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 1kt8_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSSFKAADL QLEMTQKPHK KPGPGEPLVF GKTFTDHMLM VEWNDKGWGQ DATA SEQUENCE PRIQPFQNLT LHPASSSLHY SLQLFEGMKA FKGKDQQVRL FRPWLNMDRM DATA SEQUENCE LRSAMRLCLP SFDKLELLEC IRRLIEVDKD WVPDAAGTSL YVRPVLIGNE DATA SEQUENCE PSLGVSQPRR ALLFVILCPV GAYXXXXXVT PVSLLADPAF IRAWVGGVGN DATA SEQUENCE YKLGGNYGPT VLVQQEALKR GCEQVLWLYG PDHQLTEVGT MNIFVYWTHE DATA SEQUENCE DGVLELVTPP LNGVILPGVV RQSLLDMAQT WGEFRVVERT ITMKQLLRAL DATA SEQUENCE EEGRVREVFG SGTACQVCPV HRILYKDRNL HIPTMENGPE LILRFQKELK DATA SEQUENCE EIQYGIRAHE WMFPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.617 177.584 0.054 0.000 1.274 1 A CA 0.000 52.053 52.037 0.027 0.000 0.836 1 A CB 0.000 19.006 19.000 0.010 0.000 0.831 2 S N 0.806 116.547 115.700 0.068 0.000 2.414 2 S HA -0.194 4.280 4.470 0.008 0.000 0.225 2 S C 1.850 176.553 174.600 0.171 0.000 1.041 2 S CA 2.755 61.017 58.200 0.104 0.000 1.114 2 S CB -0.504 62.748 63.200 0.087 0.000 1.064 2 S HN 2.100 nan 8.310 nan 0.000 0.420 3 S N 0.247 116.050 115.700 0.171 0.000 2.988 3 S HA 0.260 4.734 4.470 0.008 0.000 0.237 3 S C 0.246 175.043 174.600 0.328 0.000 0.989 3 S CA 0.285 58.646 58.200 0.268 0.000 1.054 3 S CB -0.592 62.714 63.200 0.177 0.000 0.818 3 S HN 0.406 nan 8.310 nan 0.000 0.526 4 S N 0.358 116.193 115.700 0.224 0.000 2.543 4 S HA 0.572 5.046 4.470 0.008 0.000 0.274 4 S C -0.533 173.968 174.600 -0.165 0.000 1.149 4 S CA -1.218 56.893 58.200 -0.148 0.000 0.866 4 S CB 0.321 63.291 63.200 -0.383 0.000 1.111 4 S HN 0.410 nan 8.310 nan 0.000 0.457 5 F N 1.802 121.604 119.950 -0.247 0.000 2.444 5 F HA 0.791 5.322 4.527 0.007 0.000 0.331 5 F C 0.109 175.855 175.800 -0.090 0.000 1.167 5 F CA -0.475 57.463 58.000 -0.104 0.000 1.262 5 F CB 0.209 39.087 39.000 -0.204 0.000 1.196 5 F HN 0.400 nan 8.300 nan 0.000 0.583 6 K N 0.894 121.396 120.400 0.171 0.000 2.270 6 K HA 0.631 4.955 4.320 0.008 0.000 0.255 6 K C 0.494 177.173 176.600 0.132 0.000 0.936 6 K CA -0.332 56.010 56.287 0.091 0.000 0.809 6 K CB 1.921 34.458 32.500 0.060 0.000 1.131 6 K HN 0.700 nan 8.250 nan 0.000 0.427 7 A N 2.102 124.982 122.820 0.100 0.000 1.933 7 A HA -0.166 4.158 4.320 0.008 0.000 0.218 7 A C 1.971 179.594 177.584 0.066 0.000 1.175 7 A CA 2.189 54.279 52.037 0.089 0.000 0.628 7 A CB -0.777 18.267 19.000 0.074 0.000 0.814 7 A HN 0.779 nan 8.150 nan 0.000 0.444 8 A N -0.390 122.465 122.820 0.058 0.000 2.070 8 A HA -0.140 4.185 4.320 0.008 0.000 0.220 8 A C 1.437 179.051 177.584 0.050 0.000 1.159 8 A CA 1.758 53.824 52.037 0.048 0.000 0.656 8 A CB -0.385 18.640 19.000 0.042 0.000 0.800 8 A HN 0.429 nan 8.150 nan 0.000 0.453 9 D N -0.622 119.816 120.400 0.063 0.000 2.340 9 D HA 0.111 4.756 4.640 0.008 0.000 0.220 9 D C 0.099 176.431 176.300 0.054 0.000 1.039 9 D CA -0.179 53.859 54.000 0.063 0.000 0.866 9 D CB -0.138 40.712 40.800 0.084 0.000 0.913 9 D HN 0.148 nan 8.370 nan 0.000 0.523 10 L N 1.773 123.025 121.223 0.048 0.000 2.678 10 L HA -0.105 4.240 4.340 0.008 0.000 0.285 10 L C 0.493 177.377 176.870 0.024 0.000 1.233 10 L CA 0.916 55.775 54.840 0.031 0.000 0.920 10 L CB -0.316 41.760 42.059 0.027 0.000 1.176 10 L HN 0.034 nan 8.230 nan 0.000 0.495 11 Q N 4.009 123.820 119.800 0.018 0.000 2.266 11 Q HA 0.740 5.084 4.340 0.008 0.000 0.261 11 Q C -0.982 175.027 176.000 0.015 0.000 0.985 11 Q CA -0.844 54.969 55.803 0.017 0.000 0.873 11 Q CB 2.376 31.125 28.738 0.017 0.000 1.306 11 Q HN 0.471 nan 8.270 nan 0.000 0.447 12 L N -1.245 119.989 121.223 0.019 0.000 2.464 12 L HA 0.600 4.944 4.340 0.008 0.000 0.266 12 L C -1.210 175.683 176.870 0.037 0.000 0.965 12 L CA -0.546 54.309 54.840 0.025 0.000 0.833 12 L CB 2.108 44.175 42.059 0.014 0.000 1.296 12 L HN 0.693 nan 8.230 nan 0.000 0.405 13 E N 4.665 124.900 120.200 0.060 0.000 2.186 13 E HA 0.423 4.777 4.350 0.008 0.000 0.255 13 E C -0.969 175.709 176.600 0.130 0.000 0.881 13 E CA -0.797 55.643 56.400 0.067 0.000 0.752 13 E CB 0.973 30.697 29.700 0.039 0.000 1.176 13 E HN 0.724 nan 8.360 nan 0.000 0.421 14 M N 2.112 121.792 119.600 0.133 0.000 2.248 14 M HA 0.069 4.553 4.480 0.008 0.000 0.337 14 M C 0.719 177.115 176.300 0.159 0.000 1.121 14 M CA 0.242 55.684 55.300 0.237 0.000 1.155 14 M CB 0.523 33.211 32.600 0.147 0.000 1.514 14 M HN 0.469 nan 8.290 nan 0.000 0.452 15 T N 1.410 116.059 114.554 0.157 0.000 2.919 15 T HA 0.119 4.473 4.350 0.008 0.000 0.302 15 T C 0.658 175.357 174.700 -0.001 0.000 1.031 15 T CA 0.126 62.185 62.100 -0.068 0.000 1.127 15 T CB 0.367 69.059 68.868 -0.293 0.000 0.952 15 T HN 0.637 nan 8.240 nan 0.000 0.540 16 Q N 2.480 122.269 119.800 -0.019 0.000 2.188 16 Q HA 0.297 4.642 4.340 0.008 0.000 0.212 16 Q C -0.091 175.908 176.000 -0.002 0.000 0.846 16 Q CA 0.085 55.888 55.803 0.001 0.000 0.989 16 Q CB 0.491 29.230 28.738 0.003 0.000 1.114 16 Q HN 0.519 nan 8.270 nan 0.000 0.488 17 K N 0.571 120.960 120.400 -0.018 0.000 3.446 17 K HA 0.205 4.529 4.320 0.008 0.000 0.168 17 K C -2.759 173.830 176.600 -0.019 0.000 1.108 17 K CA -1.008 55.278 56.287 -0.002 0.000 0.738 17 K CB 1.213 33.720 32.500 0.012 0.000 0.912 17 K HN 0.022 nan 8.250 nan 0.000 0.541 18 P HA -0.114 nan 4.420 nan 0.000 0.269 18 P C -0.519 176.842 177.300 0.102 0.000 1.200 18 P CA 0.580 63.685 63.100 0.008 0.000 0.779 18 P CB 0.439 32.182 31.700 0.071 0.000 0.841 19 H N -0.719 118.477 119.070 0.210 0.000 2.508 19 H HA 0.296 4.857 4.556 0.008 0.000 0.344 19 H C 0.346 175.784 175.328 0.182 0.000 1.192 19 H CA -1.196 54.975 56.048 0.205 0.000 1.290 19 H CB 0.965 30.897 29.762 0.284 0.000 1.571 19 H HN 0.319 nan 8.280 nan 0.000 0.555 20 K N 1.671 122.216 120.400 0.242 0.000 2.297 20 K HA 0.266 4.591 4.320 0.008 0.000 0.286 20 K C -0.631 175.993 176.600 0.040 0.000 1.053 20 K CA -0.832 55.506 56.287 0.084 0.000 0.940 20 K CB 0.940 33.465 32.500 0.043 0.000 1.019 20 K HN 0.202 nan 8.250 nan 0.000 0.475 21 K N 3.089 123.358 120.400 -0.218 0.000 2.380 21 K HA 0.092 4.417 4.320 0.008 0.000 0.267 21 K C -2.338 174.168 176.600 -0.158 0.000 0.990 21 K CA -1.473 54.525 56.287 -0.482 0.000 0.946 21 K CB -0.003 32.092 32.500 -0.674 0.000 0.937 21 K HN 0.469 nan 8.250 nan 0.000 0.491 22 P HA -0.035 nan 4.420 nan 0.000 0.255 22 P C 0.041 177.312 177.300 -0.048 0.000 1.173 22 P CA 0.219 63.309 63.100 -0.017 0.000 0.780 22 P CB 0.347 32.056 31.700 0.016 0.000 0.758 23 G N 5.299 114.077 108.800 -0.036 0.000 2.597 23 G HA2 -0.010 3.954 3.960 0.008 0.000 0.283 23 G HA3 -0.010 3.954 3.960 0.008 0.000 0.283 23 G C -1.276 173.605 174.900 -0.032 0.000 1.319 23 G CA -0.685 44.393 45.100 -0.037 0.000 1.054 23 G HN 0.294 nan 8.290 nan 0.000 0.583 24 P HA -0.080 nan 4.420 nan 0.000 0.211 24 P C 2.175 179.464 177.300 -0.018 0.000 1.179 24 P CA 1.794 64.880 63.100 -0.023 0.000 0.910 24 P CB -0.372 31.316 31.700 -0.021 0.000 0.785 25 G N -0.107 108.683 108.800 -0.017 0.000 2.745 25 G HA2 -0.350 3.614 3.960 0.008 0.000 0.225 25 G HA3 -0.350 3.614 3.960 0.008 0.000 0.225 25 G C 0.699 175.591 174.900 -0.014 0.000 1.108 25 G CA 1.403 46.495 45.100 -0.014 0.000 0.749 25 G HN 0.311 nan 8.290 nan 0.000 0.625 26 E N -0.987 119.204 120.200 -0.014 0.000 2.416 26 E HA -0.131 4.224 4.350 0.008 0.000 0.249 26 E C -2.207 174.387 176.600 -0.011 0.000 1.124 26 E CA 0.841 57.234 56.400 -0.011 0.000 0.732 26 E CB -1.656 28.039 29.700 -0.008 0.000 1.286 26 E HN 0.497 nan 8.360 nan 0.000 0.394 27 P HA 0.252 nan 4.420 nan 0.000 0.245 27 P C -0.011 177.276 177.300 -0.021 0.000 1.740 27 P CA -0.270 62.819 63.100 -0.017 0.000 1.125 27 P CB 0.264 31.952 31.700 -0.019 0.000 1.747 28 L N 3.284 124.498 121.223 -0.015 0.000 2.375 28 L HA 0.192 4.536 4.340 0.008 0.000 0.276 28 L C 0.073 176.931 176.870 -0.020 0.000 1.162 28 L CA -0.606 54.222 54.840 -0.020 0.000 0.991 28 L CB 0.321 42.379 42.059 -0.002 0.000 1.315 28 L HN 0.061 nan 8.230 nan 0.000 0.431 29 V N 3.084 122.976 119.914 -0.037 0.000 2.530 29 V HA 0.061 4.186 4.120 0.008 0.000 0.282 29 V C 0.308 176.388 176.094 -0.023 0.000 1.048 29 V CA -0.502 61.786 62.300 -0.020 0.000 0.997 29 V CB 1.004 32.807 31.823 -0.032 0.000 0.987 29 V HN 0.363 nan 8.190 nan 0.000 0.477 30 F N 4.285 124.159 119.950 -0.127 0.000 2.608 30 F HA 0.404 4.936 4.527 0.008 0.000 0.380 30 F C 1.408 177.096 175.800 -0.188 0.000 1.083 30 F CA 1.267 59.166 58.000 -0.167 0.000 1.266 30 F CB 0.392 39.293 39.000 -0.166 0.000 1.076 30 F HN 0.861 nan 8.300 nan 0.000 0.574 31 G N 4.707 112.992 108.800 -0.858 0.000 2.296 31 G HA2 -0.349 3.616 3.960 0.008 0.000 0.282 31 G HA3 -0.349 3.616 3.960 0.008 0.000 0.282 31 G C 1.067 175.722 174.900 -0.409 0.000 1.014 31 G CA 0.618 45.335 45.100 -0.639 0.000 0.812 31 G HN 0.650 nan 8.290 nan 0.000 0.508 32 K N -0.911 119.216 120.400 -0.457 0.000 2.370 32 K HA 0.110 4.435 4.320 0.008 0.000 0.194 32 K C 0.635 176.911 176.600 -0.541 0.000 1.070 32 K CA 0.753 56.846 56.287 -0.324 0.000 0.998 32 K CB 0.622 33.025 32.500 -0.162 0.000 0.911 32 K HN 0.357 nan 8.250 nan 0.000 0.533 33 T N 1.436 115.518 114.554 -0.786 0.000 2.792 33 T HA 0.507 4.862 4.350 0.008 0.000 0.280 33 T C -0.627 173.409 174.700 -1.106 0.000 0.990 33 T CA -0.427 61.249 62.100 -0.706 0.000 0.960 33 T CB 0.669 69.343 68.868 -0.324 0.000 0.939 33 T HN -0.187 nan 8.240 nan 0.000 0.439 34 F N 1.516 121.177 119.950 -0.483 0.000 2.507 34 F HA 0.564 5.095 4.527 0.007 0.000 0.327 34 F C 1.349 176.595 175.800 -0.923 0.000 1.068 34 F CA -1.053 56.529 58.000 -0.696 0.000 0.965 34 F CB 1.450 39.772 39.000 -1.131 0.000 1.192 34 F HN 0.529 nan 8.300 nan 0.000 0.476 35 T N -2.812 111.226 114.554 -0.861 0.000 2.770 35 T HA 0.147 4.502 4.350 0.008 0.000 0.281 35 T C 0.706 174.954 174.700 -0.753 0.000 0.981 35 T CA -0.651 60.478 62.100 -1.618 0.000 0.955 35 T CB 0.752 68.818 68.868 -1.336 0.000 1.060 35 T HN 0.512 nan 8.240 nan 0.000 0.531 36 D N 0.284 120.346 120.400 -0.564 0.000 2.178 36 D HA -0.010 4.635 4.640 0.008 0.000 0.201 36 D C 0.431 176.531 176.300 -0.335 0.000 0.980 36 D CA 1.560 55.367 54.000 -0.321 0.000 0.842 36 D CB -0.129 40.676 40.800 0.008 0.000 0.948 36 D HN 0.652 nan 8.370 nan 0.000 0.472 37 H N -1.498 117.553 119.070 -0.032 0.000 2.797 37 H HA 0.601 5.162 4.556 0.008 0.000 0.362 37 H C 0.264 175.646 175.328 0.090 0.000 1.183 37 H CA -0.872 55.199 56.048 0.040 0.000 1.197 37 H CB 1.562 31.334 29.762 0.016 0.000 1.835 37 H HN -0.159 nan 8.280 nan 0.000 0.567 38 M N 0.343 120.042 119.600 0.164 0.000 2.622 38 M HA 0.544 5.029 4.480 0.008 0.000 0.276 38 M C -1.884 174.442 176.300 0.043 0.000 1.265 38 M CA -1.239 54.116 55.300 0.091 0.000 0.850 38 M CB 2.535 35.126 32.600 -0.015 0.000 1.720 38 M HN 0.415 nan 8.290 nan 0.000 0.465 39 L N 2.113 123.349 121.223 0.023 0.000 2.331 39 L HA 0.878 5.222 4.340 0.008 0.000 0.275 39 L C -1.375 175.483 176.870 -0.019 0.000 1.022 39 L CA -0.271 54.555 54.840 -0.025 0.000 0.812 39 L CB 2.043 44.063 42.059 -0.065 0.000 1.257 39 L HN 0.956 nan 8.230 nan 0.000 0.435 40 M N 4.750 124.312 119.600 -0.064 0.000 2.284 40 M HA 0.692 5.176 4.480 0.008 0.000 0.281 40 M C -2.089 174.150 176.300 -0.102 0.000 1.083 40 M CA -0.223 55.051 55.300 -0.043 0.000 0.965 40 M CB 1.947 34.518 32.600 -0.048 0.000 1.717 40 M HN 0.257 nan 8.290 nan 0.000 0.479 41 V N 3.460 123.317 119.914 -0.096 0.000 2.686 41 V HA 0.571 4.696 4.120 0.008 0.000 0.306 41 V C -0.821 175.389 176.094 0.193 0.000 1.065 41 V CA -0.778 61.466 62.300 -0.094 0.000 0.894 41 V CB 2.008 33.481 31.823 -0.583 0.000 1.004 41 V HN 0.841 nan 8.190 nan 0.000 0.424 42 E N 2.308 122.659 120.200 0.253 0.000 2.202 42 E HA 0.505 4.860 4.350 0.008 0.000 0.272 42 E C -1.573 175.232 176.600 0.341 0.000 0.951 42 E CA -0.608 55.950 56.400 0.264 0.000 0.813 42 E CB 2.900 32.678 29.700 0.130 0.000 1.151 42 E HN 0.678 nan 8.360 nan 0.000 0.398 43 W N 3.119 124.355 121.300 -0.107 0.000 2.936 43 W HA 0.314 4.978 4.660 0.006 0.000 0.338 43 W C -0.881 175.494 176.519 -0.239 0.000 1.121 43 W CA -0.158 56.957 57.345 -0.382 0.000 1.209 43 W CB 1.129 29.948 29.460 -1.069 0.000 1.420 43 W HN 0.728 nan 8.180 nan 0.000 0.516 44 N N 0.840 118.940 118.700 -0.999 0.000 3.575 44 N HA 0.151 4.896 4.740 0.008 0.000 0.343 44 N C 0.457 175.250 175.510 -1.194 0.000 1.574 44 N CA 0.174 52.645 53.050 -0.966 0.000 0.832 44 N CB 0.120 38.366 38.487 -0.403 0.000 2.151 44 N HN 0.420 nan 8.380 nan 0.000 0.552 45 D N 0.140 120.143 120.400 -0.661 0.000 2.116 45 D HA -0.201 4.444 4.640 0.008 0.000 0.193 45 D C 0.667 176.733 176.300 -0.391 0.000 0.998 45 D CA 1.340 55.062 54.000 -0.463 0.000 0.836 45 D CB -0.202 40.439 40.800 -0.264 0.000 0.951 45 D HN 0.378 nan 8.370 nan 0.000 0.449 46 K N 1.080 121.289 120.400 -0.318 0.000 2.574 46 K HA 0.126 4.450 4.320 0.008 0.000 0.193 46 K C 1.463 177.937 176.600 -0.211 0.000 1.035 46 K CA 0.763 56.929 56.287 -0.201 0.000 0.982 46 K CB -0.226 32.199 32.500 -0.125 0.000 0.795 46 K HN 0.492 nan 8.250 nan 0.000 0.491 47 G N 0.602 109.129 108.800 -0.455 0.000 2.508 47 G HA2 -0.245 3.719 3.960 0.008 0.000 0.220 47 G HA3 -0.245 3.719 3.960 0.008 0.000 0.220 47 G C -1.184 173.605 174.900 -0.185 0.000 1.287 47 G CA -0.492 44.367 45.100 -0.401 0.000 0.916 47 G HN 0.235 nan 8.290 nan 0.000 0.574 48 W N 1.638 123.114 121.300 0.293 0.000 2.253 48 W HA 0.491 5.156 4.660 0.009 0.000 0.322 48 W C 1.227 177.870 176.519 0.207 0.000 1.342 48 W CA 0.502 58.074 57.345 0.377 0.000 1.218 48 W CB 0.791 30.558 29.460 0.513 0.000 1.205 48 W HN 0.896 nan 8.180 nan 0.000 0.551 49 G N 1.854 110.921 108.800 0.445 0.000 2.535 49 G HA2 0.255 4.219 3.960 0.008 0.000 0.282 49 G HA3 0.255 4.219 3.960 0.008 0.000 0.282 49 G C -0.719 174.333 174.900 0.253 0.000 1.350 49 G CA -0.788 44.464 45.100 0.253 0.000 1.039 49 G HN 0.497 nan 8.290 nan 0.000 0.509 50 Q N 0.361 120.250 119.800 0.148 0.000 2.293 50 Q HA 0.247 4.592 4.340 0.008 0.000 0.251 50 Q C -2.208 173.816 176.000 0.040 0.000 0.930 50 Q CA -1.403 54.468 55.803 0.113 0.000 0.893 50 Q CB 1.292 30.078 28.738 0.079 0.000 1.215 50 Q HN 0.236 nan 8.270 nan 0.000 0.425 51 P HA 0.097 nan 4.420 nan 0.000 0.269 51 P C -0.981 176.288 177.300 -0.053 0.000 1.215 51 P CA 0.073 63.102 63.100 -0.119 0.000 0.780 51 P CB 0.683 32.320 31.700 -0.105 0.000 0.898 52 R N 1.832 122.290 120.500 -0.069 0.000 2.564 52 R HA 0.509 4.854 4.340 0.008 0.000 0.284 52 R C -0.847 175.437 176.300 -0.025 0.000 1.031 52 R CA -0.702 55.380 56.100 -0.031 0.000 0.904 52 R CB 1.694 31.979 30.300 -0.024 0.000 1.199 52 R HN 0.457 nan 8.270 nan 0.000 0.443 53 I N 4.408 124.979 120.570 0.002 0.000 2.312 53 I HA 0.185 4.360 4.170 0.008 0.000 0.290 53 I C 0.096 176.255 176.117 0.070 0.000 1.008 53 I CA -0.222 61.097 61.300 0.031 0.000 1.226 53 I CB 1.400 39.413 38.000 0.022 0.000 1.371 53 I HN 0.524 nan 8.210 nan 0.000 0.468 54 Q N 7.137 126.979 119.800 0.069 0.000 2.528 54 Q HA 0.653 4.998 4.340 0.008 0.000 0.289 54 Q C -2.909 173.096 176.000 0.009 0.000 1.091 54 Q CA -2.374 53.456 55.803 0.045 0.000 0.797 54 Q CB 2.059 30.784 28.738 -0.023 0.000 1.466 54 Q HN 0.171 nan 8.270 nan 0.000 0.436 55 P HA -0.022 nan 4.420 nan 0.000 0.268 55 P C -1.015 176.216 177.300 -0.114 0.000 1.208 55 P CA -0.033 62.938 63.100 -0.215 0.000 0.777 55 P CB 0.186 31.786 31.700 -0.166 0.000 0.875 56 F N 3.376 123.183 119.950 -0.238 0.000 2.578 56 F HA 0.099 4.630 4.527 0.007 0.000 0.381 56 F C 0.722 176.450 175.800 -0.120 0.000 1.069 56 F CA 1.045 58.960 58.000 -0.142 0.000 1.231 56 F CB 0.098 39.063 39.000 -0.058 0.000 1.086 56 F HN 0.286 nan 8.300 nan 0.000 0.564 57 Q N 3.974 123.469 119.800 -0.508 0.000 2.575 57 Q HA 0.374 4.718 4.340 0.008 0.000 0.290 57 Q C -1.453 174.274 176.000 -0.456 0.000 0.963 57 Q CA -1.373 54.235 55.803 -0.325 0.000 0.783 57 Q CB 0.915 29.535 28.738 -0.198 0.000 1.467 57 Q HN 0.476 nan 8.270 nan 0.000 0.402 58 N N 0.626 119.149 118.700 -0.295 0.000 2.381 58 N HA 0.232 4.977 4.740 0.008 0.000 0.241 58 N C -0.448 174.878 175.510 -0.306 0.000 1.279 58 N CA 0.256 53.131 53.050 -0.292 0.000 0.896 58 N CB 0.377 38.757 38.487 -0.177 0.000 1.118 58 N HN 0.442 nan 8.380 nan 0.000 0.438 59 L N 0.536 121.570 121.223 -0.315 0.000 2.360 59 L HA 0.347 4.691 4.340 0.008 0.000 0.271 59 L C 0.472 177.236 176.870 -0.178 0.000 1.057 59 L CA -0.384 54.282 54.840 -0.290 0.000 0.803 59 L CB 1.210 43.057 42.059 -0.353 0.000 1.207 59 L HN 0.316 nan 8.230 nan 0.000 0.445 60 T N 3.922 118.395 114.554 -0.135 0.000 2.809 60 T HA 0.587 4.942 4.350 0.008 0.000 0.296 60 T C -0.366 174.303 174.700 -0.051 0.000 1.015 60 T CA -0.344 61.705 62.100 -0.085 0.000 0.954 60 T CB 0.521 69.347 68.868 -0.070 0.000 0.950 60 T HN 0.257 nan 8.240 nan 0.000 0.450 61 L N 2.852 124.055 121.223 -0.034 0.000 2.362 61 L HA 0.475 4.819 4.340 0.008 0.000 0.271 61 L C 0.341 177.239 176.870 0.046 0.000 1.002 61 L CA -1.286 53.563 54.840 0.015 0.000 0.818 61 L CB 1.673 43.740 42.059 0.014 0.000 1.298 61 L HN 0.590 nan 8.230 nan 0.000 0.420 62 H N 4.126 123.192 119.070 -0.007 0.000 2.928 62 H HA 0.064 4.624 4.556 0.007 0.000 0.338 62 H C -1.955 173.383 175.328 0.016 0.000 1.047 62 H CA -1.038 55.009 56.048 -0.003 0.000 1.435 62 H CB 1.718 31.477 29.762 -0.005 0.000 1.428 62 H HN 0.343 nan 8.280 nan 0.000 0.590 63 P HA -0.105 nan 4.420 nan 0.000 0.220 63 P C 0.508 177.980 177.300 0.285 0.000 1.144 63 P CA 1.850 64.972 63.100 0.036 0.000 0.800 63 P CB 0.195 31.834 31.700 -0.102 0.000 0.772 64 A N -1.376 121.718 122.820 0.456 0.000 2.345 64 A HA 0.147 4.471 4.320 0.008 0.000 0.225 64 A C 1.005 178.583 177.584 -0.010 0.000 1.243 64 A CA -0.052 52.017 52.037 0.053 0.000 0.875 64 A CB -0.797 18.194 19.000 -0.014 0.000 0.929 64 A HN 0.120 nan 8.150 nan 0.000 0.502 65 S N 1.200 117.007 115.700 0.178 0.000 2.784 65 S HA 0.020 4.494 4.470 0.008 0.000 0.322 65 S C 1.616 176.288 174.600 0.119 0.000 1.234 65 S CA 0.446 58.714 58.200 0.113 0.000 1.064 65 S CB 0.112 63.388 63.200 0.127 0.000 0.787 65 S HN 0.810 nan 8.310 nan 0.000 0.506 66 S N 3.868 119.609 115.700 0.069 0.000 2.462 66 S HA -0.172 4.303 4.470 0.008 0.000 0.243 66 S C 2.021 176.683 174.600 0.103 0.000 1.003 66 S CA 1.204 59.462 58.200 0.097 0.000 0.970 66 S CB -0.856 62.448 63.200 0.173 0.000 0.762 66 S HN 1.020 nan 8.310 nan 0.000 0.510 67 S N 2.024 117.783 115.700 0.098 0.000 2.419 67 S HA 0.078 4.552 4.470 0.008 0.000 0.233 67 S C 1.639 176.272 174.600 0.054 0.000 1.016 67 S CA 0.912 59.165 58.200 0.088 0.000 0.974 67 S CB -0.648 62.608 63.200 0.093 0.000 0.786 67 S HN 0.583 nan 8.310 nan 0.000 0.492 68 L N -0.449 120.796 121.223 0.037 0.000 2.556 68 L HA 0.282 4.627 4.340 0.008 0.000 0.226 68 L C 2.487 179.208 176.870 -0.249 0.000 1.089 68 L CA 0.388 55.185 54.840 -0.072 0.000 0.864 68 L CB -0.260 41.746 42.059 -0.088 0.000 1.067 68 L HN 0.379 nan 8.230 nan 0.000 0.477 69 H N -1.415 117.488 119.070 -0.279 0.000 2.460 69 H HA 0.116 4.676 4.556 0.007 0.000 0.297 69 H C 0.493 175.468 175.328 -0.587 0.000 1.023 69 H CA 0.896 56.598 56.048 -0.576 0.000 1.321 69 H CB 0.800 29.941 29.762 -1.035 0.000 1.455 69 H HN 0.210 nan 8.280 nan 0.000 0.539 70 Y N 0.193 120.591 120.300 0.162 0.000 2.716 70 Y HA 0.258 4.812 4.550 0.007 0.000 0.260 70 Y C 0.869 176.817 175.900 0.080 0.000 1.141 70 Y CA -0.815 57.347 58.100 0.104 0.000 1.168 70 Y CB 0.491 39.005 38.460 0.090 0.000 1.189 70 Y HN -0.085 nan 8.280 nan 0.000 0.549 71 S N 1.072 116.866 115.700 0.157 0.000 3.559 71 S HA -0.204 4.270 4.470 0.008 0.000 0.369 71 S C 0.026 174.703 174.600 0.128 0.000 0.987 71 S CA 0.131 58.407 58.200 0.126 0.000 1.187 71 S CB -1.283 61.993 63.200 0.126 0.000 0.914 71 S HN 0.491 nan 8.310 nan 0.000 0.480 72 L N 2.502 123.803 121.223 0.130 0.000 2.399 72 L HA 0.293 4.638 4.340 0.008 0.000 0.257 72 L C 0.562 177.488 176.870 0.093 0.000 1.236 72 L CA 0.080 54.983 54.840 0.105 0.000 1.144 72 L CB -0.231 41.895 42.059 0.111 0.000 1.379 72 L HN 0.573 nan 8.230 nan 0.000 0.414 73 Q N 3.173 123.032 119.800 0.097 0.000 2.353 73 Q HA 0.737 5.082 4.340 0.008 0.000 0.275 73 Q C -1.540 174.544 176.000 0.140 0.000 1.029 73 Q CA -1.097 54.771 55.803 0.109 0.000 0.848 73 Q CB 2.526 31.333 28.738 0.115 0.000 1.390 73 Q HN 0.269 nan 8.270 nan 0.000 0.401 74 L N -1.131 120.180 121.223 0.146 0.000 2.479 74 L HA 0.938 5.282 4.340 0.008 0.000 0.255 74 L C -1.185 175.827 176.870 0.236 0.000 1.026 74 L CA -0.856 54.091 54.840 0.179 0.000 0.842 74 L CB 1.652 43.753 42.059 0.071 0.000 1.444 74 L HN 0.800 nan 8.230 nan 0.000 0.409 75 F N -2.443 117.487 119.950 -0.033 0.000 2.745 75 F HA 0.955 5.486 4.527 0.007 0.000 0.316 75 F C -0.897 174.868 175.800 -0.058 0.000 1.155 75 F CA -0.586 57.362 58.000 -0.086 0.000 0.937 75 F CB 1.304 40.245 39.000 -0.098 0.000 1.361 75 F HN 0.594 nan 8.300 nan 0.000 0.472 76 E N -0.344 119.886 120.200 0.051 0.000 2.445 76 E HA 0.718 5.073 4.350 0.008 0.000 0.273 76 E C -1.338 175.286 176.600 0.040 0.000 0.961 76 E CA -0.969 55.384 56.400 -0.080 0.000 0.807 76 E CB 2.137 31.776 29.700 -0.102 0.000 1.362 76 E HN 1.090 nan 8.360 nan 0.000 0.453 77 G N 1.049 109.821 108.800 -0.046 0.000 2.608 77 G HA2 0.573 4.537 3.960 0.008 0.000 0.285 77 G HA3 0.573 4.537 3.960 0.008 0.000 0.285 77 G C -0.595 174.222 174.900 -0.139 0.000 1.407 77 G CA -0.493 44.531 45.100 -0.128 0.000 1.276 77 G HN 0.311 nan 8.290 nan 0.000 0.587 78 M N 0.328 119.727 119.600 -0.336 0.000 2.755 78 M HA 0.770 5.255 4.480 0.008 0.000 0.273 78 M C -1.688 174.506 176.300 -0.177 0.000 1.278 78 M CA -1.136 54.080 55.300 -0.140 0.000 0.819 78 M CB 2.315 34.842 32.600 -0.121 0.000 1.694 78 M HN 0.204 nan 8.290 nan 0.000 0.460 79 K N 0.471 120.835 120.400 -0.060 0.000 2.375 79 K HA 0.854 5.178 4.320 0.008 0.000 0.249 79 K C -1.548 174.899 176.600 -0.254 0.000 0.942 79 K CA -0.777 55.379 56.287 -0.217 0.000 0.806 79 K CB 2.717 34.977 32.500 -0.400 0.000 1.227 79 K HN 0.817 nan 8.250 nan 0.000 0.430 80 A N 2.721 125.333 122.820 -0.347 0.000 2.318 80 A HA 0.759 5.083 4.320 0.008 0.000 0.324 80 A C -1.316 176.059 177.584 -0.348 0.000 1.170 80 A CA -0.530 51.411 52.037 -0.161 0.000 0.810 80 A CB 0.215 19.187 19.000 -0.047 0.000 1.198 80 A HN 0.540 nan 8.150 nan 0.000 0.484 81 F N 0.979 120.907 119.950 -0.037 0.000 2.520 81 F HA 0.517 5.048 4.527 0.007 0.000 0.322 81 F C 0.416 176.207 175.800 -0.015 0.000 1.103 81 F CA -0.548 57.381 58.000 -0.118 0.000 0.926 81 F CB 2.352 41.071 39.000 -0.468 0.000 1.154 81 F HN 0.523 nan 8.300 nan 0.000 0.453 82 K N 1.962 122.522 120.400 0.267 0.000 2.293 82 K HA 0.607 4.932 4.320 0.008 0.000 0.267 82 K C 0.150 176.943 176.600 0.322 0.000 1.010 82 K CA -0.342 56.084 56.287 0.232 0.000 0.875 82 K CB 0.930 33.537 32.500 0.179 0.000 1.106 82 K HN 0.888 nan 8.250 nan 0.000 0.450 83 G N 2.559 111.515 108.800 0.260 0.000 2.557 83 G HA2 0.073 4.037 3.960 0.008 0.000 0.292 83 G HA3 0.073 4.037 3.960 0.008 0.000 0.292 83 G C 0.293 175.293 174.900 0.167 0.000 1.237 83 G CA -0.489 44.773 45.100 0.270 0.000 0.978 83 G HN 0.742 nan 8.290 nan 0.000 0.498 84 K N -0.102 120.374 120.400 0.127 0.000 2.071 84 K HA -0.245 4.080 4.320 0.008 0.000 0.217 84 K C 2.140 178.779 176.600 0.065 0.000 1.054 84 K CA 2.209 58.541 56.287 0.075 0.000 0.937 84 K CB -0.188 32.345 32.500 0.055 0.000 0.719 84 K HN 0.661 nan 8.250 nan 0.000 0.454 85 D N 0.039 120.480 120.400 0.068 0.000 2.182 85 D HA -0.220 4.425 4.640 0.008 0.000 0.201 85 D C 0.569 176.901 176.300 0.054 0.000 0.986 85 D CA 1.105 55.138 54.000 0.054 0.000 0.847 85 D CB -0.084 40.748 40.800 0.053 0.000 0.942 85 D HN 0.205 nan 8.370 nan 0.000 0.467 86 Q N -1.936 117.906 119.800 0.071 0.000 2.422 86 Q HA -0.136 4.208 4.340 0.008 0.000 0.217 86 Q C -0.649 175.393 176.000 0.070 0.000 0.649 86 Q CA 0.330 56.175 55.803 0.070 0.000 1.316 86 Q CB -2.044 26.723 28.738 0.048 0.000 1.159 86 Q HN 0.421 nan 8.270 nan 0.000 0.896 87 Q N 0.439 120.284 119.800 0.075 0.000 2.288 87 Q HA 0.529 4.874 4.340 0.008 0.000 0.254 87 Q C -0.383 175.671 176.000 0.091 0.000 0.932 87 Q CA -0.063 55.781 55.803 0.068 0.000 0.902 87 Q CB 1.350 30.124 28.738 0.060 0.000 1.203 87 Q HN 0.102 nan 8.270 nan 0.000 0.415 88 V N 4.774 124.735 119.914 0.079 0.000 2.472 88 V HA 0.585 4.710 4.120 0.008 0.000 0.290 88 V C -0.190 175.964 176.094 0.100 0.000 1.037 88 V CA -0.561 61.798 62.300 0.098 0.000 0.908 88 V CB 1.516 33.389 31.823 0.082 0.000 0.985 88 V HN 0.679 nan 8.190 nan 0.000 0.454 89 R N 4.226 124.816 120.500 0.150 0.000 2.673 89 R HA 0.643 4.987 4.340 0.008 0.000 0.281 89 R C -1.529 174.926 176.300 0.258 0.000 0.991 89 R CA -0.824 55.382 56.100 0.178 0.000 0.896 89 R CB 2.279 32.683 30.300 0.174 0.000 1.201 89 R HN 0.529 nan 8.270 nan 0.000 0.457 90 L N 2.747 124.122 121.223 0.253 0.000 2.289 90 L HA 0.395 4.740 4.340 0.008 0.000 0.285 90 L C -0.495 176.516 176.870 0.235 0.000 1.049 90 L CA -0.674 54.292 54.840 0.211 0.000 0.804 90 L CB 0.774 42.890 42.059 0.096 0.000 1.195 90 L HN 0.487 nan 8.230 nan 0.000 0.428 91 F N 4.459 124.493 119.950 0.140 0.000 2.444 91 F HA 0.258 4.790 4.527 0.008 0.000 0.360 91 F C 0.899 176.669 175.800 -0.051 0.000 1.106 91 F CA -0.624 57.428 58.000 0.088 0.000 1.170 91 F CB -0.033 39.063 39.000 0.160 0.000 1.113 91 F HN 0.470 nan 8.300 nan 0.000 0.521 92 R N 4.887 125.032 120.500 -0.592 0.000 3.266 92 R HA -0.188 4.156 4.340 0.008 0.000 0.245 92 R C -1.928 174.124 176.300 -0.412 0.000 0.941 92 R CA 0.547 56.373 56.100 -0.455 0.000 0.638 92 R CB -1.572 28.220 30.300 -0.846 0.000 1.019 92 R HN 0.547 nan 8.270 nan 0.000 0.462 93 P HA -0.219 nan 4.420 nan 0.000 0.217 93 P C 1.236 178.222 177.300 -0.524 0.000 1.148 93 P CA 1.329 64.036 63.100 -0.656 0.000 0.828 93 P CB -0.247 30.895 31.700 -0.929 0.000 0.783 94 W N 0.149 121.318 121.300 -0.219 0.000 2.325 94 W HA -0.104 4.559 4.660 0.005 0.000 0.299 94 W C 2.355 178.789 176.519 -0.141 0.000 1.215 94 W CA 0.549 57.792 57.345 -0.169 0.000 1.244 94 W CB -1.466 27.913 29.460 -0.134 0.000 1.140 94 W HN -0.028 nan 8.180 nan 0.000 0.523 95 L N 0.461 121.724 121.223 0.067 0.000 2.056 95 L HA -0.217 4.127 4.340 0.008 0.000 0.207 95 L C 2.268 179.108 176.870 -0.050 0.000 1.078 95 L CA 1.232 56.063 54.840 -0.014 0.000 0.749 95 L CB -0.999 41.016 42.059 -0.074 0.000 0.901 95 L HN 0.025 nan 8.230 nan 0.000 0.433 96 N N -0.195 118.453 118.700 -0.086 0.000 2.188 96 N HA -0.144 4.601 4.740 0.008 0.000 0.184 96 N C 1.869 177.348 175.510 -0.053 0.000 1.018 96 N CA 1.243 54.242 53.050 -0.085 0.000 0.858 96 N CB -0.060 38.356 38.487 -0.117 0.000 0.989 96 N HN 0.303 nan 8.380 nan 0.000 0.426 97 M N 1.164 120.735 119.600 -0.048 0.000 2.132 97 M HA -0.089 4.395 4.480 0.008 0.000 0.263 97 M C 1.287 177.602 176.300 0.025 0.000 1.065 97 M CA 1.226 56.538 55.300 0.021 0.000 1.122 97 M CB -1.031 31.577 32.600 0.012 0.000 1.365 97 M HN -0.011 nan 8.290 nan 0.000 0.411 98 D N -0.060 120.340 120.400 -0.001 0.000 2.104 98 D HA -0.173 4.472 4.640 0.008 0.000 0.194 98 D C 2.116 178.401 176.300 -0.026 0.000 0.994 98 D CA 1.219 55.205 54.000 -0.024 0.000 0.830 98 D CB -0.345 40.444 40.800 -0.019 0.000 0.959 98 D HN 0.329 nan 8.370 nan 0.000 0.452 99 R N -0.048 120.437 120.500 -0.025 0.000 2.075 99 R HA -0.035 4.310 4.340 0.008 0.000 0.232 99 R C 2.341 178.645 176.300 0.006 0.000 1.126 99 R CA 0.887 56.971 56.100 -0.027 0.000 0.963 99 R CB -0.215 30.049 30.300 -0.060 0.000 0.858 99 R HN 0.144 nan 8.270 nan 0.000 0.435 100 M N 0.162 119.776 119.600 0.024 0.000 2.117 100 M HA -0.182 4.303 4.480 0.008 0.000 0.262 100 M C 1.820 178.190 176.300 0.117 0.000 1.065 100 M CA 1.455 56.806 55.300 0.085 0.000 1.114 100 M CB -0.014 32.679 32.600 0.155 0.000 1.361 100 M HN 0.251 nan 8.290 nan 0.000 0.408 101 L N 0.370 121.612 121.223 0.031 0.000 2.093 101 L HA -0.137 4.207 4.340 0.008 0.000 0.208 101 L C 2.410 179.239 176.870 -0.069 0.000 1.085 101 L CA 1.771 56.523 54.840 -0.147 0.000 0.755 101 L CB -0.579 41.293 42.059 -0.311 0.000 0.904 101 L HN 0.245 nan 8.230 nan 0.000 0.435 102 R N -1.515 118.982 120.500 -0.005 0.000 2.096 102 R HA -0.103 4.241 4.340 0.008 0.000 0.235 102 R C 2.280 178.636 176.300 0.092 0.000 1.127 102 R CA 1.445 57.587 56.100 0.069 0.000 0.968 102 R CB -0.360 30.020 30.300 0.134 0.000 0.861 102 R HN 0.339 nan 8.270 nan 0.000 0.440 103 S N 0.682 116.449 115.700 0.112 0.000 2.368 103 S HA -0.126 4.349 4.470 0.008 0.000 0.225 103 S C 2.050 176.610 174.600 -0.066 0.000 1.030 103 S CA 1.191 59.415 58.200 0.040 0.000 0.999 103 S CB -0.125 63.114 63.200 0.065 0.000 0.844 103 S HN 0.466 nan 8.310 nan 0.000 0.459 104 A N 1.953 124.768 122.820 -0.008 0.000 1.908 104 A HA -0.109 4.216 4.320 0.008 0.000 0.218 104 A C 2.089 179.623 177.584 -0.083 0.000 1.181 104 A CA 1.527 53.557 52.037 -0.011 0.000 0.627 104 A CB -0.540 18.505 19.000 0.075 0.000 0.818 104 A HN 0.369 nan 8.150 nan 0.000 0.445 105 M N -1.031 118.507 119.600 -0.103 0.000 2.229 105 M HA -0.056 4.428 4.480 0.008 0.000 0.264 105 M C 2.059 178.261 176.300 -0.165 0.000 1.063 105 M CA 1.598 56.827 55.300 -0.119 0.000 1.114 105 M CB -1.285 31.256 32.600 -0.098 0.000 1.387 105 M HN 0.466 nan 8.290 nan 0.000 0.420 106 R N 0.940 121.276 120.500 -0.273 0.000 2.115 106 R HA 0.017 4.362 4.340 0.008 0.000 0.230 106 R C 1.518 177.658 176.300 -0.267 0.000 1.111 106 R CA 1.212 57.064 56.100 -0.413 0.000 0.976 106 R CB -0.516 29.186 30.300 -0.997 0.000 0.870 106 R HN 0.406 nan 8.270 nan 0.000 0.445 107 L N -0.349 120.759 121.223 -0.193 0.000 2.685 107 L HA 0.141 4.486 4.340 0.008 0.000 0.233 107 L C -0.065 176.757 176.870 -0.080 0.000 1.173 107 L CA -0.335 54.439 54.840 -0.109 0.000 0.961 107 L CB 0.026 42.046 42.059 -0.064 0.000 1.217 107 L HN 0.241 nan 8.230 nan 0.000 0.478 108 C N 0.761 120.003 119.300 -0.097 0.000 4.167 108 C HA -0.191 4.274 4.460 0.008 0.000 0.302 108 C C 0.790 175.713 174.990 -0.111 0.000 1.384 108 C CA 0.044 59.010 59.018 -0.087 0.000 2.041 108 C CB -3.201 24.505 27.740 -0.056 0.000 1.303 108 C HN 0.368 nan 8.230 nan 0.000 0.718 109 L N 1.665 122.810 121.223 -0.130 0.000 2.358 109 L HA 0.596 4.940 4.340 0.008 0.000 0.268 109 L C -1.459 175.232 176.870 -0.299 0.000 1.032 109 L CA -1.802 52.922 54.840 -0.193 0.000 0.805 109 L CB 0.892 42.899 42.059 -0.086 0.000 1.253 109 L HN 0.008 nan 8.230 nan 0.000 0.452 110 P HA 0.002 nan 4.420 nan 0.000 0.268 110 P C -0.472 176.793 177.300 -0.058 0.000 1.204 110 P CA -0.021 62.680 63.100 -0.665 0.000 0.768 110 P CB 1.209 31.802 31.700 -1.845 0.000 0.842 111 S N 2.526 118.207 115.700 -0.030 0.000 2.600 111 S HA 0.586 5.060 4.470 0.008 0.000 0.265 111 S C -0.364 174.402 174.600 0.276 0.000 1.325 111 S CA -0.339 57.853 58.200 -0.013 0.000 1.002 111 S CB -0.428 62.722 63.200 -0.084 0.000 0.921 111 S HN 0.411 nan 8.310 nan 0.000 0.554 112 F N -0.158 119.832 119.950 0.066 0.000 2.711 112 F HA 0.503 5.034 4.527 0.006 0.000 0.313 112 F C -0.940 174.696 175.800 -0.273 0.000 1.141 112 F CA -1.378 56.500 58.000 -0.203 0.000 0.941 112 F CB 0.630 39.365 39.000 -0.442 0.000 1.349 112 F HN 0.419 nan 8.300 nan 0.000 0.464 113 D N 1.839 122.075 120.400 -0.274 0.000 2.325 113 D HA 0.170 4.815 4.640 0.008 0.000 0.251 113 D C 0.530 176.797 176.300 -0.054 0.000 1.196 113 D CA 0.017 53.892 54.000 -0.208 0.000 0.866 113 D CB 1.509 42.178 40.800 -0.218 0.000 1.101 113 D HN 0.712 nan 8.370 nan 0.000 0.476 114 K N 2.872 123.238 120.400 -0.055 0.000 2.063 114 K HA -0.121 4.204 4.320 0.008 0.000 0.208 114 K C 1.917 178.544 176.600 0.044 0.000 1.048 114 K CA 1.023 57.350 56.287 0.066 0.000 0.928 114 K CB 0.145 32.650 32.500 0.008 0.000 0.713 114 K HN 0.517 nan 8.250 nan 0.000 0.442 115 L N 0.912 122.145 121.223 0.016 0.000 2.217 115 L HA -0.135 4.209 4.340 0.008 0.000 0.211 115 L C 2.275 179.151 176.870 0.011 0.000 1.107 115 L CA 0.792 55.650 54.840 0.030 0.000 0.783 115 L CB -0.311 41.784 42.059 0.059 0.000 0.919 115 L HN 0.159 nan 8.230 nan 0.000 0.442 116 E N 0.168 120.346 120.200 -0.036 0.000 2.072 116 E HA -0.191 4.163 4.350 0.008 0.000 0.190 116 E C 2.135 178.762 176.600 0.045 0.000 0.982 116 E CA 0.926 57.300 56.400 -0.044 0.000 0.803 116 E CB -0.278 29.291 29.700 -0.219 0.000 0.755 116 E HN 0.270 nan 8.360 nan 0.000 0.453 117 L N 1.220 122.470 121.223 0.045 0.000 2.046 117 L HA -0.125 4.219 4.340 0.008 0.000 0.208 117 L C 2.292 179.159 176.870 -0.004 0.000 1.077 117 L CA 1.238 56.141 54.840 0.104 0.000 0.747 117 L CB -0.755 41.307 42.059 0.005 0.000 0.896 117 L HN 0.105 nan 8.230 nan 0.000 0.432 118 L N -0.213 120.977 121.223 -0.056 0.000 2.042 118 L HA -0.197 4.147 4.340 0.008 0.000 0.210 118 L C 2.460 179.294 176.870 -0.060 0.000 1.076 118 L CA 2.144 56.880 54.840 -0.173 0.000 0.749 118 L CB -0.924 40.928 42.059 -0.346 0.000 0.893 118 L HN 0.475 nan 8.230 nan 0.000 0.432 119 E N -0.759 119.462 120.200 0.035 0.000 2.077 119 E HA -0.188 4.166 4.350 0.008 0.000 0.193 119 E C 2.190 178.836 176.600 0.077 0.000 0.989 119 E CA 1.906 58.371 56.400 0.108 0.000 0.800 119 E CB -0.715 29.049 29.700 0.108 0.000 0.746 119 E HN 0.618 nan 8.360 nan 0.000 0.452 120 C N 0.135 119.469 119.300 0.057 0.000 2.435 120 C HA 0.030 4.495 4.460 0.008 0.000 0.279 120 C C 2.632 177.624 174.990 0.002 0.000 1.321 120 C CA 0.377 59.414 59.018 0.031 0.000 1.752 120 C CB -0.968 26.782 27.740 0.016 0.000 1.959 120 C HN 0.457 nan 8.230 nan 0.000 0.500 121 I N 0.379 120.940 120.570 -0.016 0.000 2.252 121 I HA -0.176 3.999 4.170 0.008 0.000 0.245 121 I C 2.933 179.058 176.117 0.012 0.000 1.102 121 I CA 1.222 62.501 61.300 -0.035 0.000 1.385 121 I CB -0.595 37.351 38.000 -0.089 0.000 1.064 121 I HN 0.331 nan 8.210 nan 0.000 0.414 122 R N 1.064 121.604 120.500 0.067 0.000 2.083 122 R HA -0.175 4.169 4.340 0.008 0.000 0.237 122 R C 2.480 178.823 176.300 0.071 0.000 1.137 122 R CA 1.445 57.627 56.100 0.137 0.000 0.951 122 R CB -0.098 30.360 30.300 0.263 0.000 0.851 122 R HN 0.242 nan 8.270 nan 0.000 0.434 123 R N 0.612 121.143 120.500 0.052 0.000 2.081 123 R HA -0.158 4.186 4.340 0.008 0.000 0.235 123 R C 2.332 178.636 176.300 0.005 0.000 1.131 123 R CA 0.990 57.105 56.100 0.026 0.000 0.960 123 R CB -0.879 29.434 30.300 0.022 0.000 0.856 123 R HN 0.269 nan 8.270 nan 0.000 0.436 124 L N 1.118 122.343 121.223 0.003 0.000 2.046 124 L HA -0.087 4.258 4.340 0.008 0.000 0.208 124 L C 2.162 179.035 176.870 0.004 0.000 1.077 124 L CA 1.554 56.392 54.840 -0.004 0.000 0.747 124 L CB -0.322 41.737 42.059 0.001 0.000 0.896 124 L HN 0.045 nan 8.230 nan 0.000 0.432 125 I N -0.494 120.086 120.570 0.018 0.000 2.286 125 I HA -0.271 3.904 4.170 0.008 0.000 0.248 125 I C 2.496 178.636 176.117 0.039 0.000 1.115 125 I CA 1.487 62.806 61.300 0.032 0.000 1.392 125 I CB -0.398 37.624 38.000 0.037 0.000 1.065 125 I HN 0.445 nan 8.210 nan 0.000 0.418 126 E N 1.124 121.340 120.200 0.027 0.000 2.038 126 E HA -0.212 4.143 4.350 0.008 0.000 0.195 126 E C 2.303 178.906 176.600 0.005 0.000 1.000 126 E CA 1.826 58.238 56.400 0.020 0.000 0.803 126 E CB 0.066 29.773 29.700 0.012 0.000 0.750 126 E HN 0.228 nan 8.360 nan 0.000 0.448 127 V N 1.496 121.390 119.914 -0.033 0.000 2.282 127 V HA -0.241 3.883 4.120 0.008 0.000 0.249 127 V C 1.290 177.359 176.094 -0.042 0.000 1.057 127 V CA 2.189 64.426 62.300 -0.104 0.000 1.032 127 V CB -0.372 31.305 31.823 -0.244 0.000 0.645 127 V HN 0.301 nan 8.190 nan 0.000 0.447 128 D N -0.599 119.825 120.400 0.040 0.000 2.460 128 D HA 0.048 4.693 4.640 0.008 0.000 0.229 128 D C 1.839 178.297 176.300 0.264 0.000 1.170 128 D CA 0.040 54.174 54.000 0.223 0.000 0.827 128 D CB 0.009 40.909 40.800 0.166 0.000 0.973 128 D HN 0.647 nan 8.370 nan 0.000 0.496 129 K N 0.167 120.655 120.400 0.146 0.000 2.113 129 K HA -0.165 4.160 4.320 0.008 0.000 0.208 129 K C 0.873 177.546 176.600 0.122 0.000 1.047 129 K CA 1.121 57.480 56.287 0.118 0.000 0.928 129 K CB 0.003 32.544 32.500 0.069 0.000 0.716 129 K HN -0.061 nan 8.250 nan 0.000 0.446 130 D N -0.026 120.434 120.400 0.100 0.000 2.351 130 D HA -0.137 4.508 4.640 0.008 0.000 0.216 130 D C 0.956 177.206 176.300 -0.083 0.000 0.968 130 D CA 0.941 54.933 54.000 -0.012 0.000 0.899 130 D CB -0.078 40.677 40.800 -0.075 0.000 0.907 130 D HN 0.478 nan 8.370 nan 0.000 0.514 131 W N 0.793 122.106 121.300 0.021 0.000 3.077 131 W HA 0.067 4.731 4.660 0.007 0.000 0.266 131 W C 0.592 177.116 176.519 0.008 0.000 1.300 131 W CA -0.100 57.255 57.345 0.015 0.000 1.586 131 W CB 0.220 29.693 29.460 0.021 0.000 1.103 131 W HN -0.324 nan 8.180 nan 0.000 0.652 132 V N 5.198 125.238 119.914 0.209 0.000 2.403 132 V HA 0.036 4.161 4.120 0.008 0.000 0.265 132 V C -1.184 174.972 176.094 0.104 0.000 1.034 132 V CA -1.524 60.859 62.300 0.138 0.000 1.036 132 V CB -0.697 31.191 31.823 0.108 0.000 1.032 132 V HN -0.203 nan 8.190 nan 0.000 0.478 133 P HA 0.138 nan 4.420 nan 0.000 0.271 133 P C -0.387 176.980 177.300 0.112 0.000 1.244 133 P CA 0.046 63.196 63.100 0.084 0.000 0.793 133 P CB 0.845 32.593 31.700 0.081 0.000 0.984 134 D N -2.666 117.794 120.400 0.099 0.000 2.516 134 D HA 0.212 4.856 4.640 0.008 0.000 0.241 134 D C 0.413 176.763 176.300 0.084 0.000 1.246 134 D CA -0.308 53.768 54.000 0.126 0.000 0.808 134 D CB -0.534 40.328 40.800 0.104 0.000 1.147 134 D HN 0.368 nan 8.370 nan 0.000 0.527 135 A N 0.883 123.739 122.820 0.060 0.000 2.425 135 A HA 0.602 4.926 4.320 0.008 0.000 0.242 135 A C 0.922 178.513 177.584 0.011 0.000 1.077 135 A CA 0.014 52.066 52.037 0.024 0.000 0.781 135 A CB 0.050 19.063 19.000 0.023 0.000 1.020 135 A HN 0.515 nan 8.150 nan 0.000 0.494 136 A N 0.603 123.397 122.820 -0.044 0.000 2.598 136 A HA 0.422 4.747 4.320 0.008 0.000 0.239 136 A C 1.679 179.256 177.584 -0.011 0.000 1.032 136 A CA 0.962 52.939 52.037 -0.100 0.000 0.760 136 A CB -1.037 17.913 19.000 -0.082 0.000 0.946 136 A HN 2.790 nan 8.150 nan 0.000 0.512 137 G N 2.077 110.879 108.800 0.004 0.000 2.233 137 G HA2 -0.154 3.811 3.960 0.008 0.000 0.270 137 G HA3 -0.154 3.811 3.960 0.008 0.000 0.270 137 G C 0.503 175.549 174.900 0.244 0.000 1.011 137 G CA 1.528 46.740 45.100 0.187 0.000 0.762 137 G HN 2.317 nan 8.290 nan 0.000 0.511 138 T N -2.670 112.039 114.554 0.257 0.000 2.949 138 T HA 0.905 5.259 4.350 0.008 0.000 0.287 138 T C 0.098 174.932 174.700 0.223 0.000 1.034 138 T CA 0.557 62.775 62.100 0.196 0.000 1.018 138 T CB 2.653 71.601 68.868 0.132 0.000 1.135 138 T HN 1.809 nan 8.240 nan 0.000 0.532 139 S N 0.264 116.013 115.700 0.081 0.000 2.683 139 S HA 0.592 5.066 4.470 0.008 0.000 0.269 139 S C -1.908 172.652 174.600 -0.066 0.000 1.165 139 S CA -1.099 57.049 58.200 -0.086 0.000 0.840 139 S CB 0.947 63.883 63.200 -0.440 0.000 1.169 139 S HN 1.030 nan 8.310 nan 0.000 0.490 140 L N 1.743 122.885 121.223 -0.135 0.000 2.305 140 L HA 0.664 5.008 4.340 0.008 0.000 0.284 140 L C -1.355 175.480 176.870 -0.059 0.000 1.013 140 L CA -0.510 54.299 54.840 -0.051 0.000 0.819 140 L CB 1.215 43.262 42.059 -0.020 0.000 1.227 140 L HN 0.807 nan 8.230 nan 0.000 0.417 141 Y N 4.844 125.060 120.300 -0.141 0.000 2.313 141 Y HA 0.595 5.150 4.550 0.008 0.000 0.332 141 Y C -0.754 175.093 175.900 -0.088 0.000 1.071 141 Y CA -0.365 57.666 58.100 -0.116 0.000 1.169 141 Y CB 1.218 39.574 38.460 -0.173 0.000 1.192 141 Y HN 0.369 nan 8.280 nan 0.000 0.487 142 V N 7.431 127.024 119.914 -0.534 0.000 2.417 142 V HA 0.461 4.586 4.120 0.008 0.000 0.291 142 V C -0.682 175.110 176.094 -0.503 0.000 1.024 142 V CA -0.885 61.195 62.300 -0.367 0.000 0.861 142 V CB 1.394 33.060 31.823 -0.261 0.000 0.985 142 V HN 0.607 nan 8.190 nan 0.000 0.436 143 R N 6.711 127.069 120.500 -0.237 0.000 2.443 143 R HA 0.524 4.869 4.340 0.008 0.000 0.287 143 R C -3.080 173.153 176.300 -0.113 0.000 1.425 143 R CA -2.068 53.953 56.100 -0.130 0.000 1.300 143 R CB 1.201 31.536 30.300 0.059 0.000 1.129 143 R HN 0.388 nan 8.270 nan 0.000 0.577 144 P HA 0.316 nan 4.420 nan 0.000 0.281 144 P C -1.088 176.060 177.300 -0.254 0.000 1.249 144 P CA -0.520 62.450 63.100 -0.216 0.000 0.810 144 P CB 1.471 33.058 31.700 -0.189 0.000 1.008 145 V N 2.271 121.901 119.914 -0.472 0.000 2.932 145 V HA 0.448 4.573 4.120 0.008 0.000 0.307 145 V C -1.113 174.716 176.094 -0.441 0.000 1.147 145 V CA -0.566 61.423 62.300 -0.518 0.000 0.951 145 V CB 2.262 33.436 31.823 -1.082 0.000 1.031 145 V HN 0.320 nan 8.190 nan 0.000 0.426 146 L N 6.037 127.153 121.223 -0.178 0.000 2.409 146 L HA 0.823 5.167 4.340 0.008 0.000 0.272 146 L C -0.806 176.079 176.870 0.024 0.000 0.980 146 L CA -0.178 54.636 54.840 -0.044 0.000 0.826 146 L CB 1.594 43.678 42.059 0.043 0.000 1.268 146 L HN 0.709 nan 8.230 nan 0.000 0.407 147 I N 0.996 121.613 120.570 0.078 0.000 2.828 147 I HA 0.909 5.083 4.170 0.008 0.000 0.302 147 I C 0.362 176.537 176.117 0.097 0.000 1.101 147 I CA -0.872 60.489 61.300 0.101 0.000 1.031 147 I CB 2.144 40.232 38.000 0.146 0.000 1.231 147 I HN 0.674 nan 8.210 nan 0.000 0.427 148 G N 1.727 110.578 108.800 0.087 0.000 2.569 148 G HA2 0.275 4.239 3.960 0.008 0.000 0.249 148 G HA3 0.275 4.239 3.960 0.008 0.000 0.249 148 G C -0.211 174.747 174.900 0.098 0.000 1.216 148 G CA -0.189 44.962 45.100 0.085 0.000 0.845 148 G HN 0.815 nan 8.290 nan 0.000 0.568 149 N N -0.921 117.836 118.700 0.096 0.000 2.423 149 N HA -0.006 4.739 4.740 0.008 0.000 0.262 149 N C -0.566 174.971 175.510 0.046 0.000 1.467 149 N CA -0.335 52.763 53.050 0.080 0.000 0.847 149 N CB 0.483 39.024 38.487 0.090 0.000 1.394 149 N HN 0.608 nan 8.380 nan 0.000 0.495 150 E N 1.413 121.635 120.200 0.036 0.000 2.289 150 E HA 0.217 4.572 4.350 0.008 0.000 0.278 150 E C -2.115 174.427 176.600 -0.097 0.000 1.032 150 E CA -2.005 54.385 56.400 -0.017 0.000 0.854 150 E CB 1.050 30.758 29.700 0.013 0.000 1.046 150 E HN 0.144 nan 8.360 nan 0.000 0.409 151 P HA 0.045 nan 4.420 nan 0.000 0.220 151 P C -1.071 175.998 177.300 -0.385 0.000 1.806 151 P CA 0.055 62.807 63.100 -0.579 0.000 0.976 151 P CB 0.053 31.180 31.700 -0.956 0.000 1.952 152 S N 1.236 116.819 115.700 -0.195 0.000 2.536 152 S HA 0.361 4.836 4.470 0.008 0.000 0.271 152 S C 0.535 175.103 174.600 -0.054 0.000 1.134 152 S CA -0.740 57.398 58.200 -0.105 0.000 0.897 152 S CB 1.070 64.236 63.200 -0.058 0.000 1.094 152 S HN 0.076 nan 8.310 nan 0.000 0.473 153 L N 3.000 124.207 121.223 -0.027 0.000 2.558 153 L HA 0.297 4.642 4.340 0.008 0.000 0.225 153 L C 1.598 178.597 176.870 0.214 0.000 1.128 153 L CA 0.175 55.049 54.840 0.057 0.000 0.868 153 L CB -0.594 41.472 42.059 0.012 0.000 1.006 153 L HN 0.812 nan 8.230 nan 0.000 0.454 154 G N 0.423 109.282 108.800 0.099 0.000 2.398 154 G HA2 0.271 4.235 3.960 0.008 0.000 0.246 154 G HA3 0.271 4.235 3.960 0.008 0.000 0.246 154 G C -0.111 174.779 174.900 -0.016 0.000 1.289 154 G CA -0.316 44.803 45.100 0.031 0.000 0.869 154 G HN -0.085 nan 8.290 nan 0.000 0.543 155 V N 3.015 122.783 119.914 -0.243 0.000 2.364 155 V HA 0.390 4.514 4.120 0.008 0.000 0.252 155 V C 0.540 176.535 176.094 -0.165 0.000 1.075 155 V CA 0.495 62.532 62.300 -0.439 0.000 1.033 155 V CB -0.828 30.644 31.823 -0.586 0.000 1.116 155 V HN 1.041 nan 8.190 nan 0.000 0.488 156 S N 2.982 118.649 115.700 -0.056 0.000 2.672 156 S HA 0.439 4.913 4.470 0.008 0.000 0.271 156 S C -0.732 173.877 174.600 0.015 0.000 1.171 156 S CA -0.967 57.220 58.200 -0.022 0.000 0.817 156 S CB 1.554 64.746 63.200 -0.013 0.000 1.150 156 S HN 0.546 nan 8.310 nan 0.000 0.478 157 Q N 1.731 121.539 119.800 0.014 0.000 2.244 157 Q HA 0.300 4.645 4.340 0.008 0.000 0.278 157 Q C -2.270 173.768 176.000 0.063 0.000 1.093 157 Q CA -1.275 54.546 55.803 0.029 0.000 0.916 157 Q CB -0.019 28.734 28.738 0.026 0.000 1.159 157 Q HN 0.395 nan 8.270 nan 0.000 0.384 158 P HA 0.022 nan 4.420 nan 0.000 0.272 158 P C -0.626 176.815 177.300 0.235 0.000 1.223 158 P CA 0.016 63.190 63.100 0.123 0.000 0.784 158 P CB 0.691 32.461 31.700 0.115 0.000 0.923 159 R N 0.897 121.510 120.500 0.190 0.000 2.432 159 R HA 0.240 4.585 4.340 0.008 0.000 0.260 159 R C 0.715 177.038 176.300 0.039 0.000 0.935 159 R CA 0.005 56.184 56.100 0.131 0.000 1.080 159 R CB 0.609 30.897 30.300 -0.020 0.000 1.155 159 R HN 0.480 nan 8.270 nan 0.000 0.531 160 R N 0.141 120.783 120.500 0.237 0.000 2.668 160 R HA 0.625 4.969 4.340 0.008 0.000 0.272 160 R C -1.935 174.552 176.300 0.311 0.000 1.019 160 R CA -0.378 55.844 56.100 0.203 0.000 0.894 160 R CB 2.265 32.593 30.300 0.046 0.000 1.228 160 R HN 0.089 nan 8.270 nan 0.000 0.460 161 A N 2.527 125.536 122.820 0.316 0.000 2.610 161 A HA 0.700 5.024 4.320 0.008 0.000 0.291 161 A C -2.196 175.493 177.584 0.175 0.000 1.086 161 A CA -0.619 51.525 52.037 0.178 0.000 0.677 161 A CB 1.881 20.899 19.000 0.030 0.000 1.278 161 A HN 0.513 nan 8.150 nan 0.000 0.414 162 L N 0.408 121.737 121.223 0.176 0.000 2.436 162 L HA 0.798 5.142 4.340 0.008 0.000 0.268 162 L C -1.703 175.313 176.870 0.243 0.000 0.974 162 L CA -0.378 54.594 54.840 0.220 0.000 0.826 162 L CB 1.751 43.927 42.059 0.195 0.000 1.291 162 L HN 0.804 nan 8.230 nan 0.000 0.406 163 L N 5.810 127.173 121.223 0.232 0.000 2.333 163 L HA 0.760 5.105 4.340 0.008 0.000 0.280 163 L C -1.439 175.467 176.870 0.061 0.000 1.004 163 L CA -0.539 54.338 54.840 0.062 0.000 0.820 163 L CB 1.216 43.259 42.059 -0.026 0.000 1.247 163 L HN 0.769 nan 8.230 nan 0.000 0.416 164 F N 3.369 123.251 119.950 -0.112 0.000 2.643 164 F HA 0.849 5.380 4.527 0.007 0.000 0.314 164 F C -1.676 174.052 175.800 -0.119 0.000 1.096 164 F CA -1.061 56.860 58.000 -0.133 0.000 0.953 164 F CB 1.524 40.447 39.000 -0.128 0.000 1.345 164 F HN 0.022 nan 8.300 nan 0.000 0.468 165 V N 3.179 123.137 119.914 0.074 0.000 2.686 165 V HA 0.625 4.749 4.120 0.008 0.000 0.306 165 V C -0.323 175.842 176.094 0.118 0.000 1.065 165 V CA -0.708 61.591 62.300 -0.001 0.000 0.894 165 V CB 1.761 33.545 31.823 -0.066 0.000 1.004 165 V HN 0.903 nan 8.190 nan 0.000 0.424 166 I N 2.565 123.223 120.570 0.147 0.000 2.892 166 I HA 0.799 4.973 4.170 0.008 0.000 0.306 166 I C -1.286 174.936 176.117 0.174 0.000 1.078 166 I CA -1.059 60.386 61.300 0.242 0.000 1.032 166 I CB 2.347 40.579 38.000 0.386 0.000 1.229 166 I HN 0.387 nan 8.210 nan 0.000 0.435 167 L N 3.398 124.723 121.223 0.169 0.000 2.362 167 L HA 0.694 5.038 4.340 0.008 0.000 0.271 167 L C -1.149 175.706 176.870 -0.026 0.000 1.002 167 L CA -0.557 54.307 54.840 0.040 0.000 0.818 167 L CB 2.070 44.111 42.059 -0.030 0.000 1.298 167 L HN 0.677 nan 8.230 nan 0.000 0.420 168 C N 2.169 121.422 119.300 -0.079 0.000 2.431 168 C HA 0.516 4.981 4.460 0.008 0.000 0.321 168 C C -2.530 172.370 174.990 -0.149 0.000 1.202 168 C CA -1.480 57.385 59.018 -0.254 0.000 1.398 168 C CB 2.083 29.568 27.740 -0.424 0.000 2.047 168 C HN 0.441 nan 8.230 nan 0.000 0.465 169 P HA 0.346 nan 4.420 nan 0.000 0.276 169 P C -0.908 176.362 177.300 -0.050 0.000 1.230 169 P CA -0.030 63.075 63.100 0.009 0.000 0.776 169 P CB 0.640 32.422 31.700 0.137 0.000 0.888 170 V N 3.033 122.944 119.914 -0.005 0.000 2.495 170 V HA 0.454 4.579 4.120 0.008 0.000 0.298 170 V C 1.452 177.582 176.094 0.061 0.000 1.031 170 V CA -0.174 62.136 62.300 0.017 0.000 0.871 170 V CB 1.538 33.410 31.823 0.082 0.000 0.988 170 V HN 0.726 nan 8.190 nan 0.000 0.432 171 G N 2.254 111.088 108.800 0.057 0.000 2.920 171 G HA2 0.533 4.497 3.960 0.008 0.000 0.208 171 G HA3 0.533 4.497 3.960 0.008 0.000 0.208 171 G C 0.468 175.414 174.900 0.076 0.000 1.159 171 G CA 0.980 46.114 45.100 0.057 0.000 0.784 171 G HN 1.569 nan 8.290 nan 0.000 0.535 172 A N -1.997 120.891 122.820 0.113 0.000 2.829 172 A HA 0.367 4.692 4.320 0.008 0.000 0.479 172 A C -1.231 176.450 177.584 0.161 0.000 0.968 172 A CA -0.205 51.917 52.037 0.142 0.000 0.434 172 A CB -0.790 18.273 19.000 0.104 0.000 2.615 172 A HN 0.940 nan 8.150 nan 0.000 0.629 180 T N 1.509 116.113 114.554 0.083 0.000 3.238 180 T HA 0.218 4.573 4.350 0.008 0.000 0.431 180 T C -3.213 171.544 174.700 0.094 0.000 1.486 180 T CA -0.283 61.851 62.100 0.057 0.000 1.022 180 T CB 0.263 69.154 68.868 0.038 0.000 1.580 180 T HN 0.909 nan 8.240 nan 0.000 0.445 181 P HA 0.585 nan 4.420 nan 0.000 0.274 181 P C -0.222 177.239 177.300 0.267 0.000 1.246 181 P CA -0.514 62.688 63.100 0.170 0.000 0.795 181 P CB 1.099 32.902 31.700 0.170 0.000 1.006 182 V N -1.944 118.168 119.914 0.330 0.000 3.046 182 V HA 0.771 4.896 4.120 0.008 0.000 0.316 182 V C -0.185 175.996 176.094 0.146 0.000 1.104 182 V CA -0.953 61.506 62.300 0.265 0.000 1.006 182 V CB 1.451 33.375 31.823 0.169 0.000 1.058 182 V HN 0.724 nan 8.190 nan 0.000 0.440 183 S N 2.657 118.392 115.700 0.057 0.000 2.549 183 S HA 0.866 5.341 4.470 0.008 0.000 0.297 183 S C -0.729 173.836 174.600 -0.059 0.000 1.115 183 S CA -0.788 57.337 58.200 -0.126 0.000 1.059 183 S CB 1.240 64.388 63.200 -0.088 0.000 1.046 183 S HN 0.836 nan 8.310 nan 0.000 0.506 184 L N 2.093 123.263 121.223 -0.087 0.000 2.381 184 L HA 0.577 4.921 4.340 0.008 0.000 0.268 184 L C -1.064 175.762 176.870 -0.074 0.000 0.997 184 L CA -1.125 53.669 54.840 -0.075 0.000 0.818 184 L CB 1.829 43.842 42.059 -0.077 0.000 1.310 184 L HN 0.596 nan 8.230 nan 0.000 0.416 185 L N 2.850 124.017 121.223 -0.093 0.000 2.264 185 L HA 0.700 5.044 4.340 0.008 0.000 0.289 185 L C -0.097 176.722 176.870 -0.085 0.000 1.044 185 L CA -0.072 54.727 54.840 -0.069 0.000 0.807 185 L CB 1.203 43.210 42.059 -0.086 0.000 1.192 185 L HN 0.679 nan 8.230 nan 0.000 0.425 186 A N 4.359 127.175 122.820 -0.006 0.000 2.508 186 A HA 0.510 4.834 4.320 0.008 0.000 0.336 186 A C -0.938 176.710 177.584 0.106 0.000 1.360 186 A CA -0.546 51.500 52.037 0.014 0.000 0.841 186 A CB -0.122 18.883 19.000 0.007 0.000 1.136 186 A HN 0.662 nan 8.150 nan 0.000 0.489 187 D N 3.367 123.815 120.400 0.079 0.000 2.492 187 D HA 0.425 5.070 4.640 0.008 0.000 0.248 187 D C -2.042 174.203 176.300 -0.092 0.000 1.101 187 D CA -1.813 52.198 54.000 0.018 0.000 0.840 187 D CB 2.340 43.193 40.800 0.087 0.000 1.209 187 D HN 0.129 nan 8.370 nan 0.000 0.524 188 P HA -0.054 nan 4.420 nan 0.000 0.223 188 P C 0.936 178.125 177.300 -0.185 0.000 1.144 188 P CA 0.711 63.685 63.100 -0.210 0.000 0.783 188 P CB 0.267 31.772 31.700 -0.324 0.000 0.771 189 A N -1.354 121.218 122.820 -0.414 0.000 2.070 189 A HA -0.088 4.236 4.320 0.008 0.000 0.220 189 A C 0.721 178.030 177.584 -0.458 0.000 1.159 189 A CA 0.868 52.574 52.037 -0.552 0.000 0.656 189 A CB -1.202 17.274 19.000 -0.873 0.000 0.800 189 A HN 0.166 nan 8.150 nan 0.000 0.453 190 F N -0.171 119.839 119.950 0.101 0.000 2.415 190 F HA 0.575 5.106 4.527 0.008 0.000 0.348 190 F C -0.071 175.961 175.800 0.387 0.000 1.119 190 F CA -0.693 57.444 58.000 0.228 0.000 1.069 190 F CB 1.179 40.268 39.000 0.149 0.000 1.124 190 F HN -0.108 nan 8.300 nan 0.000 0.472 191 I N 4.164 125.061 120.570 0.545 0.000 2.411 191 I HA 0.323 4.498 4.170 0.008 0.000 0.284 191 I C 0.819 177.166 176.117 0.383 0.000 1.012 191 I CA -0.528 61.059 61.300 0.480 0.000 1.119 191 I CB 2.031 40.249 38.000 0.364 0.000 1.261 191 I HN 0.757 nan 8.210 nan 0.000 0.448 192 R N 4.588 125.189 120.500 0.168 0.000 2.127 192 R HA 0.306 4.651 4.340 0.008 0.000 0.217 192 R C 0.464 176.637 176.300 -0.211 0.000 1.074 192 R CA 0.858 56.760 56.100 -0.330 0.000 0.991 192 R CB 0.461 30.091 30.300 -1.116 0.000 0.895 192 R HN 0.790 nan 8.270 nan 0.000 0.450 193 A N -0.874 121.903 122.820 -0.071 0.000 2.586 193 A HA 0.526 4.850 4.320 0.008 0.000 0.290 193 A C -2.114 175.465 177.584 -0.009 0.000 1.086 193 A CA -0.801 51.009 52.037 -0.379 0.000 0.665 193 A CB 0.455 19.122 19.000 -0.554 0.000 1.279 193 A HN 0.368 nan 8.150 nan 0.000 0.423 194 W N -1.112 120.124 121.300 -0.107 0.000 3.075 194 W HA 0.659 5.324 4.660 0.008 0.000 0.334 194 W C -1.119 175.339 176.519 -0.102 0.000 1.243 194 W CA -1.210 56.109 57.345 -0.044 0.000 1.170 194 W CB 0.546 30.123 29.460 0.194 0.000 1.452 194 W HN 0.484 nan 8.180 nan 0.000 0.572 195 V N 3.293 123.329 119.914 0.202 0.000 2.599 195 V HA 0.349 4.474 4.120 0.008 0.000 0.300 195 V C 1.219 177.434 176.094 0.201 0.000 1.034 195 V CA 2.046 64.411 62.300 0.109 0.000 1.115 195 V CB 0.157 32.090 31.823 0.184 0.000 0.934 195 V HN 1.486 nan 8.190 nan 0.000 0.485 196 G N 3.397 112.243 108.800 0.077 0.000 2.176 196 G HA2 -0.153 3.812 3.960 0.008 0.000 0.253 196 G HA3 -0.153 3.812 3.960 0.008 0.000 0.253 196 G C 0.517 175.470 174.900 0.089 0.000 0.979 196 G CA 0.200 45.372 45.100 0.120 0.000 0.641 196 G HN 1.294 nan 8.290 nan 0.000 0.530 197 G N -1.010 107.686 108.800 -0.174 0.000 2.630 197 G HA2 0.645 4.610 3.960 0.008 0.000 0.223 197 G HA3 0.645 4.610 3.960 0.008 0.000 0.223 197 G C 0.938 175.640 174.900 -0.330 0.000 1.434 197 G CA 0.963 45.731 45.100 -0.552 0.000 1.057 197 G HN 1.355 nan 8.290 nan 0.000 0.570 198 V N -2.482 117.180 119.914 -0.420 0.000 2.988 198 V HA 0.473 4.598 4.120 0.008 0.000 0.356 198 V C 1.615 177.609 176.094 -0.167 0.000 1.380 198 V CA 0.441 62.697 62.300 -0.074 0.000 1.184 198 V CB 0.236 32.046 31.823 -0.022 0.000 1.204 198 V HN 0.775 nan 8.190 nan 0.000 0.530 199 G N 2.503 111.070 108.800 -0.388 0.000 2.471 199 G HA2 -0.229 3.735 3.960 0.008 0.000 0.219 199 G HA3 -0.229 3.735 3.960 0.008 0.000 0.219 199 G C 0.981 175.673 174.900 -0.346 0.000 1.125 199 G CA 0.978 45.838 45.100 -0.399 0.000 0.775 199 G HN 0.869 nan 8.290 nan 0.000 0.548 200 N N -1.607 116.846 118.700 -0.411 0.000 2.362 200 N HA 0.207 4.952 4.740 0.008 0.000 0.204 200 N C -0.726 174.360 175.510 -0.706 0.000 1.166 200 N CA -0.358 52.371 53.050 -0.535 0.000 0.831 200 N CB 0.018 38.152 38.487 -0.587 0.000 1.008 200 N HN 0.302 nan 8.380 nan 0.000 0.472 201 Y N 0.077 120.277 120.300 -0.168 0.000 2.545 201 Y HA 0.323 4.877 4.550 0.007 0.000 0.348 201 Y C -0.011 175.807 175.900 -0.138 0.000 1.002 201 Y CA -1.344 56.673 58.100 -0.138 0.000 1.039 201 Y CB 1.675 40.065 38.460 -0.115 0.000 1.271 201 Y HN -0.185 nan 8.280 nan 0.000 0.467 202 K N 3.287 123.679 120.400 -0.013 0.000 2.333 202 K HA 0.396 4.721 4.320 0.008 0.000 0.241 202 K C -1.431 175.110 176.600 -0.098 0.000 1.193 202 K CA 0.027 56.213 56.287 -0.168 0.000 1.142 202 K CB -0.524 31.705 32.500 -0.452 0.000 1.731 202 K HN 0.562 nan 8.250 nan 0.000 0.344 203 L N 0.912 122.209 121.223 0.123 0.000 2.307 203 L HA 0.311 4.656 4.340 0.008 0.000 0.282 203 L C 1.710 178.835 176.870 0.427 0.000 1.051 203 L CA -0.739 54.224 54.840 0.205 0.000 0.804 203 L CB 1.528 43.654 42.059 0.111 0.000 1.197 203 L HN 0.506 nan 8.230 nan 0.000 0.431 204 G N 2.140 111.215 108.800 0.458 0.000 2.469 204 G HA2 -0.242 3.722 3.960 0.008 0.000 0.220 204 G HA3 -0.242 3.722 3.960 0.008 0.000 0.220 204 G C 1.396 176.513 174.900 0.360 0.000 1.136 204 G CA 0.933 46.310 45.100 0.463 0.000 0.759 204 G HN 0.927 nan 8.290 nan 0.000 0.562 205 G N 0.490 109.422 108.800 0.220 0.000 2.479 205 G HA2 -0.239 3.725 3.960 0.008 0.000 0.220 205 G HA3 -0.239 3.725 3.960 0.008 0.000 0.220 205 G C 1.593 176.538 174.900 0.075 0.000 1.115 205 G CA 1.016 46.200 45.100 0.139 0.000 0.757 205 G HN 0.599 nan 8.290 nan 0.000 0.560 206 N N -1.061 117.650 118.700 0.018 0.000 2.381 206 N HA -0.047 4.697 4.740 0.008 0.000 0.182 206 N C 1.545 176.821 175.510 -0.390 0.000 1.025 206 N CA 0.730 53.619 53.050 -0.268 0.000 0.888 206 N CB -0.092 38.095 38.487 -0.500 0.000 0.965 206 N HN 0.477 nan 8.380 nan 0.000 0.438 207 Y N -0.101 120.226 120.300 0.046 0.000 2.389 207 Y HA 0.219 4.773 4.550 0.008 0.000 0.292 207 Y C 2.570 178.502 175.900 0.053 0.000 1.117 207 Y CA 0.365 58.497 58.100 0.054 0.000 1.195 207 Y CB -0.676 37.851 38.460 0.112 0.000 1.076 207 Y HN -0.040 nan 8.280 nan 0.000 0.548 208 G N 1.476 110.393 108.800 0.195 0.000 2.513 208 G HA2 -0.241 3.724 3.960 0.008 0.000 0.219 208 G HA3 -0.241 3.724 3.960 0.008 0.000 0.219 208 G C -0.687 174.279 174.900 0.109 0.000 1.160 208 G CA 1.021 46.200 45.100 0.132 0.000 0.767 208 G HN 0.305 nan 8.290 nan 0.000 0.571 209 P HA 0.018 nan 4.420 nan 0.000 0.234 209 P C 1.885 179.264 177.300 0.131 0.000 1.167 209 P CA 1.618 64.781 63.100 0.105 0.000 0.763 209 P CB -0.069 31.693 31.700 0.103 0.000 0.835 210 T N -4.798 109.833 114.554 0.129 0.000 3.081 210 T HA 0.009 4.363 4.350 0.008 0.000 0.255 210 T C 1.669 176.473 174.700 0.173 0.000 1.113 210 T CA 0.272 62.510 62.100 0.230 0.000 1.082 210 T CB -1.151 67.872 68.868 0.259 0.000 0.939 210 T HN -0.140 nan 8.240 nan 0.000 0.506 211 V N 1.722 121.711 119.914 0.124 0.000 2.255 211 V HA -0.130 3.994 4.120 0.008 0.000 0.247 211 V C 2.557 178.678 176.094 0.044 0.000 1.051 211 V CA 1.815 64.166 62.300 0.085 0.000 1.018 211 V CB -1.017 30.850 31.823 0.074 0.000 0.641 211 V HN 0.443 nan 8.190 nan 0.000 0.445 212 L N 0.078 121.325 121.223 0.041 0.000 2.042 212 L HA -0.126 4.218 4.340 0.008 0.000 0.210 212 L C 2.319 179.145 176.870 -0.073 0.000 1.076 212 L CA 1.862 56.707 54.840 0.008 0.000 0.749 212 L CB -0.483 41.599 42.059 0.038 0.000 0.893 212 L HN 0.149 nan 8.230 nan 0.000 0.432 213 V N -0.621 119.220 119.914 -0.122 0.000 2.427 213 V HA -0.262 3.862 4.120 0.008 0.000 0.248 213 V C 2.536 178.444 176.094 -0.311 0.000 1.051 213 V CA 1.655 63.711 62.300 -0.405 0.000 1.048 213 V CB -0.687 30.865 31.823 -0.452 0.000 0.666 213 V HN 0.572 nan 8.190 nan 0.000 0.456 214 Q N 0.490 120.219 119.800 -0.118 0.000 2.079 214 Q HA -0.213 4.132 4.340 0.008 0.000 0.200 214 Q C 2.198 178.152 176.000 -0.078 0.000 0.974 214 Q CA 1.832 57.588 55.803 -0.079 0.000 0.840 214 Q CB -0.423 28.325 28.738 0.016 0.000 0.898 214 Q HN 0.673 nan 8.270 nan 0.000 0.430 215 Q N -0.298 119.469 119.800 -0.055 0.000 2.135 215 Q HA -0.226 4.118 4.340 0.008 0.000 0.204 215 Q C 1.924 177.890 176.000 -0.057 0.000 0.981 215 Q CA 1.559 57.339 55.803 -0.039 0.000 0.856 215 Q CB -0.119 28.608 28.738 -0.019 0.000 0.902 215 Q HN 0.401 nan 8.270 nan 0.000 0.425 216 E N 0.755 120.894 120.200 -0.101 0.000 2.077 216 E HA -0.156 4.199 4.350 0.008 0.000 0.193 216 E C 1.762 178.311 176.600 -0.086 0.000 0.989 216 E CA 1.349 57.694 56.400 -0.091 0.000 0.800 216 E CB -0.234 29.375 29.700 -0.152 0.000 0.746 216 E HN 0.335 nan 8.360 nan 0.000 0.452 217 A N 0.503 123.242 122.820 -0.135 0.000 1.908 217 A HA -0.165 4.159 4.320 0.008 0.000 0.218 217 A C 2.306 179.860 177.584 -0.051 0.000 1.181 217 A CA 1.592 53.567 52.037 -0.103 0.000 0.627 217 A CB -0.771 18.147 19.000 -0.136 0.000 0.818 217 A HN 0.341 nan 8.150 nan 0.000 0.445 218 L N -0.138 121.060 121.223 -0.042 0.000 1.994 218 L HA -0.226 4.119 4.340 0.008 0.000 0.208 218 L C 2.560 179.424 176.870 -0.010 0.000 1.071 218 L CA 1.969 56.798 54.840 -0.019 0.000 0.745 218 L CB -0.595 41.456 42.059 -0.014 0.000 0.892 218 L HN 0.513 nan 8.230 nan 0.000 0.431 219 K N 0.003 120.397 120.400 -0.011 0.000 2.360 219 K HA -0.154 4.170 4.320 0.008 0.000 0.201 219 K C 1.708 178.310 176.600 0.003 0.000 1.046 219 K CA 1.090 57.377 56.287 -0.001 0.000 0.940 219 K CB -0.266 32.236 32.500 0.003 0.000 0.748 219 K HN 0.307 nan 8.250 nan 0.000 0.465 220 R N 0.090 120.589 120.500 -0.001 0.000 2.334 220 R HA 0.069 4.414 4.340 0.008 0.000 0.216 220 R C 0.632 176.936 176.300 0.006 0.000 0.905 220 R CA 0.565 56.668 56.100 0.006 0.000 1.064 220 R CB 0.663 30.968 30.300 0.009 0.000 1.046 220 R HN 0.563 nan 8.270 nan 0.000 0.508 221 G N 0.774 109.577 108.800 0.005 0.000 2.176 221 G HA2 -0.270 3.695 3.960 0.008 0.000 0.253 221 G HA3 -0.270 3.695 3.960 0.008 0.000 0.253 221 G C 0.256 175.164 174.900 0.013 0.000 0.979 221 G CA -0.003 45.105 45.100 0.013 0.000 0.641 221 G HN 0.342 nan 8.290 nan 0.000 0.530 222 C N -0.150 119.148 119.300 -0.003 0.000 2.349 222 C HA 0.656 5.120 4.460 0.008 0.000 0.361 222 C C 1.655 176.642 174.990 -0.005 0.000 1.189 222 C CA -0.225 58.788 59.018 -0.009 0.000 2.155 222 C CB 1.536 29.256 27.740 -0.033 0.000 2.336 222 C HN 0.536 nan 8.230 nan 0.000 0.540 223 E N -0.480 119.725 120.200 0.008 0.000 2.307 223 E HA 0.037 4.392 4.350 0.008 0.000 0.195 223 E C 0.236 176.841 176.600 0.008 0.000 0.975 223 E CA 0.657 57.068 56.400 0.019 0.000 0.878 223 E CB 0.347 30.079 29.700 0.053 0.000 0.845 223 E HN 0.639 nan 8.360 nan 0.000 0.488 224 Q N -0.222 119.572 119.800 -0.011 0.000 2.626 224 Q HA 0.449 4.794 4.340 0.008 0.000 0.300 224 Q C -1.357 174.583 176.000 -0.099 0.000 0.988 224 Q CA -0.766 55.024 55.803 -0.023 0.000 0.761 224 Q CB 2.860 31.612 28.738 0.024 0.000 1.494 224 Q HN -0.112 nan 8.270 nan 0.000 0.439 225 V N 1.765 121.585 119.914 -0.156 0.000 2.435 225 V HA 0.320 4.445 4.120 0.008 0.000 0.290 225 V C -0.905 174.946 176.094 -0.405 0.000 1.030 225 V CA -0.654 61.408 62.300 -0.396 0.000 0.881 225 V CB 1.398 32.770 31.823 -0.752 0.000 0.983 225 V HN 0.497 nan 8.190 nan 0.000 0.445 226 L N 5.950 126.968 121.223 -0.343 0.000 2.255 226 L HA 0.526 4.871 4.340 0.008 0.000 0.289 226 L C -0.874 175.847 176.870 -0.249 0.000 1.046 226 L CA -0.266 54.461 54.840 -0.189 0.000 0.816 226 L CB 0.496 42.487 42.059 -0.113 0.000 1.197 226 L HN 0.626 nan 8.230 nan 0.000 0.427 227 W N 6.453 127.767 121.300 0.024 0.000 2.356 227 W HA 0.461 5.126 4.660 0.008 0.000 0.311 227 W C -0.359 176.200 176.519 0.066 0.000 1.328 227 W CA -0.217 57.164 57.345 0.061 0.000 1.251 227 W CB 0.416 29.900 29.460 0.040 0.000 1.280 227 W HN 0.359 nan 8.180 nan 0.000 0.524 228 L N 3.602 124.990 121.223 0.274 0.000 2.352 228 L HA 0.567 4.912 4.340 0.008 0.000 0.269 228 L C -0.823 176.250 176.870 0.337 0.000 1.034 228 L CA -1.418 53.550 54.840 0.212 0.000 0.806 228 L CB 1.096 43.191 42.059 0.060 0.000 1.244 228 L HN 0.311 nan 8.230 nan 0.000 0.447 229 Y N 0.478 120.872 120.300 0.156 0.000 2.470 229 Y HA 0.629 5.184 4.550 0.008 0.000 0.341 229 Y C 0.110 176.105 175.900 0.158 0.000 1.021 229 Y CA -0.041 58.155 58.100 0.161 0.000 1.025 229 Y CB 1.963 40.501 38.460 0.129 0.000 1.266 229 Y HN 0.762 nan 8.280 nan 0.000 0.448 230 G N 5.225 113.710 108.800 -0.525 0.000 2.746 230 G HA2 -0.178 3.786 3.960 0.008 0.000 0.685 230 G HA3 -0.178 3.786 3.960 0.008 0.000 0.685 230 G C -2.694 172.162 174.900 -0.073 0.000 1.350 230 G CA -0.560 44.322 45.100 -0.363 0.000 0.837 230 G HN 0.504 nan 8.290 nan 0.000 0.564 231 P HA 0.019 nan 4.420 nan 0.000 0.212 231 P C 1.399 178.572 177.300 -0.210 0.000 1.180 231 P CA 1.419 64.449 63.100 -0.117 0.000 0.906 231 P CB 0.079 31.721 31.700 -0.096 0.000 0.782 232 D N -1.723 118.600 120.400 -0.128 0.000 2.271 232 D HA -0.167 4.478 4.640 0.008 0.000 0.207 232 D C -0.302 175.960 176.300 -0.062 0.000 0.983 232 D CA 1.008 54.938 54.000 -0.117 0.000 0.878 232 D CB -0.586 40.206 40.800 -0.013 0.000 0.920 232 D HN 0.394 nan 8.370 nan 0.000 0.479 233 H N -0.761 118.329 119.070 0.034 0.000 3.180 233 H HA -0.122 4.439 4.556 0.007 0.000 0.352 233 H C -0.021 175.329 175.328 0.036 0.000 1.345 233 H CA -0.036 56.042 56.048 0.050 0.000 1.275 233 H CB -1.431 28.376 29.762 0.074 0.000 1.489 233 H HN 0.338 nan 8.280 nan 0.000 0.458 234 Q N 1.083 120.995 119.800 0.188 0.000 2.260 234 Q HA 0.450 4.794 4.340 0.008 0.000 0.242 234 Q C -0.367 175.698 176.000 0.109 0.000 0.932 234 Q CA -0.993 54.887 55.803 0.128 0.000 0.891 234 Q CB 1.770 30.587 28.738 0.132 0.000 1.222 234 Q HN 0.208 nan 8.270 nan 0.000 0.453 235 L N 3.025 124.269 121.223 0.034 0.000 2.369 235 L HA 0.100 4.445 4.340 0.008 0.000 0.279 235 L C 1.421 178.294 176.870 0.005 0.000 1.108 235 L CA 0.460 55.300 54.840 0.001 0.000 0.852 235 L CB 0.802 42.817 42.059 -0.074 0.000 1.169 235 L HN 1.011 nan 8.230 nan 0.000 0.452 236 T N -0.042 114.545 114.554 0.056 0.000 3.115 236 T HA 0.242 4.596 4.350 0.008 0.000 0.235 236 T C 0.323 175.012 174.700 -0.017 0.000 0.999 236 T CA 0.162 62.270 62.100 0.014 0.000 1.276 236 T CB 0.075 68.965 68.868 0.037 0.000 0.967 236 T HN 0.575 nan 8.240 nan 0.000 0.420 237 E N -0.227 120.016 120.200 0.071 0.000 2.433 237 E HA 0.619 4.974 4.350 0.008 0.000 0.278 237 E C -1.907 174.820 176.600 0.211 0.000 0.976 237 E CA -1.294 55.146 56.400 0.067 0.000 0.793 237 E CB 2.325 32.027 29.700 0.003 0.000 1.311 237 E HN 0.182 nan 8.360 nan 0.000 0.460 238 V N 1.511 121.517 119.914 0.153 0.000 2.350 238 V HA 0.566 4.691 4.120 0.008 0.000 0.285 238 V C 0.649 176.857 176.094 0.191 0.000 1.014 238 V CA 1.047 63.438 62.300 0.151 0.000 0.831 238 V CB -0.002 31.849 31.823 0.047 0.000 1.000 238 V HN 1.111 nan 8.190 nan 0.000 0.433 239 G N 5.781 114.759 108.800 0.297 0.000 2.601 239 G HA2 -0.319 3.645 3.960 0.008 0.000 0.306 239 G HA3 -0.319 3.645 3.960 0.008 0.000 0.306 239 G C 0.647 175.720 174.900 0.288 0.000 1.172 239 G CA 0.922 46.200 45.100 0.298 0.000 0.966 239 G HN 2.018 nan 8.290 nan 0.000 0.542 240 T N -2.002 112.667 114.554 0.193 0.000 3.483 240 T HA 0.742 5.096 4.350 0.008 0.000 0.258 240 T C 0.013 174.780 174.700 0.112 0.000 1.013 240 T CA 0.290 62.500 62.100 0.184 0.000 1.078 240 T CB -0.114 68.867 68.868 0.188 0.000 1.111 240 T HN 0.670 nan 8.240 nan 0.000 0.538 241 M N 1.160 120.818 119.600 0.096 0.000 2.520 241 M HA 0.443 4.928 4.480 0.008 0.000 0.283 241 M C -0.971 175.360 176.300 0.052 0.000 1.237 241 M CA -0.855 54.485 55.300 0.066 0.000 0.885 241 M CB 2.250 34.883 32.600 0.056 0.000 1.727 241 M HN -0.005 nan 8.290 nan 0.000 0.468 242 N N 1.403 120.131 118.700 0.045 0.000 2.483 242 N HA 0.523 5.268 4.740 0.008 0.000 0.269 242 N C -1.313 174.195 175.510 -0.003 0.000 1.209 242 N CA -0.172 52.869 53.050 -0.016 0.000 0.969 242 N CB 1.707 40.176 38.487 -0.030 0.000 1.173 242 N HN 0.613 nan 8.380 nan 0.000 0.475 243 I N 1.167 121.651 120.570 -0.143 0.000 2.441 243 I HA 0.417 4.592 4.170 0.008 0.000 0.295 243 I C -1.288 174.583 176.117 -0.410 0.000 0.994 243 I CA -0.625 60.571 61.300 -0.173 0.000 1.144 243 I CB 0.677 38.584 38.000 -0.155 0.000 1.314 243 I HN 0.263 nan 8.210 nan 0.000 0.445 244 F N 5.583 125.197 119.950 -0.561 0.000 2.546 244 F HA 0.622 5.153 4.527 0.007 0.000 0.320 244 F C -0.493 174.857 175.800 -0.751 0.000 1.076 244 F CA -0.646 56.909 58.000 -0.741 0.000 0.928 244 F CB 2.174 40.437 39.000 -1.229 0.000 1.189 244 F HN -0.013 nan 8.300 nan 0.000 0.465 245 V N 2.660 122.340 119.914 -0.390 0.000 2.577 245 V HA 0.277 4.401 4.120 0.008 0.000 0.303 245 V C -1.620 174.303 176.094 -0.285 0.000 1.042 245 V CA -0.944 61.069 62.300 -0.478 0.000 0.872 245 V CB 1.826 33.091 31.823 -0.931 0.000 0.998 245 V HN 0.551 nan 8.190 nan 0.000 0.423 246 Y N 7.158 127.342 120.300 -0.193 0.000 2.342 246 Y HA 0.790 5.345 4.550 0.008 0.000 0.338 246 Y C -0.888 175.069 175.900 0.095 0.000 0.965 246 Y CA -1.402 56.692 58.100 -0.010 0.000 1.159 246 Y CB 1.187 39.711 38.460 0.106 0.000 1.157 246 Y HN 0.787 nan 8.280 nan 0.000 0.486 247 W N 2.461 123.692 121.300 -0.116 0.000 2.881 247 W HA 0.555 5.219 4.660 0.008 0.000 0.380 247 W C -2.000 174.436 176.519 -0.139 0.000 1.170 247 W CA -1.522 55.721 57.345 -0.170 0.000 1.171 247 W CB 0.042 29.476 29.460 -0.043 0.000 1.464 247 W HN 0.313 nan 8.180 nan 0.000 0.574 248 T N 1.987 116.566 114.554 0.041 0.000 2.733 248 T HA 0.231 4.585 4.350 0.008 0.000 0.294 248 T C 0.010 174.504 174.700 -0.345 0.000 0.956 248 T CA -0.146 61.896 62.100 -0.096 0.000 0.987 248 T CB 0.360 69.179 68.868 -0.082 0.000 0.920 248 T HN 0.494 nan 8.240 nan 0.000 0.470 249 H N 1.966 120.727 119.070 -0.516 0.000 2.654 249 H HA 0.072 4.632 4.556 0.008 0.000 0.376 249 H C 1.295 176.354 175.328 -0.448 0.000 1.503 249 H CA -0.223 55.391 56.048 -0.724 0.000 1.464 249 H CB 0.746 30.281 29.762 -0.378 0.000 1.565 249 H HN 0.729 nan 8.280 nan 0.000 0.614 250 E N -0.372 119.460 120.200 -0.614 0.000 2.153 250 E HA -0.185 4.170 4.350 0.008 0.000 0.194 250 E C 1.043 177.422 176.600 -0.367 0.000 0.988 250 E CA 1.283 57.403 56.400 -0.467 0.000 0.811 250 E CB 0.005 29.423 29.700 -0.470 0.000 0.746 250 E HN 0.591 nan 8.360 nan 0.000 0.466 251 D N -0.501 119.638 120.400 -0.435 0.000 2.338 251 D HA -0.002 4.643 4.640 0.008 0.000 0.239 251 D C 1.077 177.296 176.300 -0.134 0.000 1.095 251 D CA 0.680 54.541 54.000 -0.232 0.000 0.888 251 D CB -0.335 40.349 40.800 -0.194 0.000 0.899 251 D HN 0.182 nan 8.370 nan 0.000 0.525 252 G N -0.478 108.237 108.800 -0.141 0.000 2.233 252 G HA2 -0.260 3.704 3.960 0.008 0.000 0.270 252 G HA3 -0.260 3.704 3.960 0.008 0.000 0.270 252 G C 0.075 174.952 174.900 -0.038 0.000 1.011 252 G CA 0.467 45.517 45.100 -0.085 0.000 0.762 252 G HN 0.420 nan 8.290 nan 0.000 0.511 253 V N 0.869 120.775 119.914 -0.014 0.000 2.394 253 V HA 0.553 4.678 4.120 0.008 0.000 0.282 253 V C 0.687 176.831 176.094 0.083 0.000 1.031 253 V CA -0.944 61.385 62.300 0.049 0.000 0.881 253 V CB 1.665 33.537 31.823 0.082 0.000 0.982 253 V HN 0.425 nan 8.190 nan 0.000 0.451 254 L N 6.508 127.788 121.223 0.094 0.000 2.462 254 L HA 0.350 4.694 4.340 0.008 0.000 0.272 254 L C 0.244 177.250 176.870 0.226 0.000 1.166 254 L CA 0.944 55.841 54.840 0.095 0.000 0.880 254 L CB -0.059 42.038 42.059 0.064 0.000 1.142 254 L HN 0.923 nan 8.230 nan 0.000 0.473 255 E N 3.911 124.279 120.200 0.279 0.000 2.445 255 E HA 0.542 4.897 4.350 0.008 0.000 0.279 255 E C -1.757 175.131 176.600 0.480 0.000 1.018 255 E CA -1.107 55.547 56.400 0.423 0.000 0.816 255 E CB 1.359 31.299 29.700 0.399 0.000 1.356 255 E HN 0.396 nan 8.360 nan 0.000 0.462 256 L N 1.942 123.465 121.223 0.501 0.000 2.319 256 L HA 0.603 4.948 4.340 0.008 0.000 0.281 256 L C -1.486 175.574 176.870 0.317 0.000 1.005 256 L CA -0.754 54.353 54.840 0.445 0.000 0.828 256 L CB 1.505 43.915 42.059 0.586 0.000 1.227 256 L HN 0.551 nan 8.230 nan 0.000 0.415 257 V N 4.711 124.703 119.914 0.129 0.000 2.769 257 V HA 0.826 4.951 4.120 0.008 0.000 0.312 257 V C -0.729 175.238 176.094 -0.211 0.000 1.061 257 V CA 0.061 62.360 62.300 -0.000 0.000 0.931 257 V CB 2.323 34.138 31.823 -0.013 0.000 1.010 257 V HN 0.915 nan 8.190 nan 0.000 0.433 258 T N 6.367 120.743 114.554 -0.296 0.000 2.956 258 T HA 0.595 4.949 4.350 0.008 0.000 0.312 258 T C -3.049 171.444 174.700 -0.344 0.000 1.151 258 T CA -1.427 60.331 62.100 -0.570 0.000 1.024 258 T CB 2.168 70.314 68.868 -1.203 0.000 1.140 258 T HN 0.590 nan 8.240 nan 0.000 0.473 259 P HA 0.167 nan 4.420 nan 0.000 0.265 259 P C -2.456 174.736 177.300 -0.180 0.000 1.187 259 P CA -0.715 62.270 63.100 -0.193 0.000 0.766 259 P CB -0.029 31.569 31.700 -0.170 0.000 0.820 260 P HA 0.093 nan 4.420 nan 0.000 0.274 260 P C -0.433 176.797 177.300 -0.118 0.000 1.237 260 P CA 0.000 63.039 63.100 -0.102 0.000 0.793 260 P CB 0.688 32.351 31.700 -0.062 0.000 0.977 261 L N 2.716 123.871 121.223 -0.112 0.000 2.395 261 L HA 0.115 4.460 4.340 0.008 0.000 0.268 261 L C 1.375 178.171 176.870 -0.122 0.000 1.223 261 L CA -0.037 54.723 54.840 -0.132 0.000 1.093 261 L CB -0.926 41.058 42.059 -0.126 0.000 1.349 261 L HN 0.442 nan 8.230 nan 0.000 0.427 262 N N 0.885 119.508 118.700 -0.128 0.000 2.214 262 N HA 0.103 4.848 4.740 0.008 0.000 0.214 262 N C 0.957 176.385 175.510 -0.137 0.000 1.132 262 N CA 0.466 53.452 53.050 -0.107 0.000 0.856 262 N CB 1.154 39.594 38.487 -0.078 0.000 1.020 262 N HN 0.559 nan 8.380 nan 0.000 0.509 263 G N -0.241 108.445 108.800 -0.190 0.000 2.349 263 G HA2 -0.315 3.649 3.960 0.008 0.000 0.213 263 G HA3 -0.315 3.649 3.960 0.008 0.000 0.213 263 G C 0.631 175.353 174.900 -0.296 0.000 1.044 263 G CA 0.210 45.174 45.100 -0.227 0.000 0.633 263 G HN 0.355 nan 8.290 nan 0.000 0.506 264 V N 1.574 121.287 119.914 -0.335 0.000 3.608 264 V HA 0.473 4.598 4.120 0.008 0.000 0.269 264 V C 1.289 177.163 176.094 -0.366 0.000 1.245 264 V CA 0.975 63.019 62.300 -0.426 0.000 1.138 264 V CB -0.691 30.800 31.823 -0.552 0.000 0.841 264 V HN 0.895 nan 8.190 nan 0.000 0.451 265 I N -2.403 117.987 120.570 -0.299 0.000 2.693 265 I HA 0.548 4.723 4.170 0.008 0.000 0.303 265 I C -0.556 175.412 176.117 -0.248 0.000 1.025 265 I CA -1.018 60.129 61.300 -0.255 0.000 1.086 265 I CB 2.044 39.924 38.000 -0.201 0.000 1.268 265 I HN -0.148 nan 8.210 nan 0.000 0.440 266 L N 5.835 126.929 121.223 -0.215 0.000 2.360 266 L HA 0.448 4.792 4.340 0.008 0.000 0.276 266 L C -2.226 174.550 176.870 -0.157 0.000 1.121 266 L CA -1.530 53.195 54.840 -0.191 0.000 0.845 266 L CB 0.740 42.716 42.059 -0.138 0.000 1.143 266 L HN 0.531 nan 8.230 nan 0.000 0.452 267 P HA 0.134 nan 4.420 nan 0.000 0.252 267 P C 0.134 177.380 177.300 -0.091 0.000 1.727 267 P CA -0.248 62.775 63.100 -0.128 0.000 1.134 267 P CB 0.136 31.752 31.700 -0.140 0.000 1.876 268 G N 1.781 110.542 108.800 -0.063 0.000 2.432 268 G HA2 0.112 4.076 3.960 0.008 0.000 0.239 268 G HA3 0.112 4.076 3.960 0.008 0.000 0.239 268 G C 1.238 176.124 174.900 -0.024 0.000 1.291 268 G CA -0.481 44.602 45.100 -0.028 0.000 0.863 268 G HN 0.191 nan 8.290 nan 0.000 0.560 269 V N 2.811 122.714 119.914 -0.018 0.000 2.358 269 V HA -0.172 3.953 4.120 0.008 0.000 0.246 269 V C 2.941 179.033 176.094 -0.003 0.000 1.047 269 V CA 1.594 63.874 62.300 -0.035 0.000 1.035 269 V CB -0.547 31.267 31.823 -0.015 0.000 0.658 269 V HN 0.558 nan 8.190 nan 0.000 0.452 270 V N 0.393 120.334 119.914 0.045 0.000 2.343 270 V HA -0.263 3.861 4.120 0.008 0.000 0.247 270 V C 2.560 178.637 176.094 -0.028 0.000 1.051 270 V CA 2.346 64.649 62.300 0.005 0.000 1.036 270 V CB -0.901 30.902 31.823 -0.034 0.000 0.654 270 V HN 0.540 nan 8.190 nan 0.000 0.451 271 R N 0.294 120.832 120.500 0.064 0.000 2.083 271 R HA -0.289 4.055 4.340 0.008 0.000 0.237 271 R C 2.400 178.786 176.300 0.143 0.000 1.137 271 R CA 2.373 58.605 56.100 0.220 0.000 0.951 271 R CB -0.349 30.042 30.300 0.152 0.000 0.851 271 R HN 0.478 nan 8.270 nan 0.000 0.434 272 Q N 0.394 120.209 119.800 0.024 0.000 2.170 272 Q HA -0.062 4.283 4.340 0.008 0.000 0.203 272 Q C 1.913 177.891 176.000 -0.037 0.000 0.976 272 Q CA 2.309 58.106 55.803 -0.010 0.000 0.858 272 Q CB -0.071 28.631 28.738 -0.060 0.000 0.907 272 Q HN 0.355 nan 8.270 nan 0.000 0.433 273 S N -0.171 115.451 115.700 -0.130 0.000 2.368 273 S HA -0.031 4.443 4.470 0.008 0.000 0.224 273 S C 1.757 176.330 174.600 -0.046 0.000 1.029 273 S CA 1.038 59.121 58.200 -0.196 0.000 0.988 273 S CB -0.230 62.766 63.200 -0.341 0.000 0.838 273 S HN 0.382 nan 8.310 nan 0.000 0.462 274 L N 0.670 121.760 121.223 -0.222 0.000 2.056 274 L HA -0.082 4.262 4.340 0.008 0.000 0.207 274 L C 2.230 179.009 176.870 -0.152 0.000 1.078 274 L CA 0.668 55.190 54.840 -0.530 0.000 0.749 274 L CB -0.643 40.764 42.059 -1.087 0.000 0.901 274 L HN 0.268 nan 8.230 nan 0.000 0.433 275 L N 0.159 121.407 121.223 0.042 0.000 1.989 275 L HA -0.249 4.096 4.340 0.008 0.000 0.211 275 L C 2.327 179.233 176.870 0.061 0.000 1.071 275 L CA 1.820 56.738 54.840 0.130 0.000 0.749 275 L CB -1.124 41.022 42.059 0.145 0.000 0.890 275 L HN 0.241 nan 8.230 nan 0.000 0.431 276 D N -1.173 119.278 120.400 0.085 0.000 2.106 276 D HA -0.276 4.368 4.640 0.008 0.000 0.191 276 D C 2.308 178.615 176.300 0.011 0.000 0.997 276 D CA 1.428 55.499 54.000 0.118 0.000 0.834 276 D CB -0.194 40.804 40.800 0.330 0.000 0.956 276 D HN 0.273 nan 8.370 nan 0.000 0.448 277 M N 0.273 119.870 119.600 -0.004 0.000 2.086 277 M HA -0.178 4.306 4.480 0.008 0.000 0.261 277 M C 2.038 177.824 176.300 -0.856 0.000 1.067 277 M CA 1.824 56.938 55.300 -0.311 0.000 1.116 277 M CB 0.048 32.568 32.600 -0.133 0.000 1.348 277 M HN 0.035 nan 8.290 nan 0.000 0.407 278 A N -0.652 121.825 122.820 -0.571 0.000 1.898 278 A HA -0.217 4.108 4.320 0.008 0.000 0.216 278 A C 1.878 179.258 177.584 -0.340 0.000 1.181 278 A CA 1.724 53.416 52.037 -0.575 0.000 0.620 278 A CB -0.796 18.204 19.000 -0.001 0.000 0.819 278 A HN 0.572 nan 8.150 nan 0.000 0.442 279 Q N -0.036 119.666 119.800 -0.164 0.000 2.030 279 Q HA -0.144 4.201 4.340 0.008 0.000 0.204 279 Q C 2.060 178.004 176.000 -0.093 0.000 0.986 279 Q CA 2.706 58.461 55.803 -0.082 0.000 0.843 279 Q CB -1.155 27.573 28.738 -0.016 0.000 0.904 279 Q HN 0.581 nan 8.270 nan 0.000 0.420 280 T N 0.067 114.544 114.554 -0.127 0.000 2.635 280 T HA -0.201 4.154 4.350 0.008 0.000 0.267 280 T C 1.190 175.922 174.700 0.053 0.000 1.040 280 T CA 1.581 63.644 62.100 -0.062 0.000 1.156 280 T CB -0.507 68.309 68.868 -0.087 0.000 0.863 280 T HN 0.409 nan 8.240 nan 0.000 0.430 281 W N 0.783 122.037 121.300 -0.077 0.000 2.321 281 W HA 0.072 4.737 4.660 0.007 0.000 0.306 281 W C 2.201 178.639 176.519 -0.135 0.000 1.217 281 W CA 1.009 58.286 57.345 -0.114 0.000 1.257 281 W CB -1.511 27.843 29.460 -0.176 0.000 1.145 281 W HN 0.540 nan 8.180 nan 0.000 0.509 282 G N 0.186 109.014 108.800 0.047 0.000 2.160 282 G HA2 -0.353 3.612 3.960 0.008 0.000 0.251 282 G HA3 -0.353 3.612 3.960 0.008 0.000 0.251 282 G C 0.806 175.691 174.900 -0.025 0.000 1.008 282 G CA 0.641 45.734 45.100 -0.012 0.000 0.724 282 G HN 0.423 nan 8.290 nan 0.000 0.514 283 E N -1.348 118.790 120.200 -0.105 0.000 2.400 283 E HA 0.371 4.726 4.350 0.008 0.000 0.195 283 E C 0.676 177.367 176.600 0.152 0.000 1.012 283 E CA 0.780 57.188 56.400 0.014 0.000 0.875 283 E CB 0.197 29.949 29.700 0.087 0.000 0.859 283 E HN 0.862 nan 8.360 nan 0.000 0.498 284 F N -2.209 117.868 119.950 0.211 0.000 2.713 284 F HA 0.414 4.946 4.527 0.008 0.000 0.311 284 F C -0.745 175.180 175.800 0.209 0.000 1.141 284 F CA -1.632 56.497 58.000 0.215 0.000 0.939 284 F CB 0.844 40.018 39.000 0.289 0.000 1.325 284 F HN -0.417 nan 8.300 nan 0.000 0.453 285 R N 1.656 122.436 120.500 0.466 0.000 2.489 285 R HA 0.513 4.857 4.340 0.008 0.000 0.287 285 R C -1.633 174.934 176.300 0.444 0.000 1.053 285 R CA -0.095 56.210 56.100 0.341 0.000 1.036 285 R CB 0.742 31.212 30.300 0.283 0.000 0.966 285 R HN 0.674 nan 8.270 nan 0.000 0.432 286 V N 6.417 126.508 119.914 0.295 0.000 2.407 286 V HA 0.368 4.492 4.120 0.008 0.000 0.291 286 V C -0.192 176.024 176.094 0.204 0.000 1.018 286 V CA -0.592 61.887 62.300 0.297 0.000 0.842 286 V CB 1.403 33.355 31.823 0.215 0.000 0.996 286 V HN 0.667 nan 8.190 nan 0.000 0.426 287 V N 1.789 121.819 119.914 0.194 0.000 3.078 287 V HA 0.725 4.849 4.120 0.008 0.000 0.311 287 V C -0.841 175.289 176.094 0.061 0.000 1.138 287 V CA -0.894 61.478 62.300 0.121 0.000 1.007 287 V CB 2.520 34.418 31.823 0.125 0.000 1.045 287 V HN 0.790 nan 8.190 nan 0.000 0.432 288 E N 2.568 122.784 120.200 0.026 0.000 2.114 288 E HA 0.663 5.017 4.350 0.008 0.000 0.266 288 E C -0.633 175.958 176.600 -0.016 0.000 0.896 288 E CA -0.520 55.863 56.400 -0.029 0.000 0.750 288 E CB 1.805 31.481 29.700 -0.040 0.000 1.121 288 E HN 0.641 nan 8.360 nan 0.000 0.413 289 R N 2.030 122.512 120.500 -0.030 0.000 2.710 289 R HA 0.295 4.639 4.340 0.008 0.000 0.270 289 R C -0.850 175.440 176.300 -0.017 0.000 1.021 289 R CA -0.550 55.548 56.100 -0.002 0.000 0.889 289 R CB 1.877 32.199 30.300 0.036 0.000 1.243 289 R HN 0.411 nan 8.270 nan 0.000 0.464 290 T N 3.032 117.592 114.554 0.010 0.000 2.946 290 T HA 0.226 4.580 4.350 0.008 0.000 0.311 290 T C 0.184 174.902 174.700 0.030 0.000 1.063 290 T CA 0.499 62.610 62.100 0.019 0.000 1.139 290 T CB 0.001 68.898 68.868 0.049 0.000 0.994 290 T HN 0.271 nan 8.240 nan 0.000 0.547 291 I N 2.962 123.540 120.570 0.013 0.000 2.466 291 I HA 0.330 4.504 4.170 0.008 0.000 0.289 291 I C 0.553 176.696 176.117 0.042 0.000 1.026 291 I CA -0.851 60.466 61.300 0.027 0.000 1.078 291 I CB 2.145 40.093 38.000 -0.086 0.000 1.249 291 I HN 0.644 nan 8.210 nan 0.000 0.429 292 T N 2.482 117.087 114.554 0.084 0.000 2.945 292 T HA 0.376 4.730 4.350 0.008 0.000 0.286 292 T C 1.027 175.750 174.700 0.038 0.000 1.025 292 T CA -0.897 61.244 62.100 0.067 0.000 1.039 292 T CB 1.841 70.756 68.868 0.078 0.000 1.068 292 T HN 0.348 nan 8.240 nan 0.000 0.497 293 M N 0.787 120.380 119.600 -0.013 0.000 2.159 293 M HA -0.013 4.472 4.480 0.008 0.000 0.263 293 M C 2.183 178.471 176.300 -0.020 0.000 1.063 293 M CA 1.637 56.856 55.300 -0.135 0.000 1.110 293 M CB -1.277 31.070 32.600 -0.422 0.000 1.374 293 M HN 0.909 nan 8.290 nan 0.000 0.411 294 K N 0.444 120.875 120.400 0.050 0.000 2.032 294 K HA -0.217 4.108 4.320 0.008 0.000 0.209 294 K C 1.874 178.528 176.600 0.091 0.000 1.048 294 K CA 1.666 58.000 56.287 0.078 0.000 0.927 294 K CB -0.059 32.482 32.500 0.068 0.000 0.712 294 K HN 0.417 nan 8.250 nan 0.000 0.441 295 Q N 0.314 120.184 119.800 0.118 0.000 2.124 295 Q HA -0.163 4.182 4.340 0.008 0.000 0.202 295 Q C 2.181 178.328 176.000 0.245 0.000 0.977 295 Q CA 1.271 57.175 55.803 0.168 0.000 0.850 295 Q CB -0.125 28.765 28.738 0.255 0.000 0.901 295 Q HN 0.270 nan 8.270 nan 0.000 0.429 296 L N 0.617 121.980 121.223 0.233 0.000 2.005 296 L HA -0.143 4.201 4.340 0.008 0.000 0.207 296 L C 1.979 178.944 176.870 0.159 0.000 1.072 296 L CA 1.515 56.498 54.840 0.237 0.000 0.744 296 L CB -0.508 41.587 42.059 0.060 0.000 0.895 296 L HN 0.191 nan 8.230 nan 0.000 0.433 297 L N -0.512 120.768 121.223 0.095 0.000 2.021 297 L HA -0.289 4.056 4.340 0.008 0.000 0.215 297 L C 2.860 179.788 176.870 0.097 0.000 1.074 297 L CA 1.852 56.748 54.840 0.095 0.000 0.760 297 L CB -0.577 41.546 42.059 0.107 0.000 0.889 297 L HN 0.335 nan 8.230 nan 0.000 0.433 298 R N -0.203 120.352 120.500 0.092 0.000 2.115 298 R HA -0.114 4.231 4.340 0.008 0.000 0.226 298 R C 2.186 178.521 176.300 0.059 0.000 1.100 298 R CA 1.193 57.331 56.100 0.064 0.000 0.980 298 R CB -0.085 30.241 30.300 0.043 0.000 0.875 298 R HN 0.370 nan 8.270 nan 0.000 0.445 299 A N 0.751 123.631 122.820 0.100 0.000 1.970 299 A HA -0.025 4.300 4.320 0.008 0.000 0.216 299 A C 2.097 179.757 177.584 0.126 0.000 1.170 299 A CA 0.580 52.677 52.037 0.100 0.000 0.645 299 A CB -0.217 18.919 19.000 0.226 0.000 0.816 299 A HN 0.252 nan 8.150 nan 0.000 0.447 300 L N -0.954 120.351 121.223 0.137 0.000 1.973 300 L HA -0.144 4.201 4.340 0.008 0.000 0.208 300 L C 2.663 179.586 176.870 0.088 0.000 1.073 300 L CA 1.295 56.203 54.840 0.114 0.000 0.746 300 L CB -0.594 41.527 42.059 0.102 0.000 0.891 300 L HN 0.306 nan 8.230 nan 0.000 0.433 301 E N 0.729 120.976 120.200 0.079 0.000 2.172 301 E HA -0.292 4.062 4.350 0.008 0.000 0.213 301 E C 1.597 178.227 176.600 0.049 0.000 1.051 301 E CA 1.803 58.240 56.400 0.062 0.000 0.860 301 E CB -0.206 29.526 29.700 0.054 0.000 0.755 301 E HN 0.554 nan 8.360 nan 0.000 0.462 302 E N -0.761 119.463 120.200 0.042 0.000 2.359 302 E HA 0.180 4.535 4.350 0.008 0.000 0.187 302 E C 0.768 177.385 176.600 0.029 0.000 1.081 302 E CA 0.285 56.700 56.400 0.025 0.000 0.929 302 E CB -0.014 29.687 29.700 0.002 0.000 1.086 302 E HN 0.353 nan 8.360 nan 0.000 0.462 303 G N 2.135 110.965 108.800 0.050 0.000 2.337 303 G HA2 -0.382 3.582 3.960 0.008 0.000 0.290 303 G HA3 -0.382 3.582 3.960 0.008 0.000 0.290 303 G C 0.909 175.836 174.900 0.046 0.000 1.003 303 G CA 0.694 45.826 45.100 0.053 0.000 0.825 303 G HN 0.348 nan 8.290 nan 0.000 0.509 304 R N -1.275 119.257 120.500 0.053 0.000 2.246 304 R HA 0.168 4.512 4.340 0.008 0.000 0.199 304 R C 1.006 177.384 176.300 0.129 0.000 0.984 304 R CA 0.364 56.490 56.100 0.044 0.000 1.015 304 R CB 0.449 30.734 30.300 -0.025 0.000 0.930 304 R HN 0.351 nan 8.270 nan 0.000 0.475 305 V N 2.088 122.112 119.914 0.183 0.000 2.508 305 V HA 0.084 4.209 4.120 0.008 0.000 0.281 305 V C 1.217 177.381 176.094 0.116 0.000 1.041 305 V CA 0.195 62.626 62.300 0.218 0.000 1.016 305 V CB 1.341 33.280 31.823 0.193 0.000 0.984 305 V HN 0.244 nan 8.190 nan 0.000 0.478 306 R N 2.698 123.253 120.500 0.091 0.000 2.072 306 R HA 0.286 4.630 4.340 0.008 0.000 0.214 306 R C -0.023 176.369 176.300 0.153 0.000 1.168 306 R CA 0.471 56.614 56.100 0.072 0.000 1.020 306 R CB 0.495 30.763 30.300 -0.052 0.000 0.914 306 R HN 0.725 nan 8.270 nan 0.000 0.449 307 E N 0.287 120.629 120.200 0.236 0.000 2.331 307 E HA 0.395 4.750 4.350 0.008 0.000 0.275 307 E C -1.618 175.138 176.600 0.260 0.000 0.895 307 E CA -0.553 56.018 56.400 0.284 0.000 0.753 307 E CB 3.346 33.282 29.700 0.394 0.000 1.216 307 E HN -0.184 nan 8.360 nan 0.000 0.434 308 V N 3.020 123.063 119.914 0.215 0.000 2.656 308 V HA 0.673 4.797 4.120 0.008 0.000 0.307 308 V C -1.066 175.160 176.094 0.219 0.000 1.051 308 V CA -0.758 61.581 62.300 0.064 0.000 0.893 308 V CB 0.837 32.639 31.823 -0.035 0.000 0.999 308 V HN 0.653 nan 8.190 nan 0.000 0.426 309 F N 1.422 121.407 119.950 0.058 0.000 2.713 309 F HA 0.937 5.468 4.527 0.007 0.000 0.311 309 F C 0.074 175.925 175.800 0.085 0.000 1.141 309 F CA -0.945 57.087 58.000 0.053 0.000 0.939 309 F CB 1.284 40.304 39.000 0.033 0.000 1.325 309 F HN 0.653 nan 8.300 nan 0.000 0.453 310 G N -0.022 108.918 108.800 0.234 0.000 2.461 310 G HA2 0.605 4.569 3.960 0.008 0.000 0.329 310 G HA3 0.605 4.569 3.960 0.008 0.000 0.329 310 G C -1.446 173.581 174.900 0.211 0.000 1.170 310 G CA -0.604 44.589 45.100 0.155 0.000 0.935 310 G HN 1.170 nan 8.290 nan 0.000 0.492 311 S N -0.938 114.864 115.700 0.170 0.000 2.547 311 S HA 0.912 5.387 4.470 0.008 0.000 0.281 311 S C -0.294 174.336 174.600 0.051 0.000 1.118 311 S CA -0.155 58.104 58.200 0.100 0.000 0.947 311 S CB 2.026 65.305 63.200 0.132 0.000 1.053 311 S HN 1.969 nan 8.310 nan 0.000 0.482 312 G N 0.593 109.390 108.800 -0.004 0.000 2.489 312 G HA2 0.439 4.404 3.960 0.008 0.000 0.291 312 G HA3 0.439 4.404 3.960 0.008 0.000 0.291 312 G C 0.119 175.022 174.900 0.005 0.000 1.487 312 G CA -0.199 44.908 45.100 0.012 0.000 0.795 312 G HN 0.557 nan 8.290 nan 0.000 0.513 313 T N 1.005 115.599 114.554 0.067 0.000 2.720 313 T HA -0.092 4.262 4.350 0.008 0.000 0.268 313 T C 2.756 177.522 174.700 0.109 0.000 1.037 313 T CA 2.808 64.981 62.100 0.122 0.000 1.144 313 T CB -0.312 68.693 68.868 0.229 0.000 0.864 313 T HN 0.959 nan 8.240 nan 0.000 0.444 314 A N -0.318 122.526 122.820 0.041 0.000 1.873 314 A HA 0.006 4.331 4.320 0.008 0.000 0.215 314 A C 1.734 179.271 177.584 -0.077 0.000 1.186 314 A CA 0.983 52.991 52.037 -0.049 0.000 0.616 314 A CB -0.553 18.281 19.000 -0.277 0.000 0.823 314 A HN 0.575 nan 8.150 nan 0.000 0.442 315 C N 0.669 119.832 119.300 -0.228 0.000 2.653 315 C HA 0.413 4.878 4.460 0.008 0.000 0.291 315 C C 1.477 176.306 174.990 -0.269 0.000 1.064 315 C CA -0.910 57.812 59.018 -0.494 0.000 1.469 315 C CB -0.641 26.435 27.740 -1.107 0.000 1.861 315 C HN 0.631 nan 8.230 nan 0.000 0.434 316 Q N 2.048 121.749 119.800 -0.165 0.000 2.028 316 Q HA -0.168 4.177 4.340 0.008 0.000 0.213 316 Q C 0.436 176.351 176.000 -0.142 0.000 1.017 316 Q CA 1.631 57.352 55.803 -0.136 0.000 0.875 316 Q CB -0.159 28.504 28.738 -0.125 0.000 0.962 316 Q HN 0.671 nan 8.270 nan 0.000 0.413 317 V N 0.060 119.886 119.914 -0.147 0.000 2.447 317 V HA 0.194 4.318 4.120 0.008 0.000 0.292 317 V C -0.840 175.195 176.094 -0.099 0.000 1.021 317 V CA -0.846 61.377 62.300 -0.129 0.000 0.850 317 V CB 1.794 33.477 31.823 -0.233 0.000 1.005 317 V HN 0.302 nan 8.190 nan 0.000 0.426 318 C N 8.329 127.625 119.300 -0.006 0.000 2.258 318 C HA 0.608 5.073 4.460 0.008 0.000 0.321 318 C C -2.332 172.736 174.990 0.129 0.000 1.168 318 C CA -1.927 57.090 59.018 -0.001 0.000 1.531 318 C CB 0.731 28.425 27.740 -0.076 0.000 2.095 318 C HN 0.713 nan 8.230 nan 0.000 0.449 319 P HA 0.168 nan 4.420 nan 0.000 0.266 319 P C -0.857 176.547 177.300 0.173 0.000 1.195 319 P CA 0.207 63.403 63.100 0.160 0.000 0.768 319 P CB 0.498 32.265 31.700 0.111 0.000 0.838 320 V N 3.928 123.942 119.914 0.166 0.000 2.448 320 V HA 0.223 4.348 4.120 0.008 0.000 0.295 320 V C 1.132 177.288 176.094 0.104 0.000 1.025 320 V CA -0.213 62.156 62.300 0.116 0.000 0.859 320 V CB 1.221 33.069 31.823 0.042 0.000 0.988 320 V HN 0.773 nan 8.190 nan 0.000 0.431 321 H N 3.881 122.953 119.070 0.004 0.000 2.874 321 H HA 0.391 4.951 4.556 0.007 0.000 0.264 321 H C 0.502 175.786 175.328 -0.073 0.000 1.007 321 H CA -0.382 55.637 56.048 -0.047 0.000 1.207 321 H CB 1.004 30.777 29.762 0.020 0.000 1.487 321 H HN 0.523 nan 8.280 nan 0.000 0.505 322 R N 0.508 120.637 120.500 -0.618 0.000 2.626 322 R HA 0.584 4.928 4.340 0.008 0.000 0.274 322 R C -1.934 174.226 176.300 -0.234 0.000 1.031 322 R CA -0.594 55.264 56.100 -0.403 0.000 0.898 322 R CB 2.116 32.117 30.300 -0.499 0.000 1.222 322 R HN 0.125 nan 8.270 nan 0.000 0.455 323 I N 4.746 125.246 120.570 -0.115 0.000 2.512 323 I HA 0.245 4.420 4.170 0.008 0.000 0.287 323 I C -1.160 174.959 176.117 0.002 0.000 1.069 323 I CA -1.039 60.223 61.300 -0.063 0.000 1.056 323 I CB 2.033 39.998 38.000 -0.058 0.000 1.229 323 I HN 0.418 nan 8.210 nan 0.000 0.429 324 L N 8.198 129.429 121.223 0.013 0.000 2.259 324 L HA 0.296 4.641 4.340 0.008 0.000 0.288 324 L C -1.237 175.705 176.870 0.120 0.000 1.051 324 L CA -0.027 54.844 54.840 0.052 0.000 0.824 324 L CB 0.145 42.218 42.059 0.023 0.000 1.206 324 L HN 0.492 nan 8.230 nan 0.000 0.429 325 Y N 6.973 127.262 120.300 -0.019 0.000 2.593 325 Y HA 0.282 4.836 4.550 0.008 0.000 0.331 325 Y C 0.928 176.820 175.900 -0.012 0.000 0.986 325 Y CA -0.394 57.693 58.100 -0.021 0.000 1.262 325 Y CB 0.144 38.600 38.460 -0.006 0.000 1.098 325 Y HN 0.868 nan 8.280 nan 0.000 0.506 326 K N 1.849 122.165 120.400 -0.139 0.000 9.075 326 K HA -0.335 3.990 4.320 0.008 0.000 0.427 326 K C -0.042 176.497 176.600 -0.101 0.000 0.528 326 K CA 2.191 58.362 56.287 -0.193 0.000 1.510 326 K CB -1.012 31.265 32.500 -0.371 0.000 0.798 326 K HN 0.587 nan 8.250 nan 0.000 1.089 327 D N -0.981 119.354 120.400 -0.109 0.000 2.999 327 D HA 0.092 4.737 4.640 0.008 0.000 0.273 327 D C 1.611 177.904 176.300 -0.011 0.000 1.485 327 D CA 0.874 54.845 54.000 -0.048 0.000 1.101 327 D CB -0.264 40.507 40.800 -0.048 0.000 1.109 327 D HN 0.326 nan 8.370 nan 0.000 0.368 328 R N 0.496 120.994 120.500 -0.003 0.000 2.153 328 R HA -0.175 4.170 4.340 0.008 0.000 0.252 328 R C -0.450 175.876 176.300 0.043 0.000 1.158 328 R CA 1.462 57.576 56.100 0.024 0.000 0.975 328 R CB -0.001 30.318 30.300 0.032 0.000 0.871 328 R HN 0.216 nan 8.270 nan 0.000 0.450 329 N N -0.897 117.838 118.700 0.058 0.000 4.184 329 N HA -0.114 4.630 4.740 0.008 0.000 0.303 329 N C -1.736 173.821 175.510 0.079 0.000 2.210 329 N CA 0.505 53.591 53.050 0.060 0.000 2.758 329 N CB -0.484 38.035 38.487 0.054 0.000 0.359 329 N HN 0.140 nan 8.380 nan 0.000 0.564 330 L N 2.898 124.165 121.223 0.074 0.000 2.272 330 L HA 0.343 4.688 4.340 0.008 0.000 0.289 330 L C 0.722 177.635 176.870 0.071 0.000 1.032 330 L CA -0.836 54.052 54.840 0.080 0.000 0.810 330 L CB 1.130 43.227 42.059 0.063 0.000 1.205 330 L HN 0.518 nan 8.230 nan 0.000 0.422 331 H N 4.557 123.649 119.070 0.037 0.000 2.646 331 H HA 0.364 4.925 4.556 0.008 0.000 0.325 331 H C -0.679 174.679 175.328 0.050 0.000 1.075 331 H CA -0.334 55.741 56.048 0.045 0.000 1.421 331 H CB 0.744 30.544 29.762 0.063 0.000 1.461 331 H HN 0.307 nan 8.280 nan 0.000 0.525 332 I N 8.105 128.333 120.570 -0.569 0.000 2.330 332 I HA 0.179 4.354 4.170 0.008 0.000 0.289 332 I C -1.886 173.921 176.117 -0.517 0.000 1.001 332 I CA -2.930 58.149 61.300 -0.367 0.000 1.193 332 I CB 1.197 39.092 38.000 -0.176 0.000 1.345 332 I HN 0.663 nan 8.210 nan 0.000 0.461 333 P HA -0.040 nan 4.420 nan 0.000 0.242 333 P C 1.332 178.660 177.300 0.046 0.000 1.198 333 P CA 0.732 63.826 63.100 -0.011 0.000 0.756 333 P CB 0.020 31.771 31.700 0.086 0.000 0.911 334 T N -0.088 114.482 114.554 0.028 0.000 2.565 334 T HA -0.234 4.120 4.350 0.008 0.000 0.265 334 T C 1.690 176.447 174.700 0.095 0.000 1.082 334 T CA 1.575 63.729 62.100 0.091 0.000 1.173 334 T CB -0.607 68.328 68.868 0.111 0.000 0.864 334 T HN 0.088 nan 8.240 nan 0.000 0.425 335 M N 1.720 121.377 119.600 0.095 0.000 2.213 335 M HA -0.058 4.426 4.480 0.008 0.000 0.263 335 M C 2.194 178.544 176.300 0.083 0.000 1.062 335 M CA 1.220 56.570 55.300 0.083 0.000 1.105 335 M CB -1.123 31.524 32.600 0.078 0.000 1.385 335 M HN 0.494 nan 8.290 nan 0.000 0.417 336 E N -1.049 119.215 120.200 0.107 0.000 2.482 336 E HA -0.047 4.307 4.350 0.008 0.000 0.196 336 E C 0.438 177.083 176.600 0.076 0.000 1.047 336 E CA 0.440 56.896 56.400 0.093 0.000 0.869 336 E CB -0.564 29.206 29.700 0.117 0.000 0.836 336 E HN 0.530 nan 8.360 nan 0.000 0.520 337 N N 1.212 119.959 118.700 0.079 0.000 2.273 337 N HA 0.122 4.867 4.740 0.008 0.000 0.231 337 N C 0.024 175.574 175.510 0.067 0.000 1.134 337 N CA 0.636 53.731 53.050 0.074 0.000 0.856 337 N CB 1.019 39.560 38.487 0.090 0.000 1.068 337 N HN 0.246 nan 8.380 nan 0.000 0.510 338 G N 2.727 111.559 108.800 0.053 0.000 3.265 338 G HA2 -0.191 3.774 3.960 0.008 0.000 0.488 338 G HA3 -0.191 3.774 3.960 0.008 0.000 0.488 338 G C -2.830 172.091 174.900 0.034 0.000 0.742 338 G CA -0.922 44.199 45.100 0.034 0.000 0.841 338 G HN 0.044 nan 8.290 nan 0.000 0.457 339 P HA 0.137 nan 4.420 nan 0.000 0.259 339 P C 0.884 178.168 177.300 -0.027 0.000 1.635 339 P CA 0.146 63.252 63.100 0.010 0.000 1.199 339 P CB 0.754 32.447 31.700 -0.012 0.000 1.850 340 E N 2.192 122.392 120.200 -0.000 0.000 2.038 340 E HA -0.217 4.138 4.350 0.008 0.000 0.195 340 E C 1.450 177.984 176.600 -0.111 0.000 1.000 340 E CA 1.061 57.444 56.400 -0.029 0.000 0.803 340 E CB -0.234 29.480 29.700 0.024 0.000 0.750 340 E HN 0.218 nan 8.360 nan 0.000 0.448 341 L N 0.870 121.996 121.223 -0.161 0.000 2.056 341 L HA -0.074 4.271 4.340 0.008 0.000 0.207 341 L C 2.158 178.798 176.870 -0.383 0.000 1.078 341 L CA 1.423 56.032 54.840 -0.386 0.000 0.749 341 L CB -0.395 41.258 42.059 -0.677 0.000 0.901 341 L HN 0.269 nan 8.230 nan 0.000 0.433 342 I N -0.852 119.523 120.570 -0.324 0.000 2.151 342 I HA -0.373 3.801 4.170 0.008 0.000 0.243 342 I C 2.413 178.447 176.117 -0.139 0.000 1.080 342 I CA 1.663 62.765 61.300 -0.330 0.000 1.339 342 I CB -0.336 37.475 38.000 -0.315 0.000 1.039 342 I HN 0.277 nan 8.210 nan 0.000 0.409 343 L N 0.067 121.225 121.223 -0.109 0.000 2.012 343 L HA -0.249 4.096 4.340 0.008 0.000 0.210 343 L C 2.751 179.593 176.870 -0.047 0.000 1.073 343 L CA 1.527 56.330 54.840 -0.061 0.000 0.748 343 L CB -0.575 41.453 42.059 -0.053 0.000 0.891 343 L HN 0.234 nan 8.230 nan 0.000 0.431 344 R N 0.016 120.456 120.500 -0.100 0.000 2.081 344 R HA -0.183 4.161 4.340 0.008 0.000 0.235 344 R C 2.259 178.609 176.300 0.083 0.000 1.131 344 R CA 1.656 57.699 56.100 -0.096 0.000 0.960 344 R CB -0.545 29.594 30.300 -0.269 0.000 0.856 344 R HN 0.167 nan 8.270 nan 0.000 0.436 345 F N 0.889 120.884 119.950 0.075 0.000 2.102 345 F HA -0.229 4.303 4.527 0.007 0.000 0.298 345 F C 2.689 178.484 175.800 -0.008 0.000 1.105 345 F CA 1.439 59.473 58.000 0.057 0.000 1.239 345 F CB -0.192 38.733 39.000 -0.124 0.000 0.991 345 F HN 0.176 nan 8.300 nan 0.000 0.474 346 Q N 0.267 120.157 119.800 0.149 0.000 2.096 346 Q HA -0.279 4.065 4.340 0.008 0.000 0.204 346 Q C 2.159 178.196 176.000 0.061 0.000 0.982 346 Q CA 1.785 57.620 55.803 0.054 0.000 0.850 346 Q CB -0.296 28.448 28.738 0.010 0.000 0.901 346 Q HN 0.362 nan 8.270 nan 0.000 0.422 347 K N 0.947 121.383 120.400 0.061 0.000 2.009 347 K HA -0.220 4.105 4.320 0.008 0.000 0.210 347 K C 1.872 178.520 176.600 0.081 0.000 1.049 347 K CA 1.565 57.883 56.287 0.051 0.000 0.929 347 K CB 0.063 32.579 32.500 0.027 0.000 0.714 347 K HN 0.179 nan 8.250 nan 0.000 0.440 348 E N 0.595 120.876 120.200 0.136 0.000 2.077 348 E HA -0.198 4.157 4.350 0.008 0.000 0.193 348 E C 2.209 178.881 176.600 0.119 0.000 0.989 348 E CA 1.196 57.695 56.400 0.165 0.000 0.800 348 E CB -0.115 29.764 29.700 0.298 0.000 0.746 348 E HN 0.382 nan 8.360 nan 0.000 0.452 349 L N 0.980 122.257 121.223 0.090 0.000 2.056 349 L HA -0.177 4.168 4.340 0.008 0.000 0.207 349 L C 2.746 179.565 176.870 -0.085 0.000 1.078 349 L CA 1.173 55.996 54.840 -0.028 0.000 0.749 349 L CB -0.395 41.585 42.059 -0.131 0.000 0.901 349 L HN 0.081 nan 8.230 nan 0.000 0.433 350 K N 0.716 121.122 120.400 0.010 0.000 2.026 350 K HA -0.218 4.107 4.320 0.008 0.000 0.208 350 K C 1.867 178.555 176.600 0.148 0.000 1.048 350 K CA 1.663 58.028 56.287 0.130 0.000 0.929 350 K CB -0.034 32.540 32.500 0.125 0.000 0.713 350 K HN 0.311 nan 8.250 nan 0.000 0.439 351 E N 0.466 120.721 120.200 0.092 0.000 2.085 351 E HA -0.201 4.154 4.350 0.008 0.000 0.194 351 E C 2.094 178.743 176.600 0.082 0.000 0.994 351 E CA 1.603 58.058 56.400 0.091 0.000 0.801 351 E CB -0.127 29.619 29.700 0.076 0.000 0.743 351 E HN 0.400 nan 8.360 nan 0.000 0.453 352 I N 0.815 121.415 120.570 0.051 0.000 2.233 352 I HA -0.260 3.915 4.170 0.008 0.000 0.243 352 I C 2.397 178.513 176.117 -0.002 0.000 1.093 352 I CA 1.129 62.460 61.300 0.053 0.000 1.380 352 I CB -0.162 37.863 38.000 0.042 0.000 1.067 352 I HN 0.063 nan 8.210 nan 0.000 0.413 353 Q N -0.318 119.357 119.800 -0.208 0.000 2.172 353 Q HA -0.145 4.200 4.340 0.008 0.000 0.200 353 Q C 1.093 176.766 176.000 -0.546 0.000 0.964 353 Q CA 1.328 56.775 55.803 -0.593 0.000 0.855 353 Q CB 0.010 27.846 28.738 -1.503 0.000 0.918 353 Q HN 0.550 nan 8.270 nan 0.000 0.444 354 Y N -0.594 119.626 120.300 -0.133 0.000 2.532 354 Y HA 0.240 4.794 4.550 0.008 0.000 0.283 354 Y C 1.294 177.218 175.900 0.039 0.000 1.181 354 Y CA 0.181 58.280 58.100 -0.003 0.000 1.256 354 Y CB 0.572 39.039 38.460 0.012 0.000 1.112 354 Y HN 0.182 nan 8.280 nan 0.000 0.521 355 G N 0.150 109.023 108.800 0.122 0.000 2.166 355 G HA2 -0.326 3.639 3.960 0.008 0.000 0.260 355 G HA3 -0.326 3.639 3.960 0.008 0.000 0.260 355 G C 0.959 175.925 174.900 0.109 0.000 0.986 355 G CA 0.719 45.889 45.100 0.117 0.000 0.683 355 G HN 0.349 nan 8.290 nan 0.000 0.527 356 I N -0.409 120.230 120.570 0.115 0.000 2.315 356 I HA 0.049 4.224 4.170 0.008 0.000 0.248 356 I C 1.623 177.786 176.117 0.077 0.000 1.117 356 I CA 1.318 62.671 61.300 0.088 0.000 1.404 356 I CB -0.560 37.489 38.000 0.082 0.000 1.071 356 I HN 0.334 nan 8.210 nan 0.000 0.419 357 R N 0.963 121.518 120.500 0.090 0.000 2.439 357 R HA 0.582 4.927 4.340 0.008 0.000 0.310 357 R C -0.438 175.934 176.300 0.120 0.000 0.955 357 R CA -0.371 55.785 56.100 0.094 0.000 0.853 357 R CB 1.540 31.903 30.300 0.105 0.000 1.171 357 R HN 0.148 nan 8.270 nan 0.000 0.449 358 A N 3.559 126.435 122.820 0.094 0.000 2.511 358 A HA 0.157 4.482 4.320 0.008 0.000 0.242 358 A C -0.660 177.006 177.584 0.138 0.000 1.069 358 A CA 0.546 52.641 52.037 0.097 0.000 0.763 358 A CB 0.221 19.249 19.000 0.046 0.000 1.001 358 A HN 0.794 nan 8.150 nan 0.000 0.498 359 H N 0.877 119.976 119.070 0.049 0.000 3.094 359 H HA 0.169 4.729 4.556 0.007 0.000 0.346 359 H C 0.401 175.780 175.328 0.086 0.000 1.238 359 H CA 0.087 56.150 56.048 0.026 0.000 1.209 359 H CB 1.525 31.304 29.762 0.028 0.000 1.911 359 H HN 0.820 nan 8.280 nan 0.000 0.540 360 E N 1.973 122.196 120.200 0.039 0.000 2.268 360 E HA -0.107 4.248 4.350 0.008 0.000 0.195 360 E C 1.078 177.967 176.600 0.482 0.000 0.995 360 E CA 0.735 57.236 56.400 0.168 0.000 0.836 360 E CB 0.085 29.771 29.700 -0.024 0.000 0.763 360 E HN 0.441 nan 8.360 nan 0.000 0.491 361 W N 0.892 122.487 121.300 0.492 0.000 2.421 361 W HA 0.056 4.720 4.660 0.006 0.000 0.270 361 W C 0.318 177.020 176.519 0.305 0.000 1.233 361 W CA 0.271 57.782 57.345 0.277 0.000 1.226 361 W CB -0.376 29.087 29.460 0.005 0.000 1.121 361 W HN 0.128 nan 8.180 nan 0.000 0.579 362 M N -0.182 119.748 119.600 0.551 0.000 2.233 362 M HA 0.169 4.653 4.480 0.008 0.000 0.355 362 M C -0.771 175.804 176.300 0.460 0.000 1.191 362 M CA -1.218 54.330 55.300 0.415 0.000 1.101 362 M CB 0.126 32.913 32.600 0.313 0.000 1.592 362 M HN -0.186 nan 8.290 nan 0.000 0.461 363 F N 5.456 125.491 119.950 0.142 0.000 2.426 363 F HA 0.566 5.097 4.527 0.007 0.000 0.348 363 F C -2.298 173.541 175.800 0.065 0.000 1.124 363 F CA -2.325 55.724 58.000 0.081 0.000 1.008 363 F CB 1.417 40.245 39.000 -0.285 0.000 1.139 363 F HN 0.354 nan 8.300 nan 0.000 0.452 364 P HA 0.162 nan 4.420 nan 0.000 0.267 364 P C -0.578 176.540 177.300 -0.303 0.000 1.205 364 P CA 0.580 63.516 63.100 -0.274 0.000 0.765 364 P CB 0.651 32.209 31.700 -0.236 0.000 0.828 365 V N 0.000 119.863 119.914 -0.085 0.000 2.409 365 V HA 0.000 4.125 4.120 0.008 0.000 0.244 365 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 365 V CB 0.000 31.804 31.823 -0.032 0.000 1.184 365 V HN 0.000 nan 8.190 nan 0.000 0.556