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 3mga_1_A DATA FIRST_RESID 7 DATA SEQUENCE TGSEAWWRTK TGPEWIREKD GNYRVTFWWR DPQGNETHSP IRRVWVYITG DATA SEQUENCE VTDHHQNAQP QTXARIAGTD VWRWSTALSA NWRGSYCFIP TERDDVFAAF DATA SEQUENCE APGETPDRNV LREGWRQLLP QAIADPLNSQ SWRGGRGHAV SALEXPDAPL DATA SEQUENCE QPGWDRPETP YSPPLXXQWH SERLGNSRRV WILTTGDEAP EERPLAILLD DATA SEQUENCE GQFWAENXPV WPALASLTHQ RLLPGAVYLL IDAIDTQHRS QELPCNADFW DATA SEQUENCE LAVQQELLPQ VRAVTPFSDD AGRTVVAGQS FGGLSALYAG LNWPTRFGCV DATA SEQUENCE LSQSGSFWWP HRITPPEGEV ITRLKTGALC ARGLRIVLEA GVREPIVFQA DATA SEQUENCE NQALYAQLNT SQQSIFWRQV DGGHDALCWR GGLTQGLXLL WQPLIDT 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.106 174.700 -0.990 0.000 1.109 7 T CA 0.000 61.332 62.100 -1.279 0.000 1.349 7 T CB 0.000 68.245 68.868 -1.038 0.000 0.612 8 G N 1.896 109.885 108.800 -1.351 0.000 2.184 8 G HA2 -0.268 3.688 3.960 -0.006 0.000 0.264 8 G HA3 -0.268 3.688 3.960 -0.006 0.000 0.264 8 G C 0.346 175.174 174.900 -0.120 0.000 0.975 8 G CA 0.692 45.438 45.100 -0.590 0.000 0.642 8 G HN 1.614 nan 8.290 nan 0.000 0.536 9 S N -0.575 115.062 115.700 -0.105 0.000 2.669 9 S HA 0.636 5.102 4.470 -0.006 0.000 0.270 9 S C 1.101 175.854 174.600 0.254 0.000 1.225 9 S CA 0.552 58.800 58.200 0.079 0.000 0.991 9 S CB 2.025 65.243 63.200 0.031 0.000 0.987 9 S HN 0.354 nan 8.310 nan 0.000 0.552 10 E N 1.279 121.611 120.200 0.220 0.000 2.051 10 E HA -0.095 4.252 4.350 -0.006 0.000 0.192 10 E C 2.041 178.763 176.600 0.203 0.000 0.991 10 E CA 1.887 58.431 56.400 0.239 0.000 0.799 10 E CB -0.940 28.837 29.700 0.129 0.000 0.748 10 E HN 0.800 nan 8.360 nan 0.000 0.449 11 A N -0.508 122.392 122.820 0.132 0.000 2.015 11 A HA -0.127 4.189 4.320 -0.006 0.000 0.219 11 A C 2.073 179.700 177.584 0.073 0.000 1.163 11 A CA 1.325 53.412 52.037 0.083 0.000 0.646 11 A CB -1.126 17.906 19.000 0.055 0.000 0.806 11 A HN 0.621 nan 8.150 nan 0.000 0.448 12 W N -0.903 120.326 121.300 -0.120 0.000 2.418 12 W HA -0.093 4.562 4.660 -0.008 0.000 0.292 12 W C 1.726 178.062 176.519 -0.306 0.000 1.213 12 W CA 1.373 58.558 57.345 -0.268 0.000 1.283 12 W CB -0.337 28.882 29.460 -0.403 0.000 1.119 12 W HN 0.429 nan 8.180 nan 0.000 0.542 13 W N 0.669 121.991 121.300 0.036 0.000 2.425 13 W HA -0.118 4.539 4.660 -0.006 0.000 0.277 13 W C 2.397 178.790 176.519 -0.211 0.000 1.231 13 W CA 0.608 57.872 57.345 -0.135 0.000 1.248 13 W CB -0.346 29.132 29.460 0.029 0.000 1.117 13 W HN -0.345 nan 8.180 nan 0.000 0.568 14 R N -0.128 120.403 120.500 0.053 0.000 2.120 14 R HA -0.116 4.220 4.340 -0.006 0.000 0.234 14 R C 2.034 178.273 176.300 -0.102 0.000 1.123 14 R CA 1.891 57.987 56.100 -0.006 0.000 0.975 14 R CB -1.682 28.618 30.300 -0.000 0.000 0.866 14 R HN 0.319 nan 8.270 nan 0.000 0.446 15 T N -1.867 112.543 114.554 -0.240 0.000 3.055 15 T HA 0.043 4.390 4.350 -0.006 0.000 0.265 15 T C 0.639 175.144 174.700 -0.325 0.000 1.111 15 T CA 0.316 62.238 62.100 -0.298 0.000 1.118 15 T CB 0.118 68.740 68.868 -0.410 0.000 0.909 15 T HN -0.193 nan 8.240 nan 0.000 0.501 16 K N 2.037 122.224 120.400 -0.354 0.000 2.276 16 K HA 0.469 4.785 4.320 -0.006 0.000 0.285 16 K C 0.524 177.108 176.600 -0.027 0.000 1.062 16 K CA -0.144 55.992 56.287 -0.252 0.000 0.918 16 K CB 1.185 33.473 32.500 -0.353 0.000 1.055 16 K HN 0.018 nan 8.250 nan 0.000 0.477 17 T N 0.670 115.231 114.554 0.012 0.000 3.085 17 T HA 0.378 4.724 4.350 -0.006 0.000 0.264 17 T C 0.382 175.178 174.700 0.160 0.000 1.019 17 T CA 0.101 62.246 62.100 0.075 0.000 0.910 17 T CB 0.375 69.267 68.868 0.039 0.000 1.059 17 T HN 0.776 nan 8.240 nan 0.000 0.542 18 G N 2.000 110.935 108.800 0.225 0.000 2.278 18 G HA2 0.163 4.120 3.960 -0.006 0.000 0.265 18 G HA3 0.163 4.120 3.960 -0.006 0.000 0.265 18 G C -3.104 171.986 174.900 0.316 0.000 1.329 18 G CA -1.239 44.057 45.100 0.326 0.000 1.017 18 G HN -0.018 nan 8.290 nan 0.000 0.472 19 P HA 0.368 nan 4.420 nan 0.000 0.268 19 P C -0.457 176.888 177.300 0.074 0.000 1.205 19 P CA 0.427 63.497 63.100 -0.049 0.000 0.771 19 P CB 0.637 32.055 31.700 -0.470 0.000 0.858 20 E N 1.401 121.616 120.200 0.026 0.000 2.227 20 E HA 0.536 4.882 4.350 -0.006 0.000 0.268 20 E C -1.014 175.624 176.600 0.063 0.000 0.907 20 E CA -0.656 55.708 56.400 -0.060 0.000 0.786 20 E CB 1.328 31.043 29.700 0.025 0.000 1.191 20 E HN 0.454 nan 8.360 nan 0.000 0.411 21 W N 1.864 123.175 121.300 0.018 0.000 2.950 21 W HA 0.702 5.357 4.660 -0.009 0.000 0.340 21 W C -1.596 175.008 176.519 0.142 0.000 1.139 21 W CA -0.900 56.485 57.345 0.065 0.000 1.188 21 W CB 0.789 30.271 29.460 0.036 0.000 1.426 21 W HN 0.145 nan 8.180 nan 0.000 0.531 22 I N 3.609 124.420 120.570 0.402 0.000 2.478 22 I HA 0.288 4.454 4.170 -0.006 0.000 0.287 22 I C -0.172 176.056 176.117 0.184 0.000 1.042 22 I CA -1.263 60.182 61.300 0.242 0.000 1.067 22 I CB 1.521 39.575 38.000 0.090 0.000 1.233 22 I HN 0.600 nan 8.210 nan 0.000 0.431 23 R N 5.493 126.032 120.500 0.064 0.000 2.370 23 R HA 0.253 4.590 4.340 -0.006 0.000 0.309 23 R C -0.136 176.023 176.300 -0.235 0.000 1.059 23 R CA 0.141 56.003 56.100 -0.396 0.000 0.981 23 R CB 0.438 30.612 30.300 -0.210 0.000 0.972 23 R HN 0.646 nan 8.270 nan 0.000 0.437 24 E N 2.279 122.308 120.200 -0.286 0.000 2.254 24 E HA 0.117 4.463 4.350 -0.006 0.000 0.258 24 E C 0.627 177.147 176.600 -0.133 0.000 1.033 24 E CA -0.668 55.640 56.400 -0.153 0.000 0.893 24 E CB 1.379 31.007 29.700 -0.119 0.000 1.204 24 E HN 0.415 nan 8.360 nan 0.000 0.425 25 K N 1.059 121.409 120.400 -0.084 0.000 2.044 25 K HA -0.228 4.088 4.320 -0.006 0.000 0.210 25 K C 1.411 177.973 176.600 -0.064 0.000 1.049 25 K CA 2.301 58.551 56.287 -0.063 0.000 0.927 25 K CB -0.133 32.341 32.500 -0.044 0.000 0.713 25 K HN 0.522 nan 8.250 nan 0.000 0.443 26 D N -1.566 118.794 120.400 -0.067 0.000 2.218 26 D HA -0.098 4.538 4.640 -0.006 0.000 0.204 26 D C 1.311 177.573 176.300 -0.063 0.000 0.976 26 D CA 1.514 55.481 54.000 -0.055 0.000 0.853 26 D CB -0.188 40.583 40.800 -0.049 0.000 0.939 26 D HN 0.535 nan 8.370 nan 0.000 0.481 27 G N -0.606 108.128 108.800 -0.108 0.000 2.211 27 G HA2 -0.217 3.739 3.960 -0.006 0.000 0.201 27 G HA3 -0.217 3.739 3.960 -0.006 0.000 0.201 27 G C 0.209 175.005 174.900 -0.174 0.000 0.997 27 G CA -0.075 44.951 45.100 -0.123 0.000 0.652 27 G HN 0.366 nan 8.290 nan 0.000 0.500 28 N N -0.309 118.298 118.700 -0.156 0.000 2.405 28 N HA 0.669 5.405 4.740 -0.006 0.000 0.269 28 N C -0.862 174.495 175.510 -0.255 0.000 1.249 28 N CA 0.093 53.091 53.050 -0.087 0.000 0.974 28 N CB 0.414 38.884 38.487 -0.028 0.000 1.204 28 N HN 0.173 nan 8.380 nan 0.000 0.565 29 Y N -0.573 119.717 120.300 -0.016 0.000 2.409 29 Y HA 0.349 4.896 4.550 -0.005 0.000 0.343 29 Y C 0.241 176.134 175.900 -0.012 0.000 0.973 29 Y CA -0.926 57.183 58.100 0.015 0.000 1.064 29 Y CB 1.500 39.979 38.460 0.033 0.000 1.207 29 Y HN 0.287 nan 8.280 nan 0.000 0.452 30 R N 2.136 122.716 120.500 0.132 0.000 2.205 30 R HA 0.582 4.918 4.340 -0.006 0.000 0.342 30 R C -1.958 174.393 176.300 0.086 0.000 1.058 30 R CA -0.235 55.889 56.100 0.041 0.000 0.904 30 R CB -0.013 30.285 30.300 -0.003 0.000 1.089 30 R HN 0.514 nan 8.270 nan 0.000 0.471 31 V N 4.498 124.435 119.914 0.039 0.000 2.394 31 V HA 0.413 4.530 4.120 -0.006 0.000 0.282 31 V C -0.074 175.981 176.094 -0.065 0.000 1.031 31 V CA -0.559 61.758 62.300 0.029 0.000 0.881 31 V CB 1.855 33.690 31.823 0.021 0.000 0.982 31 V HN 0.804 nan 8.190 nan 0.000 0.451 32 T N 5.575 120.037 114.554 -0.153 0.000 2.797 32 T HA 0.649 4.995 4.350 -0.006 0.000 0.279 32 T C -0.634 173.805 174.700 -0.436 0.000 0.991 32 T CA -0.077 61.858 62.100 -0.275 0.000 0.979 32 T CB 0.684 69.318 68.868 -0.390 0.000 0.943 32 T HN 0.305 nan 8.240 nan 0.000 0.444 33 F N 1.653 121.421 119.950 -0.303 0.000 2.450 33 F HA 0.651 5.173 4.527 -0.008 0.000 0.332 33 F C -0.455 175.183 175.800 -0.270 0.000 1.093 33 F CA -0.901 57.043 58.000 -0.093 0.000 1.003 33 F CB 1.482 40.592 39.000 0.183 0.000 1.151 33 F HN 0.518 nan 8.300 nan 0.000 0.474 34 W N 2.113 123.706 121.300 0.489 0.000 2.785 34 W HA 0.453 5.112 4.660 -0.003 0.000 0.333 34 W C -1.575 175.275 176.519 0.552 0.000 1.062 34 W CA -0.927 56.725 57.345 0.512 0.000 1.233 34 W CB 1.483 31.252 29.460 0.515 0.000 1.413 34 W HN 0.446 nan 8.180 nan 0.000 0.489 35 W N 4.645 126.288 121.300 0.571 0.000 2.900 35 W HA 0.539 5.195 4.660 -0.007 0.000 0.336 35 W C -1.047 175.723 176.519 0.418 0.000 1.064 35 W CA -1.539 55.994 57.345 0.314 0.000 1.237 35 W CB 1.294 30.703 29.460 -0.085 0.000 1.391 35 W HN 0.283 nan 8.180 nan 0.000 0.468 36 R N 4.689 124.816 120.500 -0.623 0.000 2.207 36 R HA 0.135 4.471 4.340 -0.006 0.000 0.334 36 R C -0.406 175.147 176.300 -1.245 0.000 1.013 36 R CA -0.427 55.145 56.100 -0.880 0.000 0.858 36 R CB 0.658 30.033 30.300 -1.541 0.000 1.094 36 R HN 0.445 nan 8.270 nan 0.000 0.457 37 D N 5.929 125.888 120.400 -0.736 0.000 2.371 37 D HA 0.061 4.698 4.640 -0.006 0.000 0.256 37 D C -1.641 174.432 176.300 -0.377 0.000 1.193 37 D CA -2.005 51.582 54.000 -0.688 0.000 0.881 37 D CB 1.743 42.654 40.800 0.184 0.000 1.143 37 D HN 0.373 nan 8.370 nan 0.000 0.473 38 P HA -0.010 nan 4.420 nan 0.000 0.236 38 P C 0.418 177.682 177.300 -0.061 0.000 1.177 38 P CA 0.729 63.724 63.100 -0.175 0.000 0.773 38 P CB 0.280 31.911 31.700 -0.115 0.000 0.878 39 Q N -0.310 119.496 119.800 0.011 0.000 2.222 39 Q HA 0.370 4.706 4.340 -0.006 0.000 0.206 39 Q C 0.916 176.965 176.000 0.082 0.000 0.877 39 Q CA 0.151 55.992 55.803 0.062 0.000 0.958 39 Q CB 0.103 28.910 28.738 0.115 0.000 1.075 39 Q HN 0.156 nan 8.270 nan 0.000 0.483 40 G N 2.076 110.903 108.800 0.044 0.000 2.527 40 G HA2 -0.283 3.674 3.960 -0.006 0.000 0.227 40 G HA3 -0.283 3.674 3.960 -0.006 0.000 0.227 40 G C -0.338 174.640 174.900 0.131 0.000 1.291 40 G CA -0.263 44.864 45.100 0.046 0.000 0.904 40 G HN 0.476 nan 8.290 nan 0.000 0.577 41 N N 0.509 119.301 118.700 0.153 0.000 2.431 41 N HA 0.482 5.218 4.740 -0.006 0.000 0.289 41 N C 1.166 176.767 175.510 0.153 0.000 1.277 41 N CA 0.634 53.767 53.050 0.138 0.000 0.972 41 N CB -0.025 38.530 38.487 0.113 0.000 1.143 41 N HN 0.669 nan 8.380 nan 0.000 0.578 42 E N -0.762 119.482 120.200 0.074 0.000 2.035 42 E HA -0.256 4.091 4.350 -0.006 0.000 0.204 42 E C 1.773 178.404 176.600 0.051 0.000 1.025 42 E CA 3.055 59.486 56.400 0.053 0.000 0.835 42 E CB -1.230 28.469 29.700 -0.001 0.000 0.764 42 E HN 0.883 nan 8.360 nan 0.000 0.457 43 T N -1.934 112.621 114.554 0.001 0.000 2.849 43 T HA -0.189 4.157 4.350 -0.006 0.000 0.270 43 T C 1.433 176.016 174.700 -0.195 0.000 1.066 43 T CA 1.838 63.867 62.100 -0.119 0.000 1.130 43 T CB -0.367 68.369 68.868 -0.220 0.000 0.864 43 T HN 0.246 nan 8.240 nan 0.000 0.481 44 H N 0.824 119.921 119.070 0.045 0.000 2.355 44 H HA 0.428 4.981 4.556 -0.007 0.000 0.312 44 H C 1.381 176.752 175.328 0.071 0.000 1.051 44 H CA 0.762 56.840 56.048 0.050 0.000 1.389 44 H CB -0.170 29.618 29.762 0.043 0.000 1.455 44 H HN 0.322 nan 8.280 nan 0.000 0.575 45 S N 2.519 118.358 115.700 0.232 0.000 2.531 45 S HA 0.046 4.513 4.470 -0.006 0.000 0.279 45 S C -1.690 173.020 174.600 0.183 0.000 1.305 45 S CA -1.319 57.008 58.200 0.210 0.000 1.058 45 S CB 0.614 63.980 63.200 0.276 0.000 0.899 45 S HN 0.208 nan 8.310 nan 0.000 0.493 46 P HA 0.209 nan 4.420 nan 0.000 0.262 46 P C -0.166 177.215 177.300 0.134 0.000 1.304 46 P CA -0.228 62.945 63.100 0.121 0.000 0.859 46 P CB -0.057 31.696 31.700 0.089 0.000 1.310 47 I N 1.482 122.166 120.570 0.190 0.000 2.598 47 I HA 0.026 4.193 4.170 -0.006 0.000 0.284 47 I C 1.718 177.949 176.117 0.190 0.000 1.140 47 I CA 0.383 61.773 61.300 0.149 0.000 1.420 47 I CB 0.465 38.556 38.000 0.151 0.000 1.387 47 I HN -0.028 nan 8.210 nan 0.000 0.553 48 R N 5.138 125.675 120.500 0.062 0.000 2.123 48 R HA 0.217 4.553 4.340 -0.006 0.000 0.209 48 R C 0.437 176.713 176.300 -0.039 0.000 1.078 48 R CA 0.461 56.604 56.100 0.071 0.000 1.028 48 R CB 0.282 30.604 30.300 0.038 0.000 0.939 48 R HN 0.495 nan 8.270 nan 0.000 0.463 49 R N 0.146 120.485 120.500 -0.269 0.000 2.854 49 R HA 0.513 4.849 4.340 -0.006 0.000 0.271 49 R C -0.884 174.915 176.300 -0.836 0.000 0.994 49 R CA -0.931 54.797 56.100 -0.620 0.000 0.945 49 R CB 2.287 32.070 30.300 -0.860 0.000 1.194 49 R HN -0.197 nan 8.270 nan 0.000 0.476 50 V N 1.746 121.079 119.914 -0.969 0.000 2.658 50 V HA 0.219 4.335 4.120 -0.006 0.000 0.259 50 V C -1.056 174.674 176.094 -0.606 0.000 0.933 50 V CA -1.017 60.749 62.300 -0.891 0.000 0.871 50 V CB 0.482 31.637 31.823 -1.114 0.000 1.062 50 V HN 0.603 nan 8.190 nan 0.000 0.479 51 W N 2.121 123.297 121.300 -0.206 0.000 2.190 51 W HA 0.511 5.165 4.660 -0.009 0.000 0.330 51 W C 0.128 176.584 176.519 -0.104 0.000 1.299 51 W CA -0.482 56.819 57.345 -0.074 0.000 1.215 51 W CB 0.819 30.409 29.460 0.218 0.000 1.147 51 W HN 0.252 nan 8.180 nan 0.000 0.563 52 V N 4.420 124.311 119.914 -0.038 0.000 2.311 52 V HA 0.095 4.211 4.120 -0.006 0.000 0.275 52 V C -1.034 174.958 176.094 -0.171 0.000 1.022 52 V CA -1.000 61.191 62.300 -0.181 0.000 0.830 52 V CB 0.089 31.434 31.823 -0.797 0.000 1.012 52 V HN 0.395 nan 8.190 nan 0.000 0.452 53 Y N 6.413 126.600 120.300 -0.188 0.000 2.593 53 Y HA 0.603 5.150 4.550 -0.005 0.000 0.331 53 Y C -0.090 175.687 175.900 -0.205 0.000 0.986 53 Y CA -0.591 57.299 58.100 -0.351 0.000 1.262 53 Y CB 0.722 38.892 38.460 -0.484 0.000 1.098 53 Y HN 0.542 nan 8.280 nan 0.000 0.506 54 I N 5.325 125.678 120.570 -0.362 0.000 2.339 54 I HA 0.197 4.363 4.170 -0.006 0.000 0.290 54 I C 0.240 176.210 176.117 -0.244 0.000 0.994 54 I CA -0.782 60.441 61.300 -0.127 0.000 1.191 54 I CB 1.545 39.505 38.000 -0.068 0.000 1.343 54 I HN 0.469 nan 8.210 nan 0.000 0.458 55 T N 5.028 119.525 114.554 -0.095 0.000 2.866 55 T HA 0.105 4.451 4.350 -0.006 0.000 0.293 55 T C 1.233 175.902 174.700 -0.051 0.000 1.005 55 T CA 1.074 63.097 62.100 -0.129 0.000 1.162 55 T CB 0.472 69.297 68.868 -0.072 0.000 0.968 55 T HN 1.099 nan 8.240 nan 0.000 0.530 56 G N 2.124 110.836 108.800 -0.146 0.000 2.166 56 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.260 56 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.260 56 G C 0.648 175.511 174.900 -0.060 0.000 0.986 56 G CA 0.412 45.462 45.100 -0.084 0.000 0.683 56 G HN 0.669 nan 8.290 nan 0.000 0.527 57 V N -0.777 119.061 119.914 -0.127 0.000 3.102 57 V HA 0.227 4.343 4.120 -0.006 0.000 0.225 57 V C 2.014 178.010 176.094 -0.163 0.000 1.301 57 V CA 2.136 64.350 62.300 -0.144 0.000 1.308 57 V CB 0.664 32.377 31.823 -0.184 0.000 1.129 57 V HN 0.860 nan 8.190 nan 0.000 0.502 58 T N -1.196 113.199 114.554 -0.265 0.000 3.182 58 T HA 0.228 4.574 4.350 -0.006 0.000 0.277 58 T C 0.078 174.534 174.700 -0.407 0.000 1.013 58 T CA -0.030 61.904 62.100 -0.278 0.000 0.900 58 T CB -0.135 68.540 68.868 -0.322 0.000 1.098 58 T HN 0.532 nan 8.240 nan 0.000 0.543 59 D N 0.693 120.788 120.400 -0.508 0.000 2.589 59 D HA 0.150 4.786 4.640 -0.006 0.000 0.268 59 D C 1.241 177.404 176.300 -0.228 0.000 1.182 59 D CA -0.547 53.094 54.000 -0.599 0.000 1.087 59 D CB -0.067 40.161 40.800 -0.953 0.000 1.186 59 D HN 0.372 nan 8.370 nan 0.000 0.620 60 H N -2.568 116.411 119.070 -0.152 0.000 2.524 60 H HA 0.042 4.594 4.556 -0.006 0.000 0.282 60 H C 1.373 176.587 175.328 -0.190 0.000 1.016 60 H CA 1.229 57.209 56.048 -0.114 0.000 1.270 60 H CB -0.457 29.239 29.762 -0.109 0.000 1.394 60 H HN 0.338 nan 8.280 nan 0.000 0.568 61 H N 0.591 119.268 119.070 -0.655 0.000 2.456 61 H HA -0.024 4.528 4.556 -0.007 0.000 0.296 61 H C 0.973 176.194 175.328 -0.177 0.000 1.079 61 H CA 1.319 57.133 56.048 -0.391 0.000 1.322 61 H CB 0.349 29.881 29.762 -0.383 0.000 1.388 61 H HN 0.527 nan 8.280 nan 0.000 0.538 62 Q N 0.511 120.269 119.800 -0.070 0.000 2.198 62 Q HA 0.049 4.386 4.340 -0.006 0.000 0.209 62 Q C -0.003 175.962 176.000 -0.058 0.000 0.848 62 Q CA -0.279 55.492 55.803 -0.054 0.000 0.974 62 Q CB 0.228 28.924 28.738 -0.070 0.000 1.115 62 Q HN 0.309 nan 8.270 nan 0.000 0.494 63 N N 0.747 119.413 118.700 -0.056 0.000 2.716 63 N HA -0.194 4.543 4.740 -0.006 0.000 0.250 63 N C -0.486 174.964 175.510 -0.099 0.000 1.033 63 N CA 1.018 54.036 53.050 -0.054 0.000 0.727 63 N CB -1.129 37.335 38.487 -0.038 0.000 0.950 63 N HN 0.353 nan 8.380 nan 0.000 0.541 64 A N 0.066 122.822 122.820 -0.105 0.000 2.340 64 A HA 0.343 4.659 4.320 -0.006 0.000 0.268 64 A C 0.611 178.057 177.584 -0.230 0.000 1.100 64 A CA -0.356 51.601 52.037 -0.132 0.000 0.803 64 A CB 0.539 19.477 19.000 -0.103 0.000 1.043 64 A HN 0.302 nan 8.150 nan 0.000 0.488 65 Q N 1.609 121.235 119.800 -0.290 0.000 2.313 65 Q HA 0.221 4.558 4.340 -0.006 0.000 0.266 65 Q C -2.250 173.568 176.000 -0.303 0.000 0.989 65 Q CA -1.537 53.964 55.803 -0.504 0.000 0.890 65 Q CB 0.119 28.634 28.738 -0.372 0.000 1.200 65 Q HN 0.427 nan 8.270 nan 0.000 0.396 66 P HA -0.150 nan 4.420 nan 0.000 0.258 66 P C -0.971 176.407 177.300 0.129 0.000 1.172 66 P CA 0.637 63.519 63.100 -0.364 0.000 0.762 66 P CB 0.408 31.211 31.700 -1.494 0.000 0.764 67 Q N 1.870 121.782 119.800 0.185 0.000 2.278 67 Q HA 0.406 4.742 4.340 -0.006 0.000 0.257 67 Q C 0.355 176.350 176.000 -0.009 0.000 0.928 67 Q CA 0.054 55.872 55.803 0.025 0.000 0.932 67 Q CB 1.953 30.483 28.738 -0.346 0.000 1.221 67 Q HN 0.319 nan 8.270 nan 0.000 0.434 71 R N 1.748 121.874 120.500 -0.623 0.000 2.457 71 R HA 0.708 5.044 4.340 -0.006 0.000 0.284 71 R C -0.457 175.651 176.300 -0.321 0.000 1.024 71 R CA -0.673 55.003 56.100 -0.707 0.000 1.025 71 R CB 0.619 30.120 30.300 -1.332 0.000 1.063 71 R HN 0.403 nan 8.270 nan 0.000 0.493 72 I N 2.596 123.052 120.570 -0.189 0.000 2.406 72 I HA 0.073 4.240 4.170 -0.006 0.000 0.293 72 I C 0.760 176.784 176.117 -0.155 0.000 1.101 72 I CA -0.480 60.742 61.300 -0.129 0.000 1.334 72 I CB -0.377 37.560 38.000 -0.106 0.000 1.421 72 I HN 0.887 nan 8.210 nan 0.000 0.513 73 A N 5.226 127.964 122.820 -0.137 0.000 2.600 73 A HA 0.282 4.599 4.320 -0.006 0.000 0.244 73 A C 1.491 179.015 177.584 -0.100 0.000 1.016 73 A CA 1.013 52.981 52.037 -0.116 0.000 0.778 73 A CB -0.561 18.387 19.000 -0.087 0.000 0.920 73 A HN 1.435 nan 8.150 nan 0.000 0.513 74 G N 1.604 110.354 108.800 -0.083 0.000 2.234 74 G HA2 -0.109 3.847 3.960 -0.006 0.000 0.235 74 G HA3 -0.109 3.847 3.960 -0.006 0.000 0.235 74 G C 0.578 175.446 174.900 -0.053 0.000 0.997 74 G CA 0.876 45.941 45.100 -0.059 0.000 0.623 74 G HN 2.369 nan 8.290 nan 0.000 0.514 75 T N -1.596 112.912 114.554 -0.076 0.000 2.910 75 T HA 0.562 4.908 4.350 -0.006 0.000 0.287 75 T C 0.324 175.025 174.700 0.002 0.000 1.050 75 T CA 0.451 62.524 62.100 -0.046 0.000 1.011 75 T CB 1.950 70.750 68.868 -0.114 0.000 1.195 75 T HN 0.270 nan 8.240 nan 0.000 0.540 76 D N -0.115 120.349 120.400 0.106 0.000 2.370 76 D HA 0.135 4.771 4.640 -0.006 0.000 0.230 76 D C -0.012 176.500 176.300 0.353 0.000 1.143 76 D CA -0.341 53.767 54.000 0.181 0.000 0.834 76 D CB -0.591 40.292 40.800 0.139 0.000 0.944 76 D HN 0.312 nan 8.370 nan 0.000 0.504 77 V N 1.031 121.128 119.914 0.305 0.000 2.383 77 V HA 0.312 4.429 4.120 -0.006 0.000 0.275 77 V C -0.498 175.808 176.094 0.354 0.000 1.036 77 V CA -0.795 61.814 62.300 0.514 0.000 0.889 77 V CB 0.555 32.498 31.823 0.199 0.000 0.985 77 V HN 0.084 nan 8.190 nan 0.000 0.459 78 W N 4.415 126.018 121.300 0.505 0.000 2.570 78 W HA 0.806 5.461 4.660 -0.008 0.000 0.337 78 W C 0.265 177.036 176.519 0.418 0.000 1.067 78 W CA -0.541 57.047 57.345 0.405 0.000 1.229 78 W CB 1.336 31.065 29.460 0.448 0.000 1.355 78 W HN 0.420 nan 8.180 nan 0.000 0.555 79 R N 1.569 122.347 120.500 0.462 0.000 2.707 79 R HA 0.572 4.909 4.340 -0.006 0.000 0.272 79 R C -2.309 174.137 176.300 0.244 0.000 1.011 79 R CA -0.710 55.518 56.100 0.214 0.000 0.893 79 R CB 2.020 32.357 30.300 0.062 0.000 1.233 79 R HN 0.682 nan 8.270 nan 0.000 0.464 80 W N 1.842 123.090 121.300 -0.086 0.000 3.818 80 W HA 0.484 5.142 4.660 -0.003 0.000 0.283 80 W C -1.901 174.605 176.519 -0.021 0.000 1.265 80 W CA 0.012 57.328 57.345 -0.047 0.000 1.226 80 W CB 2.020 31.451 29.460 -0.049 0.000 1.281 80 W HN 0.517 nan 8.180 nan 0.000 0.539 81 S N 2.662 117.842 115.700 -0.866 0.000 2.632 81 S HA 0.860 5.326 4.470 -0.006 0.000 0.289 81 S C -0.863 172.989 174.600 -1.247 0.000 1.115 81 S CA -0.631 57.125 58.200 -0.739 0.000 0.889 81 S CB 2.258 65.212 63.200 -0.411 0.000 1.116 81 S HN 0.515 nan 8.310 nan 0.000 0.486 82 T N -0.300 113.844 114.554 -0.684 0.000 2.693 82 T HA 0.683 5.030 4.350 -0.006 0.000 0.304 82 T C -1.941 172.620 174.700 -0.231 0.000 1.471 82 T CA -0.289 61.498 62.100 -0.522 0.000 0.993 82 T CB 0.989 69.575 68.868 -0.471 0.000 1.554 82 T HN 0.883 nan 8.240 nan 0.000 0.496 83 A N 1.696 124.412 122.820 -0.174 0.000 2.317 83 A HA 0.872 5.189 4.320 -0.006 0.000 0.327 83 A C -1.111 176.388 177.584 -0.142 0.000 1.178 83 A CA -0.561 51.409 52.037 -0.112 0.000 0.817 83 A CB 0.370 19.313 19.000 -0.094 0.000 1.189 83 A HN 0.773 nan 8.150 nan 0.000 0.489 84 L N 1.551 122.714 121.223 -0.100 0.000 2.409 84 L HA 0.466 4.802 4.340 -0.006 0.000 0.262 84 L C 0.565 177.432 176.870 -0.005 0.000 0.992 84 L CA -0.780 53.943 54.840 -0.194 0.000 0.817 84 L CB 2.527 44.378 42.059 -0.348 0.000 1.350 84 L HN 0.881 nan 8.230 nan 0.000 0.411 85 S N 0.669 116.367 115.700 -0.004 0.000 2.593 85 S HA 0.344 4.810 4.470 -0.006 0.000 0.269 85 S C 1.071 175.788 174.600 0.195 0.000 1.334 85 S CA 0.016 58.282 58.200 0.109 0.000 1.015 85 S CB 1.588 64.842 63.200 0.089 0.000 0.912 85 S HN 0.739 nan 8.310 nan 0.000 0.541 86 A N 1.655 124.617 122.820 0.237 0.000 2.015 86 A HA -0.050 4.267 4.320 -0.006 0.000 0.219 86 A C 1.752 179.380 177.584 0.072 0.000 1.163 86 A CA 1.120 53.305 52.037 0.247 0.000 0.646 86 A CB -0.741 18.448 19.000 0.315 0.000 0.806 86 A HN 0.836 nan 8.150 nan 0.000 0.448 87 N N -2.086 116.667 118.700 0.089 0.000 2.336 87 N HA 0.025 4.761 4.740 -0.006 0.000 0.189 87 N C -0.104 175.434 175.510 0.047 0.000 1.113 87 N CA -0.146 52.929 53.050 0.042 0.000 0.858 87 N CB -0.082 38.429 38.487 0.041 0.000 0.970 87 N HN 0.700 nan 8.380 nan 0.000 0.471 88 W N 2.227 123.469 121.300 -0.096 0.000 2.170 88 W HA 0.209 4.868 4.660 -0.000 0.000 0.336 88 W C 0.452 176.895 176.519 -0.126 0.000 1.283 88 W CA -0.154 57.131 57.345 -0.100 0.000 1.224 88 W CB 0.544 29.956 29.460 -0.081 0.000 1.132 88 W HN -0.160 nan 8.180 nan 0.000 0.571 89 R N 3.768 123.522 120.500 -1.243 0.000 2.566 89 R HA 0.658 4.994 4.340 -0.006 0.000 0.271 89 R C -0.969 174.265 176.300 -1.778 0.000 1.071 89 R CA -0.319 55.029 56.100 -1.255 0.000 0.915 89 R CB 1.344 31.281 30.300 -0.605 0.000 1.228 89 R HN 0.793 nan 8.270 nan 0.000 0.449 90 G N 0.894 108.839 108.800 -1.426 0.000 2.466 90 G HA2 0.333 4.289 3.960 -0.006 0.000 0.291 90 G HA3 0.333 4.289 3.960 -0.006 0.000 0.291 90 G C -1.536 173.303 174.900 -0.101 0.000 1.460 90 G CA -0.730 43.937 45.100 -0.722 0.000 0.791 90 G HN 0.508 nan 8.290 nan 0.000 0.505 91 S N -0.792 114.929 115.700 0.034 0.000 2.646 91 S HA 0.843 5.309 4.470 -0.006 0.000 0.276 91 S C -0.764 173.970 174.600 0.224 0.000 1.222 91 S CA -0.248 58.012 58.200 0.100 0.000 1.014 91 S CB 0.981 64.172 63.200 -0.015 0.000 0.991 91 S HN 1.139 nan 8.310 nan 0.000 0.533 92 Y N -1.960 118.327 120.300 -0.021 0.000 2.656 92 Y HA 0.737 5.285 4.550 -0.004 0.000 0.334 92 Y C -0.892 174.899 175.900 -0.182 0.000 1.179 92 Y CA -1.788 56.293 58.100 -0.032 0.000 1.050 92 Y CB 0.337 38.846 38.460 0.082 0.000 1.308 92 Y HN 0.940 nan 8.280 nan 0.000 0.456 93 C N -0.072 119.126 119.300 -0.169 0.000 3.285 93 C HA 0.857 5.313 4.460 -0.006 0.000 0.325 93 C C -1.700 173.168 174.990 -0.204 0.000 1.304 93 C CA -1.007 57.769 59.018 -0.403 0.000 1.319 93 C CB 0.679 28.235 27.740 -0.307 0.000 1.640 93 C HN 0.794 nan 8.230 nan 0.000 0.477 94 F N 0.670 120.585 119.950 -0.060 0.000 2.483 94 F HA 0.802 5.325 4.527 -0.007 0.000 0.329 94 F C 0.427 176.108 175.800 -0.198 0.000 1.064 94 F CA -1.970 55.948 58.000 -0.137 0.000 0.986 94 F CB 1.148 40.001 39.000 -0.246 0.000 1.218 94 F HN 0.517 nan 8.300 nan 0.000 0.484 95 I N 3.658 124.243 120.570 0.025 0.000 2.782 95 I HA 0.217 4.384 4.170 -0.006 0.000 0.279 95 I C -2.651 173.363 176.117 -0.172 0.000 1.247 95 I CA -1.772 59.523 61.300 -0.008 0.000 1.062 95 I CB 1.109 39.234 38.000 0.208 0.000 1.421 95 I HN 0.197 nan 8.210 nan 0.000 0.558 96 P HA 0.163 nan 4.420 nan 0.000 0.281 96 P C -0.245 176.875 177.300 -0.300 0.000 1.286 96 P CA 0.251 62.955 63.100 -0.659 0.000 0.772 96 P CB 1.549 32.582 31.700 -1.112 0.000 0.862 97 T N 1.118 115.528 114.554 -0.240 0.000 2.864 97 T HA 0.266 4.612 4.350 -0.006 0.000 0.299 97 T C 0.615 175.276 174.700 -0.065 0.000 1.166 97 T CA -0.493 61.556 62.100 -0.085 0.000 1.007 97 T CB 1.387 70.264 68.868 0.016 0.000 1.219 97 T HN 0.263 nan 8.240 nan 0.000 0.506 98 E N 0.438 120.633 120.200 -0.008 0.000 2.447 98 E HA 0.154 4.500 4.350 -0.006 0.000 0.195 98 E C 0.394 177.010 176.600 0.026 0.000 1.028 98 E CA 0.000 56.410 56.400 0.016 0.000 0.876 98 E CB 0.435 30.152 29.700 0.029 0.000 0.885 98 E HN 0.332 nan 8.360 nan 0.000 0.500 99 R N 1.863 122.383 120.500 0.033 0.000 2.539 99 R HA 0.043 4.380 4.340 -0.006 0.000 0.275 99 R C -0.106 176.245 176.300 0.087 0.000 1.077 99 R CA 0.369 56.496 56.100 0.046 0.000 1.097 99 R CB 0.348 30.668 30.300 0.033 0.000 1.018 99 R HN 0.080 nan 8.270 nan 0.000 0.483 100 D N -0.278 120.168 120.400 0.076 0.000 2.651 100 D HA -0.029 4.608 4.640 -0.006 0.000 0.280 100 D C -0.446 175.901 176.300 0.079 0.000 1.496 100 D CA -0.348 53.719 54.000 0.113 0.000 0.792 100 D CB 0.136 40.986 40.800 0.083 0.000 1.144 100 D HN 0.539 nan 8.370 nan 0.000 0.470 101 D N -0.151 120.265 120.400 0.027 0.000 2.696 101 D HA 0.113 4.749 4.640 -0.006 0.000 0.269 101 D C 0.783 177.026 176.300 -0.095 0.000 1.319 101 D CA -0.468 53.519 54.000 -0.023 0.000 0.826 101 D CB 0.261 41.044 40.800 -0.030 0.000 1.086 101 D HN 0.095 nan 8.370 nan 0.000 0.481 102 V N -0.611 119.214 119.914 -0.148 0.000 2.602 102 V HA 0.253 4.369 4.120 -0.006 0.000 0.235 102 V C 0.496 176.305 176.094 -0.476 0.000 1.087 102 V CA 0.601 62.662 62.300 -0.398 0.000 1.117 102 V CB -0.351 31.076 31.823 -0.660 0.000 0.820 102 V HN 0.020 nan 8.190 nan 0.000 0.490 103 F N 0.198 120.034 119.950 -0.190 0.000 2.371 103 F HA 0.679 5.204 4.527 -0.003 0.000 0.329 103 F C 0.649 176.352 175.800 -0.162 0.000 1.107 103 F CA -0.424 57.472 58.000 -0.174 0.000 1.137 103 F CB 0.562 39.467 39.000 -0.159 0.000 1.214 103 F HN 0.090 nan 8.300 nan 0.000 0.536 104 A N 1.102 123.868 122.820 -0.090 0.000 2.239 104 A HA 0.804 5.121 4.320 -0.006 0.000 0.303 104 A C -0.263 176.958 177.584 -0.605 0.000 1.114 104 A CA -0.318 51.532 52.037 -0.312 0.000 0.871 104 A CB 0.010 18.802 19.000 -0.347 0.000 1.201 104 A HN 0.922 nan 8.150 nan 0.000 0.506 105 A N -0.780 121.755 122.820 -0.475 0.000 2.386 105 A HA 0.617 4.933 4.320 -0.006 0.000 0.248 105 A C -0.933 176.247 177.584 -0.674 0.000 1.082 105 A CA 0.154 51.959 52.037 -0.387 0.000 0.789 105 A CB -0.298 18.606 19.000 -0.160 0.000 1.025 105 A HN 0.669 nan 8.150 nan 0.000 0.490 106 F N 0.087 120.051 119.950 0.024 0.000 2.557 106 F HA 0.565 5.088 4.527 -0.007 0.000 0.316 106 F C 0.576 176.386 175.800 0.017 0.000 1.141 106 F CA -0.340 57.668 58.000 0.014 0.000 0.922 106 F CB 1.750 40.751 39.000 0.001 0.000 1.194 106 F HN 0.745 nan 8.300 nan 0.000 0.443 107 A N 3.604 126.529 122.820 0.176 0.000 2.351 107 A HA 0.696 5.012 4.320 -0.006 0.000 0.257 107 A C -2.567 175.082 177.584 0.107 0.000 1.087 107 A CA -1.600 50.502 52.037 0.108 0.000 0.798 107 A CB -0.141 18.901 19.000 0.070 0.000 1.033 107 A HN 0.453 nan 8.150 nan 0.000 0.488 108 P HA 0.277 nan 4.420 nan 0.000 0.263 108 P C 0.788 178.114 177.300 0.044 0.000 1.195 108 P CA 1.826 64.960 63.100 0.057 0.000 0.762 108 P CB 0.545 32.271 31.700 0.042 0.000 0.799 109 G N 1.887 110.708 108.800 0.035 0.000 2.136 109 G HA2 -0.246 3.710 3.960 -0.006 0.000 0.242 109 G HA3 -0.246 3.710 3.960 -0.006 0.000 0.242 109 G C -0.025 174.894 174.900 0.030 0.000 0.989 109 G CA -0.269 44.846 45.100 0.024 0.000 0.682 109 G HN 0.632 nan 8.290 nan 0.000 0.522 110 E N 1.119 121.347 120.200 0.048 0.000 2.081 110 E HA 0.468 4.815 4.350 -0.006 0.000 0.276 110 E C -0.109 176.514 176.600 0.038 0.000 0.950 110 E CA -0.416 56.025 56.400 0.067 0.000 0.776 110 E CB 0.446 30.225 29.700 0.131 0.000 1.094 110 E HN 0.082 nan 8.360 nan 0.000 0.402 111 T N 7.005 121.573 114.554 0.023 0.000 2.738 111 T HA 0.198 4.544 4.350 -0.006 0.000 0.293 111 T C -2.194 172.516 174.700 0.016 0.000 0.913 111 T CA -1.016 61.081 62.100 -0.005 0.000 1.103 111 T CB 0.612 69.481 68.868 0.002 0.000 0.880 111 T HN 0.418 nan 8.240 nan 0.000 0.526 112 P HA 0.222 nan 4.420 nan 0.000 0.276 112 P C -0.317 177.009 177.300 0.042 0.000 1.252 112 P CA -0.726 62.401 63.100 0.045 0.000 0.802 112 P CB 0.519 32.145 31.700 -0.125 0.000 1.035 113 D N 0.486 120.935 120.400 0.082 0.000 2.348 113 D HA 0.014 4.650 4.640 -0.006 0.000 0.253 113 D C 1.203 177.528 176.300 0.042 0.000 1.161 113 D CA -0.026 54.004 54.000 0.050 0.000 0.876 113 D CB 0.571 41.401 40.800 0.050 0.000 1.160 113 D HN 0.232 nan 8.370 nan 0.000 0.459 114 R N 3.509 124.021 120.500 0.020 0.000 2.091 114 R HA -0.179 4.157 4.340 -0.006 0.000 0.238 114 R C 1.152 177.452 176.300 0.000 0.000 1.136 114 R CA 1.167 57.279 56.100 0.020 0.000 0.959 114 R CB 0.041 30.338 30.300 -0.004 0.000 0.856 114 R HN 0.478 nan 8.270 nan 0.000 0.437 115 N N 0.201 118.891 118.700 -0.018 0.000 2.104 115 N HA -0.146 4.590 4.740 -0.006 0.000 0.190 115 N C 1.797 177.303 175.510 -0.006 0.000 1.024 115 N CA 1.424 54.455 53.050 -0.032 0.000 0.853 115 N CB -0.383 38.088 38.487 -0.026 0.000 1.008 115 N HN 0.084 nan 8.380 nan 0.000 0.424 116 V N 1.553 121.483 119.914 0.027 0.000 2.515 116 V HA -0.138 3.979 4.120 -0.006 0.000 0.250 116 V C 2.376 178.520 176.094 0.083 0.000 1.058 116 V CA 1.023 63.352 62.300 0.049 0.000 1.064 116 V CB -0.483 31.393 31.823 0.089 0.000 0.675 116 V HN 0.212 nan 8.190 nan 0.000 0.461 117 L N -0.663 120.634 121.223 0.123 0.000 1.973 117 L HA -0.153 4.183 4.340 -0.006 0.000 0.208 117 L C 2.829 179.858 176.870 0.264 0.000 1.073 117 L CA 1.742 56.713 54.840 0.219 0.000 0.746 117 L CB -0.658 41.557 42.059 0.261 0.000 0.891 117 L HN 0.154 nan 8.230 nan 0.000 0.433 118 R N -0.132 120.471 120.500 0.172 0.000 2.119 118 R HA -0.271 4.066 4.340 -0.006 0.000 0.246 118 R C 2.220 178.553 176.300 0.055 0.000 1.146 118 R CA 2.029 58.184 56.100 0.092 0.000 0.962 118 R CB -0.338 29.854 30.300 -0.182 0.000 0.863 118 R HN 0.293 nan 8.270 nan 0.000 0.442 119 E N -0.252 119.937 120.200 -0.017 0.000 2.049 119 E HA -0.154 4.192 4.350 -0.006 0.000 0.198 119 E C 1.927 178.431 176.600 -0.161 0.000 1.007 119 E CA 1.932 58.288 56.400 -0.074 0.000 0.809 119 E CB -0.678 28.975 29.700 -0.077 0.000 0.749 119 E HN 0.374 nan 8.360 nan 0.000 0.450 120 G N -0.486 108.157 108.800 -0.261 0.000 2.469 120 G HA2 -0.277 3.680 3.960 -0.006 0.000 0.219 120 G HA3 -0.277 3.680 3.960 -0.006 0.000 0.219 120 G C 1.347 175.832 174.900 -0.692 0.000 1.150 120 G CA 0.962 45.630 45.100 -0.720 0.000 0.763 120 G HN 0.420 nan 8.290 nan 0.000 0.561 121 W N 0.513 121.721 121.300 -0.154 0.000 2.425 121 W HA 0.140 4.795 4.660 -0.009 0.000 0.277 121 W C 2.891 179.295 176.519 -0.191 0.000 1.231 121 W CA 0.300 57.572 57.345 -0.122 0.000 1.248 121 W CB 0.044 29.512 29.460 0.014 0.000 1.117 121 W HN 0.071 nan 8.180 nan 0.000 0.568 122 R N 0.078 120.601 120.500 0.037 0.000 2.152 122 R HA -0.168 4.169 4.340 -0.006 0.000 0.232 122 R C 1.758 178.018 176.300 -0.067 0.000 1.117 122 R CA 1.140 57.229 56.100 -0.018 0.000 0.981 122 R CB -0.263 30.018 30.300 -0.032 0.000 0.870 122 R HN 0.180 nan 8.270 nan 0.000 0.451 123 Q N -0.289 119.430 119.800 -0.134 0.000 2.398 123 Q HA 0.106 4.442 4.340 -0.006 0.000 0.204 123 Q C 1.636 177.554 176.000 -0.137 0.000 0.932 123 Q CA 0.753 56.466 55.803 -0.151 0.000 0.916 123 Q CB 0.420 29.032 28.738 -0.211 0.000 1.024 123 Q HN 0.308 nan 8.270 nan 0.000 0.504 124 L N -1.415 119.728 121.223 -0.134 0.000 2.349 124 L HA 0.102 4.438 4.340 -0.006 0.000 0.200 124 L C 1.712 178.549 176.870 -0.056 0.000 1.064 124 L CA 0.163 54.957 54.840 -0.075 0.000 0.821 124 L CB -0.252 41.756 42.059 -0.085 0.000 1.027 124 L HN 0.131 nan 8.230 nan 0.000 0.476 125 L N 0.620 121.794 121.223 -0.081 0.000 2.137 125 L HA -0.210 4.126 4.340 -0.006 0.000 0.213 125 L C -0.419 176.341 176.870 -0.183 0.000 1.085 125 L CA 1.530 56.220 54.840 -0.250 0.000 0.760 125 L CB -1.674 40.200 42.059 -0.308 0.000 0.893 125 L HN 0.240 nan 8.230 nan 0.000 0.434 126 P HA -0.171 nan 4.420 nan 0.000 0.222 126 P C 1.182 178.456 177.300 -0.043 0.000 1.147 126 P CA 1.211 64.292 63.100 -0.032 0.000 0.790 126 P CB 0.020 31.706 31.700 -0.022 0.000 0.780 127 Q N -1.191 118.571 119.800 -0.063 0.000 2.360 127 Q HA 0.228 4.564 4.340 -0.006 0.000 0.202 127 Q C 0.697 176.649 176.000 -0.080 0.000 0.915 127 Q CA -0.333 55.439 55.803 -0.050 0.000 0.943 127 Q CB 0.018 28.737 28.738 -0.031 0.000 1.064 127 Q HN 0.135 nan 8.270 nan 0.000 0.511 128 A N 1.914 124.638 122.820 -0.160 0.000 2.483 128 A HA 0.407 4.724 4.320 -0.006 0.000 0.238 128 A C 0.199 177.688 177.584 -0.157 0.000 1.070 128 A CA -0.085 51.811 52.037 -0.235 0.000 0.770 128 A CB -0.000 18.660 19.000 -0.567 0.000 1.008 128 A HN 0.441 nan 8.150 nan 0.000 0.497 129 I N -2.057 118.430 120.570 -0.138 0.000 2.969 129 I HA 0.804 4.970 4.170 -0.006 0.000 0.307 129 I C 0.187 176.195 176.117 -0.181 0.000 1.149 129 I CA -1.178 60.066 61.300 -0.093 0.000 1.008 129 I CB 1.827 39.827 38.000 -0.000 0.000 1.232 129 I HN 0.736 nan 8.210 nan 0.000 0.435 130 A N 1.888 124.597 122.820 -0.185 0.000 2.292 130 A HA 0.209 4.526 4.320 -0.006 0.000 0.265 130 A C -0.320 177.115 177.584 -0.247 0.000 1.133 130 A CA 0.014 51.866 52.037 -0.308 0.000 0.807 130 A CB 0.063 18.914 19.000 -0.248 0.000 1.102 130 A HN 0.845 nan 8.150 nan 0.000 0.502 131 D N -0.382 119.845 120.400 -0.289 0.000 2.347 131 D HA 0.306 4.943 4.640 -0.006 0.000 0.235 131 D C -1.619 174.773 176.300 0.154 0.000 1.149 131 D CA -1.934 52.072 54.000 0.010 0.000 0.850 131 D CB 1.074 41.938 40.800 0.107 0.000 1.061 131 D HN 0.123 nan 8.370 nan 0.000 0.487 132 P HA -0.087 nan 4.420 nan 0.000 0.228 132 P C 1.099 178.491 177.300 0.153 0.000 1.151 132 P CA 0.369 63.565 63.100 0.160 0.000 0.770 132 P CB 0.450 32.238 31.700 0.147 0.000 0.786 133 L N -1.148 120.214 121.223 0.232 0.000 2.375 133 L HA 0.159 4.496 4.340 -0.006 0.000 0.215 133 L C 1.051 178.038 176.870 0.195 0.000 1.108 133 L CA 0.753 55.724 54.840 0.217 0.000 0.830 133 L CB -1.280 40.966 42.059 0.312 0.000 0.959 133 L HN -0.034 nan 8.230 nan 0.000 0.457 134 N N -0.643 118.177 118.700 0.201 0.000 2.469 134 N HA 0.066 4.802 4.740 -0.006 0.000 0.253 134 N C 0.941 176.521 175.510 0.116 0.000 0.970 134 N CA 0.214 53.370 53.050 0.177 0.000 0.940 134 N CB 1.158 39.785 38.487 0.232 0.000 1.128 134 N HN 0.054 nan 8.380 nan 0.000 0.503 135 S N 2.356 118.121 115.700 0.109 0.000 2.555 135 S HA -0.051 4.415 4.470 -0.006 0.000 0.230 135 S C 0.394 175.055 174.600 0.102 0.000 0.978 135 S CA 0.460 58.713 58.200 0.088 0.000 0.934 135 S CB -0.267 62.980 63.200 0.078 0.000 0.766 135 S HN 0.667 nan 8.310 nan 0.000 0.533 136 Q N 2.008 121.885 119.800 0.129 0.000 3.006 136 Q HA 0.442 4.779 4.340 -0.006 0.000 0.260 136 Q C -0.771 175.384 176.000 0.259 0.000 1.356 136 Q CA -0.262 55.646 55.803 0.176 0.000 1.070 136 Q CB 0.511 29.350 28.738 0.169 0.000 1.507 136 Q HN 0.325 nan 8.270 nan 0.000 0.568 137 S N 0.856 116.689 115.700 0.221 0.000 2.638 137 S HA 0.802 5.269 4.470 -0.006 0.000 0.302 137 S C -1.074 173.719 174.600 0.322 0.000 1.096 137 S CA -0.789 57.486 58.200 0.125 0.000 0.953 137 S CB 1.223 64.382 63.200 -0.070 0.000 1.107 137 S HN 0.593 nan 8.310 nan 0.000 0.503 138 W N -0.279 120.952 121.300 -0.115 0.000 2.895 138 W HA 0.648 5.304 4.660 -0.007 0.000 0.377 138 W C -1.705 174.733 176.519 -0.136 0.000 1.191 138 W CA -1.024 56.243 57.345 -0.130 0.000 1.179 138 W CB 0.385 29.745 29.460 -0.167 0.000 1.469 138 W HN 0.225 nan 8.180 nan 0.000 0.577 139 R N 1.553 122.054 120.500 0.002 0.000 2.248 139 R HA 0.298 4.634 4.340 -0.006 0.000 0.328 139 R C 1.070 177.319 176.300 -0.085 0.000 1.067 139 R CA 0.088 56.120 56.100 -0.113 0.000 0.924 139 R CB 0.638 30.901 30.300 -0.061 0.000 1.013 139 R HN 0.956 nan 8.270 nan 0.000 0.454 140 G N 1.208 109.837 108.800 -0.284 0.000 2.509 140 G HA2 -0.074 3.882 3.960 -0.006 0.000 0.218 140 G HA3 -0.074 3.882 3.960 -0.006 0.000 0.218 140 G C 1.039 175.980 174.900 0.068 0.000 1.124 140 G CA 0.807 45.799 45.100 -0.181 0.000 0.776 140 G HN 0.803 nan 8.290 nan 0.000 0.547 141 G N -0.318 108.491 108.800 0.015 0.000 2.284 141 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.230 141 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.230 141 G C 1.388 176.271 174.900 -0.029 0.000 1.021 141 G CA 0.450 45.605 45.100 0.091 0.000 0.619 141 G HN 0.408 nan 8.290 nan 0.000 0.510 142 R N 0.984 121.399 120.500 -0.143 0.000 2.297 142 R HA 0.337 4.673 4.340 -0.006 0.000 0.197 142 R C 1.910 178.140 176.300 -0.117 0.000 0.943 142 R CA 1.357 57.382 56.100 -0.125 0.000 1.038 142 R CB 0.039 30.257 30.300 -0.138 0.000 0.957 142 R HN 1.514 nan 8.270 nan 0.000 0.484 143 G N 1.129 109.828 108.800 -0.167 0.000 2.183 143 G HA2 -0.161 3.796 3.960 -0.006 0.000 0.168 143 G HA3 -0.161 3.796 3.960 -0.006 0.000 0.168 143 G C -0.110 174.768 174.900 -0.038 0.000 1.008 143 G CA 0.023 45.081 45.100 -0.070 0.000 0.677 143 G HN 0.561 nan 8.290 nan 0.000 0.498 144 H N -1.434 117.580 119.070 -0.093 0.000 3.008 144 H HA 0.813 5.366 4.556 -0.006 0.000 0.354 144 H C -0.017 175.201 175.328 -0.184 0.000 1.252 144 H CA -0.468 55.503 56.048 -0.127 0.000 1.117 144 H CB 1.329 31.003 29.762 -0.146 0.000 1.857 144 H HN 0.787 nan 8.280 nan 0.000 0.547 145 A N 1.300 124.091 122.820 -0.048 0.000 2.322 145 A HA 0.570 4.886 4.320 -0.006 0.000 0.269 145 A C 0.405 177.833 177.584 -0.261 0.000 1.094 145 A CA 0.129 52.043 52.037 -0.205 0.000 0.807 145 A CB 0.426 19.328 19.000 -0.163 0.000 1.047 145 A HN 0.811 nan 8.150 nan 0.000 0.487 146 V N -1.353 118.203 119.914 -0.597 0.000 3.167 146 V HA 0.931 5.048 4.120 -0.006 0.000 0.310 146 V C -0.143 175.363 176.094 -0.981 0.000 1.207 146 V CA -0.596 61.250 62.300 -0.757 0.000 1.059 146 V CB 1.543 32.852 31.823 -0.856 0.000 1.079 146 V HN 0.884 nan 8.190 nan 0.000 0.446 147 S N 0.046 115.164 115.700 -0.969 0.000 2.599 147 S HA 0.917 5.383 4.470 -0.006 0.000 0.287 147 S C -0.287 174.079 174.600 -0.390 0.000 1.105 147 S CA -0.153 57.602 58.200 -0.741 0.000 0.899 147 S CB 1.736 64.433 63.200 -0.838 0.000 1.100 147 S HN 1.563 nan 8.310 nan 0.000 0.482 148 A N 1.463 124.360 122.820 0.128 0.000 2.305 148 A HA 0.820 5.137 4.320 -0.006 0.000 0.322 148 A C -1.207 176.595 177.584 0.364 0.000 1.187 148 A CA -0.444 51.794 52.037 0.336 0.000 0.825 148 A CB 0.489 19.714 19.000 0.375 0.000 1.164 148 A HN 0.605 nan 8.150 nan 0.000 0.498 149 L N 1.837 123.254 121.223 0.323 0.000 2.410 149 L HA 0.690 5.026 4.340 -0.006 0.000 0.270 149 L C -0.404 176.482 176.870 0.027 0.000 0.983 149 L CA 0.061 55.065 54.840 0.274 0.000 0.822 149 L CB 1.697 44.026 42.059 0.450 0.000 1.285 149 L HN 0.909 nan 8.230 nan 0.000 0.409 153 D N 0.609 120.939 120.400 -0.116 0.000 2.424 153 D HA 0.380 5.017 4.640 -0.006 0.000 0.220 153 D C 0.494 176.763 176.300 -0.053 0.000 1.150 153 D CA 0.138 54.115 54.000 -0.038 0.000 0.831 153 D CB 0.430 41.245 40.800 0.025 0.000 0.981 153 D HN 0.334 nan 8.370 nan 0.000 0.500 154 A N 2.706 125.465 122.820 -0.101 0.000 2.520 154 A HA 0.295 4.611 4.320 -0.006 0.000 0.245 154 A C -1.842 175.693 177.584 -0.081 0.000 1.072 154 A CA -0.744 51.227 52.037 -0.110 0.000 0.761 154 A CB -0.066 18.834 19.000 -0.168 0.000 1.004 154 A HN -0.014 nan 8.150 nan 0.000 0.499 155 P HA 0.156 nan 4.420 nan 0.000 0.269 155 P C -0.317 176.954 177.300 -0.048 0.000 1.215 155 P CA -0.121 62.951 63.100 -0.046 0.000 0.780 155 P CB 0.431 32.106 31.700 -0.040 0.000 0.898 156 L N 1.854 123.062 121.223 -0.025 0.000 2.485 156 L HA 0.011 4.347 4.340 -0.006 0.000 0.275 156 L C 1.220 178.087 176.870 -0.004 0.000 1.207 156 L CA 0.483 55.316 54.840 -0.012 0.000 0.855 156 L CB -0.339 41.722 42.059 0.003 0.000 1.114 156 L HN 0.332 nan 8.230 nan 0.000 0.485 157 Q N 3.966 123.778 119.800 0.021 0.000 2.466 157 Q HA 0.284 4.621 4.340 -0.006 0.000 0.242 157 Q C -2.266 173.842 176.000 0.180 0.000 1.046 157 Q CA -2.060 53.791 55.803 0.079 0.000 0.841 157 Q CB 1.056 29.806 28.738 0.019 0.000 1.193 157 Q HN 0.330 nan 8.270 nan 0.000 0.508 158 P HA -0.114 nan 4.420 nan 0.000 0.260 158 P C 0.904 178.202 177.300 -0.004 0.000 1.172 158 P CA 1.196 64.326 63.100 0.050 0.000 0.760 158 P CB 0.633 32.342 31.700 0.016 0.000 0.773 159 G N 2.147 110.894 108.800 -0.088 0.000 2.383 159 G HA2 -0.301 3.656 3.960 -0.006 0.000 0.229 159 G HA3 -0.301 3.656 3.960 -0.006 0.000 0.229 159 G C 0.858 175.578 174.900 -0.299 0.000 1.089 159 G CA 0.082 45.026 45.100 -0.260 0.000 0.640 159 G HN 0.478 nan 8.290 nan 0.000 0.510 160 W N 2.623 123.865 121.300 -0.096 0.000 2.519 160 W HA 0.196 4.853 4.660 -0.005 0.000 0.266 160 W C 2.376 178.848 176.519 -0.079 0.000 1.253 160 W CA 1.143 58.428 57.345 -0.101 0.000 1.274 160 W CB -0.028 29.361 29.460 -0.119 0.000 1.114 160 W HN 0.539 nan 8.180 nan 0.000 0.596 161 D N 0.385 120.853 120.400 0.113 0.000 2.162 161 D HA -0.078 4.558 4.640 -0.006 0.000 0.203 161 D C 0.793 177.108 176.300 0.025 0.000 0.967 161 D CA 0.864 54.900 54.000 0.061 0.000 0.840 161 D CB -0.580 40.246 40.800 0.044 0.000 0.972 161 D HN 0.131 nan 8.370 nan 0.000 0.482 162 R N 1.312 121.809 120.500 -0.006 0.000 2.868 162 R HA 0.316 4.652 4.340 -0.006 0.000 0.289 162 R C -2.445 173.824 176.300 -0.051 0.000 1.443 162 R CA -1.512 54.578 56.100 -0.017 0.000 1.651 162 R CB 1.432 31.725 30.300 -0.012 0.000 1.242 162 R HN 0.208 nan 8.270 nan 0.000 0.621 163 P HA -0.022 nan 4.420 nan 0.000 0.267 163 P C -0.671 176.591 177.300 -0.064 0.000 1.205 163 P CA 0.376 63.416 63.100 -0.100 0.000 0.765 163 P CB 0.997 32.655 31.700 -0.071 0.000 0.828 164 E N 0.941 121.093 120.200 -0.081 0.000 2.266 164 E HA 0.282 4.628 4.350 -0.006 0.000 0.268 164 E C -0.414 176.161 176.600 -0.041 0.000 0.879 164 E CA -0.819 55.566 56.400 -0.025 0.000 0.762 164 E CB 1.535 31.274 29.700 0.065 0.000 1.199 164 E HN 0.272 nan 8.360 nan 0.000 0.422 165 T N 3.976 118.515 114.554 -0.025 0.000 2.888 165 T HA 0.143 4.490 4.350 -0.006 0.000 0.301 165 T C -2.141 172.506 174.700 -0.088 0.000 1.001 165 T CA -0.929 61.149 62.100 -0.036 0.000 1.147 165 T CB 0.131 68.990 68.868 -0.015 0.000 0.931 165 T HN 0.221 nan 8.240 nan 0.000 0.541 166 P HA 0.173 nan 4.420 nan 0.000 0.281 166 P C 0.106 177.360 177.300 -0.077 0.000 1.252 166 P CA -0.467 62.551 63.100 -0.136 0.000 0.778 166 P CB 0.554 32.204 31.700 -0.083 0.000 0.895 167 Y N 0.169 120.524 120.300 0.093 0.000 2.207 167 Y HA -0.121 4.425 4.550 -0.006 0.000 0.287 167 Y C 1.348 177.253 175.900 0.009 0.000 1.156 167 Y CA 1.063 59.188 58.100 0.042 0.000 1.182 167 Y CB -0.791 37.698 38.460 0.048 0.000 0.979 167 Y HN 0.224 nan 8.280 nan 0.000 0.521 168 S N 2.447 118.226 115.700 0.132 0.000 2.462 168 S HA 0.333 4.799 4.470 -0.006 0.000 0.294 168 S C -2.463 172.106 174.600 -0.052 0.000 1.144 168 S CA -1.416 56.811 58.200 0.044 0.000 1.088 168 S CB 1.425 64.653 63.200 0.047 0.000 1.009 168 S HN -0.039 nan 8.310 nan 0.000 0.484 169 P HA 0.314 nan 4.420 nan 0.000 0.278 169 P C -2.778 174.371 177.300 -0.250 0.000 1.238 169 P CA -1.738 61.265 63.100 -0.162 0.000 0.794 169 P CB -0.464 31.177 31.700 -0.098 0.000 0.955 170 P HA 0.190 nan 4.420 nan 0.000 0.271 170 P C -0.276 176.896 177.300 -0.213 0.000 1.216 170 P CA 0.299 63.052 63.100 -0.578 0.000 0.771 170 P CB 0.675 31.572 31.700 -1.339 0.000 0.864 175 W N 6.789 127.855 121.300 -0.390 0.000 2.283 175 W HA 0.485 5.141 4.660 -0.006 0.000 0.317 175 W C -1.114 175.204 176.519 -0.336 0.000 1.042 175 W CA -0.440 56.728 57.345 -0.295 0.000 1.348 175 W CB 0.607 29.962 29.460 -0.175 0.000 1.216 175 W HN 0.571 nan 8.180 nan 0.000 0.404 176 H N 4.335 123.334 119.070 -0.117 0.000 2.705 176 H HA 0.191 4.744 4.556 -0.006 0.000 0.291 176 H C -0.080 175.035 175.328 -0.355 0.000 1.085 176 H CA -0.232 55.660 56.048 -0.260 0.000 1.357 176 H CB 1.427 31.134 29.762 -0.092 0.000 1.419 176 H HN 0.290 nan 8.280 nan 0.000 0.462 177 S N 2.389 117.789 115.700 -0.500 0.000 2.457 177 S HA 0.044 4.511 4.470 -0.006 0.000 0.289 177 S C 1.265 175.784 174.600 -0.135 0.000 1.163 177 S CA -0.685 57.293 58.200 -0.370 0.000 1.078 177 S CB 1.208 63.995 63.200 -0.687 0.000 0.987 177 S HN 0.783 nan 8.310 nan 0.000 0.482 178 E N 3.642 123.830 120.200 -0.021 0.000 2.086 178 E HA -0.088 4.258 4.350 -0.006 0.000 0.190 178 E C 2.000 178.598 176.600 -0.003 0.000 0.975 178 E CA 0.504 56.902 56.400 -0.004 0.000 0.813 178 E CB -0.040 29.676 29.700 0.026 0.000 0.768 178 E HN 0.692 nan 8.360 nan 0.000 0.457 179 R N 0.759 121.268 120.500 0.015 0.000 2.080 179 R HA -0.121 4.215 4.340 -0.006 0.000 0.236 179 R C 2.139 178.441 176.300 0.003 0.000 1.137 179 R CA 1.694 57.809 56.100 0.025 0.000 0.943 179 R CB -0.564 29.767 30.300 0.052 0.000 0.846 179 R HN 0.250 nan 8.270 nan 0.000 0.431 180 L N -1.343 119.853 121.223 -0.044 0.000 2.209 180 L HA 0.251 4.587 4.340 -0.006 0.000 0.207 180 L C 1.245 178.082 176.870 -0.055 0.000 1.094 180 L CA 0.593 55.400 54.840 -0.055 0.000 0.790 180 L CB -0.204 41.780 42.059 -0.126 0.000 0.932 180 L HN 0.658 nan 8.230 nan 0.000 0.447 181 G N 1.487 110.239 108.800 -0.080 0.000 2.182 181 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.248 181 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.248 181 G C -0.284 174.571 174.900 -0.074 0.000 1.042 181 G CA 0.438 45.504 45.100 -0.057 0.000 0.775 181 G HN 0.603 nan 8.290 nan 0.000 0.501 182 N N -1.653 116.957 118.700 -0.151 0.000 2.494 182 N HA 0.736 5.472 4.740 -0.006 0.000 0.270 182 N C -0.601 174.740 175.510 -0.281 0.000 1.285 182 N CA -0.285 52.657 53.050 -0.181 0.000 0.812 182 N CB 1.122 39.487 38.487 -0.203 0.000 1.557 182 N HN 0.074 nan 8.380 nan 0.000 0.487 183 S N -0.249 115.313 115.700 -0.230 0.000 2.638 183 S HA 0.779 5.246 4.470 -0.006 0.000 0.298 183 S C -0.639 173.771 174.600 -0.318 0.000 1.111 183 S CA -0.820 57.211 58.200 -0.282 0.000 1.027 183 S CB 1.054 64.194 63.200 -0.099 0.000 1.064 183 S HN 0.729 nan 8.310 nan 0.000 0.525 184 R N 0.540 120.841 120.500 -0.331 0.000 2.687 184 R HA 0.291 4.627 4.340 -0.006 0.000 0.265 184 R C -1.693 174.513 176.300 -0.157 0.000 1.048 184 R CA -0.682 55.292 56.100 -0.209 0.000 0.884 184 R CB 1.106 31.285 30.300 -0.201 0.000 1.258 184 R HN 0.660 nan 8.270 nan 0.000 0.469 185 R N 1.268 121.666 120.500 -0.169 0.000 2.410 185 R HA 0.448 4.785 4.340 -0.006 0.000 0.288 185 R C -0.393 175.724 176.300 -0.304 0.000 1.051 185 R CA -0.587 55.300 56.100 -0.354 0.000 1.021 185 R CB 1.556 31.469 30.300 -0.645 0.000 1.032 185 R HN 0.424 nan 8.270 nan 0.000 0.481 186 V N -1.124 118.580 119.914 -0.349 0.000 2.709 186 V HA 0.592 4.708 4.120 -0.006 0.000 0.308 186 V C -0.971 175.024 176.094 -0.165 0.000 1.062 186 V CA -1.117 61.132 62.300 -0.084 0.000 0.901 186 V CB 2.030 33.874 31.823 0.035 0.000 1.003 186 V HN 0.677 nan 8.190 nan 0.000 0.425 187 W N 3.388 124.790 121.300 0.170 0.000 2.551 187 W HA 0.771 5.428 4.660 -0.006 0.000 0.330 187 W C -0.794 175.825 176.519 0.166 0.000 1.063 187 W CA -0.835 56.625 57.345 0.191 0.000 1.222 187 W CB 2.282 31.971 29.460 0.381 0.000 1.349 187 W HN 0.555 nan 8.180 nan 0.000 0.536 188 I N 4.022 124.759 120.570 0.278 0.000 2.447 188 I HA 0.268 4.434 4.170 -0.006 0.000 0.287 188 I C -0.910 175.268 176.117 0.102 0.000 1.023 188 I CA -0.890 60.521 61.300 0.184 0.000 1.083 188 I CB 1.830 39.887 38.000 0.095 0.000 1.245 188 I HN 0.015 nan 8.210 nan 0.000 0.434 189 L N 6.954 128.290 121.223 0.189 0.000 2.362 189 L HA 0.685 5.021 4.340 -0.006 0.000 0.275 189 L C -0.133 176.877 176.870 0.234 0.000 0.998 189 L CA 0.110 55.025 54.840 0.124 0.000 0.820 189 L CB 2.081 44.252 42.059 0.187 0.000 1.270 189 L HN 0.687 nan 8.230 nan 0.000 0.415 190 T N -0.381 114.258 114.554 0.142 0.000 2.829 190 T HA 0.561 4.907 4.350 -0.006 0.000 0.280 190 T C 0.381 175.170 174.700 0.148 0.000 0.999 190 T CA 0.132 62.316 62.100 0.140 0.000 0.983 190 T CB 1.428 70.346 68.868 0.082 0.000 0.968 190 T HN 0.730 nan 8.240 nan 0.000 0.446 191 T N -1.172 113.478 114.554 0.159 0.000 3.252 191 T HA 0.607 4.954 4.350 -0.006 0.000 0.286 191 T C 0.574 175.350 174.700 0.126 0.000 1.013 191 T CA -0.128 62.060 62.100 0.146 0.000 0.914 191 T CB -0.223 68.744 68.868 0.164 0.000 1.131 191 T HN 1.314 nan 8.240 nan 0.000 0.529 192 G N -0.327 108.530 108.800 0.094 0.000 2.655 192 G HA2 0.481 4.437 3.960 -0.006 0.000 0.296 192 G HA3 0.481 4.437 3.960 -0.006 0.000 0.296 192 G C -1.046 173.877 174.900 0.039 0.000 1.485 192 G CA -0.667 44.474 45.100 0.068 0.000 0.869 192 G HN -0.021 nan 8.290 nan 0.000 0.540 193 D N -0.197 120.219 120.400 0.027 0.000 2.454 193 D HA 0.095 4.731 4.640 -0.006 0.000 0.214 193 D C 0.551 176.849 176.300 -0.005 0.000 1.088 193 D CA 0.222 54.228 54.000 0.010 0.000 0.855 193 D CB 0.709 41.512 40.800 0.005 0.000 1.025 193 D HN 0.375 nan 8.370 nan 0.000 0.502 194 E N 1.064 121.259 120.200 -0.008 0.000 2.415 194 E HA 0.247 4.593 4.350 -0.006 0.000 0.262 194 E C 0.504 177.090 176.600 -0.023 0.000 1.038 194 E CA -0.130 56.260 56.400 -0.017 0.000 0.921 194 E CB 0.457 30.147 29.700 -0.017 0.000 0.950 194 E HN 0.101 nan 8.360 nan 0.000 0.438 195 A N 4.262 127.066 122.820 -0.026 0.000 1.896 195 A HA -0.151 4.166 4.320 -0.006 0.000 0.250 195 A C -1.394 176.172 177.584 -0.031 0.000 1.254 195 A CA 0.215 52.234 52.037 -0.030 0.000 0.757 195 A CB -1.195 17.785 19.000 -0.034 0.000 1.154 195 A HN 0.414 nan 8.150 nan 0.000 0.306 196 P HA -0.126 nan 4.420 nan 0.000 0.216 196 P C 1.012 178.299 177.300 -0.021 0.000 1.150 196 P CA 1.631 64.720 63.100 -0.018 0.000 0.837 196 P CB 0.115 31.805 31.700 -0.017 0.000 0.786 197 E N -0.826 119.352 120.200 -0.037 0.000 2.478 197 E HA -0.102 4.244 4.350 -0.006 0.000 0.198 197 E C 1.625 178.203 176.600 -0.036 0.000 1.046 197 E CA 0.664 57.033 56.400 -0.051 0.000 0.870 197 E CB -0.506 29.155 29.700 -0.065 0.000 0.818 197 E HN 0.332 nan 8.360 nan 0.000 0.527 198 E N 0.112 120.291 120.200 -0.035 0.000 2.415 198 E HA 0.077 4.423 4.350 -0.006 0.000 0.197 198 E C 0.144 176.708 176.600 -0.060 0.000 1.007 198 E CA 0.022 56.397 56.400 -0.041 0.000 0.890 198 E CB 0.185 29.856 29.700 -0.048 0.000 0.891 198 E HN 0.180 nan 8.360 nan 0.000 0.496 199 R N 2.812 123.277 120.500 -0.057 0.000 2.537 199 R HA 0.012 4.348 4.340 -0.006 0.000 0.281 199 R C -2.132 174.109 176.300 -0.097 0.000 0.988 199 R CA -0.613 55.425 56.100 -0.104 0.000 1.077 199 R CB -0.206 30.060 30.300 -0.057 0.000 0.932 199 R HN 0.009 nan 8.270 nan 0.000 0.409 200 P HA 0.026 nan 4.420 nan 0.000 0.278 200 P C -0.968 176.266 177.300 -0.110 0.000 1.238 200 P CA -0.449 62.550 63.100 -0.169 0.000 0.794 200 P CB 0.837 32.247 31.700 -0.483 0.000 0.955 201 L N 2.427 123.649 121.223 -0.002 0.000 2.307 201 L HA 0.692 5.028 4.340 -0.006 0.000 0.282 201 L C -0.725 176.177 176.870 0.053 0.000 1.051 201 L CA -0.574 54.179 54.840 -0.144 0.000 0.804 201 L CB 0.863 42.643 42.059 -0.466 0.000 1.197 201 L HN 0.488 nan 8.230 nan 0.000 0.431 202 A N 6.461 129.284 122.820 0.004 0.000 2.353 202 A HA 0.686 5.003 4.320 -0.006 0.000 0.299 202 A C -0.893 176.739 177.584 0.080 0.000 1.089 202 A CA -0.434 51.653 52.037 0.084 0.000 0.736 202 A CB 0.511 19.595 19.000 0.140 0.000 1.195 202 A HN 0.679 nan 8.150 nan 0.000 0.447 203 I N 2.878 123.500 120.570 0.086 0.000 2.321 203 I HA 0.289 4.455 4.170 -0.006 0.000 0.291 203 I C -1.075 175.118 176.117 0.125 0.000 0.998 203 I CA -0.618 60.754 61.300 0.120 0.000 1.227 203 I CB 1.472 39.566 38.000 0.157 0.000 1.368 203 I HN 0.423 nan 8.210 nan 0.000 0.466 204 L N 7.551 128.865 121.223 0.152 0.000 2.298 204 L HA 0.462 4.798 4.340 -0.006 0.000 0.284 204 L C 0.022 177.016 176.870 0.207 0.000 1.013 204 L CA -0.063 54.853 54.840 0.126 0.000 0.824 204 L CB 1.232 43.328 42.059 0.062 0.000 1.221 204 L HN 0.430 nan 8.230 nan 0.000 0.418 205 L N 2.649 123.986 121.223 0.191 0.000 2.475 205 L HA 0.272 4.608 4.340 -0.006 0.000 0.253 205 L C 0.395 177.412 176.870 0.246 0.000 1.198 205 L CA -0.555 54.400 54.840 0.192 0.000 0.814 205 L CB 0.211 42.339 42.059 0.115 0.000 1.134 205 L HN 0.640 nan 8.230 nan 0.000 0.478 206 D N 1.057 121.563 120.400 0.177 0.000 2.708 206 D HA -0.168 4.468 4.640 -0.006 0.000 0.236 206 D C 1.207 177.648 176.300 0.234 0.000 1.146 206 D CA 0.908 55.000 54.000 0.152 0.000 0.662 206 D CB -0.842 39.989 40.800 0.053 0.000 1.059 206 D HN 0.960 nan 8.370 nan 0.000 0.428 207 G N 0.918 109.891 108.800 0.290 0.000 2.450 207 G HA2 -0.344 3.613 3.960 -0.006 0.000 0.220 207 G HA3 -0.344 3.613 3.960 -0.006 0.000 0.220 207 G C 1.601 176.479 174.900 -0.037 0.000 1.130 207 G CA 1.266 46.530 45.100 0.273 0.000 0.760 207 G HN 0.459 nan 8.290 nan 0.000 0.557 208 Q N 0.052 119.898 119.800 0.078 0.000 2.096 208 Q HA -0.161 4.175 4.340 -0.006 0.000 0.204 208 Q C 2.246 178.129 176.000 -0.195 0.000 0.982 208 Q CA 1.397 57.164 55.803 -0.060 0.000 0.850 208 Q CB -0.983 27.866 28.738 0.186 0.000 0.901 208 Q HN 0.467 nan 8.270 nan 0.000 0.422 209 F N 0.238 120.003 119.950 -0.308 0.000 2.128 209 F HA -0.049 4.475 4.527 -0.006 0.000 0.295 209 F C 1.525 176.987 175.800 -0.563 0.000 1.100 209 F CA 1.191 58.905 58.000 -0.478 0.000 1.260 209 F CB -0.293 38.300 39.000 -0.678 0.000 1.009 209 F HN 0.039 nan 8.300 nan 0.000 0.476 210 W N -0.356 120.910 121.300 -0.056 0.000 2.825 210 W HA 0.134 4.790 4.660 -0.007 0.000 0.243 210 W C 2.034 178.165 176.519 -0.648 0.000 1.293 210 W CA 0.574 57.763 57.345 -0.260 0.000 1.403 210 W CB -0.384 28.981 29.460 -0.158 0.000 1.134 210 W HN 0.081 nan 8.180 nan 0.000 0.666 211 A N -0.443 122.035 122.820 -0.570 0.000 2.108 211 A HA 0.117 4.434 4.320 -0.006 0.000 0.206 211 A C 1.654 178.950 177.584 -0.480 0.000 1.212 211 A CA 0.619 52.184 52.037 -0.786 0.000 0.843 211 A CB 0.172 18.285 19.000 -1.479 0.000 0.902 211 A HN 0.247 nan 8.150 nan 0.000 0.477 212 E N -0.308 119.633 120.200 -0.432 0.000 2.629 212 E HA 0.080 4.426 4.350 -0.006 0.000 0.197 212 E C -0.117 176.286 176.600 -0.329 0.000 0.955 212 E CA -0.301 55.937 56.400 -0.269 0.000 1.191 212 E CB -0.030 29.574 29.700 -0.160 0.000 1.175 212 E HN 0.434 nan 8.360 nan 0.000 0.501 216 V N 1.413 120.934 119.914 -0.654 0.000 3.306 216 V HA -0.013 4.103 4.120 -0.006 0.000 0.264 216 V C 1.061 176.766 176.094 -0.648 0.000 1.149 216 V CA 0.667 62.621 62.300 -0.576 0.000 1.143 216 V CB -0.384 31.175 31.823 -0.441 0.000 0.767 216 V HN 0.658 nan 8.190 nan 0.000 0.476 217 W N 1.058 122.185 121.300 -0.289 0.000 2.332 217 W HA -0.091 4.566 4.660 -0.005 0.000 0.321 217 W C 0.063 176.369 176.519 -0.356 0.000 1.219 217 W CA 1.377 58.543 57.345 -0.299 0.000 1.277 217 W CB -2.391 26.959 29.460 -0.183 0.000 1.161 217 W HN 0.272 nan 8.180 nan 0.000 0.476 218 P HA -0.224 nan 4.420 nan 0.000 0.216 218 P C 1.619 178.692 177.300 -0.379 0.000 1.153 218 P CA 2.988 65.963 63.100 -0.207 0.000 0.858 218 P CB -0.417 31.181 31.700 -0.170 0.000 0.789 219 A N -0.861 121.563 122.820 -0.661 0.000 1.930 219 A HA -0.136 4.181 4.320 -0.006 0.000 0.217 219 A C 2.225 179.465 177.584 -0.573 0.000 1.175 219 A CA 1.328 52.865 52.037 -0.832 0.000 0.627 219 A CB -1.571 16.387 19.000 -1.737 0.000 0.815 219 A HN 0.110 nan 8.150 nan 0.000 0.443 220 L N -0.867 120.043 121.223 -0.522 0.000 2.027 220 L HA -0.152 4.184 4.340 -0.006 0.000 0.206 220 L C 3.096 179.762 176.870 -0.340 0.000 1.074 220 L CA 1.053 55.649 54.840 -0.406 0.000 0.745 220 L CB -0.570 41.164 42.059 -0.541 0.000 0.898 220 L HN 0.420 nan 8.230 nan 0.000 0.433 221 A N -0.880 121.717 122.820 -0.372 0.000 1.933 221 A HA -0.226 4.091 4.320 -0.006 0.000 0.218 221 A C 2.545 179.611 177.584 -0.864 0.000 1.175 221 A CA 1.998 53.692 52.037 -0.571 0.000 0.628 221 A CB -0.661 18.080 19.000 -0.431 0.000 0.814 221 A HN 0.366 nan 8.150 nan 0.000 0.444 222 S N -0.399 115.015 115.700 -0.477 0.000 2.356 222 S HA -0.105 4.362 4.470 -0.006 0.000 0.223 222 S C 1.930 176.387 174.600 -0.237 0.000 1.032 222 S CA 1.493 59.519 58.200 -0.290 0.000 1.005 222 S CB -0.471 62.611 63.200 -0.196 0.000 0.867 222 S HN 0.499 nan 8.310 nan 0.000 0.449 223 L N 0.687 121.772 121.223 -0.230 0.000 2.141 223 L HA -0.078 4.258 4.340 -0.006 0.000 0.209 223 L C 2.723 179.532 176.870 -0.102 0.000 1.094 223 L CA 1.469 56.231 54.840 -0.130 0.000 0.763 223 L CB -0.983 41.013 42.059 -0.104 0.000 0.908 223 L HN 0.357 nan 8.230 nan 0.000 0.437 224 T N -1.855 112.592 114.554 -0.179 0.000 2.777 224 T HA -0.182 4.165 4.350 -0.006 0.000 0.266 224 T C 1.668 176.348 174.700 -0.034 0.000 1.040 224 T CA 1.406 63.439 62.100 -0.112 0.000 1.141 224 T CB -0.377 68.410 68.868 -0.135 0.000 0.868 224 T HN 0.494 nan 8.240 nan 0.000 0.444 225 H N 1.153 120.221 119.070 -0.004 0.000 2.421 225 H HA 0.013 4.565 4.556 -0.006 0.000 0.298 225 H C 2.341 177.682 175.328 0.021 0.000 1.087 225 H CA 0.835 56.898 56.048 0.026 0.000 1.330 225 H CB -0.019 29.745 29.762 0.004 0.000 1.388 225 H HN 0.396 nan 8.280 nan 0.000 0.526 226 Q N 0.458 120.311 119.800 0.088 0.000 2.472 226 Q HA 0.039 4.375 4.340 -0.006 0.000 0.208 226 Q C 0.151 176.177 176.000 0.042 0.000 0.958 226 Q CA 0.112 55.948 55.803 0.055 0.000 0.932 226 Q CB 0.417 29.169 28.738 0.023 0.000 1.007 226 Q HN 0.383 nan 8.270 nan 0.000 0.508 227 R N -0.970 119.555 120.500 0.042 0.000 3.872 227 R HA -0.184 4.153 4.340 -0.006 0.000 0.341 227 R C 0.447 176.762 176.300 0.024 0.000 1.172 227 R CA 0.421 56.541 56.100 0.032 0.000 0.901 227 R CB -2.292 28.029 30.300 0.034 0.000 1.422 227 R HN 0.271 nan 8.270 nan 0.000 0.523 228 L N 0.158 121.393 121.223 0.020 0.000 2.585 228 L HA 0.283 4.619 4.340 -0.006 0.000 0.226 228 L C 0.605 177.504 176.870 0.049 0.000 1.113 228 L CA 0.526 55.382 54.840 0.026 0.000 0.876 228 L CB 0.278 42.346 42.059 0.014 0.000 1.072 228 L HN 0.101 nan 8.230 nan 0.000 0.468 229 L N -0.088 121.162 121.223 0.045 0.000 2.434 229 L HA 0.496 4.832 4.340 -0.006 0.000 0.260 229 L C -2.537 174.326 176.870 -0.011 0.000 0.983 229 L CA -1.714 53.174 54.840 0.080 0.000 0.820 229 L CB 2.910 45.059 42.059 0.150 0.000 1.361 229 L HN -0.252 nan 8.230 nan 0.000 0.410 230 P HA 0.174 nan 4.420 nan 0.000 0.278 230 P C -0.274 176.912 177.300 -0.189 0.000 1.258 230 P CA -0.333 62.652 63.100 -0.192 0.000 0.811 230 P CB 0.925 32.412 31.700 -0.354 0.000 1.063 231 G N 0.295 109.020 108.800 -0.124 0.000 2.313 231 G HA2 0.420 4.376 3.960 -0.006 0.000 0.250 231 G HA3 0.420 4.376 3.960 -0.006 0.000 0.250 231 G C -0.149 174.644 174.900 -0.179 0.000 1.281 231 G CA 0.173 45.227 45.100 -0.077 0.000 0.917 231 G HN 0.725 nan 8.290 nan 0.000 0.501 232 A N 1.683 124.402 122.820 -0.170 0.000 2.504 232 A HA 0.837 5.153 4.320 -0.006 0.000 0.285 232 A C -1.033 176.410 177.584 -0.235 0.000 1.261 232 A CA -0.567 51.264 52.037 -0.343 0.000 0.741 232 A CB 1.688 20.266 19.000 -0.704 0.000 1.327 232 A HN 1.054 nan 8.150 nan 0.000 0.441 233 V N 0.802 120.526 119.914 -0.316 0.000 2.376 233 V HA 0.396 4.512 4.120 -0.006 0.000 0.287 233 V C -1.657 174.290 176.094 -0.246 0.000 1.015 233 V CA -0.215 61.996 62.300 -0.149 0.000 0.834 233 V CB 0.642 32.430 31.823 -0.059 0.000 1.001 233 V HN 0.663 nan 8.190 nan 0.000 0.428 234 Y N 5.002 125.363 120.300 0.101 0.000 2.328 234 Y HA 0.640 5.186 4.550 -0.006 0.000 0.337 234 Y C -0.137 175.856 175.900 0.155 0.000 1.008 234 Y CA -0.753 57.434 58.100 0.144 0.000 1.129 234 Y CB 1.728 40.311 38.460 0.205 0.000 1.185 234 Y HN 0.506 nan 8.280 nan 0.000 0.476 235 L N 5.316 126.688 121.223 0.247 0.000 2.318 235 L HA 0.532 4.868 4.340 -0.006 0.000 0.277 235 L C -1.730 175.305 176.870 0.276 0.000 1.008 235 L CA -0.735 54.230 54.840 0.209 0.000 0.846 235 L CB 0.530 42.623 42.059 0.055 0.000 1.220 235 L HN 0.467 nan 8.230 nan 0.000 0.423 236 L N 6.498 127.963 121.223 0.403 0.000 2.264 236 L HA 0.492 4.829 4.340 -0.006 0.000 0.289 236 L C -0.190 176.985 176.870 0.508 0.000 1.044 236 L CA 0.131 55.235 54.840 0.441 0.000 0.807 236 L CB 1.198 43.532 42.059 0.458 0.000 1.192 236 L HN 0.458 nan 8.230 nan 0.000 0.425 237 I N 2.316 123.122 120.570 0.392 0.000 2.354 237 I HA 0.236 4.403 4.170 -0.006 0.000 0.292 237 I C -0.063 176.294 176.117 0.400 0.000 0.989 237 I CA -0.832 60.692 61.300 0.374 0.000 1.188 237 I CB 1.608 39.792 38.000 0.306 0.000 1.342 237 I HN 0.474 nan 8.210 nan 0.000 0.457 238 D N 4.811 125.457 120.400 0.411 0.000 2.383 238 D HA 0.190 4.827 4.640 -0.006 0.000 0.252 238 D C 0.760 177.183 176.300 0.204 0.000 1.166 238 D CA 0.023 54.236 54.000 0.353 0.000 0.879 238 D CB 1.798 42.769 40.800 0.285 0.000 1.164 238 D HN 0.663 nan 8.370 nan 0.000 0.462 239 A N 4.130 127.039 122.820 0.150 0.000 2.206 239 A HA 0.108 4.425 4.320 -0.006 0.000 0.211 239 A C 1.819 179.429 177.584 0.043 0.000 1.158 239 A CA 0.662 52.738 52.037 0.064 0.000 0.761 239 A CB -0.504 18.517 19.000 0.034 0.000 0.801 239 A HN 0.842 nan 8.150 nan 0.000 0.473 240 I N -2.168 118.433 120.570 0.052 0.000 4.788 240 I HA -0.394 3.772 4.170 -0.006 0.000 0.041 240 I C 0.099 176.256 176.117 0.067 0.000 0.631 240 I CA 1.923 63.226 61.300 0.005 0.000 0.589 240 I CB -1.309 36.582 38.000 -0.182 0.000 0.571 240 I HN 0.641 nan 8.210 nan 0.000 0.153 241 D N -1.514 118.956 120.400 0.116 0.000 2.713 241 D HA 0.302 4.938 4.640 -0.006 0.000 0.306 241 D C 0.148 176.516 176.300 0.115 0.000 1.299 241 D CA 0.132 54.207 54.000 0.125 0.000 0.823 241 D CB 0.632 41.523 40.800 0.152 0.000 1.353 241 D HN 0.046 nan 8.370 nan 0.000 0.447 242 T N -0.513 114.092 114.554 0.084 0.000 2.720 242 T HA -0.211 4.135 4.350 -0.006 0.000 0.268 242 T C 1.580 176.308 174.700 0.046 0.000 1.037 242 T CA 2.138 64.281 62.100 0.072 0.000 1.144 242 T CB -0.264 68.644 68.868 0.066 0.000 0.864 242 T HN 0.532 nan 8.240 nan 0.000 0.444 243 Q N -0.071 119.735 119.800 0.009 0.000 2.030 243 Q HA -0.215 4.122 4.340 -0.006 0.000 0.204 243 Q C 2.093 178.010 176.000 -0.139 0.000 0.986 243 Q CA 1.892 57.643 55.803 -0.088 0.000 0.843 243 Q CB -0.127 28.509 28.738 -0.170 0.000 0.904 243 Q HN 0.707 nan 8.270 nan 0.000 0.420 244 H N -0.715 118.337 119.070 -0.030 0.000 2.326 244 H HA -0.033 4.519 4.556 -0.006 0.000 0.301 244 H C 2.159 177.425 175.328 -0.104 0.000 1.081 244 H CA 1.626 57.638 56.048 -0.059 0.000 1.334 244 H CB -0.041 29.691 29.762 -0.050 0.000 1.385 244 H HN 0.178 nan 8.280 nan 0.000 0.504 245 R N 0.788 121.312 120.500 0.041 0.000 2.091 245 R HA -0.158 4.178 4.340 -0.006 0.000 0.238 245 R C 2.272 178.490 176.300 -0.137 0.000 1.136 245 R CA 1.787 57.853 56.100 -0.056 0.000 0.959 245 R CB -0.175 30.134 30.300 0.015 0.000 0.856 245 R HN 0.458 nan 8.270 nan 0.000 0.437 246 S N -0.445 115.212 115.700 -0.072 0.000 2.447 246 S HA -0.129 4.338 4.470 -0.006 0.000 0.233 246 S C 1.693 176.126 174.600 -0.279 0.000 1.006 246 S CA 0.897 59.002 58.200 -0.158 0.000 0.957 246 S CB 0.023 63.242 63.200 0.032 0.000 0.773 246 S HN 0.491 nan 8.310 nan 0.000 0.507 247 Q N 0.348 120.031 119.800 -0.195 0.000 2.349 247 Q HA 0.166 4.503 4.340 -0.006 0.000 0.209 247 Q C 1.897 177.771 176.000 -0.211 0.000 0.920 247 Q CA 0.796 56.499 55.803 -0.168 0.000 0.901 247 Q CB 0.102 28.777 28.738 -0.105 0.000 1.021 247 Q HN 0.692 nan 8.270 nan 0.000 0.519 248 E N 0.189 120.241 120.200 -0.246 0.000 2.276 248 E HA 0.033 4.380 4.350 -0.006 0.000 0.193 248 E C 1.785 178.055 176.600 -0.550 0.000 0.983 248 E CA 0.304 56.521 56.400 -0.305 0.000 0.861 248 E CB 0.416 29.966 29.700 -0.250 0.000 0.817 248 E HN 0.223 nan 8.360 nan 0.000 0.485 249 L N 1.280 122.138 121.223 -0.608 0.000 2.202 249 L HA 0.060 4.396 4.340 -0.006 0.000 0.205 249 L C -1.351 175.100 176.870 -0.700 0.000 1.083 249 L CA 0.110 54.570 54.840 -0.633 0.000 0.790 249 L CB -0.848 40.926 42.059 -0.475 0.000 0.942 249 L HN -0.048 nan 8.230 nan 0.000 0.452 250 P HA 0.097 nan 4.420 nan 0.000 0.252 250 P C -0.249 176.245 177.300 -1.344 0.000 1.727 250 P CA 0.068 62.254 63.100 -1.524 0.000 1.134 250 P CB -0.223 30.066 31.700 -2.351 0.000 1.876 251 C N 1.085 119.741 119.300 -1.074 0.000 4.056 251 C HA -0.157 4.299 4.460 -0.006 0.000 0.302 251 C C 0.727 175.280 174.990 -0.728 0.000 1.356 251 C CA 0.106 58.333 59.018 -1.319 0.000 2.074 251 C CB -3.091 24.179 27.740 -0.783 0.000 1.328 251 C HN 0.615 nan 8.230 nan 0.000 0.684 252 N N 0.210 118.659 118.700 -0.417 0.000 2.469 252 N HA 0.608 5.344 4.740 -0.006 0.000 0.253 252 N C 0.633 176.320 175.510 0.295 0.000 0.970 252 N CA 0.245 53.272 53.050 -0.038 0.000 0.940 252 N CB 1.437 39.883 38.487 -0.068 0.000 1.128 252 N HN 0.463 nan 8.380 nan 0.000 0.503 253 A N 3.377 126.471 122.820 0.456 0.000 1.933 253 A HA -0.134 4.183 4.320 -0.006 0.000 0.218 253 A C 1.493 179.360 177.584 0.472 0.000 1.175 253 A CA 1.376 53.839 52.037 0.710 0.000 0.628 253 A CB -0.245 19.135 19.000 0.633 0.000 0.814 253 A HN 0.679 nan 8.150 nan 0.000 0.444 254 D N -1.055 119.524 120.400 0.298 0.000 2.149 254 D HA -0.152 4.484 4.640 -0.006 0.000 0.198 254 D C 1.525 177.915 176.300 0.150 0.000 0.990 254 D CA 1.181 55.297 54.000 0.192 0.000 0.839 254 D CB -0.426 40.457 40.800 0.138 0.000 0.948 254 D HN 0.488 nan 8.370 nan 0.000 0.460 255 F N -0.213 119.737 119.950 0.001 0.000 2.069 255 F HA -0.199 4.324 4.527 -0.006 0.000 0.298 255 F C 1.930 177.590 175.800 -0.234 0.000 1.113 255 F CA 1.617 59.519 58.000 -0.163 0.000 1.214 255 F CB -0.545 38.250 39.000 -0.343 0.000 0.978 255 F HN -0.009 nan 8.300 nan 0.000 0.474 256 W N 0.268 121.590 121.300 0.037 0.000 2.436 256 W HA -0.024 4.632 4.660 -0.007 0.000 0.284 256 W C 2.257 178.507 176.519 -0.448 0.000 1.225 256 W CA 0.649 57.831 57.345 -0.271 0.000 1.271 256 W CB -0.465 28.832 29.460 -0.273 0.000 1.114 256 W HN 0.026 nan 8.180 nan 0.000 0.559 257 L N -0.058 121.081 121.223 -0.140 0.000 2.017 257 L HA -0.201 4.136 4.340 -0.006 0.000 0.208 257 L C 2.700 179.531 176.870 -0.065 0.000 1.073 257 L CA 1.392 56.154 54.840 -0.130 0.000 0.745 257 L CB -1.234 40.847 42.059 0.037 0.000 0.894 257 L HN -0.009 nan 8.230 nan 0.000 0.432 258 A N -0.398 122.407 122.820 -0.025 0.000 1.908 258 A HA -0.172 4.144 4.320 -0.006 0.000 0.218 258 A C 2.332 179.929 177.584 0.022 0.000 1.181 258 A CA 1.870 53.948 52.037 0.068 0.000 0.627 258 A CB -0.899 18.182 19.000 0.135 0.000 0.818 258 A HN 0.204 nan 8.150 nan 0.000 0.445 259 V N -0.047 119.746 119.914 -0.202 0.000 2.407 259 V HA -0.327 3.790 4.120 -0.006 0.000 0.248 259 V C 2.647 178.628 176.094 -0.188 0.000 1.055 259 V CA 2.377 64.445 62.300 -0.388 0.000 1.049 259 V CB -0.821 30.721 31.823 -0.469 0.000 0.662 259 V HN 0.679 nan 8.190 nan 0.000 0.455 260 Q N -0.829 118.931 119.800 -0.068 0.000 2.096 260 Q HA -0.164 4.172 4.340 -0.006 0.000 0.197 260 Q C 2.274 178.241 176.000 -0.055 0.000 0.964 260 Q CA 1.271 57.047 55.803 -0.046 0.000 0.838 260 Q CB -0.103 28.578 28.738 -0.095 0.000 0.906 260 Q HN 0.676 nan 8.270 nan 0.000 0.444 261 Q N 0.017 119.792 119.800 -0.042 0.000 2.269 261 Q HA -0.070 4.266 4.340 -0.006 0.000 0.201 261 Q C 1.217 177.221 176.000 0.005 0.000 0.946 261 Q CA 0.896 56.694 55.803 -0.010 0.000 0.877 261 Q CB 0.413 29.160 28.738 0.014 0.000 0.963 261 Q HN 0.388 nan 8.270 nan 0.000 0.472 262 E N -0.261 119.943 120.200 0.006 0.000 2.279 262 E HA -0.015 4.331 4.350 -0.006 0.000 0.199 262 E C 1.579 178.094 176.600 -0.142 0.000 0.893 262 E CA -0.025 56.406 56.400 0.051 0.000 0.978 262 E CB 0.075 29.961 29.700 0.310 0.000 0.964 262 E HN 0.023 nan 8.360 nan 0.000 0.486 263 L N 1.619 122.561 121.223 -0.469 0.000 2.007 263 L HA -0.034 4.302 4.340 -0.006 0.000 0.205 263 L C 2.067 178.723 176.870 -0.357 0.000 1.073 263 L CA 1.531 55.889 54.840 -0.802 0.000 0.744 263 L CB -0.411 40.787 42.059 -1.435 0.000 0.898 263 L HN 0.115 nan 8.230 nan 0.000 0.435 264 L N -0.246 120.854 121.223 -0.205 0.000 2.081 264 L HA -0.175 4.161 4.340 -0.006 0.000 0.212 264 L C -0.214 176.714 176.870 0.096 0.000 1.080 264 L CA 1.386 56.241 54.840 0.025 0.000 0.754 264 L CB -2.032 40.097 42.059 0.117 0.000 0.893 264 L HN 0.307 nan 8.230 nan 0.000 0.433 265 P HA -0.123 nan 4.420 nan 0.000 0.219 265 P C 1.609 178.904 177.300 -0.008 0.000 1.150 265 P CA 0.900 63.995 63.100 -0.008 0.000 0.814 265 P CB 0.032 31.720 31.700 -0.021 0.000 0.787 266 Q N -0.451 119.331 119.800 -0.029 0.000 2.046 266 Q HA -0.075 4.262 4.340 -0.006 0.000 0.200 266 Q C 2.180 178.182 176.000 0.004 0.000 0.975 266 Q CA 1.273 57.063 55.803 -0.021 0.000 0.836 266 Q CB -1.195 27.513 28.738 -0.049 0.000 0.896 266 Q HN 0.146 nan 8.270 nan 0.000 0.428 267 V N 1.077 121.003 119.914 0.019 0.000 2.407 267 V HA -0.236 3.880 4.120 -0.006 0.000 0.248 267 V C 2.468 178.682 176.094 0.201 0.000 1.055 267 V CA 1.894 64.252 62.300 0.097 0.000 1.049 267 V CB -0.586 31.291 31.823 0.089 0.000 0.662 267 V HN 0.311 nan 8.190 nan 0.000 0.455 268 R N 0.359 120.980 120.500 0.202 0.000 2.148 268 R HA -0.091 4.245 4.340 -0.006 0.000 0.227 268 R C 2.163 178.436 176.300 -0.044 0.000 1.103 268 R CA 1.355 57.448 56.100 -0.013 0.000 0.983 268 R CB -0.320 29.830 30.300 -0.251 0.000 0.874 268 R HN 0.486 nan 8.270 nan 0.000 0.451 269 A N 0.362 123.175 122.820 -0.013 0.000 2.014 269 A HA -0.068 4.248 4.320 -0.006 0.000 0.218 269 A C 2.061 179.642 177.584 -0.005 0.000 1.163 269 A CA 1.391 53.417 52.037 -0.019 0.000 0.652 269 A CB -0.240 18.754 19.000 -0.011 0.000 0.808 269 A HN 0.322 nan 8.150 nan 0.000 0.449 270 V N -3.049 116.875 119.914 0.017 0.000 2.685 270 V HA 0.207 4.323 4.120 -0.006 0.000 0.244 270 V C 0.833 176.944 176.094 0.028 0.000 1.054 270 V CA 1.290 63.603 62.300 0.021 0.000 1.076 270 V CB -0.863 30.975 31.823 0.025 0.000 0.725 270 V HN 0.664 nan 8.190 nan 0.000 0.467 271 T N -1.906 112.680 114.554 0.054 0.000 3.105 271 T HA 0.625 4.971 4.350 -0.006 0.000 0.321 271 T C -3.346 171.400 174.700 0.076 0.000 1.135 271 T CA -1.541 60.596 62.100 0.062 0.000 1.053 271 T CB 2.011 70.930 68.868 0.084 0.000 1.133 271 T HN 0.155 nan 8.240 nan 0.000 0.463 272 P HA 0.590 nan 4.420 nan 0.000 0.272 272 P C -0.894 176.426 177.300 0.033 0.000 1.223 272 P CA -0.378 62.670 63.100 -0.086 0.000 0.784 272 P CB 0.135 31.784 31.700 -0.085 0.000 0.923 273 F N -2.201 117.724 119.950 -0.040 0.000 2.693 273 F HA 0.573 5.096 4.527 -0.006 0.000 0.309 273 F C -0.399 175.375 175.800 -0.044 0.000 1.129 273 F CA -1.410 56.562 58.000 -0.047 0.000 0.948 273 F CB 0.569 39.545 39.000 -0.040 0.000 1.315 273 F HN 0.156 nan 8.300 nan 0.000 0.447 274 S N 0.451 116.275 115.700 0.206 0.000 2.562 274 S HA 0.134 4.601 4.470 -0.006 0.000 0.281 274 S C 0.316 175.006 174.600 0.151 0.000 1.333 274 S CA -0.165 58.096 58.200 0.102 0.000 1.052 274 S CB 0.232 63.474 63.200 0.069 0.000 0.884 274 S HN 0.675 nan 8.310 nan 0.000 0.506 275 D N 1.705 122.128 120.400 0.037 0.000 2.339 275 D HA 0.102 4.738 4.640 -0.006 0.000 0.217 275 D C -0.265 176.050 176.300 0.026 0.000 1.050 275 D CA 0.130 54.146 54.000 0.027 0.000 0.856 275 D CB -0.015 40.764 40.800 -0.034 0.000 0.922 275 D HN 0.588 nan 8.370 nan 0.000 0.518 276 D N 0.473 120.897 120.400 0.039 0.000 2.338 276 D HA 0.163 4.799 4.640 -0.006 0.000 0.255 276 D C 1.239 177.570 176.300 0.052 0.000 1.237 276 D CA -0.218 53.804 54.000 0.036 0.000 0.883 276 D CB 1.134 41.956 40.800 0.037 0.000 1.087 276 D HN -0.042 nan 8.370 nan 0.000 0.485 277 A N 3.638 126.475 122.820 0.029 0.000 1.978 277 A HA -0.074 4.242 4.320 -0.006 0.000 0.220 277 A C 2.100 179.729 177.584 0.074 0.000 1.170 277 A CA 1.644 53.699 52.037 0.030 0.000 0.636 277 A CB -0.799 18.201 19.000 0.001 0.000 0.810 277 A HN 0.655 nan 8.150 nan 0.000 0.448 278 G N 0.175 109.020 108.800 0.075 0.000 2.479 278 G HA2 -0.187 3.769 3.960 -0.006 0.000 0.220 278 G HA3 -0.187 3.769 3.960 -0.006 0.000 0.220 278 G C 1.374 176.367 174.900 0.154 0.000 1.115 278 G CA 1.004 46.162 45.100 0.097 0.000 0.757 278 G HN 0.787 nan 8.290 nan 0.000 0.560 279 R N -0.801 119.812 120.500 0.189 0.000 2.600 279 R HA 0.259 4.596 4.340 -0.006 0.000 0.392 279 R C -0.590 175.963 176.300 0.421 0.000 1.032 279 R CA -0.243 56.068 56.100 0.352 0.000 1.139 279 R CB -0.129 30.320 30.300 0.249 0.000 1.400 279 R HN -0.009 nan 8.270 nan 0.000 0.566 280 T N 1.555 116.259 114.554 0.250 0.000 2.733 280 T HA 0.335 4.682 4.350 -0.006 0.000 0.294 280 T C -0.283 174.531 174.700 0.191 0.000 0.956 280 T CA -0.332 61.902 62.100 0.225 0.000 0.987 280 T CB 1.838 70.804 68.868 0.164 0.000 0.920 280 T HN -0.046 nan 8.240 nan 0.000 0.470 281 V N 4.276 124.274 119.914 0.141 0.000 2.532 281 V HA 0.534 4.650 4.120 -0.006 0.000 0.295 281 V C -0.113 175.995 176.094 0.022 0.000 1.041 281 V CA -0.659 61.634 62.300 -0.011 0.000 0.926 281 V CB 1.965 33.633 31.823 -0.257 0.000 0.992 281 V HN 0.631 nan 8.190 nan 0.000 0.457 282 V N 3.506 123.396 119.914 -0.040 0.000 2.443 282 V HA 0.808 4.924 4.120 -0.006 0.000 0.293 282 V C 0.013 176.073 176.094 -0.058 0.000 1.021 282 V CA -0.406 61.859 62.300 -0.058 0.000 0.848 282 V CB 1.537 33.197 31.823 -0.271 0.000 0.998 282 V HN 1.011 nan 8.190 nan 0.000 0.424 283 A N 3.566 126.368 122.820 -0.030 0.000 2.371 283 A HA 1.038 5.354 4.320 -0.006 0.000 0.311 283 A C 0.004 177.561 177.584 -0.044 0.000 1.068 283 A CA -0.051 51.938 52.037 -0.079 0.000 0.744 283 A CB 1.967 20.878 19.000 -0.149 0.000 1.239 283 A HN 1.283 nan 8.150 nan 0.000 0.435 284 G N 0.325 109.072 108.800 -0.088 0.000 2.646 284 G HA2 0.573 4.529 3.960 -0.006 0.000 0.291 284 G HA3 0.573 4.529 3.960 -0.006 0.000 0.291 284 G C -1.930 172.820 174.900 -0.250 0.000 1.445 284 G CA -0.602 44.442 45.100 -0.095 0.000 0.814 284 G HN 0.723 nan 8.290 nan 0.000 0.495 285 Q N 0.086 119.671 119.800 -0.358 0.000 2.365 285 Q HA 0.791 5.127 4.340 -0.006 0.000 0.269 285 Q C 0.552 176.187 176.000 -0.609 0.000 1.061 285 Q CA 0.129 55.478 55.803 -0.757 0.000 0.816 285 Q CB 1.978 29.856 28.738 -1.434 0.000 1.325 285 Q HN 1.155 nan 8.270 nan 0.000 0.446 286 S N 0.550 115.902 115.700 -0.579 0.000 4.116 286 S HA -0.295 4.171 4.470 -0.006 0.000 0.623 286 S C 0.900 175.320 174.600 -0.300 0.000 1.933 286 S CA 1.484 59.499 58.200 -0.307 0.000 4.224 286 S CB -1.232 61.866 63.200 -0.170 0.000 0.208 286 S HN 0.641 nan 8.310 nan 0.000 0.527 287 F N 2.642 122.437 119.950 -0.258 0.000 2.333 287 F HA 0.104 4.628 4.527 -0.005 0.000 0.300 287 F C 2.450 178.041 175.800 -0.347 0.000 1.083 287 F CA 1.353 59.129 58.000 -0.373 0.000 1.395 287 F CB -1.223 37.569 39.000 -0.347 0.000 1.056 287 F HN 0.524 nan 8.300 nan 0.000 0.529 288 G N -0.480 108.257 108.800 -0.105 0.000 2.422 288 G HA2 -0.122 3.834 3.960 -0.006 0.000 0.218 288 G HA3 -0.122 3.834 3.960 -0.006 0.000 0.218 288 G C 2.061 176.894 174.900 -0.112 0.000 1.140 288 G CA 0.787 45.825 45.100 -0.103 0.000 0.775 288 G HN 0.501 nan 8.290 nan 0.000 0.545 289 G N 0.743 109.415 108.800 -0.214 0.000 2.394 289 G HA2 -0.053 3.904 3.960 -0.006 0.000 0.215 289 G HA3 -0.053 3.904 3.960 -0.006 0.000 0.215 289 G C 1.702 176.492 174.900 -0.183 0.000 1.165 289 G CA 0.916 45.900 45.100 -0.193 0.000 0.784 289 G HN 0.389 nan 8.290 nan 0.000 0.535 290 L N 0.952 121.936 121.223 -0.399 0.000 2.017 290 L HA 0.058 4.394 4.340 -0.006 0.000 0.208 290 L C 2.777 179.606 176.870 -0.069 0.000 1.073 290 L CA 2.523 57.120 54.840 -0.406 0.000 0.745 290 L CB -0.813 40.933 42.059 -0.522 0.000 0.894 290 L HN 0.192 nan 8.230 nan 0.000 0.432 291 S N -0.966 114.692 115.700 -0.070 0.000 2.383 291 S HA -0.107 4.360 4.470 -0.006 0.000 0.227 291 S C 2.105 176.857 174.600 0.254 0.000 1.026 291 S CA 1.062 59.343 58.200 0.136 0.000 0.981 291 S CB -0.414 62.858 63.200 0.120 0.000 0.818 291 S HN 0.680 nan 8.310 nan 0.000 0.472 292 A N 1.103 124.002 122.820 0.132 0.000 1.898 292 A HA 0.005 4.321 4.320 -0.006 0.000 0.216 292 A C 2.097 179.653 177.584 -0.048 0.000 1.181 292 A CA 1.535 53.570 52.037 -0.003 0.000 0.620 292 A CB -0.784 18.218 19.000 0.003 0.000 0.819 292 A HN 0.535 nan 8.150 nan 0.000 0.442 293 L N -1.568 119.709 121.223 0.090 0.000 2.027 293 L HA -0.118 4.218 4.340 -0.006 0.000 0.206 293 L C 2.306 179.228 176.870 0.088 0.000 1.074 293 L CA 2.372 57.283 54.840 0.119 0.000 0.745 293 L CB -0.995 41.231 42.059 0.279 0.000 0.898 293 L HN 0.530 nan 8.230 nan 0.000 0.433 294 Y N 0.234 120.545 120.300 0.018 0.000 2.151 294 Y HA -0.331 4.215 4.550 -0.006 0.000 0.284 294 Y C 2.319 178.173 175.900 -0.077 0.000 1.166 294 Y CA 2.207 60.309 58.100 0.002 0.000 1.163 294 Y CB -0.486 38.010 38.460 0.059 0.000 0.974 294 Y HN 0.280 nan 8.280 nan 0.000 0.511 295 A N 0.137 122.851 122.820 -0.177 0.000 1.858 295 A HA -0.092 4.224 4.320 -0.006 0.000 0.216 295 A C 2.493 180.019 177.584 -0.096 0.000 1.190 295 A CA 1.733 53.500 52.037 -0.449 0.000 0.617 295 A CB -1.735 16.253 19.000 -1.686 0.000 0.827 295 A HN 0.596 nan 8.150 nan 0.000 0.443 296 G N -0.329 108.399 108.800 -0.120 0.000 2.422 296 G HA2 -0.148 3.808 3.960 -0.006 0.000 0.218 296 G HA3 -0.148 3.808 3.960 -0.006 0.000 0.218 296 G C 1.553 176.425 174.900 -0.046 0.000 1.146 296 G CA 1.043 46.144 45.100 0.002 0.000 0.769 296 G HN 0.425 nan 8.290 nan 0.000 0.547 297 L N 0.234 121.383 121.223 -0.123 0.000 2.093 297 L HA -0.020 4.317 4.340 -0.006 0.000 0.208 297 L C 2.587 179.268 176.870 -0.316 0.000 1.085 297 L CA 0.925 55.657 54.840 -0.180 0.000 0.755 297 L CB -0.273 41.689 42.059 -0.163 0.000 0.904 297 L HN 0.231 nan 8.230 nan 0.000 0.435 298 N N -1.520 116.861 118.700 -0.532 0.000 2.395 298 N HA -0.056 4.680 4.740 -0.006 0.000 0.175 298 N C 0.179 175.114 175.510 -0.959 0.000 1.029 298 N CA 0.736 53.213 53.050 -0.956 0.000 0.897 298 N CB 0.421 37.861 38.487 -1.746 0.000 0.991 298 N HN 0.331 nan 8.380 nan 0.000 0.441 299 W N 1.970 123.231 121.300 -0.065 0.000 1.683 299 W HA 0.306 4.962 4.660 -0.006 0.000 0.295 299 W C -2.134 174.370 176.519 -0.024 0.000 0.865 299 W CA -1.161 56.175 57.345 -0.014 0.000 2.079 299 W CB 0.608 30.108 29.460 0.066 0.000 2.263 299 W HN -0.010 nan 8.180 nan 0.000 0.427 300 P HA -0.115 nan 4.420 nan 0.000 0.226 300 P C 1.599 178.913 177.300 0.023 0.000 1.153 300 P CA 1.484 64.610 63.100 0.044 0.000 0.777 300 P CB 0.177 31.872 31.700 -0.007 0.000 0.794 301 T N -1.562 113.002 114.554 0.016 0.000 3.085 301 T HA -0.034 4.312 4.350 -0.006 0.000 0.263 301 T C 1.851 176.507 174.700 -0.073 0.000 1.127 301 T CA 0.967 63.060 62.100 -0.012 0.000 1.103 301 T CB -0.257 68.614 68.868 0.006 0.000 0.921 301 T HN -0.047 nan 8.240 nan 0.000 0.510 302 R N -0.777 119.621 120.500 -0.170 0.000 2.276 302 R HA 0.349 4.685 4.340 -0.006 0.000 0.195 302 R C -0.766 175.192 176.300 -0.570 0.000 0.908 302 R CA 0.429 56.252 56.100 -0.462 0.000 1.083 302 R CB 0.306 30.134 30.300 -0.787 0.000 1.182 302 R HN 0.308 nan 8.270 nan 0.000 0.608 303 F N 0.072 120.045 119.950 0.038 0.000 2.443 303 F HA 0.478 5.002 4.527 -0.006 0.000 0.369 303 F C 1.097 176.892 175.800 -0.009 0.000 1.090 303 F CA -0.959 57.036 58.000 -0.009 0.000 1.129 303 F CB 1.799 40.743 39.000 -0.092 0.000 1.367 303 F HN 0.116 nan 8.300 nan 0.000 0.465 304 G N 0.408 109.290 108.800 0.137 0.000 2.838 304 G HA2 0.067 4.023 3.960 -0.006 0.000 0.210 304 G HA3 0.067 4.023 3.960 -0.006 0.000 0.210 304 G C -0.150 174.796 174.900 0.078 0.000 1.153 304 G CA 0.234 45.388 45.100 0.089 0.000 0.778 304 G HN 0.562 nan 8.290 nan 0.000 0.539 305 C N 0.834 120.179 119.300 0.075 0.000 2.319 305 C HA 0.704 5.160 4.460 -0.006 0.000 0.323 305 C C -0.094 174.887 174.990 -0.015 0.000 1.277 305 C CA -1.010 58.018 59.018 0.017 0.000 1.517 305 C CB 0.903 28.615 27.740 -0.047 0.000 2.206 305 C HN 0.045 nan 8.230 nan 0.000 0.486 306 V N 4.355 124.262 119.914 -0.013 0.000 2.555 306 V HA 0.596 4.712 4.120 -0.006 0.000 0.302 306 V C -0.565 175.506 176.094 -0.039 0.000 1.038 306 V CA -0.472 61.813 62.300 -0.026 0.000 0.887 306 V CB 1.776 33.604 31.823 0.008 0.000 0.991 306 V HN 0.649 nan 8.190 nan 0.000 0.434 307 L N 4.519 125.702 121.223 -0.067 0.000 2.401 307 L HA 0.600 4.936 4.340 -0.006 0.000 0.263 307 L C -0.246 176.579 176.870 -0.076 0.000 1.004 307 L CA 0.216 55.001 54.840 -0.091 0.000 0.881 307 L CB 1.473 43.434 42.059 -0.164 0.000 1.219 307 L HN 0.625 nan 8.230 nan 0.000 0.441 308 S N 4.440 120.125 115.700 -0.024 0.000 2.438 308 S HA 0.597 5.063 4.470 -0.006 0.000 0.316 308 S C -0.691 173.862 174.600 -0.078 0.000 1.084 308 S CA -0.451 57.741 58.200 -0.013 0.000 1.107 308 S CB 0.516 63.828 63.200 0.188 0.000 0.981 308 S HN 0.696 nan 8.310 nan 0.000 0.466 309 Q N 2.958 122.622 119.800 -0.225 0.000 2.333 309 Q HA 0.418 4.755 4.340 -0.006 0.000 0.265 309 Q C -0.006 175.763 176.000 -0.385 0.000 0.989 309 Q CA -0.738 54.876 55.803 -0.316 0.000 0.842 309 Q CB 1.641 30.073 28.738 -0.510 0.000 1.262 309 Q HN 0.802 nan 8.270 nan 0.000 0.451 310 S N 1.015 116.646 115.700 -0.115 0.000 3.614 310 S HA -0.177 4.289 4.470 -0.006 0.000 0.360 310 S C 0.546 175.129 174.600 -0.028 0.000 1.023 310 S CA 0.349 58.576 58.200 0.046 0.000 1.114 310 S CB -1.279 62.015 63.200 0.156 0.000 0.907 310 S HN 0.954 nan 8.310 nan 0.000 0.470 311 G N 1.001 109.765 108.800 -0.061 0.000 2.265 311 G HA2 0.290 4.246 3.960 -0.006 0.000 0.240 311 G HA3 0.290 4.246 3.960 -0.006 0.000 0.240 311 G C 0.220 174.783 174.900 -0.561 0.000 1.270 311 G CA -0.214 44.618 45.100 -0.447 0.000 0.901 311 G HN 0.524 nan 8.290 nan 0.000 0.507 312 S N 2.185 117.436 115.700 -0.748 0.000 4.069 312 S HA 0.128 4.594 4.470 -0.006 0.000 0.192 312 S C 0.433 174.468 174.600 -0.942 0.000 1.441 312 S CA -0.323 57.324 58.200 -0.922 0.000 0.994 312 S CB -0.327 62.274 63.200 -0.997 0.000 1.456 312 S HN 0.511 nan 8.310 nan 0.000 0.458 313 F N 0.664 120.481 119.950 -0.221 0.000 2.804 313 F HA 0.125 4.648 4.527 -0.007 0.000 0.303 313 F C 1.702 177.561 175.800 0.097 0.000 1.154 313 F CA -0.695 57.297 58.000 -0.013 0.000 1.401 313 F CB -0.377 38.674 39.000 0.085 0.000 1.106 313 F HN 0.701 nan 8.300 nan 0.000 0.568 314 W N -2.049 119.451 121.300 0.333 0.000 3.077 314 W HA 0.087 4.744 4.660 -0.005 0.000 0.266 314 W C 0.577 177.267 176.519 0.285 0.000 1.300 314 W CA -0.883 56.625 57.345 0.271 0.000 1.586 314 W CB -1.139 28.450 29.460 0.215 0.000 1.103 314 W HN 0.046 nan 8.180 nan 0.000 0.652 315 W N 6.726 127.910 121.300 -0.194 0.000 2.209 315 W HA 0.019 4.675 4.660 -0.007 0.000 0.344 315 W C -1.199 175.359 176.519 0.065 0.000 1.285 315 W CA -1.030 56.256 57.345 -0.097 0.000 1.267 315 W CB 0.688 29.974 29.460 -0.289 0.000 1.167 315 W HN -0.315 nan 8.180 nan 0.000 0.574 316 P HA -0.087 nan 4.420 nan 0.000 0.235 316 P C -0.375 176.658 177.300 -0.445 0.000 1.177 316 P CA 1.361 63.687 63.100 -1.290 0.000 0.785 316 P CB 0.243 30.988 31.700 -1.592 0.000 0.885 317 H N 0.208 119.342 119.070 0.106 0.000 2.581 317 H HA 0.255 4.807 4.556 -0.006 0.000 0.308 317 H C 1.172 176.695 175.328 0.324 0.000 1.040 317 H CA -0.373 55.786 56.048 0.186 0.000 1.231 317 H CB 1.927 31.727 29.762 0.065 0.000 1.396 317 H HN -0.012 nan 8.280 nan 0.000 0.467 318 R N 2.369 123.032 120.500 0.271 0.000 2.092 318 R HA -0.105 4.231 4.340 -0.006 0.000 0.231 318 R C 1.606 177.820 176.300 -0.144 0.000 1.119 318 R CA 0.830 56.758 56.100 -0.286 0.000 0.970 318 R CB 0.049 29.881 30.300 -0.780 0.000 0.864 318 R HN 0.429 nan 8.270 nan 0.000 0.440 319 I N 0.728 121.285 120.570 -0.023 0.000 2.423 319 I HA -0.173 3.993 4.170 -0.006 0.000 0.254 319 I C 0.704 176.840 176.117 0.033 0.000 1.151 319 I CA 1.466 62.758 61.300 -0.013 0.000 1.421 319 I CB -0.083 37.917 38.000 -0.000 0.000 1.079 319 I HN -0.012 nan 8.210 nan 0.000 0.431 320 T N 1.269 115.883 114.554 0.101 0.000 2.947 320 T HA 0.343 4.689 4.350 -0.006 0.000 0.337 320 T C -1.797 173.025 174.700 0.204 0.000 1.139 320 T CA -1.915 60.260 62.100 0.126 0.000 0.992 320 T CB 0.818 69.755 68.868 0.115 0.000 1.043 320 T HN -0.042 nan 8.240 nan 0.000 0.498 321 P HA 0.025 nan 4.420 nan 0.000 0.214 321 P C -1.431 176.037 177.300 0.280 0.000 1.162 321 P CA 0.921 64.183 63.100 0.271 0.000 0.874 321 P CB -0.655 31.167 31.700 0.203 0.000 0.784 322 P HA -0.094 nan 4.420 nan 0.000 0.217 322 P C 0.196 177.597 177.300 0.169 0.000 1.150 322 P CA 1.388 64.587 63.100 0.166 0.000 0.832 322 P CB -0.263 31.505 31.700 0.114 0.000 0.787 323 E N 0.087 120.389 120.200 0.168 0.000 2.316 323 E HA 0.530 4.876 4.350 -0.006 0.000 0.275 323 E C 0.588 177.313 176.600 0.209 0.000 1.029 323 E CA 0.132 56.626 56.400 0.158 0.000 0.871 323 E CB 0.320 30.095 29.700 0.126 0.000 1.022 323 E HN 0.150 nan 8.360 nan 0.000 0.418 324 G N 1.397 110.311 108.800 0.190 0.000 2.692 324 G HA2 0.162 4.119 3.960 -0.006 0.000 0.291 324 G HA3 0.162 4.119 3.960 -0.006 0.000 0.291 324 G C 0.094 175.109 174.900 0.191 0.000 1.423 324 G CA -0.514 44.723 45.100 0.228 0.000 0.843 324 G HN 0.404 nan 8.290 nan 0.000 0.486 325 E N 0.156 120.492 120.200 0.228 0.000 2.047 325 E HA -0.113 4.233 4.350 -0.006 0.000 0.191 325 E C 2.515 179.264 176.600 0.248 0.000 0.987 325 E CA 1.396 57.927 56.400 0.219 0.000 0.799 325 E CB -0.121 29.768 29.700 0.315 0.000 0.752 325 E HN 0.226 nan 8.360 nan 0.000 0.449 326 V N 1.610 121.714 119.914 0.317 0.000 2.515 326 V HA -0.216 3.900 4.120 -0.006 0.000 0.250 326 V C 2.529 178.719 176.094 0.160 0.000 1.058 326 V CA 1.328 63.789 62.300 0.268 0.000 1.064 326 V CB -0.433 31.603 31.823 0.355 0.000 0.675 326 V HN 0.255 nan 8.190 nan 0.000 0.461 327 I N 0.058 120.723 120.570 0.159 0.000 2.493 327 I HA -0.176 3.990 4.170 -0.006 0.000 0.254 327 I C 2.376 178.533 176.117 0.066 0.000 1.160 327 I CA 1.450 62.800 61.300 0.084 0.000 1.445 327 I CB -0.566 37.494 38.000 0.100 0.000 1.086 327 I HN 0.320 nan 8.210 nan 0.000 0.433 328 T N 0.269 114.875 114.554 0.087 0.000 2.851 328 T HA -0.032 4.314 4.350 -0.006 0.000 0.262 328 T C 2.054 176.783 174.700 0.048 0.000 1.043 328 T CA 0.713 62.851 62.100 0.064 0.000 1.140 328 T CB -0.064 68.847 68.868 0.071 0.000 0.872 328 T HN 0.185 nan 8.240 nan 0.000 0.446 329 R N 1.216 121.752 120.500 0.061 0.000 2.081 329 R HA 0.090 4.427 4.340 -0.006 0.000 0.235 329 R C 2.416 178.721 176.300 0.007 0.000 1.131 329 R CA 0.946 57.068 56.100 0.038 0.000 0.960 329 R CB -1.132 29.198 30.300 0.050 0.000 0.856 329 R HN 0.407 nan 8.270 nan 0.000 0.436 330 L N 0.626 121.851 121.223 0.003 0.000 2.093 330 L HA -0.089 4.247 4.340 -0.006 0.000 0.208 330 L C 2.668 179.524 176.870 -0.024 0.000 1.085 330 L CA 1.158 55.984 54.840 -0.024 0.000 0.755 330 L CB -0.423 41.613 42.059 -0.038 0.000 0.904 330 L HN 0.158 nan 8.230 nan 0.000 0.435 331 K N 0.081 120.475 120.400 -0.009 0.000 2.097 331 K HA -0.186 4.130 4.320 -0.006 0.000 0.206 331 K C 2.155 178.749 176.600 -0.009 0.000 1.049 331 K CA 1.969 58.250 56.287 -0.009 0.000 0.933 331 K CB 0.002 32.505 32.500 0.005 0.000 0.717 331 K HN 0.440 nan 8.250 nan 0.000 0.442 332 T N -3.956 110.596 114.554 -0.003 0.000 2.852 332 T HA 0.144 4.490 4.350 -0.006 0.000 0.256 332 T C 1.495 176.187 174.700 -0.013 0.000 1.038 332 T CA 1.030 63.128 62.100 -0.005 0.000 1.141 332 T CB 0.248 69.117 68.868 0.003 0.000 0.869 332 T HN 0.352 nan 8.240 nan 0.000 0.439 333 G N 0.016 108.805 108.800 -0.018 0.000 2.370 333 G HA2 0.131 4.088 3.960 -0.006 0.000 0.174 333 G HA3 0.131 4.088 3.960 -0.006 0.000 0.174 333 G C 1.089 175.968 174.900 -0.034 0.000 1.002 333 G CA 0.238 45.322 45.100 -0.028 0.000 0.730 333 G HN 0.825 nan 8.290 nan 0.000 0.497 334 A N -0.334 122.469 122.820 -0.030 0.000 1.933 334 A HA 0.528 4.844 4.320 -0.006 0.000 0.218 334 A C 1.152 178.695 177.584 -0.069 0.000 1.175 334 A CA 1.287 53.300 52.037 -0.040 0.000 0.628 334 A CB -0.104 18.881 19.000 -0.025 0.000 0.814 334 A HN 0.674 nan 8.150 nan 0.000 0.444 335 L N -1.459 119.723 121.223 -0.068 0.000 2.341 335 L HA 0.590 4.926 4.340 -0.006 0.000 0.267 335 L C -0.769 176.053 176.870 -0.080 0.000 1.009 335 L CA -1.017 53.766 54.840 -0.096 0.000 0.819 335 L CB 2.296 44.292 42.059 -0.104 0.000 1.323 335 L HN 0.458 nan 8.230 nan 0.000 0.425 336 C N -0.137 119.109 119.300 -0.090 0.000 3.046 336 C HA 0.741 5.197 4.460 -0.006 0.000 0.388 336 C C -0.021 174.922 174.990 -0.078 0.000 1.041 336 C CA -1.117 57.855 59.018 -0.078 0.000 1.241 336 C CB 0.594 28.293 27.740 -0.069 0.000 1.638 336 C HN 0.946 nan 8.230 nan 0.000 0.539 337 A N 3.292 126.068 122.820 -0.075 0.000 2.671 337 A HA 0.614 4.930 4.320 -0.006 0.000 0.306 337 A C 0.357 177.907 177.584 -0.058 0.000 1.473 337 A CA 0.087 52.085 52.037 -0.065 0.000 1.155 337 A CB -0.092 18.868 19.000 -0.067 0.000 1.123 337 A HN 0.910 nan 8.150 nan 0.000 0.545 338 R N 2.377 122.848 120.500 -0.049 0.000 2.337 338 R HA 0.502 4.838 4.340 -0.006 0.000 0.319 338 R C 0.895 177.180 176.300 -0.025 0.000 0.954 338 R CA 0.641 56.717 56.100 -0.040 0.000 0.840 338 R CB 0.509 30.784 30.300 -0.042 0.000 1.164 338 R HN 1.309 nan 8.270 nan 0.000 0.472 339 G N 3.402 112.191 108.800 -0.018 0.000 2.176 339 G HA2 -0.255 3.702 3.960 -0.006 0.000 0.253 339 G HA3 -0.255 3.702 3.960 -0.006 0.000 0.253 339 G C -0.001 174.906 174.900 0.012 0.000 0.979 339 G CA 0.022 45.121 45.100 -0.002 0.000 0.641 339 G HN 0.467 nan 8.290 nan 0.000 0.530 340 L N 0.882 122.108 121.223 0.005 0.000 2.395 340 L HA 0.543 4.880 4.340 -0.006 0.000 0.269 340 L C 0.931 177.823 176.870 0.037 0.000 1.133 340 L CA -0.668 54.185 54.840 0.022 0.000 0.812 340 L CB 0.701 42.765 42.059 0.008 0.000 1.125 340 L HN 0.130 nan 8.230 nan 0.000 0.452 341 R N 4.289 124.832 120.500 0.072 0.000 2.343 341 R HA 0.653 4.989 4.340 -0.006 0.000 0.320 341 R C -1.067 175.319 176.300 0.143 0.000 0.956 341 R CA -0.555 55.627 56.100 0.137 0.000 0.836 341 R CB 1.489 31.905 30.300 0.194 0.000 1.151 341 R HN 0.516 nan 8.270 nan 0.000 0.450 342 I N 2.685 123.365 120.570 0.182 0.000 2.466 342 I HA 0.293 4.459 4.170 -0.006 0.000 0.289 342 I C -0.412 175.876 176.117 0.285 0.000 1.026 342 I CA -1.261 60.137 61.300 0.164 0.000 1.078 342 I CB 2.406 40.461 38.000 0.092 0.000 1.249 342 I HN 0.221 nan 8.210 nan 0.000 0.429 343 V N 6.915 126.940 119.914 0.184 0.000 2.370 343 V HA 0.350 4.467 4.120 -0.006 0.000 0.279 343 V C -0.443 175.705 176.094 0.090 0.000 1.029 343 V CA -0.518 61.874 62.300 0.154 0.000 0.870 343 V CB 1.760 33.570 31.823 -0.020 0.000 0.984 343 V HN 0.382 nan 8.190 nan 0.000 0.451 344 L N 5.533 126.818 121.223 0.103 0.000 2.345 344 L HA 0.556 4.892 4.340 -0.006 0.000 0.274 344 L C -0.251 176.484 176.870 -0.226 0.000 0.999 344 L CA 0.157 55.026 54.840 0.048 0.000 0.849 344 L CB 1.369 43.574 42.059 0.243 0.000 1.220 344 L HN 0.796 nan 8.230 nan 0.000 0.422 345 E N 4.092 124.172 120.200 -0.200 0.000 2.207 345 E HA 0.880 5.226 4.350 -0.006 0.000 0.270 345 E C -1.577 174.912 176.600 -0.185 0.000 0.927 345 E CA -0.757 55.474 56.400 -0.281 0.000 0.799 345 E CB 1.887 31.493 29.700 -0.157 0.000 1.172 345 E HN 0.706 nan 8.360 nan 0.000 0.404 346 A N 2.433 125.150 122.820 -0.171 0.000 2.594 346 A HA 0.630 4.947 4.320 -0.006 0.000 0.296 346 A C -0.645 177.072 177.584 0.222 0.000 1.061 346 A CA -0.248 51.843 52.037 0.090 0.000 0.689 346 A CB 1.441 20.528 19.000 0.146 0.000 1.280 346 A HN 0.640 nan 8.150 nan 0.000 0.406 347 G N -0.382 108.570 108.800 0.254 0.000 2.412 347 G HA2 0.573 4.529 3.960 -0.006 0.000 0.318 347 G HA3 0.573 4.529 3.960 -0.006 0.000 0.318 347 G C 0.879 175.806 174.900 0.044 0.000 1.146 347 G CA 0.090 45.272 45.100 0.137 0.000 0.882 347 G HN 1.855 nan 8.290 nan 0.000 0.501 348 V N -0.504 119.289 119.914 -0.201 0.000 3.141 348 V HA 0.078 4.194 4.120 -0.006 0.000 0.265 348 V C 1.671 177.641 176.094 -0.207 0.000 1.126 348 V CA 0.613 62.616 62.300 -0.495 0.000 1.141 348 V CB -0.430 31.134 31.823 -0.432 0.000 0.743 348 V HN 0.476 nan 8.190 nan 0.000 0.492 349 R N 2.116 122.577 120.500 -0.066 0.000 2.391 349 R HA 0.219 4.556 4.340 -0.006 0.000 0.249 349 R C 0.338 176.623 176.300 -0.025 0.000 0.957 349 R CA 0.394 56.481 56.100 -0.021 0.000 1.093 349 R CB -0.379 29.948 30.300 0.045 0.000 1.156 349 R HN 0.954 nan 8.270 nan 0.000 0.526 350 E N -1.144 119.073 120.200 0.028 0.000 3.666 350 E HA 0.252 4.598 4.350 -0.006 0.000 0.230 350 E C -2.483 174.248 176.600 0.218 0.000 1.235 350 E CA -1.798 54.660 56.400 0.097 0.000 1.096 350 E CB 1.220 30.976 29.700 0.092 0.000 1.287 350 E HN -0.203 nan 8.360 nan 0.000 0.406 351 P HA -0.235 nan 4.420 nan 0.000 0.217 351 P C 1.328 178.792 177.300 0.274 0.000 1.162 351 P CA 1.297 64.521 63.100 0.207 0.000 0.901 351 P CB 0.185 31.957 31.700 0.119 0.000 0.793 352 I N -1.327 119.367 120.570 0.206 0.000 2.127 352 I HA -0.231 3.935 4.170 -0.006 0.000 0.241 352 I C 2.307 178.618 176.117 0.323 0.000 1.075 352 I CA 1.559 62.972 61.300 0.188 0.000 1.334 352 I CB -0.927 37.090 38.000 0.029 0.000 1.040 352 I HN -0.171 nan 8.210 nan 0.000 0.405 353 V N 0.624 120.768 119.914 0.383 0.000 2.295 353 V HA -0.311 3.805 4.120 -0.006 0.000 0.246 353 V C 2.288 178.661 176.094 0.465 0.000 1.049 353 V CA 1.998 64.603 62.300 0.509 0.000 1.024 353 V CB -0.763 31.361 31.823 0.501 0.000 0.648 353 V HN 0.339 nan 8.190 nan 0.000 0.447 354 F N 0.911 121.033 119.950 0.287 0.000 2.095 354 F HA -0.255 4.269 4.527 -0.004 0.000 0.298 354 F C 2.587 178.576 175.800 0.316 0.000 1.104 354 F CA 2.148 60.321 58.000 0.288 0.000 1.232 354 F CB -0.318 38.816 39.000 0.222 0.000 0.987 354 F HN 0.144 nan 8.300 nan 0.000 0.475 355 Q N -0.125 119.888 119.800 0.355 0.000 2.124 355 Q HA -0.179 4.158 4.340 -0.006 0.000 0.202 355 Q C 2.456 178.560 176.000 0.173 0.000 0.977 355 Q CA 1.420 57.350 55.803 0.211 0.000 0.850 355 Q CB -0.513 28.366 28.738 0.236 0.000 0.901 355 Q HN 0.553 nan 8.270 nan 0.000 0.429 356 A N 1.515 124.499 122.820 0.275 0.000 1.902 356 A HA -0.204 4.112 4.320 -0.006 0.000 0.217 356 A C 1.769 179.516 177.584 0.273 0.000 1.181 356 A CA 1.470 53.695 52.037 0.315 0.000 0.623 356 A CB -0.548 18.735 19.000 0.473 0.000 0.818 356 A HN 0.352 nan 8.150 nan 0.000 0.443 357 N N -0.570 118.315 118.700 0.308 0.000 2.309 357 N HA -0.150 4.587 4.740 -0.006 0.000 0.182 357 N C 1.931 177.589 175.510 0.247 0.000 1.018 357 N CA 1.268 54.517 53.050 0.331 0.000 0.876 357 N CB -0.166 38.569 38.487 0.413 0.000 0.972 357 N HN 0.654 nan 8.380 nan 0.000 0.434 358 Q N 0.756 120.566 119.800 0.016 0.000 2.046 358 Q HA -0.028 4.308 4.340 -0.006 0.000 0.200 358 Q C 2.216 178.133 176.000 -0.138 0.000 0.975 358 Q CA 1.359 56.977 55.803 -0.308 0.000 0.836 358 Q CB -0.106 28.434 28.738 -0.330 0.000 0.896 358 Q HN 0.338 nan 8.270 nan 0.000 0.428 359 A N 0.908 123.708 122.820 -0.033 0.000 1.902 359 A HA -0.183 4.133 4.320 -0.006 0.000 0.217 359 A C 2.041 179.608 177.584 -0.027 0.000 1.181 359 A CA 1.175 53.206 52.037 -0.010 0.000 0.623 359 A CB -0.613 18.411 19.000 0.041 0.000 0.818 359 A HN 0.348 nan 8.150 nan 0.000 0.443 360 L N -1.538 119.664 121.223 -0.034 0.000 2.046 360 L HA -0.147 4.190 4.340 -0.006 0.000 0.208 360 L C 2.272 179.079 176.870 -0.106 0.000 1.077 360 L CA 2.407 57.169 54.840 -0.130 0.000 0.747 360 L CB -1.032 40.810 42.059 -0.363 0.000 0.896 360 L HN 0.529 nan 8.230 nan 0.000 0.432 361 Y N 0.200 120.400 120.300 -0.167 0.000 2.128 361 Y HA -0.248 4.298 4.550 -0.005 0.000 0.284 361 Y C 2.410 178.199 175.900 -0.186 0.000 1.154 361 Y CA 2.162 60.155 58.100 -0.177 0.000 1.149 361 Y CB -0.554 37.689 38.460 -0.362 0.000 0.976 361 Y HN 0.256 nan 8.280 nan 0.000 0.505 362 A N 0.291 123.067 122.820 -0.074 0.000 1.908 362 A HA -0.234 4.083 4.320 -0.006 0.000 0.218 362 A C 2.124 179.606 177.584 -0.171 0.000 1.181 362 A CA 1.842 53.808 52.037 -0.117 0.000 0.627 362 A CB -0.682 18.285 19.000 -0.054 0.000 0.818 362 A HN 0.577 nan 8.150 nan 0.000 0.445 363 Q N -0.440 119.277 119.800 -0.139 0.000 2.002 363 Q HA -0.188 4.148 4.340 -0.006 0.000 0.204 363 Q C 2.141 178.047 176.000 -0.156 0.000 0.988 363 Q CA 1.962 57.693 55.803 -0.121 0.000 0.843 363 Q CB -0.653 28.032 28.738 -0.089 0.000 0.908 363 Q HN 0.790 nan 8.270 nan 0.000 0.420 364 L N -0.466 120.638 121.223 -0.198 0.000 2.418 364 L HA 0.133 4.470 4.340 -0.006 0.000 0.218 364 L C 0.759 177.471 176.870 -0.263 0.000 1.125 364 L CA 0.508 55.228 54.840 -0.200 0.000 0.835 364 L CB -1.223 40.729 42.059 -0.179 0.000 0.953 364 L HN -0.064 nan 8.230 nan 0.000 0.454 365 N N 1.865 120.320 118.700 -0.408 0.000 2.383 365 N HA 0.041 4.777 4.740 -0.006 0.000 0.295 365 N C 0.077 175.427 175.510 -0.266 0.000 1.281 365 N CA 0.767 53.534 53.050 -0.472 0.000 1.048 365 N CB -0.264 37.755 38.487 -0.779 0.000 1.455 365 N HN 0.676 nan 8.380 nan 0.000 0.488 366 T N -1.334 113.102 114.554 -0.198 0.000 2.807 366 T HA 0.383 4.730 4.350 -0.006 0.000 0.277 366 T C 0.983 175.614 174.700 -0.115 0.000 1.006 366 T CA -0.674 61.346 62.100 -0.133 0.000 1.006 366 T CB 0.798 69.602 68.868 -0.107 0.000 1.274 366 T HN 0.095 nan 8.240 nan 0.000 0.569 367 S N -0.055 115.595 115.700 -0.085 0.000 2.470 367 S HA -0.008 4.458 4.470 -0.006 0.000 0.225 367 S C 1.521 176.083 174.600 -0.064 0.000 1.006 367 S CA 0.429 58.587 58.200 -0.070 0.000 0.934 367 S CB -0.340 62.828 63.200 -0.052 0.000 0.778 367 S HN 0.642 nan 8.310 nan 0.000 0.517 368 Q N 1.744 121.505 119.800 -0.064 0.000 2.387 368 Q HA 0.147 4.483 4.340 -0.006 0.000 0.211 368 Q C 0.438 176.405 176.000 -0.055 0.000 0.952 368 Q CA 0.206 55.977 55.803 -0.053 0.000 0.957 368 Q CB -0.117 28.591 28.738 -0.050 0.000 1.002 368 Q HN 0.551 nan 8.270 nan 0.000 0.502 369 Q N -2.476 117.282 119.800 -0.069 0.000 2.578 369 Q HA 0.386 4.723 4.340 -0.006 0.000 0.284 369 Q C -1.301 174.644 176.000 -0.092 0.000 0.960 369 Q CA -0.563 55.201 55.803 -0.065 0.000 0.809 369 Q CB 0.605 29.303 28.738 -0.066 0.000 1.462 369 Q HN -0.097 nan 8.270 nan 0.000 0.392 370 S N 2.103 117.751 115.700 -0.086 0.000 2.420 370 S HA 0.594 5.060 4.470 -0.006 0.000 0.313 370 S C -0.022 174.443 174.600 -0.226 0.000 1.079 370 S CA -0.621 57.470 58.200 -0.182 0.000 1.104 370 S CB 0.125 63.249 63.200 -0.127 0.000 0.969 370 S HN 0.438 nan 8.310 nan 0.000 0.471 371 I N 3.450 123.849 120.570 -0.286 0.000 2.433 371 I HA 0.429 4.595 4.170 -0.006 0.000 0.292 371 I C -0.952 175.052 176.117 -0.187 0.000 1.001 371 I CA -0.801 60.430 61.300 -0.115 0.000 1.119 371 I CB 1.031 39.029 38.000 -0.003 0.000 1.289 371 I HN 0.468 nan 8.210 nan 0.000 0.438 372 F N 5.119 125.176 119.950 0.179 0.000 2.347 372 F HA 0.266 4.789 4.527 -0.007 0.000 0.366 372 F C 0.114 176.033 175.800 0.198 0.000 1.107 372 F CA -0.590 57.507 58.000 0.162 0.000 1.058 372 F CB 1.072 40.114 39.000 0.068 0.000 1.236 372 F HN 0.489 nan 8.300 nan 0.000 0.456 373 W N 6.015 127.406 121.300 0.152 0.000 2.322 373 W HA 0.438 5.093 4.660 -0.008 0.000 0.307 373 W C -0.829 175.712 176.519 0.036 0.000 1.220 373 W CA -0.627 56.719 57.345 0.002 0.000 1.210 373 W CB 0.903 30.164 29.460 -0.330 0.000 1.223 373 W HN 0.337 nan 8.180 nan 0.000 0.511 374 R N 5.135 125.264 120.500 -0.617 0.000 2.451 374 R HA 0.231 4.568 4.340 -0.006 0.000 0.307 374 R C -0.468 175.502 176.300 -0.550 0.000 0.965 374 R CA -0.664 55.193 56.100 -0.406 0.000 0.865 374 R CB 1.895 32.071 30.300 -0.208 0.000 1.174 374 R HN 0.606 nan 8.270 nan 0.000 0.455 375 Q N 1.490 121.134 119.800 -0.261 0.000 2.241 375 Q HA 0.524 4.861 4.340 -0.006 0.000 0.254 375 Q C -0.415 175.583 176.000 -0.004 0.000 0.917 375 Q CA -0.749 55.042 55.803 -0.020 0.000 0.919 375 Q CB 2.524 31.407 28.738 0.242 0.000 1.237 375 Q HN 0.194 nan 8.270 nan 0.000 0.434 376 V N 1.724 121.646 119.914 0.014 0.000 2.540 376 V HA 0.110 4.226 4.120 -0.006 0.000 0.302 376 V C -0.481 175.606 176.094 -0.013 0.000 1.035 376 V CA -0.813 61.479 62.300 -0.014 0.000 0.873 376 V CB 1.904 33.711 31.823 -0.027 0.000 0.992 376 V HN 0.712 nan 8.190 nan 0.000 0.428 377 D N 3.490 123.882 120.400 -0.014 0.000 2.508 377 D HA 0.537 5.173 4.640 -0.006 0.000 0.224 377 D C 0.300 176.604 176.300 0.008 0.000 1.171 377 D CA 0.944 54.962 54.000 0.031 0.000 1.006 377 D CB 0.286 41.124 40.800 0.065 0.000 1.073 377 D HN 0.855 nan 8.370 nan 0.000 0.513 378 G N 0.480 109.285 108.800 0.008 0.000 2.325 378 G HA2 0.526 4.482 3.960 -0.006 0.000 0.295 378 G HA3 0.526 4.482 3.960 -0.006 0.000 0.295 378 G C -0.401 174.482 174.900 -0.027 0.000 1.274 378 G CA -0.181 44.870 45.100 -0.082 0.000 0.857 378 G HN 0.538 nan 8.290 nan 0.000 0.499 379 G N -1.967 106.775 108.800 -0.097 0.000 3.247 379 G HA2 0.463 4.420 3.960 -0.006 0.000 0.199 379 G HA3 0.463 4.420 3.960 -0.006 0.000 0.199 379 G C -0.865 173.957 174.900 -0.131 0.000 1.172 379 G CA -0.327 44.715 45.100 -0.096 0.000 0.844 379 G HN 0.862 nan 8.290 nan 0.000 0.619 380 H N 0.997 119.887 119.070 -0.299 0.000 3.195 380 H HA 0.412 4.965 4.556 -0.006 0.000 0.241 380 H C -1.060 173.943 175.328 -0.541 0.000 1.823 380 H CA 0.124 56.063 56.048 -0.181 0.000 1.466 380 H CB -0.266 29.336 29.762 -0.266 0.000 1.819 380 H HN 0.190 nan 8.280 nan 0.000 0.575 381 D N 1.832 121.596 120.400 -1.061 0.000 2.788 381 D HA 0.215 4.852 4.640 -0.006 0.000 0.247 381 D C 0.686 176.012 176.300 -1.624 0.000 1.236 381 D CA -0.259 53.097 54.000 -1.073 0.000 0.898 381 D CB 1.461 41.920 40.800 -0.567 0.000 1.401 381 D HN 0.454 nan 8.370 nan 0.000 0.549 382 A N 3.506 125.560 122.820 -1.276 0.000 2.070 382 A HA -0.137 4.179 4.320 -0.006 0.000 0.220 382 A C 1.906 179.298 177.584 -0.320 0.000 1.159 382 A CA 0.829 52.463 52.037 -0.671 0.000 0.656 382 A CB -0.252 18.485 19.000 -0.439 0.000 0.800 382 A HN 0.561 nan 8.150 nan 0.000 0.453 383 L N -0.579 120.444 121.223 -0.334 0.000 2.083 383 L HA -0.152 4.184 4.340 -0.006 0.000 0.209 383 L C 2.340 178.979 176.870 -0.386 0.000 1.083 383 L CA 2.183 56.811 54.840 -0.353 0.000 0.752 383 L CB -0.611 41.328 42.059 -0.199 0.000 0.899 383 L HN 0.459 nan 8.230 nan 0.000 0.433 384 C N -1.735 117.324 119.300 -0.401 0.000 2.486 384 C HA -0.078 4.378 4.460 -0.006 0.000 0.279 384 C C 2.398 177.309 174.990 -0.131 0.000 1.302 384 C CA -0.178 58.655 59.018 -0.309 0.000 1.720 384 C CB -1.291 26.255 27.740 -0.323 0.000 2.030 384 C HN 0.729 nan 8.230 nan 0.000 0.490 385 W N 2.424 123.637 121.300 -0.146 0.000 2.342 385 W HA -0.136 4.520 4.660 -0.006 0.000 0.297 385 W C 2.623 179.068 176.519 -0.123 0.000 1.213 385 W CA 1.432 58.723 57.345 -0.090 0.000 1.251 385 W CB -1.276 28.196 29.460 0.021 0.000 1.136 385 W HN 0.518 nan 8.180 nan 0.000 0.526 386 R N 0.545 121.086 120.500 0.068 0.000 2.117 386 R HA -0.105 4.231 4.340 -0.006 0.000 0.243 386 R C 2.333 178.489 176.300 -0.241 0.000 1.143 386 R CA 2.078 58.025 56.100 -0.255 0.000 0.968 386 R CB -1.442 28.306 30.300 -0.921 0.000 0.863 386 R HN 0.082 nan 8.270 nan 0.000 0.444 387 G N 0.039 108.686 108.800 -0.255 0.000 2.408 387 G HA2 -0.101 3.855 3.960 -0.006 0.000 0.215 387 G HA3 -0.101 3.855 3.960 -0.006 0.000 0.215 387 G C 1.536 176.424 174.900 -0.020 0.000 1.156 387 G CA 0.415 45.469 45.100 -0.077 0.000 0.793 387 G HN 0.491 nan 8.290 nan 0.000 0.535 388 G N 0.414 109.188 108.800 -0.043 0.000 2.484 388 G HA2 -0.054 3.902 3.960 -0.006 0.000 0.218 388 G HA3 -0.054 3.902 3.960 -0.006 0.000 0.218 388 G C 1.640 176.484 174.900 -0.093 0.000 1.130 388 G CA 0.408 45.475 45.100 -0.054 0.000 0.784 388 G HN 0.389 nan 8.290 nan 0.000 0.543 389 L N 1.144 122.299 121.223 -0.114 0.000 2.005 389 L HA -0.093 4.244 4.340 -0.006 0.000 0.207 389 L C 3.316 180.096 176.870 -0.150 0.000 1.072 389 L CA 2.149 56.865 54.840 -0.208 0.000 0.744 389 L CB -0.498 41.325 42.059 -0.395 0.000 0.895 389 L HN 0.449 nan 8.230 nan 0.000 0.433 390 T N -3.583 110.943 114.554 -0.047 0.000 2.857 390 T HA -0.247 4.100 4.350 -0.006 0.000 0.266 390 T C 1.706 176.373 174.700 -0.054 0.000 1.048 390 T CA 1.202 63.279 62.100 -0.040 0.000 1.139 390 T CB -0.258 68.615 68.868 0.007 0.000 0.874 390 T HN 0.215 nan 8.240 nan 0.000 0.455 391 Q N 1.910 121.680 119.800 -0.051 0.000 2.119 391 Q HA 0.141 4.478 4.340 -0.006 0.000 0.201 391 Q C 2.453 178.371 176.000 -0.136 0.000 0.972 391 Q CA 1.977 57.736 55.803 -0.074 0.000 0.847 391 Q CB -1.164 27.537 28.738 -0.062 0.000 0.903 391 Q HN 0.617 nan 8.270 nan 0.000 0.433 392 G N 0.292 108.995 108.800 -0.162 0.000 2.422 392 G HA2 -0.088 3.869 3.960 -0.006 0.000 0.218 392 G HA3 -0.088 3.869 3.960 -0.006 0.000 0.218 392 G C 0.583 175.306 174.900 -0.296 0.000 1.146 392 G CA 0.504 45.468 45.100 -0.226 0.000 0.769 392 G HN 0.315 nan 8.290 nan 0.000 0.547 396 L N 0.102 121.086 121.223 -0.399 0.000 2.127 396 L HA -0.174 4.162 4.340 -0.006 0.000 0.211 396 L C 1.495 178.304 176.870 -0.102 0.000 1.089 396 L CA 1.673 56.342 54.840 -0.286 0.000 0.757 396 L CB -0.290 41.508 42.059 -0.435 0.000 0.899 396 L HN 0.445 nan 8.230 nan 0.000 0.434 397 W N -0.250 121.013 121.300 -0.062 0.000 3.239 397 W HA 0.154 4.811 4.660 -0.006 0.000 0.368 397 W C 2.040 178.545 176.519 -0.023 0.000 1.154 397 W CA -0.488 56.839 57.345 -0.029 0.000 1.860 397 W CB -0.493 28.951 29.460 -0.028 0.000 1.094 397 W HN 0.320 nan 8.180 nan 0.000 0.643 398 Q N 1.373 121.260 119.800 0.146 0.000 2.133 398 Q HA -0.208 4.128 4.340 -0.006 0.000 0.208 398 Q C -0.602 175.462 176.000 0.107 0.000 0.991 398 Q CA 2.296 58.156 55.803 0.096 0.000 0.867 398 Q CB -0.704 28.066 28.738 0.052 0.000 0.911 398 Q HN 0.042 nan 8.270 nan 0.000 0.417 399 P HA -0.158 nan 4.420 nan 0.000 0.215 399 P C 0.998 178.341 177.300 0.072 0.000 1.157 399 P CA 1.092 64.250 63.100 0.097 0.000 0.868 399 P CB -0.023 31.741 31.700 0.106 0.000 0.788 400 L N -1.214 120.054 121.223 0.074 0.000 2.027 400 L HA -0.116 4.220 4.340 -0.006 0.000 0.206 400 L C 2.490 179.366 176.870 0.010 0.000 1.074 400 L CA 1.621 56.471 54.840 0.016 0.000 0.745 400 L CB -1.485 40.544 42.059 -0.051 0.000 0.898 400 L HN -0.106 nan 8.230 nan 0.000 0.433 401 I N -0.115 120.477 120.570 0.037 0.000 2.315 401 I HA -0.316 3.851 4.170 -0.006 0.000 0.251 401 I C 1.779 177.914 176.117 0.029 0.000 1.125 401 I CA 1.124 62.444 61.300 0.033 0.000 1.392 401 I CB -0.517 37.523 38.000 0.067 0.000 1.065 401 I HN 0.296 nan 8.210 nan 0.000 0.424 402 D N 0.585 121.007 120.400 0.037 0.000 2.263 402 D HA -0.085 4.551 4.640 -0.006 0.000 0.208 402 D C 1.385 177.698 176.300 0.022 0.000 0.971 402 D CA 1.068 55.087 54.000 0.033 0.000 0.867 402 D CB -0.338 40.486 40.800 0.040 0.000 0.929 402 D HN 0.450 nan 8.370 nan 0.000 0.492 403 T N 0.000 114.563 114.554 0.015 0.000 3.816 403 T HA 0.000 4.346 4.350 -0.006 0.000 0.228 403 T CA 0.000 62.104 62.100 0.007 0.000 1.349 403 T CB 0.000 68.868 68.868 0.000 0.000 0.612 403 T HN 0.000 nan 8.240 nan 0.000 0.658