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 2pyw_1_B DATA FIRST_RESID 2 DATA SEQUENCE SFEEFTPLNE KSLVDYIKST PALSSKIGXX XXXXXLVIKE VGDGNLNFVF DATA SEQUENCE IVVGSSGSLV IKQALPYIRC IGESWPMTKE RAYFEATTLR KHGNLSPDHV DATA SEQUENCE PEVYHFDRTM ALIGMRYLEP PHIILRKGLI AGIEYPFLAD HMSDYMAKTL DATA SEQUENCE FFTSLLYHDT TEHRRAVTEF CGNVELCRLT EQVVFSDPYR VSTFNRWTSP DATA SEQUENCE YLDDDAKAVR EDSALKLEIA ELKSMFCERA QALIHGDLHT GSVMVTQDST DATA SEQUENCE QVIDPEFSFY GPMGFDIGAY LGNLILAFFA QDGHATQEND RKEYKQWILR DATA SEQUENCE TIEQTWNLFN KRFIALWDQN KDGPGEAYLA DIYNNTEVLK FVQENYMRNL DATA SEQUENCE LHDSLGFGAA KMIRRIVGVA HVEDFESIEE DKRRAICERS ALEFAKMLLK DATA SEQUENCE ERRKFKSIGE VVSAIQQQ 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.696 174.600 0.160 0.000 1.055 2 S CA 0.000 58.258 58.200 0.097 0.000 1.107 2 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 3 F N 0.262 120.271 119.950 0.097 0.000 2.549 3 F HA 0.741 5.267 4.527 -0.002 0.000 0.275 3 F C 1.965 177.800 175.800 0.058 0.000 0.990 3 F CA 1.512 59.583 58.000 0.118 0.000 1.274 3 F CB -0.900 38.151 39.000 0.086 0.000 1.064 3 F HN 0.786 nan 8.300 nan 0.000 0.715 4 E N 0.891 121.110 120.200 0.030 0.000 2.208 4 E HA 0.345 4.694 4.350 -0.002 0.000 0.193 4 E C 0.724 177.339 176.600 0.025 0.000 0.988 4 E CA 1.526 57.939 56.400 0.022 0.000 0.828 4 E CB -0.962 28.746 29.700 0.013 0.000 0.763 4 E HN 1.289 nan 8.360 nan 0.000 0.478 5 E N -1.118 119.097 120.200 0.025 0.000 2.369 5 E HA 0.625 4.974 4.350 -0.002 0.000 0.270 5 E C -0.614 176.021 176.600 0.058 0.000 0.909 5 E CA -0.779 55.651 56.400 0.050 0.000 0.775 5 E CB 0.752 30.479 29.700 0.045 0.000 1.270 5 E HN 0.567 nan 8.360 nan 0.000 0.445 6 F N 1.988 121.921 119.950 -0.029 0.000 2.612 6 F HA 0.384 4.910 4.527 -0.002 0.000 0.389 6 F C 0.072 175.848 175.800 -0.040 0.000 1.055 6 F CA 0.785 58.760 58.000 -0.042 0.000 1.232 6 F CB 0.514 39.494 39.000 -0.032 0.000 1.044 6 F HN 0.274 nan 8.300 nan 0.000 0.560 7 T N 7.966 121.958 114.554 -0.936 0.000 2.890 7 T HA 0.306 4.655 4.350 -0.002 0.000 0.295 7 T C -2.763 171.335 174.700 -1.004 0.000 0.993 7 T CA -1.371 60.285 62.100 -0.739 0.000 0.979 7 T CB 1.574 70.222 68.868 -0.367 0.000 0.967 7 T HN 0.269 nan 8.240 nan 0.000 0.441 8 P HA 0.236 nan 4.420 nan 0.000 0.266 8 P C -0.545 176.555 177.300 -0.334 0.000 1.215 8 P CA -0.227 62.590 63.100 -0.471 0.000 0.763 8 P CB 0.334 31.912 31.700 -0.204 0.000 0.806 9 L N 3.799 124.839 121.223 -0.304 0.000 2.379 9 L HA 0.470 4.809 4.340 -0.002 0.000 0.269 9 L C 1.024 177.792 176.870 -0.171 0.000 1.084 9 L CA -0.588 54.095 54.840 -0.263 0.000 0.802 9 L CB 0.917 42.770 42.059 -0.342 0.000 1.175 9 L HN 0.445 nan 8.230 nan 0.000 0.448 10 N N -0.707 117.889 118.700 -0.173 0.000 3.091 10 N HA 0.187 4.926 4.740 -0.002 0.000 0.329 10 N C 0.166 175.553 175.510 -0.206 0.000 1.430 10 N CA -0.857 52.162 53.050 -0.052 0.000 0.755 10 N CB 0.431 38.922 38.487 0.007 0.000 1.626 10 N HN 0.443 nan 8.380 nan 0.000 0.614 11 E N -0.808 119.383 120.200 -0.016 0.000 2.209 11 E HA -0.234 4.115 4.350 -0.002 0.000 0.196 11 E C 1.004 177.544 176.600 -0.100 0.000 0.993 11 E CA 1.592 57.959 56.400 -0.055 0.000 0.819 11 E CB -0.075 29.684 29.700 0.098 0.000 0.745 11 E HN 0.722 nan 8.360 nan 0.000 0.477 12 K N -0.318 120.035 120.400 -0.079 0.000 2.313 12 K HA 0.059 4.378 4.320 -0.002 0.000 0.197 12 K C 2.050 178.602 176.600 -0.081 0.000 1.061 12 K CA 0.882 57.130 56.287 -0.066 0.000 0.980 12 K CB 0.100 32.579 32.500 -0.035 0.000 0.888 12 K HN -0.011 nan 8.250 nan 0.000 0.502 13 S N 1.151 116.791 115.700 -0.100 0.000 2.447 13 S HA -0.090 4.379 4.470 -0.002 0.000 0.233 13 S C 1.927 176.465 174.600 -0.103 0.000 1.006 13 S CA 0.645 58.788 58.200 -0.096 0.000 0.957 13 S CB -0.393 62.742 63.200 -0.110 0.000 0.773 13 S HN 0.282 nan 8.310 nan 0.000 0.507 14 L N 2.179 123.294 121.223 -0.181 0.000 2.083 14 L HA 0.019 4.358 4.340 -0.002 0.000 0.209 14 L C 2.381 179.211 176.870 -0.068 0.000 1.083 14 L CA 1.258 55.986 54.840 -0.187 0.000 0.752 14 L CB -0.891 40.910 42.059 -0.431 0.000 0.899 14 L HN 0.204 nan 8.230 nan 0.000 0.433 15 V N 0.215 120.082 119.914 -0.080 0.000 2.250 15 V HA -0.383 3.736 4.120 -0.002 0.000 0.250 15 V C 2.319 178.390 176.094 -0.038 0.000 1.060 15 V CA 2.308 64.577 62.300 -0.052 0.000 1.030 15 V CB -0.866 30.928 31.823 -0.049 0.000 0.643 15 V HN 0.508 nan 8.190 nan 0.000 0.445 16 D N -1.463 118.919 120.400 -0.030 0.000 2.117 16 D HA -0.195 4.444 4.640 -0.002 0.000 0.198 16 D C 1.979 178.264 176.300 -0.025 0.000 0.982 16 D CA 1.662 55.644 54.000 -0.030 0.000 0.828 16 D CB -0.259 40.526 40.800 -0.024 0.000 0.967 16 D HN 0.596 nan 8.370 nan 0.000 0.464 17 Y N 1.872 122.112 120.300 -0.100 0.000 2.097 17 Y HA -0.212 4.337 4.550 -0.002 0.000 0.282 17 Y C 2.311 178.157 175.900 -0.091 0.000 1.152 17 Y CA 1.292 59.335 58.100 -0.096 0.000 1.136 17 Y CB -0.485 37.910 38.460 -0.109 0.000 0.975 17 Y HN -0.140 nan 8.280 nan 0.000 0.498 18 I N 0.391 120.899 120.570 -0.103 0.000 2.127 18 I HA -0.377 3.792 4.170 -0.002 0.000 0.241 18 I C 2.404 178.392 176.117 -0.216 0.000 1.075 18 I CA 1.881 63.080 61.300 -0.169 0.000 1.334 18 I CB -0.458 37.515 38.000 -0.045 0.000 1.040 18 I HN 0.189 nan 8.210 nan 0.000 0.405 19 K N 0.338 120.648 120.400 -0.150 0.000 2.152 19 K HA -0.134 4.185 4.320 -0.002 0.000 0.206 19 K C 1.982 178.484 176.600 -0.164 0.000 1.048 19 K CA 1.687 57.895 56.287 -0.131 0.000 0.933 19 K CB -0.186 32.261 32.500 -0.089 0.000 0.721 19 K HN 0.257 nan 8.250 nan 0.000 0.447 20 S N 0.238 115.808 115.700 -0.216 0.000 2.603 20 S HA 0.002 4.471 4.470 -0.002 0.000 0.220 20 S C 0.358 174.778 174.600 -0.301 0.000 0.967 20 S CA 0.446 58.511 58.200 -0.224 0.000 0.920 20 S CB 0.418 63.496 63.200 -0.203 0.000 0.773 20 S HN 0.152 nan 8.310 nan 0.000 0.529 21 T N 3.367 117.685 114.554 -0.392 0.000 2.963 21 T HA 0.281 4.630 4.350 -0.002 0.000 0.343 21 T C -2.166 172.343 174.700 -0.319 0.000 1.146 21 T CA -1.431 60.402 62.100 -0.445 0.000 1.016 21 T CB 1.670 70.088 68.868 -0.751 0.000 1.046 21 T HN -0.087 nan 8.240 nan 0.000 0.496 22 P HA -0.156 nan 4.420 nan 0.000 0.215 22 P C 1.641 178.845 177.300 -0.159 0.000 1.157 22 P CA 0.944 63.950 63.100 -0.157 0.000 0.874 22 P CB 0.153 31.787 31.700 -0.109 0.000 0.790 23 A N -1.012 121.697 122.820 -0.185 0.000 1.948 23 A HA -0.195 4.124 4.320 -0.002 0.000 0.220 23 A C 2.203 179.700 177.584 -0.144 0.000 1.177 23 A CA 1.721 53.677 52.037 -0.135 0.000 0.636 23 A CB -1.584 17.370 19.000 -0.078 0.000 0.815 23 A HN 0.155 nan 8.150 nan 0.000 0.449 24 L N -0.467 120.623 121.223 -0.223 0.000 2.168 24 L HA -0.067 4.272 4.340 -0.002 0.000 0.203 24 L C 2.985 179.788 176.870 -0.111 0.000 1.078 24 L CA 1.150 55.916 54.840 -0.124 0.000 0.780 24 L CB -0.459 41.531 42.059 -0.115 0.000 0.939 24 L HN 0.547 nan 8.230 nan 0.000 0.451 25 S N -0.215 115.400 115.700 -0.141 0.000 2.382 25 S HA -0.186 4.283 4.470 -0.002 0.000 0.228 25 S C 2.172 176.715 174.600 -0.095 0.000 1.027 25 S CA 1.234 59.368 58.200 -0.110 0.000 0.991 25 S CB -0.708 62.421 63.200 -0.119 0.000 0.823 25 S HN 0.506 nan 8.310 nan 0.000 0.469 26 S N 2.192 117.829 115.700 -0.105 0.000 2.399 26 S HA -0.017 4.452 4.470 -0.002 0.000 0.231 26 S C 1.809 176.344 174.600 -0.109 0.000 1.022 26 S CA 0.704 58.847 58.200 -0.095 0.000 0.983 26 S CB -0.484 62.662 63.200 -0.090 0.000 0.803 26 S HN 0.397 nan 8.310 nan 0.000 0.480 27 K N 1.321 121.634 120.400 -0.145 0.000 2.288 27 K HA 0.143 4.462 4.320 -0.002 0.000 0.201 27 K C 1.882 178.410 176.600 -0.121 0.000 1.048 27 K CA 1.269 57.434 56.287 -0.203 0.000 0.956 27 K CB -0.229 32.047 32.500 -0.374 0.000 0.746 27 K HN 0.824 nan 8.250 nan 0.000 0.461 28 I N -4.719 115.807 120.570 -0.074 0.000 4.240 28 I HA 0.295 4.464 4.170 -0.002 0.000 0.331 28 I C 0.564 176.661 176.117 -0.033 0.000 1.381 28 I CA -0.155 61.123 61.300 -0.035 0.000 1.136 28 I CB 0.741 38.733 38.000 -0.013 0.000 1.137 28 I HN 0.022 nan 8.210 nan 0.000 0.411 38 V N 3.710 123.624 119.914 0.001 0.000 2.370 38 V HA 0.518 4.637 4.120 -0.002 0.000 0.279 38 V C -0.073 176.027 176.094 0.009 0.000 1.029 38 V CA -0.123 62.181 62.300 0.008 0.000 0.870 38 V CB 1.520 33.349 31.823 0.011 0.000 0.984 38 V HN 0.412 nan 8.190 nan 0.000 0.451 39 I N 5.117 125.703 120.570 0.026 0.000 2.466 39 I HA 0.538 4.707 4.170 -0.002 0.000 0.289 39 I C -0.359 175.825 176.117 0.111 0.000 1.026 39 I CA -0.628 60.708 61.300 0.060 0.000 1.078 39 I CB 1.982 39.998 38.000 0.028 0.000 1.249 39 I HN 0.510 nan 8.210 nan 0.000 0.429 40 K N 5.648 126.130 120.400 0.136 0.000 2.426 40 K HA 0.284 4.603 4.320 -0.002 0.000 0.254 40 K C -0.727 175.964 176.600 0.152 0.000 0.936 40 K CA -0.576 55.788 56.287 0.128 0.000 0.801 40 K CB 1.941 34.475 32.500 0.058 0.000 1.139 40 K HN 0.480 nan 8.250 nan 0.000 0.424 41 E N 3.598 123.870 120.200 0.119 0.000 2.259 41 E HA 0.090 4.439 4.350 -0.002 0.000 0.281 41 E C 0.071 176.615 176.600 -0.093 0.000 1.037 41 E CA 0.034 56.343 56.400 -0.151 0.000 0.854 41 E CB 1.284 30.859 29.700 -0.209 0.000 1.051 41 E HN 0.525 nan 8.360 nan 0.000 0.409 42 V N 1.476 121.315 119.914 -0.126 0.000 3.337 42 V HA 0.409 4.528 4.120 -0.002 0.000 0.307 42 V C 0.738 176.793 176.094 -0.066 0.000 1.505 42 V CA 0.034 62.302 62.300 -0.053 0.000 1.072 42 V CB 0.344 32.166 31.823 -0.002 0.000 0.929 42 V HN 0.501 nan 8.190 nan 0.000 0.455 43 G N 2.724 111.446 108.800 -0.130 0.000 2.307 43 G HA2 0.310 4.269 3.960 -0.002 0.000 0.271 43 G HA3 0.310 4.269 3.960 -0.002 0.000 0.271 43 G C 0.365 175.202 174.900 -0.105 0.000 1.191 43 G CA 0.688 45.711 45.100 -0.128 0.000 1.024 43 G HN 0.678 nan 8.290 nan 0.000 0.441 44 D N 1.909 122.278 120.400 -0.051 0.000 2.424 44 D HA 0.149 4.788 4.640 -0.002 0.000 0.220 44 D C 1.132 177.421 176.300 -0.018 0.000 1.150 44 D CA -0.168 53.813 54.000 -0.030 0.000 0.831 44 D CB 0.185 40.985 40.800 -0.001 0.000 0.981 44 D HN 0.397 nan 8.370 nan 0.000 0.500 45 G N 0.023 108.805 108.800 -0.029 0.000 2.543 45 G HA2 0.110 4.069 3.960 -0.002 0.000 0.290 45 G HA3 0.110 4.069 3.960 -0.002 0.000 0.290 45 G C 0.736 175.616 174.900 -0.035 0.000 1.310 45 G CA -0.573 44.528 45.100 0.001 0.000 1.025 45 G HN -0.026 nan 8.290 nan 0.000 0.502 46 N N -1.195 117.503 118.700 -0.003 0.000 2.415 46 N HA 0.023 4.762 4.740 -0.002 0.000 0.176 46 N C 1.640 177.115 175.510 -0.058 0.000 1.042 46 N CA 0.407 53.442 53.050 -0.025 0.000 0.902 46 N CB 0.395 38.879 38.487 -0.005 0.000 0.986 46 N HN 0.220 nan 8.380 nan 0.000 0.447 47 L N -0.616 120.573 121.223 -0.058 0.000 2.624 47 L HA 0.261 4.600 4.340 -0.002 0.000 0.222 47 L C 0.219 177.000 176.870 -0.148 0.000 1.046 47 L CA 0.503 55.295 54.840 -0.080 0.000 0.872 47 L CB 0.239 42.288 42.059 -0.018 0.000 1.190 47 L HN -0.045 nan 8.230 nan 0.000 0.487 48 N N -1.595 116.999 118.700 -0.177 0.000 2.577 48 N HA 0.411 5.150 4.740 -0.002 0.000 0.285 48 N C -1.382 173.904 175.510 -0.373 0.000 1.309 48 N CA -0.443 52.514 53.050 -0.153 0.000 0.798 48 N CB 1.453 39.935 38.487 -0.009 0.000 1.463 48 N HN -0.261 nan 8.380 nan 0.000 0.518 49 F N 0.731 120.648 119.950 -0.054 0.000 2.415 49 F HA 0.402 4.928 4.527 -0.002 0.000 0.348 49 F C 0.500 176.175 175.800 -0.210 0.000 1.119 49 F CA -0.846 57.058 58.000 -0.160 0.000 1.069 49 F CB 1.397 40.336 39.000 -0.102 0.000 1.124 49 F HN 0.036 nan 8.300 nan 0.000 0.472 50 V N 2.803 122.568 119.914 -0.247 0.000 2.656 50 V HA 0.692 4.811 4.120 -0.002 0.000 0.307 50 V C -1.516 174.367 176.094 -0.353 0.000 1.051 50 V CA -0.891 61.311 62.300 -0.163 0.000 0.893 50 V CB 1.577 33.383 31.823 -0.028 0.000 0.999 50 V HN 0.532 nan 8.190 nan 0.000 0.426 51 F N 5.047 125.041 119.950 0.073 0.000 2.493 51 F HA 0.644 5.170 4.527 -0.002 0.000 0.329 51 F C 0.186 175.977 175.800 -0.016 0.000 1.126 51 F CA -0.735 57.287 58.000 0.037 0.000 0.937 51 F CB 1.937 40.962 39.000 0.041 0.000 1.146 51 F HN 0.401 nan 8.300 nan 0.000 0.442 52 I N 4.185 124.801 120.570 0.077 0.000 2.416 52 I HA 0.303 4.471 4.170 -0.002 0.000 0.288 52 I C -0.660 175.420 176.117 -0.062 0.000 1.051 52 I CA -0.536 60.680 61.300 -0.139 0.000 1.375 52 I CB 0.791 38.571 38.000 -0.367 0.000 1.407 52 I HN 0.222 nan 8.210 nan 0.000 0.516 53 V N 7.501 127.373 119.914 -0.071 0.000 2.409 53 V HA 0.440 4.558 4.120 -0.002 0.000 0.291 53 V C -0.208 175.864 176.094 -0.036 0.000 1.020 53 V CA -0.633 61.655 62.300 -0.020 0.000 0.848 53 V CB 1.784 33.622 31.823 0.025 0.000 0.990 53 V HN 0.421 nan 8.190 nan 0.000 0.430 54 V N 2.514 122.413 119.914 -0.025 0.000 2.525 54 V HA 0.974 5.093 4.120 -0.002 0.000 0.299 54 V C 0.318 176.413 176.094 0.002 0.000 1.034 54 V CA -0.173 62.126 62.300 -0.002 0.000 0.863 54 V CB 1.334 33.159 31.823 0.003 0.000 0.999 54 V HN 1.301 nan 8.190 nan 0.000 0.423 55 G N 2.690 111.492 108.800 0.003 0.000 3.152 55 G HA2 0.352 4.311 3.960 -0.002 0.000 0.666 55 G HA3 0.352 4.311 3.960 -0.002 0.000 0.666 55 G C 0.289 175.195 174.900 0.009 0.000 1.205 55 G CA 0.247 45.353 45.100 0.009 0.000 1.178 55 G HN 1.178 nan 8.290 nan 0.000 0.510 56 S N 0.122 115.822 115.700 0.000 0.000 2.388 56 S HA 0.373 4.842 4.470 -0.002 0.000 0.223 56 S C 2.031 176.632 174.600 0.001 0.000 1.034 56 S CA 1.963 60.164 58.200 0.000 0.000 0.963 56 S CB 0.143 63.339 63.200 -0.007 0.000 0.827 56 S HN 1.164 nan 8.310 nan 0.000 0.481 57 S N 0.492 116.189 115.700 -0.006 0.000 2.572 57 S HA 0.566 5.034 4.470 -0.002 0.000 0.228 57 S C 0.623 175.220 174.600 -0.004 0.000 0.963 57 S CA 0.147 58.342 58.200 -0.009 0.000 0.939 57 S CB 0.443 63.630 63.200 -0.022 0.000 0.804 57 S HN 1.032 nan 8.310 nan 0.000 0.480 58 G N 1.001 109.808 108.800 0.011 0.000 2.351 58 G HA2 0.412 4.371 3.960 -0.002 0.000 0.279 58 G HA3 0.412 4.371 3.960 -0.002 0.000 0.279 58 G C -1.302 173.634 174.900 0.059 0.000 1.297 58 G CA -0.106 45.014 45.100 0.033 0.000 0.886 58 G HN 0.567 nan 8.290 nan 0.000 0.493 59 S N -1.269 114.494 115.700 0.105 0.000 2.607 59 S HA 0.959 5.428 4.470 -0.002 0.000 0.273 59 S C -1.049 173.676 174.600 0.209 0.000 1.148 59 S CA 0.002 58.283 58.200 0.134 0.000 0.833 59 S CB 2.091 65.403 63.200 0.187 0.000 1.130 59 S HN 2.319 nan 8.310 nan 0.000 0.470 60 L N -1.945 119.386 121.223 0.179 0.000 2.892 60 L HA 0.912 5.251 4.340 -0.002 0.000 0.269 60 L C -1.601 175.367 176.870 0.163 0.000 1.058 60 L CA -1.035 53.972 54.840 0.279 0.000 0.923 60 L CB 0.832 43.114 42.059 0.371 0.000 1.518 60 L HN 0.538 nan 8.230 nan 0.000 0.402 61 V N 1.995 122.026 119.914 0.194 0.000 2.513 61 V HA 0.616 4.735 4.120 -0.002 0.000 0.299 61 V C -0.505 175.700 176.094 0.185 0.000 1.035 61 V CA -0.383 62.010 62.300 0.156 0.000 0.889 61 V CB 1.803 33.720 31.823 0.156 0.000 0.988 61 V HN 0.545 nan 8.190 nan 0.000 0.440 62 I N 4.470 125.176 120.570 0.227 0.000 2.378 62 I HA 0.493 4.662 4.170 -0.002 0.000 0.291 62 I C -0.141 176.157 176.117 0.302 0.000 0.992 62 I CA -0.554 60.903 61.300 0.261 0.000 1.154 62 I CB 1.687 39.836 38.000 0.249 0.000 1.315 62 I HN 0.610 nan 8.210 nan 0.000 0.448 63 K N 6.017 126.559 120.400 0.236 0.000 2.292 63 K HA 0.467 4.786 4.320 -0.002 0.000 0.257 63 K C -0.950 175.786 176.600 0.226 0.000 0.940 63 K CA -0.526 55.889 56.287 0.213 0.000 0.811 63 K CB 1.993 34.581 32.500 0.146 0.000 1.120 63 K HN 0.644 nan 8.250 nan 0.000 0.428 64 Q N 2.639 122.597 119.800 0.263 0.000 2.347 64 Q HA 0.559 4.897 4.340 -0.002 0.000 0.271 64 Q C -1.680 174.478 176.000 0.263 0.000 1.064 64 Q CA -0.845 55.108 55.803 0.250 0.000 0.800 64 Q CB 2.080 30.958 28.738 0.234 0.000 1.304 64 Q HN 0.761 nan 8.270 nan 0.000 0.438 65 A N 4.690 127.637 122.820 0.213 0.000 2.301 65 A HA 0.585 4.904 4.320 -0.002 0.000 0.298 65 A C -0.742 176.920 177.584 0.131 0.000 1.185 65 A CA -0.510 51.608 52.037 0.135 0.000 0.830 65 A CB 0.440 19.474 19.000 0.056 0.000 1.112 65 A HN 0.755 nan 8.150 nan 0.000 0.508 66 L N 2.581 123.834 121.223 0.051 0.000 2.358 66 L HA 0.385 4.724 4.340 -0.002 0.000 0.268 66 L C -1.738 174.981 176.870 -0.251 0.000 1.032 66 L CA -2.017 52.784 54.840 -0.065 0.000 0.805 66 L CB 1.743 43.695 42.059 -0.179 0.000 1.253 66 L HN 0.459 nan 8.230 nan 0.000 0.452 67 P HA 0.039 nan 4.420 nan 0.000 0.263 67 P C -1.380 175.995 177.300 0.126 0.000 1.386 67 P CA 0.606 63.667 63.100 -0.065 0.000 0.797 67 P CB -0.385 31.309 31.700 -0.010 0.000 1.381 68 Y N -3.793 116.561 120.300 0.090 0.000 2.670 68 Y HA 0.497 5.046 4.550 -0.002 0.000 0.334 68 Y C -0.643 175.307 175.900 0.084 0.000 1.185 68 Y CA -2.127 56.043 58.100 0.116 0.000 1.053 68 Y CB 0.460 39.011 38.460 0.152 0.000 1.298 68 Y HN -0.380 nan 8.280 nan 0.000 0.459 69 I N 3.557 124.260 120.570 0.222 0.000 2.421 69 I HA 0.218 4.387 4.170 -0.002 0.000 0.291 69 I C 1.619 177.850 176.117 0.190 0.000 1.089 69 I CA 0.007 61.332 61.300 0.041 0.000 1.354 69 I CB 1.080 38.962 38.000 -0.197 0.000 1.413 69 I HN 0.807 nan 8.210 nan 0.000 0.513 70 R N 5.065 125.594 120.500 0.048 0.000 2.113 70 R HA -0.235 4.104 4.340 -0.002 0.000 0.244 70 R C 2.296 178.656 176.300 0.099 0.000 1.142 70 R CA 2.632 58.778 56.100 0.075 0.000 0.953 70 R CB -0.323 29.818 30.300 -0.265 0.000 0.860 70 R HN 0.949 nan 8.270 nan 0.000 0.438 71 C N -0.566 118.748 119.300 0.023 0.000 2.437 71 C HA 0.106 4.565 4.460 -0.002 0.000 0.283 71 C C 2.176 177.221 174.990 0.091 0.000 1.424 71 C CA -0.319 58.719 59.018 0.034 0.000 1.782 71 C CB -0.740 26.999 27.740 -0.003 0.000 1.833 71 C HN 0.471 nan 8.230 nan 0.000 0.532 72 I N 0.778 121.431 120.570 0.139 0.000 3.445 72 I HA 0.349 4.518 4.170 -0.002 0.000 0.288 72 I C 1.706 177.950 176.117 0.213 0.000 1.198 72 I CA 1.701 63.131 61.300 0.217 0.000 1.417 72 I CB -1.485 36.712 38.000 0.328 0.000 1.205 72 I HN 0.631 nan 8.210 nan 0.000 0.448 73 G N 1.771 110.716 108.800 0.242 0.000 2.582 73 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.222 73 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.222 73 G C 0.303 175.165 174.900 -0.063 0.000 1.311 73 G CA -0.082 45.070 45.100 0.086 0.000 0.915 73 G HN 0.281 nan 8.290 nan 0.000 0.528 74 E N 0.158 120.112 120.200 -0.410 0.000 2.418 74 E HA -0.004 4.345 4.350 -0.002 0.000 0.197 74 E C 2.520 179.106 176.600 -0.022 0.000 1.026 74 E CA 1.119 57.274 56.400 -0.408 0.000 0.862 74 E CB -0.071 29.367 29.700 -0.436 0.000 0.799 74 E HN 0.693 nan 8.360 nan 0.000 0.518 75 S N 0.102 115.836 115.700 0.056 0.000 2.607 75 S HA -0.088 4.381 4.470 -0.002 0.000 0.224 75 S C 0.358 175.077 174.600 0.199 0.000 0.969 75 S CA -0.189 58.076 58.200 0.108 0.000 0.927 75 S CB -0.024 63.236 63.200 0.100 0.000 0.772 75 S HN 0.327 nan 8.310 nan 0.000 0.533 76 W N 3.176 124.536 121.300 0.100 0.000 2.433 76 W HA 0.524 5.183 4.660 -0.002 0.000 0.288 76 W C -3.395 173.209 176.519 0.142 0.000 0.986 76 W CA -3.150 54.258 57.345 0.107 0.000 1.680 76 W CB 0.874 30.385 29.460 0.085 0.000 1.615 76 W HN 0.071 nan 8.180 nan 0.000 0.416 77 P HA 0.112 nan 4.420 nan 0.000 0.268 77 P C -0.525 176.958 177.300 0.303 0.000 1.208 77 P CA 0.262 63.551 63.100 0.316 0.000 0.777 77 P CB 0.767 32.585 31.700 0.196 0.000 0.875 78 M N 1.607 121.315 119.600 0.179 0.000 2.296 78 M HA 0.212 4.691 4.480 -0.002 0.000 0.268 78 M C -0.676 175.634 176.300 0.017 0.000 1.048 78 M CA -0.220 55.132 55.300 0.087 0.000 0.966 78 M CB 1.229 33.843 32.600 0.025 0.000 1.912 78 M HN 0.192 nan 8.290 nan 0.000 0.484 79 T N 2.868 117.426 114.554 0.006 0.000 2.946 79 T HA 0.158 4.507 4.350 -0.002 0.000 0.311 79 T C 1.160 175.826 174.700 -0.057 0.000 1.063 79 T CA 0.703 62.789 62.100 -0.023 0.000 1.139 79 T CB 0.441 69.310 68.868 0.002 0.000 0.994 79 T HN 0.800 nan 8.240 nan 0.000 0.547 80 K N 3.258 123.583 120.400 -0.125 0.000 2.504 80 K HA 0.027 4.346 4.320 -0.002 0.000 0.195 80 K C 1.172 177.751 176.600 -0.035 0.000 1.036 80 K CA 0.587 56.784 56.287 -0.150 0.000 0.984 80 K CB 0.241 32.506 32.500 -0.392 0.000 0.788 80 K HN 0.519 nan 8.250 nan 0.000 0.488 81 E N 2.138 122.344 120.200 0.010 0.000 2.409 81 E HA -0.148 4.201 4.350 -0.002 0.000 0.198 81 E C 1.899 178.625 176.600 0.210 0.000 1.024 81 E CA 0.693 57.147 56.400 0.089 0.000 0.861 81 E CB -0.084 29.675 29.700 0.099 0.000 0.788 81 E HN 0.584 nan 8.360 nan 0.000 0.521 82 R N 0.683 121.292 120.500 0.182 0.000 2.127 82 R HA -0.071 4.268 4.340 -0.002 0.000 0.238 82 R C 2.124 178.518 176.300 0.156 0.000 1.134 82 R CA 1.433 57.657 56.100 0.206 0.000 0.975 82 R CB -0.587 29.711 30.300 -0.004 0.000 0.865 82 R HN 0.035 nan 8.270 nan 0.000 0.447 83 A N 1.069 123.968 122.820 0.131 0.000 1.933 83 A HA -0.220 4.098 4.320 -0.002 0.000 0.218 83 A C 2.047 179.633 177.584 0.004 0.000 1.175 83 A CA 1.279 53.410 52.037 0.157 0.000 0.628 83 A CB -0.805 18.376 19.000 0.302 0.000 0.814 83 A HN 0.615 nan 8.150 nan 0.000 0.444 84 Y N -0.267 119.945 120.300 -0.146 0.000 2.145 84 Y HA -0.218 4.331 4.550 -0.001 0.000 0.286 84 Y C 1.850 177.310 175.900 -0.733 0.000 1.145 84 Y CA 2.006 59.736 58.100 -0.616 0.000 1.148 84 Y CB -0.497 37.639 38.460 -0.540 0.000 0.981 84 Y HN 0.269 nan 8.280 nan 0.000 0.507 85 F N 0.788 120.586 119.950 -0.253 0.000 2.171 85 F HA -0.121 4.405 4.527 -0.002 0.000 0.300 85 F C 2.570 178.249 175.800 -0.201 0.000 1.090 85 F CA 1.714 59.559 58.000 -0.258 0.000 1.293 85 F CB -0.987 38.003 39.000 -0.017 0.000 1.013 85 F HN 0.152 nan 8.300 nan 0.000 0.486 86 E N 0.591 120.768 120.200 -0.037 0.000 2.038 86 E HA -0.247 4.102 4.350 -0.002 0.000 0.195 86 E C 2.372 178.853 176.600 -0.198 0.000 1.000 86 E CA 1.313 57.664 56.400 -0.082 0.000 0.803 86 E CB -0.243 29.433 29.700 -0.040 0.000 0.750 86 E HN 0.300 nan 8.360 nan 0.000 0.448 87 A N 0.110 122.695 122.820 -0.393 0.000 1.902 87 A HA -0.166 4.152 4.320 -0.002 0.000 0.217 87 A C 2.395 179.722 177.584 -0.428 0.000 1.181 87 A CA 2.011 53.766 52.037 -0.470 0.000 0.623 87 A CB -0.964 17.489 19.000 -0.911 0.000 0.818 87 A HN 0.363 nan 8.150 nan 0.000 0.443 88 T N -0.192 114.025 114.554 -0.561 0.000 2.684 88 T HA -0.129 4.220 4.350 -0.002 0.000 0.267 88 T C 1.987 176.609 174.700 -0.131 0.000 1.036 88 T CA 2.089 63.954 62.100 -0.392 0.000 1.148 88 T CB -0.512 68.036 68.868 -0.534 0.000 0.863 88 T HN 0.557 nan 8.240 nan 0.000 0.436 89 T N 2.088 116.589 114.554 -0.088 0.000 2.896 89 T HA 0.163 4.512 4.350 -0.002 0.000 0.263 89 T C 2.026 176.637 174.700 -0.148 0.000 1.050 89 T CA 0.493 62.488 62.100 -0.175 0.000 1.140 89 T CB -0.367 68.340 68.868 -0.267 0.000 0.877 89 T HN 0.211 nan 8.240 nan 0.000 0.457 90 L N 0.592 121.760 121.223 -0.090 0.000 2.043 90 L HA -0.180 4.159 4.340 -0.002 0.000 0.212 90 L C 2.893 179.764 176.870 0.002 0.000 1.075 90 L CA 1.597 56.426 54.840 -0.017 0.000 0.752 90 L CB -0.447 41.586 42.059 -0.043 0.000 0.891 90 L HN 0.188 nan 8.230 nan 0.000 0.432 91 R N -0.237 120.238 120.500 -0.042 0.000 2.066 91 R HA -0.179 4.159 4.340 -0.002 0.000 0.232 91 R C 2.331 178.647 176.300 0.028 0.000 1.131 91 R CA 1.412 57.504 56.100 -0.013 0.000 0.955 91 R CB -0.212 30.063 30.300 -0.042 0.000 0.851 91 R HN 0.128 nan 8.270 nan 0.000 0.432 92 K N 0.273 120.689 120.400 0.028 0.000 2.031 92 K HA -0.108 4.211 4.320 -0.002 0.000 0.205 92 K C 1.737 178.435 176.600 0.164 0.000 1.049 92 K CA 1.624 57.960 56.287 0.082 0.000 0.939 92 K CB -0.173 32.379 32.500 0.087 0.000 0.717 92 K HN 0.351 nan 8.250 nan 0.000 0.438 93 H N -1.436 117.654 119.070 0.033 0.000 2.389 93 H HA -0.022 4.533 4.556 -0.001 0.000 0.299 93 H C 1.897 177.268 175.328 0.072 0.000 1.081 93 H CA 0.597 56.667 56.048 0.037 0.000 1.345 93 H CB 0.060 29.881 29.762 0.097 0.000 1.393 93 H HN 0.471 nan 8.280 nan 0.000 0.520 94 G N 1.219 110.141 108.800 0.203 0.000 2.440 94 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.218 94 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.218 94 G C 1.533 176.474 174.900 0.069 0.000 1.154 94 G CA 0.919 46.092 45.100 0.122 0.000 0.767 94 G HN 0.345 nan 8.290 nan 0.000 0.552 95 N N 0.477 119.210 118.700 0.054 0.000 2.149 95 N HA -0.058 4.681 4.740 -0.002 0.000 0.188 95 N C 2.218 177.721 175.510 -0.011 0.000 1.019 95 N CA 0.814 53.874 53.050 0.017 0.000 0.857 95 N CB -0.327 38.169 38.487 0.014 0.000 0.997 95 N HN 0.345 nan 8.380 nan 0.000 0.426 96 L N -1.292 119.934 121.223 0.006 0.000 2.209 96 L HA 0.092 4.431 4.340 -0.002 0.000 0.207 96 L C 0.827 177.707 176.870 0.016 0.000 1.094 96 L CA 0.586 55.412 54.840 -0.024 0.000 0.790 96 L CB 0.054 42.116 42.059 0.005 0.000 0.932 96 L HN -0.039 nan 8.230 nan 0.000 0.447 97 S N -0.498 115.236 115.700 0.056 0.000 2.235 97 S HA 0.283 4.752 4.470 -0.002 0.000 0.152 97 S C -1.784 172.863 174.600 0.079 0.000 1.649 97 S CA -1.164 57.104 58.200 0.113 0.000 1.277 97 S CB 0.454 63.790 63.200 0.226 0.000 1.299 97 S HN -0.061 nan 8.310 nan 0.000 0.388 98 P HA -0.039 nan 4.420 nan 0.000 0.220 98 P C 0.518 177.747 177.300 -0.117 0.000 1.148 98 P CA 0.948 64.028 63.100 -0.033 0.000 0.803 98 P CB 0.119 31.797 31.700 -0.036 0.000 0.782 99 D N -1.298 118.943 120.400 -0.265 0.000 2.348 99 D HA -0.103 4.536 4.640 -0.002 0.000 0.216 99 D C 1.002 176.889 176.300 -0.687 0.000 0.970 99 D CA 1.048 54.733 54.000 -0.526 0.000 0.889 99 D CB -0.316 40.012 40.800 -0.787 0.000 0.912 99 D HN 0.408 nan 8.370 nan 0.000 0.524 100 H N -1.230 117.820 119.070 -0.034 0.000 2.916 100 H HA 0.320 4.875 4.556 -0.002 0.000 0.262 100 H C -0.370 174.939 175.328 -0.033 0.000 1.178 100 H CA -0.021 55.998 56.048 -0.049 0.000 1.090 100 H CB 1.008 30.769 29.762 -0.002 0.000 1.657 100 H HN -0.145 nan 8.280 nan 0.000 0.601 101 V N 3.183 123.140 119.914 0.072 0.000 2.760 101 V HA 0.277 4.396 4.120 -0.002 0.000 0.309 101 V C -2.304 173.786 176.094 -0.007 0.000 1.077 101 V CA -1.814 60.523 62.300 0.061 0.000 0.910 101 V CB 3.141 35.059 31.823 0.158 0.000 1.008 101 V HN 0.024 nan 8.190 nan 0.000 0.424 102 P HA 0.117 nan 4.420 nan 0.000 0.271 102 P C -0.237 177.005 177.300 -0.098 0.000 1.220 102 P CA -0.014 63.035 63.100 -0.085 0.000 0.768 102 P CB 0.803 32.444 31.700 -0.099 0.000 0.848 103 E N 2.221 122.349 120.200 -0.120 0.000 2.452 103 E HA 0.072 4.421 4.350 -0.002 0.000 0.261 103 E C -0.677 175.754 176.600 -0.282 0.000 0.987 103 E CA -0.265 56.060 56.400 -0.126 0.000 0.926 103 E CB 0.490 30.172 29.700 -0.031 0.000 0.934 103 E HN 0.163 nan 8.360 nan 0.000 0.452 104 V N 6.516 126.346 119.914 -0.142 0.000 2.432 104 V HA 0.012 4.131 4.120 -0.002 0.000 0.275 104 V C 0.028 176.143 176.094 0.035 0.000 1.043 104 V CA -0.271 61.959 62.300 -0.115 0.000 0.925 104 V CB 0.701 32.508 31.823 -0.026 0.000 0.985 104 V HN 0.707 nan 8.190 nan 0.000 0.466 105 Y N 2.446 122.821 120.300 0.126 0.000 2.436 105 Y HA 0.248 4.797 4.550 -0.002 0.000 0.288 105 Y C 0.956 176.991 175.900 0.225 0.000 1.112 105 Y CA 0.176 58.362 58.100 0.143 0.000 1.220 105 Y CB -0.085 38.455 38.460 0.134 0.000 1.073 105 Y HN 0.787 nan 8.280 nan 0.000 0.552 106 H N -1.661 117.567 119.070 0.262 0.000 3.123 106 H HA 0.382 4.937 4.556 -0.002 0.000 0.346 106 H C -2.235 173.263 175.328 0.284 0.000 1.138 106 H CA -1.574 54.612 56.048 0.231 0.000 1.273 106 H CB 1.089 30.974 29.762 0.205 0.000 1.926 106 H HN -0.172 nan 8.280 nan 0.000 0.524 107 F N 4.050 123.681 119.950 -0.531 0.000 2.539 107 F HA 0.391 4.917 4.527 -0.001 0.000 0.318 107 F C -1.452 174.046 175.800 -0.503 0.000 1.135 107 F CA -0.746 57.019 58.000 -0.391 0.000 0.915 107 F CB 1.671 40.573 39.000 -0.162 0.000 1.176 107 F HN 0.560 nan 8.300 nan 0.000 0.440 108 D N 5.878 125.626 120.400 -1.086 0.000 2.453 108 D HA 0.246 4.885 4.640 -0.002 0.000 0.238 108 D C 0.805 176.500 176.300 -1.007 0.000 1.088 108 D CA -0.245 53.320 54.000 -0.725 0.000 0.854 108 D CB 1.341 42.070 40.800 -0.117 0.000 1.076 108 D HN 0.816 nan 8.370 nan 0.000 0.533 109 R N 1.894 121.867 120.500 -0.877 0.000 2.073 109 R HA -0.083 4.256 4.340 -0.002 0.000 0.229 109 R C 1.439 177.625 176.300 -0.191 0.000 1.120 109 R CA 1.486 57.283 56.100 -0.505 0.000 0.967 109 R CB 0.149 30.399 30.300 -0.084 0.000 0.862 109 R HN 0.341 nan 8.270 nan 0.000 0.436 110 T N 0.957 115.437 114.554 -0.123 0.000 2.665 110 T HA -0.152 4.197 4.350 -0.002 0.000 0.268 110 T C 1.600 176.359 174.700 0.098 0.000 1.035 110 T CA 1.397 63.493 62.100 -0.006 0.000 1.151 110 T CB -0.037 68.835 68.868 0.008 0.000 0.862 110 T HN 0.178 nan 8.240 nan 0.000 0.438 111 M N 0.082 119.698 119.600 0.027 0.000 2.595 111 M HA 0.357 4.836 4.480 -0.002 0.000 0.248 111 M C 1.449 177.880 176.300 0.218 0.000 1.119 111 M CA 0.283 55.634 55.300 0.085 0.000 1.079 111 M CB -1.086 31.408 32.600 -0.177 0.000 1.472 111 M HN 0.349 nan 8.290 nan 0.000 0.501 112 A N 1.783 124.645 122.820 0.071 0.000 2.739 112 A HA -0.180 4.139 4.320 -0.002 0.000 0.296 112 A C -0.060 177.604 177.584 0.133 0.000 1.488 112 A CA 0.519 52.619 52.037 0.106 0.000 0.746 112 A CB -2.240 16.825 19.000 0.108 0.000 1.047 112 A HN 0.568 nan 8.150 nan 0.000 0.477 113 L N -0.359 120.862 121.223 -0.003 0.000 2.408 113 L HA 0.874 5.213 4.340 -0.002 0.000 0.268 113 L C -0.555 176.399 176.870 0.140 0.000 0.986 113 L CA -1.025 53.846 54.840 0.053 0.000 0.820 113 L CB 1.641 43.650 42.059 -0.084 0.000 1.303 113 L HN 0.332 nan 8.230 nan 0.000 0.411 114 I N 3.768 124.480 120.570 0.237 0.000 2.465 114 I HA 0.517 4.686 4.170 -0.002 0.000 0.291 114 I C 0.256 176.518 176.117 0.241 0.000 1.014 114 I CA -0.589 60.880 61.300 0.282 0.000 1.093 114 I CB 2.004 40.141 38.000 0.229 0.000 1.267 114 I HN 0.674 nan 8.210 nan 0.000 0.431 115 G N 7.193 116.162 108.800 0.281 0.000 2.372 115 G HA2 0.756 4.715 3.960 -0.002 0.000 0.323 115 G HA3 0.756 4.715 3.960 -0.002 0.000 0.323 115 G C -0.659 174.321 174.900 0.134 0.000 1.152 115 G CA -0.499 44.768 45.100 0.278 0.000 0.906 115 G HN 0.657 nan 8.290 nan 0.000 0.460 116 M N 1.386 120.979 119.600 -0.010 0.000 2.683 116 M HA 0.613 5.092 4.480 -0.002 0.000 0.274 116 M C -0.362 175.666 176.300 -0.454 0.000 1.272 116 M CA -1.162 53.908 55.300 -0.384 0.000 0.833 116 M CB 1.977 34.474 32.600 -0.171 0.000 1.708 116 M HN 0.376 nan 8.290 nan 0.000 0.463 117 R N 1.739 121.839 120.500 -0.667 0.000 2.502 117 R HA 0.027 4.366 4.340 -0.002 0.000 0.292 117 R C -1.530 174.797 176.300 0.044 0.000 0.998 117 R CA 0.051 56.035 56.100 -0.193 0.000 1.056 117 R CB 0.233 30.454 30.300 -0.131 0.000 0.939 117 R HN 0.756 nan 8.270 nan 0.000 0.411 118 Y N 6.082 126.408 120.300 0.043 0.000 2.496 118 Y HA 0.099 4.648 4.550 -0.001 0.000 0.334 118 Y C -0.530 175.352 175.900 -0.030 0.000 1.080 118 Y CA -0.407 57.709 58.100 0.027 0.000 1.355 118 Y CB 0.388 38.894 38.460 0.078 0.000 1.193 118 Y HN 0.494 nan 8.280 nan 0.000 0.523 119 L N 7.634 128.666 121.223 -0.318 0.000 2.385 119 L HA 0.212 4.551 4.340 -0.002 0.000 0.285 119 L C 0.394 176.817 176.870 -0.745 0.000 1.125 119 L CA -0.079 54.402 54.840 -0.599 0.000 0.890 119 L CB -0.057 41.614 42.059 -0.646 0.000 1.251 119 L HN 0.591 nan 8.230 nan 0.000 0.445 120 E N 4.293 124.108 120.200 -0.641 0.000 2.392 120 E HA 0.202 4.551 4.350 -0.002 0.000 0.259 120 E C -2.192 174.329 176.600 -0.130 0.000 1.108 120 E CA -1.949 54.064 56.400 -0.645 0.000 0.916 120 E CB 0.313 29.833 29.700 -0.301 0.000 0.989 120 E HN 0.286 nan 8.360 nan 0.000 0.432 121 P HA -0.053 nan 4.420 nan 0.000 0.265 121 P C -2.022 175.285 177.300 0.012 0.000 1.187 121 P CA -0.523 62.593 63.100 0.027 0.000 0.766 121 P CB -0.024 31.712 31.700 0.060 0.000 0.820 122 P HA 0.104 nan 4.420 nan 0.000 0.253 122 P C -0.514 176.769 177.300 -0.028 0.000 1.459 122 P CA -0.106 62.983 63.100 -0.018 0.000 0.908 122 P CB -0.308 31.374 31.700 -0.030 0.000 1.470 123 H N 1.769 120.824 119.070 -0.024 0.000 3.125 123 H HA 0.117 4.672 4.556 -0.002 0.000 0.310 123 H C 1.015 176.344 175.328 0.002 0.000 0.980 123 H CA 0.753 56.789 56.048 -0.020 0.000 1.422 123 H CB -0.086 29.636 29.762 -0.066 0.000 1.432 123 H HN 0.270 nan 8.280 nan 0.000 0.577 124 I N -0.133 120.504 120.570 0.112 0.000 2.934 124 I HA 0.390 4.558 4.170 -0.002 0.000 0.306 124 I C -0.549 175.600 176.117 0.053 0.000 1.110 124 I CA -1.328 60.022 61.300 0.083 0.000 1.019 124 I CB 1.685 39.729 38.000 0.072 0.000 1.227 124 I HN 0.277 nan 8.210 nan 0.000 0.434 125 I N 3.646 124.245 120.570 0.047 0.000 2.752 125 I HA -0.081 4.088 4.170 -0.002 0.000 0.289 125 I C 1.180 177.299 176.117 0.003 0.000 1.197 125 I CA 0.245 61.563 61.300 0.029 0.000 1.432 125 I CB 0.887 38.914 38.000 0.046 0.000 1.359 125 I HN 0.777 nan 8.210 nan 0.000 0.571 126 L N 8.034 129.238 121.223 -0.032 0.000 2.079 126 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 126 L C 2.568 179.446 176.870 0.013 0.000 1.081 126 L CA 1.826 56.617 54.840 -0.081 0.000 0.752 126 L CB -0.733 41.282 42.059 -0.074 0.000 0.896 126 L HN 0.707 nan 8.230 nan 0.000 0.433 127 R N -0.249 120.271 120.500 0.035 0.000 2.103 127 R HA -0.225 4.114 4.340 -0.002 0.000 0.242 127 R C 2.310 178.623 176.300 0.021 0.000 1.142 127 R CA 2.087 58.207 56.100 0.035 0.000 0.960 127 R CB -0.166 30.159 30.300 0.041 0.000 0.858 127 R HN 0.431 nan 8.270 nan 0.000 0.439 128 K N -0.978 119.437 120.400 0.024 0.000 2.057 128 K HA -0.088 4.231 4.320 -0.002 0.000 0.207 128 K C 2.064 178.679 176.600 0.025 0.000 1.049 128 K CA 1.337 57.632 56.287 0.012 0.000 0.931 128 K CB -0.270 32.245 32.500 0.024 0.000 0.714 128 K HN 0.379 nan 8.250 nan 0.000 0.440 129 G N 1.400 110.259 108.800 0.098 0.000 2.418 129 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.217 129 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.217 129 G C 1.487 176.499 174.900 0.187 0.000 1.158 129 G CA 0.557 45.792 45.100 0.225 0.000 0.771 129 G HN 0.088 nan 8.290 nan 0.000 0.545 130 L N 0.004 121.353 121.223 0.210 0.000 2.046 130 L HA 0.001 4.340 4.340 -0.002 0.000 0.208 130 L C 2.810 179.692 176.870 0.020 0.000 1.077 130 L CA 0.650 55.640 54.840 0.250 0.000 0.747 130 L CB -0.310 41.878 42.059 0.215 0.000 0.896 130 L HN 0.184 nan 8.230 nan 0.000 0.432 131 I N -0.092 120.410 120.570 -0.114 0.000 2.286 131 I HA -0.259 3.910 4.170 -0.002 0.000 0.248 131 I C 2.535 178.434 176.117 -0.363 0.000 1.115 131 I CA 1.206 62.294 61.300 -0.353 0.000 1.392 131 I CB -0.365 37.442 38.000 -0.321 0.000 1.065 131 I HN 0.184 nan 8.210 nan 0.000 0.418 132 A N 0.330 123.010 122.820 -0.234 0.000 2.206 132 A HA 0.236 4.554 4.320 -0.002 0.000 0.211 132 A C 1.798 179.152 177.584 -0.384 0.000 1.158 132 A CA 0.770 52.665 52.037 -0.238 0.000 0.761 132 A CB -0.777 18.137 19.000 -0.143 0.000 0.801 132 A HN 0.580 nan 8.150 nan 0.000 0.473 133 G N -0.668 107.758 108.800 -0.623 0.000 2.225 133 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.264 133 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.264 133 G C -0.065 174.160 174.900 -1.125 0.000 1.060 133 G CA 0.365 44.655 45.100 -1.349 0.000 0.833 133 G HN 0.489 nan 8.290 nan 0.000 0.498 134 I N 0.534 120.712 120.570 -0.653 0.000 2.331 134 I HA 0.308 4.477 4.170 -0.002 0.000 0.292 134 I C 0.637 176.367 176.117 -0.644 0.000 0.998 134 I CA -0.626 60.345 61.300 -0.548 0.000 1.267 134 I CB 1.126 38.838 38.000 -0.480 0.000 1.386 134 I HN 0.148 nan 8.210 nan 0.000 0.476 135 E N 5.510 125.223 120.200 -0.812 0.000 2.331 135 E HA 0.258 4.607 4.350 -0.002 0.000 0.272 135 E C -1.543 174.458 176.600 -0.998 0.000 1.036 135 E CA -0.350 55.276 56.400 -1.291 0.000 0.864 135 E CB 1.056 30.003 29.700 -1.255 0.000 1.035 135 E HN 0.370 nan 8.360 nan 0.000 0.408 136 Y N 2.059 122.198 120.300 -0.270 0.000 2.555 136 Y HA 0.217 4.766 4.550 -0.002 0.000 0.326 136 Y C -1.843 174.206 175.900 0.249 0.000 0.984 136 Y CA -2.287 55.878 58.100 0.110 0.000 1.298 136 Y CB 1.298 39.891 38.460 0.221 0.000 1.094 136 Y HN 0.493 nan 8.280 nan 0.000 0.500 137 P HA -0.084 nan 4.420 nan 0.000 0.226 137 P C 0.565 177.763 177.300 -0.171 0.000 1.153 137 P CA 1.361 64.476 63.100 0.024 0.000 0.777 137 P CB 0.112 31.724 31.700 -0.147 0.000 0.794 138 F N -2.333 117.621 119.950 0.007 0.000 2.678 138 F HA 0.192 4.719 4.527 -0.000 0.000 0.305 138 F C 1.821 177.451 175.800 -0.283 0.000 1.090 138 F CA -0.247 57.597 58.000 -0.260 0.000 1.272 138 F CB -0.416 38.224 39.000 -0.600 0.000 1.060 138 F HN -0.207 nan 8.300 nan 0.000 0.576 139 L N 0.847 122.164 121.223 0.156 0.000 2.017 139 L HA -0.128 4.211 4.340 -0.002 0.000 0.208 139 L C 2.480 179.405 176.870 0.091 0.000 1.073 139 L CA 2.103 57.044 54.840 0.168 0.000 0.745 139 L CB -0.874 41.380 42.059 0.325 0.000 0.894 139 L HN 0.101 nan 8.230 nan 0.000 0.432 140 A N -0.908 121.948 122.820 0.061 0.000 1.902 140 A HA -0.271 4.048 4.320 -0.002 0.000 0.217 140 A C 2.102 179.706 177.584 0.034 0.000 1.181 140 A CA 1.835 53.889 52.037 0.028 0.000 0.623 140 A CB -0.989 17.995 19.000 -0.027 0.000 0.818 140 A HN 0.575 nan 8.150 nan 0.000 0.443 141 D N -0.742 119.676 120.400 0.030 0.000 2.103 141 D HA -0.207 4.432 4.640 -0.002 0.000 0.190 141 D C 1.730 178.119 176.300 0.148 0.000 0.997 141 D CA 1.980 56.031 54.000 0.084 0.000 0.833 141 D CB -0.553 40.313 40.800 0.110 0.000 0.961 141 D HN 0.725 nan 8.370 nan 0.000 0.447 142 H N -1.423 117.664 119.070 0.028 0.000 2.326 142 H HA -0.065 4.490 4.556 -0.001 0.000 0.301 142 H C 2.191 177.321 175.328 -0.331 0.000 1.081 142 H CA 0.850 56.765 56.048 -0.222 0.000 1.334 142 H CB 0.102 29.730 29.762 -0.224 0.000 1.385 142 H HN 0.158 nan 8.280 nan 0.000 0.504 143 M N 0.633 120.181 119.600 -0.086 0.000 2.132 143 M HA -0.137 4.342 4.480 -0.002 0.000 0.263 143 M C 2.690 178.957 176.300 -0.054 0.000 1.065 143 M CA 1.236 56.417 55.300 -0.198 0.000 1.122 143 M CB -0.825 31.531 32.600 -0.407 0.000 1.365 143 M HN 0.298 nan 8.290 nan 0.000 0.411 144 S N -0.071 115.643 115.700 0.023 0.000 2.368 144 S HA -0.190 4.279 4.470 -0.002 0.000 0.225 144 S C 1.730 176.415 174.600 0.141 0.000 1.030 144 S CA 1.707 59.981 58.200 0.123 0.000 0.999 144 S CB -0.608 62.653 63.200 0.102 0.000 0.844 144 S HN 0.403 nan 8.310 nan 0.000 0.459 145 D N 0.542 120.992 120.400 0.084 0.000 2.097 145 D HA -0.168 4.471 4.640 -0.002 0.000 0.195 145 D C 1.800 178.154 176.300 0.090 0.000 0.989 145 D CA 1.450 55.499 54.000 0.083 0.000 0.827 145 D CB -0.602 40.270 40.800 0.121 0.000 0.966 145 D HN 0.537 nan 8.370 nan 0.000 0.456 146 Y N 0.602 120.862 120.300 -0.065 0.000 2.097 146 Y HA -0.232 4.317 4.550 -0.002 0.000 0.282 146 Y C 2.343 178.218 175.900 -0.041 0.000 1.152 146 Y CA 2.022 60.082 58.100 -0.067 0.000 1.136 146 Y CB -0.330 38.024 38.460 -0.176 0.000 0.975 146 Y HN -0.012 nan 8.280 nan 0.000 0.498 147 M N -0.402 119.212 119.600 0.024 0.000 2.132 147 M HA -0.174 4.305 4.480 -0.002 0.000 0.263 147 M C 2.515 178.954 176.300 0.231 0.000 1.065 147 M CA 1.547 56.848 55.300 0.001 0.000 1.122 147 M CB -0.619 31.966 32.600 -0.024 0.000 1.365 147 M HN 0.454 nan 8.290 nan 0.000 0.411 148 A N 0.744 123.780 122.820 0.360 0.000 1.883 148 A HA -0.180 4.139 4.320 -0.002 0.000 0.217 148 A C 2.215 179.811 177.584 0.020 0.000 1.186 148 A CA 1.624 53.788 52.037 0.212 0.000 0.624 148 A CB -0.479 18.479 19.000 -0.071 0.000 0.822 148 A HN 0.320 nan 8.150 nan 0.000 0.444 149 K N -0.536 119.834 120.400 -0.050 0.000 2.025 149 K HA -0.106 4.213 4.320 -0.002 0.000 0.207 149 K C 2.325 178.910 176.600 -0.024 0.000 1.049 149 K CA 1.912 58.191 56.287 -0.012 0.000 0.933 149 K CB -1.050 31.488 32.500 0.064 0.000 0.714 149 K HN 0.747 nan 8.250 nan 0.000 0.438 150 T N -0.024 114.364 114.554 -0.276 0.000 2.821 150 T HA -0.042 4.307 4.350 -0.002 0.000 0.267 150 T C 2.210 176.764 174.700 -0.242 0.000 1.046 150 T CA 0.861 62.674 62.100 -0.478 0.000 1.139 150 T CB -0.338 67.758 68.868 -1.286 0.000 0.871 150 T HN 0.048 nan 8.240 nan 0.000 0.454 151 L N -1.076 120.093 121.223 -0.089 0.000 2.127 151 L HA 0.259 4.598 4.340 -0.002 0.000 0.203 151 L C 2.447 179.377 176.870 0.100 0.000 1.080 151 L CA 0.796 55.677 54.840 0.067 0.000 0.768 151 L CB -0.597 41.604 42.059 0.236 0.000 0.924 151 L HN 0.155 nan 8.230 nan 0.000 0.444 152 F N 0.724 120.607 119.950 -0.112 0.000 2.075 152 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 152 F C 2.047 177.565 175.800 -0.470 0.000 1.113 152 F CA 1.617 59.298 58.000 -0.532 0.000 1.218 152 F CB -0.207 38.115 39.000 -1.130 0.000 0.984 152 F HN -0.112 nan 8.300 nan 0.000 0.472 153 F N 0.244 120.054 119.950 -0.234 0.000 2.748 153 F HA 0.009 4.536 4.527 -0.001 0.000 0.299 153 F C 2.234 177.824 175.800 -0.349 0.000 1.154 153 F CA 1.197 58.973 58.000 -0.373 0.000 1.446 153 F CB -1.064 37.730 39.000 -0.343 0.000 1.112 153 F HN 0.090 nan 8.300 nan 0.000 0.584 154 T N -3.831 110.613 114.554 -0.183 0.000 3.129 154 T HA 0.222 4.571 4.350 -0.002 0.000 0.267 154 T C 0.650 175.210 174.700 -0.233 0.000 1.018 154 T CA 0.119 62.051 62.100 -0.280 0.000 0.903 154 T CB -0.491 68.368 68.868 -0.014 0.000 1.067 154 T HN 0.081 nan 8.240 nan 0.000 0.549 155 S N 0.528 116.050 115.700 -0.297 0.000 2.745 155 S HA 0.575 5.044 4.470 -0.002 0.000 0.292 155 S C 0.894 175.316 174.600 -0.297 0.000 1.133 155 S CA -1.009 57.092 58.200 -0.166 0.000 0.998 155 S CB 0.867 63.945 63.200 -0.204 0.000 1.087 155 S HN 0.209 nan 8.310 nan 0.000 0.551 156 L N 0.710 121.733 121.223 -0.334 0.000 2.622 156 L HA 0.105 4.444 4.340 -0.002 0.000 0.233 156 L C 1.610 178.292 176.870 -0.313 0.000 1.156 156 L CA 0.298 54.940 54.840 -0.329 0.000 0.866 156 L CB -0.692 41.156 42.059 -0.351 0.000 0.980 156 L HN 0.667 nan 8.230 nan 0.000 0.448 157 L N -1.783 119.145 121.223 -0.491 0.000 2.376 157 L HA -0.171 4.168 4.340 -0.002 0.000 0.219 157 L C 1.955 178.489 176.870 -0.560 0.000 1.133 157 L CA 1.121 55.544 54.840 -0.695 0.000 0.816 157 L CB -0.228 41.089 42.059 -1.237 0.000 0.933 157 L HN 0.311 nan 8.230 nan 0.000 0.449 158 Y N -1.664 118.274 120.300 -0.603 0.000 2.731 158 Y HA 0.207 4.756 4.550 -0.002 0.000 0.269 158 Y C 1.133 177.008 175.900 -0.041 0.000 1.156 158 Y CA -0.598 57.322 58.100 -0.299 0.000 1.191 158 Y CB 0.392 38.676 38.460 -0.294 0.000 1.382 158 Y HN 0.014 nan 8.280 nan 0.000 0.477 159 H N 2.278 121.318 119.070 -0.049 0.000 2.815 159 H HA 0.130 4.686 4.556 -0.001 0.000 0.350 159 H C -0.338 174.919 175.328 -0.119 0.000 1.080 159 H CA -0.136 55.890 56.048 -0.038 0.000 1.433 159 H CB 0.588 30.429 29.762 0.132 0.000 1.432 159 H HN 0.349 nan 8.280 nan 0.000 0.592 160 D N 0.506 120.913 120.400 0.012 0.000 2.377 160 D HA -0.061 4.578 4.640 -0.002 0.000 0.245 160 D C 1.278 177.578 176.300 0.000 0.000 1.196 160 D CA -0.353 53.632 54.000 -0.026 0.000 0.962 160 D CB 0.586 41.360 40.800 -0.045 0.000 1.127 160 D HN 0.603 nan 8.370 nan 0.000 0.471 161 T N -3.234 111.310 114.554 -0.015 0.000 3.035 161 T HA -0.099 4.250 4.350 -0.002 0.000 0.268 161 T C 1.590 176.296 174.700 0.010 0.000 1.109 161 T CA 1.155 63.261 62.100 0.009 0.000 1.119 161 T CB -0.819 68.044 68.868 -0.009 0.000 0.900 161 T HN 0.421 nan 8.240 nan 0.000 0.503 162 T N 2.962 117.506 114.554 -0.017 0.000 2.674 162 T HA -0.128 4.221 4.350 -0.002 0.000 0.265 162 T C 1.991 176.655 174.700 -0.061 0.000 1.039 162 T CA 1.734 63.815 62.100 -0.032 0.000 1.150 162 T CB -0.344 68.505 68.868 -0.032 0.000 0.864 162 T HN 0.815 nan 8.240 nan 0.000 0.427 163 E N 0.656 120.801 120.200 -0.091 0.000 2.106 163 E HA -0.232 4.117 4.350 -0.002 0.000 0.192 163 E C 2.058 178.491 176.600 -0.279 0.000 0.984 163 E CA 1.333 57.623 56.400 -0.183 0.000 0.806 163 E CB -0.503 29.056 29.700 -0.234 0.000 0.750 163 E HN 0.555 nan 8.360 nan 0.000 0.458 164 H N 1.488 120.374 119.070 -0.306 0.000 2.321 164 H HA 0.022 4.577 4.556 -0.002 0.000 0.300 164 H C 2.197 177.363 175.328 -0.271 0.000 1.087 164 H CA 2.154 58.043 56.048 -0.265 0.000 1.319 164 H CB 0.166 29.898 29.762 -0.049 0.000 1.379 164 H HN 0.030 nan 8.280 nan 0.000 0.501 165 R N -0.079 120.371 120.500 -0.082 0.000 2.096 165 R HA -0.102 4.237 4.340 -0.002 0.000 0.235 165 R C 2.513 178.731 176.300 -0.137 0.000 1.127 165 R CA 1.161 57.199 56.100 -0.104 0.000 0.968 165 R CB -0.203 30.076 30.300 -0.036 0.000 0.861 165 R HN 0.322 nan 8.270 nan 0.000 0.440 166 R N 0.593 121.016 120.500 -0.128 0.000 2.091 166 R HA -0.129 4.210 4.340 -0.002 0.000 0.238 166 R C 2.169 178.404 176.300 -0.108 0.000 1.136 166 R CA 1.624 57.665 56.100 -0.097 0.000 0.959 166 R CB -0.180 30.071 30.300 -0.081 0.000 0.856 166 R HN 0.212 nan 8.270 nan 0.000 0.437 167 A N -0.047 122.641 122.820 -0.220 0.000 1.898 167 A HA -0.072 4.247 4.320 -0.002 0.000 0.216 167 A C 2.237 179.694 177.584 -0.212 0.000 1.181 167 A CA 1.284 53.206 52.037 -0.190 0.000 0.620 167 A CB -0.452 18.317 19.000 -0.385 0.000 0.819 167 A HN 0.207 nan 8.150 nan 0.000 0.442 168 V N -0.020 119.588 119.914 -0.510 0.000 2.287 168 V HA -0.271 3.848 4.120 -0.002 0.000 0.248 168 V C 2.759 178.850 176.094 -0.004 0.000 1.053 168 V CA 2.574 64.720 62.300 -0.257 0.000 1.027 168 V CB -1.350 30.315 31.823 -0.263 0.000 0.646 168 V HN 0.612 nan 8.190 nan 0.000 0.447 169 T N -0.579 113.956 114.554 -0.032 0.000 2.665 169 T HA -0.298 4.050 4.350 -0.002 0.000 0.268 169 T C 1.868 176.601 174.700 0.056 0.000 1.035 169 T CA 2.066 64.172 62.100 0.010 0.000 1.151 169 T CB -0.259 68.603 68.868 -0.010 0.000 0.862 169 T HN 0.685 nan 8.240 nan 0.000 0.438 170 E N -0.085 120.164 120.200 0.082 0.000 2.051 170 E HA -0.112 4.237 4.350 -0.002 0.000 0.192 170 E C 1.634 178.308 176.600 0.123 0.000 0.991 170 E CA 1.118 57.574 56.400 0.093 0.000 0.799 170 E CB -0.202 29.535 29.700 0.062 0.000 0.748 170 E HN 0.542 nan 8.360 nan 0.000 0.449 171 F N -0.023 120.045 119.950 0.197 0.000 2.661 171 F HA -0.020 4.506 4.527 -0.001 0.000 0.298 171 F C 2.167 177.920 175.800 -0.079 0.000 1.137 171 F CA 0.050 58.115 58.000 0.109 0.000 1.454 171 F CB 0.069 39.222 39.000 0.254 0.000 1.103 171 F HN 0.212 nan 8.300 nan 0.000 0.577 172 C N 0.063 119.428 119.300 0.107 0.000 2.419 172 C HA -0.121 4.338 4.460 -0.002 0.000 0.283 172 C C 3.017 177.958 174.990 -0.082 0.000 1.373 172 C CA 1.311 60.330 59.018 0.001 0.000 1.781 172 C CB -1.751 26.002 27.740 0.021 0.000 1.886 172 C HN 0.651 nan 8.230 nan 0.000 0.520 173 G N 0.251 109.009 108.800 -0.071 0.000 2.498 173 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.219 173 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.219 173 G C 1.231 175.948 174.900 -0.305 0.000 1.119 173 G CA 0.539 45.635 45.100 -0.007 0.000 0.766 173 G HN 0.544 nan 8.290 nan 0.000 0.552 174 N N 0.316 118.522 118.700 -0.822 0.000 2.346 174 N HA 0.062 4.801 4.740 -0.002 0.000 0.225 174 N C 1.749 177.039 175.510 -0.366 0.000 1.144 174 N CA -0.137 52.435 53.050 -0.798 0.000 0.837 174 N CB 0.295 38.165 38.487 -1.027 0.000 1.069 174 N HN 0.050 nan 8.380 nan 0.000 0.487 175 V N -0.072 119.698 119.914 -0.241 0.000 2.490 175 V HA -0.181 3.938 4.120 -0.002 0.000 0.250 175 V C 1.719 177.745 176.094 -0.113 0.000 1.061 175 V CA 1.837 64.032 62.300 -0.175 0.000 1.064 175 V CB -0.106 31.655 31.823 -0.103 0.000 0.670 175 V HN 0.377 nan 8.190 nan 0.000 0.461 176 E N -0.241 119.912 120.200 -0.079 0.000 2.077 176 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 176 E C 2.205 178.791 176.600 -0.024 0.000 0.989 176 E CA 1.628 58.015 56.400 -0.022 0.000 0.800 176 E CB -0.166 29.534 29.700 0.000 0.000 0.746 176 E HN 0.573 nan 8.360 nan 0.000 0.452 177 L N 0.238 121.394 121.223 -0.111 0.000 2.109 177 L HA -0.154 4.185 4.340 -0.002 0.000 0.207 177 L C 2.552 179.469 176.870 0.077 0.000 1.086 177 L CA 0.450 55.200 54.840 -0.150 0.000 0.760 177 L CB -0.240 41.519 42.059 -0.501 0.000 0.910 177 L HN 0.313 nan 8.230 nan 0.000 0.437 178 C N -0.161 119.110 119.300 -0.048 0.000 2.413 178 C HA -0.157 4.302 4.460 -0.002 0.000 0.276 178 C C 2.896 177.971 174.990 0.142 0.000 1.248 178 C CA 0.723 59.719 59.018 -0.036 0.000 1.742 178 C CB -0.939 26.541 27.740 -0.434 0.000 2.017 178 C HN 0.438 nan 8.230 nan 0.000 0.481 179 R N 0.055 120.603 120.500 0.080 0.000 2.096 179 R HA -0.120 4.219 4.340 -0.002 0.000 0.235 179 R C 2.071 178.486 176.300 0.190 0.000 1.127 179 R CA 1.105 57.279 56.100 0.124 0.000 0.968 179 R CB -0.537 29.819 30.300 0.092 0.000 0.861 179 R HN 0.421 nan 8.270 nan 0.000 0.440 180 L N 0.738 122.090 121.223 0.214 0.000 2.012 180 L HA -0.165 4.174 4.340 -0.002 0.000 0.210 180 L C 1.875 178.881 176.870 0.227 0.000 1.073 180 L CA 2.017 57.005 54.840 0.246 0.000 0.748 180 L CB -0.805 41.381 42.059 0.210 0.000 0.891 180 L HN 0.067 nan 8.230 nan 0.000 0.431 181 T N -0.558 114.152 114.554 0.259 0.000 2.746 181 T HA -0.191 4.158 4.350 -0.002 0.000 0.267 181 T C 1.684 176.459 174.700 0.125 0.000 1.039 181 T CA 1.681 63.865 62.100 0.139 0.000 1.142 181 T CB -0.269 68.668 68.868 0.115 0.000 0.866 181 T HN 0.450 nan 8.240 nan 0.000 0.444 182 E N 0.829 121.137 120.200 0.180 0.000 2.097 182 E HA -0.223 4.126 4.350 -0.002 0.000 0.196 182 E C 2.361 179.114 176.600 0.255 0.000 1.000 182 E CA 1.202 57.745 56.400 0.238 0.000 0.804 182 E CB -0.117 29.694 29.700 0.185 0.000 0.740 182 E HN 0.530 nan 8.360 nan 0.000 0.454 183 Q N 0.499 120.426 119.800 0.211 0.000 1.994 183 Q HA -0.139 4.200 4.340 -0.002 0.000 0.198 183 Q C 2.439 178.551 176.000 0.186 0.000 0.976 183 Q CA 2.003 57.930 55.803 0.205 0.000 0.828 183 Q CB 0.115 28.987 28.738 0.222 0.000 0.894 183 Q HN 0.346 nan 8.270 nan 0.000 0.432 184 V N -2.131 117.871 119.914 0.147 0.000 2.591 184 V HA -0.057 4.061 4.120 -0.002 0.000 0.249 184 V C 2.028 178.132 176.094 0.017 0.000 1.053 184 V CA 1.188 63.542 62.300 0.090 0.000 1.068 184 V CB -0.230 31.621 31.823 0.047 0.000 0.689 184 V HN 0.196 nan 8.190 nan 0.000 0.462 185 V N -0.724 119.154 119.914 -0.061 0.000 2.426 185 V HA 0.124 4.243 4.120 -0.002 0.000 0.242 185 V C 2.162 178.095 176.094 -0.269 0.000 1.036 185 V CA 1.779 63.910 62.300 -0.281 0.000 1.044 185 V CB -0.574 30.907 31.823 -0.570 0.000 0.688 185 V HN 0.501 nan 8.190 nan 0.000 0.462 186 F N -0.517 119.506 119.950 0.123 0.000 2.749 186 F HA 0.218 4.744 4.527 -0.002 0.000 0.300 186 F C 1.949 177.868 175.800 0.198 0.000 1.103 186 F CA 0.476 58.559 58.000 0.138 0.000 1.342 186 F CB 0.282 39.303 39.000 0.036 0.000 1.098 186 F HN 0.040 nan 8.300 nan 0.000 0.586 187 S N -1.120 114.801 115.700 0.368 0.000 3.429 187 S HA -0.007 4.462 4.470 -0.002 0.000 0.237 187 S C 1.212 176.004 174.600 0.321 0.000 1.037 187 S CA -0.023 58.377 58.200 0.332 0.000 0.806 187 S CB -0.109 63.234 63.200 0.238 0.000 0.882 187 S HN 0.045 nan 8.310 nan 0.000 0.556 188 D N 2.412 122.946 120.400 0.224 0.000 2.133 188 D HA -0.040 4.599 4.640 -0.002 0.000 0.195 188 D C -1.140 175.205 176.300 0.074 0.000 0.997 188 D CA 1.367 55.472 54.000 0.175 0.000 0.840 188 D CB -1.577 39.342 40.800 0.199 0.000 0.947 188 D HN 0.301 nan 8.370 nan 0.000 0.452 189 P HA -0.102 nan 4.420 nan 0.000 0.225 189 P C 0.456 177.412 177.300 -0.572 0.000 1.148 189 P CA 0.991 63.851 63.100 -0.401 0.000 0.779 189 P CB -0.179 31.096 31.700 -0.709 0.000 0.780 190 Y N -0.694 119.634 120.300 0.047 0.000 2.524 190 Y HA 0.242 4.790 4.550 -0.002 0.000 0.266 190 Y C 1.305 177.230 175.900 0.042 0.000 1.180 190 Y CA -0.487 57.631 58.100 0.030 0.000 1.244 190 Y CB 0.043 38.524 38.460 0.035 0.000 1.125 190 Y HN -0.043 nan 8.280 nan 0.000 0.524 191 R N -2.193 118.381 120.500 0.122 0.000 2.831 191 R HA 0.694 5.033 4.340 -0.002 0.000 0.266 191 R C -1.551 174.812 176.300 0.105 0.000 1.051 191 R CA -1.116 55.053 56.100 0.115 0.000 0.943 191 R CB 0.953 31.333 30.300 0.132 0.000 1.228 191 R HN -0.209 nan 8.270 nan 0.000 0.467 192 V N 1.256 121.231 119.914 0.102 0.000 2.508 192 V HA 0.337 4.456 4.120 -0.002 0.000 0.281 192 V C -0.186 175.977 176.094 0.116 0.000 1.041 192 V CA 0.294 62.663 62.300 0.115 0.000 1.016 192 V CB 1.034 32.909 31.823 0.086 0.000 0.984 192 V HN 0.743 nan 8.190 nan 0.000 0.478 193 S N 2.487 118.268 115.700 0.134 0.000 2.546 193 S HA 0.309 4.778 4.470 -0.002 0.000 0.272 193 S C 0.911 175.534 174.600 0.039 0.000 1.140 193 S CA 0.016 58.288 58.200 0.120 0.000 0.920 193 S CB 1.977 65.317 63.200 0.234 0.000 1.083 193 S HN 0.995 nan 8.310 nan 0.000 0.476 194 T N 1.945 116.427 114.554 -0.119 0.000 2.977 194 T HA -0.014 4.335 4.350 -0.002 0.000 0.271 194 T C 1.165 175.698 174.700 -0.279 0.000 1.105 194 T CA 1.119 63.068 62.100 -0.253 0.000 1.116 194 T CB -0.618 68.015 68.868 -0.393 0.000 0.878 194 T HN 0.546 nan 8.240 nan 0.000 0.509 195 F N 1.446 121.436 119.950 0.067 0.000 2.512 195 F HA 0.320 4.846 4.527 -0.002 0.000 0.296 195 F C 1.246 177.112 175.800 0.109 0.000 1.110 195 F CA -0.669 57.401 58.000 0.117 0.000 1.446 195 F CB -0.596 38.529 39.000 0.208 0.000 1.092 195 F HN 0.076 nan 8.300 nan 0.000 0.554 196 N N 1.750 120.599 118.700 0.249 0.000 2.479 196 N HA 0.283 5.022 4.740 -0.002 0.000 0.257 196 N C -0.014 175.527 175.510 0.053 0.000 1.232 196 N CA 0.014 53.207 53.050 0.239 0.000 0.920 196 N CB 0.561 39.257 38.487 0.349 0.000 1.105 196 N HN 0.286 nan 8.380 nan 0.000 0.444 197 R N -0.665 119.912 120.500 0.128 0.000 2.680 197 R HA 0.694 5.033 4.340 -0.002 0.000 0.269 197 R C -1.715 174.706 176.300 0.201 0.000 1.026 197 R CA -1.077 54.931 56.100 -0.153 0.000 0.889 197 R CB 1.211 31.394 30.300 -0.195 0.000 1.241 197 R HN 0.644 nan 8.270 nan 0.000 0.463 198 W N -0.997 120.350 121.300 0.078 0.000 3.074 198 W HA 0.487 5.146 4.660 -0.002 0.000 0.332 198 W C -1.374 175.175 176.519 0.051 0.000 1.253 198 W CA -1.212 56.204 57.345 0.120 0.000 1.180 198 W CB 0.551 30.057 29.460 0.076 0.000 1.445 198 W HN 0.437 nan 8.180 nan 0.000 0.573 199 T N 2.766 117.508 114.554 0.313 0.000 2.758 199 T HA 0.291 4.640 4.350 -0.002 0.000 0.281 199 T C -0.208 174.694 174.700 0.336 0.000 0.963 199 T CA 0.674 62.913 62.100 0.232 0.000 1.201 199 T CB 0.075 69.060 68.868 0.195 0.000 0.906 199 T HN 0.558 nan 8.240 nan 0.000 0.528 200 S N 3.260 119.072 115.700 0.186 0.000 2.526 200 S HA 0.557 5.026 4.470 -0.002 0.000 0.293 200 S C -1.566 173.038 174.600 0.006 0.000 1.092 200 S CA -1.586 56.693 58.200 0.133 0.000 0.980 200 S CB 1.493 64.659 63.200 -0.056 0.000 1.048 200 S HN 0.528 nan 8.310 nan 0.000 0.483 201 P HA 0.085 nan 4.420 nan 0.000 0.245 201 P C 0.514 177.780 177.300 -0.057 0.000 1.206 201 P CA 0.311 63.356 63.100 -0.092 0.000 0.781 201 P CB -0.075 31.516 31.700 -0.182 0.000 0.994 202 Y N 0.975 121.330 120.300 0.092 0.000 2.151 202 Y HA -0.145 4.404 4.550 -0.002 0.000 0.284 202 Y C 2.215 178.141 175.900 0.043 0.000 1.166 202 Y CA 1.215 59.349 58.100 0.056 0.000 1.163 202 Y CB -1.046 37.437 38.460 0.039 0.000 0.974 202 Y HN -0.103 nan 8.280 nan 0.000 0.511 203 L N -0.268 121.104 121.223 0.249 0.000 2.700 203 L HA 0.062 4.401 4.340 -0.002 0.000 0.234 203 L C 0.949 177.708 176.870 -0.185 0.000 1.156 203 L CA -0.158 54.708 54.840 0.042 0.000 0.946 203 L CB -0.130 41.955 42.059 0.044 0.000 1.216 203 L HN 0.099 nan 8.230 nan 0.000 0.493 204 D N 0.958 121.390 120.400 0.054 0.000 2.104 204 D HA -0.202 4.437 4.640 -0.002 0.000 0.194 204 D C 1.548 177.755 176.300 -0.155 0.000 0.994 204 D CA 1.479 55.512 54.000 0.056 0.000 0.830 204 D CB 0.111 41.016 40.800 0.176 0.000 0.959 204 D HN 0.255 nan 8.370 nan 0.000 0.452 205 D N 0.402 120.738 120.400 -0.107 0.000 2.144 205 D HA -0.100 4.539 4.640 -0.002 0.000 0.200 205 D C 1.507 177.696 176.300 -0.186 0.000 0.978 205 D CA 0.800 54.731 54.000 -0.116 0.000 0.833 205 D CB -0.401 40.359 40.800 -0.067 0.000 0.961 205 D HN 0.281 nan 8.370 nan 0.000 0.470 206 D N 0.852 121.115 120.400 -0.227 0.000 2.097 206 D HA -0.102 4.537 4.640 -0.002 0.000 0.195 206 D C 2.044 178.119 176.300 -0.375 0.000 0.989 206 D CA 1.651 55.497 54.000 -0.258 0.000 0.827 206 D CB -0.198 40.462 40.800 -0.233 0.000 0.966 206 D HN 0.155 nan 8.370 nan 0.000 0.456 207 A N 0.684 123.117 122.820 -0.644 0.000 1.902 207 A HA -0.225 4.093 4.320 -0.002 0.000 0.217 207 A C 2.016 179.285 177.584 -0.525 0.000 1.181 207 A CA 1.622 53.140 52.037 -0.865 0.000 0.623 207 A CB -0.563 17.192 19.000 -2.074 0.000 0.818 207 A HN 0.122 nan 8.150 nan 0.000 0.443 208 K N -0.282 119.887 120.400 -0.385 0.000 2.057 208 K HA -0.112 4.207 4.320 -0.002 0.000 0.207 208 K C 2.146 178.660 176.600 -0.144 0.000 1.049 208 K CA 1.216 57.387 56.287 -0.193 0.000 0.931 208 K CB -0.329 32.099 32.500 -0.119 0.000 0.714 208 K HN 0.374 nan 8.250 nan 0.000 0.440 209 A N 0.679 123.405 122.820 -0.156 0.000 1.877 209 A HA -0.127 4.192 4.320 -0.002 0.000 0.216 209 A C 2.237 179.765 177.584 -0.092 0.000 1.186 209 A CA 1.718 53.690 52.037 -0.108 0.000 0.620 209 A CB -0.708 18.227 19.000 -0.107 0.000 0.822 209 A HN 0.173 nan 8.150 nan 0.000 0.443 210 V N 1.272 121.103 119.914 -0.139 0.000 2.287 210 V HA -0.288 3.830 4.120 -0.002 0.000 0.248 210 V C 2.548 178.626 176.094 -0.027 0.000 1.053 210 V CA 2.337 64.572 62.300 -0.108 0.000 1.027 210 V CB -0.945 30.736 31.823 -0.236 0.000 0.646 210 V HN 0.840 nan 8.190 nan 0.000 0.447 211 R N 0.541 121.000 120.500 -0.068 0.000 2.328 211 R HA 0.022 4.361 4.340 -0.002 0.000 0.200 211 R C 1.080 177.399 176.300 0.032 0.000 0.983 211 R CA 1.040 57.147 56.100 0.012 0.000 1.062 211 R CB -0.206 30.088 30.300 -0.010 0.000 0.956 211 R HN 0.546 nan 8.270 nan 0.000 0.479 212 E N 0.337 120.543 120.200 0.011 0.000 2.630 212 E HA 0.041 4.390 4.350 -0.002 0.000 0.218 212 E C -0.826 175.780 176.600 0.010 0.000 0.977 212 E CA -0.241 56.164 56.400 0.008 0.000 1.038 212 E CB 0.640 30.333 29.700 -0.012 0.000 1.051 212 E HN 0.191 nan 8.360 nan 0.000 0.487 213 D N 0.687 121.102 120.400 0.025 0.000 2.411 213 D HA 0.133 4.771 4.640 -0.002 0.000 0.225 213 D C 0.641 176.950 176.300 0.016 0.000 1.156 213 D CA 0.014 54.023 54.000 0.015 0.000 0.874 213 D CB 1.260 42.071 40.800 0.019 0.000 1.034 213 D HN -0.169 nan 8.370 nan 0.000 0.502 214 S N 2.453 118.152 115.700 -0.001 0.000 2.356 214 S HA -0.173 4.296 4.470 -0.002 0.000 0.223 214 S C 1.987 176.571 174.600 -0.026 0.000 1.032 214 S CA 1.240 59.434 58.200 -0.010 0.000 1.005 214 S CB 0.012 63.205 63.200 -0.012 0.000 0.867 214 S HN 0.684 nan 8.310 nan 0.000 0.449 215 A N 1.134 123.937 122.820 -0.030 0.000 1.902 215 A HA -0.054 4.265 4.320 -0.002 0.000 0.217 215 A C 2.122 179.674 177.584 -0.053 0.000 1.181 215 A CA 1.276 53.287 52.037 -0.043 0.000 0.623 215 A CB -0.710 18.263 19.000 -0.046 0.000 0.818 215 A HN 0.390 nan 8.150 nan 0.000 0.443 216 L N -0.189 121.013 121.223 -0.036 0.000 2.017 216 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 216 L C 2.338 179.134 176.870 -0.122 0.000 1.073 216 L CA 2.185 57.004 54.840 -0.035 0.000 0.745 216 L CB -0.403 41.689 42.059 0.054 0.000 0.894 216 L HN 0.345 nan 8.230 nan 0.000 0.432 217 K N -0.916 119.422 120.400 -0.105 0.000 2.147 217 K HA -0.188 4.131 4.320 -0.002 0.000 0.205 217 K C 2.087 178.595 176.600 -0.153 0.000 1.049 217 K CA 1.506 57.684 56.287 -0.182 0.000 0.936 217 K CB -0.337 32.123 32.500 -0.066 0.000 0.722 217 K HN 0.318 nan 8.250 nan 0.000 0.446 218 L N 1.269 122.434 121.223 -0.098 0.000 2.017 218 L HA -0.210 4.128 4.340 -0.002 0.000 0.208 218 L C 2.179 178.993 176.870 -0.093 0.000 1.073 218 L CA 1.557 56.350 54.840 -0.079 0.000 0.745 218 L CB -0.069 41.954 42.059 -0.060 0.000 0.894 218 L HN 0.139 nan 8.230 nan 0.000 0.432 219 E N -0.050 120.086 120.200 -0.106 0.000 2.077 219 E HA -0.240 4.109 4.350 -0.002 0.000 0.193 219 E C 2.115 178.649 176.600 -0.110 0.000 0.989 219 E CA 1.350 57.687 56.400 -0.106 0.000 0.800 219 E CB -0.388 29.248 29.700 -0.106 0.000 0.746 219 E HN 0.501 nan 8.360 nan 0.000 0.452 220 I N 1.152 121.622 120.570 -0.167 0.000 2.361 220 I HA -0.187 3.982 4.170 -0.002 0.000 0.251 220 I C 2.089 178.187 176.117 -0.032 0.000 1.133 220 I CA 1.102 62.320 61.300 -0.136 0.000 1.413 220 I CB -0.286 37.414 38.000 -0.499 0.000 1.073 220 I HN -0.007 nan 8.210 nan 0.000 0.424 221 A N -0.308 122.460 122.820 -0.086 0.000 1.898 221 A HA -0.197 4.122 4.320 -0.002 0.000 0.216 221 A C 2.220 179.783 177.584 -0.036 0.000 1.181 221 A CA 1.691 53.700 52.037 -0.046 0.000 0.620 221 A CB -0.673 18.297 19.000 -0.049 0.000 0.819 221 A HN 0.533 nan 8.150 nan 0.000 0.442 222 E N -0.143 120.031 120.200 -0.043 0.000 2.077 222 E HA -0.143 4.206 4.350 -0.002 0.000 0.193 222 E C 1.924 178.507 176.600 -0.027 0.000 0.989 222 E CA 1.128 57.507 56.400 -0.035 0.000 0.800 222 E CB -0.281 29.390 29.700 -0.048 0.000 0.746 222 E HN 0.627 nan 8.360 nan 0.000 0.452 223 L N 0.889 122.091 121.223 -0.036 0.000 2.109 223 L HA -0.149 4.190 4.340 -0.002 0.000 0.207 223 L C 2.636 179.515 176.870 0.016 0.000 1.086 223 L CA 0.996 55.831 54.840 -0.009 0.000 0.760 223 L CB -0.309 41.717 42.059 -0.055 0.000 0.910 223 L HN 0.052 nan 8.230 nan 0.000 0.437 224 K N 0.068 120.348 120.400 -0.200 0.000 2.026 224 K HA -0.157 4.161 4.320 -0.002 0.000 0.208 224 K C 2.259 178.731 176.600 -0.214 0.000 1.048 224 K CA 1.681 57.608 56.287 -0.601 0.000 0.929 224 K CB 0.038 32.381 32.500 -0.263 0.000 0.713 224 K HN 0.114 nan 8.250 nan 0.000 0.439 225 S N 1.165 116.824 115.700 -0.070 0.000 2.359 225 S HA -0.219 4.250 4.470 -0.002 0.000 0.224 225 S C 1.826 176.452 174.600 0.044 0.000 1.035 225 S CA 1.769 59.966 58.200 -0.005 0.000 1.018 225 S CB -0.264 62.938 63.200 0.004 0.000 0.876 225 S HN 0.390 nan 8.310 nan 0.000 0.448 226 M N 0.041 119.698 119.600 0.094 0.000 2.080 226 M HA -0.146 4.333 4.480 -0.002 0.000 0.260 226 M C 1.944 178.363 176.300 0.198 0.000 1.068 226 M CA 1.649 57.054 55.300 0.175 0.000 1.109 226 M CB -0.282 32.485 32.600 0.279 0.000 1.342 226 M HN 0.357 nan 8.290 nan 0.000 0.405 227 F N 0.452 120.425 119.950 0.038 0.000 2.091 227 F HA -0.310 4.216 4.527 -0.002 0.000 0.299 227 F C 2.245 178.053 175.800 0.012 0.000 1.103 227 F CA 1.963 59.924 58.000 -0.065 0.000 1.228 227 F CB -0.512 38.240 39.000 -0.413 0.000 0.984 227 F HN 0.238 nan 8.300 nan 0.000 0.477 228 C N -0.160 119.184 119.300 0.074 0.000 2.468 228 C HA -0.013 4.446 4.460 -0.002 0.000 0.277 228 C C 2.386 177.379 174.990 0.006 0.000 1.400 228 C CA 0.948 59.973 59.018 0.011 0.000 1.770 228 C CB -1.067 26.693 27.740 0.033 0.000 1.905 228 C HN 0.545 nan 8.230 nan 0.000 0.519 229 E N -0.537 119.681 120.200 0.030 0.000 2.332 229 E HA 0.060 4.409 4.350 -0.002 0.000 0.202 229 E C 1.175 177.805 176.600 0.050 0.000 0.877 229 E CA -0.120 56.303 56.400 0.038 0.000 0.979 229 E CB 0.243 29.966 29.700 0.038 0.000 0.969 229 E HN 0.346 nan 8.360 nan 0.000 0.495 230 R N 1.671 122.203 120.500 0.054 0.000 2.205 230 R HA 0.363 4.702 4.340 -0.002 0.000 0.342 230 R C -0.973 175.360 176.300 0.055 0.000 1.058 230 R CA -0.132 56.005 56.100 0.063 0.000 0.904 230 R CB 0.744 31.090 30.300 0.077 0.000 1.089 230 R HN -0.026 nan 8.270 nan 0.000 0.471 231 A N 4.619 127.504 122.820 0.107 0.000 2.922 231 A HA 0.052 4.371 4.320 -0.002 0.000 0.298 231 A C 0.849 178.614 177.584 0.302 0.000 1.588 231 A CA -0.286 51.856 52.037 0.175 0.000 1.288 231 A CB 0.303 19.407 19.000 0.173 0.000 1.130 231 A HN 0.963 nan 8.150 nan 0.000 0.557 232 Q N 1.154 121.054 119.800 0.166 0.000 2.259 232 Q HA 0.395 4.734 4.340 -0.002 0.000 0.201 232 Q C 0.525 176.660 176.000 0.225 0.000 0.938 232 Q CA 1.183 57.090 55.803 0.174 0.000 0.872 232 Q CB 0.204 28.991 28.738 0.082 0.000 0.971 232 Q HN 0.883 nan 8.270 nan 0.000 0.494 233 A N -0.134 122.733 122.820 0.078 0.000 2.586 233 A HA 0.420 4.739 4.320 -0.002 0.000 0.290 233 A C -1.981 175.229 177.584 -0.622 0.000 1.086 233 A CA -0.751 51.251 52.037 -0.058 0.000 0.665 233 A CB 0.510 19.484 19.000 -0.042 0.000 1.279 233 A HN 0.162 nan 8.150 nan 0.000 0.423 234 L N 2.326 123.049 121.223 -0.832 0.000 2.385 234 L HA 0.478 4.817 4.340 -0.002 0.000 0.285 234 L C 0.067 176.685 176.870 -0.421 0.000 1.125 234 L CA -0.098 54.092 54.840 -1.083 0.000 0.890 234 L CB -0.888 40.647 42.059 -0.874 0.000 1.251 234 L HN 0.508 nan 8.230 nan 0.000 0.445 235 I N 0.147 120.431 120.570 -0.477 0.000 2.581 235 I HA 0.210 4.378 4.170 -0.002 0.000 0.288 235 I C 1.438 177.569 176.117 0.024 0.000 1.047 235 I CA -0.497 60.709 61.300 -0.157 0.000 1.374 235 I CB 0.781 38.659 38.000 -0.204 0.000 1.423 235 I HN 0.590 nan 8.210 nan 0.000 0.549 236 H N 5.099 124.275 119.070 0.176 0.000 2.352 236 H HA -0.136 4.419 4.556 -0.001 0.000 0.299 236 H C 1.613 177.080 175.328 0.232 0.000 1.097 236 H CA 2.371 58.550 56.048 0.219 0.000 1.311 236 H CB 0.056 29.990 29.762 0.287 0.000 1.377 236 H HN 1.064 nan 8.280 nan 0.000 0.504 237 G N 0.269 109.366 108.800 0.495 0.000 2.217 237 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.246 237 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.246 237 G C 0.248 175.510 174.900 0.604 0.000 0.990 237 G CA 0.675 46.127 45.100 0.588 0.000 0.627 237 G HN 0.597 nan 8.290 nan 0.000 0.522 238 D N -0.829 119.925 120.400 0.590 0.000 3.216 238 D HA 0.252 4.891 4.640 -0.002 0.000 0.348 238 D C 0.319 176.685 176.300 0.111 0.000 1.407 238 D CA -0.518 53.656 54.000 0.290 0.000 0.744 238 D CB -0.234 40.651 40.800 0.142 0.000 1.264 238 D HN 0.171 nan 8.370 nan 0.000 0.543 239 L N 2.688 123.910 121.223 -0.001 0.000 2.873 239 L HA 0.268 4.607 4.340 -0.002 0.000 0.236 239 L C 0.057 176.849 176.870 -0.130 0.000 1.375 239 L CA -0.043 54.607 54.840 -0.317 0.000 1.239 239 L CB -1.192 40.708 42.059 -0.266 0.000 1.603 239 L HN 0.236 nan 8.230 nan 0.000 0.430 240 H N -3.233 115.816 119.070 -0.034 0.000 2.497 240 H HA 0.426 4.981 4.556 -0.002 0.000 0.331 240 H C 1.381 176.730 175.328 0.035 0.000 1.457 240 H CA -0.214 55.827 56.048 -0.012 0.000 1.459 240 H CB -0.147 29.591 29.762 -0.041 0.000 1.728 240 H HN 0.172 nan 8.280 nan 0.000 0.691 241 T N -3.875 110.798 114.554 0.198 0.000 3.072 241 T HA 0.016 4.365 4.350 -0.002 0.000 0.266 241 T C 1.898 176.681 174.700 0.139 0.000 1.127 241 T CA 0.456 62.636 62.100 0.133 0.000 1.107 241 T CB -0.728 68.171 68.868 0.053 0.000 0.910 241 T HN 0.769 nan 8.240 nan 0.000 0.513 242 G N 0.531 109.528 108.800 0.327 0.000 2.920 242 G HA2 0.109 4.068 3.960 -0.002 0.000 0.208 242 G HA3 0.109 4.068 3.960 -0.002 0.000 0.208 242 G C 1.186 176.116 174.900 0.050 0.000 1.159 242 G CA 0.015 45.267 45.100 0.255 0.000 0.784 242 G HN 0.540 nan 8.290 nan 0.000 0.535 243 S N -0.299 115.289 115.700 -0.187 0.000 2.575 243 S HA 0.385 4.854 4.470 -0.002 0.000 0.237 243 S C -0.196 174.315 174.600 -0.149 0.000 0.975 243 S CA -0.251 57.826 58.200 -0.205 0.000 0.960 243 S CB 0.864 63.840 63.200 -0.372 0.000 0.822 243 S HN 0.038 nan 8.310 nan 0.000 0.472 244 V N 2.522 122.379 119.914 -0.095 0.000 2.638 244 V HA 0.495 4.614 4.120 -0.002 0.000 0.306 244 V C -0.540 175.525 176.094 -0.049 0.000 1.052 244 V CA -0.538 61.700 62.300 -0.104 0.000 0.885 244 V CB 1.865 33.627 31.823 -0.102 0.000 0.999 244 V HN 0.342 nan 8.190 nan 0.000 0.424 245 M N 5.226 124.808 119.600 -0.030 0.000 2.364 245 M HA 0.797 5.276 4.480 -0.002 0.000 0.334 245 M C -0.885 175.476 176.300 0.101 0.000 1.107 245 M CA -0.884 54.437 55.300 0.036 0.000 0.988 245 M CB 2.157 34.787 32.600 0.049 0.000 1.673 245 M HN 0.589 nan 8.290 nan 0.000 0.441 246 V N -0.468 119.483 119.914 0.061 0.000 2.925 246 V HA 0.926 5.045 4.120 -0.002 0.000 0.311 246 V C -0.426 175.627 176.094 -0.069 0.000 1.104 246 V CA -0.606 61.671 62.300 -0.038 0.000 0.954 246 V CB 1.482 33.059 31.823 -0.410 0.000 1.022 246 V HN 0.976 nan 8.190 nan 0.000 0.427 247 T N -0.596 113.903 114.554 -0.091 0.000 2.773 247 T HA 0.420 4.769 4.350 -0.002 0.000 0.278 247 T C 0.526 175.342 174.700 0.193 0.000 1.011 247 T CA -0.521 61.559 62.100 -0.033 0.000 1.014 247 T CB 1.801 70.505 68.868 -0.274 0.000 1.293 247 T HN 0.538 nan 8.240 nan 0.000 0.554 248 Q N 0.765 120.655 119.800 0.149 0.000 2.291 248 Q HA -0.044 4.295 4.340 -0.002 0.000 0.206 248 Q C 0.754 176.900 176.000 0.243 0.000 0.976 248 Q CA 1.856 57.771 55.803 0.187 0.000 0.875 248 Q CB -0.287 28.497 28.738 0.078 0.000 0.927 248 Q HN 0.918 nan 8.270 nan 0.000 0.450 249 D N -2.826 117.650 120.400 0.126 0.000 2.539 249 D HA 0.105 4.744 4.640 -0.002 0.000 0.232 249 D C -0.278 176.058 176.300 0.059 0.000 1.256 249 D CA -0.213 53.794 54.000 0.012 0.000 0.810 249 D CB 0.113 40.857 40.800 -0.094 0.000 1.090 249 D HN -0.111 nan 8.370 nan 0.000 0.519 250 S N -0.578 115.198 115.700 0.127 0.000 2.538 250 S HA 0.694 5.163 4.470 -0.002 0.000 0.288 250 S C -1.270 173.476 174.600 0.244 0.000 1.108 250 S CA -0.286 58.012 58.200 0.163 0.000 0.971 250 S CB 1.414 64.698 63.200 0.140 0.000 1.041 250 S HN 0.071 nan 8.310 nan 0.000 0.483 251 T N 4.978 119.700 114.554 0.280 0.000 2.937 251 T HA 0.515 4.863 4.350 -0.002 0.000 0.297 251 T C -1.567 173.224 174.700 0.152 0.000 0.991 251 T CA -0.784 61.445 62.100 0.215 0.000 0.990 251 T CB 1.512 70.542 68.868 0.269 0.000 0.991 251 T HN 0.546 nan 8.240 nan 0.000 0.440 252 Q N 2.182 122.007 119.800 0.041 0.000 2.304 252 Q HA 0.501 4.840 4.340 -0.002 0.000 0.270 252 Q C -0.917 175.005 176.000 -0.129 0.000 1.035 252 Q CA -0.684 55.102 55.803 -0.029 0.000 0.781 252 Q CB 2.873 31.577 28.738 -0.057 0.000 1.261 252 Q HN 0.479 nan 8.270 nan 0.000 0.444 253 V N 4.698 124.480 119.914 -0.219 0.000 2.407 253 V HA 0.476 4.595 4.120 -0.002 0.000 0.278 253 V C 0.456 176.508 176.094 -0.069 0.000 1.037 253 V CA -0.439 61.683 62.300 -0.297 0.000 0.900 253 V CB 0.755 32.112 31.823 -0.776 0.000 0.983 253 V HN 0.677 nan 8.190 nan 0.000 0.459 254 I N 0.642 121.213 120.570 0.002 0.000 3.023 254 I HA 0.773 4.942 4.170 -0.002 0.000 0.312 254 I C 0.235 176.468 176.117 0.193 0.000 1.056 254 I CA -0.782 60.561 61.300 0.073 0.000 1.033 254 I CB 1.726 39.743 38.000 0.029 0.000 1.233 254 I HN 0.531 nan 8.210 nan 0.000 0.462 255 D N 1.798 122.262 120.400 0.108 0.000 2.775 255 D HA -0.083 4.556 4.640 -0.002 0.000 0.235 255 D C -1.946 174.316 176.300 -0.063 0.000 1.120 255 D CA 0.461 54.512 54.000 0.085 0.000 0.708 255 D CB -0.602 40.277 40.800 0.132 0.000 1.084 255 D HN 0.633 nan 8.370 nan 0.000 0.434 256 P HA 0.023 nan 4.420 nan 0.000 0.243 256 P C 0.959 178.163 177.300 -0.161 0.000 1.668 256 P CA 0.116 62.863 63.100 -0.588 0.000 0.898 256 P CB -0.534 30.936 31.700 -0.383 0.000 1.637 257 E N -0.692 119.502 120.200 -0.010 0.000 2.204 257 E HA -0.159 4.190 4.350 -0.002 0.000 0.195 257 E C 0.708 177.317 176.600 0.015 0.000 0.990 257 E CA 0.851 57.262 56.400 0.019 0.000 0.821 257 E CB -0.879 28.807 29.700 -0.024 0.000 0.750 257 E HN 0.240 nan 8.360 nan 0.000 0.477 258 F N 2.576 122.561 119.950 0.058 0.000 2.811 258 F HA 0.063 4.589 4.527 -0.002 0.000 0.301 258 F C 0.903 176.829 175.800 0.209 0.000 1.151 258 F CA 0.003 58.087 58.000 0.140 0.000 1.412 258 F CB 0.119 39.250 39.000 0.219 0.000 1.113 258 F HN -0.076 nan 8.300 nan 0.000 0.579 259 S N 1.520 117.373 115.700 0.255 0.000 2.558 259 S HA 0.332 4.801 4.470 -0.002 0.000 0.288 259 S C -0.479 174.269 174.600 0.246 0.000 1.318 259 S CA -0.443 57.835 58.200 0.130 0.000 1.056 259 S CB 0.116 63.273 63.200 -0.071 0.000 0.853 259 S HN 0.360 nan 8.310 nan 0.000 0.505 260 F N -1.420 118.351 119.950 -0.298 0.000 3.122 260 F HA 0.526 5.053 4.527 -0.001 0.000 0.325 260 F C -1.852 173.638 175.800 -0.517 0.000 1.162 260 F CA -1.901 55.905 58.000 -0.324 0.000 0.876 260 F CB 0.629 39.547 39.000 -0.138 0.000 1.429 260 F HN 0.377 nan 8.300 nan 0.000 0.484 261 Y N 1.806 121.874 120.300 -0.387 0.000 2.613 261 Y HA 0.585 5.134 4.550 -0.002 0.000 0.354 261 Y C 0.649 176.176 175.900 -0.622 0.000 1.063 261 Y CA 0.575 58.407 58.100 -0.447 0.000 1.384 261 Y CB 0.632 38.955 38.460 -0.229 0.000 1.199 261 Y HN 0.887 nan 8.280 nan 0.000 0.517 262 G N 3.713 111.963 108.800 -0.916 0.000 3.086 262 G HA2 0.537 4.496 3.960 -0.002 0.000 0.282 262 G HA3 0.537 4.496 3.960 -0.002 0.000 0.282 262 G C -3.195 171.463 174.900 -0.404 0.000 1.343 262 G CA -1.904 42.673 45.100 -0.872 0.000 0.895 262 G HN 0.130 nan 8.290 nan 0.000 0.557 263 P HA 0.185 nan 4.420 nan 0.000 0.281 263 P C 0.983 178.246 177.300 -0.062 0.000 1.252 263 P CA -0.166 62.895 63.100 -0.064 0.000 0.778 263 P CB 1.450 33.211 31.700 0.102 0.000 0.895 264 M N 2.570 122.176 119.600 0.010 0.000 2.106 264 M HA -0.147 4.332 4.480 -0.002 0.000 0.259 264 M C 2.240 178.574 176.300 0.057 0.000 1.068 264 M CA 2.586 57.904 55.300 0.030 0.000 1.100 264 M CB -1.232 31.415 32.600 0.078 0.000 1.351 264 M HN 0.523 nan 8.290 nan 0.000 0.404 265 G N -0.661 108.229 108.800 0.150 0.000 2.479 265 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.220 265 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.220 265 G C 1.295 176.327 174.900 0.220 0.000 1.115 265 G CA 0.317 45.579 45.100 0.271 0.000 0.757 265 G HN 0.393 nan 8.290 nan 0.000 0.560 266 F N 1.415 121.199 119.950 -0.278 0.000 2.171 266 F HA -0.020 4.506 4.527 -0.002 0.000 0.300 266 F C 2.143 177.904 175.800 -0.065 0.000 1.090 266 F CA 1.687 59.450 58.000 -0.396 0.000 1.293 266 F CB 0.141 38.842 39.000 -0.498 0.000 1.013 266 F HN 0.076 nan 8.300 nan 0.000 0.486 267 D N 0.198 120.629 120.400 0.051 0.000 2.110 267 D HA -0.091 4.548 4.640 -0.002 0.000 0.202 267 D C 2.409 178.691 176.300 -0.030 0.000 0.975 267 D CA 1.582 55.595 54.000 0.022 0.000 0.839 267 D CB -0.350 40.485 40.800 0.057 0.000 0.996 267 D HN 0.287 nan 8.370 nan 0.000 0.464 268 I N 0.742 121.286 120.570 -0.043 0.000 2.226 268 I HA -0.152 4.017 4.170 -0.002 0.000 0.245 268 I C 2.501 178.626 176.117 0.013 0.000 1.100 268 I CA 1.362 62.632 61.300 -0.050 0.000 1.374 268 I CB -0.539 37.394 38.000 -0.111 0.000 1.057 268 I HN 0.015 nan 8.210 nan 0.000 0.413 269 G N 0.599 109.405 108.800 0.011 0.000 2.421 269 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.216 269 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.216 269 G C 1.894 176.747 174.900 -0.078 0.000 1.171 269 G CA 0.869 45.969 45.100 0.001 0.000 0.775 269 G HN 0.491 nan 8.290 nan 0.000 0.543 270 A N -0.072 122.642 122.820 -0.177 0.000 1.883 270 A HA -0.102 4.217 4.320 -0.002 0.000 0.217 270 A C 2.252 179.811 177.584 -0.042 0.000 1.186 270 A CA 1.918 53.850 52.037 -0.175 0.000 0.624 270 A CB -0.691 18.168 19.000 -0.236 0.000 0.822 270 A HN 0.497 nan 8.150 nan 0.000 0.444 271 Y N 0.287 120.516 120.300 -0.118 0.000 2.153 271 Y HA -0.049 4.499 4.550 -0.003 0.000 0.289 271 Y C 2.033 177.891 175.900 -0.071 0.000 1.127 271 Y CA 1.655 59.698 58.100 -0.096 0.000 1.131 271 Y CB -0.394 37.999 38.460 -0.111 0.000 0.995 271 Y HN 0.185 nan 8.280 nan 0.000 0.505 272 L N -0.458 120.677 121.223 -0.147 0.000 2.083 272 L HA -0.173 4.166 4.340 -0.002 0.000 0.209 272 L C 2.668 179.428 176.870 -0.183 0.000 1.083 272 L CA 1.329 56.046 54.840 -0.205 0.000 0.752 272 L CB -1.341 40.673 42.059 -0.074 0.000 0.899 272 L HN 0.431 nan 8.230 nan 0.000 0.433 273 G N -0.129 108.606 108.800 -0.108 0.000 2.440 273 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.218 273 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.218 273 G C 1.408 176.272 174.900 -0.060 0.000 1.154 273 G CA 0.740 45.809 45.100 -0.052 0.000 0.767 273 G HN 0.364 nan 8.290 nan 0.000 0.552 274 N N 0.212 118.844 118.700 -0.114 0.000 2.244 274 N HA 0.010 4.749 4.740 -0.002 0.000 0.183 274 N C 2.302 177.719 175.510 -0.156 0.000 1.016 274 N CA 0.556 53.542 53.050 -0.106 0.000 0.866 274 N CB -0.077 38.368 38.487 -0.070 0.000 0.980 274 N HN 0.287 nan 8.380 nan 0.000 0.430 275 L N 0.929 121.984 121.223 -0.281 0.000 2.083 275 L HA -0.111 4.228 4.340 -0.002 0.000 0.209 275 L C 2.207 178.986 176.870 -0.152 0.000 1.083 275 L CA 0.894 55.578 54.840 -0.260 0.000 0.752 275 L CB -0.350 41.475 42.059 -0.391 0.000 0.899 275 L HN 0.107 nan 8.230 nan 0.000 0.433 276 I N -0.358 120.136 120.570 -0.127 0.000 2.252 276 I HA -0.297 3.872 4.170 -0.002 0.000 0.245 276 I C 2.440 178.642 176.117 0.141 0.000 1.102 276 I CA 1.181 62.439 61.300 -0.070 0.000 1.385 276 I CB -0.245 37.734 38.000 -0.036 0.000 1.064 276 I HN 0.207 nan 8.210 nan 0.000 0.414 277 L N 0.688 121.999 121.223 0.146 0.000 2.012 277 L HA -0.249 4.090 4.340 -0.002 0.000 0.210 277 L C 2.929 179.788 176.870 -0.019 0.000 1.073 277 L CA 1.488 56.436 54.840 0.180 0.000 0.748 277 L CB -0.840 41.274 42.059 0.091 0.000 0.891 277 L HN 0.265 nan 8.230 nan 0.000 0.431 278 A N 0.040 122.823 122.820 -0.062 0.000 1.892 278 A HA -0.306 4.013 4.320 -0.002 0.000 0.218 278 A C 2.203 179.778 177.584 -0.015 0.000 1.188 278 A CA 1.950 53.949 52.037 -0.065 0.000 0.631 278 A CB -0.993 18.000 19.000 -0.013 0.000 0.822 278 A HN 0.434 nan 8.150 nan 0.000 0.447 279 F N -0.420 119.427 119.950 -0.172 0.000 2.065 279 F HA -0.207 4.319 4.527 -0.002 0.000 0.298 279 F C 1.823 177.481 175.800 -0.237 0.000 1.112 279 F CA 2.035 59.868 58.000 -0.279 0.000 1.212 279 F CB -0.336 38.350 39.000 -0.523 0.000 0.975 279 F HN 0.198 nan 8.300 nan 0.000 0.476 280 F N 0.345 120.392 119.950 0.162 0.000 2.502 280 F HA 0.060 4.587 4.527 -0.001 0.000 0.298 280 F C 2.400 178.294 175.800 0.156 0.000 1.111 280 F CA 0.787 58.882 58.000 0.158 0.000 1.445 280 F CB -1.194 38.008 39.000 0.337 0.000 1.081 280 F HN 0.084 nan 8.300 nan 0.000 0.558 281 A N -0.723 122.179 122.820 0.136 0.000 2.067 281 A HA -0.087 4.232 4.320 -0.002 0.000 0.217 281 A C 2.181 179.852 177.584 0.146 0.000 1.156 281 A CA 0.622 52.689 52.037 0.049 0.000 0.683 281 A CB -0.307 18.498 19.000 -0.325 0.000 0.808 281 A HN 0.189 nan 8.150 nan 0.000 0.455 282 Q N 0.629 120.449 119.800 0.034 0.000 2.096 282 Q HA -0.197 4.142 4.340 -0.002 0.000 0.204 282 Q C 1.255 177.275 176.000 0.033 0.000 0.982 282 Q CA 1.752 57.580 55.803 0.041 0.000 0.850 282 Q CB -0.540 28.149 28.738 -0.082 0.000 0.901 282 Q HN 0.608 nan 8.270 nan 0.000 0.422 283 D N -0.214 120.170 120.400 -0.028 0.000 2.182 283 D HA -0.109 4.530 4.640 -0.002 0.000 0.201 283 D C 1.782 178.070 176.300 -0.019 0.000 0.986 283 D CA 1.390 55.376 54.000 -0.024 0.000 0.847 283 D CB -0.482 40.306 40.800 -0.021 0.000 0.942 283 D HN 0.433 nan 8.370 nan 0.000 0.467 284 G N -0.898 107.885 108.800 -0.029 0.000 2.598 284 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.215 284 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.215 284 G C 1.171 175.884 174.900 -0.312 0.000 1.131 284 G CA 0.321 45.334 45.100 -0.147 0.000 0.785 284 G HN 0.390 nan 8.290 nan 0.000 0.539 285 H N -0.146 118.917 119.070 -0.012 0.000 2.652 285 H HA 0.400 4.954 4.556 -0.002 0.000 0.274 285 H C 1.488 176.793 175.328 -0.038 0.000 1.021 285 H CA 0.104 56.135 56.048 -0.028 0.000 1.187 285 H CB 0.491 30.227 29.762 -0.043 0.000 1.505 285 H HN 0.321 nan 8.280 nan 0.000 0.530 286 A N 2.070 124.913 122.820 0.037 0.000 2.511 286 A HA 0.316 4.635 4.320 -0.002 0.000 0.242 286 A C 0.976 178.559 177.584 -0.001 0.000 1.069 286 A CA 0.402 52.446 52.037 0.010 0.000 0.763 286 A CB 0.039 19.036 19.000 -0.005 0.000 1.001 286 A HN 0.387 nan 8.150 nan 0.000 0.498 287 T N -0.275 114.275 114.554 -0.006 0.000 2.858 287 T HA 0.470 4.819 4.350 -0.002 0.000 0.285 287 T C 0.747 175.439 174.700 -0.013 0.000 1.052 287 T CA -0.502 61.592 62.100 -0.010 0.000 1.009 287 T CB 0.964 69.826 68.868 -0.012 0.000 1.241 287 T HN 0.384 nan 8.240 nan 0.000 0.542 288 Q N 0.197 119.989 119.800 -0.013 0.000 2.112 288 Q HA -0.093 4.246 4.340 -0.002 0.000 0.206 288 Q C 2.087 178.078 176.000 -0.015 0.000 0.987 288 Q CA 2.161 57.956 55.803 -0.013 0.000 0.858 288 Q CB -0.263 28.468 28.738 -0.011 0.000 0.905 288 Q HN 0.862 nan 8.270 nan 0.000 0.420 289 E N -0.678 119.510 120.200 -0.019 0.000 2.158 289 E HA -0.087 4.262 4.350 -0.002 0.000 0.191 289 E C -0.159 176.424 176.600 -0.029 0.000 0.982 289 E CA 0.384 56.770 56.400 -0.024 0.000 0.823 289 E CB 0.351 30.034 29.700 -0.029 0.000 0.766 289 E HN 0.067 nan 8.360 nan 0.000 0.468 290 N N 0.739 119.421 118.700 -0.030 0.000 2.581 290 N HA 0.001 4.740 4.740 -0.002 0.000 0.279 290 N C -0.960 174.537 175.510 -0.021 0.000 1.124 290 N CA -0.286 52.744 53.050 -0.034 0.000 0.833 290 N CB 1.469 39.920 38.487 -0.061 0.000 1.338 290 N HN 0.017 nan 8.380 nan 0.000 0.533 291 D N 2.207 122.600 120.400 -0.012 0.000 2.363 291 D HA 0.012 4.651 4.640 -0.002 0.000 0.226 291 D C 0.204 176.503 176.300 -0.002 0.000 1.020 291 D CA 0.269 54.265 54.000 -0.007 0.000 0.892 291 D CB 0.182 40.978 40.800 -0.006 0.000 0.900 291 D HN 0.413 nan 8.370 nan 0.000 0.531 292 R N -0.656 119.849 120.500 0.009 0.000 3.994 292 R HA -0.199 4.140 4.340 -0.002 0.000 0.403 292 R C 1.079 177.408 176.300 0.048 0.000 1.126 292 R CA 1.119 57.247 56.100 0.046 0.000 1.143 292 R CB -2.251 28.072 30.300 0.039 0.000 1.695 292 R HN 0.404 nan 8.270 nan 0.000 0.555 293 K N 1.155 121.569 120.400 0.023 0.000 2.002 293 K HA -0.110 4.209 4.320 -0.002 0.000 0.209 293 K C 1.744 178.372 176.600 0.047 0.000 1.048 293 K CA 1.706 58.002 56.287 0.015 0.000 0.930 293 K CB -0.038 32.468 32.500 0.011 0.000 0.714 293 K HN 0.393 nan 8.250 nan 0.000 0.438 294 E N -0.259 119.980 120.200 0.065 0.000 2.110 294 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 294 E C 1.880 178.568 176.600 0.148 0.000 0.988 294 E CA 1.012 57.464 56.400 0.087 0.000 0.804 294 E CB -0.108 29.634 29.700 0.069 0.000 0.745 294 E HN 0.282 nan 8.360 nan 0.000 0.458 295 Y N 1.851 122.173 120.300 0.037 0.000 2.200 295 Y HA -0.168 4.381 4.550 -0.001 0.000 0.290 295 Y C 1.861 177.855 175.900 0.157 0.000 1.137 295 Y CA 1.438 59.589 58.100 0.084 0.000 1.163 295 Y CB 0.101 38.563 38.460 0.004 0.000 0.988 295 Y HN -0.170 nan 8.280 nan 0.000 0.518 296 K N -0.427 120.008 120.400 0.058 0.000 2.074 296 K HA -0.243 4.076 4.320 -0.002 0.000 0.209 296 K C 2.068 178.722 176.600 0.091 0.000 1.048 296 K CA 1.683 57.959 56.287 -0.018 0.000 0.926 296 K CB -0.157 32.229 32.500 -0.190 0.000 0.713 296 K HN 0.340 nan 8.250 nan 0.000 0.444 297 Q N -0.371 119.473 119.800 0.074 0.000 2.124 297 Q HA -0.196 4.143 4.340 -0.002 0.000 0.202 297 Q C 1.830 177.830 176.000 -0.001 0.000 0.977 297 Q CA 1.313 57.142 55.803 0.044 0.000 0.850 297 Q CB -0.355 28.412 28.738 0.048 0.000 0.901 297 Q HN 0.495 nan 8.270 nan 0.000 0.429 298 W N 1.426 122.629 121.300 -0.162 0.000 2.355 298 W HA -0.159 4.500 4.660 -0.002 0.000 0.309 298 W C 1.836 178.205 176.519 -0.250 0.000 1.206 298 W CA 1.297 58.514 57.345 -0.213 0.000 1.284 298 W CB -0.365 28.936 29.460 -0.265 0.000 1.145 298 W HN 0.033 nan 8.180 nan 0.000 0.502 299 I N 0.421 120.785 120.570 -0.343 0.000 2.163 299 I HA -0.374 3.795 4.170 -0.002 0.000 0.243 299 I C 2.433 178.291 176.117 -0.432 0.000 1.085 299 I CA 1.548 62.570 61.300 -0.464 0.000 1.347 299 I CB -0.856 37.032 38.000 -0.187 0.000 1.044 299 I HN 0.021 nan 8.210 nan 0.000 0.408 300 L N 0.095 121.145 121.223 -0.289 0.000 2.046 300 L HA -0.206 4.133 4.340 -0.002 0.000 0.208 300 L C 2.797 179.482 176.870 -0.309 0.000 1.077 300 L CA 1.392 56.041 54.840 -0.319 0.000 0.747 300 L CB -0.670 41.219 42.059 -0.283 0.000 0.896 300 L HN 0.198 nan 8.230 nan 0.000 0.432 301 R N -0.476 119.831 120.500 -0.322 0.000 2.081 301 R HA -0.125 4.214 4.340 -0.002 0.000 0.235 301 R C 2.274 178.347 176.300 -0.378 0.000 1.131 301 R CA 1.914 57.831 56.100 -0.304 0.000 0.960 301 R CB -0.743 29.392 30.300 -0.273 0.000 0.856 301 R HN 0.378 nan 8.270 nan 0.000 0.436 302 T N 1.418 115.595 114.554 -0.630 0.000 2.821 302 T HA -0.070 4.279 4.350 -0.002 0.000 0.267 302 T C 1.961 176.475 174.700 -0.311 0.000 1.046 302 T CA 1.044 62.795 62.100 -0.581 0.000 1.139 302 T CB -0.141 68.135 68.868 -0.985 0.000 0.871 302 T HN 0.144 nan 8.240 nan 0.000 0.454 303 I N 1.020 121.404 120.570 -0.310 0.000 2.142 303 I HA -0.189 3.980 4.170 -0.002 0.000 0.240 303 I C 2.778 178.846 176.117 -0.082 0.000 1.078 303 I CA 1.579 62.763 61.300 -0.194 0.000 1.343 303 I CB -0.357 37.492 38.000 -0.252 0.000 1.046 303 I HN 0.296 nan 8.210 nan 0.000 0.405 304 E N 0.862 120.996 120.200 -0.110 0.000 2.058 304 E HA -0.292 4.057 4.350 -0.002 0.000 0.194 304 E C 2.216 178.833 176.600 0.028 0.000 0.997 304 E CA 1.569 57.953 56.400 -0.027 0.000 0.801 304 E CB -0.028 29.630 29.700 -0.070 0.000 0.746 304 E HN 0.489 nan 8.360 nan 0.000 0.450 305 Q N -0.451 119.326 119.800 -0.039 0.000 2.119 305 Q HA -0.106 4.233 4.340 -0.002 0.000 0.201 305 Q C 2.289 178.299 176.000 0.017 0.000 0.972 305 Q CA 1.761 57.549 55.803 -0.024 0.000 0.847 305 Q CB 0.002 28.698 28.738 -0.069 0.000 0.903 305 Q HN 0.317 nan 8.270 nan 0.000 0.433 306 T N 0.808 115.383 114.554 0.035 0.000 2.674 306 T HA -0.197 4.152 4.350 -0.002 0.000 0.265 306 T C 1.136 175.923 174.700 0.145 0.000 1.039 306 T CA 1.145 63.303 62.100 0.096 0.000 1.150 306 T CB -0.406 68.556 68.868 0.156 0.000 0.864 306 T HN 0.512 nan 8.240 nan 0.000 0.427 307 W N 2.530 123.854 121.300 0.039 0.000 2.355 307 W HA -0.165 4.492 4.660 -0.004 0.000 0.309 307 W C 1.804 178.402 176.519 0.131 0.000 1.206 307 W CA 1.112 58.508 57.345 0.084 0.000 1.284 307 W CB -0.493 28.977 29.460 0.016 0.000 1.145 307 W HN 0.211 nan 8.180 nan 0.000 0.502 308 N N 0.975 119.680 118.700 0.008 0.000 2.120 308 N HA -0.172 4.567 4.740 -0.002 0.000 0.188 308 N C 1.975 177.394 175.510 -0.151 0.000 1.024 308 N CA 1.923 54.928 53.050 -0.075 0.000 0.852 308 N CB -1.028 37.488 38.487 0.048 0.000 1.003 308 N HN 0.266 nan 8.380 nan 0.000 0.424 309 L N -0.231 120.943 121.223 -0.082 0.000 2.046 309 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 309 L C 2.263 179.058 176.870 -0.126 0.000 1.077 309 L CA 0.990 55.783 54.840 -0.078 0.000 0.747 309 L CB -0.520 41.527 42.059 -0.021 0.000 0.896 309 L HN 0.062 nan 8.230 nan 0.000 0.432 310 F N 1.276 121.064 119.950 -0.271 0.000 2.095 310 F HA -0.300 4.226 4.527 -0.002 0.000 0.298 310 F C 2.527 178.091 175.800 -0.394 0.000 1.104 310 F CA 2.058 59.869 58.000 -0.316 0.000 1.232 310 F CB -0.549 38.229 39.000 -0.370 0.000 0.987 310 F HN 0.156 nan 8.300 nan 0.000 0.475 311 N N 0.991 119.239 118.700 -0.754 0.000 2.036 311 N HA -0.316 4.423 4.740 -0.002 0.000 0.195 311 N C 2.105 177.375 175.510 -0.399 0.000 1.037 311 N CA 2.102 54.745 53.050 -0.679 0.000 0.855 311 N CB -0.459 37.688 38.487 -0.568 0.000 1.033 311 N HN 0.484 nan 8.380 nan 0.000 0.423 312 K N 0.608 120.829 120.400 -0.298 0.000 2.026 312 K HA -0.100 4.219 4.320 -0.002 0.000 0.208 312 K C 2.288 178.753 176.600 -0.225 0.000 1.048 312 K CA 1.088 57.252 56.287 -0.204 0.000 0.929 312 K CB -0.002 32.411 32.500 -0.146 0.000 0.713 312 K HN 0.165 nan 8.250 nan 0.000 0.439 313 R N -0.682 119.662 120.500 -0.260 0.000 2.090 313 R HA -0.075 4.264 4.340 -0.002 0.000 0.228 313 R C 2.236 178.322 176.300 -0.358 0.000 1.110 313 R CA 1.449 57.392 56.100 -0.262 0.000 0.973 313 R CB -0.351 29.831 30.300 -0.197 0.000 0.869 313 R HN 0.226 nan 8.270 nan 0.000 0.440 314 F N 1.287 120.850 119.950 -0.645 0.000 2.113 314 F HA -0.136 4.389 4.527 -0.003 0.000 0.297 314 F C 1.968 177.513 175.800 -0.425 0.000 1.103 314 F CA 1.402 59.016 58.000 -0.643 0.000 1.248 314 F CB -0.033 38.409 39.000 -0.930 0.000 0.999 314 F HN -0.124 nan 8.300 nan 0.000 0.475 315 I N 0.167 120.683 120.570 -0.090 0.000 2.264 315 I HA -0.333 3.836 4.170 -0.002 0.000 0.248 315 I C 2.654 178.628 176.117 -0.237 0.000 1.111 315 I CA 1.140 62.373 61.300 -0.111 0.000 1.382 315 I CB -0.836 37.081 38.000 -0.138 0.000 1.060 315 I HN 0.251 nan 8.210 nan 0.000 0.418 316 A N 0.873 123.529 122.820 -0.274 0.000 1.902 316 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 316 A C 2.291 179.656 177.584 -0.364 0.000 1.181 316 A CA 1.444 53.323 52.037 -0.263 0.000 0.623 316 A CB -0.809 18.061 19.000 -0.218 0.000 0.818 316 A HN 0.383 nan 8.150 nan 0.000 0.443 317 L N -2.151 118.696 121.223 -0.627 0.000 2.056 317 L HA -0.193 4.146 4.340 -0.002 0.000 0.207 317 L C 2.616 178.859 176.870 -1.045 0.000 1.078 317 L CA 1.277 55.505 54.840 -1.020 0.000 0.749 317 L CB -0.492 40.505 42.059 -1.769 0.000 0.901 317 L HN 0.733 nan 8.230 nan 0.000 0.433 318 W N 1.765 122.374 121.300 -1.152 0.000 2.355 318 W HA -0.207 4.453 4.660 0.001 0.000 0.309 318 W C 2.218 178.581 176.519 -0.260 0.000 1.206 318 W CA 1.647 58.686 57.345 -0.511 0.000 1.284 318 W CB -0.499 28.739 29.460 -0.370 0.000 1.145 318 W HN 0.239 nan 8.180 nan 0.000 0.502 319 D N -0.346 120.024 120.400 -0.050 0.000 2.117 319 D HA -0.216 4.423 4.640 -0.002 0.000 0.197 319 D C 2.124 178.412 176.300 -0.020 0.000 0.987 319 D CA 1.624 55.582 54.000 -0.070 0.000 0.829 319 D CB -0.684 40.037 40.800 -0.132 0.000 0.961 319 D HN 0.357 nan 8.370 nan 0.000 0.460 320 Q N -0.237 119.526 119.800 -0.062 0.000 2.181 320 Q HA -0.103 4.236 4.340 -0.002 0.000 0.205 320 Q C 0.641 176.682 176.000 0.069 0.000 0.980 320 Q CA 0.988 56.781 55.803 -0.017 0.000 0.862 320 Q CB -0.075 28.628 28.738 -0.059 0.000 0.905 320 Q HN 0.293 nan 8.270 nan 0.000 0.429 321 N N -0.408 118.364 118.700 0.119 0.000 2.234 321 N HA 0.011 4.750 4.740 -0.002 0.000 0.227 321 N C 0.583 176.243 175.510 0.250 0.000 1.151 321 N CA -0.121 53.078 53.050 0.248 0.000 0.865 321 N CB 0.507 39.264 38.487 0.450 0.000 1.066 321 N HN 0.173 nan 8.380 nan 0.000 0.515 322 K N -0.209 120.322 120.400 0.219 0.000 2.280 322 K HA -0.069 4.250 4.320 -0.002 0.000 0.202 322 K C -0.192 176.519 176.600 0.184 0.000 1.047 322 K CA 1.104 57.538 56.287 0.244 0.000 0.942 322 K CB 0.158 32.765 32.500 0.178 0.000 0.739 322 K HN 0.058 nan 8.250 nan 0.000 0.457 323 D N 1.676 122.160 120.400 0.139 0.000 2.894 323 D HA 0.201 4.840 4.640 -0.002 0.000 0.248 323 D C 0.289 176.641 176.300 0.086 0.000 1.291 323 D CA 0.600 54.663 54.000 0.105 0.000 0.840 323 D CB 0.448 41.297 40.800 0.081 0.000 1.044 323 D HN 0.498 nan 8.370 nan 0.000 0.484 324 G N 2.432 111.284 108.800 0.087 0.000 2.663 324 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.686 324 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.686 324 G C -2.087 172.811 174.900 -0.004 0.000 1.288 324 G CA -0.784 44.332 45.100 0.027 0.000 0.836 324 G HN -0.002 nan 8.290 nan 0.000 0.584 325 P HA 0.193 nan 4.420 nan 0.000 0.245 325 P C 1.233 178.435 177.300 -0.164 0.000 1.206 325 P CA 1.158 64.153 63.100 -0.176 0.000 0.781 325 P CB 0.132 31.662 31.700 -0.284 0.000 0.994 326 G N 0.938 109.638 108.800 -0.167 0.000 2.432 326 G HA2 0.013 3.972 3.960 -0.002 0.000 0.239 326 G HA3 0.013 3.972 3.960 -0.002 0.000 0.239 326 G C 0.285 175.147 174.900 -0.064 0.000 1.291 326 G CA -0.197 44.822 45.100 -0.136 0.000 0.863 326 G HN 0.138 nan 8.290 nan 0.000 0.560 327 E N 1.399 121.558 120.200 -0.068 0.000 2.526 327 E HA 0.175 4.524 4.350 -0.002 0.000 0.208 327 E C 2.241 178.812 176.600 -0.047 0.000 0.997 327 E CA 0.260 56.641 56.400 -0.032 0.000 0.961 327 E CB 0.749 30.427 29.700 -0.037 0.000 1.030 327 E HN 0.540 nan 8.360 nan 0.000 0.483 328 A N 0.681 123.449 122.820 -0.086 0.000 1.902 328 A HA -0.130 4.189 4.320 -0.002 0.000 0.217 328 A C 0.530 177.913 177.584 -0.334 0.000 1.181 328 A CA 1.170 53.105 52.037 -0.171 0.000 0.623 328 A CB -0.202 18.733 19.000 -0.109 0.000 0.818 328 A HN 0.270 nan 8.150 nan 0.000 0.443 329 Y N -0.437 119.839 120.300 -0.039 0.000 2.787 329 Y HA 0.459 5.009 4.550 -0.000 0.000 0.352 329 Y C -0.365 175.702 175.900 0.277 0.000 1.027 329 Y CA -0.764 57.327 58.100 -0.015 0.000 1.219 329 Y CB 0.619 39.012 38.460 -0.111 0.000 1.110 329 Y HN 0.071 nan 8.280 nan 0.000 0.614 330 L N 1.637 123.106 121.223 0.409 0.000 2.490 330 L HA 0.060 4.399 4.340 -0.002 0.000 0.274 330 L C 1.515 178.584 176.870 0.332 0.000 1.201 330 L CA 0.148 55.158 54.840 0.283 0.000 0.869 330 L CB 0.913 43.072 42.059 0.166 0.000 1.123 330 L HN 0.716 nan 8.230 nan 0.000 0.484 331 A N 2.256 125.212 122.820 0.226 0.000 1.972 331 A HA -0.186 4.133 4.320 -0.002 0.000 0.219 331 A C 1.621 179.281 177.584 0.126 0.000 1.169 331 A CA 1.576 53.730 52.037 0.195 0.000 0.635 331 A CB -0.463 18.621 19.000 0.140 0.000 0.810 331 A HN 0.935 nan 8.150 nan 0.000 0.446 332 D N -0.538 119.912 120.400 0.083 0.000 2.349 332 D HA 0.032 4.671 4.640 -0.002 0.000 0.224 332 D C 1.294 177.581 176.300 -0.022 0.000 1.029 332 D CA 0.404 54.422 54.000 0.031 0.000 0.879 332 D CB -0.336 40.477 40.800 0.022 0.000 0.906 332 D HN 0.547 nan 8.370 nan 0.000 0.528 333 I N -1.195 119.340 120.570 -0.058 0.000 2.685 333 I HA -0.020 4.149 4.170 -0.002 0.000 0.251 333 I C 0.375 176.216 176.117 -0.460 0.000 1.102 333 I CA 0.151 61.269 61.300 -0.303 0.000 1.442 333 I CB 0.007 37.732 38.000 -0.459 0.000 1.194 333 I HN -0.189 nan 8.210 nan 0.000 0.448 334 Y N 3.476 123.857 120.300 0.135 0.000 2.767 334 Y HA 0.125 4.673 4.550 -0.002 0.000 0.354 334 Y C 0.865 176.823 175.900 0.096 0.000 1.292 334 Y CA -0.772 57.419 58.100 0.151 0.000 1.749 334 Y CB -0.907 37.700 38.460 0.245 0.000 1.841 334 Y HN 0.278 nan 8.280 nan 0.000 0.454 335 N N 0.222 118.964 118.700 0.070 0.000 2.238 335 N HA 0.036 4.775 4.740 -0.002 0.000 0.222 335 N C -0.862 174.672 175.510 0.041 0.000 1.133 335 N CA -0.164 52.918 53.050 0.053 0.000 0.854 335 N CB -0.271 38.225 38.487 0.015 0.000 1.041 335 N HN 0.524 nan 8.380 nan 0.000 0.510 336 N N -2.691 116.039 118.700 0.050 0.000 2.610 336 N HA 0.290 5.029 4.740 -0.002 0.000 0.264 336 N C 0.056 175.583 175.510 0.029 0.000 1.348 336 N CA -0.713 52.354 53.050 0.029 0.000 0.819 336 N CB 0.692 39.188 38.487 0.014 0.000 1.521 336 N HN -0.234 nan 8.380 nan 0.000 0.497 337 T N -0.790 113.769 114.554 0.007 0.000 2.788 337 T HA -0.151 4.198 4.350 -0.002 0.000 0.268 337 T C 1.146 175.843 174.700 -0.005 0.000 1.044 337 T CA 1.626 63.718 62.100 -0.012 0.000 1.139 337 T CB -0.315 68.539 68.868 -0.023 0.000 0.867 337 T HN 0.678 nan 8.240 nan 0.000 0.454 338 E N 0.318 120.522 120.200 0.007 0.000 2.031 338 E HA -0.126 4.223 4.350 -0.002 0.000 0.193 338 E C 2.299 178.941 176.600 0.070 0.000 0.994 338 E CA 1.153 57.562 56.400 0.016 0.000 0.800 338 E CB -0.213 29.480 29.700 -0.010 0.000 0.752 338 E HN 0.273 nan 8.360 nan 0.000 0.447 339 V N 0.847 120.816 119.914 0.093 0.000 2.515 339 V HA -0.177 3.942 4.120 -0.002 0.000 0.250 339 V C 2.304 178.553 176.094 0.258 0.000 1.058 339 V CA 1.416 63.844 62.300 0.214 0.000 1.064 339 V CB -0.204 31.735 31.823 0.192 0.000 0.675 339 V HN 0.339 nan 8.190 nan 0.000 0.461 340 L N 0.450 121.751 121.223 0.130 0.000 2.017 340 L HA -0.105 4.234 4.340 -0.002 0.000 0.208 340 L C 2.381 179.145 176.870 -0.176 0.000 1.073 340 L CA 2.118 56.947 54.840 -0.018 0.000 0.745 340 L CB -0.856 41.154 42.059 -0.080 0.000 0.894 340 L HN 0.190 nan 8.230 nan 0.000 0.432 341 K N -1.050 119.289 120.400 -0.102 0.000 2.148 341 K HA -0.139 4.180 4.320 -0.002 0.000 0.204 341 K C 1.889 178.469 176.600 -0.033 0.000 1.050 341 K CA 1.425 57.634 56.287 -0.129 0.000 0.942 341 K CB -0.753 31.703 32.500 -0.074 0.000 0.724 341 K HN 0.365 nan 8.250 nan 0.000 0.446 342 F N 0.761 120.665 119.950 -0.077 0.000 2.075 342 F HA -0.195 4.330 4.527 -0.003 0.000 0.297 342 F C 1.815 177.608 175.800 -0.011 0.000 1.113 342 F CA 1.567 59.556 58.000 -0.018 0.000 1.218 342 F CB -0.596 38.421 39.000 0.029 0.000 0.984 342 F HN -0.105 nan 8.300 nan 0.000 0.472 343 V N -0.889 118.940 119.914 -0.141 0.000 2.515 343 V HA -0.225 3.894 4.120 -0.002 0.000 0.250 343 V C 2.019 177.944 176.094 -0.282 0.000 1.058 343 V CA 1.923 64.083 62.300 -0.234 0.000 1.064 343 V CB -1.200 30.616 31.823 -0.012 0.000 0.675 343 V HN 0.523 nan 8.190 nan 0.000 0.461 344 Q N 0.418 119.929 119.800 -0.482 0.000 2.079 344 Q HA -0.175 4.164 4.340 -0.002 0.000 0.200 344 Q C 2.377 178.285 176.000 -0.154 0.000 0.974 344 Q CA 2.125 57.575 55.803 -0.588 0.000 0.840 344 Q CB -0.242 27.953 28.738 -0.905 0.000 0.898 344 Q HN 0.761 nan 8.270 nan 0.000 0.430 345 E N 0.513 120.631 120.200 -0.137 0.000 2.077 345 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 345 E C 1.849 178.439 176.600 -0.016 0.000 0.989 345 E CA 0.685 57.059 56.400 -0.042 0.000 0.800 345 E CB -0.057 29.630 29.700 -0.022 0.000 0.746 345 E HN 0.346 nan 8.360 nan 0.000 0.452 346 N N 0.295 118.944 118.700 -0.086 0.000 2.084 346 N HA -0.189 4.550 4.740 -0.002 0.000 0.190 346 N C 1.826 177.371 175.510 0.059 0.000 1.030 346 N CA 1.056 54.070 53.050 -0.061 0.000 0.849 346 N CB -0.296 38.081 38.487 -0.182 0.000 1.012 346 N HN 0.213 nan 8.380 nan 0.000 0.423 347 Y N 1.447 121.759 120.300 0.021 0.000 2.128 347 Y HA -0.175 4.373 4.550 -0.002 0.000 0.284 347 Y C 2.437 178.406 175.900 0.114 0.000 1.154 347 Y CA 1.540 59.717 58.100 0.129 0.000 1.149 347 Y CB -0.004 38.635 38.460 0.299 0.000 0.976 347 Y HN -0.012 nan 8.280 nan 0.000 0.505 348 M N -0.425 119.376 119.600 0.335 0.000 2.254 348 M HA -0.095 4.384 4.480 -0.002 0.000 0.265 348 M C 2.184 178.600 176.300 0.193 0.000 1.066 348 M CA 1.396 56.870 55.300 0.290 0.000 1.123 348 M CB -1.133 31.618 32.600 0.250 0.000 1.388 348 M HN 0.203 nan 8.290 nan 0.000 0.425 349 R N 1.382 121.909 120.500 0.045 0.000 2.073 349 R HA -0.067 4.272 4.340 -0.002 0.000 0.234 349 R C 1.772 177.859 176.300 -0.356 0.000 1.134 349 R CA 1.652 57.654 56.100 -0.162 0.000 0.952 349 R CB -0.535 29.684 30.300 -0.136 0.000 0.850 349 R HN 0.329 nan 8.270 nan 0.000 0.433 350 N N 0.431 119.028 118.700 -0.172 0.000 2.149 350 N HA -0.169 4.570 4.740 -0.002 0.000 0.188 350 N C 1.539 176.996 175.510 -0.089 0.000 1.019 350 N CA 1.305 54.283 53.050 -0.119 0.000 0.857 350 N CB -0.368 38.072 38.487 -0.078 0.000 0.997 350 N HN 0.191 nan 8.380 nan 0.000 0.426 351 L N 1.000 122.186 121.223 -0.062 0.000 2.093 351 L HA -0.020 4.319 4.340 -0.002 0.000 0.208 351 L C 2.063 178.966 176.870 0.054 0.000 1.085 351 L CA 1.051 55.917 54.840 0.043 0.000 0.755 351 L CB -0.866 41.275 42.059 0.137 0.000 0.904 351 L HN 0.072 nan 8.230 nan 0.000 0.435 352 L N -0.700 120.470 121.223 -0.088 0.000 2.012 352 L HA -0.258 4.080 4.340 -0.002 0.000 0.210 352 L C 2.431 179.159 176.870 -0.236 0.000 1.073 352 L CA 2.051 56.580 54.840 -0.518 0.000 0.748 352 L CB -0.835 40.828 42.059 -0.659 0.000 0.891 352 L HN 0.469 nan 8.230 nan 0.000 0.431 353 H N -1.185 117.809 119.070 -0.126 0.000 2.353 353 H HA -0.149 4.406 4.556 -0.002 0.000 0.300 353 H C 1.771 177.050 175.328 -0.081 0.000 1.090 353 H CA 0.878 56.873 56.048 -0.088 0.000 1.327 353 H CB 0.019 29.749 29.762 -0.053 0.000 1.383 353 H HN 0.398 nan 8.280 nan 0.000 0.508 354 D N 0.329 120.780 120.400 0.084 0.000 2.104 354 D HA -0.136 4.503 4.640 -0.002 0.000 0.194 354 D C 2.317 178.713 176.300 0.161 0.000 0.994 354 D CA 1.279 55.332 54.000 0.087 0.000 0.830 354 D CB -0.399 40.529 40.800 0.213 0.000 0.959 354 D HN 0.211 nan 8.370 nan 0.000 0.452 355 S N 0.350 116.128 115.700 0.130 0.000 2.359 355 S HA -0.097 4.372 4.470 -0.002 0.000 0.224 355 S C 2.228 176.848 174.600 0.034 0.000 1.035 355 S CA 0.621 58.887 58.200 0.110 0.000 1.018 355 S CB -0.312 62.884 63.200 -0.007 0.000 0.876 355 S HN 0.251 nan 8.310 nan 0.000 0.448 356 L N 0.985 122.176 121.223 -0.053 0.000 2.083 356 L HA -0.063 4.276 4.340 -0.002 0.000 0.209 356 L C 2.772 179.610 176.870 -0.053 0.000 1.083 356 L CA 1.172 55.968 54.840 -0.074 0.000 0.752 356 L CB -1.211 40.791 42.059 -0.095 0.000 0.899 356 L HN 0.424 nan 8.230 nan 0.000 0.433 357 G N -0.015 108.739 108.800 -0.076 0.000 2.433 357 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.216 357 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.216 357 G C 1.318 176.142 174.900 -0.127 0.000 1.186 357 G CA 0.537 45.542 45.100 -0.158 0.000 0.779 357 G HN 0.175 nan 8.290 nan 0.000 0.543 358 F N 1.795 121.789 119.950 0.074 0.000 2.216 358 F HA 0.075 4.601 4.527 -0.002 0.000 0.300 358 F C 2.863 178.615 175.800 -0.080 0.000 1.085 358 F CA 0.736 58.774 58.000 0.063 0.000 1.326 358 F CB -0.733 38.346 39.000 0.131 0.000 1.027 358 F HN 0.187 nan 8.300 nan 0.000 0.497 359 G N -0.355 108.500 108.800 0.092 0.000 2.421 359 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.216 359 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.216 359 G C 1.937 176.842 174.900 0.007 0.000 1.171 359 G CA 0.884 45.989 45.100 0.008 0.000 0.775 359 G HN 0.445 nan 8.290 nan 0.000 0.543 360 A N 1.192 124.014 122.820 0.003 0.000 1.902 360 A HA 0.243 4.562 4.320 -0.002 0.000 0.217 360 A C 2.825 180.407 177.584 -0.003 0.000 1.181 360 A CA 2.315 54.348 52.037 -0.007 0.000 0.623 360 A CB -0.820 18.143 19.000 -0.061 0.000 0.818 360 A HN 0.819 nan 8.150 nan 0.000 0.443 361 A N -0.183 122.638 122.820 0.001 0.000 1.902 361 A HA -0.162 4.157 4.320 -0.002 0.000 0.217 361 A C 2.103 179.650 177.584 -0.061 0.000 1.181 361 A CA 1.811 53.848 52.037 -0.000 0.000 0.623 361 A CB -0.342 18.651 19.000 -0.011 0.000 0.818 361 A HN 0.400 nan 8.150 nan 0.000 0.443 362 K N -0.503 119.846 120.400 -0.084 0.000 2.057 362 K HA -0.047 4.271 4.320 -0.002 0.000 0.206 362 K C 2.052 178.608 176.600 -0.073 0.000 1.050 362 K CA 1.482 57.697 56.287 -0.120 0.000 0.935 362 K CB -0.586 31.821 32.500 -0.154 0.000 0.715 362 K HN 0.596 nan 8.250 nan 0.000 0.439 363 M N 0.525 120.110 119.600 -0.025 0.000 2.073 363 M HA -0.186 4.293 4.480 -0.002 0.000 0.258 363 M C 2.365 178.648 176.300 -0.029 0.000 1.070 363 M CA 1.662 56.972 55.300 0.017 0.000 1.103 363 M CB -0.589 32.058 32.600 0.078 0.000 1.321 363 M HN 0.028 nan 8.290 nan 0.000 0.405 364 I N 0.231 120.772 120.570 -0.048 0.000 2.127 364 I HA -0.329 3.840 4.170 -0.002 0.000 0.241 364 I C 2.582 178.615 176.117 -0.140 0.000 1.075 364 I CA 1.710 62.953 61.300 -0.096 0.000 1.334 364 I CB -0.462 37.494 38.000 -0.073 0.000 1.040 364 I HN 0.339 nan 8.210 nan 0.000 0.405 365 R N 0.975 121.398 120.500 -0.127 0.000 2.148 365 R HA -0.082 4.257 4.340 -0.002 0.000 0.227 365 R C 2.034 178.238 176.300 -0.160 0.000 1.103 365 R CA 1.084 57.102 56.100 -0.136 0.000 0.983 365 R CB -0.584 29.645 30.300 -0.117 0.000 0.874 365 R HN 0.127 nan 8.270 nan 0.000 0.451 366 R N 0.622 121.023 120.500 -0.166 0.000 2.148 366 R HA 0.093 4.432 4.340 -0.002 0.000 0.227 366 R C 1.969 178.004 176.300 -0.441 0.000 1.103 366 R CA 1.134 57.095 56.100 -0.230 0.000 0.983 366 R CB -0.414 29.834 30.300 -0.085 0.000 0.874 366 R HN 0.418 nan 8.270 nan 0.000 0.451 367 I N -0.101 120.292 120.570 -0.296 0.000 2.867 367 I HA -0.094 4.075 4.170 -0.002 0.000 0.265 367 I C 1.733 177.774 176.117 -0.126 0.000 1.162 367 I CA 0.577 61.719 61.300 -0.264 0.000 1.471 367 I CB 0.271 38.147 38.000 -0.207 0.000 1.123 367 I HN -0.125 nan 8.210 nan 0.000 0.440 368 V N -2.780 117.087 119.914 -0.079 0.000 3.432 368 V HA 0.535 4.654 4.120 -0.002 0.000 0.298 368 V C 0.810 177.069 176.094 0.275 0.000 1.464 368 V CA -0.034 62.371 62.300 0.175 0.000 1.046 368 V CB -0.502 31.298 31.823 -0.038 0.000 0.887 368 V HN 0.139 nan 8.190 nan 0.000 0.441 369 G N -0.281 108.583 108.800 0.107 0.000 2.671 369 G HA2 0.416 4.375 3.960 -0.002 0.000 0.275 369 G HA3 0.416 4.375 3.960 -0.002 0.000 0.275 369 G C 0.588 175.656 174.900 0.279 0.000 1.368 369 G CA 0.292 45.487 45.100 0.159 0.000 1.044 369 G HN 0.123 nan 8.290 nan 0.000 0.543 370 V N -0.376 119.680 119.914 0.236 0.000 2.548 370 V HA 0.333 4.452 4.120 -0.002 0.000 0.249 370 V C 1.421 177.667 176.094 0.253 0.000 1.055 370 V CA 1.908 64.364 62.300 0.261 0.000 1.065 370 V CB -0.371 31.607 31.823 0.258 0.000 0.681 370 V HN 0.828 nan 8.190 nan 0.000 0.462 371 A N -0.005 122.925 122.820 0.182 0.000 2.277 371 A HA 0.557 4.876 4.320 -0.002 0.000 0.318 371 A C -0.275 177.387 177.584 0.129 0.000 1.339 371 A CA -0.550 51.563 52.037 0.127 0.000 0.875 371 A CB 0.037 19.037 19.000 0.000 0.000 1.158 371 A HN 0.650 nan 8.150 nan 0.000 0.514 372 H N 0.559 119.642 119.070 0.021 0.000 2.500 372 H HA 0.560 5.115 4.556 -0.002 0.000 0.351 372 H C 0.080 175.427 175.328 0.032 0.000 1.281 372 H CA -0.374 55.704 56.048 0.051 0.000 1.368 372 H CB 1.948 31.760 29.762 0.084 0.000 1.616 372 H HN 0.587 nan 8.280 nan 0.000 0.591 373 V N -1.189 118.827 119.914 0.169 0.000 2.667 373 V HA 0.164 4.283 4.120 -0.002 0.000 0.308 373 V C 1.028 177.190 176.094 0.114 0.000 1.048 373 V CA -0.757 61.591 62.300 0.081 0.000 0.928 373 V CB 1.916 33.747 31.823 0.012 0.000 1.004 373 V HN 0.923 nan 8.190 nan 0.000 0.444 374 E N 1.252 121.486 120.200 0.056 0.000 2.204 374 E HA -0.225 4.124 4.350 -0.002 0.000 0.195 374 E C 1.271 177.905 176.600 0.057 0.000 0.990 374 E CA 1.990 58.428 56.400 0.064 0.000 0.821 374 E CB 0.137 29.860 29.700 0.038 0.000 0.750 374 E HN 0.993 nan 8.360 nan 0.000 0.477 375 D N -0.469 119.907 120.400 -0.040 0.000 2.158 375 D HA -0.192 4.447 4.640 -0.002 0.000 0.197 375 D C 1.245 177.513 176.300 -0.053 0.000 0.995 375 D CA 1.335 55.254 54.000 -0.136 0.000 0.846 375 D CB -0.172 40.385 40.800 -0.405 0.000 0.941 375 D HN 0.282 nan 8.370 nan 0.000 0.456 376 F N 0.435 120.478 119.950 0.155 0.000 2.383 376 F HA 0.157 4.683 4.527 -0.002 0.000 0.287 376 F C 2.284 178.142 175.800 0.097 0.000 1.069 376 F CA 0.275 58.348 58.000 0.120 0.000 1.402 376 F CB -0.199 38.866 39.000 0.109 0.000 1.116 376 F HN -0.221 nan 8.300 nan 0.000 0.549 377 E N 0.366 120.737 120.200 0.285 0.000 2.204 377 E HA -0.139 4.210 4.350 -0.002 0.000 0.195 377 E C 2.163 178.839 176.600 0.127 0.000 0.990 377 E CA 1.420 57.927 56.400 0.178 0.000 0.821 377 E CB -0.613 29.174 29.700 0.145 0.000 0.750 377 E HN 0.398 nan 8.360 nan 0.000 0.477 378 S N 0.180 115.968 115.700 0.147 0.000 2.561 378 S HA 0.029 4.498 4.470 -0.002 0.000 0.225 378 S C 1.100 175.761 174.600 0.102 0.000 0.977 378 S CA -0.146 58.140 58.200 0.143 0.000 0.926 378 S CB -0.406 62.910 63.200 0.194 0.000 0.769 378 S HN 0.071 nan 8.310 nan 0.000 0.533 379 I N 2.929 123.517 120.570 0.030 0.000 2.406 379 I HA 0.150 4.319 4.170 -0.002 0.000 0.293 379 I C 1.722 177.827 176.117 -0.021 0.000 1.101 379 I CA -0.267 60.978 61.300 -0.092 0.000 1.334 379 I CB 0.690 38.620 38.000 -0.118 0.000 1.421 379 I HN 0.186 nan 8.210 nan 0.000 0.513 380 E N 5.805 125.991 120.200 -0.024 0.000 2.072 380 E HA -0.163 4.185 4.350 -0.002 0.000 0.191 380 E C 0.645 177.240 176.600 -0.009 0.000 0.985 380 E CA 0.932 57.330 56.400 -0.004 0.000 0.801 380 E CB 0.270 29.969 29.700 -0.001 0.000 0.750 380 E HN 0.680 nan 8.360 nan 0.000 0.452 381 E N 1.147 121.329 120.200 -0.030 0.000 2.299 381 E HA -0.042 4.307 4.350 -0.002 0.000 0.272 381 E C 0.155 176.719 176.600 -0.059 0.000 1.043 381 E CA -0.373 56.005 56.400 -0.037 0.000 0.895 381 E CB 0.662 30.331 29.700 -0.052 0.000 1.011 381 E HN 0.032 nan 8.360 nan 0.000 0.432 382 D N 4.276 124.654 120.400 -0.036 0.000 2.104 382 D HA -0.204 4.435 4.640 -0.002 0.000 0.194 382 D C 1.516 177.638 176.300 -0.296 0.000 0.994 382 D CA 1.246 55.217 54.000 -0.048 0.000 0.830 382 D CB 0.069 40.940 40.800 0.119 0.000 0.959 382 D HN 0.481 nan 8.370 nan 0.000 0.452 383 K N 0.682 120.791 120.400 -0.485 0.000 2.032 383 K HA -0.171 4.148 4.320 -0.002 0.000 0.209 383 K C 2.210 178.550 176.600 -0.434 0.000 1.048 383 K CA 1.067 56.847 56.287 -0.845 0.000 0.927 383 K CB 0.069 32.255 32.500 -0.522 0.000 0.712 383 K HN -0.060 nan 8.250 nan 0.000 0.441 384 R N 0.657 121.016 120.500 -0.236 0.000 2.081 384 R HA -0.125 4.214 4.340 -0.002 0.000 0.235 384 R C 2.499 178.730 176.300 -0.114 0.000 1.131 384 R CA 1.475 57.488 56.100 -0.144 0.000 0.960 384 R CB -0.172 30.067 30.300 -0.102 0.000 0.856 384 R HN 0.149 nan 8.270 nan 0.000 0.436 385 R N 0.052 120.489 120.500 -0.104 0.000 2.083 385 R HA -0.141 4.198 4.340 -0.002 0.000 0.237 385 R C 2.083 178.327 176.300 -0.094 0.000 1.137 385 R CA 1.702 57.780 56.100 -0.037 0.000 0.951 385 R CB -0.370 29.931 30.300 0.003 0.000 0.851 385 R HN 0.319 nan 8.270 nan 0.000 0.434 386 A N 1.011 123.737 122.820 -0.156 0.000 1.940 386 A HA -0.150 4.169 4.320 -0.002 0.000 0.219 386 A C 2.150 179.653 177.584 -0.136 0.000 1.176 386 A CA 1.469 53.420 52.037 -0.144 0.000 0.631 386 A CB -0.497 18.416 19.000 -0.146 0.000 0.814 386 A HN 0.386 nan 8.150 nan 0.000 0.446 387 I N -0.622 119.869 120.570 -0.132 0.000 2.179 387 I HA -0.344 3.825 4.170 -0.002 0.000 0.242 387 I C 2.514 178.601 176.117 -0.050 0.000 1.088 387 I CA 1.326 62.578 61.300 -0.079 0.000 1.357 387 I CB -0.542 37.420 38.000 -0.063 0.000 1.051 387 I HN 0.385 nan 8.210 nan 0.000 0.409 388 C N 0.579 119.869 119.300 -0.016 0.000 2.429 388 C HA -0.133 4.326 4.460 -0.002 0.000 0.277 388 C C 2.682 177.623 174.990 -0.082 0.000 1.262 388 C CA 0.764 59.835 59.018 0.088 0.000 1.733 388 C CB -1.084 26.818 27.740 0.269 0.000 2.010 388 C HN 0.495 nan 8.230 nan 0.000 0.483 389 E N 0.367 120.352 120.200 -0.358 0.000 2.077 389 E HA -0.227 4.122 4.350 -0.002 0.000 0.193 389 E C 2.370 178.757 176.600 -0.356 0.000 0.989 389 E CA 0.949 56.965 56.400 -0.641 0.000 0.800 389 E CB -0.255 29.093 29.700 -0.587 0.000 0.746 389 E HN 0.555 nan 8.360 nan 0.000 0.452 390 R N 0.732 121.097 120.500 -0.224 0.000 2.081 390 R HA -0.134 4.205 4.340 -0.002 0.000 0.235 390 R C 2.349 178.534 176.300 -0.192 0.000 1.131 390 R CA 1.691 57.688 56.100 -0.172 0.000 0.960 390 R CB -0.108 30.129 30.300 -0.106 0.000 0.856 390 R HN -0.012 nan 8.270 nan 0.000 0.436 391 S N 0.405 115.990 115.700 -0.191 0.000 2.359 391 S HA -0.191 4.278 4.470 -0.002 0.000 0.224 391 S C 1.990 176.175 174.600 -0.692 0.000 1.035 391 S CA 1.381 59.414 58.200 -0.278 0.000 1.018 391 S CB -0.345 62.799 63.200 -0.094 0.000 0.876 391 S HN 0.601 nan 8.310 nan 0.000 0.448 392 A N 1.083 123.438 122.820 -0.775 0.000 1.902 392 A HA -0.070 4.249 4.320 -0.002 0.000 0.217 392 A C 2.128 179.526 177.584 -0.310 0.000 1.181 392 A CA 1.483 53.065 52.037 -0.759 0.000 0.623 392 A CB -0.723 18.204 19.000 -0.123 0.000 0.818 392 A HN 0.418 nan 8.150 nan 0.000 0.443 393 L N -0.252 120.823 121.223 -0.247 0.000 2.056 393 L HA -0.110 4.229 4.340 -0.002 0.000 0.207 393 L C 2.215 179.004 176.870 -0.135 0.000 1.078 393 L CA 2.136 56.876 54.840 -0.166 0.000 0.749 393 L CB -0.657 41.293 42.059 -0.182 0.000 0.901 393 L HN 0.349 nan 8.230 nan 0.000 0.433 394 E N -0.768 119.346 120.200 -0.143 0.000 2.077 394 E HA -0.273 4.076 4.350 -0.002 0.000 0.193 394 E C 2.142 178.705 176.600 -0.061 0.000 0.989 394 E CA 1.531 57.875 56.400 -0.092 0.000 0.800 394 E CB -0.598 29.060 29.700 -0.069 0.000 0.746 394 E HN 0.542 nan 8.360 nan 0.000 0.452 395 F N 1.562 121.396 119.950 -0.193 0.000 2.095 395 F HA -0.217 4.309 4.527 -0.002 0.000 0.298 395 F C 2.268 178.036 175.800 -0.053 0.000 1.104 395 F CA 1.745 59.685 58.000 -0.099 0.000 1.232 395 F CB -0.343 38.601 39.000 -0.094 0.000 0.987 395 F HN -0.010 nan 8.300 nan 0.000 0.475 396 A N 0.204 122.984 122.820 -0.067 0.000 1.930 396 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 396 A C 2.250 179.742 177.584 -0.155 0.000 1.175 396 A CA 1.732 53.707 52.037 -0.102 0.000 0.627 396 A CB -0.632 18.368 19.000 0.001 0.000 0.815 396 A HN 0.468 nan 8.150 nan 0.000 0.443 397 K N -1.016 119.308 120.400 -0.126 0.000 2.025 397 K HA -0.114 4.205 4.320 -0.002 0.000 0.207 397 K C 2.195 178.715 176.600 -0.133 0.000 1.049 397 K CA 1.396 57.624 56.287 -0.099 0.000 0.933 397 K CB -0.317 32.136 32.500 -0.077 0.000 0.714 397 K HN 0.489 nan 8.250 nan 0.000 0.438 398 M N 1.454 120.948 119.600 -0.178 0.000 2.080 398 M HA -0.169 4.310 4.480 -0.002 0.000 0.260 398 M C 2.134 178.305 176.300 -0.214 0.000 1.068 398 M CA 1.572 56.763 55.300 -0.182 0.000 1.109 398 M CB -0.498 31.995 32.600 -0.180 0.000 1.342 398 M HN 0.142 nan 8.290 nan 0.000 0.405 399 L N 0.905 121.906 121.223 -0.371 0.000 2.017 399 L HA -0.174 4.165 4.340 -0.002 0.000 0.208 399 L C 2.323 179.101 176.870 -0.154 0.000 1.073 399 L CA 1.513 56.172 54.840 -0.301 0.000 0.745 399 L CB -1.247 40.500 42.059 -0.520 0.000 0.894 399 L HN 0.396 nan 8.230 nan 0.000 0.432 400 L N -0.319 120.816 121.223 -0.146 0.000 2.012 400 L HA -0.249 4.090 4.340 -0.002 0.000 0.210 400 L C 2.427 179.234 176.870 -0.105 0.000 1.073 400 L CA 1.950 56.727 54.840 -0.104 0.000 0.748 400 L CB -0.735 41.283 42.059 -0.069 0.000 0.891 400 L HN 0.291 nan 8.230 nan 0.000 0.431 401 K N -0.860 119.478 120.400 -0.104 0.000 2.116 401 K HA -0.026 4.293 4.320 -0.002 0.000 0.203 401 K C 1.413 177.942 176.600 -0.118 0.000 1.052 401 K CA 1.395 57.621 56.287 -0.101 0.000 0.952 401 K CB 0.034 32.480 32.500 -0.090 0.000 0.729 401 K HN 0.452 nan 8.250 nan 0.000 0.446 402 E N 0.405 120.533 120.200 -0.120 0.000 2.538 402 E HA 0.013 4.362 4.350 -0.002 0.000 0.207 402 E C 1.321 177.821 176.600 -0.167 0.000 1.002 402 E CA -0.217 56.087 56.400 -0.160 0.000 0.952 402 E CB 0.556 30.147 29.700 -0.181 0.000 1.031 402 E HN 0.252 nan 8.360 nan 0.000 0.476 403 R N 1.269 121.725 120.500 -0.074 0.000 2.139 403 R HA -0.117 4.221 4.340 -0.002 0.000 0.243 403 R C 1.614 177.778 176.300 -0.227 0.000 1.145 403 R CA 1.122 57.252 56.100 0.049 0.000 0.976 403 R CB -0.440 29.850 30.300 -0.016 0.000 0.866 403 R HN 0.040 nan 8.270 nan 0.000 0.449 404 R N 1.532 121.738 120.500 -0.490 0.000 2.285 404 R HA -0.053 4.286 4.340 -0.002 0.000 0.213 404 R C 2.126 178.116 176.300 -0.516 0.000 1.068 404 R CA 1.427 56.974 56.100 -0.923 0.000 1.004 404 R CB -0.156 29.833 30.300 -0.519 0.000 0.873 404 R HN 0.490 nan 8.270 nan 0.000 0.467 405 K N 0.321 120.486 120.400 -0.391 0.000 2.296 405 K HA -0.021 4.298 4.320 -0.002 0.000 0.200 405 K C -0.250 176.168 176.600 -0.302 0.000 1.048 405 K CA 0.544 56.616 56.287 -0.358 0.000 0.966 405 K CB 0.124 32.344 32.500 -0.466 0.000 0.754 405 K HN -0.084 nan 8.250 nan 0.000 0.466 406 F N 2.592 122.518 119.950 -0.039 0.000 2.438 406 F HA 0.222 4.748 4.527 -0.003 0.000 0.356 406 F C 1.129 177.003 175.800 0.123 0.000 1.099 406 F CA -0.364 57.652 58.000 0.028 0.000 1.185 406 F CB 1.491 40.486 39.000 -0.009 0.000 1.115 406 F HN -0.133 nan 8.300 nan 0.000 0.526 407 K N 0.926 121.467 120.400 0.234 0.000 2.361 407 K HA 0.137 4.456 4.320 -0.002 0.000 0.194 407 K C 0.039 176.698 176.600 0.098 0.000 1.032 407 K CA 0.323 56.697 56.287 0.145 0.000 1.048 407 K CB 0.339 32.898 32.500 0.098 0.000 0.842 407 K HN 0.644 nan 8.250 nan 0.000 0.526 408 S N -1.025 114.733 115.700 0.097 0.000 2.565 408 S HA 0.221 4.690 4.470 -0.002 0.000 0.269 408 S C 0.302 174.863 174.600 -0.064 0.000 1.153 408 S CA -0.881 57.337 58.200 0.030 0.000 0.835 408 S CB 0.928 64.169 63.200 0.068 0.000 1.122 408 S HN -0.035 nan 8.310 nan 0.000 0.462 409 I N 2.415 122.906 120.570 -0.132 0.000 2.361 409 I HA 0.127 4.296 4.170 -0.002 0.000 0.251 409 I C 2.234 178.283 176.117 -0.113 0.000 1.133 409 I CA 2.177 63.363 61.300 -0.190 0.000 1.413 409 I CB -0.890 37.039 38.000 -0.117 0.000 1.073 409 I HN 0.970 nan 8.210 nan 0.000 0.424 410 G N -0.244 108.536 108.800 -0.034 0.000 2.476 410 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.218 410 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.218 410 G C 1.554 176.440 174.900 -0.023 0.000 1.164 410 G CA 0.982 46.066 45.100 -0.028 0.000 0.768 410 G HN 0.508 nan 8.290 nan 0.000 0.560 411 E N -0.145 120.071 120.200 0.028 0.000 2.110 411 E HA -0.079 4.270 4.350 -0.002 0.000 0.193 411 E C 2.729 179.344 176.600 0.025 0.000 0.988 411 E CA 0.881 57.357 56.400 0.128 0.000 0.804 411 E CB -0.103 29.785 29.700 0.312 0.000 0.745 411 E HN 0.335 nan 8.360 nan 0.000 0.458 412 V N 0.826 120.575 119.914 -0.276 0.000 2.343 412 V HA -0.225 3.894 4.120 -0.002 0.000 0.247 412 V C 2.317 178.255 176.094 -0.260 0.000 1.051 412 V CA 1.277 63.253 62.300 -0.540 0.000 1.036 412 V CB -0.352 31.130 31.823 -0.569 0.000 0.654 412 V HN 0.137 nan 8.190 nan 0.000 0.451 413 V N -0.077 119.698 119.914 -0.231 0.000 2.343 413 V HA -0.239 3.880 4.120 -0.002 0.000 0.247 413 V C 2.585 178.557 176.094 -0.204 0.000 1.051 413 V CA 2.294 64.434 62.300 -0.267 0.000 1.036 413 V CB -0.576 31.110 31.823 -0.228 0.000 0.654 413 V HN 0.566 nan 8.190 nan 0.000 0.451 414 S N 0.252 115.897 115.700 -0.091 0.000 2.370 414 S HA -0.207 4.262 4.470 -0.002 0.000 0.226 414 S C 2.206 176.818 174.600 0.021 0.000 1.033 414 S CA 1.488 59.674 58.200 -0.024 0.000 1.011 414 S CB -0.493 62.726 63.200 0.032 0.000 0.852 414 S HN 0.671 nan 8.310 nan 0.000 0.457 415 A N 1.346 124.221 122.820 0.092 0.000 1.933 415 A HA -0.021 4.298 4.320 -0.002 0.000 0.218 415 A C 2.054 179.749 177.584 0.184 0.000 1.175 415 A CA 1.083 53.260 52.037 0.233 0.000 0.628 415 A CB -0.690 18.570 19.000 0.435 0.000 0.814 415 A HN 0.485 nan 8.150 nan 0.000 0.444 416 I N -0.600 119.902 120.570 -0.113 0.000 2.163 416 I HA -0.352 3.817 4.170 -0.002 0.000 0.243 416 I C 2.819 178.760 176.117 -0.293 0.000 1.085 416 I CA 1.759 62.739 61.300 -0.533 0.000 1.347 416 I CB -0.477 36.881 38.000 -1.070 0.000 1.044 416 I HN 0.444 nan 8.210 nan 0.000 0.408 417 Q N 0.224 119.889 119.800 -0.224 0.000 2.084 417 Q HA -0.271 4.068 4.340 -0.002 0.000 0.202 417 Q C 2.566 178.601 176.000 0.059 0.000 0.978 417 Q CA 2.172 57.943 55.803 -0.053 0.000 0.844 417 Q CB -0.377 28.329 28.738 -0.053 0.000 0.898 417 Q HN 0.682 nan 8.270 nan 0.000 0.426 418 Q N 0.868 120.711 119.800 0.071 0.000 2.364 418 Q HA -0.123 4.216 4.340 -0.002 0.000 0.207 418 Q C 1.228 177.315 176.000 0.145 0.000 0.970 418 Q CA 1.462 57.327 55.803 0.103 0.000 0.888 418 Q CB -0.430 28.369 28.738 0.101 0.000 0.951 418 Q HN 0.351 nan 8.270 nan 0.000 0.469 419 Q N 0.000 119.923 119.800 0.205 0.000 2.315 419 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 419 Q CA 0.000 55.964 55.803 0.268 0.000 1.022 419 Q CB 0.000 28.996 28.738 0.430 0.000 1.108 419 Q HN 0.000 nan 8.270 nan 0.000 0.481