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 2vpz_1_C DATA FIRST_RESID 2 DATA SEQUENCE AEFYGLPNAQ EFWHWTNALH FVLVGLAGGV ALLAALLHLK GDAEARRYTL DATA SEQUENCE YALMLIALDL FILWAESPAR FRFTHIWLFL SFHPTSPIWW GAWGLGLGFL DATA SEQUENCE TGGLLYLGKG SQRALAWALL VFSLVALSYP GLALAVNLNR PLWNGLMAGL DATA SEQUENCE FPLTALVLAL GLAALLKSPW ALFPLRVLAG ASLLLALLYP LTLPPEARGH DATA SEQUENCE LLEEAGFWYG LFLLLGLGTF WQERLAPWAG LLAAAGLRAL LVLAGQWQGL DATA SEQUENCE G 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.345 177.584 -0.398 0.000 1.274 2 A CA 0.000 51.871 52.037 -0.277 0.000 0.836 2 A CB 0.000 18.903 19.000 -0.162 0.000 0.831 3 E N -0.173 119.731 120.200 -0.494 0.000 2.191 3 E HA 0.698 5.048 4.350 -0.000 0.000 0.274 3 E C -1.573 174.594 176.600 -0.723 0.000 0.948 3 E CA -0.175 55.951 56.400 -0.458 0.000 0.802 3 E CB 1.439 30.945 29.700 -0.324 0.000 1.137 3 E HN 0.341 nan 8.360 nan 0.000 0.397 4 F N 0.318 120.121 119.950 -0.245 0.000 2.611 4 F HA 0.428 4.955 4.527 -0.000 0.000 0.324 4 F C -0.511 175.042 175.800 -0.411 0.000 1.061 4 F CA -0.941 56.915 58.000 -0.240 0.000 0.954 4 F CB 1.344 40.283 39.000 -0.102 0.000 1.301 4 F HN 0.295 nan 8.300 nan 0.000 0.482 5 Y N 0.793 121.223 120.300 0.216 0.000 2.338 5 Y HA 0.536 5.086 4.550 -0.000 0.000 0.328 5 Y C 0.613 176.580 175.900 0.112 0.000 0.965 5 Y CA -0.304 57.867 58.100 0.118 0.000 1.208 5 Y CB 1.387 39.888 38.460 0.068 0.000 1.132 5 Y HN 0.906 nan 8.280 nan 0.000 0.469 6 G N 2.414 111.342 108.800 0.214 0.000 2.584 6 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.229 6 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.229 6 G C -1.597 173.320 174.900 0.028 0.000 1.320 6 G CA -0.677 44.485 45.100 0.102 0.000 0.891 6 G HN 0.617 nan 8.290 nan 0.000 0.573 7 L N 0.511 121.683 121.223 -0.085 0.000 2.506 7 L HA 0.534 4.874 4.340 -0.000 0.000 0.257 7 L C -2.087 174.610 176.870 -0.288 0.000 0.964 7 L CA -1.711 52.941 54.840 -0.314 0.000 0.836 7 L CB 2.448 44.355 42.059 -0.255 0.000 1.384 7 L HN 0.688 nan 8.230 nan 0.000 0.410 8 P HA 0.234 nan 4.420 nan 0.000 0.276 8 P C -1.124 176.070 177.300 -0.178 0.000 1.244 8 P CA -0.509 62.449 63.100 -0.236 0.000 0.801 8 P CB 0.480 32.036 31.700 -0.238 0.000 1.006 9 N N 0.404 119.038 118.700 -0.111 0.000 3.124 9 N HA 0.302 5.042 4.740 -0.000 0.000 0.284 9 N C 0.418 175.893 175.510 -0.058 0.000 1.209 9 N CA -0.214 52.790 53.050 -0.076 0.000 1.149 9 N CB -0.112 38.338 38.487 -0.063 0.000 1.434 9 N HN 0.393 nan 8.380 nan 0.000 0.529 10 A N 1.004 123.789 122.820 -0.059 0.000 2.545 10 A HA 0.007 4.327 4.320 -0.000 0.000 0.277 10 A C 0.656 178.255 177.584 0.026 0.000 1.301 10 A CA -0.428 51.596 52.037 -0.021 0.000 0.935 10 A CB 0.024 18.997 19.000 -0.046 0.000 1.093 10 A HN 0.451 nan 8.150 nan 0.000 0.519 11 Q N 0.453 120.274 119.800 0.036 0.000 2.260 11 Q HA 0.226 4.566 4.340 -0.000 0.000 0.238 11 Q C -0.230 175.810 176.000 0.066 0.000 0.948 11 Q CA -0.517 55.317 55.803 0.051 0.000 0.895 11 Q CB 0.588 29.357 28.738 0.051 0.000 1.218 11 Q HN 0.442 nan 8.270 nan 0.000 0.470 12 E N 1.442 121.646 120.200 0.005 0.000 2.585 12 E HA -0.088 4.262 4.350 -0.000 0.000 0.252 12 E C -0.362 176.123 176.600 -0.192 0.000 0.981 12 E CA 0.026 56.330 56.400 -0.159 0.000 0.943 12 E CB 0.106 29.764 29.700 -0.070 0.000 0.923 12 E HN 0.613 nan 8.360 nan 0.000 0.486 13 F N 3.401 123.195 119.950 -0.261 0.000 2.656 13 F HA 0.335 4.862 4.527 -0.000 0.000 0.291 13 F C 0.080 175.608 175.800 -0.454 0.000 1.122 13 F CA -0.906 56.877 58.000 -0.362 0.000 1.427 13 F CB 0.277 39.013 39.000 -0.440 0.000 1.125 13 F HN 0.183 nan 8.300 nan 0.000 0.583 14 W N 3.522 124.422 121.300 -0.667 0.000 2.424 14 W HA 0.376 5.035 4.660 -0.000 0.000 0.318 14 W C -0.087 176.128 176.519 -0.508 0.000 1.016 14 W CA -1.580 55.487 57.345 -0.463 0.000 1.268 14 W CB 0.068 29.399 29.460 -0.216 0.000 1.297 14 W HN -0.017 nan 8.180 nan 0.000 0.428 15 H N 2.098 121.236 119.070 0.113 0.000 2.437 15 H HA 0.049 4.605 4.556 -0.000 0.000 0.338 15 H C 1.669 177.006 175.328 0.015 0.000 1.495 15 H CA -0.163 55.907 56.048 0.035 0.000 1.453 15 H CB 0.389 30.129 29.762 -0.036 0.000 1.707 15 H HN 0.605 nan 8.280 nan 0.000 0.655 16 W N 0.200 121.609 121.300 0.183 0.000 2.350 16 W HA -0.184 4.476 4.660 -0.000 0.000 0.289 16 W C 1.065 177.652 176.519 0.113 0.000 1.215 16 W CA 1.377 58.786 57.345 0.106 0.000 1.236 16 W CB -1.570 27.932 29.460 0.069 0.000 1.130 16 W HN 0.319 nan 8.180 nan 0.000 0.541 17 T N 1.957 115.898 114.554 -1.021 0.000 2.652 17 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 17 T C 1.569 176.058 174.700 -0.353 0.000 1.039 17 T CA 2.494 63.935 62.100 -1.098 0.000 1.153 17 T CB -0.430 67.854 68.868 -0.974 0.000 0.863 17 T HN 0.231 nan 8.240 nan 0.000 0.428 18 N N 0.164 118.763 118.700 -0.168 0.000 2.216 18 N HA 0.057 4.797 4.740 -0.000 0.000 0.183 18 N C 1.904 177.496 175.510 0.137 0.000 1.017 18 N CA 0.933 53.961 53.050 -0.037 0.000 0.861 18 N CB -0.193 38.239 38.487 -0.093 0.000 0.986 18 N HN 0.356 nan 8.380 nan 0.000 0.428 19 A N 0.661 123.546 122.820 0.107 0.000 1.978 19 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 19 A C 2.095 179.806 177.584 0.212 0.000 1.170 19 A CA 0.848 52.977 52.037 0.153 0.000 0.636 19 A CB -0.687 18.386 19.000 0.122 0.000 0.810 19 A HN 0.402 nan 8.150 nan 0.000 0.448 20 L N -1.089 120.235 121.223 0.168 0.000 2.005 20 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 20 L C 2.622 179.578 176.870 0.144 0.000 1.072 20 L CA 2.521 57.454 54.840 0.155 0.000 0.744 20 L CB -0.675 41.469 42.059 0.142 0.000 0.895 20 L HN 0.788 nan 8.230 nan 0.000 0.433 21 H N -0.952 118.142 119.070 0.039 0.000 2.353 21 H HA -0.288 4.268 4.556 -0.000 0.000 0.298 21 H C 2.016 177.335 175.328 -0.014 0.000 1.103 21 H CA 2.377 58.422 56.048 -0.005 0.000 1.293 21 H CB -0.323 29.402 29.762 -0.062 0.000 1.372 21 H HN 0.288 nan 8.280 nan 0.000 0.501 22 F N -0.023 119.996 119.950 0.115 0.000 2.134 22 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 22 F C 2.556 178.345 175.800 -0.018 0.000 1.097 22 F CA 1.317 59.353 58.000 0.061 0.000 1.264 22 F CB -0.352 38.713 39.000 0.107 0.000 1.001 22 F HN 0.099 nan 8.300 nan 0.000 0.479 23 V N -0.719 119.282 119.914 0.146 0.000 2.427 23 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 23 V C 2.224 178.302 176.094 -0.026 0.000 1.051 23 V CA 1.173 63.496 62.300 0.038 0.000 1.048 23 V CB -0.554 31.285 31.823 0.027 0.000 0.666 23 V HN 0.175 nan 8.190 nan 0.000 0.456 24 L N -0.353 120.839 121.223 -0.052 0.000 2.027 24 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 24 L C 2.455 179.247 176.870 -0.130 0.000 1.074 24 L CA 1.589 56.380 54.840 -0.082 0.000 0.745 24 L CB -0.842 41.177 42.059 -0.067 0.000 0.898 24 L HN 0.184 nan 8.230 nan 0.000 0.433 25 V N -0.307 119.450 119.914 -0.261 0.000 2.720 25 V HA -0.192 3.928 4.120 -0.000 0.000 0.256 25 V C 2.266 178.293 176.094 -0.112 0.000 1.082 25 V CA 1.736 63.898 62.300 -0.229 0.000 1.101 25 V CB -0.592 30.988 31.823 -0.404 0.000 0.693 25 V HN 0.562 nan 8.190 nan 0.000 0.479 26 G N -0.605 108.137 108.800 -0.096 0.000 2.414 26 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 26 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 26 G C 1.527 176.411 174.900 -0.026 0.000 1.188 26 G CA 1.040 46.111 45.100 -0.049 0.000 0.783 26 G HN 0.477 nan 8.290 nan 0.000 0.537 27 L N 0.631 121.835 121.223 -0.031 0.000 1.989 27 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 27 L C 3.463 180.344 176.870 0.019 0.000 1.071 27 L CA 1.345 56.178 54.840 -0.012 0.000 0.749 27 L CB -0.443 41.601 42.059 -0.024 0.000 0.890 27 L HN 0.334 nan 8.230 nan 0.000 0.431 28 A N 0.015 122.842 122.820 0.012 0.000 1.849 28 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 28 A C 2.333 179.960 177.584 0.073 0.000 1.202 28 A CA 2.140 54.204 52.037 0.045 0.000 0.629 28 A CB -1.599 17.419 19.000 0.030 0.000 0.834 28 A HN 0.498 nan 8.150 nan 0.000 0.447 29 G N -1.043 107.796 108.800 0.064 0.000 2.476 29 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.218 29 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.218 29 G C 1.524 176.474 174.900 0.083 0.000 1.164 29 G CA 1.410 46.562 45.100 0.087 0.000 0.768 29 G HN 0.863 nan 8.290 nan 0.000 0.560 30 G N -0.213 108.625 108.800 0.063 0.000 2.448 30 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.218 30 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.218 30 G C 1.653 176.608 174.900 0.093 0.000 1.135 30 G CA 0.991 46.129 45.100 0.062 0.000 0.784 30 G HN 0.344 nan 8.290 nan 0.000 0.543 31 V N 1.050 121.035 119.914 0.119 0.000 2.591 31 V HA 0.041 4.161 4.120 -0.000 0.000 0.249 31 V C 3.149 179.354 176.094 0.185 0.000 1.053 31 V CA 1.550 63.967 62.300 0.194 0.000 1.068 31 V CB -0.151 31.806 31.823 0.222 0.000 0.689 31 V HN 0.427 nan 8.190 nan 0.000 0.462 32 A N -0.277 122.627 122.820 0.140 0.000 2.015 32 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 32 A C 2.090 179.728 177.584 0.089 0.000 1.163 32 A CA 1.644 53.754 52.037 0.123 0.000 0.646 32 A CB -0.360 18.716 19.000 0.127 0.000 0.806 32 A HN 0.463 nan 8.150 nan 0.000 0.448 33 L N -0.388 120.879 121.223 0.074 0.000 2.072 33 L HA 0.002 4.342 4.340 -0.000 0.000 0.205 33 L C 2.221 179.083 176.870 -0.014 0.000 1.079 33 L CA 1.379 56.238 54.840 0.031 0.000 0.752 33 L CB -0.347 41.731 42.059 0.033 0.000 0.906 33 L HN 0.368 nan 8.230 nan 0.000 0.436 34 L N -0.430 120.794 121.223 0.002 0.000 2.012 34 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 34 L C 2.712 179.506 176.870 -0.127 0.000 1.073 34 L CA 1.454 56.238 54.840 -0.093 0.000 0.748 34 L CB -1.148 40.892 42.059 -0.032 0.000 0.891 34 L HN 0.399 nan 8.230 nan 0.000 0.431 35 A N -0.028 122.814 122.820 0.037 0.000 1.940 35 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 35 A C 2.517 180.152 177.584 0.085 0.000 1.176 35 A CA 1.841 53.942 52.037 0.107 0.000 0.631 35 A CB -0.609 18.510 19.000 0.198 0.000 0.814 35 A HN 0.445 nan 8.150 nan 0.000 0.446 36 A N -0.208 122.617 122.820 0.009 0.000 1.855 36 A HA -0.014 4.306 4.320 -0.000 0.000 0.215 36 A C 2.125 179.618 177.584 -0.152 0.000 1.191 36 A CA 1.437 53.437 52.037 -0.061 0.000 0.613 36 A CB -0.643 18.311 19.000 -0.077 0.000 0.829 36 A HN 0.461 nan 8.150 nan 0.000 0.442 37 L N -0.646 120.465 121.223 -0.186 0.000 2.191 37 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 37 L C 2.472 179.168 176.870 -0.290 0.000 1.103 37 L CA 0.683 55.372 54.840 -0.252 0.000 0.769 37 L CB -0.460 41.457 42.059 -0.236 0.000 0.908 37 L HN 0.384 nan 8.230 nan 0.000 0.438 38 L N -1.401 119.647 121.223 -0.291 0.000 2.068 38 L HA -0.179 4.161 4.340 -0.000 0.000 0.204 38 L C 2.502 179.214 176.870 -0.263 0.000 1.076 38 L CA 1.044 55.678 54.840 -0.344 0.000 0.753 38 L CB -0.540 41.291 42.059 -0.379 0.000 0.910 38 L HN 0.199 nan 8.230 nan 0.000 0.439 39 H N -0.848 118.105 119.070 -0.195 0.000 2.422 39 H HA -0.188 4.368 4.556 -0.000 0.000 0.298 39 H C 1.914 177.119 175.328 -0.206 0.000 1.098 39 H CA 1.377 57.326 56.048 -0.166 0.000 1.315 39 H CB 0.149 29.826 29.762 -0.142 0.000 1.382 39 H HN 0.051 nan 8.280 nan 0.000 0.523 40 L N 0.368 121.489 121.223 -0.169 0.000 2.156 40 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 40 L C 1.656 178.405 176.870 -0.201 0.000 1.095 40 L CA 1.553 56.234 54.840 -0.264 0.000 0.770 40 L CB -0.196 41.585 42.059 -0.463 0.000 0.914 40 L HN 0.123 nan 8.230 nan 0.000 0.439 41 K N -0.457 119.823 120.400 -0.201 0.000 2.444 41 K HA 0.233 4.553 4.320 -0.000 0.000 0.193 41 K C 1.264 177.779 176.600 -0.141 0.000 1.024 41 K CA 0.720 56.907 56.287 -0.168 0.000 1.077 41 K CB -0.223 32.155 32.500 -0.202 0.000 0.833 41 K HN 0.314 nan 8.250 nan 0.000 0.517 42 G N 2.680 111.393 108.800 -0.145 0.000 2.168 42 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 42 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 42 G C -0.091 174.725 174.900 -0.140 0.000 0.997 42 G CA 0.540 45.566 45.100 -0.124 0.000 0.708 42 G HN 0.445 nan 8.290 nan 0.000 0.520 43 D N 0.072 120.365 120.400 -0.178 0.000 2.414 43 D HA 0.460 5.100 4.640 -0.000 0.000 0.242 43 D C 1.678 177.888 176.300 -0.151 0.000 1.129 43 D CA 0.363 54.266 54.000 -0.162 0.000 0.885 43 D CB 1.035 41.704 40.800 -0.219 0.000 1.198 43 D HN 0.343 nan 8.370 nan 0.000 0.437 44 A N 4.312 127.079 122.820 -0.088 0.000 2.024 44 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 44 A C 1.711 179.268 177.584 -0.044 0.000 1.164 44 A CA 1.177 53.175 52.037 -0.064 0.000 0.643 44 A CB -0.306 18.679 19.000 -0.025 0.000 0.806 44 A HN 0.764 nan 8.150 nan 0.000 0.451 45 E N -0.066 120.139 120.200 0.008 0.000 2.516 45 E HA 0.049 4.399 4.350 -0.000 0.000 0.199 45 E C 1.924 178.581 176.600 0.096 0.000 1.069 45 E CA 0.441 56.913 56.400 0.121 0.000 0.876 45 E CB -0.212 29.674 29.700 0.310 0.000 0.843 45 E HN 0.648 nan 8.360 nan 0.000 0.530 46 A N 1.657 124.409 122.820 -0.114 0.000 2.070 46 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 46 A C 2.079 179.586 177.584 -0.127 0.000 1.159 46 A CA 0.882 52.766 52.037 -0.254 0.000 0.656 46 A CB -0.159 18.382 19.000 -0.765 0.000 0.800 46 A HN 0.037 nan 8.150 nan 0.000 0.453 47 R N -0.135 120.320 120.500 -0.076 0.000 2.073 47 R HA -0.088 4.252 4.340 -0.000 0.000 0.229 47 R C 2.351 178.705 176.300 0.091 0.000 1.120 47 R CA 1.594 57.721 56.100 0.046 0.000 0.967 47 R CB -0.410 29.879 30.300 -0.019 0.000 0.862 47 R HN 0.832 nan 8.270 nan 0.000 0.436 48 R N -1.249 119.211 120.500 -0.067 0.000 2.200 48 R HA -0.002 4.338 4.340 -0.000 0.000 0.208 48 R C 1.554 177.424 176.300 -0.717 0.000 1.033 48 R CA 0.865 56.740 56.100 -0.374 0.000 1.000 48 R CB -0.521 29.510 30.300 -0.448 0.000 0.906 48 R HN 0.144 nan 8.270 nan 0.000 0.462 49 Y N 2.220 122.347 120.300 -0.288 0.000 2.373 49 Y HA -0.046 4.504 4.550 -0.000 0.000 0.293 49 Y C 2.322 178.198 175.900 -0.041 0.000 1.129 49 Y CA 1.885 59.914 58.100 -0.117 0.000 1.226 49 Y CB 0.144 38.644 38.460 0.067 0.000 1.000 49 Y HN 0.088 nan 8.280 nan 0.000 0.549 50 T N 0.089 114.699 114.554 0.094 0.000 2.857 50 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 50 T C 1.911 176.558 174.700 -0.088 0.000 1.048 50 T CA 1.092 63.242 62.100 0.083 0.000 1.139 50 T CB -0.535 68.458 68.868 0.207 0.000 0.874 50 T HN 0.175 nan 8.240 nan 0.000 0.455 51 L N 0.616 121.695 121.223 -0.240 0.000 2.012 51 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 51 L C 2.091 178.888 176.870 -0.122 0.000 1.073 51 L CA 1.700 56.292 54.840 -0.413 0.000 0.748 51 L CB -0.865 40.911 42.059 -0.471 0.000 0.891 51 L HN 0.408 nan 8.230 nan 0.000 0.431 52 Y N -0.774 119.454 120.300 -0.121 0.000 2.145 52 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 52 Y C 2.531 178.419 175.900 -0.019 0.000 1.145 52 Y CA 0.407 58.459 58.100 -0.080 0.000 1.148 52 Y CB -0.548 37.846 38.460 -0.109 0.000 0.981 52 Y HN 0.368 nan 8.280 nan 0.000 0.507 53 A N 0.333 123.266 122.820 0.190 0.000 1.969 53 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 53 A C 2.168 179.821 177.584 0.115 0.000 1.169 53 A CA 1.179 53.304 52.037 0.146 0.000 0.635 53 A CB -0.904 18.181 19.000 0.142 0.000 0.810 53 A HN 0.464 nan 8.150 nan 0.000 0.445 54 L N -1.560 119.686 121.223 0.038 0.000 2.072 54 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 54 L C 2.813 179.801 176.870 0.197 0.000 1.079 54 L CA 1.305 56.152 54.840 0.012 0.000 0.752 54 L CB -0.470 41.401 42.059 -0.313 0.000 0.906 54 L HN 0.398 nan 8.230 nan 0.000 0.436 55 M N -0.478 119.184 119.600 0.103 0.000 2.132 55 M HA -0.193 4.287 4.480 -0.000 0.000 0.263 55 M C 2.228 178.583 176.300 0.091 0.000 1.065 55 M CA 1.762 57.119 55.300 0.095 0.000 1.122 55 M CB -0.217 32.418 32.600 0.058 0.000 1.365 55 M HN 0.189 nan 8.290 nan 0.000 0.411 56 L N -0.414 120.860 121.223 0.086 0.000 2.217 56 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 56 L C 2.223 179.137 176.870 0.074 0.000 1.107 56 L CA 0.721 55.598 54.840 0.061 0.000 0.783 56 L CB -0.444 41.643 42.059 0.047 0.000 0.919 56 L HN 0.322 nan 8.230 nan 0.000 0.442 57 I N -0.314 120.334 120.570 0.130 0.000 2.286 57 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 57 I C 2.764 178.900 176.117 0.032 0.000 1.104 57 I CA 1.028 62.402 61.300 0.123 0.000 1.397 57 I CB -0.450 37.718 38.000 0.280 0.000 1.072 57 I HN 0.203 nan 8.210 nan 0.000 0.417 58 A N 1.055 123.914 122.820 0.066 0.000 1.873 58 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 58 A C 2.244 179.848 177.584 0.033 0.000 1.186 58 A CA 1.382 53.395 52.037 -0.040 0.000 0.616 58 A CB -0.850 18.177 19.000 0.045 0.000 0.823 58 A HN 0.369 nan 8.150 nan 0.000 0.442 59 L N 0.174 121.434 121.223 0.062 0.000 2.079 59 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 59 L C 1.797 178.749 176.870 0.136 0.000 1.081 59 L CA 2.793 57.695 54.840 0.104 0.000 0.752 59 L CB -0.619 41.479 42.059 0.066 0.000 0.896 59 L HN 0.452 nan 8.230 nan 0.000 0.433 60 D N -1.091 119.349 120.400 0.066 0.000 2.162 60 D HA -0.129 4.511 4.640 -0.000 0.000 0.203 60 D C 2.177 178.520 176.300 0.072 0.000 0.967 60 D CA 1.191 55.209 54.000 0.029 0.000 0.840 60 D CB -0.022 40.740 40.800 -0.063 0.000 0.972 60 D HN 0.421 nan 8.370 nan 0.000 0.482 61 L N -0.434 120.819 121.223 0.049 0.000 2.093 61 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 61 L C 2.256 179.197 176.870 0.119 0.000 1.085 61 L CA 0.619 55.486 54.840 0.045 0.000 0.755 61 L CB -0.486 41.531 42.059 -0.071 0.000 0.904 61 L HN 0.069 nan 8.230 nan 0.000 0.435 62 F N 1.469 121.433 119.950 0.023 0.000 2.134 62 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 62 F C 2.274 178.191 175.800 0.194 0.000 1.097 62 F CA 1.846 59.911 58.000 0.108 0.000 1.264 62 F CB -0.099 38.938 39.000 0.060 0.000 1.001 62 F HN 0.050 nan 8.300 nan 0.000 0.479 63 I N -1.173 119.453 120.570 0.094 0.000 3.111 63 I HA -0.061 4.109 4.170 -0.000 0.000 0.272 63 I C 1.639 177.732 176.117 -0.040 0.000 1.268 63 I CA 1.041 62.314 61.300 -0.045 0.000 1.467 63 I CB -0.389 37.653 38.000 0.071 0.000 1.087 63 I HN 0.204 nan 8.210 nan 0.000 0.467 64 L N -0.394 120.867 121.223 0.064 0.000 2.156 64 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 64 L C 2.261 179.131 176.870 -0.000 0.000 1.095 64 L CA 1.394 56.276 54.840 0.071 0.000 0.770 64 L CB -0.339 41.815 42.059 0.157 0.000 0.914 64 L HN 0.605 nan 8.230 nan 0.000 0.439 65 W N -0.133 121.030 121.300 -0.228 0.000 2.525 65 W HA 0.029 4.689 4.660 -0.000 0.000 0.288 65 W C 2.238 178.532 176.519 -0.376 0.000 1.200 65 W CA 0.866 58.006 57.345 -0.341 0.000 1.349 65 W CB -0.028 29.203 29.460 -0.380 0.000 1.102 65 W HN -0.002 nan 8.180 nan 0.000 0.558 66 A N 0.297 122.730 122.820 -0.645 0.000 2.209 66 A HA -0.137 4.183 4.320 -0.000 0.000 0.212 66 A C 1.840 179.048 177.584 -0.626 0.000 1.158 66 A CA 1.656 53.152 52.037 -0.902 0.000 0.742 66 A CB -0.723 17.808 19.000 -0.782 0.000 0.790 66 A HN 0.563 nan 8.150 nan 0.000 0.472 67 E N -0.356 119.569 120.200 -0.457 0.000 2.526 67 E HA 0.090 4.440 4.350 -0.000 0.000 0.208 67 E C 0.090 176.532 176.600 -0.264 0.000 0.997 67 E CA 0.176 56.385 56.400 -0.318 0.000 0.961 67 E CB 0.016 29.570 29.700 -0.244 0.000 1.030 67 E HN 0.303 nan 8.360 nan 0.000 0.483 68 S N 1.867 117.370 115.700 -0.328 0.000 2.499 68 S HA 0.214 4.684 4.470 -0.000 0.000 0.275 68 S C -1.766 172.683 174.600 -0.251 0.000 1.257 68 S CA -1.424 56.653 58.200 -0.204 0.000 1.050 68 S CB 1.321 64.484 63.200 -0.061 0.000 0.937 68 S HN -0.027 nan 8.310 nan 0.000 0.490 69 P HA 0.022 nan 4.420 nan 0.000 0.223 69 P C 0.343 177.552 177.300 -0.150 0.000 1.144 69 P CA 0.821 63.842 63.100 -0.132 0.000 0.783 69 P CB 0.091 31.759 31.700 -0.053 0.000 0.771 70 A N -0.120 122.624 122.820 -0.126 0.000 2.610 70 A HA 0.107 4.427 4.320 -0.000 0.000 0.286 70 A C 1.984 179.488 177.584 -0.134 0.000 1.306 70 A CA -0.415 51.567 52.037 -0.092 0.000 0.942 70 A CB -0.848 18.137 19.000 -0.025 0.000 1.112 70 A HN 0.085 nan 8.150 nan 0.000 0.527 71 R N -0.461 119.791 120.500 -0.413 0.000 2.127 71 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 71 R C 0.442 176.352 176.300 -0.650 0.000 1.134 71 R CA 1.885 57.504 56.100 -0.801 0.000 0.975 71 R CB -0.414 28.994 30.300 -1.488 0.000 0.865 71 R HN 0.501 nan 8.270 nan 0.000 0.447 72 F N 0.062 119.756 119.950 -0.427 0.000 2.695 72 F HA 0.368 4.895 4.527 -0.000 0.000 0.303 72 F C 1.987 177.273 175.800 -0.856 0.000 1.091 72 F CA -0.625 56.935 58.000 -0.732 0.000 1.300 72 F CB 0.451 39.248 39.000 -0.339 0.000 1.071 72 F HN -0.155 nan 8.300 nan 0.000 0.578 73 R N 0.142 120.435 120.500 -0.345 0.000 2.297 73 R HA 0.057 4.397 4.340 -0.000 0.000 0.197 73 R C -0.070 176.249 176.300 0.031 0.000 0.943 73 R CA -0.002 56.023 56.100 -0.125 0.000 1.038 73 R CB -0.341 29.951 30.300 -0.013 0.000 0.957 73 R HN 0.220 nan 8.270 nan 0.000 0.484 74 F N 1.169 121.289 119.950 0.283 0.000 2.635 74 F HA -0.250 4.277 4.527 -0.000 0.000 0.228 74 F C 0.871 176.839 175.800 0.280 0.000 1.029 74 F CA 0.587 58.763 58.000 0.293 0.000 0.907 74 F CB -1.521 37.615 39.000 0.226 0.000 0.893 74 F HN 0.113 nan 8.300 nan 0.000 0.845 75 T N -4.949 109.876 114.554 0.452 0.000 3.010 75 T HA 0.064 4.413 4.350 -0.000 0.000 0.257 75 T C 1.074 175.997 174.700 0.372 0.000 1.020 75 T CA 0.296 62.648 62.100 0.420 0.000 0.938 75 T CB -0.076 68.957 68.868 0.275 0.000 1.049 75 T HN 0.505 nan 8.240 nan 0.000 0.522 76 H N 1.141 120.366 119.070 0.260 0.000 2.518 76 H HA 0.229 4.785 4.556 -0.000 0.000 0.289 76 H C 1.943 177.347 175.328 0.126 0.000 1.051 76 H CA 0.638 56.793 56.048 0.179 0.000 1.280 76 H CB -0.390 29.485 29.762 0.189 0.000 1.380 76 H HN 0.355 nan 8.280 nan 0.000 0.566 77 I N -0.367 120.321 120.570 0.196 0.000 2.335 77 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 77 I C 1.155 177.219 176.117 -0.087 0.000 1.129 77 I CA 1.242 62.551 61.300 0.014 0.000 1.402 77 I CB -0.056 37.836 38.000 -0.180 0.000 1.069 77 I HN 0.308 nan 8.210 nan 0.000 0.424 78 W N -0.188 121.187 121.300 0.124 0.000 2.525 78 W HA -0.152 4.508 4.660 -0.000 0.000 0.259 78 W C 2.105 178.689 176.519 0.107 0.000 1.253 78 W CA -0.183 57.233 57.345 0.118 0.000 1.262 78 W CB -0.354 29.158 29.460 0.087 0.000 1.122 78 W HN 0.154 nan 8.180 nan 0.000 0.607 79 L N -1.055 120.228 121.223 0.101 0.000 2.131 79 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 79 L C 1.459 178.160 176.870 -0.280 0.000 1.092 79 L CA 1.784 56.504 54.840 -0.199 0.000 0.759 79 L CB -0.920 40.727 42.059 -0.686 0.000 0.903 79 L HN 0.013 nan 8.230 nan 0.000 0.435 80 F N -2.447 117.586 119.950 0.138 0.000 2.695 80 F HA 0.179 4.706 4.527 -0.000 0.000 0.303 80 F C 1.350 177.340 175.800 0.317 0.000 1.091 80 F CA -0.107 57.943 58.000 0.084 0.000 1.300 80 F CB 0.174 38.986 39.000 -0.314 0.000 1.071 80 F HN -0.136 nan 8.300 nan 0.000 0.578 81 L N -0.399 121.069 121.223 0.409 0.000 2.910 81 L HA 0.275 4.615 4.340 -0.000 0.000 0.252 81 L C 0.444 177.561 176.870 0.412 0.000 1.195 81 L CA -0.187 54.847 54.840 0.323 0.000 1.003 81 L CB -0.087 42.013 42.059 0.067 0.000 1.328 81 L HN 0.049 nan 8.230 nan 0.000 0.540 82 S N -1.407 114.602 115.700 0.515 0.000 2.685 82 S HA 0.620 5.090 4.470 -0.000 0.000 0.282 82 S C -1.259 173.534 174.600 0.321 0.000 1.159 82 S CA -0.628 57.794 58.200 0.370 0.000 0.833 82 S CB 2.226 65.665 63.200 0.398 0.000 1.151 82 S HN -0.022 nan 8.310 nan 0.000 0.485 83 F N 2.361 122.070 119.950 -0.403 0.000 2.430 83 F HA 0.513 5.040 4.527 -0.000 0.000 0.362 83 F C -0.564 174.361 175.800 -1.459 0.000 1.103 83 F CA -0.623 56.899 58.000 -0.797 0.000 1.045 83 F CB 0.809 39.506 39.000 -0.506 0.000 1.276 83 F HN 0.739 nan 8.300 nan 0.000 0.444 84 H N 7.540 125.338 119.070 -2.120 0.000 2.348 84 H HA 0.236 4.792 4.556 -0.000 0.000 0.232 84 H C -1.972 172.395 175.328 -1.602 0.000 1.419 84 H CA -1.608 53.532 56.048 -1.513 0.000 1.416 84 H CB 0.680 29.943 29.762 -0.832 0.000 1.510 84 H HN 0.421 nan 8.280 nan 0.000 0.507 85 P HA -0.133 nan 4.420 nan 0.000 0.221 85 P C 1.390 178.731 177.300 0.069 0.000 1.145 85 P CA 1.159 63.824 63.100 -0.726 0.000 0.795 85 P CB -0.001 31.289 31.700 -0.683 0.000 0.775 86 T N -4.332 110.175 114.554 -0.079 0.000 3.113 86 T HA 0.049 4.399 4.350 -0.000 0.000 0.256 86 T C 1.021 175.803 174.700 0.137 0.000 1.131 86 T CA 0.017 62.152 62.100 0.057 0.000 1.074 86 T CB -0.572 68.291 68.868 -0.009 0.000 0.944 86 T HN 0.087 nan 8.240 nan 0.000 0.516 87 S N 2.231 118.033 115.700 0.169 0.000 2.423 87 S HA 0.398 4.868 4.470 -0.000 0.000 0.317 87 S C -1.737 173.117 174.600 0.424 0.000 1.065 87 S CA -1.694 56.648 58.200 0.236 0.000 1.111 87 S CB 1.246 64.536 63.200 0.150 0.000 0.968 87 S HN -0.078 nan 8.310 nan 0.000 0.474 88 P HA -0.156 nan 4.420 nan 0.000 0.216 88 P C 1.479 179.015 177.300 0.394 0.000 1.154 88 P CA 1.177 64.536 63.100 0.431 0.000 0.865 88 P CB -0.009 31.889 31.700 0.330 0.000 0.789 89 I N -2.842 117.901 120.570 0.288 0.000 2.454 89 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 89 I C 2.325 178.454 176.117 0.020 0.000 1.156 89 I CA 1.147 62.513 61.300 0.110 0.000 1.433 89 I CB -1.194 36.884 38.000 0.130 0.000 1.082 89 I HN 0.099 nan 8.210 nan 0.000 0.432 90 W N 0.923 122.213 121.300 -0.017 0.000 2.407 90 W HA -0.178 4.482 4.660 -0.000 0.000 0.305 90 W C 2.332 178.820 176.519 -0.052 0.000 1.196 90 W CA 1.043 58.361 57.345 -0.045 0.000 1.311 90 W CB -0.604 28.815 29.460 -0.068 0.000 1.135 90 W HN 0.005 nan 8.180 nan 0.000 0.514 91 W N 0.575 122.003 121.300 0.213 0.000 2.317 91 W HA -0.124 4.536 4.660 -0.000 0.000 0.318 91 W C 2.709 179.088 176.519 -0.233 0.000 1.227 91 W CA 2.386 59.758 57.345 0.045 0.000 1.269 91 W CB -1.174 28.392 29.460 0.177 0.000 1.155 91 W HN 0.019 nan 8.180 nan 0.000 0.484 92 G N -0.141 108.418 108.800 -0.403 0.000 2.469 92 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 92 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 92 G C 1.603 176.168 174.900 -0.558 0.000 1.136 92 G CA 1.493 45.918 45.100 -1.124 0.000 0.759 92 G HN 0.363 nan 8.290 nan 0.000 0.562 93 A N -0.107 122.447 122.820 -0.444 0.000 1.898 93 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 93 A C 2.161 179.585 177.584 -0.267 0.000 1.181 93 A CA 1.364 53.189 52.037 -0.354 0.000 0.620 93 A CB -0.555 18.102 19.000 -0.572 0.000 0.819 93 A HN 0.489 nan 8.150 nan 0.000 0.442 94 W N -0.191 120.847 121.300 -0.437 0.000 2.453 94 W HA 0.133 4.793 4.660 -0.000 0.000 0.289 94 W C 2.504 178.844 176.519 -0.300 0.000 1.215 94 W CA 0.971 58.092 57.345 -0.373 0.000 1.297 94 W CB -0.572 28.448 29.460 -0.732 0.000 1.113 94 W HN 0.355 nan 8.180 nan 0.000 0.551 95 G N 0.598 109.404 108.800 0.010 0.000 2.433 95 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 95 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 95 G C 1.435 176.354 174.900 0.032 0.000 1.186 95 G CA 1.235 46.379 45.100 0.074 0.000 0.779 95 G HN 0.145 nan 8.290 nan 0.000 0.543 96 L N 0.917 122.155 121.223 0.024 0.000 1.976 96 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 96 L C 3.238 180.106 176.870 -0.004 0.000 1.071 96 L CA 1.325 56.190 54.840 0.041 0.000 0.746 96 L CB -1.096 40.975 42.059 0.020 0.000 0.890 96 L HN 0.298 nan 8.230 nan 0.000 0.432 97 G N 0.483 109.221 108.800 -0.102 0.000 2.586 97 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 97 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 97 G C 1.585 176.378 174.900 -0.179 0.000 1.216 97 G CA 1.316 46.292 45.100 -0.207 0.000 0.786 97 G HN 0.266 nan 8.290 nan 0.000 0.583 98 L N 0.935 121.988 121.223 -0.284 0.000 2.131 98 L HA 0.046 4.386 4.340 -0.000 0.000 0.210 98 L C 3.139 179.901 176.870 -0.180 0.000 1.092 98 L CA 0.885 55.505 54.840 -0.367 0.000 0.759 98 L CB -0.585 40.969 42.059 -0.842 0.000 0.903 98 L HN 0.339 nan 8.230 nan 0.000 0.435 99 G N -0.828 107.933 108.800 -0.065 0.000 2.471 99 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 99 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 99 G C 1.455 176.456 174.900 0.170 0.000 1.125 99 G CA 0.241 45.465 45.100 0.207 0.000 0.775 99 G HN 0.351 nan 8.290 nan 0.000 0.548 100 F N 0.550 120.485 119.950 -0.026 0.000 2.473 100 F HA 0.293 4.820 4.527 -0.000 0.000 0.294 100 F C 2.228 178.001 175.800 -0.045 0.000 1.103 100 F CA 0.427 58.403 58.000 -0.040 0.000 1.442 100 F CB 0.168 39.122 39.000 -0.076 0.000 1.097 100 F HN 0.013 nan 8.300 nan 0.000 0.547 101 L N -0.802 120.476 121.223 0.092 0.000 2.049 101 L HA -0.134 4.206 4.340 -0.000 0.000 0.203 101 L C 2.335 179.199 176.870 -0.010 0.000 1.074 101 L CA 1.551 56.399 54.840 0.015 0.000 0.749 101 L CB -1.395 40.670 42.059 0.010 0.000 0.907 101 L HN -0.012 nan 8.230 nan 0.000 0.439 102 T N 0.199 114.789 114.554 0.060 0.000 2.665 102 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 102 T C 1.716 176.414 174.700 -0.002 0.000 1.035 102 T CA 1.690 63.843 62.100 0.089 0.000 1.151 102 T CB -0.622 68.393 68.868 0.245 0.000 0.862 102 T HN 0.580 nan 8.240 nan 0.000 0.438 103 G N 0.105 108.884 108.800 -0.035 0.000 2.650 103 G HA2 0.163 4.123 3.960 -0.000 0.000 0.214 103 G HA3 0.163 4.123 3.960 -0.000 0.000 0.214 103 G C 1.536 176.347 174.900 -0.148 0.000 1.136 103 G CA 0.734 45.778 45.100 -0.093 0.000 0.789 103 G HN 0.570 nan 8.290 nan 0.000 0.536 104 G N 1.187 109.866 108.800 -0.203 0.000 2.395 104 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.214 104 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.214 104 G C 1.674 176.542 174.900 -0.054 0.000 1.177 104 G CA 0.661 45.639 45.100 -0.203 0.000 0.794 104 G HN 0.370 nan 8.290 nan 0.000 0.532 105 L N 0.343 121.540 121.223 -0.045 0.000 2.141 105 L HA 0.081 4.421 4.340 -0.000 0.000 0.209 105 L C 2.738 179.593 176.870 -0.025 0.000 1.094 105 L CA 0.589 55.415 54.840 -0.024 0.000 0.763 105 L CB -0.517 41.532 42.059 -0.017 0.000 0.908 105 L HN 0.110 nan 8.230 nan 0.000 0.437 106 L N -1.854 119.343 121.223 -0.043 0.000 2.046 106 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 106 L C 2.614 179.496 176.870 0.019 0.000 1.077 106 L CA 1.313 56.108 54.840 -0.074 0.000 0.747 106 L CB -0.543 41.381 42.059 -0.224 0.000 0.896 106 L HN 0.214 nan 8.230 nan 0.000 0.432 107 Y N -0.060 120.197 120.300 -0.073 0.000 2.242 107 Y HA -0.159 4.391 4.550 -0.000 0.000 0.291 107 Y C 1.859 177.731 175.900 -0.047 0.000 1.137 107 Y CA 1.130 59.197 58.100 -0.054 0.000 1.181 107 Y CB 0.200 38.604 38.460 -0.092 0.000 0.989 107 Y HN 0.031 nan 8.280 nan 0.000 0.527 108 L N -0.062 121.141 121.223 -0.034 0.000 2.653 108 L HA 0.306 4.646 4.340 -0.000 0.000 0.231 108 L C 1.293 178.121 176.870 -0.069 0.000 1.153 108 L CA 0.438 55.238 54.840 -0.066 0.000 0.933 108 L CB -0.786 41.266 42.059 -0.012 0.000 1.175 108 L HN 0.245 nan 8.230 nan 0.000 0.473 109 G N 1.279 110.036 108.800 -0.071 0.000 2.332 109 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.277 109 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.277 109 G C 0.216 175.094 174.900 -0.036 0.000 0.884 109 G CA 0.595 45.664 45.100 -0.051 0.000 1.251 109 G HN 0.448 nan 8.290 nan 0.000 0.462 110 K N -0.398 119.985 120.400 -0.027 0.000 2.508 110 K HA 0.660 4.980 4.320 -0.000 0.000 0.260 110 K C 0.733 177.326 176.600 -0.012 0.000 0.949 110 K CA -0.816 55.460 56.287 -0.018 0.000 0.834 110 K CB 1.960 34.450 32.500 -0.018 0.000 1.365 110 K HN 1.317 nan 8.250 nan 0.000 0.437 111 G N 1.117 109.914 108.800 -0.005 0.000 2.246 111 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.273 111 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.273 111 G C 0.083 174.986 174.900 0.006 0.000 1.055 111 G CA 1.048 46.149 45.100 0.003 0.000 0.851 111 G HN 1.022 nan 8.290 nan 0.000 0.500 112 S N -2.627 113.075 115.700 0.003 0.000 3.983 112 S HA -0.099 4.371 4.470 -0.000 0.000 0.638 112 S C 0.500 175.100 174.600 -0.001 0.000 1.663 112 S CA 1.524 59.728 58.200 0.007 0.000 1.838 112 S CB -0.838 62.373 63.200 0.019 0.000 0.328 112 S HN 1.323 nan 8.310 nan 0.000 1.784 113 Q N -0.946 118.857 119.800 0.004 0.000 1.752 113 Q HA 0.204 4.544 4.340 -0.000 0.000 0.169 113 Q C 1.142 177.138 176.000 -0.008 0.000 0.747 113 Q CA 0.297 56.095 55.803 -0.009 0.000 0.814 113 Q CB 0.503 29.245 28.738 0.007 0.000 1.218 113 Q HN 0.569 nan 8.270 nan 0.000 0.384 114 R N 0.305 120.820 120.500 0.024 0.000 2.428 114 R HA 0.345 4.685 4.340 -0.000 0.000 0.193 114 R C 1.704 178.078 176.300 0.125 0.000 0.852 114 R CA 1.269 57.391 56.100 0.035 0.000 1.055 114 R CB -0.077 30.277 30.300 0.089 0.000 1.343 114 R HN 0.042 nan 8.270 nan 0.000 0.655 115 A N 0.671 123.572 122.820 0.136 0.000 2.121 115 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 115 A C 1.652 179.294 177.584 0.096 0.000 1.154 115 A CA 0.917 53.041 52.037 0.147 0.000 0.679 115 A CB -0.360 18.693 19.000 0.088 0.000 0.795 115 A HN 0.313 nan 8.150 nan 0.000 0.458 116 L N -1.989 119.258 121.223 0.041 0.000 2.357 116 L HA 0.107 4.447 4.340 -0.000 0.000 0.211 116 L C 2.795 179.633 176.870 -0.053 0.000 1.075 116 L CA 0.744 55.584 54.840 0.000 0.000 0.830 116 L CB -0.255 41.784 42.059 -0.033 0.000 0.996 116 L HN 0.355 nan 8.230 nan 0.000 0.467 117 A N -0.687 122.075 122.820 -0.096 0.000 2.016 117 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 117 A C 1.830 179.306 177.584 -0.180 0.000 1.162 117 A CA 0.778 52.704 52.037 -0.186 0.000 0.662 117 A CB -0.592 18.273 19.000 -0.226 0.000 0.812 117 A HN 0.498 nan 8.150 nan 0.000 0.450 118 W N -0.430 120.822 121.300 -0.080 0.000 2.453 118 W HA 0.114 4.774 4.660 -0.000 0.000 0.289 118 W C 2.675 179.094 176.519 -0.167 0.000 1.215 118 W CA 0.837 58.125 57.345 -0.095 0.000 1.297 118 W CB 0.075 29.489 29.460 -0.077 0.000 1.113 118 W HN 0.363 nan 8.180 nan 0.000 0.551 119 A N 0.087 122.923 122.820 0.026 0.000 1.858 119 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 119 A C 1.868 179.255 177.584 -0.327 0.000 1.190 119 A CA 1.622 53.498 52.037 -0.269 0.000 0.617 119 A CB -1.159 17.770 19.000 -0.118 0.000 0.827 119 A HN 0.240 nan 8.150 nan 0.000 0.443 120 L N -0.673 120.505 121.223 -0.075 0.000 2.127 120 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 120 L C 2.293 179.163 176.870 -0.001 0.000 1.089 120 L CA 1.952 56.806 54.840 0.023 0.000 0.757 120 L CB -0.540 41.520 42.059 0.001 0.000 0.899 120 L HN 0.450 nan 8.230 nan 0.000 0.434 121 L N -1.817 119.383 121.223 -0.038 0.000 2.017 121 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 121 L C 2.298 179.182 176.870 0.024 0.000 1.073 121 L CA 1.501 56.342 54.840 0.001 0.000 0.745 121 L CB -0.313 41.761 42.059 0.026 0.000 0.894 121 L HN 0.056 nan 8.230 nan 0.000 0.432 122 V N -0.689 119.190 119.914 -0.058 0.000 2.427 122 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 122 V C 2.146 178.264 176.094 0.039 0.000 1.051 122 V CA 1.967 64.227 62.300 -0.065 0.000 1.048 122 V CB -0.606 31.109 31.823 -0.180 0.000 0.666 122 V HN 0.414 nan 8.190 nan 0.000 0.456 123 F N 0.565 120.603 119.950 0.146 0.000 2.325 123 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 123 F C 2.608 178.492 175.800 0.140 0.000 1.090 123 F CA 0.895 58.987 58.000 0.153 0.000 1.392 123 F CB -0.283 38.800 39.000 0.138 0.000 1.053 123 F HN 0.300 nan 8.300 nan 0.000 0.521 124 S N 0.104 115.961 115.700 0.261 0.000 2.496 124 S HA -0.014 4.456 4.470 -0.000 0.000 0.224 124 S C 1.644 176.340 174.600 0.161 0.000 0.996 124 S CA 0.394 58.708 58.200 0.190 0.000 0.927 124 S CB -0.490 62.789 63.200 0.132 0.000 0.774 124 S HN 0.421 nan 8.310 nan 0.000 0.524 125 L N 0.711 122.028 121.223 0.156 0.000 2.249 125 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 125 L C 2.505 179.469 176.870 0.156 0.000 1.090 125 L CA 0.389 55.305 54.840 0.127 0.000 0.802 125 L CB -0.314 41.803 42.059 0.096 0.000 0.947 125 L HN 0.223 nan 8.230 nan 0.000 0.453 126 V N 0.289 120.337 119.914 0.225 0.000 2.261 126 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 126 V C 2.725 179.001 176.094 0.303 0.000 1.047 126 V CA 1.917 64.382 62.300 0.274 0.000 1.015 126 V CB -0.855 31.220 31.823 0.420 0.000 0.642 126 V HN 0.472 nan 8.190 nan 0.000 0.446 127 A N -0.788 122.211 122.820 0.299 0.000 2.019 127 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 127 A C 2.179 179.910 177.584 0.244 0.000 1.164 127 A CA 1.564 53.802 52.037 0.334 0.000 0.644 127 A CB -0.463 18.683 19.000 0.244 0.000 0.805 127 A HN 0.521 nan 8.150 nan 0.000 0.449 128 L N -1.189 120.131 121.223 0.161 0.000 2.341 128 L HA -0.007 4.333 4.340 -0.000 0.000 0.214 128 L C 2.438 179.351 176.870 0.072 0.000 1.115 128 L CA 0.935 55.829 54.840 0.089 0.000 0.820 128 L CB 0.065 42.171 42.059 0.079 0.000 0.944 128 L HN 0.291 nan 8.230 nan 0.000 0.452 129 S N -1.365 114.397 115.700 0.104 0.000 2.470 129 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 129 S C 1.738 176.384 174.600 0.077 0.000 1.024 129 S CA 0.223 58.470 58.200 0.078 0.000 0.931 129 S CB -0.045 63.193 63.200 0.063 0.000 0.791 129 S HN 0.536 nan 8.310 nan 0.000 0.513 130 Y N 2.523 122.845 120.300 0.037 0.000 2.293 130 Y HA 0.101 4.651 4.550 -0.000 0.000 0.291 130 Y C -1.316 174.568 175.900 -0.027 0.000 1.137 130 Y CA 0.793 58.914 58.100 0.034 0.000 1.202 130 Y CB -1.901 36.622 38.460 0.106 0.000 0.990 130 Y HN 0.173 nan 8.280 nan 0.000 0.537 131 P HA -0.082 nan 4.420 nan 0.000 0.214 131 P C 1.992 179.048 177.300 -0.407 0.000 1.163 131 P CA 2.621 65.279 63.100 -0.736 0.000 0.883 131 P CB -0.438 30.885 31.700 -0.629 0.000 0.788 132 G N -0.344 108.284 108.800 -0.286 0.000 2.432 132 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 132 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 132 G C 1.456 176.233 174.900 -0.206 0.000 1.135 132 G CA 0.507 45.422 45.100 -0.308 0.000 0.767 132 G HN 0.227 nan 8.290 nan 0.000 0.550 133 L N 0.311 121.473 121.223 -0.101 0.000 2.240 133 L HA 0.126 4.466 4.340 -0.000 0.000 0.211 133 L C 3.247 180.118 176.870 0.001 0.000 1.106 133 L CA 0.587 55.414 54.840 -0.022 0.000 0.793 133 L CB -0.223 41.853 42.059 0.027 0.000 0.927 133 L HN 0.290 nan 8.230 nan 0.000 0.446 134 A N 0.266 123.071 122.820 -0.026 0.000 2.015 134 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 134 A C 2.189 179.771 177.584 -0.003 0.000 1.163 134 A CA 1.153 53.222 52.037 0.054 0.000 0.646 134 A CB -0.301 18.721 19.000 0.037 0.000 0.806 134 A HN 0.331 nan 8.150 nan 0.000 0.448 135 L N -1.236 119.830 121.223 -0.263 0.000 2.062 135 L HA -0.023 4.317 4.340 -0.000 0.000 0.202 135 L C 3.024 179.853 176.870 -0.069 0.000 1.079 135 L CA 0.961 55.462 54.840 -0.564 0.000 0.755 135 L CB -0.938 40.419 42.059 -1.171 0.000 0.913 135 L HN 0.350 nan 8.230 nan 0.000 0.445 136 A N 0.468 123.261 122.820 -0.044 0.000 2.084 136 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 136 A C 2.163 179.824 177.584 0.129 0.000 1.161 136 A CA 1.897 53.992 52.037 0.097 0.000 0.653 136 A CB -0.963 18.070 19.000 0.055 0.000 0.802 136 A HN 0.407 nan 8.150 nan 0.000 0.457 137 V N -2.388 117.595 119.914 0.114 0.000 3.041 137 V HA -0.052 4.068 4.120 -0.000 0.000 0.260 137 V C 0.425 176.597 176.094 0.130 0.000 1.105 137 V CA 1.131 63.497 62.300 0.111 0.000 1.125 137 V CB -1.328 30.556 31.823 0.102 0.000 0.730 137 V HN 0.553 nan 8.190 nan 0.000 0.479 138 N N 1.478 120.295 118.700 0.195 0.000 2.968 138 N HA 0.434 5.174 4.740 -0.000 0.000 0.271 138 N C 0.570 176.187 175.510 0.177 0.000 1.174 138 N CA -0.177 52.993 53.050 0.201 0.000 1.096 138 N CB 0.565 39.255 38.487 0.338 0.000 1.403 138 N HN 0.373 nan 8.380 nan 0.000 0.522 139 L N 0.856 122.144 121.223 0.108 0.000 2.633 139 L HA -0.111 4.229 4.340 -0.000 0.000 0.235 139 L C 1.485 178.375 176.870 0.032 0.000 1.163 139 L CA 0.771 55.659 54.840 0.079 0.000 0.859 139 L CB -0.615 41.477 42.059 0.056 0.000 0.973 139 L HN 0.625 nan 8.230 nan 0.000 0.451 140 N N -0.745 117.961 118.700 0.009 0.000 2.415 140 N HA -0.050 4.690 4.740 -0.000 0.000 0.176 140 N C 0.618 176.064 175.510 -0.107 0.000 1.042 140 N CA 0.001 53.016 53.050 -0.059 0.000 0.902 140 N CB 0.123 38.565 38.487 -0.076 0.000 0.986 140 N HN 0.076 nan 8.380 nan 0.000 0.447 141 R N 1.451 121.919 120.500 -0.053 0.000 2.235 141 R HA 0.169 4.509 4.340 -0.000 0.000 0.338 141 R C -1.856 174.421 176.300 -0.039 0.000 1.087 141 R CA -1.675 54.350 56.100 -0.126 0.000 0.948 141 R CB 0.616 30.806 30.300 -0.184 0.000 1.099 141 R HN 0.229 nan 8.270 nan 0.000 0.483 142 P HA -0.132 nan 4.420 nan 0.000 0.218 142 P C 1.056 178.464 177.300 0.179 0.000 1.146 142 P CA 1.106 64.244 63.100 0.062 0.000 0.813 142 P CB 0.248 31.979 31.700 0.052 0.000 0.778 143 L N -3.240 118.092 121.223 0.182 0.000 2.270 143 L HA 0.010 4.350 4.340 -0.000 0.000 0.210 143 L C 0.893 178.045 176.870 0.471 0.000 1.104 143 L CA 0.445 55.462 54.840 0.295 0.000 0.804 143 L CB -0.590 41.619 42.059 0.251 0.000 0.937 143 L HN 0.040 nan 8.230 nan 0.000 0.450 144 W N 3.179 124.622 121.300 0.237 0.000 1.694 144 W HA 0.155 4.815 4.660 -0.000 0.000 0.425 144 W C 0.887 177.503 176.519 0.160 0.000 0.615 144 W CA -1.466 55.985 57.345 0.177 0.000 2.237 144 W CB -1.534 28.007 29.460 0.135 0.000 1.478 144 W HN 0.316 nan 8.180 nan 0.000 0.427 145 N N -1.382 117.565 118.700 0.412 0.000 2.366 145 N HA 0.278 5.018 4.740 -0.000 0.000 0.277 145 N C 1.651 177.302 175.510 0.235 0.000 1.275 145 N CA -0.018 53.206 53.050 0.288 0.000 0.964 145 N CB 0.550 39.196 38.487 0.265 0.000 1.167 145 N HN 0.054 nan 8.380 nan 0.000 0.568 146 G N 0.137 109.046 108.800 0.182 0.000 2.503 146 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.221 146 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.221 146 G C 1.343 176.331 174.900 0.148 0.000 1.131 146 G CA 0.521 45.707 45.100 0.143 0.000 0.756 146 G HN 0.527 nan 8.290 nan 0.000 0.572 147 L N 0.048 121.386 121.223 0.191 0.000 2.261 147 L HA -0.102 4.238 4.340 -0.000 0.000 0.216 147 L C 2.848 179.813 176.870 0.158 0.000 1.114 147 L CA 0.632 55.584 54.840 0.187 0.000 0.777 147 L CB -0.198 42.021 42.059 0.267 0.000 0.910 147 L HN 0.238 nan 8.230 nan 0.000 0.440 148 M N -1.124 118.570 119.600 0.156 0.000 2.279 148 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 148 M C 2.339 178.723 176.300 0.141 0.000 1.062 148 M CA 1.582 56.971 55.300 0.149 0.000 1.099 148 M CB -1.245 31.358 32.600 0.006 0.000 1.394 148 M HN 0.262 nan 8.290 nan 0.000 0.426 149 A N -0.429 122.449 122.820 0.096 0.000 2.167 149 A HA 0.214 4.534 4.320 -0.000 0.000 0.214 149 A C 2.304 179.947 177.584 0.099 0.000 1.151 149 A CA 1.443 53.526 52.037 0.078 0.000 0.735 149 A CB -0.826 18.207 19.000 0.055 0.000 0.802 149 A HN 0.515 nan 8.150 nan 0.000 0.467 150 G N -0.818 108.051 108.800 0.115 0.000 2.641 150 G HA2 0.128 4.088 3.960 -0.000 0.000 0.207 150 G HA3 0.128 4.088 3.960 -0.000 0.000 0.207 150 G C 1.405 176.362 174.900 0.094 0.000 1.137 150 G CA 0.344 45.502 45.100 0.097 0.000 0.824 150 G HN 0.326 nan 8.290 nan 0.000 0.547 151 L N -0.302 120.992 121.223 0.118 0.000 2.093 151 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 151 L C 2.595 179.461 176.870 -0.007 0.000 1.085 151 L CA 0.815 55.685 54.840 0.051 0.000 0.755 151 L CB -0.334 41.747 42.059 0.037 0.000 0.904 151 L HN 0.105 nan 8.230 nan 0.000 0.435 152 F N -0.078 119.856 119.950 -0.026 0.000 2.163 152 F HA -0.042 4.485 4.527 -0.000 0.000 0.297 152 F C -0.149 175.633 175.800 -0.029 0.000 1.094 152 F CA 0.921 58.904 58.000 -0.028 0.000 1.290 152 F CB -1.884 37.099 39.000 -0.029 0.000 1.017 152 F HN 0.048 nan 8.300 nan 0.000 0.483 153 P HA -0.135 nan 4.420 nan 0.000 0.215 153 P C 1.972 179.281 177.300 0.015 0.000 1.157 153 P CA 1.469 64.603 63.100 0.057 0.000 0.863 153 P CB -0.026 31.709 31.700 0.059 0.000 0.787 154 L N -1.731 119.494 121.223 0.004 0.000 2.131 154 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 154 L C 2.358 179.196 176.870 -0.053 0.000 1.092 154 L CA 1.508 56.338 54.840 -0.017 0.000 0.759 154 L CB -1.158 40.896 42.059 -0.008 0.000 0.903 154 L HN 0.036 nan 8.230 nan 0.000 0.435 155 T N -0.930 113.564 114.554 -0.099 0.000 2.985 155 T HA 0.012 4.362 4.350 -0.000 0.000 0.266 155 T C 1.846 176.471 174.700 -0.124 0.000 1.076 155 T CA 0.971 62.980 62.100 -0.152 0.000 1.135 155 T CB 0.091 68.787 68.868 -0.287 0.000 0.890 155 T HN 0.409 nan 8.240 nan 0.000 0.480 156 A N 0.714 123.483 122.820 -0.085 0.000 2.014 156 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 156 A C 2.122 179.687 177.584 -0.031 0.000 1.163 156 A CA 0.898 52.904 52.037 -0.051 0.000 0.652 156 A CB -0.482 18.509 19.000 -0.016 0.000 0.808 156 A HN 0.505 nan 8.150 nan 0.000 0.449 157 L N -0.796 120.411 121.223 -0.028 0.000 2.095 157 L HA -0.089 4.251 4.340 -0.000 0.000 0.204 157 L C 2.418 179.269 176.870 -0.032 0.000 1.080 157 L CA 0.730 55.561 54.840 -0.015 0.000 0.759 157 L CB -0.538 41.516 42.059 -0.009 0.000 0.914 157 L HN 0.203 nan 8.230 nan 0.000 0.439 158 V N 0.338 120.218 119.914 -0.056 0.000 2.392 158 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 158 V C 2.406 178.448 176.094 -0.086 0.000 1.059 158 V CA 1.540 63.795 62.300 -0.075 0.000 1.051 158 V CB -0.449 31.320 31.823 -0.091 0.000 0.658 158 V HN 0.344 nan 8.190 nan 0.000 0.455 159 L N 0.013 121.187 121.223 -0.082 0.000 2.027 159 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 159 L C 2.792 179.625 176.870 -0.062 0.000 1.074 159 L CA 1.639 56.429 54.840 -0.083 0.000 0.745 159 L CB -0.881 41.133 42.059 -0.075 0.000 0.898 159 L HN 0.355 nan 8.230 nan 0.000 0.433 160 A N 0.234 123.041 122.820 -0.022 0.000 1.877 160 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 160 A C 2.229 179.833 177.584 0.033 0.000 1.186 160 A CA 1.448 53.501 52.037 0.028 0.000 0.620 160 A CB -0.755 18.286 19.000 0.067 0.000 0.822 160 A HN 0.354 nan 8.150 nan 0.000 0.443 161 L N -0.708 120.519 121.223 0.008 0.000 2.141 161 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 161 L C 2.756 179.572 176.870 -0.090 0.000 1.094 161 L CA 0.847 55.681 54.840 -0.011 0.000 0.763 161 L CB -0.633 41.423 42.059 -0.005 0.000 0.908 161 L HN 0.498 nan 8.230 nan 0.000 0.437 162 G N -0.174 108.554 108.800 -0.119 0.000 2.408 162 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 162 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 162 G C 1.578 176.330 174.900 -0.247 0.000 1.150 162 G CA 0.221 45.205 45.100 -0.194 0.000 0.776 162 G HN 0.201 nan 8.290 nan 0.000 0.542 163 L N 0.683 121.794 121.223 -0.187 0.000 2.044 163 L HA 0.053 4.393 4.340 -0.000 0.000 0.205 163 L C 3.154 179.943 176.870 -0.135 0.000 1.075 163 L CA 1.801 56.526 54.840 -0.192 0.000 0.747 163 L CB -0.747 41.235 42.059 -0.129 0.000 0.903 163 L HN 0.317 nan 8.230 nan 0.000 0.435 164 A N 0.037 122.839 122.820 -0.030 0.000 1.948 164 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 164 A C 2.362 179.840 177.584 -0.177 0.000 1.177 164 A CA 1.930 53.978 52.037 0.018 0.000 0.636 164 A CB -0.760 18.230 19.000 -0.018 0.000 0.815 164 A HN 0.584 nan 8.150 nan 0.000 0.449 165 A N -0.856 121.830 122.820 -0.224 0.000 2.066 165 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 165 A C 2.075 179.530 177.584 -0.214 0.000 1.157 165 A CA 1.105 52.999 52.037 -0.239 0.000 0.670 165 A CB -0.399 18.472 19.000 -0.215 0.000 0.804 165 A HN 0.468 nan 8.150 nan 0.000 0.453 166 L N -0.643 120.435 121.223 -0.242 0.000 2.131 166 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 166 L C 1.711 178.493 176.870 -0.146 0.000 1.087 166 L CA 0.601 55.296 54.840 -0.242 0.000 0.767 166 L CB -0.320 41.505 42.059 -0.390 0.000 0.917 166 L HN 0.331 nan 8.230 nan 0.000 0.441 167 L N -0.112 121.031 121.223 -0.133 0.000 2.650 167 L HA -0.023 4.317 4.340 -0.000 0.000 0.235 167 L C 0.600 177.433 176.870 -0.062 0.000 1.149 167 L CA 0.032 54.825 54.840 -0.078 0.000 0.887 167 L CB -0.349 41.678 42.059 -0.054 0.000 1.021 167 L HN 0.236 nan 8.230 nan 0.000 0.441 168 K N -1.012 119.326 120.400 -0.103 0.000 3.209 168 K HA -0.143 4.177 4.320 -0.000 0.000 0.289 168 K C 0.189 176.695 176.600 -0.157 0.000 1.191 168 K CA 0.413 56.633 56.287 -0.111 0.000 0.851 168 K CB -2.217 30.245 32.500 -0.063 0.000 1.242 168 K HN 0.289 nan 8.250 nan 0.000 0.480 169 S N 1.749 117.297 115.700 -0.253 0.000 2.516 169 S HA 0.152 4.622 4.470 -0.000 0.000 0.282 169 S C -0.957 173.272 174.600 -0.618 0.000 1.286 169 S CA -1.057 56.856 58.200 -0.479 0.000 1.066 169 S CB 1.136 63.835 63.200 -0.834 0.000 0.884 169 S HN 0.066 nan 8.310 nan 0.000 0.491 170 P HA -0.069 nan 4.420 nan 0.000 0.216 170 P C 0.254 177.446 177.300 -0.180 0.000 1.150 170 P CA 0.783 63.751 63.100 -0.221 0.000 0.837 170 P CB -0.027 31.644 31.700 -0.047 0.000 0.786 171 W N -0.791 120.519 121.300 0.017 0.000 2.433 171 W HA 0.656 5.316 4.660 -0.000 0.000 0.331 171 W C -0.076 176.447 176.519 0.007 0.000 1.110 171 W CA -0.427 56.931 57.345 0.021 0.000 1.450 171 W CB 0.073 29.527 29.460 -0.009 0.000 1.348 171 W HN 0.095 nan 8.180 nan 0.000 0.415 172 A N 2.722 125.592 122.820 0.084 0.000 2.973 172 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 172 A C 0.907 178.477 177.584 -0.024 0.000 2.234 172 A CA 0.236 52.274 52.037 0.002 0.000 1.408 172 A CB -1.134 17.637 19.000 -0.381 0.000 0.698 172 A HN 0.518 nan 8.150 nan 0.000 0.460 173 L N -0.089 121.111 121.223 -0.038 0.000 2.362 173 L HA 0.211 4.551 4.340 -0.000 0.000 0.219 173 L C 1.698 178.637 176.870 0.114 0.000 1.134 173 L CA 2.626 57.467 54.840 0.001 0.000 0.807 173 L CB -0.467 41.584 42.059 -0.013 0.000 0.927 173 L HN 0.622 nan 8.230 nan 0.000 0.447 174 F N 1.157 121.121 119.950 0.023 0.000 2.243 174 F HA 0.225 4.752 4.527 -0.000 0.000 0.287 174 F C -0.767 175.073 175.800 0.067 0.000 1.067 174 F CA -0.146 57.887 58.000 0.054 0.000 1.304 174 F CB -1.660 37.374 39.000 0.056 0.000 1.087 174 F HN 0.054 nan 8.300 nan 0.000 0.513 175 P HA -0.181 nan 4.420 nan 0.000 0.218 175 P C 2.113 179.323 177.300 -0.150 0.000 1.148 175 P CA 1.320 64.273 63.100 -0.244 0.000 0.822 175 P CB -0.283 31.395 31.700 -0.037 0.000 0.784 176 L N 0.148 121.326 121.223 -0.076 0.000 2.079 176 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 176 L C 2.504 179.342 176.870 -0.053 0.000 1.081 176 L CA 1.840 56.640 54.840 -0.067 0.000 0.752 176 L CB -0.759 41.254 42.059 -0.077 0.000 0.896 176 L HN -0.215 nan 8.230 nan 0.000 0.433 177 R N -1.339 119.153 120.500 -0.013 0.000 2.119 177 R HA -0.023 4.317 4.340 -0.000 0.000 0.222 177 R C 2.091 178.508 176.300 0.196 0.000 1.088 177 R CA 1.209 57.409 56.100 0.166 0.000 0.984 177 R CB -0.423 30.056 30.300 0.297 0.000 0.884 177 R HN 0.312 nan 8.270 nan 0.000 0.447 178 V N 1.650 121.524 119.914 -0.067 0.000 2.244 178 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 178 V C 2.294 178.373 176.094 -0.026 0.000 1.042 178 V CA 1.618 63.852 62.300 -0.109 0.000 1.006 178 V CB -0.415 31.218 31.823 -0.316 0.000 0.641 178 V HN 0.254 nan 8.190 nan 0.000 0.446 179 L N 0.129 121.324 121.223 -0.048 0.000 2.191 179 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 179 L C 2.567 179.443 176.870 0.010 0.000 1.103 179 L CA 1.310 56.138 54.840 -0.021 0.000 0.769 179 L CB -0.679 41.358 42.059 -0.037 0.000 0.908 179 L HN 0.378 nan 8.230 nan 0.000 0.438 180 A N 0.017 122.857 122.820 0.034 0.000 2.016 180 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 180 A C 2.369 180.063 177.584 0.184 0.000 1.162 180 A CA 1.166 53.228 52.037 0.041 0.000 0.662 180 A CB -0.749 18.207 19.000 -0.073 0.000 0.812 180 A HN 0.397 nan 8.150 nan 0.000 0.450 181 G N -0.310 108.666 108.800 0.294 0.000 2.403 181 G HA2 0.087 4.047 3.960 -0.000 0.000 0.216 181 G HA3 0.087 4.047 3.960 -0.000 0.000 0.216 181 G C 1.707 176.676 174.900 0.114 0.000 1.154 181 G CA 1.223 46.481 45.100 0.264 0.000 0.784 181 G HN 0.670 nan 8.290 nan 0.000 0.538 182 A N 1.167 124.030 122.820 0.072 0.000 1.845 182 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 182 A C 2.711 180.325 177.584 0.050 0.000 1.195 182 A CA 2.343 54.407 52.037 0.046 0.000 0.616 182 A CB -0.854 18.162 19.000 0.026 0.000 0.832 182 A HN 0.307 nan 8.150 nan 0.000 0.443 183 S N 0.175 115.897 115.700 0.036 0.000 2.365 183 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 183 S C 1.784 176.403 174.600 0.032 0.000 1.039 183 S CA 1.769 59.978 58.200 0.014 0.000 1.033 183 S CB -0.557 62.628 63.200 -0.026 0.000 0.887 183 S HN 0.479 nan 8.310 nan 0.000 0.447 184 L N 0.366 121.625 121.223 0.060 0.000 2.217 184 L HA 0.011 4.351 4.340 -0.000 0.000 0.211 184 L C 2.301 179.225 176.870 0.090 0.000 1.107 184 L CA 0.361 55.245 54.840 0.073 0.000 0.783 184 L CB -0.432 41.695 42.059 0.113 0.000 0.919 184 L HN 0.232 nan 8.230 nan 0.000 0.442 185 L N 0.022 121.298 121.223 0.088 0.000 2.023 185 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 185 L C 2.310 179.242 176.870 0.104 0.000 1.073 185 L CA 1.707 56.598 54.840 0.085 0.000 0.745 185 L CB -0.401 41.696 42.059 0.063 0.000 0.900 185 L HN 0.085 nan 8.230 nan 0.000 0.435 186 L N -0.580 120.703 121.223 0.100 0.000 2.083 186 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 186 L C 2.614 179.596 176.870 0.187 0.000 1.083 186 L CA 1.205 56.121 54.840 0.128 0.000 0.752 186 L CB -1.255 40.866 42.059 0.103 0.000 0.899 186 L HN 0.380 nan 8.230 nan 0.000 0.433 187 A N 0.180 123.098 122.820 0.162 0.000 1.969 187 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 187 A C 2.235 180.039 177.584 0.367 0.000 1.169 187 A CA 1.306 53.479 52.037 0.228 0.000 0.635 187 A CB -0.435 18.597 19.000 0.052 0.000 0.810 187 A HN 0.352 nan 8.150 nan 0.000 0.445 188 L N -0.599 120.775 121.223 0.251 0.000 2.179 188 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 188 L C 1.827 178.826 176.870 0.215 0.000 1.096 188 L CA 1.444 56.429 54.840 0.242 0.000 0.779 188 L CB -0.226 41.925 42.059 0.153 0.000 0.922 188 L HN 0.357 nan 8.230 nan 0.000 0.443 189 L N -1.914 119.427 121.223 0.197 0.000 2.558 189 L HA -0.035 4.305 4.340 -0.000 0.000 0.225 189 L C 2.202 179.184 176.870 0.186 0.000 1.128 189 L CA 0.138 55.071 54.840 0.154 0.000 0.868 189 L CB -0.872 41.263 42.059 0.126 0.000 1.006 189 L HN 0.273 nan 8.230 nan 0.000 0.454 190 Y N 2.921 123.310 120.300 0.149 0.000 2.053 190 Y HA -0.163 4.387 4.550 -0.000 0.000 0.277 190 Y C -0.494 175.463 175.900 0.095 0.000 1.159 190 Y CA 1.586 59.777 58.100 0.151 0.000 1.125 190 Y CB -1.639 36.959 38.460 0.231 0.000 0.969 190 Y HN 0.102 nan 8.280 nan 0.000 0.492 191 P HA -0.176 nan 4.420 nan 0.000 0.218 191 P C 1.537 178.694 177.300 -0.238 0.000 1.146 191 P CA 1.833 64.674 63.100 -0.432 0.000 0.813 191 P CB -0.220 31.328 31.700 -0.254 0.000 0.778 192 L N -2.217 118.939 121.223 -0.111 0.000 2.552 192 L HA 0.004 4.344 4.340 -0.000 0.000 0.227 192 L C 1.869 178.717 176.870 -0.037 0.000 1.146 192 L CA 0.995 55.806 54.840 -0.048 0.000 0.858 192 L CB -0.850 41.210 42.059 0.001 0.000 0.969 192 L HN -0.021 nan 8.230 nan 0.000 0.451 193 T N -0.057 114.461 114.554 -0.061 0.000 3.086 193 T HA 0.286 4.636 4.350 -0.000 0.000 0.250 193 T C 0.610 175.290 174.700 -0.033 0.000 1.074 193 T CA -0.008 62.085 62.100 -0.012 0.000 0.988 193 T CB 0.020 68.923 68.868 0.058 0.000 0.988 193 T HN -0.000 nan 8.240 nan 0.000 0.530 194 L N 1.962 123.128 121.223 -0.095 0.000 2.344 194 L HA 0.500 4.840 4.340 -0.000 0.000 0.272 194 L C -2.211 174.649 176.870 -0.016 0.000 1.035 194 L CA -2.558 52.245 54.840 -0.061 0.000 0.807 194 L CB 0.939 42.917 42.059 -0.134 0.000 1.237 194 L HN -0.135 nan 8.230 nan 0.000 0.442 195 P HA 0.120 nan 4.420 nan 0.000 0.269 195 P C -2.091 175.228 177.300 0.031 0.000 1.209 195 P CA -1.089 62.029 63.100 0.030 0.000 0.776 195 P CB 0.151 31.879 31.700 0.047 0.000 0.876 196 P HA -0.275 nan 4.420 nan 0.000 0.219 196 P C 1.034 178.358 177.300 0.040 0.000 1.161 196 P CA 1.842 64.955 63.100 0.021 0.000 0.909 196 P CB -0.079 31.633 31.700 0.020 0.000 0.793 197 E N -0.473 119.775 120.200 0.079 0.000 2.153 197 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 197 E C 2.071 178.785 176.600 0.189 0.000 0.988 197 E CA 1.511 57.992 56.400 0.135 0.000 0.811 197 E CB -1.313 28.490 29.700 0.172 0.000 0.746 197 E HN 0.252 nan 8.360 nan 0.000 0.466 198 A N 1.221 124.169 122.820 0.214 0.000 1.898 198 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 198 A C 2.210 179.815 177.584 0.035 0.000 1.183 198 A CA 1.415 53.593 52.037 0.234 0.000 0.622 198 A CB -0.430 18.745 19.000 0.290 0.000 0.824 198 A HN 0.175 nan 8.150 nan 0.000 0.444 199 R N -0.286 120.206 120.500 -0.013 0.000 2.081 199 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 199 R C 2.153 178.402 176.300 -0.086 0.000 1.131 199 R CA 1.717 57.764 56.100 -0.089 0.000 0.960 199 R CB -0.730 29.514 30.300 -0.093 0.000 0.856 199 R HN 0.405 nan 8.270 nan 0.000 0.436 200 G N -0.513 108.257 108.800 -0.049 0.000 2.422 200 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 200 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 200 G C 1.241 176.078 174.900 -0.105 0.000 1.140 200 G CA 1.155 46.221 45.100 -0.057 0.000 0.775 200 G HN 0.546 nan 8.290 nan 0.000 0.545 201 H N -0.058 118.859 119.070 -0.256 0.000 2.333 201 H HA 0.056 4.612 4.556 -0.000 0.000 0.302 201 H C 2.336 177.456 175.328 -0.348 0.000 1.075 201 H CA 1.363 57.136 56.048 -0.458 0.000 1.348 201 H CB -0.243 28.860 29.762 -1.098 0.000 1.393 201 H HN 0.187 nan 8.280 nan 0.000 0.509 202 L N 0.365 121.429 121.223 -0.264 0.000 2.013 202 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 202 L C 2.107 178.863 176.870 -0.189 0.000 1.073 202 L CA 1.706 56.425 54.840 -0.202 0.000 0.753 202 L CB -0.740 41.249 42.059 -0.118 0.000 0.890 202 L HN 0.421 nan 8.230 nan 0.000 0.432 203 L N -0.852 120.273 121.223 -0.163 0.000 2.017 203 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 203 L C 2.544 179.355 176.870 -0.099 0.000 1.073 203 L CA 1.765 56.541 54.840 -0.106 0.000 0.745 203 L CB -0.745 41.264 42.059 -0.084 0.000 0.894 203 L HN 0.360 nan 8.230 nan 0.000 0.432 204 E N -0.090 120.020 120.200 -0.151 0.000 2.023 204 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 204 E C 2.171 178.683 176.600 -0.147 0.000 1.003 204 E CA 1.402 57.716 56.400 -0.144 0.000 0.809 204 E CB 0.002 29.602 29.700 -0.166 0.000 0.755 204 E HN 0.405 nan 8.360 nan 0.000 0.449 205 E N 0.139 120.180 120.200 -0.265 0.000 2.150 205 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 205 E C 0.853 177.444 176.600 -0.016 0.000 0.985 205 E CA 0.963 57.242 56.400 -0.202 0.000 0.814 205 E CB 0.129 29.588 29.700 -0.401 0.000 0.752 205 E HN 0.213 nan 8.360 nan 0.000 0.466 206 A N -0.955 121.878 122.820 0.021 0.000 3.988 206 A HA 0.680 5.000 4.320 -0.000 0.000 0.178 206 A C 1.038 178.740 177.584 0.197 0.000 0.740 206 A CA 0.376 52.540 52.037 0.212 0.000 0.806 206 A CB 0.524 19.671 19.000 0.244 0.000 1.517 206 A HN 0.192 nan 8.150 nan 0.000 0.811 207 G N -0.944 108.015 108.800 0.264 0.000 4.315 207 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.280 207 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.280 207 G C 1.160 176.185 174.900 0.208 0.000 1.649 207 G CA 1.080 46.312 45.100 0.220 0.000 1.108 207 G HN 1.888 nan 8.290 nan 0.000 0.667 208 F N 1.278 121.203 119.950 -0.042 0.000 2.146 208 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 208 F C 2.220 177.804 175.800 -0.360 0.000 1.053 208 F CA 3.078 60.950 58.000 -0.215 0.000 1.285 208 F CB -0.293 38.504 39.000 -0.338 0.000 1.039 208 F HN 0.439 nan 8.300 nan 0.000 0.497 209 W N -1.848 119.453 121.300 0.003 0.000 2.480 209 W HA -0.070 4.590 4.660 -0.000 0.000 0.299 209 W C 2.390 178.701 176.519 -0.348 0.000 1.187 209 W CA 1.007 58.200 57.345 -0.252 0.000 1.347 209 W CB -1.037 28.433 29.460 0.017 0.000 1.121 209 W HN 0.065 nan 8.180 nan 0.000 0.533 210 Y N 0.914 121.300 120.300 0.143 0.000 2.049 210 Y HA -0.215 4.335 4.550 -0.000 0.000 0.277 210 Y C 2.521 178.456 175.900 0.059 0.000 1.143 210 Y CA 2.471 60.690 58.100 0.199 0.000 1.115 210 Y CB -0.983 37.596 38.460 0.198 0.000 0.975 210 Y HN -0.080 nan 8.280 nan 0.000 0.487 211 G N -0.266 108.622 108.800 0.147 0.000 2.462 211 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 211 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 211 G C 1.569 176.368 174.900 -0.169 0.000 1.121 211 G CA 1.104 46.205 45.100 0.002 0.000 0.758 211 G HN 0.457 nan 8.290 nan 0.000 0.559 212 L N -0.984 120.018 121.223 -0.369 0.000 2.131 212 L HA 0.275 4.615 4.340 -0.000 0.000 0.206 212 L C 2.269 179.001 176.870 -0.230 0.000 1.087 212 L CA 1.240 55.812 54.840 -0.445 0.000 0.767 212 L CB -0.298 41.309 42.059 -0.753 0.000 0.917 212 L HN 0.119 nan 8.230 nan 0.000 0.441 213 F N -0.668 119.244 119.950 -0.063 0.000 2.325 213 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 213 F C 2.151 177.888 175.800 -0.105 0.000 1.090 213 F CA 0.792 58.750 58.000 -0.070 0.000 1.392 213 F CB -0.795 38.153 39.000 -0.086 0.000 1.053 213 F HN 0.018 nan 8.300 nan 0.000 0.521 214 L N -0.876 120.367 121.223 0.034 0.000 2.005 214 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 214 L C 2.472 179.364 176.870 0.036 0.000 1.072 214 L CA 1.094 55.941 54.840 0.011 0.000 0.744 214 L CB -0.815 41.253 42.059 0.016 0.000 0.895 214 L HN 0.112 nan 8.230 nan 0.000 0.433 215 L N -0.607 120.622 121.223 0.010 0.000 1.955 215 L HA -0.295 4.045 4.340 -0.000 0.000 0.213 215 L C 2.668 179.563 176.870 0.042 0.000 1.072 215 L CA 1.303 56.151 54.840 0.013 0.000 0.755 215 L CB -0.679 41.360 42.059 -0.033 0.000 0.888 215 L HN 0.307 nan 8.230 nan 0.000 0.432 216 L N 0.157 121.412 121.223 0.053 0.000 2.026 216 L HA -0.299 4.041 4.340 -0.000 0.000 0.231 216 L C 2.480 179.393 176.870 0.071 0.000 1.095 216 L CA 2.442 57.337 54.840 0.092 0.000 0.810 216 L CB -1.476 40.686 42.059 0.171 0.000 0.909 216 L HN 0.446 nan 8.230 nan 0.000 0.444 217 G N -0.807 108.023 108.800 0.051 0.000 2.516 217 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.221 217 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.221 217 G C 1.581 176.442 174.900 -0.065 0.000 1.107 217 G CA 0.437 45.526 45.100 -0.017 0.000 0.747 217 G HN 0.382 nan 8.290 nan 0.000 0.567 218 L N 0.498 121.744 121.223 0.038 0.000 2.376 218 L HA 0.063 4.403 4.340 -0.000 0.000 0.219 218 L C 2.821 179.747 176.870 0.094 0.000 1.133 218 L CA 0.568 55.487 54.840 0.131 0.000 0.816 218 L CB -0.244 41.915 42.059 0.166 0.000 0.933 218 L HN 0.316 nan 8.230 nan 0.000 0.449 219 G N -0.970 107.872 108.800 0.071 0.000 2.848 219 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.208 219 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.208 219 G C 1.346 176.258 174.900 0.021 0.000 1.152 219 G CA 0.498 45.702 45.100 0.173 0.000 0.789 219 G HN 0.258 nan 8.290 nan 0.000 0.531 220 T N 0.440 114.832 114.554 -0.270 0.000 3.085 220 T HA 0.057 4.407 4.350 -0.000 0.000 0.263 220 T C 1.322 175.743 174.700 -0.465 0.000 1.127 220 T CA 0.373 62.204 62.100 -0.448 0.000 1.103 220 T CB -0.235 68.229 68.868 -0.673 0.000 0.921 220 T HN 0.422 nan 8.240 nan 0.000 0.510 221 F N -1.305 118.725 119.950 0.133 0.000 2.678 221 F HA 0.370 4.897 4.527 -0.000 0.000 0.305 221 F C 1.318 177.247 175.800 0.215 0.000 1.090 221 F CA -1.297 56.786 58.000 0.138 0.000 1.272 221 F CB 0.279 39.340 39.000 0.101 0.000 1.060 221 F HN 0.160 nan 8.300 nan 0.000 0.576 222 W N 1.500 122.874 121.300 0.122 0.000 3.650 222 W HA 0.307 4.967 4.660 -0.000 0.000 0.589 222 W C 0.222 176.775 176.519 0.058 0.000 2.745 222 W CA -0.022 57.374 57.345 0.085 0.000 1.166 222 W CB -0.874 28.623 29.460 0.061 0.000 2.581 222 W HN -0.237 nan 8.180 nan 0.000 0.529 223 Q N 1.749 121.235 119.800 -0.524 0.000 2.296 223 Q HA 0.069 4.409 4.340 -0.000 0.000 0.262 223 Q C 1.106 176.944 176.000 -0.271 0.000 0.981 223 Q CA 0.414 55.829 55.803 -0.647 0.000 0.905 223 Q CB 1.580 29.605 28.738 -1.189 0.000 1.186 223 Q HN 0.311 nan 8.270 nan 0.000 0.399 224 E N 3.231 123.340 120.200 -0.152 0.000 2.082 224 E HA -0.298 4.052 4.350 -0.000 0.000 0.215 224 E C 0.849 177.394 176.600 -0.091 0.000 1.048 224 E CA 1.927 58.276 56.400 -0.085 0.000 0.869 224 E CB 0.105 29.769 29.700 -0.059 0.000 0.773 224 E HN 0.594 nan 8.360 nan 0.000 0.466 225 R N -0.258 120.184 120.500 -0.097 0.000 2.335 225 R HA 0.111 4.451 4.340 -0.000 0.000 0.223 225 R C 1.399 177.708 176.300 0.015 0.000 0.940 225 R CA 0.042 56.116 56.100 -0.043 0.000 1.086 225 R CB 0.029 30.321 30.300 -0.013 0.000 1.073 225 R HN 0.304 nan 8.270 nan 0.000 0.504 226 L N -1.452 119.735 121.223 -0.060 0.000 2.357 226 L HA 0.172 4.512 4.340 -0.000 0.000 0.211 226 L C 2.439 179.324 176.870 0.026 0.000 1.075 226 L CA 0.484 55.325 54.840 0.002 0.000 0.830 226 L CB -0.412 41.567 42.059 -0.133 0.000 0.996 226 L HN 0.066 nan 8.230 nan 0.000 0.467 227 A N 1.466 124.256 122.820 -0.050 0.000 1.915 227 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 227 A C -0.159 177.356 177.584 -0.115 0.000 1.198 227 A CA 2.292 54.281 52.037 -0.079 0.000 0.647 227 A CB -1.882 17.068 19.000 -0.083 0.000 0.825 227 A HN 0.265 nan 8.150 nan 0.000 0.456 228 P HA -0.074 nan 4.420 nan 0.000 0.220 228 P C 0.975 178.092 177.300 -0.306 0.000 1.152 228 P CA 0.924 63.856 63.100 -0.279 0.000 0.812 228 P CB -0.138 31.320 31.700 -0.404 0.000 0.792 229 W N 0.391 121.648 121.300 -0.072 0.000 2.378 229 W HA -0.083 4.577 4.660 -0.000 0.000 0.313 229 W C 2.667 179.157 176.519 -0.047 0.000 1.197 229 W CA 1.167 58.479 57.345 -0.055 0.000 1.304 229 W CB -1.225 28.208 29.460 -0.046 0.000 1.148 229 W HN -0.150 nan 8.180 nan 0.000 0.494 230 A N 0.632 123.554 122.820 0.170 0.000 1.917 230 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 230 A C 2.199 179.787 177.584 0.006 0.000 1.182 230 A CA 2.210 54.301 52.037 0.090 0.000 0.633 230 A CB -1.591 17.448 19.000 0.064 0.000 0.819 230 A HN 0.354 nan 8.150 nan 0.000 0.448 231 G N -0.647 108.112 108.800 -0.068 0.000 2.408 231 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.217 231 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.217 231 G C 1.567 176.404 174.900 -0.105 0.000 1.150 231 G CA 0.976 46.006 45.100 -0.117 0.000 0.776 231 G HN 0.416 nan 8.290 nan 0.000 0.542 232 L N -0.029 121.135 121.223 -0.098 0.000 2.005 232 L HA 0.031 4.371 4.340 -0.000 0.000 0.207 232 L C 2.874 179.707 176.870 -0.062 0.000 1.072 232 L CA 0.841 55.624 54.840 -0.096 0.000 0.744 232 L CB -0.297 41.690 42.059 -0.120 0.000 0.895 232 L HN 0.176 nan 8.230 nan 0.000 0.433 233 L N -1.057 120.170 121.223 0.006 0.000 2.141 233 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 233 L C 2.764 179.551 176.870 -0.138 0.000 1.094 233 L CA 0.943 55.779 54.840 -0.006 0.000 0.763 233 L CB -0.910 41.222 42.059 0.122 0.000 0.908 233 L HN 0.232 nan 8.230 nan 0.000 0.437 234 A N 0.501 123.271 122.820 -0.084 0.000 1.873 234 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 234 A C 2.579 180.006 177.584 -0.262 0.000 1.186 234 A CA 1.588 53.549 52.037 -0.127 0.000 0.616 234 A CB -0.712 18.268 19.000 -0.033 0.000 0.823 234 A HN 0.355 nan 8.150 nan 0.000 0.442 235 A N -0.384 122.313 122.820 -0.205 0.000 1.972 235 A HA 0.183 4.503 4.320 -0.000 0.000 0.219 235 A C 2.392 179.813 177.584 -0.271 0.000 1.169 235 A CA 2.073 53.975 52.037 -0.224 0.000 0.635 235 A CB -0.737 18.161 19.000 -0.170 0.000 0.810 235 A HN 0.985 nan 8.150 nan 0.000 0.446 236 A N -0.822 121.840 122.820 -0.263 0.000 1.935 236 A HA 0.313 4.633 4.320 -0.000 0.000 0.214 236 A C 2.347 179.718 177.584 -0.356 0.000 1.178 236 A CA 1.418 53.314 52.037 -0.236 0.000 0.640 236 A CB -1.142 17.773 19.000 -0.142 0.000 0.825 236 A HN 0.630 nan 8.150 nan 0.000 0.447 237 G N 0.141 108.546 108.800 -0.659 0.000 2.418 237 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 237 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 237 G C 1.543 175.985 174.900 -0.762 0.000 1.158 237 G CA 1.061 45.433 45.100 -1.214 0.000 0.771 237 G HN 0.400 nan 8.290 nan 0.000 0.545 238 L N -0.179 120.694 121.223 -0.583 0.000 2.083 238 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 238 L C 3.206 179.954 176.870 -0.202 0.000 1.083 238 L CA 0.989 55.661 54.840 -0.280 0.000 0.752 238 L CB -0.290 41.598 42.059 -0.284 0.000 0.899 238 L HN 0.163 nan 8.230 nan 0.000 0.433 239 R N -0.125 120.198 120.500 -0.296 0.000 2.073 239 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 239 R C 2.418 178.724 176.300 0.010 0.000 1.134 239 R CA 1.387 57.319 56.100 -0.279 0.000 0.952 239 R CB -0.541 29.592 30.300 -0.279 0.000 0.850 239 R HN 0.337 nan 8.270 nan 0.000 0.433 240 A N 1.716 124.526 122.820 -0.017 0.000 1.930 240 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 240 A C 2.100 179.735 177.584 0.085 0.000 1.175 240 A CA 0.959 53.021 52.037 0.042 0.000 0.627 240 A CB -0.405 18.613 19.000 0.030 0.000 0.815 240 A HN 0.261 nan 8.150 nan 0.000 0.443 241 L N -0.214 121.074 121.223 0.108 0.000 2.083 241 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 241 L C 1.967 178.989 176.870 0.253 0.000 1.083 241 L CA 1.720 56.683 54.840 0.204 0.000 0.752 241 L CB -1.265 40.995 42.059 0.334 0.000 0.899 241 L HN 0.339 nan 8.230 nan 0.000 0.433 242 L N -1.214 120.173 121.223 0.273 0.000 2.156 242 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 242 L C 2.463 179.597 176.870 0.440 0.000 1.095 242 L CA 0.518 55.583 54.840 0.375 0.000 0.770 242 L CB -0.408 41.885 42.059 0.390 0.000 0.914 242 L HN 0.120 nan 8.230 nan 0.000 0.439 243 V N -0.112 119.947 119.914 0.243 0.000 2.453 243 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 243 V C 2.214 178.466 176.094 0.263 0.000 1.048 243 V CA 1.446 63.823 62.300 0.129 0.000 1.049 243 V CB -0.158 31.480 31.823 -0.308 0.000 0.672 243 V HN 0.330 nan 8.190 nan 0.000 0.457 244 L N -0.019 121.308 121.223 0.173 0.000 2.095 244 L HA 0.047 4.387 4.340 -0.000 0.000 0.204 244 L C 2.549 179.483 176.870 0.107 0.000 1.080 244 L CA 1.349 56.260 54.840 0.118 0.000 0.759 244 L CB -0.668 41.451 42.059 0.100 0.000 0.914 244 L HN 0.299 nan 8.230 nan 0.000 0.439 245 A N -0.004 122.905 122.820 0.149 0.000 2.119 245 A HA 0.070 4.390 4.320 -0.000 0.000 0.216 245 A C 2.116 179.757 177.584 0.096 0.000 1.152 245 A CA 1.084 53.189 52.037 0.113 0.000 0.708 245 A CB -0.676 18.398 19.000 0.124 0.000 0.805 245 A HN 0.408 nan 8.150 nan 0.000 0.460 246 G N -1.042 107.800 108.800 0.070 0.000 3.042 246 G HA2 0.143 4.103 3.960 -0.000 0.000 0.212 246 G HA3 0.143 4.103 3.960 -0.000 0.000 0.212 246 G C 0.642 175.027 174.900 -0.858 0.000 1.166 246 G CA -0.189 44.679 45.100 -0.388 0.000 0.767 246 G HN 0.577 nan 8.290 nan 0.000 0.546 247 Q N 0.169 119.710 119.800 -0.431 0.000 3.184 247 Q HA 0.275 4.615 4.340 -0.000 0.000 0.288 247 Q C -1.276 174.690 176.000 -0.057 0.000 1.412 247 Q CA -0.511 55.070 55.803 -0.370 0.000 0.991 247 Q CB 0.193 28.641 28.738 -0.483 0.000 1.688 247 Q HN 0.453 nan 8.270 nan 0.000 0.554 248 W N 0.807 121.911 121.300 -0.326 0.000 3.129 248 W HA 0.217 4.877 4.660 -0.000 0.000 0.333 248 W C -0.171 176.203 176.519 -0.241 0.000 1.141 248 W CA -0.438 56.753 57.345 -0.257 0.000 1.224 248 W CB 1.396 30.646 29.460 -0.351 0.000 1.393 248 W HN 0.155 nan 8.180 nan 0.000 0.499 249 Q N 3.594 123.020 119.800 -0.624 0.000 2.324 249 Q HA 0.180 4.520 4.340 -0.000 0.000 0.207 249 Q C 1.187 176.598 176.000 -0.983 0.000 0.928 249 Q CA 0.778 56.217 55.803 -0.606 0.000 0.890 249 Q CB -0.144 28.370 28.738 -0.374 0.000 1.001 249 Q HN 0.833 nan 8.270 nan 0.000 0.517 250 G N 2.840 110.769 108.800 -1.451 0.000 2.941 250 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.316 250 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.316 250 G C 0.026 174.459 174.900 -0.777 0.000 0.221 250 G CA 0.450 44.729 45.100 -1.368 0.000 1.224 250 G HN 0.117 nan 8.290 nan 0.000 0.282 251 L N 2.243 123.273 121.223 -0.322 0.000 2.805 251 L HA 0.977 5.317 4.340 -0.000 0.000 0.242 251 L C 1.148 178.011 176.870 -0.012 0.000 1.180 251 L CA -0.458 54.286 54.840 -0.160 0.000 1.001 251 L CB 1.078 43.072 42.059 -0.108 0.000 1.864 251 L HN 0.950 nan 8.230 nan 0.000 0.551 252 G N 0.000 108.804 108.800 0.007 0.000 5.446 252 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 252 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 252 G CA 0.000 nan 45.100 nan 0.000 0.502 252 G HN 0.000 nan 8.290 nan 0.000 0.925