0.000 0.000 0.365 232 F C 0.673 176.515 175.800 0.070 0.000 1.095 232 F CA -0.403 57.548 58.000 -0.081 0.000 1.174 232 F CB 0.369 39.420 39.000 0.085 0.000 1.105 232 F HN 0.383 nan 8.300 nan 0.000 0.535 233 Y N 1.033 121.407 120.300 0.123 0.000 2.728 233 Y HA 0.704 5.254 4.550 -0.000 0.000 0.330 233 Y C -2.043 173.871 175.900 0.023 0.000 1.234 233 Y CA -2.529 55.640 58.100 0.115 0.000 1.070 233 Y CB 1.019 39.518 38.460 0.066 0.000 1.300 233 Y HN 0.246 nan 8.280 nan 0.000 0.467 234 F N 1.466 121.600 119.950 0.307 0.000 2.444 234 F HA 0.381 4.908 4.527 -0.000 0.000 0.342 234 F C 0.046 175.894 175.800 0.080 0.000 1.121 234 F CA -0.616 57.423 58.000 0.064 0.000 0.997 234 F CB 1.812 40.832 39.000 0.033 0.000 1.130 234 F HN 0.521 nan 8.300 nan 0.000 0.454 235 E N 4.006 124.270 120.200 0.106 0.000 2.146 235 E HA 0.228 4.578 4.350 -0.000 0.000 0.282 235 E C -1.175 175.398 176.600 -0.046 0.000 0.989 235 E CA -0.627 55.882 56.400 0.182 0.000 0.799 235 E CB 0.691 30.506 29.700 0.192 0.000 1.088 235 E HN 0.425 nan 8.360 nan 0.000 0.397 236 F N 3.027 123.161 119.950 0.307 0.000 2.605 236 F HA 0.248 4.775 4.527 -0.000 0.000 0.352 236 F C 0.801 176.719 175.800 0.196 0.000 1.236 236 F CA -0.432 57.717 58.000 0.249 0.000 1.267 236 F CB 0.258 39.400 39.000 0.236 0.000 1.632 236 F HN 0.371 nan 8.300 nan 0.000 0.639 237 A N 3.423 126.361 122.820 0.197 0.000 2.451 237 A HA 0.431 4.751 4.320 -0.000 0.000 0.266 237 A C 0.726 178.391 177.584 0.135 0.000 1.119 237 A CA -0.175 51.955 52.037 0.154 0.000 0.786 237 A CB 0.141 19.201 19.000 0.100 0.000 1.061 237 A HN 0.578 nan 8.150 nan 0.000 0.503 238 K N 2.917 123.388 120.400 0.118 0.000 3.405 238 K HA -0.062 4.258 4.320 -0.000 0.000 0.873 238 K C -2.626 174.010 176.600 0.059 0.000 1.057 238 K CA 0.469 56.800 56.287 0.073 0.000 1.232 238 K CB -0.462 32.065 32.500 0.044 0.000 2.752 238 K HN 0.585 nan 8.250 nan 0.000 0.269 239 P HA -0.036 nan 4.420 nan 0.000 0.259 239 P C 0.493 177.768 177.300 -0.042 0.000 1.307 239 P CA 0.835 63.974 63.100 0.065 0.000 0.768 239 P CB 0.276 32.054 31.700 0.129 0.000 1.199 240 A N 0.221 122.914 122.820 -0.210 0.000 3.334 240 A HA 0.328 4.648 4.320 -0.000 0.000 0.201 240 A C 0.352 177.315 177.584 -1.034 0.000 2.125 240 A CA -0.187 51.437 52.037 -0.689 0.000 1.573 240 A CB -1.118 17.601 19.000 -0.468 0.000 1.197 240 A HN 0.187 nan 8.150 nan 0.000 0.371 241 L N 1.756 122.525 121.223 -0.756 0.000 2.514 241 L HA -0.016 4.324 4.340 -0.000 0.000 0.280 241 L C 1.850 178.648 176.870 -0.120 0.000 1.223 241 L CA 0.729 55.373 54.840 -0.327 0.000 0.864 241 L CB -0.352 41.635 42.059 -0.119 0.000 1.118 241 L HN 0.735 nan 8.230 nan 0.000 0.494 242 N N 3.815 122.517 118.700 0.004 0.000 2.313 242 N HA -0.168 4.572 4.740 -0.000 0.000 0.196 242 N C -1.440 174.117 175.510 0.078 0.000 0.995 242 N CA 0.831 53.910 53.050 0.048 0.000 0.899 242 N CB -0.890 37.636 38.487 0.064 0.000 0.977 242 N HN 0.524 nan 8.380 nan 0.000 0.451 243 P HA 0.148 nan 4.420 nan 0.000 0.264 243 P C -1.429 175.940 177.300 0.116 0.000 1.537 243 P CA 0.397 63.558 63.100 0.101 0.000 1.189 243 P CB -0.276 31.473 31.700 0.082 0.000 1.687 244 D N 2.183 122.691 120.400 0.181 0.000 2.458 244 D HA 0.096 4.736 4.640 -0.000 0.000 0.258 244 D C -0.023 176.478 176.300 0.335 0.000 1.134 244 D CA -0.430 53.726 54.000 0.259 0.000 0.915 244 D CB 0.427 41.413 40.800 0.310 0.000 1.028 244 D HN 0.092 nan 8.370 nan 0.000 0.508 245 Q N 1.303 121.222 119.800 0.199 0.000 2.281 245 Q HA 0.310 4.650 4.340 -0.000 0.000 0.267 245 Q C -0.077 175.946 176.000 0.037 0.000 1.053 245 Q CA -0.163 55.723 55.803 0.138 0.000 0.905 245 Q CB 1.050 29.847 28.738 0.099 0.000 1.195 245 Q HN 0.430 nan 8.270 nan 0.000 0.398 246 A N 3.924 126.727 122.820 -0.028 0.000 2.457 246 A HA 0.359 4.679 4.320 -0.000 0.000 0.298 246 A C -0.029 177.646 177.584 0.151 0.000 1.288 246 A CA -0.440 51.484 52.037 -0.189 0.000 0.956 246 A CB 0.107 18.979 19.000 -0.213 0.000 1.135 246 A HN 0.465 nan 8.150 nan 0.000 0.535 247 V N 4.232 124.219 119.914 0.122 0.000 2.427 247 V HA 0.176 4.296 4.120 -0.000 0.000 0.286 247 V C 0.452 176.597 176.094 0.086 0.000 1.034 247 V CA -0.740 61.654 62.300 0.156 0.000 0.893 247 V CB 1.373 33.222 31.823 0.043 0.000 0.982 247 V HN 0.856 nan 8.190 nan 0.000 0.452 248 L N 6.277 127.393 121.223 -0.178 0.000 2.771 248 L HA 0.024 4.364 4.340 -0.000 0.000 0.278 248 L C 0.081 176.726 176.870 -0.374 0.000 1.175 248 L CA 1.358 55.729 54.840 -0.781 0.000 0.973 248 L CB -0.393 41.312 42.059 -0.590 0.000 1.286 248 L HN 0.519 nan 8.230 nan 0.000 0.481 249 K N 6.229 126.326 120.400 -0.504 0.000 2.397 249 K HA 0.218 4.538 4.320 -0.000 0.000 0.253 249 K C -1.371 174.962 176.600 -0.445 0.000 0.932 249 K CA -0.416 55.587 56.287 -0.472 0.000 0.795 249 K CB 1.880 33.846 32.500 -0.891 0.000 1.159 249 K HN 0.724 nan 8.250 nan 0.000 0.424 250 W N 5.770 126.864 121.300 -0.344 0.000 2.295 250 W HA 0.289 4.949 4.660 -0.000 0.000 0.333 250 W C -1.172 175.212 176.519 -0.224 0.000 0.990 250 W CA -0.370 56.769 57.345 -0.343 0.000 1.453 250 W CB 0.251 29.476 29.460 -0.393 0.000 1.263 250 W HN 0.558 nan 8.180 nan 0.000 0.380 251 N N 3.716 122.076 118.700 -0.567 0.000 2.346 251 N HA 0.078 4.818 4.740 -0.000 0.000 0.289 251 N C -1.562 173.647 175.510 -0.503 0.000 1.027 251 N CA -0.733 52.080 53.050 -0.395 0.000 0.864 251 N CB 1.707 40.173 38.487 -0.035 0.000 1.370 251 N HN 0.169 nan 8.380 nan 0.000 0.481 252 D N 1.075 121.212 120.400 -0.439 0.000 2.348 252 D HA 0.188 4.828 4.640 -0.000 0.000 0.259 252 D C 0.699 176.890 176.300 -0.182 0.000 1.296 252 D CA 0.353 54.170 54.000 -0.305 0.000 0.931 252 D CB 0.755 41.455 40.800 -0.167 0.000 1.067 252 D HN 0.664 nan 8.370 nan 0.000 0.503 253 G N 1.522 110.212 108.800 -0.183 0.000 2.478 253 G HA2 0.542 4.502 3.960 -0.000 0.000 0.211 253 G HA3 0.542 4.502 3.960 -0.000 0.000 0.211 253 G C -0.171 174.660 174.900 -0.114 0.000 1.726 253 G CA 0.150 45.167 45.100 -0.139 0.000 0.725 253 G HN 0.580 nan 8.290 nan 0.000 0.654 254 A N -0.423 122.325 122.820 -0.120 0.000 2.413 254 A HA 0.811 5.131 4.320 -0.000 0.000 0.307 254 A C -0.994 176.541 177.584 -0.083 0.000 1.087 254 A CA -0.689 51.295 52.037 -0.088 0.000 0.750 254 A CB 1.501 20.458 19.000 -0.071 0.000 1.296 254 A HN 0.221 nan 8.150 nan 0.000 0.423 255 R N 1.076 121.546 120.500 -0.050 0.000 2.220 255 R HA 0.515 4.855 4.340 -0.000 0.000 0.340 255 R C 0.406 176.712 176.300 0.010 0.000 1.076 255 R CA 0.374 56.462 56.100 -0.020 0.000 0.920 255 R CB 0.697 30.997 30.300 0.001 0.000 1.062 255 R HN 0.863 nan 8.270 nan 0.000 0.469 256 A N 2.545 125.384 122.820 0.032 0.000 2.498 256 A HA 0.397 4.717 4.320 -0.000 0.000 0.239 256 A C 0.315 177.955 177.584 0.092 0.000 1.068 256 A CA -0.089 51.987 52.037 0.065 0.000 0.766 256 A CB 0.111 19.184 19.000 0.120 0.000 1.003 256 A HN 0.839 nan 8.150 nan 0.000 0.497 257 A N 4.227 127.098 122.820 0.085 0.000 2.540 257 A HA 0.370 4.690 4.320 -0.000 0.000 0.268 257 A C -2.074 175.569 177.584 0.098 0.000 1.061 257 A CA -0.479 51.608 52.037 0.082 0.000 0.821 257 A CB -1.042 18.000 19.000 0.070 0.000 0.970 257 A HN 0.594 nan 8.150 nan 0.000 0.524 258 P HA 0.116 nan 4.420 nan 0.000 0.257 258 P C -2.152 175.187 177.300 0.066 0.000 1.189 258 P CA -0.315 62.831 63.100 0.078 0.000 0.780 258 P CB -0.008 31.733 31.700 0.069 0.000 0.772 259 P HA 0.024 nan 4.420 nan 0.000 0.271 259 P C -0.306 177.017 177.300 0.038 0.000 1.238 259 P CA -0.091 63.031 63.100 0.036 0.000 0.794 259 P CB 0.448 32.144 31.700 -0.006 0.000 0.959 260 A N 1.363 124.202 122.820 0.032 0.000 2.797 260 A HA 0.455 4.775 4.320 -0.000 0.000 0.296 260 A C 1.241 178.840 177.584 0.026 0.000 1.580 260 A CA 0.685 52.740 52.037 0.030 0.000 1.277 260 A CB -1.816 17.200 19.000 0.028 0.000 1.101 260 A HN 0.648 nan 8.150 nan 0.000 0.562 261 A N 1.415 124.255 122.820 0.033 0.000 1.257 261 A HA 0.017 4.337 4.320 -0.000 0.000 0.262 261 A C 1.108 178.707 177.584 0.025 0.000 1.061 261 A CA 1.438 53.495 52.037 0.033 0.000 1.094 261 A CB -1.704 17.312 19.000 0.027 0.000 1.471 261 A HN 2.628 nan 8.150 nan 0.000 0.723 262 A N -0.615 122.213 122.820 0.013 0.000 2.457 262 A HA 0.631 4.951 4.320 -0.000 0.000 0.283 262 A C -0.671 176.911 177.584 -0.004 0.000 1.166 262 A CA -0.183 51.854 52.037 -0.000 0.000 0.740 262 A CB 1.007 20.007 19.000 -0.000 0.000 1.181 262 A HN 0.583 nan 8.150 nan 0.000 0.446 263 Q N 0.957 120.742 119.800 -0.025 0.000 2.325 263 Q HA 0.571 4.911 4.340 -0.000 0.000 0.262 263 Q C -0.703 175.260 176.000 -0.063 0.000 0.968 263 Q CA -0.079 55.703 55.803 -0.036 0.000 0.877 263 Q CB 1.894 30.595 28.738 -0.061 0.000 1.253 263 Q HN 0.651 nan 8.270 nan 0.000 0.448 264 S N 1.578 117.256 115.700 -0.036 0.000 2.594 264 S HA 0.723 5.193 4.470 -0.000 0.000 0.296 264 S C -0.843 173.748 174.600 -0.015 0.000 1.124 264 S CA -0.332 57.827 58.200 -0.068 0.000 1.011 264 S CB 0.716 63.918 63.200 0.003 0.000 1.016 264 S HN 0.594 nan 8.310 nan 0.000 0.485 265 S N 3.725 119.338 115.700 -0.146 0.000 2.632 265 S HA 0.824 5.294 4.470 -0.000 0.000 0.289 265 S C -1.770 172.781 174.600 -0.082 0.000 1.115 265 S CA -0.667 57.523 58.200 -0.016 0.000 0.889 265 S CB 1.015 64.231 63.200 0.026 0.000 1.116 265 S HN 0.646 nan 8.310 nan 0.000 0.486 266 Y N 0.467 120.715 120.300 -0.086 0.000 2.406 266 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 266 Y C -0.117 175.777 175.900 -0.011 0.000 0.975 266 Y CA -1.146 56.908 58.100 -0.077 0.000 1.056 266 Y CB 1.616 40.089 38.460 0.022 0.000 1.210 266 Y HN 0.817 nan 8.280 nan 0.000 0.448 267 I N 2.124 122.774 120.570 0.134 0.000 2.392 267 I HA 0.776 4.946 4.170 -0.000 0.000 0.295 267 I C -0.522 175.742 176.117 0.245 0.000 0.985 267 I CA -0.975 60.468 61.300 0.240 0.000 1.221 267 I CB 1.601 39.801 38.000 0.334 0.000 1.366 267 I HN 0.599 nan 8.210 nan 0.000 0.467 268 R N 4.123 124.734 120.500 0.185 0.000 2.803 268 R HA 0.673 5.013 4.340 -0.000 0.000 0.276 268 R C -1.510 174.608 176.300 -0.305 0.000 0.978 268 R CA -0.740 55.360 56.100 -0.001 0.000 0.939 268 R CB 1.658 31.915 30.300 -0.072 0.000 1.179 268 R HN 0.714 nan 8.270 nan 0.000 0.472 269 C N 4.360 123.372 119.300 -0.481 0.000 2.239 269 C HA 0.326 4.786 4.460 -0.000 0.000 0.325 269 C C 1.630 176.405 174.990 -0.357 0.000 1.231 269 C CA -0.841 57.745 59.018 -0.720 0.000 1.652 269 C CB -1.175 26.192 27.740 -0.622 0.000 2.284 269 C HN 0.930 nan 8.230 nan 0.000 0.499 270 I N 4.028 124.444 120.570 -0.257 0.000 2.676 270 I HA 0.100 4.270 4.170 -0.000 0.000 0.259 270 I C 1.190 177.261 176.117 -0.077 0.000 1.194 270 I CA 0.958 62.186 61.300 -0.121 0.000 1.473 270 I CB -0.627 37.338 38.000 -0.059 0.000 1.096 270 I HN 0.513 nan 8.210 nan 0.000 0.443 271 S N 1.521 117.190 115.700 -0.052 0.000 2.438 271 S HA 0.409 4.879 4.470 -0.000 0.000 0.293 271 S C -1.561 173.000 174.600 -0.065 0.000 1.141 271 S CA -1.417 56.744 58.200 -0.064 0.000 1.080 271 S CB 0.836 64.062 63.200 0.043 0.000 0.978 271 S HN -0.051 nan 8.310 nan 0.000 0.479 272 P HA -0.168 nan 4.420 nan 0.000 0.218 272 P C 0.930 177.931 177.300 -0.498 0.000 1.146 272 P CA 1.185 63.957 63.100 -0.547 0.000 0.820 272 P CB -0.080 30.800 31.700 -1.367 0.000 0.778 273 H N -1.286 117.710 119.070 -0.123 0.000 2.501 273 H HA -0.203 4.353 4.556 -0.000 0.000 0.296 273 H C 1.941 177.200 175.328 -0.115 0.000 1.115 273 H CA 1.329 57.295 56.048 -0.137 0.000 1.242 273 H CB -1.163 28.627 29.762 0.046 0.000 1.363 273 H HN 0.541 nan 8.280 nan 0.000 0.537 274 W N 2.159 123.483 121.300 0.039 0.000 2.305 274 W HA -0.303 4.357 4.660 -0.000 0.000 0.308 274 W C 1.457 177.993 176.519 0.029 0.000 1.226 274 W CA 1.032 58.410 57.345 0.054 0.000 1.253 274 W CB -0.987 28.492 29.460 0.032 0.000 1.146 274 W HN 0.238 nan 8.180 nan 0.000 0.507 275 Q N 0.097 119.533 119.800 -0.607 0.000 2.231 275 Q HA -0.282 4.058 4.340 -0.000 0.000 0.217 275 Q C 1.546 177.471 176.000 -0.125 0.000 1.013 275 Q CA 2.511 57.898 55.803 -0.693 0.000 0.917 275 Q CB -0.662 27.528 28.738 -0.913 0.000 0.968 275 Q HN 0.491 nan 8.270 nan 0.000 0.414 276 H N -0.999 118.026 119.070 -0.075 0.000 2.520 276 H HA 0.207 4.763 4.556 -0.000 0.000 0.284 276 H C -0.178 175.191 175.328 0.067 0.000 1.037 276 H CA 0.121 56.160 56.048 -0.016 0.000 1.168 276 H CB 0.544 30.326 29.762 0.034 0.000 1.497 276 H HN 0.079 nan 8.280 nan 0.000 0.547 277 Q N 1.304 121.234 119.800 0.215 0.000 2.626 277 Q HA 0.175 4.515 4.340 -0.000 0.000 0.239 277 Q C 1.534 177.674 176.000 0.232 0.000 1.101 277 Q CA -0.203 55.748 55.803 0.246 0.000 0.918 277 Q CB 0.778 29.703 28.738 0.313 0.000 1.151 277 Q HN 0.595 nan 8.270 nan 0.000 0.531 278 I N -1.697 118.969 120.570 0.160 0.000 2.399 278 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 278 I C 1.630 177.787 176.117 0.067 0.000 1.146 278 I CA 1.160 62.516 61.300 0.093 0.000 1.412 278 I CB -0.658 37.364 38.000 0.037 0.000 1.076 278 I HN 0.186 nan 8.210 nan 0.000 0.432 279 V N 0.354 120.363 119.914 0.159 0.000 2.233 279 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 279 V C 2.439 178.530 176.094 -0.004 0.000 1.050 279 V CA 2.178 64.586 62.300 0.180 0.000 1.010 279 V CB -1.470 30.723 31.823 0.617 0.000 0.637 279 V HN 0.490 nan 8.190 nan 0.000 0.444 280 E N 0.601 121.008 120.200 0.346 0.000 2.038 280 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 280 E C 2.355 179.030 176.600 0.126 0.000 1.000 280 E CA 1.908 58.559 56.400 0.418 0.000 0.803 280 E CB -0.444 29.580 29.700 0.541 0.000 0.750 280 E HN 0.559 nan 8.360 nan 0.000 0.448 281 V N 1.489 121.482 119.914 0.132 0.000 2.332 281 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 281 V C 2.382 178.399 176.094 -0.128 0.000 1.055 281 V CA 1.886 64.227 62.300 0.067 0.000 1.038 281 V CB -0.837 31.085 31.823 0.166 0.000 0.651 281 V HN 0.321 nan 8.190 nan 0.000 0.450 282 A N 0.588 123.277 122.820 -0.218 0.000 1.933 282 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 282 A C 2.421 179.687 177.584 -0.530 0.000 1.175 282 A CA 1.858 53.700 52.037 -0.325 0.000 0.628 282 A CB -1.183 17.645 19.000 -0.286 0.000 0.814 282 A HN 0.534 nan 8.150 nan 0.000 0.444 283 G N -0.290 107.999 108.800 -0.851 0.000 2.446 283 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.217 283 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.217 283 G C 1.776 175.719 174.900 -1.594 0.000 1.168 283 G CA 1.532 45.824 45.100 -1.346 0.000 0.771 283 G HN 0.822 nan 8.290 nan 0.000 0.551 284 A N 0.407 122.553 122.820 -1.124 0.000 1.908 284 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 284 A C 2.378 179.825 177.584 -0.229 0.000 1.181 284 A CA 1.788 53.540 52.037 -0.476 0.000 0.627 284 A CB -0.453 18.501 19.000 -0.077 0.000 0.818 284 A HN 0.496 nan 8.150 nan 0.000 0.445 285 L N -0.726 120.367 121.223 -0.216 0.000 2.141 285 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 285 L C 2.465 179.276 176.870 -0.097 0.000 1.094 285 L CA 1.799 56.564 54.840 -0.124 0.000 0.763 285 L CB -0.376 41.602 42.059 -0.134 0.000 0.908 285 L HN 0.437 nan 8.230 nan 0.000 0.437 286 M N -0.938 118.553 119.600 -0.183 0.000 2.080 286 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 286 M C 2.367 178.646 176.300 -0.035 0.000 1.068 286 M CA 2.127 57.359 55.300 -0.114 0.000 1.109 286 M CB -0.630 31.873 32.600 -0.161 0.000 1.342 286 M HN 0.561 nan 8.290 nan 0.000 0.405 287 S N -0.319 115.351 115.700 -0.051 0.000 2.423 287 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 287 S C 1.785 176.445 174.600 0.099 0.000 1.014 287 S CA 0.617 58.882 58.200 0.109 0.000 0.965 287 S CB -0.348 63.005 63.200 0.255 0.000 0.785 287 S HN 0.414 nan 8.310 nan 0.000 0.495 288 Q N 2.275 122.122 119.800 0.077 0.000 2.050 288 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 288 Q C 2.742 178.841 176.000 0.165 0.000 0.980 288 Q CA 1.925 57.805 55.803 0.129 0.000 0.840 288 Q CB -1.212 27.611 28.738 0.141 0.000 0.898 288 Q HN 0.821 nan 8.270 nan 0.000 0.424 289 S N 0.457 116.233 115.700 0.125 0.000 2.359 289 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 289 S C 2.191 176.854 174.600 0.104 0.000 1.035 289 S CA 1.599 59.874 58.200 0.124 0.000 1.018 289 S CB -0.883 62.373 63.200 0.094 0.000 0.876 289 S HN 0.128 nan 8.310 nan 0.000 0.448 290 V N 2.745 122.704 119.914 0.075 0.000 2.277 290 V HA -0.280 3.840 4.120 -0.000 0.000 0.253 290 V C 2.920 179.031 176.094 0.028 0.000 1.067 290 V CA 2.540 64.868 62.300 0.047 0.000 1.047 290 V CB -1.899 29.965 31.823 0.068 0.000 0.649 290 V HN 0.719 nan 8.190 nan 0.000 0.447 291 T N 0.287 114.853 114.554 0.019 0.000 2.720 291 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 291 T C 2.049 176.805 174.700 0.093 0.000 1.037 291 T CA 1.557 63.634 62.100 -0.040 0.000 1.144 291 T CB -0.543 68.234 68.868 -0.151 0.000 0.864 291 T HN 0.619 nan 8.240 nan 0.000 0.444 292 A N 1.082 124.072 122.820 0.284 0.000 1.940 292 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 292 A C 2.575 180.505 177.584 0.577 0.000 1.176 292 A CA 1.489 53.888 52.037 0.604 0.000 0.631 292 A CB -0.932 18.365 19.000 0.495 0.000 0.814 292 A HN 0.403 nan 8.150 nan 0.000 0.446 293 V N -1.282 118.796 119.914 0.272 0.000 2.488 293 V HA 0.007 4.127 4.120 -0.000 0.000 0.246 293 V C 1.399 177.574 176.094 0.135 0.000 1.046 293 V CA 1.757 64.170 62.300 0.187 0.000 1.053 293 V CB -0.546 31.317 31.823 0.066 0.000 0.679 293 V HN 0.552 nan 8.190 nan 0.000 0.458 294 T N -0.245 114.358 114.554 0.082 0.000 2.876 294 T HA 0.620 4.970 4.350 -0.000 0.000 0.289 294 T C 0.003 174.691 174.700 -0.021 0.000 1.014 294 T CA -0.050 62.056 62.100 0.011 0.000 0.986 294 T CB 1.490 70.343 68.868 -0.025 0.000 1.021 294 T HN 0.310 nan 8.240 nan 0.000 0.458 295 G N 5.012 113.793 108.800 -0.031 0.000 3.058 295 G HA2 0.471 4.431 3.960 -0.000 0.000 0.316 295 G HA3 0.471 4.431 3.960 -0.000 0.000 0.316 295 G C 0.229 175.110 174.900 -0.031 0.000 0.951 295 G CA -0.468 44.608 45.100 -0.039 0.000 1.535 295 G HN 0.799 nan 8.290 nan 0.000 0.500 296 L N 1.797 122.988 121.223 -0.053 0.000 2.529 296 L HA 0.085 4.425 4.340 -0.000 0.000 0.287 296 L C -1.607 175.291 176.870 0.046 0.000 1.241 296 L CA -1.233 53.583 54.840 -0.040 0.000 0.857 296 L CB 0.169 42.169 42.059 -0.099 0.000 1.113 296 L HN 0.259 nan 8.230 nan 0.000 0.504 297 P HA 0.031 nan 4.420 nan 0.000 0.261 297 P C -0.403 176.915 177.300 0.029 0.000 1.203 297 P CA -0.221 62.923 63.100 0.074 0.000 0.767 297 P CB 0.513 32.272 31.700 0.099 0.000 0.785 298 A N 5.036 127.861 122.820 0.009 0.000 2.520 298 A HA -0.102 4.218 4.320 -0.000 0.000 0.279 298 A C 0.374 177.918 177.584 -0.066 0.000 1.031 298 A CA -0.023 52.009 52.037 -0.009 0.000 0.943 298 A CB -1.209 17.790 19.000 -0.002 0.000 0.899 298 A HN 0.515 nan 8.150 nan 0.000 0.508 299 L N 3.299 124.478 121.223 -0.074 0.000 3.184 299 L HA -0.200 4.140 4.340 -0.000 0.000 0.355 299 L C 0.875 177.634 176.870 -0.186 0.000 1.167 299 L CA 0.483 55.237 54.840 -0.144 0.000 0.816 299 L CB -0.559 41.450 42.059 -0.083 0.000 1.165 299 L HN 0.611 nan 8.230 nan 0.000 0.603 300 I N 3.607 124.006 120.570 -0.285 0.000 2.894 300 I HA -0.257 3.913 4.170 -0.000 0.000 0.182 300 I C 0.622 176.638 176.117 -0.169 0.000 0.923 300 I CA 0.501 61.656 61.300 -0.243 0.000 2.645 300 I CB -1.323 36.534 38.000 -0.238 0.000 0.695 300 I HN 0.549 nan 8.210 nan 0.000 0.358 301 D N 7.617 127.930 120.400 -0.145 0.000 2.487 301 D HA -0.035 4.605 4.640 -0.000 0.000 0.243 301 D C 1.737 177.968 176.300 -0.116 0.000 1.154 301 D CA -0.015 53.914 54.000 -0.118 0.000 0.876 301 D CB 0.581 41.325 40.800 -0.093 0.000 1.161 301 D HN 0.582 nan 8.370 nan 0.000 0.478 302 E N 1.854 121.978 120.200 -0.128 0.000 2.477 302 E HA -0.371 3.979 4.350 -0.000 0.000 0.223 302 E C 1.387 177.924 176.600 -0.106 0.000 1.118 302 E CA 1.445 57.765 56.400 -0.133 0.000 0.875 302 E CB -0.314 29.304 29.700 -0.138 0.000 0.758 302 E HN 0.471 nan 8.360 nan 0.000 0.491 303 A N 1.513 124.283 122.820 -0.084 0.000 1.986 303 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 303 A C 2.303 179.852 177.584 -0.059 0.000 1.171 303 A CA 2.077 54.076 52.037 -0.064 0.000 0.640 303 A CB -0.739 18.232 19.000 -0.050 0.000 0.811 303 A HN 0.513 nan 8.150 nan 0.000 0.451 304 T N -3.008 111.505 114.554 -0.069 0.000 3.248 304 T HA 0.635 4.985 4.350 -0.000 0.000 0.271 304 T C -0.066 174.591 174.700 -0.071 0.000 1.005 304 T CA -0.337 61.728 62.100 -0.058 0.000 0.902 304 T CB -0.369 68.470 68.868 -0.049 0.000 1.102 304 T HN 0.154 nan 8.240 nan 0.000 0.548 305 L N 2.482 123.647 121.223 -0.096 0.000 2.362 305 L HA 0.529 4.869 4.340 -0.000 0.000 0.275 305 L C -2.296 174.490 176.870 -0.140 0.000 0.998 305 L CA -2.806 51.951 54.840 -0.138 0.000 0.820 305 L CB 2.241 44.178 42.059 -0.204 0.000 1.270 305 L HN -0.016 nan 8.230 nan 0.000 0.415 306 P HA -0.057 nan 4.420 nan 0.000 0.266 306 P C 0.394 177.571 177.300 -0.205 0.000 1.193 306 P CA -0.014 63.048 63.100 -0.063 0.000 0.770 306 P CB 0.868 32.660 31.700 0.155 0.000 0.836 307 A N 4.300 127.082 122.820 -0.063 0.000 1.986 307 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 307 A C 1.909 179.410 177.584 -0.139 0.000 1.171 307 A CA 1.654 53.639 52.037 -0.086 0.000 0.640 307 A CB -1.562 17.435 19.000 -0.006 0.000 0.811 307 A HN 0.851 nan 8.150 nan 0.000 0.451 308 W N -1.139 120.114 121.300 -0.079 0.000 2.525 308 W HA 0.129 4.789 4.660 -0.000 0.000 0.259 308 W C 1.021 177.485 176.519 -0.092 0.000 1.253 308 W CA 1.050 58.337 57.345 -0.097 0.000 1.262 308 W CB -0.893 28.488 29.460 -0.132 0.000 1.122 308 W HN 0.411 nan 8.180 nan 0.000 0.607 309 S N 0.815 115.736 115.700 -1.298 0.000 2.624 309 S HA 0.183 4.653 4.470 -0.000 0.000 0.246 309 S C 0.040 174.287 174.600 -0.588 0.000 1.072 309 S CA -0.391 57.110 58.200 -1.165 0.000 1.045 309 S CB -0.293 61.880 63.200 -1.711 0.000 0.851 309 S HN 0.203 nan 8.310 nan 0.000 0.480 310 Q N -0.187 119.361 119.800 -0.419 0.000 2.235 310 Q HA 0.528 4.868 4.340 -0.000 0.000 0.256 310 Q C 0.837 176.710 176.000 -0.212 0.000 0.951 310 Q CA -0.138 55.507 55.803 -0.263 0.000 0.890 310 Q CB 1.465 30.083 28.738 -0.200 0.000 1.279 310 Q HN 0.431 nan 8.270 nan 0.000 0.444 311 G N 0.669 109.364 108.800 -0.175 0.000 2.179 311 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 311 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 311 G C 0.066 174.866 174.900 -0.167 0.000 1.010 311 G CA 0.183 45.195 45.100 -0.147 0.000 0.736 311 G HN 0.434 nan 8.290 nan 0.000 0.513 312 V N -0.232 119.559 119.914 -0.204 0.000 2.421 312 V HA 0.480 4.600 4.120 -0.000 0.000 0.271 312 V C 1.891 177.804 176.094 -0.302 0.000 1.031 312 V CA 0.365 62.522 62.300 -0.238 0.000 1.032 312 V CB -0.466 31.208 31.823 -0.248 0.000 1.009 312 V HN 1.973 nan 8.190 nan 0.000 0.477 313 A N 5.169 127.792 122.820 -0.328 0.000 5.031 313 A HA -0.379 3.941 4.320 -0.000 0.000 0.368 313 A C 1.224 178.590 177.584 -0.362 0.000 1.508 313 A CA 2.893 54.671 52.037 -0.431 0.000 0.731 313 A CB -1.412 17.120 19.000 -0.780 0.000 1.511 313 A HN 0.909 nan 8.150 nan 0.000 0.424 314 N N -0.674 117.705 118.700 -0.536 0.000 2.338 314 N HA 0.556 5.296 4.740 -0.000 0.000 0.251 314 N C 0.855 176.313 175.510 -0.086 0.000 1.199 314 N CA 0.147 53.099 53.050 -0.164 0.000 0.879 314 N CB 0.427 38.999 38.487 0.142 0.000 1.159 314 N HN 0.465 nan 8.380 nan 0.000 0.514 315 L N -0.302 120.807 121.223 -0.191 0.000 2.327 315 L HA 0.160 4.500 4.340 -0.000 0.000 0.192 315 L C 1.158 177.965 176.870 -0.104 0.000 1.158 315 L CA 0.484 55.264 54.840 -0.100 0.000 0.813 315 L CB -0.417 41.549 42.059 -0.155 0.000 1.021 315 L HN 0.193 nan 8.230 nan 0.000 0.481 316 T N -0.977 113.492 114.554 -0.142 0.000 2.907 316 T HA 0.524 4.874 4.350 -0.000 0.000 0.298 316 T C 0.045 174.676 174.700 -0.115 0.000 1.017 316 T CA -0.157 61.861 62.100 -0.136 0.000 1.118 316 T CB 1.582 70.354 68.868 -0.161 0.000 0.948 316 T HN 0.344 nan 8.240 nan 0.000 0.531 317 G N 2.018 110.759 108.800 -0.099 0.000 3.195 317 G HA2 0.524 4.484 3.960 -0.000 0.000 0.217 317 G HA3 0.524 4.484 3.960 -0.000 0.000 0.217 317 G C -0.099 174.756 174.900 -0.074 0.000 1.166 317 G CA -0.388 44.664 45.100 -0.080 0.000 0.812 317 G HN 0.738 nan 8.290 nan 0.000 0.617 318 N N -2.303 116.362 118.700 -0.058 0.000 2.149 318 N HA 0.235 4.975 4.740 -0.000 0.000 0.229 318 N C 0.703 176.190 175.510 -0.039 0.000 1.284 318 N CA 0.722 53.742 53.050 -0.050 0.000 0.864 318 N CB 0.951 39.410 38.487 -0.045 0.000 1.169 318 N HN 0.803 nan 8.380 nan 0.000 0.478 319 G N 0.773 109.553 108.800 -0.034 0.000 4.740 319 G HA2 0.413 4.373 3.960 -0.000 0.000 0.290 319 G HA3 0.413 4.373 3.960 -0.000 0.000 0.290 319 G C -0.623 174.265 174.900 -0.021 0.000 1.333 319 G CA -0.475 44.610 45.100 -0.024 0.000 0.923 319 G HN 0.316 nan 8.290 nan 0.000 0.559 320 Q N -0.367 119.419 119.800 -0.024 0.000 3.177 320 Q HA 0.675 5.015 4.340 -0.000 0.000 0.339 320 Q C 0.201 176.195 176.000 -0.010 0.000 0.912 320 Q CA -1.060 54.732 55.803 -0.017 0.000 0.818 320 Q CB 0.670 29.393 28.738 -0.025 0.000 1.448 320 Q HN 0.224 nan 8.270 nan 0.000 0.489 321 G N 0.230 109.030 108.800 0.001 0.000 2.365 321 G HA2 0.362 4.322 3.960 -0.000 0.000 0.249 321 G HA3 0.362 4.322 3.960 -0.000 0.000 0.249 321 G C 0.253 175.150 174.900 -0.005 0.000 1.288 321 G CA 0.157 45.270 45.100 0.022 0.000 0.887 321 G HN 0.884 nan 8.290 nan 0.000 0.524 322 V N 1.664 121.589 119.914 0.018 0.000 5.981 322 V HA -0.238 3.882 4.120 -0.000 0.000 0.233 322 V C 1.707 177.754 176.094 -0.080 0.000 0.653 322 V CA 0.694 62.986 62.300 -0.013 0.000 0.677 322 V CB -2.183 29.666 31.823 0.044 0.000 0.632 322 V HN 0.641 nan 8.190 nan 0.000 0.464 323 V N 2.126 122.013 119.914 -0.046 0.000 2.295 323 V HA -0.031 4.089 4.120 -0.000 0.000 0.246 323 V C -0.148 175.908 176.094 -0.063 0.000 1.049 323 V CA 2.510 64.776 62.300 -0.057 0.000 1.024 323 V CB -0.811 30.991 31.823 -0.036 0.000 0.648 323 V HN 0.825 nan 8.190 nan 0.000 0.447 324 P HA 0.240 nan 4.420 nan 0.000 0.293 324 P C -1.057 176.228 177.300 -0.025 0.000 1.291 324 P CA -0.350 62.732 63.100 -0.030 0.000 0.867 324 P CB 1.782 33.476 31.700 -0.009 0.000 1.074 325 C N 4.011 123.296 119.300 -0.024 0.000 2.463 325 C HA 0.416 4.876 4.460 -0.000 0.000 0.380 325 C C 0.219 175.245 174.990 0.060 0.000 1.264 325 C CA -0.419 58.605 59.018 0.009 0.000 2.161 325 C CB -1.109 26.626 27.740 -0.007 0.000 2.515 325 C HN 0.422 nan 8.230 nan 0.000 0.565 326 L N 5.649 126.940 121.223 0.113 0.000 2.361 326 L HA 0.340 4.680 4.340 -0.000 0.000 0.278 326 L C -0.079 176.915 176.870 0.208 0.000 1.113 326 L CA 1.075 56.007 54.840 0.153 0.000 0.849 326 L CB 0.258 42.430 42.059 0.189 0.000 1.155 326 L HN 0.640 nan 8.230 nan 0.000 0.452 327 D N 2.083 122.596 120.400 0.189 0.000 2.505 327 D HA 0.546 5.186 4.640 -0.000 0.000 0.249 327 D C -1.163 175.291 176.300 0.256 0.000 1.082 327 D CA -0.094 54.011 54.000 0.176 0.000 0.839 327 D CB 1.409 42.251 40.800 0.069 0.000 1.317 327 D HN 0.371 nan 8.370 nan 0.000 0.497 328 Y N 0.180 120.517 120.300 0.061 0.000 2.562 328 Y HA 0.587 5.137 4.550 -0.000 0.000 0.345 328 Y C -1.279 174.671 175.900 0.084 0.000 1.045 328 Y CA -1.259 56.880 58.100 0.064 0.000 1.028 328 Y CB 1.299 39.796 38.460 0.062 0.000 1.297 328 Y HN 0.123 nan 8.280 nan 0.000 0.463 329 N N 4.374 123.193 118.700 0.198 0.000 2.437 329 N HA 0.312 5.052 4.740 -0.000 0.000 0.259 329 N C -2.060 173.612 175.510 0.270 0.000 0.983 329 N CA -2.657 50.496 53.050 0.173 0.000 0.937 329 N CB 1.896 40.469 38.487 0.144 0.000 1.122 329 N HN 0.540 nan 8.380 nan 0.000 0.499 330 P HA -0.131 nan 4.420 nan 0.000 0.216 330 P C 1.340 178.732 177.300 0.153 0.000 1.150 330 P CA 0.874 64.167 63.100 0.321 0.000 0.837 330 P CB 0.550 32.440 31.700 0.317 0.000 0.786 331 V N 1.601 121.584 119.914 0.115 0.000 2.453 331 V HA -0.071 4.049 4.120 -0.000 0.000 0.247 331 V C -0.250 175.846 176.094 0.002 0.000 1.048 331 V CA 2.204 64.521 62.300 0.028 0.000 1.049 331 V CB -2.365 29.453 31.823 -0.009 0.000 0.672 331 V HN 0.174 nan 8.190 nan 0.000 0.457 332 P HA -0.221 nan 4.420 nan 0.000 0.218 332 P C 1.853 179.135 177.300 -0.031 0.000 1.148 332 P CA 1.633 64.736 63.100 0.006 0.000 0.822 332 P CB -0.094 31.623 31.700 0.029 0.000 0.784 333 M N -0.225 119.361 119.600 -0.023 0.000 2.117 333 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 333 M C 2.061 178.248 176.300 -0.189 0.000 1.065 333 M CA 2.035 57.270 55.300 -0.110 0.000 1.114 333 M CB -0.480 32.046 32.600 -0.124 0.000 1.361 333 M HN -0.101 nan 8.290 nan 0.000 0.408 334 A N 0.233 122.954 122.820 -0.165 0.000 1.978 334 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 334 A C 2.240 179.733 177.584 -0.152 0.000 1.170 334 A CA 1.916 53.831 52.037 -0.203 0.000 0.636 334 A CB -1.025 17.871 19.000 -0.173 0.000 0.810 334 A HN 0.669 nan 8.150 nan 0.000 0.448 335 A N -0.244 122.496 122.820 -0.132 0.000 1.898 335 A HA 0.229 4.549 4.320 -0.000 0.000 0.216 335 A C 2.504 180.021 177.584 -0.112 0.000 1.181 335 A CA 1.844 53.820 52.037 -0.101 0.000 0.620 335 A CB -0.988 17.963 19.000 -0.083 0.000 0.819 335 A HN 1.021 nan 8.150 nan 0.000 0.442 336 A N 0.152 122.884 122.820 -0.147 0.000 1.865 336 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 336 A C 2.285 179.705 177.584 -0.273 0.000 1.191 336 A CA 1.927 53.858 52.037 -0.176 0.000 0.623 336 A CB -0.621 18.276 19.000 -0.171 0.000 0.826 336 A HN 0.571 nan 8.150 nan 0.000 0.444 337 R N -1.269 118.985 120.500 -0.410 0.000 2.103 337 R HA -0.248 4.092 4.340 -0.000 0.000 0.242 337 R C 2.014 177.651 176.300 -1.104 0.000 1.142 337 R CA 2.243 57.893 56.100 -0.751 0.000 0.960 337 R CB -0.522 29.253 30.300 -0.875 0.000 0.858 337 R HN 0.665 nan 8.270 nan 0.000 0.439 338 H N 0.313 118.983 119.070 -0.667 0.000 2.357 338 H HA -0.115 4.441 4.556 -0.000 0.000 0.301 338 H C 1.803 177.037 175.328 -0.156 0.000 1.082 338 H CA 1.507 57.313 56.048 -0.404 0.000 1.342 338 H CB -0.307 29.301 29.762 -0.257 0.000 1.389 338 H HN 0.108 nan 8.280 nan 0.000 0.511 339 L N 0.972 122.136 121.223 -0.098 0.000 1.997 339 L HA -0.357 3.983 4.340 -0.000 0.000 0.227 339 L C 2.362 179.204 176.870 -0.045 0.000 1.087 339 L CA 2.191 56.993 54.840 -0.063 0.000 0.797 339 L CB -0.991 41.026 42.059 -0.070 0.000 0.902 339 L HN 0.399 nan 8.230 nan 0.000 0.441 340 Q N -1.773 117.980 119.800 -0.080 0.000 2.030 340 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 340 Q C 2.143 178.214 176.000 0.119 0.000 0.986 340 Q CA 2.470 58.272 55.803 -0.002 0.000 0.843 340 Q CB -0.433 28.291 28.738 -0.023 0.000 0.904 340 Q HN 0.645 nan 8.270 nan 0.000 0.420 341 W N 0.719 121.896 121.300 -0.205 0.000 2.321 341 W HA -0.178 4.482 4.660 -0.000 0.000 0.306 341 W C 2.492 178.925 176.519 -0.143 0.000 1.217 341 W CA 0.792 58.011 57.345 -0.211 0.000 1.257 341 W CB -0.806 28.452 29.460 -0.337 0.000 1.145 341 W HN 0.212 nan 8.180 nan 0.000 0.509 342 R N 0.658 121.237 120.500 0.132 0.000 2.066 342 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 342 R C 2.035 178.353 176.300 0.030 0.000 1.131 342 R CA 1.664 57.803 56.100 0.065 0.000 0.955 342 R CB -0.955 29.380 30.300 0.059 0.000 0.851 342 R HN 0.372 nan 8.270 nan 0.000 0.432 343 Q N 0.212 120.025 119.800 0.021 0.000 2.152 343 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 343 Q C 1.330 177.326 176.000 -0.006 0.000 0.985 343 Q CA 1.734 57.539 55.803 0.004 0.000 0.863 343 Q CB -0.109 28.627 28.738 -0.003 0.000 0.904 343 Q HN 0.347 nan 8.270 nan 0.000 0.422 344 D N -0.744 119.651 120.400 -0.009 0.000 2.312 344 D HA -0.015 4.625 4.640 -0.000 0.000 0.211 344 D C 1.043 177.316 176.300 -0.046 0.000 0.964 344 D CA 1.084 55.062 54.000 -0.035 0.000 0.877 344 D CB -0.041 40.724 40.800 -0.059 0.000 0.924 344 D HN 0.444 nan 8.370 nan 0.000 0.515 345 G N 1.374 110.156 108.800 -0.030 0.000 2.225 345 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.267 345 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.267 345 G C 1.151 176.017 174.900 -0.055 0.000 1.024 345 G CA 0.523 45.604 45.100 -0.031 0.000 0.784 345 G HN 0.377 nan 8.290 nan 0.000 0.507 346 L N -1.756 119.414 121.223 -0.089 0.000 2.081 346 L HA 0.093 4.433 4.340 -0.000 0.000 0.212 346 L C 1.386 178.193 176.870 -0.106 0.000 1.080 346 L CA 1.462 56.210 54.840 -0.154 0.000 0.754 346 L CB -0.185 41.707 42.059 -0.278 0.000 0.893 346 L HN 0.502 nan 8.230 nan 0.000 0.433 347 I N -1.955 118.591 120.570 -0.040 0.000 2.908 347 I HA 0.145 4.315 4.170 -0.000 0.000 0.300 347 I C -0.213 175.929 176.117 0.041 0.000 1.385 347 I CA -0.611 60.696 61.300 0.011 0.000 1.004 347 I CB 1.982 40.012 38.000 0.050 0.000 1.309 347 I HN -0.050 nan 8.210 nan 0.000 0.449 348 T N 3.874 118.454 114.554 0.044 0.000 2.834 348 T HA 0.500 4.850 4.350 -0.000 0.000 0.298 348 T C 1.176 175.922 174.700 0.077 0.000 0.966 348 T CA 0.031 62.160 62.100 0.049 0.000 1.141 348 T CB 1.124 70.014 68.868 0.037 0.000 0.905 348 T HN 0.820 nan 8.240 nan 0.000 0.535 349 A N 3.984 126.847 122.820 0.071 0.000 1.908 349 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 349 A C 2.660 180.280 177.584 0.059 0.000 1.181 349 A CA 1.959 54.044 52.037 0.079 0.000 0.627 349 A CB -1.565 17.468 19.000 0.056 0.000 0.818 349 A HN 1.551 nan 8.150 nan 0.000 0.445 350 A N -0.274 122.572 122.820 0.042 0.000 1.771 350 A HA -0.452 3.868 4.320 -0.000 0.000 0.290 350 A C 1.923 179.526 177.584 0.032 0.000 3.024 350 A CA 3.579 55.635 52.037 0.032 0.000 0.911 350 A CB -0.961 18.056 19.000 0.029 0.000 0.802 350 A HN 0.828 nan 8.150 nan 0.000 0.514 351 Q N -2.132 117.695 119.800 0.045 0.000 2.402 351 Q HA 0.303 4.643 4.340 -0.000 0.000 0.231 351 Q C 1.545 177.584 176.000 0.065 0.000 0.888 351 Q CA 1.367 57.199 55.803 0.048 0.000 0.938 351 Q CB -0.346 28.423 28.738 0.052 0.000 1.086 351 Q HN 0.682 nan 8.270 nan 0.000 0.543 352 E N 1.644 121.898 120.200 0.091 0.000 2.016 352 E HA 0.056 4.406 4.350 -0.000 0.000 0.190 352 E C 1.882 178.532 176.600 0.082 0.000 0.985 352 E CA 1.770 58.247 56.400 0.129 0.000 0.802 352 E CB -0.549 29.274 29.700 0.205 0.000 0.762 352 E HN 0.344 nan 8.360 nan 0.000 0.448 353 A N 0.194 123.074 122.820 0.100 0.000 1.877 353 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 353 A C 2.175 179.708 177.584 -0.085 0.000 1.186 353 A CA 1.801 53.840 52.037 0.004 0.000 0.620 353 A CB -0.764 18.305 19.000 0.115 0.000 0.822 353 A HN 0.245 nan 8.150 nan 0.000 0.443 354 Q N -0.465 119.316 119.800 -0.032 0.000 2.045 354 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 354 Q C 1.986 177.937 176.000 -0.081 0.000 0.991 354 Q CA 1.720 57.490 55.803 -0.056 0.000 0.851 354 Q CB -0.663 28.056 28.738 -0.032 0.000 0.911 354 Q HN 0.546 nan 8.270 nan 0.000 0.418 355 L N 0.880 122.084 121.223 -0.031 0.000 1.971 355 L HA -0.242 4.098 4.340 -0.000 0.000 0.215 355 L C 2.101 179.007 176.870 0.060 0.000 1.072 355 L CA 1.943 56.782 54.840 -0.001 0.000 0.758 355 L CB -0.895 41.258 42.059 0.156 0.000 0.889 355 L HN 0.397 nan 8.230 nan 0.000 0.433 356 N N -0.516 118.219 118.700 0.059 0.000 2.166 356 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 356 N C 1.490 176.946 175.510 -0.091 0.000 1.019 356 N CA 1.213 54.286 53.050 0.039 0.000 0.856 356 N CB -0.074 38.337 38.487 -0.128 0.000 0.993 356 N HN 0.435 nan 8.380 nan 0.000 0.426 357 N N 1.619 120.204 118.700 -0.192 0.000 2.166 357 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 357 N C 0.980 176.334 175.510 -0.259 0.000 1.019 357 N CA 0.985 53.913 53.050 -0.203 0.000 0.856 357 N CB -0.543 37.836 38.487 -0.179 0.000 0.993 357 N HN 0.355 nan 8.380 nan 0.000 0.426 358 D N 0.460 120.675 120.400 -0.309 0.000 2.116 358 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 358 D C 1.842 177.540 176.300 -1.003 0.000 0.998 358 D CA 1.192 54.849 54.000 -0.573 0.000 0.836 358 D CB -0.525 40.021 40.800 -0.423 0.000 0.951 358 D HN 0.369 nan 8.370 nan 0.000 0.449 359 Y N 1.022 121.056 120.300 -0.443 0.000 2.263 359 Y HA -0.117 4.433 4.550 -0.000 0.000 0.292 359 Y C 2.775 178.541 175.900 -0.223 0.000 1.130 359 Y CA 1.424 59.378 58.100 -0.243 0.000 1.179 359 Y CB -0.886 37.581 38.460 0.012 0.000 0.998 359 Y HN 0.057 nan 8.280 nan 0.000 0.532 360 T N -2.611 111.904 114.554 -0.065 0.000 2.995 360 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 360 T C 2.125 176.736 174.700 -0.148 0.000 1.091 360 T CA 0.797 62.846 62.100 -0.085 0.000 1.128 360 T CB -0.569 68.249 68.868 -0.083 0.000 0.891 360 T HN 0.269 nan 8.240 nan 0.000 0.492 361 A N 0.995 123.651 122.820 -0.273 0.000 1.902 361 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 361 A C 2.085 179.577 177.584 -0.154 0.000 1.181 361 A CA 1.181 53.065 52.037 -0.255 0.000 0.623 361 A CB -1.164 17.629 19.000 -0.345 0.000 0.818 361 A HN 0.690 nan 8.150 nan 0.000 0.443 362 Y N -0.156 120.149 120.300 0.008 0.000 2.070 362 Y HA -0.195 4.355 4.550 -0.000 0.000 0.280 362 Y C 3.035 178.946 175.900 0.018 0.000 1.148 362 Y CA 0.688 58.805 58.100 0.028 0.000 1.125 362 Y CB -0.578 37.925 38.460 0.071 0.000 0.975 362 Y HN 0.332 nan 8.280 nan 0.000 0.492 363 A N 0.607 123.514 122.820 0.145 0.000 1.917 363 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 363 A C 2.252 179.793 177.584 -0.070 0.000 1.182 363 A CA 1.840 53.914 52.037 0.062 0.000 0.633 363 A CB -1.245 17.787 19.000 0.054 0.000 0.819 363 A HN 0.567 nan 8.150 nan 0.000 0.448 364 L N -0.323 120.797 121.223 -0.170 0.000 1.991 364 L HA -0.271 4.069 4.340 -0.000 0.000 0.221 364 L C 2.559 179.314 176.870 -0.192 0.000 1.079 364 L CA 2.899 57.535 54.840 -0.341 0.000 0.778 364 L CB -0.856 41.059 42.059 -0.241 0.000 0.893 364 L HN 0.429 nan 8.230 nan 0.000 0.437 365 T N 0.746 115.257 114.554 -0.071 0.000 2.665 365 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 365 T C 1.764 176.385 174.700 -0.132 0.000 1.035 365 T CA 2.388 64.480 62.100 -0.013 0.000 1.151 365 T CB -0.731 68.192 68.868 0.091 0.000 0.862 365 T HN 0.635 nan 8.240 nan 0.000 0.438 366 I N 1.060 121.547 120.570 -0.138 0.000 2.142 366 I HA -0.128 4.042 4.170 -0.000 0.000 0.240 366 I C 2.315 178.114 176.117 -0.529 0.000 1.078 366 I CA 1.618 62.699 61.300 -0.365 0.000 1.343 366 I CB -0.816 37.177 38.000 -0.011 0.000 1.046 366 I HN 0.161 nan 8.210 nan 0.000 0.405 367 E N 0.953 121.081 120.200 -0.119 0.000 2.033 367 E HA -0.288 4.062 4.350 -0.000 0.000 0.199 367 E C 2.394 179.027 176.600 0.056 0.000 1.011 367 E CA 1.733 58.196 56.400 0.104 0.000 0.815 367 E CB -0.369 29.410 29.700 0.132 0.000 0.755 367 E HN 0.452 nan 8.360 nan 0.000 0.451 368 R N 0.448 120.946 120.500 -0.005 0.000 2.083 368 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 368 R C 2.649 178.882 176.300 -0.112 0.000 1.137 368 R CA 2.110 58.093 56.100 -0.194 0.000 0.951 368 R CB -0.357 29.704 30.300 -0.398 0.000 0.851 368 R HN 0.394 nan 8.270 nan 0.000 0.434 369 H N -0.283 118.798 119.070 0.019 0.000 2.387 369 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 369 H C 1.863 177.249 175.328 0.097 0.000 1.090 369 H CA 1.677 57.753 56.048 0.047 0.000 1.332 369 H CB -0.624 29.146 29.762 0.013 0.000 1.386 369 H HN 0.235 nan 8.280 nan 0.000 0.516 370 L N 0.614 121.806 121.223 -0.052 0.000 2.044 370 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 370 L C 2.886 179.926 176.870 0.283 0.000 1.075 370 L CA 1.703 56.626 54.840 0.138 0.000 0.747 370 L CB -0.928 41.185 42.059 0.090 0.000 0.903 370 L HN 0.557 nan 8.230 nan 0.000 0.435 371 T N -1.803 112.956 114.554 0.340 0.000 2.720 371 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 371 T C 1.986 177.035 174.700 0.582 0.000 1.037 371 T CA 1.125 63.483 62.100 0.429 0.000 1.144 371 T CB -0.597 68.455 68.868 0.307 0.000 0.864 371 T HN 0.310 nan 8.240 nan 0.000 0.444 372 A N 2.139 125.283 122.820 0.540 0.000 1.908 372 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 372 A C 2.473 180.214 177.584 0.262 0.000 1.181 372 A CA 2.089 54.392 52.037 0.443 0.000 0.627 372 A CB -0.817 18.419 19.000 0.393 0.000 0.818 372 A HN 0.514 nan 8.150 nan 0.000 0.445 373 M N -0.584 119.154 119.600 0.229 0.000 2.099 373 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 373 M C 1.844 178.235 176.300 0.152 0.000 1.067 373 M CA 1.661 57.057 55.300 0.160 0.000 1.124 373 M CB -0.813 31.875 32.600 0.148 0.000 1.353 373 M HN 0.290 nan 8.290 nan 0.000 0.410 374 L N 0.171 121.512 121.223 0.197 0.000 2.042 374 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 374 L C 2.706 179.673 176.870 0.162 0.000 1.076 374 L CA 1.233 56.187 54.840 0.191 0.000 0.749 374 L CB -1.803 40.411 42.059 0.258 0.000 0.893 374 L HN 0.221 nan 8.230 nan 0.000 0.432 375 V N 0.146 120.167 119.914 0.179 0.000 2.568 375 V HA -0.274 3.846 4.120 -0.000 0.000 0.253 375 V C 2.695 178.811 176.094 0.036 0.000 1.072 375 V CA 1.458 63.804 62.300 0.076 0.000 1.084 375 V CB -0.332 31.439 31.823 -0.086 0.000 0.676 375 V HN 0.482 nan 8.190 nan 0.000 0.469 376 A N 0.678 123.533 122.820 0.058 0.000 1.917 376 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 376 A C 1.960 179.566 177.584 0.037 0.000 1.182 376 A CA 2.310 54.373 52.037 0.043 0.000 0.633 376 A CB -0.776 18.257 19.000 0.056 0.000 0.819 376 A HN 0.788 nan 8.150 nan 0.000 0.448 377 N N 0.133 118.863 118.700 0.049 0.000 2.028 377 N HA -0.123 4.617 4.740 -0.000 0.000 0.194 377 N C -0.826 174.706 175.510 0.036 0.000 1.050 377 N CA 1.568 54.643 53.050 0.042 0.000 0.848 377 N CB -1.697 36.818 38.487 0.047 0.000 1.038 377 N HN 0.276 nan 8.380 nan 0.000 0.423 378 P HA -0.056 nan 4.420 nan 0.000 0.216 378 P C 0.749 178.072 177.300 0.038 0.000 1.150 378 P CA 0.915 64.042 63.100 0.044 0.000 0.843 378 P CB -0.029 31.707 31.700 0.059 0.000 0.787 379 I N -1.394 119.194 120.570 0.030 0.000 3.425 379 I HA 0.184 4.354 4.170 -0.000 0.000 0.298 379 I C 1.153 177.272 176.117 0.005 0.000 1.278 379 I CA 0.128 61.438 61.300 0.016 0.000 1.475 379 I CB -1.825 36.174 38.000 -0.000 0.000 1.283 379 I HN -0.025 nan 8.210 nan 0.000 0.540 380 A N 0.683 123.507 122.820 0.008 0.000 2.264 380 A HA 0.544 4.864 4.320 -0.000 0.000 0.150 380 A C 0.734 178.319 177.584 0.001 0.000 1.931 380 A CA 0.415 52.454 52.037 0.002 0.000 1.453 380 A CB -0.157 18.847 19.000 0.005 0.000 1.599 380 A HN 0.362 nan 8.150 nan 0.000 0.338 381 A N -0.078 122.746 122.820 0.006 0.000 2.340 381 A HA 0.599 4.919 4.320 -0.000 0.000 0.331 381 A C 1.316 178.899 177.584 -0.002 0.000 1.140 381 A CA 0.262 52.300 52.037 0.002 0.000 0.801 381 A CB 0.733 19.737 19.000 0.006 0.000 1.234 381 A HN 1.330 nan 8.150 nan 0.000 0.469 382 G N 0.487 109.280 108.800 -0.013 0.000 2.591 382 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 382 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 382 G C 0.709 175.587 174.900 -0.036 0.000 1.113 382 G CA 1.105 46.188 45.100 -0.028 0.000 0.740 382 G HN 0.960 nan 8.290 nan 0.000 0.569 383 R N -1.424 119.069 120.500 -0.012 0.000 2.407 383 R HA 0.722 5.062 4.340 -0.000 0.000 0.303 383 R C -0.822 175.489 176.300 0.019 0.000 0.981 383 R CA -0.908 55.193 56.100 0.001 0.000 0.905 383 R CB 1.271 31.582 30.300 0.019 0.000 1.099 383 R HN 0.029 nan 8.270 nan 0.000 0.459 384 M N 4.337 123.952 119.600 0.024 0.000 2.007 384 M HA 0.321 4.801 4.480 -0.000 0.000 0.285 384 M C -2.401 173.950 176.300 0.084 0.000 0.893 384 M CA -1.847 53.484 55.300 0.052 0.000 0.925 384 M CB 2.524 35.153 32.600 0.048 0.000 1.568 384 M HN 0.581 nan 8.290 nan 0.000 0.414 385 P HA 0.385 nan 4.420 nan 0.000 0.228 385 P C -0.817 176.527 177.300 0.074 0.000 1.873 385 P CA 0.070 63.236 63.100 0.109 0.000 1.033 385 P CB 0.153 31.945 31.700 0.153 0.000 1.707 386 I N -1.621 118.982 120.570 0.055 0.000 2.793 386 I HA 0.135 4.305 4.170 -0.000 0.000 0.295 386 I C -1.009 175.151 176.117 0.071 0.000 1.610 386 I CA -0.833 60.494 61.300 0.045 0.000 0.986 386 I CB 2.579 40.646 38.000 0.110 0.000 1.402 386 I HN -0.206 nan 8.210 nan 0.000 0.500 387 Q N 6.817 126.660 119.800 0.071 0.000 2.269 387 Q HA 0.185 4.525 4.340 -0.000 0.000 0.300 387 Q C -2.334 173.842 176.000 0.293 0.000 1.070 387 Q CA -0.970 54.968 55.803 0.224 0.000 0.957 387 Q CB 0.685 29.589 28.738 0.277 0.000 1.131 387 Q HN 0.220 nan 8.270 nan 0.000 0.377 388 P HA 0.282 nan 4.420 nan 0.000 0.290 388 P C -1.268 175.959 177.300 -0.122 0.000 1.276 388 P CA -0.275 62.607 63.100 -0.363 0.000 0.808 388 P CB 0.283 31.259 31.700 -1.207 0.000 0.966 389 F N -0.346 119.595 119.950 -0.014 0.000 2.636 389 F HA 0.252 4.779 4.527 -0.000 0.000 0.310 389 F C -1.193 174.657 175.800 0.083 0.000 0.981 389 F CA -1.265 56.779 58.000 0.074 0.000 1.080 389 F CB -0.690 38.247 39.000 -0.105 0.000 1.351 389 F HN 0.286 nan 8.300 nan 0.000 0.602 390 N N 2.392 121.247 118.700 0.259 0.000 2.444 390 N HA 0.550 5.290 4.740 -0.000 0.000 0.255 390 N C 0.973 176.690 175.510 0.346 0.000 1.255 390 N CA -0.207 52.970 53.050 0.211 0.000 0.933 390 N CB 1.549 40.129 38.487 0.154 0.000 1.143 390 N HN 0.902 nan 8.380 nan 0.000 0.453 391 A N 1.570 124.587 122.820 0.329 0.000 1.902 391 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 391 A C 2.244 180.073 177.584 0.409 0.000 1.181 391 A CA 1.725 54.039 52.037 0.463 0.000 0.623 391 A CB -1.662 17.527 19.000 0.314 0.000 0.818 391 A HN 0.929 nan 8.150 nan 0.000 0.443 392 A N -0.027 122.941 122.820 0.246 0.000 2.204 392 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 392 A C 1.536 179.219 177.584 0.166 0.000 1.165 392 A CA 1.844 53.994 52.037 0.189 0.000 0.671 392 A CB -0.650 18.430 19.000 0.132 0.000 0.792 392 A HN 0.582 nan 8.150 nan 0.000 0.473 393 D N -1.036 119.453 120.400 0.148 0.000 2.224 393 D HA -0.067 4.573 4.640 -0.000 0.000 0.205 393 D C 1.223 177.514 176.300 -0.015 0.000 0.965 393 D CA 0.801 54.817 54.000 0.027 0.000 0.852 393 D CB -0.282 40.501 40.800 -0.028 0.000 0.947 393 D HN 0.638 nan 8.370 nan 0.000 0.494 394 F N 1.724 121.683 119.950 0.015 0.000 2.451 394 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 394 F C 1.943 177.755 175.800 0.019 0.000 1.101 394 F CA 0.025 58.000 58.000 -0.042 0.000 1.436 394 F CB -0.445 38.525 39.000 -0.050 0.000 1.074 394 F HN -0.159 nan 8.300 nan 0.000 0.553 395 G N 0.500 109.431 108.800 0.218 0.000 2.187 395 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.239 395 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.239 395 G C 0.327 175.299 174.900 0.120 0.000 1.200 395 G CA -0.425 44.762 45.100 0.145 0.000 0.888 395 G HN 0.231 nan 8.290 nan 0.000 0.482 396 Q N 0.734 120.597 119.800 0.106 0.000 2.401 396 Q HA 0.293 4.633 4.340 -0.000 0.000 0.202 396 Q C 1.232 177.275 176.000 0.072 0.000 0.914 396 Q CA 0.821 56.678 55.803 0.089 0.000 1.006 396 Q CB -0.305 28.478 28.738 0.074 0.000 1.041 396 Q HN 0.701 nan 8.270 nan 0.000 0.501 397 A N -1.524 121.338 122.820 0.071 0.000 3.708 397 A HA 0.726 5.046 4.320 -0.000 0.000 0.178 397 A C 0.956 178.574 177.584 0.057 0.000 1.050 397 A CA -0.058 52.014 52.037 0.058 0.000 1.245 397 A CB -0.396 18.635 19.000 0.052 0.000 1.600 397 A HN 0.392 nan 8.150 nan 0.000 0.697 398 G N -0.612 108.216 108.800 0.046 0.000 2.249 398 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.273 398 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.273 398 G C 0.443 175.375 174.900 0.054 0.000 1.036 398 G CA 1.538 46.662 45.100 0.040 0.000 0.824 398 G HN 1.699 nan 8.290 nan 0.000 0.504 399 Q N -2.350 117.483 119.800 0.055 0.000 2.416 399 Q HA -0.295 4.045 4.340 -0.000 0.000 0.235 399 Q C 1.702 177.751 176.000 0.081 0.000 0.773 399 Q CA 2.323 58.162 55.803 0.060 0.000 1.286 399 Q CB -2.134 26.637 28.738 0.056 0.000 1.556 399 Q HN 0.937 nan 8.270 nan 0.000 0.650 400 T N -0.534 114.078 114.554 0.097 0.000 2.635 400 T HA -0.303 4.047 4.350 -0.000 0.000 0.265 400 T C 1.472 176.208 174.700 0.060 0.000 1.058 400 T CA 2.995 65.163 62.100 0.114 0.000 1.162 400 T CB -0.449 68.490 68.868 0.117 0.000 0.859 400 T HN 0.622 nan 8.240 nan 0.000 0.449 401 A N 0.798 123.639 122.820 0.035 0.000 2.016 401 A HA 0.480 4.800 4.320 -0.000 0.000 0.217 401 A C 2.605 180.192 177.584 0.004 0.000 1.162 401 A CA 1.376 53.417 52.037 0.007 0.000 0.662 401 A CB -0.834 18.166 19.000 -0.000 0.000 0.812 401 A HN 0.543 nan 8.150 nan 0.000 0.450 402 A N 0.398 123.231 122.820 0.023 0.000 1.858 402 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 402 A C 2.520 180.122 177.584 0.030 0.000 1.190 402 A CA 2.104 54.157 52.037 0.026 0.000 0.617 402 A CB -1.225 17.795 19.000 0.033 0.000 0.827 402 A HN 1.134 nan 8.150 nan 0.000 0.443 403 A N -0.386 122.464 122.820 0.050 0.000 1.915 403 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 403 A C 2.247 179.823 177.584 -0.014 0.000 1.198 403 A CA 2.528 54.599 52.037 0.056 0.000 0.647 403 A CB -1.276 17.796 19.000 0.121 0.000 0.825 403 A HN 0.622 nan 8.150 nan 0.000 0.456 404 V N -0.616 119.260 119.914 -0.063 0.000 2.295 404 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 404 V C 2.981 179.016 176.094 -0.098 0.000 1.049 404 V CA 2.017 64.235 62.300 -0.136 0.000 1.024 404 V CB -1.460 30.280 31.823 -0.138 0.000 0.648 404 V HN 0.648 nan 8.190 nan 0.000 0.447 405 A N -0.034 122.759 122.820 -0.045 0.000 1.930 405 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 405 A C 2.225 179.814 177.584 0.008 0.000 1.175 405 A CA 1.535 53.559 52.037 -0.022 0.000 0.627 405 A CB -0.514 18.482 19.000 -0.007 0.000 0.815 405 A HN 0.493 nan 8.150 nan 0.000 0.443 406 L N -0.524 120.714 121.223 0.026 0.000 2.017 406 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 406 L C 3.100 180.027 176.870 0.094 0.000 1.073 406 L CA 1.207 56.084 54.840 0.062 0.000 0.745 406 L CB -0.638 41.469 42.059 0.080 0.000 0.894 406 L HN 0.406 nan 8.230 nan 0.000 0.432 407 A N -0.347 122.510 122.820 0.061 0.000 1.917 407 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 407 A C 2.247 179.931 177.584 0.168 0.000 1.182 407 A CA 2.053 54.122 52.037 0.054 0.000 0.633 407 A CB -0.587 18.160 19.000 -0.422 0.000 0.819 407 A HN 0.536 nan 8.150 nan 0.000 0.448 408 Q N -0.761 119.066 119.800 0.045 0.000 2.020 408 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 408 Q C 2.477 178.571 176.000 0.158 0.000 0.982 408 Q CA 1.511 57.358 55.803 0.073 0.000 0.838 408 Q CB -0.439 28.280 28.738 -0.032 0.000 0.899 408 Q HN 0.678 nan 8.270 nan 0.000 0.423 409 A N 1.050 123.935 122.820 0.108 0.000 1.940 409 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 409 A C 2.109 179.763 177.584 0.118 0.000 1.176 409 A CA 1.565 53.661 52.037 0.097 0.000 0.631 409 A CB -0.647 18.392 19.000 0.065 0.000 0.814 409 A HN 0.333 nan 8.150 nan 0.000 0.446 410 M N -1.920 117.762 119.600 0.137 0.000 2.143 410 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 410 M C 1.786 178.080 176.300 -0.010 0.000 1.071 410 M CA 1.684 57.036 55.300 0.087 0.000 1.088 410 M CB -0.599 32.061 32.600 0.100 0.000 1.360 410 M HN 0.441 nan 8.290 nan 0.000 0.404 411 F N -0.146 119.848 119.950 0.074 0.000 2.502 411 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 411 F C 1.319 177.153 175.800 0.056 0.000 1.111 411 F CA 0.037 58.080 58.000 0.072 0.000 1.445 411 F CB -0.286 38.745 39.000 0.051 0.000 1.081 411 F HN -0.177 nan 8.300 nan 0.000 0.558 412 V N 0.000 120.023 119.914 0.181 0.000 2.409 412 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 412 V CA 0.000 62.368 62.300 0.114 0.000 1.235 412 V CB 0.000 31.873 31.823 0.083 0.000 1.184 412 V HN 0.000 nan 8.190 nan 0.000 0.556