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 2de7_1_B DATA FIRST_RESID 1 DATA SEQUENCE MANVDEAILK RVKGWAPYVD AKLGFRNHWY PVMFSKEINE GEPKTLKLLG DATA SEQUENCE ENLLVNRIDG KLYCLKDRCL HRGVQLSVKV ECKTKSTITC WYHAWTYRWE DATA SEQUENCE DGVLCDILTN PTSAQIGRQK LKTYPVQEAK GCVFIYLGDG DPPPLARDTP DATA SEQUENCE PNFLDDDMEI LGKNQIIKSN WRLAVENGFD PSHIYIHKDS ILVKDNDLAL DATA SEQUENCE PLGFAPGGDR KQQTRVVDDD VVGRKGVYDL IGEHGVPVFE GTIGGEVVRE DATA SEQUENCE GAYGEKIVAN DISIWLPGVL KVNPFPNPDM MQFEWYVPID ENTHYYFQTL DATA SEQUENCE GKPCANDEER KKYEQEFESK WKPMALEGFN NDDIWAREAM VDFYADDKGW DATA SEQUENCE VNEILFESDE AIVAWRKLAS EHNQGIQTQA HVSGLEHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.335 176.300 0.058 0.000 1.140 1 M CA 0.000 55.345 55.300 0.075 0.000 0.988 1 M CB 0.000 32.667 32.600 0.111 0.000 1.302 2 A N 0.265 123.110 122.820 0.042 0.000 2.475 2 A HA -0.180 3.723 4.320 -0.695 0.000 0.295 2 A C 0.301 177.904 177.584 0.032 0.000 1.457 2 A CA 1.100 53.156 52.037 0.032 0.000 0.734 2 A CB -1.588 17.430 19.000 0.029 0.000 1.118 2 A HN 0.794 nan 8.150 nan 0.000 0.400 3 N N -1.262 117.455 118.700 0.028 0.000 2.250 3 N HA 0.240 4.563 4.740 -0.695 0.000 0.190 3 N C 0.098 175.622 175.510 0.023 0.000 1.116 3 N CA 1.043 54.109 53.050 0.027 0.000 0.881 3 N CB 0.803 39.305 38.487 0.025 0.000 1.006 3 N HN 0.519 nan 8.380 nan 0.000 0.491 4 V N 1.021 120.945 119.914 0.016 0.000 2.914 4 V HA 0.157 3.860 4.120 -0.695 0.000 0.314 4 V C -0.265 175.840 176.094 0.019 0.000 1.084 4 V CA -1.229 61.083 62.300 0.020 0.000 0.963 4 V CB 2.544 34.371 31.823 0.007 0.000 1.025 4 V HN -0.014 nan 8.190 nan 0.000 0.432 5 D N 1.881 122.295 120.400 0.024 0.000 2.583 5 D HA -0.090 4.133 4.640 -0.695 0.000 0.232 5 D C 1.022 177.329 176.300 0.012 0.000 1.128 5 D CA 0.510 54.521 54.000 0.018 0.000 0.859 5 D CB 1.220 42.032 40.800 0.020 0.000 1.169 5 D HN 0.695 nan 8.370 nan 0.000 0.481 6 E N 3.176 123.381 120.200 0.008 0.000 2.204 6 E HA -0.133 3.800 4.350 -0.695 0.000 0.195 6 E C 1.765 178.364 176.600 -0.003 0.000 0.990 6 E CA 1.470 57.871 56.400 0.002 0.000 0.821 6 E CB -0.232 29.470 29.700 0.002 0.000 0.750 6 E HN 0.562 nan 8.360 nan 0.000 0.477 7 A N 0.023 122.844 122.820 0.000 0.000 1.969 7 A HA -0.108 3.795 4.320 -0.695 0.000 0.218 7 A C 2.199 179.781 177.584 -0.003 0.000 1.169 7 A CA 1.196 53.231 52.037 -0.003 0.000 0.635 7 A CB -0.439 18.561 19.000 0.000 0.000 0.810 7 A HN 0.327 nan 8.150 nan 0.000 0.445 8 I N -0.584 119.990 120.570 0.006 0.000 2.333 8 I HA -0.154 3.599 4.170 -0.695 0.000 0.246 8 I C 2.226 178.340 176.117 -0.005 0.000 1.106 8 I CA 0.678 61.987 61.300 0.015 0.000 1.411 8 I CB -0.249 37.777 38.000 0.044 0.000 1.082 8 I HN 0.259 nan 8.210 nan 0.000 0.420 9 L N 0.801 122.016 121.223 -0.013 0.000 2.083 9 L HA -0.236 3.687 4.340 -0.695 0.000 0.209 9 L C 2.577 179.414 176.870 -0.055 0.000 1.083 9 L CA 1.435 56.254 54.840 -0.036 0.000 0.752 9 L CB -0.629 41.415 42.059 -0.024 0.000 0.899 9 L HN 0.256 nan 8.230 nan 0.000 0.433 10 K N 0.367 120.742 120.400 -0.041 0.000 2.209 10 K HA -0.165 3.738 4.320 -0.695 0.000 0.204 10 K C 2.228 178.788 176.600 -0.066 0.000 1.048 10 K CA 1.091 57.349 56.287 -0.048 0.000 0.940 10 K CB 0.117 32.598 32.500 -0.031 0.000 0.729 10 K HN 0.231 nan 8.250 nan 0.000 0.451 11 R N 0.129 120.591 120.500 -0.063 0.000 2.093 11 R HA -0.012 3.911 4.340 -0.695 0.000 0.224 11 R C 0.994 177.209 176.300 -0.142 0.000 1.101 11 R CA 1.017 57.073 56.100 -0.074 0.000 0.979 11 R CB 0.254 30.532 30.300 -0.036 0.000 0.877 11 R HN 0.095 nan 8.270 nan 0.000 0.441 12 V N -0.029 119.773 119.914 -0.187 0.000 2.135 12 V HA 0.190 3.893 4.120 -0.695 0.000 0.287 12 V C 0.623 176.432 176.094 -0.476 0.000 1.607 12 V CA -0.247 61.809 62.300 -0.405 0.000 1.585 12 V CB 0.342 31.940 31.823 -0.374 0.000 1.470 12 V HN 0.109 nan 8.190 nan 0.000 0.513 13 K N 2.277 122.465 120.400 -0.354 0.000 2.218 13 K HA -0.083 3.820 4.320 -0.695 0.000 0.205 13 K C 2.081 178.505 176.600 -0.292 0.000 1.046 13 K CA 1.577 57.708 56.287 -0.260 0.000 0.933 13 K CB -0.181 32.212 32.500 -0.178 0.000 0.728 13 K HN 0.737 nan 8.250 nan 0.000 0.454 14 G N 0.667 109.161 108.800 -0.509 0.000 2.511 14 G HA2 -0.136 3.407 3.960 -0.695 0.000 0.217 14 G HA3 -0.136 3.407 3.960 -0.695 0.000 0.217 14 G C 0.352 175.236 174.900 -0.027 0.000 1.133 14 G CA 0.435 45.345 45.100 -0.316 0.000 0.792 14 G HN 0.554 nan 8.290 nan 0.000 0.539 15 W N -2.490 118.794 121.300 -0.027 0.000 0.713 15 W HA 0.728 4.984 4.660 -0.673 0.000 0.303 15 W C 0.782 177.291 176.519 -0.016 0.000 0.842 15 W CA -0.949 56.371 57.345 -0.042 0.000 1.488 15 W CB -0.298 29.112 29.460 -0.085 0.000 1.267 15 W HN 0.045 nan 8.180 nan 0.000 0.498 16 A N 1.071 123.886 122.820 -0.008 0.000 1.908 16 A HA -0.049 3.854 4.320 -0.695 0.000 0.218 16 A C -0.278 177.337 177.584 0.053 0.000 1.181 16 A CA 2.084 54.112 52.037 -0.014 0.000 0.627 16 A CB -1.442 17.527 19.000 -0.051 0.000 0.818 16 A HN 0.283 nan 8.150 nan 0.000 0.445 17 P HA -0.175 nan 4.420 nan 0.000 0.216 17 P C 1.430 178.862 177.300 0.219 0.000 1.150 17 P CA 1.210 64.397 63.100 0.145 0.000 0.837 17 P CB -0.161 31.622 31.700 0.138 0.000 0.786 18 Y N 0.283 120.638 120.300 0.091 0.000 2.145 18 Y HA -0.182 3.938 4.550 -0.717 0.000 0.286 18 Y C 2.054 177.809 175.900 -0.242 0.000 1.145 18 Y CA 1.330 59.435 58.100 0.009 0.000 1.148 18 Y CB -0.993 37.406 38.460 -0.101 0.000 0.981 18 Y HN -0.296 nan 8.280 nan 0.000 0.507 19 V N 0.397 120.161 119.914 -0.250 0.000 2.490 19 V HA -0.253 3.450 4.120 -0.695 0.000 0.250 19 V C 1.916 177.766 176.094 -0.407 0.000 1.061 19 V CA 2.235 64.156 62.300 -0.632 0.000 1.064 19 V CB -0.652 30.944 31.823 -0.379 0.000 0.670 19 V HN 0.382 nan 8.190 nan 0.000 0.461 20 D N 0.484 120.777 120.400 -0.178 0.000 2.234 20 D HA -0.003 4.220 4.640 -0.695 0.000 0.205 20 D C 1.547 177.802 176.300 -0.075 0.000 0.962 20 D CA 0.874 54.824 54.000 -0.084 0.000 0.855 20 D CB -0.092 40.705 40.800 -0.005 0.000 0.951 20 D HN 0.403 nan 8.370 nan 0.000 0.500 21 A N 0.656 123.405 122.820 -0.118 0.000 2.958 21 A HA 0.051 3.954 4.320 -0.695 0.000 0.247 21 A C 1.634 179.183 177.584 -0.058 0.000 1.679 21 A CA -0.069 51.893 52.037 -0.125 0.000 1.345 21 A CB -0.759 18.034 19.000 -0.345 0.000 1.013 21 A HN 0.135 nan 8.150 nan 0.000 0.641 22 K N -0.215 120.166 120.400 -0.031 0.000 2.209 22 K HA -0.047 3.856 4.320 -0.695 0.000 0.204 22 K C 0.892 177.589 176.600 0.162 0.000 1.048 22 K CA 1.002 57.319 56.287 0.050 0.000 0.940 22 K CB -0.033 32.488 32.500 0.035 0.000 0.729 22 K HN 0.516 nan 8.250 nan 0.000 0.451 23 L N 0.295 121.556 121.223 0.064 0.000 2.607 23 L HA 0.188 4.111 4.340 -0.695 0.000 0.228 23 L C 0.829 177.582 176.870 -0.196 0.000 1.123 23 L CA 0.938 55.768 54.840 -0.017 0.000 0.890 23 L CB -0.578 41.460 42.059 -0.035 0.000 1.103 23 L HN 0.490 nan 8.230 nan 0.000 0.468 24 G N -0.155 108.500 108.800 -0.242 0.000 2.631 24 G HA2 -0.198 3.345 3.960 -0.695 0.000 0.504 24 G HA3 -0.198 3.345 3.960 -0.695 0.000 0.504 24 G C -0.892 173.720 174.900 -0.480 0.000 1.306 24 G CA -0.872 43.767 45.100 -0.768 0.000 0.897 24 G HN -0.080 nan 8.290 nan 0.000 0.520 25 F N 1.058 120.898 119.950 -0.183 0.000 2.415 25 F HA 0.669 4.777 4.527 -0.698 0.000 0.348 25 F C 1.132 177.003 175.800 0.119 0.000 1.119 25 F CA -0.621 57.404 58.000 0.041 0.000 1.069 25 F CB 1.633 40.694 39.000 0.102 0.000 1.124 25 F HN 0.663 nan 8.300 nan 0.000 0.472 26 R N 2.424 123.046 120.500 0.202 0.000 2.577 26 R HA 0.239 4.162 4.340 -0.695 0.000 0.269 26 R C 0.154 176.445 176.300 -0.015 0.000 1.084 26 R CA -0.123 55.974 56.100 -0.005 0.000 1.163 26 R CB 0.366 30.543 30.300 -0.205 0.000 1.100 26 R HN 0.791 nan 8.270 nan 0.000 0.547 27 N N 1.622 120.156 118.700 -0.276 0.000 2.816 27 N HA -0.180 4.143 4.740 -0.695 0.000 0.247 27 N C -1.489 173.738 175.510 -0.472 0.000 1.100 27 N CA 0.867 53.636 53.050 -0.467 0.000 0.687 27 N CB -1.274 37.098 38.487 -0.192 0.000 1.003 27 N HN 0.586 nan 8.380 nan 0.000 0.554 28 H N -1.754 117.135 119.070 -0.301 0.000 2.928 28 H HA 0.296 4.440 4.556 -0.687 0.000 0.371 28 H C -0.251 174.922 175.328 -0.258 0.000 1.186 28 H CA -0.395 55.568 56.048 -0.141 0.000 1.134 28 H CB 0.810 30.427 29.762 -0.242 0.000 1.824 28 H HN 0.031 nan 8.280 nan 0.000 0.554 29 W N 1.147 122.455 121.300 0.015 0.000 2.313 29 W HA 0.355 4.595 4.660 -0.700 0.000 0.328 29 W C -0.656 175.717 176.519 -0.243 0.000 1.197 29 W CA -0.080 57.278 57.345 0.021 0.000 1.235 29 W CB 0.575 30.031 29.460 -0.006 0.000 1.158 29 W HN 0.342 nan 8.180 nan 0.000 0.578 30 Y N 2.673 123.194 120.300 0.369 0.000 2.433 30 Y HA 0.320 4.447 4.550 -0.705 0.000 0.337 30 Y C -2.115 173.643 175.900 -0.236 0.000 1.026 30 Y CA -2.849 55.298 58.100 0.080 0.000 1.037 30 Y CB 1.911 40.357 38.460 -0.023 0.000 1.245 30 Y HN 0.103 nan 8.280 nan 0.000 0.443 31 P HA 0.162 nan 4.420 nan 0.000 0.285 31 P C 0.170 176.741 177.300 -1.215 0.000 1.259 31 P CA -0.147 61.958 63.100 -1.658 0.000 0.794 31 P CB 2.234 32.213 31.700 -2.868 0.000 0.940 32 V N 0.414 119.741 119.914 -0.978 0.000 3.497 32 V HA 0.358 4.061 4.120 -0.695 0.000 0.272 32 V C 0.538 176.231 176.094 -0.668 0.000 1.474 32 V CA 0.238 62.079 62.300 -0.764 0.000 1.025 32 V CB -0.574 30.998 31.823 -0.418 0.000 0.820 32 V HN 0.625 nan 8.190 nan 0.000 0.437 33 M N -1.295 117.995 119.600 -0.517 0.000 3.147 33 M HA 0.648 4.711 4.480 -0.695 0.000 0.276 33 M C -2.165 173.939 176.300 -0.326 0.000 1.211 33 M CA -0.590 54.551 55.300 -0.265 0.000 0.820 33 M CB 1.498 34.009 32.600 -0.148 0.000 1.621 33 M HN -0.118 nan 8.290 nan 0.000 0.507 34 F N 0.793 120.771 119.950 0.047 0.000 2.425 34 F HA 0.547 4.655 4.527 -0.698 0.000 0.331 34 F C 1.518 177.311 175.800 -0.012 0.000 1.085 34 F CA -0.074 57.942 58.000 0.026 0.000 1.028 34 F CB 1.952 40.949 39.000 -0.004 0.000 1.177 34 F HN 0.770 nan 8.300 nan 0.000 0.487 35 S N 1.144 116.939 115.700 0.158 0.000 2.380 35 S HA -0.282 3.772 4.470 -0.695 0.000 0.229 35 S C 2.005 176.649 174.600 0.073 0.000 1.043 35 S CA 1.964 60.209 58.200 0.075 0.000 1.038 35 S CB -0.440 62.794 63.200 0.057 0.000 0.872 35 S HN 0.728 nan 8.310 nan 0.000 0.456 36 K N 1.380 121.837 120.400 0.094 0.000 2.360 36 K HA -0.065 3.838 4.320 -0.695 0.000 0.201 36 K C 1.346 177.981 176.600 0.058 0.000 1.046 36 K CA 1.452 57.773 56.287 0.056 0.000 0.945 36 K CB -0.217 32.300 32.500 0.029 0.000 0.750 36 K HN 0.381 nan 8.250 nan 0.000 0.464 37 E N 0.355 120.609 120.200 0.090 0.000 2.435 37 E HA 0.011 3.944 4.350 -0.695 0.000 0.195 37 E C -0.234 176.395 176.600 0.048 0.000 1.029 37 E CA 0.046 56.492 56.400 0.076 0.000 0.865 37 E CB 0.231 29.997 29.700 0.110 0.000 0.833 37 E HN 0.256 nan 8.360 nan 0.000 0.510 38 I N 1.638 122.228 120.570 0.034 0.000 2.411 38 I HA 0.186 3.939 4.170 -0.695 0.000 0.284 38 I C -1.161 174.958 176.117 0.005 0.000 1.012 38 I CA -0.643 60.666 61.300 0.015 0.000 1.119 38 I CB 0.641 38.643 38.000 0.003 0.000 1.261 38 I HN -0.216 nan 8.210 nan 0.000 0.448 39 N N 4.725 123.427 118.700 0.003 0.000 2.489 39 N HA 0.195 4.518 4.740 -0.695 0.000 0.284 39 N C -0.552 174.948 175.510 -0.016 0.000 1.158 39 N CA -0.618 52.431 53.050 -0.002 0.000 0.965 39 N CB 1.151 39.641 38.487 0.005 0.000 1.195 39 N HN 0.536 nan 8.380 nan 0.000 0.506 40 E N 0.096 120.287 120.200 -0.016 0.000 2.608 40 E HA 0.082 4.016 4.350 -0.695 0.000 0.259 40 E C 0.839 177.423 176.600 -0.028 0.000 0.951 40 E CA 1.023 57.408 56.400 -0.025 0.000 0.945 40 E CB -0.294 29.400 29.700 -0.011 0.000 0.916 40 E HN 0.737 nan 8.360 nan 0.000 0.477 41 G N 4.096 112.863 108.800 -0.055 0.000 2.203 41 G HA2 -0.337 3.206 3.960 -0.695 0.000 0.263 41 G HA3 -0.337 3.206 3.960 -0.695 0.000 0.263 41 G C -0.166 174.722 174.900 -0.020 0.000 1.012 41 G CA 0.610 45.682 45.100 -0.046 0.000 0.749 41 G HN 0.559 nan 8.290 nan 0.000 0.512 42 E N 0.471 120.655 120.200 -0.027 0.000 2.795 42 E HA 0.273 4.206 4.350 -0.695 0.000 0.226 42 E C -2.651 173.956 176.600 0.012 0.000 1.088 42 E CA -1.978 54.427 56.400 0.008 0.000 0.812 42 E CB 1.506 31.215 29.700 0.015 0.000 1.328 42 E HN 0.181 nan 8.360 nan 0.000 0.410 43 P HA -0.080 nan 4.420 nan 0.000 0.262 43 P C -0.619 176.745 177.300 0.106 0.000 1.182 43 P CA 0.382 63.535 63.100 0.089 0.000 0.761 43 P CB 0.569 32.413 31.700 0.240 0.000 0.795 44 K N 1.634 122.097 120.400 0.105 0.000 2.318 44 K HA 0.502 4.405 4.320 -0.695 0.000 0.249 44 K C 0.102 176.777 176.600 0.124 0.000 0.942 44 K CA -0.482 55.864 56.287 0.099 0.000 0.808 44 K CB 1.906 34.448 32.500 0.070 0.000 1.189 44 K HN 0.419 nan 8.250 nan 0.000 0.428 45 T N -0.659 113.963 114.554 0.114 0.000 2.943 45 T HA 0.845 4.778 4.350 -0.695 0.000 0.284 45 T C 0.097 174.867 174.700 0.117 0.000 1.015 45 T CA -0.810 61.361 62.100 0.119 0.000 1.042 45 T CB 0.851 69.782 68.868 0.105 0.000 1.055 45 T HN 0.572 nan 8.240 nan 0.000 0.500 46 L N -1.946 119.348 121.223 0.119 0.000 2.921 46 L HA 0.684 4.607 4.340 -0.695 0.000 0.261 46 L C -1.465 175.470 176.870 0.108 0.000 0.984 46 L CA -1.294 53.632 54.840 0.143 0.000 0.951 46 L CB 1.864 44.030 42.059 0.178 0.000 1.495 46 L HN 0.863 nan 8.230 nan 0.000 0.414 47 K N 1.668 122.124 120.400 0.093 0.000 2.292 47 K HA 0.798 4.701 4.320 -0.695 0.000 0.257 47 K C -1.951 174.655 176.600 0.010 0.000 0.940 47 K CA -0.738 55.566 56.287 0.029 0.000 0.811 47 K CB 1.915 34.410 32.500 -0.008 0.000 1.120 47 K HN 0.745 nan 8.250 nan 0.000 0.428 48 L N 6.072 127.270 121.223 -0.042 0.000 2.406 48 L HA 0.352 4.275 4.340 -0.695 0.000 0.272 48 L C -0.828 175.920 176.870 -0.204 0.000 0.980 48 L CA -0.274 54.493 54.840 -0.122 0.000 0.831 48 L CB 1.320 43.297 42.059 -0.137 0.000 1.253 48 L HN 0.836 nan 8.230 nan 0.000 0.406 49 L N 5.910 126.978 121.223 -0.259 0.000 3.843 49 L HA -0.133 3.790 4.340 -0.695 0.000 0.411 49 L C 1.215 178.000 176.870 -0.142 0.000 1.205 49 L CA 1.559 56.245 54.840 -0.258 0.000 0.945 49 L CB -1.773 40.092 42.059 -0.324 0.000 1.929 49 L HN 1.152 nan 8.230 nan 0.000 0.934 50 G N -2.196 106.545 108.800 -0.098 0.000 2.225 50 G HA2 -0.284 3.259 3.960 -0.695 0.000 0.254 50 G HA3 -0.284 3.259 3.960 -0.695 0.000 0.254 50 G C 0.296 175.182 174.900 -0.023 0.000 0.988 50 G CA 0.378 45.450 45.100 -0.046 0.000 0.625 50 G HN 0.520 nan 8.290 nan 0.000 0.527 51 E N 1.158 121.337 120.200 -0.035 0.000 2.197 51 E HA 0.363 4.297 4.350 -0.695 0.000 0.281 51 E C -0.462 176.149 176.600 0.019 0.000 0.995 51 E CA -0.797 55.606 56.400 0.005 0.000 0.808 51 E CB 0.656 30.366 29.700 0.018 0.000 1.093 51 E HN 0.216 nan 8.360 nan 0.000 0.394 52 N N 3.351 122.077 118.700 0.043 0.000 2.430 52 N HA 0.239 4.562 4.740 -0.695 0.000 0.265 52 N C -0.647 174.912 175.510 0.082 0.000 1.100 52 N CA 0.131 53.215 53.050 0.056 0.000 0.961 52 N CB 0.756 39.277 38.487 0.056 0.000 1.075 52 N HN 0.324 nan 8.380 nan 0.000 0.478 53 L N 1.589 122.870 121.223 0.096 0.000 2.301 53 L HA 0.610 4.533 4.340 -0.695 0.000 0.264 53 L C -0.307 176.656 176.870 0.155 0.000 1.016 53 L CA -0.883 54.037 54.840 0.135 0.000 0.821 53 L CB 1.929 44.070 42.059 0.136 0.000 1.346 53 L HN 0.169 nan 8.230 nan 0.000 0.429 54 L N 1.639 122.987 121.223 0.208 0.000 2.381 54 L HA 0.627 4.550 4.340 -0.695 0.000 0.274 54 L C -1.120 175.974 176.870 0.373 0.000 0.988 54 L CA -0.688 54.323 54.840 0.284 0.000 0.824 54 L CB 2.400 44.658 42.059 0.332 0.000 1.263 54 L HN 0.256 nan 8.230 nan 0.000 0.410 55 V N 2.858 122.931 119.914 0.266 0.000 2.555 55 V HA 0.563 4.266 4.120 -0.695 0.000 0.302 55 V C -0.589 175.517 176.094 0.020 0.000 1.038 55 V CA -0.679 61.730 62.300 0.181 0.000 0.887 55 V CB 1.989 33.872 31.823 0.101 0.000 0.991 55 V HN 0.715 nan 8.190 nan 0.000 0.434 56 N N 2.718 121.301 118.700 -0.195 0.000 2.242 56 N HA 0.465 4.788 4.740 -0.695 0.000 0.292 56 N C -1.098 174.254 175.510 -0.263 0.000 1.125 56 N CA -0.797 51.987 53.050 -0.442 0.000 0.783 56 N CB 2.648 40.341 38.487 -1.324 0.000 1.558 56 N HN 0.669 nan 8.380 nan 0.000 0.472 57 R N 3.216 123.604 120.500 -0.187 0.000 2.265 57 R HA 0.555 4.478 4.340 -0.695 0.000 0.328 57 R C -0.928 175.329 176.300 -0.072 0.000 0.969 57 R CA -0.409 55.638 56.100 -0.088 0.000 0.832 57 R CB 0.340 30.605 30.300 -0.058 0.000 1.139 57 R HN 0.590 nan 8.270 nan 0.000 0.457 58 I N 4.506 125.094 120.570 0.030 0.000 2.439 58 I HA 0.169 3.922 4.170 -0.695 0.000 0.285 58 I C -0.471 175.704 176.117 0.096 0.000 1.021 58 I CA -0.640 60.688 61.300 0.046 0.000 1.091 58 I CB 1.973 39.997 38.000 0.040 0.000 1.242 58 I HN 0.728 nan 8.210 nan 0.000 0.439 59 D N 5.306 125.734 120.400 0.046 0.000 2.772 59 D HA -0.191 4.032 4.640 -0.695 0.000 0.233 59 D C 1.182 177.501 176.300 0.032 0.000 1.143 59 D CA 1.634 55.660 54.000 0.044 0.000 0.700 59 D CB -0.805 40.034 40.800 0.064 0.000 1.076 59 D HN 1.166 nan 8.370 nan 0.000 0.430 60 G N -0.256 108.551 108.800 0.013 0.000 2.267 60 G HA2 -0.387 3.156 3.960 -0.695 0.000 0.257 60 G HA3 -0.387 3.156 3.960 -0.695 0.000 0.257 60 G C 0.399 175.281 174.900 -0.029 0.000 0.998 60 G CA 0.916 46.013 45.100 -0.006 0.000 0.620 60 G HN 0.624 nan 8.290 nan 0.000 0.529 61 K N 0.680 121.059 120.400 -0.034 0.000 2.130 61 K HA 0.690 4.593 4.320 -0.695 0.000 0.268 61 K C 0.408 176.857 176.600 -0.252 0.000 0.983 61 K CA -0.856 55.341 56.287 -0.150 0.000 0.893 61 K CB 0.466 32.848 32.500 -0.196 0.000 1.066 61 K HN 0.195 nan 8.250 nan 0.000 0.450 62 L N 4.221 125.264 121.223 -0.301 0.000 2.334 62 L HA 0.359 4.282 4.340 -0.695 0.000 0.277 62 L C -0.887 175.723 176.870 -0.434 0.000 1.075 62 L CA -0.738 53.958 54.840 -0.240 0.000 0.804 62 L CB 0.521 42.521 42.059 -0.098 0.000 1.174 62 L HN 0.637 nan 8.230 nan 0.000 0.438 63 Y N 0.886 121.207 120.300 0.034 0.000 2.524 63 Y HA 0.428 4.562 4.550 -0.694 0.000 0.347 63 Y C -0.363 175.690 175.900 0.254 0.000 1.005 63 Y CA -0.664 57.532 58.100 0.159 0.000 1.025 63 Y CB 2.111 40.696 38.460 0.209 0.000 1.275 63 Y HN 0.479 nan 8.280 nan 0.000 0.460 64 C N 5.224 124.800 119.300 0.460 0.000 2.431 64 C HA 0.833 4.876 4.460 -0.695 0.000 0.321 64 C C -1.278 173.929 174.990 0.362 0.000 1.202 64 C CA -0.680 58.585 59.018 0.412 0.000 1.398 64 C CB -0.761 27.172 27.740 0.321 0.000 2.047 64 C HN 0.825 nan 8.230 nan 0.000 0.465 65 L N 4.854 126.270 121.223 0.321 0.000 2.362 65 L HA 0.535 4.458 4.340 -0.695 0.000 0.271 65 L C -0.133 176.779 176.870 0.070 0.000 1.002 65 L CA -0.618 54.268 54.840 0.077 0.000 0.818 65 L CB 1.769 43.718 42.059 -0.184 0.000 1.298 65 L HN 0.664 nan 8.230 nan 0.000 0.420 66 K N 1.219 121.617 120.400 -0.003 0.000 2.412 66 K HA -0.033 3.870 4.320 -0.695 0.000 0.281 66 K C -0.128 176.459 176.600 -0.022 0.000 1.027 66 K CA -0.234 56.078 56.287 0.041 0.000 0.989 66 K CB 0.587 33.093 32.500 0.010 0.000 0.935 66 K HN 0.422 nan 8.250 nan 0.000 0.475 67 D N 4.453 124.874 120.400 0.035 0.000 2.801 67 D HA 0.056 4.279 4.640 -0.695 0.000 0.232 67 D C -0.945 175.366 176.300 0.019 0.000 1.128 67 D CA 0.175 54.195 54.000 0.033 0.000 1.003 67 D CB -0.261 40.589 40.800 0.083 0.000 1.110 67 D HN 0.456 nan 8.370 nan 0.000 0.477 68 R N 2.004 122.481 120.500 -0.037 0.000 2.659 68 R HA 0.197 4.120 4.340 -0.695 0.000 0.290 68 R C -1.272 174.975 176.300 -0.089 0.000 1.253 68 R CA -0.664 55.417 56.100 -0.032 0.000 1.010 68 R CB 0.249 30.541 30.300 -0.014 0.000 1.236 68 R HN 0.233 nan 8.270 nan 0.000 0.413 69 C N 5.104 124.363 119.300 -0.068 0.000 2.634 69 C HA 0.107 4.150 4.460 -0.695 0.000 0.417 69 C C 2.047 177.001 174.990 -0.061 0.000 1.334 69 C CA -0.194 58.788 59.018 -0.060 0.000 1.829 69 C CB -0.367 27.331 27.740 -0.070 0.000 2.665 69 C HN 0.967 nan 8.230 nan 0.000 0.614 70 L N 3.976 125.222 121.223 0.040 0.000 2.201 70 L HA -0.088 3.835 4.340 -0.695 0.000 0.212 70 L C 2.431 179.245 176.870 -0.092 0.000 1.105 70 L CA 1.367 56.246 54.840 0.065 0.000 0.775 70 L CB -0.854 41.406 42.059 0.335 0.000 0.913 70 L HN 0.863 nan 8.230 nan 0.000 0.440 71 H N 0.633 119.328 119.070 -0.624 0.000 2.368 71 H HA -0.036 4.103 4.556 -0.695 0.000 0.303 71 H C 1.248 176.296 175.328 -0.467 0.000 1.043 71 H CA 0.937 56.423 56.048 -0.937 0.000 1.238 71 H CB 0.441 29.156 29.762 -1.744 0.000 1.417 71 H HN 0.046 nan 8.280 nan 0.000 0.548 72 R N -0.127 120.036 120.500 -0.562 0.000 2.546 72 R HA 0.148 4.071 4.340 -0.695 0.000 0.320 72 R C 0.755 176.960 176.300 -0.158 0.000 1.021 72 R CA 0.498 56.353 56.100 -0.408 0.000 1.088 72 R CB 0.601 30.625 30.300 -0.460 0.000 1.278 72 R HN 0.731 nan 8.270 nan 0.000 0.557 73 G N 1.406 110.131 108.800 -0.126 0.000 2.179 73 G HA2 -0.300 3.243 3.960 -0.695 0.000 0.257 73 G HA3 -0.300 3.243 3.960 -0.695 0.000 0.257 73 G C 0.403 175.306 174.900 0.005 0.000 1.010 73 G CA 0.586 45.656 45.100 -0.050 0.000 0.736 73 G HN 0.295 nan 8.290 nan 0.000 0.513 74 V N -3.038 116.891 119.914 0.026 0.000 2.953 74 V HA 0.692 4.395 4.120 -0.695 0.000 0.304 74 V C 0.501 176.677 176.094 0.136 0.000 1.073 74 V CA -0.901 61.475 62.300 0.126 0.000 1.064 74 V CB 1.325 33.276 31.823 0.215 0.000 1.047 74 V HN 0.350 nan 8.190 nan 0.000 0.478 75 Q N 1.593 121.520 119.800 0.211 0.000 2.286 75 Q HA 0.399 4.322 4.340 -0.695 0.000 0.257 75 Q C 0.820 177.021 176.000 0.335 0.000 0.941 75 Q CA -0.343 55.574 55.803 0.190 0.000 0.912 75 Q CB 1.692 30.518 28.738 0.147 0.000 1.192 75 Q HN 0.748 nan 8.270 nan 0.000 0.410 76 L N 1.351 122.716 121.223 0.237 0.000 2.131 76 L HA -0.214 3.709 4.340 -0.695 0.000 0.210 76 L C 2.293 179.384 176.870 0.368 0.000 1.092 76 L CA 1.333 56.360 54.840 0.312 0.000 0.759 76 L CB -0.507 41.644 42.059 0.153 0.000 0.903 76 L HN 0.676 nan 8.230 nan 0.000 0.435 77 S N -0.916 114.925 115.700 0.235 0.000 2.500 77 S HA -0.093 3.960 4.470 -0.695 0.000 0.239 77 S C 1.850 176.501 174.600 0.085 0.000 0.989 77 S CA 0.709 59.008 58.200 0.165 0.000 0.951 77 S CB -0.636 62.644 63.200 0.133 0.000 0.759 77 S HN 0.190 nan 8.310 nan 0.000 0.523 78 V N 1.178 121.129 119.914 0.063 0.000 2.392 78 V HA 0.019 3.722 4.120 -0.695 0.000 0.249 78 V C 1.315 177.210 176.094 -0.331 0.000 1.059 78 V CA 1.797 63.984 62.300 -0.188 0.000 1.051 78 V CB -0.663 30.938 31.823 -0.370 0.000 0.658 78 V HN 0.657 nan 8.190 nan 0.000 0.455 79 K N 0.157 120.378 120.400 -0.299 0.000 2.790 79 K HA 0.315 4.218 4.320 -0.695 0.000 0.253 79 K C -1.303 175.381 176.600 0.139 0.000 1.082 79 K CA -0.360 55.824 56.287 -0.172 0.000 1.067 79 K CB 1.638 33.912 32.500 -0.377 0.000 1.284 79 K HN 0.030 nan 8.250 nan 0.000 0.529 80 V N 3.440 123.436 119.914 0.137 0.000 2.529 80 V HA 0.074 3.777 4.120 -0.695 0.000 0.292 80 V C 0.112 176.319 176.094 0.188 0.000 1.028 80 V CA 0.426 62.844 62.300 0.197 0.000 1.074 80 V CB 0.911 32.840 31.823 0.177 0.000 0.958 80 V HN 0.704 nan 8.190 nan 0.000 0.481 81 E N 3.432 123.762 120.200 0.216 0.000 2.675 81 E HA 0.283 4.216 4.350 -0.695 0.000 0.236 81 E C -1.298 175.413 176.600 0.185 0.000 1.059 81 E CA -0.405 56.105 56.400 0.183 0.000 0.775 81 E CB 1.282 31.093 29.700 0.185 0.000 1.356 81 E HN 0.677 nan 8.360 nan 0.000 0.403 82 C N 3.331 122.747 119.300 0.193 0.000 2.168 82 C HA 0.201 4.244 4.460 -0.695 0.000 0.333 82 C C 1.556 176.640 174.990 0.156 0.000 1.106 82 C CA -0.483 58.669 59.018 0.223 0.000 1.574 82 C CB -0.553 27.351 27.740 0.273 0.000 2.055 82 C HN 0.675 nan 8.230 nan 0.000 0.473 83 K N 0.971 121.450 120.400 0.131 0.000 2.305 83 K HA 0.010 3.913 4.320 -0.695 0.000 0.199 83 K C 0.988 177.638 176.600 0.083 0.000 1.047 83 K CA 0.774 57.118 56.287 0.095 0.000 0.976 83 K CB 0.149 32.695 32.500 0.077 0.000 0.765 83 K HN 0.774 nan 8.250 nan 0.000 0.474 84 T N -2.735 111.878 114.554 0.098 0.000 2.906 84 T HA 0.250 4.183 4.350 -0.695 0.000 0.295 84 T C 0.614 175.379 174.700 0.108 0.000 1.061 84 T CA -1.013 61.136 62.100 0.082 0.000 1.000 84 T CB 2.629 71.535 68.868 0.063 0.000 1.103 84 T HN -0.100 nan 8.240 nan 0.000 0.486 85 K N 0.909 121.357 120.400 0.079 0.000 2.127 85 K HA -0.164 3.739 4.320 -0.695 0.000 0.208 85 K C 1.845 178.502 176.600 0.094 0.000 1.047 85 K CA 2.145 58.474 56.287 0.070 0.000 0.927 85 K CB -0.430 32.094 32.500 0.041 0.000 0.716 85 K HN 0.728 nan 8.250 nan 0.000 0.450 86 S N -0.710 115.056 115.700 0.110 0.000 2.577 86 S HA 0.034 4.087 4.470 -0.695 0.000 0.219 86 S C 0.327 175.095 174.600 0.281 0.000 0.962 86 S CA -0.017 58.267 58.200 0.140 0.000 0.921 86 S CB 0.046 63.279 63.200 0.054 0.000 0.789 86 S HN 0.401 nan 8.310 nan 0.000 0.497 87 T N -1.189 113.549 114.554 0.307 0.000 2.812 87 T HA 0.742 4.675 4.350 -0.695 0.000 0.294 87 T C -1.018 173.806 174.700 0.207 0.000 1.159 87 T CA -0.937 61.273 62.100 0.183 0.000 1.008 87 T CB 1.577 70.486 68.868 0.067 0.000 1.289 87 T HN 0.312 nan 8.240 nan 0.000 0.514 88 I N 0.583 121.144 120.570 -0.014 0.000 2.569 88 I HA 0.552 4.305 4.170 -0.695 0.000 0.290 88 I C -1.241 174.921 176.117 0.074 0.000 1.088 88 I CA -0.495 60.836 61.300 0.053 0.000 1.047 88 I CB 2.248 40.164 38.000 -0.140 0.000 1.237 88 I HN 0.837 nan 8.210 nan 0.000 0.421 89 T N 6.515 121.139 114.554 0.116 0.000 2.758 89 T HA 0.191 4.124 4.350 -0.695 0.000 0.285 89 T C -0.426 174.357 174.700 0.138 0.000 0.981 89 T CA -0.198 61.965 62.100 0.104 0.000 0.965 89 T CB 0.845 69.766 68.868 0.088 0.000 0.927 89 T HN 0.677 nan 8.240 nan 0.000 0.448 90 C N 6.426 125.799 119.300 0.123 0.000 2.642 90 C HA 0.110 4.153 4.460 -0.695 0.000 0.420 90 C C 2.078 177.045 174.990 -0.039 0.000 1.349 90 C CA -0.641 58.382 59.018 0.010 0.000 1.821 90 C CB -0.756 26.954 27.740 -0.050 0.000 2.637 90 C HN 1.048 nan 8.230 nan 0.000 0.605 91 W N 4.962 126.331 121.300 0.116 0.000 2.595 91 W HA -0.051 4.191 4.660 -0.696 0.000 0.257 91 W C 1.363 177.937 176.519 0.091 0.000 1.267 91 W CA 0.337 57.730 57.345 0.079 0.000 1.300 91 W CB -1.188 28.291 29.460 0.033 0.000 1.120 91 W HN 0.825 nan 8.180 nan 0.000 0.618 92 Y N 2.189 121.943 120.300 -0.909 0.000 2.134 92 Y HA -0.072 4.061 4.550 -0.695 0.000 0.283 92 Y C 1.487 176.985 175.900 -0.670 0.000 1.108 92 Y CA 1.659 59.208 58.100 -0.918 0.000 1.096 92 Y CB -0.954 36.707 38.460 -1.331 0.000 1.005 92 Y HN -0.023 nan 8.280 nan 0.000 0.487 93 H N -0.944 118.075 119.070 -0.086 0.000 2.662 93 H HA 0.538 4.676 4.556 -0.695 0.000 0.268 93 H C 0.866 176.252 175.328 0.096 0.000 1.152 93 H CA 0.273 56.306 56.048 -0.025 0.000 1.072 93 H CB 0.210 29.908 29.762 -0.107 0.000 1.660 93 H HN 0.300 nan 8.280 nan 0.000 0.584 94 A N -0.289 122.610 122.820 0.131 0.000 2.860 94 A HA -0.230 3.673 4.320 -0.695 0.000 0.267 94 A C -0.316 177.367 177.584 0.166 0.000 1.421 94 A CA 0.268 52.383 52.037 0.128 0.000 0.831 94 A CB -2.463 16.593 19.000 0.094 0.000 1.041 94 A HN 0.423 nan 8.150 nan 0.000 0.623 95 W N 0.231 121.443 121.300 -0.147 0.000 2.251 95 W HA 0.478 4.721 4.660 -0.695 0.000 0.327 95 W C 0.659 176.909 176.519 -0.449 0.000 1.361 95 W CA 0.969 58.120 57.345 -0.322 0.000 1.234 95 W CB 0.346 29.614 29.460 -0.320 0.000 1.212 95 W HN 0.316 nan 8.180 nan 0.000 0.557 96 T N 4.784 119.118 114.554 -0.368 0.000 2.797 96 T HA 0.475 4.408 4.350 -0.695 0.000 0.279 96 T C -1.135 173.268 174.700 -0.495 0.000 0.991 96 T CA -0.416 61.492 62.100 -0.320 0.000 0.979 96 T CB 0.593 69.373 68.868 -0.148 0.000 0.943 96 T HN 0.034 nan 8.240 nan 0.000 0.444 97 Y N 0.959 121.205 120.300 -0.090 0.000 2.468 97 Y HA 0.543 4.677 4.550 -0.694 0.000 0.342 97 Y C 0.821 176.606 175.900 -0.192 0.000 1.021 97 Y CA -1.391 56.625 58.100 -0.139 0.000 1.079 97 Y CB 1.355 39.706 38.460 -0.182 0.000 1.226 97 Y HN 0.299 nan 8.280 nan 0.000 0.460 98 R N 1.206 121.719 120.500 0.022 0.000 2.308 98 R HA 0.052 3.975 4.340 -0.695 0.000 0.305 98 R C -0.139 176.139 176.300 -0.035 0.000 1.053 98 R CA -0.281 55.814 56.100 -0.009 0.000 0.957 98 R CB 0.663 30.969 30.300 0.010 0.000 1.022 98 R HN 0.904 nan 8.270 nan 0.000 0.461 99 W N 1.873 123.127 121.300 -0.076 0.000 2.374 99 W HA -0.184 4.058 4.660 -0.696 0.000 0.288 99 W C 2.071 178.475 176.519 -0.191 0.000 1.218 99 W CA 1.225 58.489 57.345 -0.136 0.000 1.245 99 W CB 0.151 29.450 29.460 -0.269 0.000 1.126 99 W HN 0.708 nan 8.180 nan 0.000 0.545 100 E N 0.073 120.240 120.200 -0.056 0.000 2.152 100 E HA -0.191 3.742 4.350 -0.695 0.000 0.192 100 E C 0.925 177.602 176.600 0.127 0.000 0.983 100 E CA 1.739 58.147 56.400 0.013 0.000 0.818 100 E CB -0.416 29.272 29.700 -0.020 0.000 0.758 100 E HN 0.338 nan 8.360 nan 0.000 0.467 101 D N -1.682 118.762 120.400 0.074 0.000 2.538 101 D HA 0.144 4.367 4.640 -0.695 0.000 0.241 101 D C 1.240 177.562 176.300 0.037 0.000 1.297 101 D CA 0.240 54.277 54.000 0.062 0.000 0.804 101 D CB 0.313 41.141 40.800 0.048 0.000 1.122 101 D HN 0.273 nan 8.370 nan 0.000 0.519 102 G N 0.405 109.223 108.800 0.029 0.000 2.196 102 G HA2 -0.306 3.237 3.960 -0.695 0.000 0.268 102 G HA3 -0.306 3.237 3.960 -0.695 0.000 0.268 102 G C 0.378 175.340 174.900 0.103 0.000 0.975 102 G CA 0.505 45.614 45.100 0.015 0.000 0.648 102 G HN 0.452 nan 8.290 nan 0.000 0.538 103 V N 1.208 121.164 119.914 0.072 0.000 2.673 103 V HA 0.272 3.975 4.120 -0.695 0.000 0.303 103 V C 1.082 177.212 176.094 0.059 0.000 1.046 103 V CA 0.120 62.456 62.300 0.060 0.000 1.126 103 V CB 1.446 33.276 31.823 0.011 0.000 0.934 103 V HN 0.486 nan 8.190 nan 0.000 0.487 104 L N 7.169 128.398 121.223 0.010 0.000 2.433 104 L HA 0.187 4.110 4.340 -0.695 0.000 0.284 104 L C 1.058 177.801 176.870 -0.213 0.000 1.120 104 L CA 0.261 54.980 54.840 -0.202 0.000 0.879 104 L CB 0.065 41.972 42.059 -0.255 0.000 1.232 104 L HN 0.949 nan 8.230 nan 0.000 0.454 105 C N 1.226 120.407 119.300 -0.197 0.000 2.590 105 C HA 0.441 4.484 4.460 -0.695 0.000 0.272 105 C C 0.346 175.231 174.990 -0.175 0.000 1.338 105 C CA -0.373 58.554 59.018 -0.151 0.000 1.746 105 C CB -0.557 27.128 27.740 -0.093 0.000 2.020 105 C HN 0.759 nan 8.230 nan 0.000 0.531 106 D N -0.296 119.967 120.400 -0.228 0.000 2.623 106 D HA 0.515 4.738 4.640 -0.695 0.000 0.241 106 D C -1.413 174.723 176.300 -0.275 0.000 1.241 106 D CA -0.188 53.686 54.000 -0.210 0.000 0.788 106 D CB 2.055 42.776 40.800 -0.132 0.000 1.413 106 D HN 0.230 nan 8.370 nan 0.000 0.429 107 I N 2.317 122.741 120.570 -0.244 0.000 2.531 107 I HA 0.053 3.806 4.170 -0.695 0.000 0.283 107 I C 0.711 176.758 176.117 -0.115 0.000 1.083 107 I CA -0.475 60.683 61.300 -0.237 0.000 1.071 107 I CB 2.009 39.752 38.000 -0.428 0.000 1.210 107 I HN 0.146 nan 8.210 nan 0.000 0.450 108 L N 3.811 125.007 121.223 -0.045 0.000 2.191 108 L HA -0.138 3.785 4.340 -0.695 0.000 0.212 108 L C 2.584 179.455 176.870 0.002 0.000 1.103 108 L CA 2.107 56.939 54.840 -0.014 0.000 0.769 108 L CB -0.857 41.211 42.059 0.015 0.000 0.908 108 L HN 0.753 nan 8.230 nan 0.000 0.438 109 T N -4.225 110.344 114.554 0.025 0.000 3.113 109 T HA -0.018 3.915 4.350 -0.695 0.000 0.256 109 T C 0.825 175.527 174.700 0.002 0.000 1.131 109 T CA 0.315 62.438 62.100 0.039 0.000 1.074 109 T CB -0.446 68.481 68.868 0.098 0.000 0.944 109 T HN 0.434 nan 8.240 nan 0.000 0.516 110 N N 0.789 119.463 118.700 -0.043 0.000 3.354 110 N HA 0.121 4.444 4.740 -0.695 0.000 0.196 110 N C -2.703 172.740 175.510 -0.112 0.000 1.486 110 N CA -0.931 52.077 53.050 -0.071 0.000 0.768 110 N CB 1.407 39.846 38.487 -0.079 0.000 1.625 110 N HN -0.095 nan 8.380 nan 0.000 0.636 111 P HA -0.082 nan 4.420 nan 0.000 0.231 111 P C 0.982 178.218 177.300 -0.106 0.000 1.158 111 P CA 1.135 64.175 63.100 -0.101 0.000 0.763 111 P CB 0.048 31.706 31.700 -0.070 0.000 0.805 112 T N -5.301 109.193 114.554 -0.100 0.000 3.069 112 T HA 0.114 4.047 4.350 -0.695 0.000 0.252 112 T C 0.882 175.512 174.700 -0.116 0.000 1.053 112 T CA -0.256 61.788 62.100 -0.094 0.000 0.964 112 T CB -0.635 68.192 68.868 -0.068 0.000 1.005 112 T HN -0.019 nan 8.240 nan 0.000 0.532 113 S N 0.907 116.513 115.700 -0.156 0.000 2.558 113 S HA 0.388 4.442 4.470 -0.695 0.000 0.293 113 S C 1.626 176.111 174.600 -0.191 0.000 1.292 113 S CA 0.070 58.156 58.200 -0.190 0.000 1.063 113 S CB 0.217 63.243 63.200 -0.290 0.000 0.831 113 S HN 0.606 nan 8.310 nan 0.000 0.499 114 A N 4.700 127.425 122.820 -0.158 0.000 2.209 114 A HA -0.005 3.898 4.320 -0.695 0.000 0.212 114 A C 2.069 179.551 177.584 -0.170 0.000 1.158 114 A CA 0.630 52.585 52.037 -0.136 0.000 0.742 114 A CB -0.257 18.686 19.000 -0.096 0.000 0.790 114 A HN 0.862 nan 8.150 nan 0.000 0.472 115 Q N -0.277 119.370 119.800 -0.254 0.000 2.245 115 Q HA 0.115 4.038 4.340 -0.695 0.000 0.201 115 Q C 0.471 176.270 176.000 -0.335 0.000 0.955 115 Q CA 0.270 55.884 55.803 -0.315 0.000 0.870 115 Q CB -0.212 28.214 28.738 -0.521 0.000 0.945 115 Q HN 0.688 nan 8.270 nan 0.000 0.461 116 I N 1.181 121.545 120.570 -0.344 0.000 2.741 116 I HA -0.113 3.640 4.170 -0.695 0.000 0.288 116 I C 1.307 177.308 176.117 -0.193 0.000 1.192 116 I CA 1.105 62.228 61.300 -0.296 0.000 1.426 116 I CB 0.121 37.967 38.000 -0.258 0.000 1.367 116 I HN 0.410 nan 8.210 nan 0.000 0.563 117 G N 5.456 114.156 108.800 -0.167 0.000 2.184 117 G HA2 -0.325 3.219 3.960 -0.695 0.000 0.264 117 G HA3 -0.325 3.219 3.960 -0.695 0.000 0.264 117 G C 0.910 175.758 174.900 -0.085 0.000 0.975 117 G CA 0.177 45.213 45.100 -0.107 0.000 0.642 117 G HN 0.705 nan 8.290 nan 0.000 0.536 118 R N -0.563 119.875 120.500 -0.104 0.000 2.543 118 R HA 0.271 4.194 4.340 -0.695 0.000 0.323 118 R C 0.085 176.356 176.300 -0.048 0.000 1.002 118 R CA -0.045 56.012 56.100 -0.072 0.000 1.106 118 R CB 0.503 30.756 30.300 -0.078 0.000 1.280 118 R HN 0.340 nan 8.270 nan 0.000 0.549 119 Q N 0.620 120.394 119.800 -0.042 0.000 2.421 119 Q HA 0.392 4.315 4.340 -0.695 0.000 0.280 119 Q C -1.343 174.693 176.000 0.059 0.000 1.085 119 Q CA -0.629 55.187 55.803 0.022 0.000 0.807 119 Q CB 3.165 31.938 28.738 0.057 0.000 1.405 119 Q HN -0.089 nan 8.270 nan 0.000 0.419 120 K N 1.539 121.988 120.400 0.082 0.000 2.507 120 K HA 0.399 4.302 4.320 -0.695 0.000 0.251 120 K C -1.247 175.385 176.600 0.053 0.000 0.943 120 K CA -0.709 55.623 56.287 0.075 0.000 0.794 120 K CB 1.579 34.095 32.500 0.027 0.000 1.188 120 K HN 0.458 nan 8.250 nan 0.000 0.428 121 L N 3.508 124.746 121.223 0.024 0.000 2.371 121 L HA 0.344 4.267 4.340 -0.695 0.000 0.272 121 L C -0.330 176.448 176.870 -0.153 0.000 1.124 121 L CA -0.033 54.714 54.840 -0.156 0.000 0.816 121 L CB 0.736 42.478 42.059 -0.529 0.000 1.129 121 L HN 0.515 nan 8.230 nan 0.000 0.448 122 K N 2.530 122.826 120.400 -0.174 0.000 2.472 122 K HA 0.222 4.125 4.320 -0.695 0.000 0.280 122 K C -0.495 175.927 176.600 -0.297 0.000 1.028 122 K CA 0.569 56.707 56.287 -0.247 0.000 1.045 122 K CB 0.049 32.387 32.500 -0.271 0.000 0.902 122 K HN 0.843 nan 8.250 nan 0.000 0.478 123 T N 1.192 115.552 114.554 -0.323 0.000 2.932 123 T HA 0.568 4.501 4.350 -0.695 0.000 0.289 123 T C -1.024 173.460 174.700 -0.360 0.000 1.039 123 T CA -0.739 61.243 62.100 -0.196 0.000 1.024 123 T CB 0.727 69.590 68.868 -0.010 0.000 1.090 123 T HN 0.330 nan 8.240 nan 0.000 0.496 124 Y N 0.293 120.649 120.300 0.093 0.000 2.442 124 Y HA 0.522 4.658 4.550 -0.691 0.000 0.344 124 Y C -2.570 173.392 175.900 0.103 0.000 0.976 124 Y CA -2.533 55.609 58.100 0.069 0.000 1.040 124 Y CB 1.993 40.473 38.460 0.033 0.000 1.228 124 Y HN 0.525 nan 8.280 nan 0.000 0.451 125 P HA 0.147 nan 4.420 nan 0.000 0.266 125 P C -1.144 176.328 177.300 0.285 0.000 1.195 125 P CA 0.051 63.276 63.100 0.208 0.000 0.768 125 P CB 0.653 32.411 31.700 0.096 0.000 0.838 126 V N 3.434 123.537 119.914 0.316 0.000 2.638 126 V HA 0.483 4.186 4.120 -0.695 0.000 0.306 126 V C -0.307 175.956 176.094 0.282 0.000 1.052 126 V CA -0.459 62.038 62.300 0.328 0.000 0.885 126 V CB 1.686 33.604 31.823 0.158 0.000 0.999 126 V HN 0.481 nan 8.190 nan 0.000 0.424 127 Q N 2.444 122.416 119.800 0.288 0.000 2.331 127 Q HA 0.523 4.446 4.340 -0.695 0.000 0.272 127 Q C -1.262 174.769 176.000 0.052 0.000 1.062 127 Q CA -0.616 55.215 55.803 0.047 0.000 0.806 127 Q CB 2.806 31.395 28.738 -0.248 0.000 1.312 127 Q HN 0.820 nan 8.270 nan 0.000 0.431 128 E N 1.129 121.334 120.200 0.009 0.000 2.175 128 E HA 0.717 4.650 4.350 -0.695 0.000 0.278 128 E C -1.426 175.194 176.600 0.033 0.000 0.969 128 E CA -0.563 55.856 56.400 0.032 0.000 0.796 128 E CB 1.885 31.585 29.700 -0.001 0.000 1.104 128 E HN 0.568 nan 8.360 nan 0.000 0.395 129 A N 3.081 125.970 122.820 0.117 0.000 2.517 129 A HA 0.396 4.299 4.320 -0.695 0.000 0.297 129 A C -0.575 177.087 177.584 0.130 0.000 1.050 129 A CA -0.799 51.289 52.037 0.085 0.000 0.694 129 A CB 0.975 20.007 19.000 0.053 0.000 1.277 129 A HN 0.489 nan 8.150 nan 0.000 0.400 130 K N 0.840 121.242 120.400 0.003 0.000 3.035 130 K HA -0.219 3.684 4.320 -0.695 0.000 0.262 130 K C 0.979 177.624 176.600 0.075 0.000 1.024 130 K CA 1.649 57.912 56.287 -0.041 0.000 0.748 130 K CB -1.957 30.393 32.500 -0.250 0.000 1.247 130 K HN 2.589 nan 8.250 nan 0.000 0.482 131 G N -1.406 107.442 108.800 0.080 0.000 2.168 131 G HA2 -0.373 3.170 3.960 -0.695 0.000 0.257 131 G HA3 -0.373 3.170 3.960 -0.695 0.000 0.257 131 G C 0.295 175.322 174.900 0.211 0.000 0.997 131 G CA 0.415 45.592 45.100 0.128 0.000 0.708 131 G HN 0.460 nan 8.290 nan 0.000 0.520 132 C N -0.090 119.280 119.300 0.116 0.000 2.417 132 C HA 0.672 4.715 4.460 -0.695 0.000 0.324 132 C C 0.670 175.479 174.990 -0.301 0.000 1.240 132 C CA -0.965 57.985 59.018 -0.115 0.000 1.632 132 C CB 1.689 29.304 27.740 -0.209 0.000 2.241 132 C HN 0.366 nan 8.230 nan 0.000 0.499 133 V N 3.461 123.104 119.914 -0.452 0.000 2.385 133 V HA 0.343 4.046 4.120 -0.695 0.000 0.269 133 V C -0.461 175.306 176.094 -0.545 0.000 1.043 133 V CA 0.108 62.205 62.300 -0.339 0.000 0.906 133 V CB 0.024 31.717 31.823 -0.218 0.000 0.995 133 V HN 0.668 nan 8.190 nan 0.000 0.467 134 F N 5.131 124.988 119.950 -0.154 0.000 2.443 134 F HA 0.636 4.743 4.527 -0.700 0.000 0.335 134 F C 0.229 176.180 175.800 0.251 0.000 1.104 134 F CA -0.586 57.384 58.000 -0.051 0.000 1.013 134 F CB 1.547 40.477 39.000 -0.116 0.000 1.136 134 F HN 0.251 nan 8.300 nan 0.000 0.470 135 I N 3.457 124.285 120.570 0.430 0.000 2.436 135 I HA 0.158 3.911 4.170 -0.695 0.000 0.289 135 I C -1.247 174.994 176.117 0.206 0.000 1.010 135 I CA -1.082 60.405 61.300 0.312 0.000 1.098 135 I CB 1.760 39.818 38.000 0.097 0.000 1.266 135 I HN 0.469 nan 8.210 nan 0.000 0.434 136 Y N 7.539 127.628 120.300 -0.352 0.000 2.600 136 Y HA 0.221 4.354 4.550 -0.696 0.000 0.351 136 Y C -0.289 175.392 175.900 -0.365 0.000 1.042 136 Y CA -0.572 57.049 58.100 -0.799 0.000 1.333 136 Y CB 0.488 38.018 38.460 -1.550 0.000 1.172 136 Y HN 0.366 nan 8.280 nan 0.000 0.517 137 L N 7.304 128.176 121.223 -0.586 0.000 2.399 137 L HA 0.480 4.403 4.340 -0.695 0.000 0.257 137 L C 0.168 176.624 176.870 -0.690 0.000 1.236 137 L CA 0.526 54.937 54.840 -0.714 0.000 1.144 137 L CB -1.054 40.720 42.059 -0.474 0.000 1.379 137 L HN 0.894 nan 8.230 nan 0.000 0.414 138 G N 3.229 111.654 108.800 -0.625 0.000 2.606 138 G HA2 0.405 3.948 3.960 -0.695 0.000 0.300 138 G HA3 0.405 3.948 3.960 -0.695 0.000 0.300 138 G C -1.729 173.176 174.900 0.007 0.000 1.360 138 G CA -0.604 44.207 45.100 -0.482 0.000 0.783 138 G HN 0.301 nan 8.290 nan 0.000 0.484 139 D N -0.312 120.133 120.400 0.074 0.000 2.252 139 D HA 0.624 4.847 4.640 -0.695 0.000 0.245 139 D C 0.667 177.063 176.300 0.159 0.000 1.009 139 D CA 0.956 55.031 54.000 0.125 0.000 0.870 139 D CB 1.788 42.641 40.800 0.089 0.000 1.251 139 D HN 1.410 nan 8.370 nan 0.000 0.460 140 G N 1.551 110.418 108.800 0.112 0.000 2.781 140 G HA2 -0.171 3.372 3.960 -0.695 0.000 0.683 140 G HA3 -0.171 3.372 3.960 -0.695 0.000 0.683 140 G C -0.868 174.071 174.900 0.065 0.000 1.390 140 G CA -0.941 44.206 45.100 0.077 0.000 0.850 140 G HN 0.469 nan 8.290 nan 0.000 0.557 141 D N 2.148 122.554 120.400 0.010 0.000 2.458 141 D HA 0.391 4.614 4.640 -0.695 0.000 0.243 141 D C -0.912 175.292 176.300 -0.161 0.000 1.146 141 D CA 0.069 54.044 54.000 -0.041 0.000 0.877 141 D CB 0.725 41.511 40.800 -0.022 0.000 1.176 141 D HN 0.455 nan 8.370 nan 0.000 0.461 142 P HA 0.184 nan 4.420 nan 0.000 0.271 142 P C -2.421 174.682 177.300 -0.328 0.000 1.218 142 P CA -0.992 61.629 63.100 -0.798 0.000 0.780 142 P CB 0.203 31.340 31.700 -0.939 0.000 0.901 143 P HA 0.298 nan 4.420 nan 0.000 0.277 143 P C -2.474 174.891 177.300 0.108 0.000 1.271 143 P CA -1.876 61.198 63.100 -0.043 0.000 0.795 143 P CB -0.828 30.862 31.700 -0.016 0.000 1.101 144 P HA 0.001 nan 4.420 nan 0.000 0.269 144 P C 0.998 178.210 177.300 -0.145 0.000 1.209 144 P CA -0.293 62.774 63.100 -0.055 0.000 0.776 144 P CB 0.651 32.304 31.700 -0.079 0.000 0.876 145 L N 3.819 124.759 121.223 -0.472 0.000 2.079 145 L HA -0.186 3.738 4.340 -0.695 0.000 0.210 145 L C 2.387 178.972 176.870 -0.474 0.000 1.081 145 L CA 2.411 56.741 54.840 -0.850 0.000 0.752 145 L CB -1.600 39.808 42.059 -1.085 0.000 0.896 145 L HN 0.487 nan 8.230 nan 0.000 0.433 146 A N -0.433 122.198 122.820 -0.316 0.000 2.032 146 A HA -0.281 3.622 4.320 -0.695 0.000 0.221 146 A C 2.523 180.009 177.584 -0.163 0.000 1.165 146 A CA 1.801 53.704 52.037 -0.224 0.000 0.645 146 A CB -0.763 18.134 19.000 -0.171 0.000 0.807 146 A HN 0.559 nan 8.150 nan 0.000 0.453 147 R N -0.295 120.147 120.500 -0.096 0.000 2.105 147 R HA -0.149 3.774 4.340 -0.695 0.000 0.239 147 R C -0.033 176.283 176.300 0.027 0.000 1.135 147 R CA 1.711 57.803 56.100 -0.013 0.000 0.967 147 R CB -0.152 30.177 30.300 0.049 0.000 0.861 147 R HN 0.391 nan 8.270 nan 0.000 0.442 148 D N 0.544 120.962 120.400 0.030 0.000 2.525 148 D HA 0.060 4.283 4.640 -0.695 0.000 0.229 148 D C -0.340 175.964 176.300 0.006 0.000 1.202 148 D CA 0.240 54.295 54.000 0.091 0.000 0.828 148 D CB 0.933 41.866 40.800 0.222 0.000 1.008 148 D HN 0.294 nan 8.370 nan 0.000 0.493 149 T N -2.721 111.750 114.554 -0.138 0.000 2.906 149 T HA 0.631 4.565 4.350 -0.695 0.000 0.295 149 T C -3.075 171.360 174.700 -0.442 0.000 1.061 149 T CA -2.363 59.611 62.100 -0.209 0.000 1.000 149 T CB 2.835 71.581 68.868 -0.204 0.000 1.103 149 T HN -0.328 nan 8.240 nan 0.000 0.486 150 P HA 0.407 nan 4.420 nan 0.000 0.276 150 P C -2.664 174.301 177.300 -0.558 0.000 1.244 150 P CA -1.561 61.019 63.100 -0.867 0.000 0.801 150 P CB -0.517 30.913 31.700 -0.451 0.000 1.006 151 P HA 0.003 nan 4.420 nan 0.000 0.265 151 P C -0.124 177.161 177.300 -0.024 0.000 1.193 151 P CA 0.819 63.778 63.100 -0.235 0.000 0.765 151 P CB -0.135 31.496 31.700 -0.115 0.000 0.823 152 N N -0.030 118.649 118.700 -0.034 0.000 2.946 152 N HA -0.286 4.037 4.740 -0.695 0.000 0.207 152 N C 0.645 176.110 175.510 -0.073 0.000 0.906 152 N CA 0.953 54.014 53.050 0.018 0.000 1.035 152 N CB -2.359 36.224 38.487 0.159 0.000 0.998 152 N HN 0.385 nan 8.380 nan 0.000 0.595 153 F N 1.300 120.964 119.950 -0.476 0.000 2.192 153 F HA 0.031 4.146 4.527 -0.687 0.000 0.301 153 F C 1.319 176.922 175.800 -0.328 0.000 1.079 153 F CA 1.495 59.029 58.000 -0.777 0.000 1.303 153 F CB 0.002 38.472 39.000 -0.883 0.000 1.024 153 F HN 0.161 nan 8.300 nan 0.000 0.494 154 L N 0.071 121.157 121.223 -0.229 0.000 2.685 154 L HA 0.116 4.039 4.340 -0.695 0.000 0.233 154 L C -0.202 176.555 176.870 -0.189 0.000 1.173 154 L CA -0.398 54.300 54.840 -0.237 0.000 0.961 154 L CB -0.677 41.301 42.059 -0.134 0.000 1.217 154 L HN -0.145 nan 8.230 nan 0.000 0.478 155 D N 0.831 121.132 120.400 -0.164 0.000 2.455 155 D HA -0.054 4.169 4.640 -0.695 0.000 0.241 155 D C 0.929 177.159 176.300 -0.116 0.000 1.138 155 D CA 0.165 54.100 54.000 -0.109 0.000 0.877 155 D CB 1.118 41.877 40.800 -0.069 0.000 1.187 155 D HN 0.040 nan 8.370 nan 0.000 0.451 156 D N 1.504 121.850 120.400 -0.090 0.000 2.158 156 D HA -0.195 4.028 4.640 -0.695 0.000 0.197 156 D C 1.199 177.454 176.300 -0.075 0.000 0.995 156 D CA 1.271 55.222 54.000 -0.082 0.000 0.846 156 D CB 0.015 40.777 40.800 -0.063 0.000 0.941 156 D HN 0.619 nan 8.370 nan 0.000 0.456 157 D N -0.867 119.494 120.400 -0.066 0.000 2.348 157 D HA -0.053 4.170 4.640 -0.695 0.000 0.211 157 D C 0.809 177.067 176.300 -0.070 0.000 0.998 157 D CA -0.113 53.851 54.000 -0.059 0.000 0.873 157 D CB -0.206 40.565 40.800 -0.049 0.000 0.925 157 D HN -0.024 nan 8.370 nan 0.000 0.524 158 M N 1.777 121.326 119.600 -0.085 0.000 2.292 158 M HA 0.170 4.233 4.480 -0.695 0.000 0.342 158 M C -0.595 175.647 176.300 -0.097 0.000 1.538 158 M CA -0.419 54.828 55.300 -0.088 0.000 1.163 158 M CB 0.575 33.115 32.600 -0.099 0.000 1.823 158 M HN -0.088 nan 8.290 nan 0.000 0.462 159 E N 5.150 125.314 120.200 -0.061 0.000 2.194 159 E HA 0.330 4.263 4.350 -0.695 0.000 0.284 159 E C -1.339 175.307 176.600 0.077 0.000 1.035 159 E CA -0.178 56.227 56.400 0.008 0.000 0.836 159 E CB 0.418 30.169 29.700 0.084 0.000 1.070 159 E HN 0.590 nan 8.360 nan 0.000 0.401 160 I N 6.404 126.984 120.570 0.017 0.000 2.354 160 I HA 0.372 4.125 4.170 -0.695 0.000 0.292 160 I C -0.298 175.806 176.117 -0.021 0.000 0.989 160 I CA -0.629 60.700 61.300 0.050 0.000 1.188 160 I CB 0.516 38.506 38.000 -0.016 0.000 1.342 160 I HN 0.623 nan 8.210 nan 0.000 0.457 161 L N 4.927 126.064 121.223 -0.144 0.000 2.393 161 L HA 0.932 4.855 4.340 -0.695 0.000 0.260 161 L C 0.160 176.730 176.870 -0.500 0.000 1.002 161 L CA -0.433 54.056 54.840 -0.585 0.000 0.818 161 L CB 2.602 43.856 42.059 -1.342 0.000 1.369 161 L HN 0.766 nan 8.230 nan 0.000 0.412 162 G N 1.177 109.704 108.800 -0.456 0.000 2.428 162 G HA2 0.484 4.027 3.960 -0.695 0.000 0.305 162 G HA3 0.484 4.027 3.960 -0.695 0.000 0.305 162 G C -2.244 172.605 174.900 -0.085 0.000 1.260 162 G CA -0.551 44.558 45.100 0.016 0.000 0.853 162 G HN 0.673 nan 8.290 nan 0.000 0.480 163 K N -1.191 119.241 120.400 0.054 0.000 2.533 163 K HA 0.768 4.671 4.320 -0.695 0.000 0.272 163 K C -1.482 175.140 176.600 0.037 0.000 0.985 163 K CA -1.068 55.242 56.287 0.037 0.000 0.876 163 K CB 2.430 34.953 32.500 0.039 0.000 1.452 163 K HN 0.601 nan 8.250 nan 0.000 0.439 164 N N 0.400 119.169 118.700 0.115 0.000 2.277 164 N HA 0.318 4.641 4.740 -0.695 0.000 0.286 164 N C -2.122 173.501 175.510 0.188 0.000 1.140 164 N CA -0.386 52.708 53.050 0.074 0.000 0.799 164 N CB 2.168 40.653 38.487 -0.002 0.000 1.596 164 N HN 0.814 nan 8.380 nan 0.000 0.473 165 Q N 1.141 121.110 119.800 0.282 0.000 2.687 165 Q HA 0.485 4.408 4.340 -0.695 0.000 0.295 165 Q C -1.437 174.756 176.000 0.321 0.000 0.920 165 Q CA -0.853 55.120 55.803 0.284 0.000 0.766 165 Q CB 1.189 30.061 28.738 0.224 0.000 1.467 165 Q HN 0.493 nan 8.270 nan 0.000 0.415 166 I N 1.835 122.517 120.570 0.188 0.000 2.315 166 I HA 0.355 4.109 4.170 -0.695 0.000 0.291 166 I C -0.523 175.572 176.117 -0.036 0.000 1.006 166 I CA -0.912 60.398 61.300 0.016 0.000 1.265 166 I CB 0.928 38.896 38.000 -0.053 0.000 1.387 166 I HN 0.463 nan 8.210 nan 0.000 0.475 167 I N 6.224 126.670 120.570 -0.208 0.000 2.441 167 I HA 0.260 4.013 4.170 -0.695 0.000 0.295 167 I C 0.240 176.221 176.117 -0.227 0.000 0.994 167 I CA -0.896 60.265 61.300 -0.232 0.000 1.144 167 I CB 1.749 39.537 38.000 -0.354 0.000 1.314 167 I HN 0.490 nan 8.210 nan 0.000 0.445 168 K N 4.336 124.703 120.400 -0.054 0.000 2.187 168 K HA 0.300 4.203 4.320 -0.695 0.000 0.242 168 K C -0.233 176.411 176.600 0.073 0.000 1.179 168 K CA -0.093 56.199 56.287 0.009 0.000 1.097 168 K CB 0.197 32.713 32.500 0.026 0.000 1.634 168 K HN 0.727 nan 8.250 nan 0.000 0.335 169 S N 0.393 116.180 115.700 0.145 0.000 2.578 169 S HA 0.141 4.194 4.470 -0.695 0.000 0.272 169 S C -1.063 173.698 174.600 0.268 0.000 1.145 169 S CA -1.185 57.123 58.200 0.181 0.000 0.835 169 S CB 1.051 64.351 63.200 0.168 0.000 1.104 169 S HN 0.475 nan 8.310 nan 0.000 0.458 170 N N 1.534 120.312 118.700 0.131 0.000 2.441 170 N HA 0.001 4.324 4.740 -0.695 0.000 0.251 170 N C 1.620 177.141 175.510 0.018 0.000 1.242 170 N CA 0.350 53.465 53.050 0.108 0.000 0.898 170 N CB 0.422 38.909 38.487 0.001 0.000 1.100 170 N HN 0.927 nan 8.380 nan 0.000 0.443 171 W N 5.091 126.371 121.300 -0.033 0.000 2.350 171 W HA -0.143 4.098 4.660 -0.698 0.000 0.289 171 W C 1.161 177.571 176.519 -0.181 0.000 1.215 171 W CA 0.377 57.630 57.345 -0.154 0.000 1.236 171 W CB -0.775 28.691 29.460 0.009 0.000 1.130 171 W HN 0.585 nan 8.180 nan 0.000 0.541 172 R N 0.800 120.624 120.500 -1.128 0.000 2.115 172 R HA -0.041 3.882 4.340 -0.695 0.000 0.230 172 R C 2.540 178.564 176.300 -0.460 0.000 1.111 172 R CA 1.711 57.244 56.100 -0.945 0.000 0.976 172 R CB -0.587 29.095 30.300 -1.031 0.000 0.870 172 R HN 0.247 nan 8.270 nan 0.000 0.445 173 L N 0.013 120.985 121.223 -0.418 0.000 2.141 173 L HA -0.103 3.820 4.340 -0.695 0.000 0.209 173 L C 2.619 179.233 176.870 -0.426 0.000 1.094 173 L CA 1.015 55.629 54.840 -0.377 0.000 0.763 173 L CB -0.573 41.317 42.059 -0.282 0.000 0.908 173 L HN 0.240 nan 8.230 nan 0.000 0.437 174 A N -0.036 122.459 122.820 -0.542 0.000 1.873 174 A HA -0.129 3.774 4.320 -0.695 0.000 0.215 174 A C 2.356 179.247 177.584 -1.155 0.000 1.186 174 A CA 1.589 53.155 52.037 -0.785 0.000 0.616 174 A CB -0.814 17.613 19.000 -0.955 0.000 0.823 174 A HN 0.141 nan 8.150 nan 0.000 0.442 175 V N 0.435 119.737 119.914 -1.020 0.000 2.255 175 V HA -0.291 3.412 4.120 -0.695 0.000 0.247 175 V C 2.260 178.015 176.094 -0.565 0.000 1.051 175 V CA 2.373 64.168 62.300 -0.841 0.000 1.018 175 V CB -0.879 30.716 31.823 -0.380 0.000 0.641 175 V HN 0.647 nan 8.190 nan 0.000 0.445 176 E N -0.283 119.685 120.200 -0.388 0.000 2.478 176 E HA -0.155 3.778 4.350 -0.695 0.000 0.198 176 E C 1.848 178.268 176.600 -0.300 0.000 1.046 176 E CA 0.752 57.005 56.400 -0.244 0.000 0.870 176 E CB -0.137 29.494 29.700 -0.115 0.000 0.818 176 E HN 0.667 nan 8.360 nan 0.000 0.527 177 N N 0.186 118.629 118.700 -0.428 0.000 2.305 177 N HA -0.055 4.268 4.740 -0.695 0.000 0.179 177 N C 1.886 176.971 175.510 -0.708 0.000 1.019 177 N CA 1.250 53.989 53.050 -0.518 0.000 0.869 177 N CB -0.104 38.101 38.487 -0.469 0.000 1.000 177 N HN 0.075 nan 8.380 nan 0.000 0.431 178 G N -0.811 107.693 108.800 -0.492 0.000 2.402 178 G HA2 -0.190 3.353 3.960 -0.695 0.000 0.216 178 G HA3 -0.190 3.353 3.960 -0.695 0.000 0.216 178 G C 0.956 175.810 174.900 -0.078 0.000 1.162 178 G CA 0.267 45.233 45.100 -0.225 0.000 0.777 178 G HN 0.374 nan 8.290 nan 0.000 0.539 179 F N 1.749 121.526 119.950 -0.288 0.000 2.731 179 F HA 0.299 4.374 4.527 -0.753 0.000 0.304 179 F C 0.401 176.108 175.800 -0.156 0.000 1.133 179 F CA -1.309 56.553 58.000 -0.230 0.000 1.380 179 F CB 0.039 38.826 39.000 -0.356 0.000 1.079 179 F HN -0.043 nan 8.300 nan 0.000 0.550 180 D N 1.222 121.492 120.400 -0.217 0.000 2.325 180 D HA 0.111 4.334 4.640 -0.695 0.000 0.251 180 D C -1.922 174.404 176.300 0.044 0.000 1.196 180 D CA -1.890 52.026 54.000 -0.140 0.000 0.866 180 D CB 1.887 42.619 40.800 -0.114 0.000 1.101 180 D HN 0.058 nan 8.370 nan 0.000 0.476 181 P HA -0.022 nan 4.420 nan 0.000 0.217 181 P C 0.960 178.323 177.300 0.104 0.000 1.151 181 P CA 0.656 63.754 63.100 -0.003 0.000 0.828 181 P CB 0.401 32.038 31.700 -0.106 0.000 0.788 182 S N -1.335 114.410 115.700 0.075 0.000 2.558 182 S HA -0.068 3.985 4.470 -0.695 0.000 0.217 182 S C 1.672 176.335 174.600 0.105 0.000 0.975 182 S CA 0.101 58.362 58.200 0.101 0.000 0.912 182 S CB -1.030 62.290 63.200 0.200 0.000 0.776 182 S HN 0.429 nan 8.310 nan 0.000 0.526 183 H N 2.198 121.285 119.070 0.029 0.000 2.546 183 H HA 0.077 4.302 4.556 -0.551 0.000 0.277 183 H C 1.711 177.021 175.328 -0.030 0.000 1.004 183 H CA 0.954 56.994 56.048 -0.015 0.000 1.231 183 H CB -0.618 29.100 29.762 -0.074 0.000 1.382 183 H HN 0.583 nan 8.280 nan 0.000 0.580 184 I N -1.645 118.557 120.570 -0.613 0.000 3.010 184 I HA -0.198 3.555 4.170 -0.695 0.000 0.271 184 I C 2.241 178.235 176.117 -0.205 0.000 1.293 184 I CA 0.794 61.844 61.300 -0.416 0.000 1.452 184 I CB -1.048 36.890 38.000 -0.103 0.000 1.082 184 I HN -0.018 nan 8.210 nan 0.000 0.484 185 Y N 3.318 123.470 120.300 -0.247 0.000 2.256 185 Y HA -0.216 3.913 4.550 -0.702 0.000 0.288 185 Y C 2.274 178.062 175.900 -0.187 0.000 1.155 185 Y CA 2.030 60.027 58.100 -0.171 0.000 1.203 185 Y CB -0.240 38.146 38.460 -0.123 0.000 0.980 185 Y HN 0.434 nan 8.280 nan 0.000 0.530 186 I N -2.811 117.576 120.570 -0.304 0.000 3.176 186 I HA -0.126 3.627 4.170 -0.695 0.000 0.275 186 I C 0.920 176.737 176.117 -0.500 0.000 1.298 186 I CA 1.219 62.271 61.300 -0.413 0.000 1.445 186 I CB -0.463 37.238 38.000 -0.498 0.000 1.075 186 I HN 0.128 nan 8.210 nan 0.000 0.482 187 H N 2.465 121.343 119.070 -0.319 0.000 2.520 187 H HA 0.163 4.287 4.556 -0.720 0.000 0.284 187 H C 1.424 176.664 175.328 -0.147 0.000 1.037 187 H CA 0.200 56.046 56.048 -0.337 0.000 1.168 187 H CB 0.163 29.548 29.762 -0.629 0.000 1.497 187 H HN 0.598 nan 8.280 nan 0.000 0.547 188 K N 0.072 120.403 120.400 -0.115 0.000 2.362 188 K HA -0.069 3.834 4.320 -0.695 0.000 0.200 188 K C 0.099 176.680 176.600 -0.033 0.000 1.046 188 K CA 1.280 57.507 56.287 -0.100 0.000 0.952 188 K CB 0.365 32.707 32.500 -0.264 0.000 0.753 188 K HN -0.011 nan 8.250 nan 0.000 0.466 189 D N 0.957 121.348 120.400 -0.014 0.000 2.469 189 D HA 0.014 4.237 4.640 -0.695 0.000 0.213 189 D C -0.278 176.068 176.300 0.077 0.000 1.135 189 D CA 0.028 54.043 54.000 0.024 0.000 0.834 189 D CB 0.751 41.553 40.800 0.004 0.000 1.009 189 D HN 0.133 nan 8.370 nan 0.000 0.507 190 S N 1.138 116.911 115.700 0.122 0.000 2.558 190 S HA 0.005 4.058 4.470 -0.695 0.000 0.288 190 S C 1.890 176.596 174.600 0.176 0.000 1.318 190 S CA -0.488 57.822 58.200 0.183 0.000 1.056 190 S CB 0.341 63.719 63.200 0.297 0.000 0.853 190 S HN 0.260 nan 8.310 nan 0.000 0.505 191 I N 3.090 123.752 120.570 0.152 0.000 2.700 191 I HA -0.054 3.699 4.170 -0.695 0.000 0.261 191 I C 1.921 178.111 176.117 0.122 0.000 1.219 191 I CA 1.009 62.377 61.300 0.114 0.000 1.463 191 I CB -0.437 37.615 38.000 0.087 0.000 1.092 191 I HN 0.566 nan 8.210 nan 0.000 0.452 192 L N 1.083 122.414 121.223 0.180 0.000 2.093 192 L HA -0.069 3.854 4.340 -0.695 0.000 0.208 192 L C 2.382 179.319 176.870 0.112 0.000 1.085 192 L CA 1.527 56.452 54.840 0.141 0.000 0.755 192 L CB -0.395 41.759 42.059 0.159 0.000 0.904 192 L HN 0.078 nan 8.230 nan 0.000 0.435 193 V N 0.270 120.283 119.914 0.166 0.000 2.233 193 V HA -0.353 3.350 4.120 -0.695 0.000 0.247 193 V C 2.615 178.764 176.094 0.091 0.000 1.050 193 V CA 2.437 64.819 62.300 0.136 0.000 1.010 193 V CB -0.813 31.105 31.823 0.158 0.000 0.637 193 V HN 0.575 nan 8.190 nan 0.000 0.444 194 K N 0.175 120.625 120.400 0.083 0.000 1.980 194 K HA -0.204 3.699 4.320 -0.695 0.000 0.208 194 K C 1.851 178.481 176.600 0.050 0.000 1.043 194 K CA 2.058 58.383 56.287 0.063 0.000 0.938 194 K CB -0.447 32.087 32.500 0.056 0.000 0.724 194 K HN 0.408 nan 8.250 nan 0.000 0.438 195 D N 0.376 120.804 120.400 0.046 0.000 2.271 195 D HA -0.160 4.063 4.640 -0.695 0.000 0.207 195 D C 1.124 177.437 176.300 0.022 0.000 0.983 195 D CA 1.183 55.199 54.000 0.026 0.000 0.878 195 D CB -0.153 40.659 40.800 0.020 0.000 0.920 195 D HN 0.296 nan 8.370 nan 0.000 0.479 196 N N -0.080 118.644 118.700 0.039 0.000 2.187 196 N HA -0.005 4.318 4.740 -0.695 0.000 0.212 196 N C -1.001 174.535 175.510 0.043 0.000 1.152 196 N CA -0.033 53.044 53.050 0.045 0.000 0.872 196 N CB 0.359 38.888 38.487 0.071 0.000 1.025 196 N HN -0.188 nan 8.380 nan 0.000 0.514 197 D N 0.311 120.738 120.400 0.044 0.000 2.803 197 D HA -0.203 4.020 4.640 -0.695 0.000 0.233 197 D C -0.997 175.334 176.300 0.053 0.000 1.182 197 D CA 0.592 54.622 54.000 0.049 0.000 0.726 197 D CB -0.984 39.841 40.800 0.042 0.000 0.987 197 D HN 0.342 nan 8.370 nan 0.000 0.412 198 L N 0.106 121.364 121.223 0.058 0.000 2.360 198 L HA 0.699 4.622 4.340 -0.695 0.000 0.271 198 L C 0.930 177.863 176.870 0.104 0.000 1.057 198 L CA -0.770 54.109 54.840 0.065 0.000 0.803 198 L CB 1.484 43.572 42.059 0.048 0.000 1.207 198 L HN 0.303 nan 8.230 nan 0.000 0.445 199 A N 3.442 126.341 122.820 0.132 0.000 2.294 199 A HA 0.617 4.520 4.320 -0.695 0.000 0.316 199 A C -0.907 176.821 177.584 0.241 0.000 1.359 199 A CA -0.222 51.932 52.037 0.194 0.000 0.956 199 A CB 0.220 19.335 19.000 0.193 0.000 1.155 199 A HN 0.477 nan 8.150 nan 0.000 0.544 200 L N 5.882 127.235 121.223 0.217 0.000 2.446 200 L HA 0.552 4.475 4.340 -0.695 0.000 0.268 200 L C -2.479 174.267 176.870 -0.206 0.000 0.975 200 L CA -1.537 53.343 54.840 0.067 0.000 0.848 200 L CB 2.544 44.677 42.059 0.124 0.000 1.225 200 L HN 0.445 nan 8.230 nan 0.000 0.410 201 P HA 0.171 nan 4.420 nan 0.000 0.274 201 P C 0.821 177.737 177.300 -0.640 0.000 1.256 201 P CA -0.358 61.979 63.100 -1.271 0.000 0.795 201 P CB 1.229 31.911 31.700 -1.696 0.000 1.038 202 L N -0.768 120.175 121.223 -0.467 0.000 2.083 202 L HA 0.071 3.994 4.340 -0.695 0.000 0.209 202 L C 1.476 178.254 176.870 -0.154 0.000 1.083 202 L CA 1.778 56.524 54.840 -0.157 0.000 0.752 202 L CB -0.811 41.259 42.059 0.019 0.000 0.899 202 L HN 0.575 nan 8.230 nan 0.000 0.433 203 G N -1.905 106.707 108.800 -0.312 0.000 2.703 203 G HA2 0.467 4.010 3.960 -0.695 0.000 0.294 203 G HA3 0.467 4.010 3.960 -0.695 0.000 0.294 203 G C -1.733 172.945 174.900 -0.371 0.000 1.451 203 G CA -0.585 44.368 45.100 -0.246 0.000 0.869 203 G HN -0.200 nan 8.290 nan 0.000 0.516 204 F N 1.777 121.668 119.950 -0.098 0.000 2.350 204 F HA 0.615 4.720 4.527 -0.704 0.000 0.365 204 F C 0.983 176.731 175.800 -0.086 0.000 1.122 204 F CA -0.356 57.587 58.000 -0.094 0.000 1.139 204 F CB 1.567 40.516 39.000 -0.085 0.000 1.220 204 F HN 0.625 nan 8.300 nan 0.000 0.499 205 A N 5.849 128.713 122.820 0.072 0.000 2.322 205 A HA 0.609 4.512 4.320 -0.695 0.000 0.269 205 A C -2.388 175.212 177.584 0.027 0.000 1.094 205 A CA -1.664 50.386 52.037 0.022 0.000 0.807 205 A CB -0.082 18.928 19.000 0.016 0.000 1.047 205 A HN 0.423 nan 8.150 nan 0.000 0.487 206 P HA 0.119 nan 4.420 nan 0.000 0.271 206 P C 0.639 177.948 177.300 0.015 0.000 1.233 206 P CA 0.505 63.594 63.100 -0.018 0.000 0.764 206 P CB 0.620 32.282 31.700 -0.062 0.000 0.825 207 G N 3.102 111.925 108.800 0.040 0.000 2.394 207 G HA2 0.165 3.708 3.960 -0.695 0.000 0.256 207 G HA3 0.165 3.708 3.960 -0.695 0.000 0.256 207 G C 1.282 176.201 174.900 0.033 0.000 1.504 207 G CA 0.319 45.451 45.100 0.054 0.000 1.051 207 G HN 0.481 nan 8.290 nan 0.000 0.550 208 G N -1.781 107.041 108.800 0.036 0.000 2.608 208 G HA2 0.089 3.632 3.960 -0.695 0.000 0.210 208 G HA3 0.089 3.632 3.960 -0.695 0.000 0.210 208 G C 0.389 175.290 174.900 0.002 0.000 1.139 208 G CA 0.404 45.516 45.100 0.020 0.000 0.812 208 G HN 0.467 nan 8.290 nan 0.000 0.529 209 D N 0.691 121.085 120.400 -0.010 0.000 2.499 209 D HA 0.204 4.427 4.640 -0.695 0.000 0.225 209 D C 1.732 177.980 176.300 -0.087 0.000 1.124 209 D CA -0.476 53.492 54.000 -0.053 0.000 0.938 209 D CB 0.971 41.723 40.800 -0.081 0.000 1.014 209 D HN 0.284 nan 8.370 nan 0.000 0.517 210 R N 2.545 123.011 120.500 -0.056 0.000 2.097 210 R HA -0.142 3.781 4.340 -0.695 0.000 0.236 210 R C 1.701 177.957 176.300 -0.074 0.000 1.135 210 R CA 1.058 57.126 56.100 -0.054 0.000 0.934 210 R CB -0.296 29.985 30.300 -0.032 0.000 0.846 210 R HN 0.088 nan 8.270 nan 0.000 0.431 211 K N 0.246 120.605 120.400 -0.068 0.000 2.442 211 K HA -0.116 3.787 4.320 -0.695 0.000 0.199 211 K C 2.073 178.603 176.600 -0.117 0.000 1.044 211 K CA 1.385 57.632 56.287 -0.066 0.000 0.941 211 K CB 0.060 32.532 32.500 -0.045 0.000 0.759 211 K HN 0.451 nan 8.250 nan 0.000 0.472 212 Q N -0.592 119.078 119.800 -0.216 0.000 2.297 212 Q HA -0.083 3.840 4.340 -0.695 0.000 0.203 212 Q C 1.951 177.649 176.000 -0.504 0.000 0.931 212 Q CA 0.532 56.072 55.803 -0.437 0.000 0.885 212 Q CB 0.296 28.619 28.738 -0.691 0.000 0.991 212 Q HN 0.328 nan 8.270 nan 0.000 0.498 213 Q N 0.404 120.034 119.800 -0.283 0.000 2.123 213 Q HA -0.061 3.862 4.340 -0.695 0.000 0.199 213 Q C 0.507 176.526 176.000 0.032 0.000 0.966 213 Q CA 0.937 56.727 55.803 -0.023 0.000 0.845 213 Q CB 0.346 29.093 28.738 0.015 0.000 0.907 213 Q HN 0.027 nan 8.270 nan 0.000 0.439 214 T N 0.338 114.892 114.554 0.000 0.000 2.767 214 T HA 0.372 4.305 4.350 -0.695 0.000 0.288 214 T C -1.064 173.669 174.700 0.055 0.000 0.963 214 T CA -0.664 61.466 62.100 0.050 0.000 1.019 214 T CB 0.820 69.709 68.868 0.035 0.000 0.923 214 T HN 0.208 nan 8.240 nan 0.000 0.468 215 R N 4.841 125.409 120.500 0.114 0.000 2.422 215 R HA 0.547 4.470 4.340 -0.695 0.000 0.307 215 R C -1.370 174.995 176.300 0.108 0.000 1.004 215 R CA -0.608 55.554 56.100 0.104 0.000 0.882 215 R CB 1.036 31.398 30.300 0.104 0.000 1.164 215 R HN 0.516 nan 8.270 nan 0.000 0.489 216 V N 5.367 125.310 119.914 0.048 0.000 2.488 216 V HA 0.192 3.895 4.120 -0.695 0.000 0.277 216 V C -0.022 176.079 176.094 0.011 0.000 1.046 216 V CA -0.441 61.860 62.300 0.001 0.000 0.986 216 V CB 1.471 33.296 31.823 0.004 0.000 0.989 216 V HN 0.461 nan 8.190 nan 0.000 0.475 217 V N 5.293 125.186 119.914 -0.036 0.000 2.347 217 V HA 0.426 4.129 4.120 -0.695 0.000 0.280 217 V C 0.090 176.171 176.094 -0.022 0.000 1.021 217 V CA -0.279 62.043 62.300 0.036 0.000 0.847 217 V CB 1.345 33.259 31.823 0.152 0.000 0.990 217 V HN 1.156 nan 8.190 nan 0.000 0.444 218 D N 1.302 121.688 120.400 -0.024 0.000 2.651 218 D HA 0.065 4.288 4.640 -0.695 0.000 0.280 218 D C 0.313 176.599 176.300 -0.024 0.000 1.496 218 D CA -0.184 53.751 54.000 -0.108 0.000 0.792 218 D CB 0.312 40.997 40.800 -0.191 0.000 1.144 218 D HN 0.548 nan 8.370 nan 0.000 0.470 219 D N -0.923 119.494 120.400 0.028 0.000 2.540 219 D HA -0.007 4.216 4.640 -0.695 0.000 0.229 219 D C -0.362 175.970 176.300 0.054 0.000 1.250 219 D CA -0.320 53.702 54.000 0.038 0.000 0.817 219 D CB 0.137 40.962 40.800 0.041 0.000 1.060 219 D HN 0.181 nan 8.370 nan 0.000 0.508 220 D N 1.624 122.069 120.400 0.075 0.000 2.417 220 D HA -0.041 4.182 4.640 -0.695 0.000 0.250 220 D C 1.676 177.999 176.300 0.039 0.000 1.166 220 D CA -0.190 53.857 54.000 0.079 0.000 0.881 220 D CB 2.108 42.978 40.800 0.117 0.000 1.164 220 D HN -0.216 nan 8.370 nan 0.000 0.467 221 V N 4.223 124.152 119.914 0.025 0.000 2.453 221 V HA -0.248 3.455 4.120 -0.695 0.000 0.252 221 V C 2.235 178.328 176.094 -0.001 0.000 1.068 221 V CA 1.188 63.494 62.300 0.010 0.000 1.070 221 V CB -0.278 31.547 31.823 0.003 0.000 0.664 221 V HN 0.574 nan 8.190 nan 0.000 0.461 222 V N 0.087 119.995 119.914 -0.010 0.000 3.461 222 V HA 0.307 4.010 4.120 -0.695 0.000 0.267 222 V C 1.848 177.937 176.094 -0.008 0.000 1.186 222 V CA 1.218 63.503 62.300 -0.025 0.000 1.154 222 V CB -0.459 31.330 31.823 -0.057 0.000 0.802 222 V HN 0.752 nan 8.190 nan 0.000 0.474 223 G N 0.550 109.357 108.800 0.012 0.000 2.175 223 G HA2 -0.257 3.286 3.960 -0.695 0.000 0.244 223 G HA3 -0.257 3.286 3.960 -0.695 0.000 0.244 223 G C 0.341 175.272 174.900 0.051 0.000 0.982 223 G CA -0.145 44.972 45.100 0.028 0.000 0.641 223 G HN 0.466 nan 8.290 nan 0.000 0.527 224 R N 0.244 120.776 120.500 0.054 0.000 2.697 224 R HA 0.345 4.268 4.340 -0.695 0.000 0.265 224 R C -0.141 176.290 176.300 0.218 0.000 1.009 224 R CA 0.480 56.652 56.100 0.121 0.000 1.099 224 R CB 0.281 30.594 30.300 0.022 0.000 0.965 224 R HN 0.025 nan 8.270 nan 0.000 0.428 225 K N 1.331 121.906 120.400 0.291 0.000 2.507 225 K HA 0.501 4.404 4.320 -0.695 0.000 0.252 225 K C -0.319 176.380 176.600 0.166 0.000 0.943 225 K CA -0.491 55.872 56.287 0.127 0.000 0.808 225 K CB 2.329 34.817 32.500 -0.019 0.000 1.142 225 K HN 0.903 nan 8.250 nan 0.000 0.426 226 G N 0.080 108.776 108.800 -0.173 0.000 2.548 226 G HA2 0.577 4.120 3.960 -0.695 0.000 0.301 226 G HA3 0.577 4.120 3.960 -0.695 0.000 0.301 226 G C -1.701 172.758 174.900 -0.734 0.000 1.349 226 G CA -0.481 44.192 45.100 -0.711 0.000 0.792 226 G HN 0.182 nan 8.290 nan 0.000 0.481 227 V N -0.007 119.364 119.914 -0.905 0.000 2.760 227 V HA 0.536 4.239 4.120 -0.695 0.000 0.309 227 V C -1.459 174.318 176.094 -0.528 0.000 1.077 227 V CA -0.764 61.228 62.300 -0.514 0.000 0.910 227 V CB 1.674 33.346 31.823 -0.253 0.000 1.008 227 V HN 0.666 nan 8.190 nan 0.000 0.424 228 Y N 1.657 121.877 120.300 -0.133 0.000 2.361 228 Y HA 0.561 4.699 4.550 -0.686 0.000 0.332 228 Y C 0.070 176.063 175.900 0.155 0.000 1.101 228 Y CA -0.514 57.603 58.100 0.030 0.000 1.137 228 Y CB 1.690 40.160 38.460 0.016 0.000 1.207 228 Y HN 0.709 nan 8.280 nan 0.000 0.463 229 D N 3.140 123.734 120.400 0.323 0.000 2.438 229 D HA 0.256 4.479 4.640 -0.695 0.000 0.257 229 D C -1.130 175.193 176.300 0.038 0.000 1.148 229 D CA -0.273 53.765 54.000 0.064 0.000 0.902 229 D CB 0.328 40.953 40.800 -0.292 0.000 1.062 229 D HN 0.480 nan 8.370 nan 0.000 0.518 230 L N 5.849 127.120 121.223 0.080 0.000 2.416 230 L HA 0.184 4.107 4.340 -0.695 0.000 0.243 230 L C 1.926 178.768 176.870 -0.047 0.000 1.373 230 L CA -0.282 54.585 54.840 0.045 0.000 1.227 230 L CB -0.671 41.497 42.059 0.182 0.000 1.428 230 L HN 0.568 nan 8.230 nan 0.000 0.425 231 I N -1.704 118.751 120.570 -0.192 0.000 2.163 231 I HA -0.118 3.635 4.170 -0.695 0.000 0.243 231 I C 2.263 178.201 176.117 -0.297 0.000 1.085 231 I CA 1.744 62.849 61.300 -0.324 0.000 1.347 231 I CB -0.716 36.811 38.000 -0.789 0.000 1.044 231 I HN 0.409 nan 8.210 nan 0.000 0.408 232 G N 0.381 108.976 108.800 -0.342 0.000 2.408 232 G HA2 -0.233 3.310 3.960 -0.695 0.000 0.217 232 G HA3 -0.233 3.310 3.960 -0.695 0.000 0.217 232 G C 1.655 176.486 174.900 -0.116 0.000 1.150 232 G CA 0.871 45.871 45.100 -0.168 0.000 0.776 232 G HN 0.601 nan 8.290 nan 0.000 0.542 233 E N -1.015 119.058 120.200 -0.213 0.000 2.250 233 E HA -0.024 3.909 4.350 -0.695 0.000 0.192 233 E C 1.585 177.864 176.600 -0.536 0.000 0.986 233 E CA 0.354 56.524 56.400 -0.384 0.000 0.849 233 E CB 0.177 29.553 29.700 -0.540 0.000 0.797 233 E HN 0.539 nan 8.360 nan 0.000 0.482 234 H N -1.775 117.286 119.070 -0.015 0.000 3.266 234 H HA 0.219 4.356 4.556 -0.697 0.000 0.246 234 H C 0.892 176.227 175.328 0.011 0.000 0.998 234 H CA 0.557 56.603 56.048 -0.002 0.000 1.152 234 H CB 0.135 29.889 29.762 -0.014 0.000 1.466 234 H HN 0.047 nan 8.280 nan 0.000 0.481 235 G N 1.367 110.228 108.800 0.101 0.000 2.684 235 G HA2 0.351 3.894 3.960 -0.695 0.000 0.255 235 G HA3 0.351 3.894 3.960 -0.695 0.000 0.255 235 G C -0.352 174.635 174.900 0.145 0.000 1.219 235 G CA -0.164 44.998 45.100 0.103 0.000 0.901 235 G HN 0.024 nan 8.290 nan 0.000 0.548 236 V N 1.702 121.710 119.914 0.157 0.000 2.448 236 V HA 0.325 4.028 4.120 -0.695 0.000 0.295 236 V C -2.154 174.018 176.094 0.131 0.000 1.025 236 V CA -1.342 61.043 62.300 0.143 0.000 0.859 236 V CB 2.227 34.104 31.823 0.090 0.000 0.988 236 V HN 0.538 nan 8.190 nan 0.000 0.431 237 P HA 0.215 nan 4.420 nan 0.000 0.281 237 P C -0.613 176.570 177.300 -0.196 0.000 1.286 237 P CA -0.104 62.911 63.100 -0.142 0.000 0.772 237 P CB 0.746 32.501 31.700 0.093 0.000 0.862 238 V N 5.601 125.288 119.914 -0.378 0.000 2.334 238 V HA 0.162 3.865 4.120 -0.695 0.000 0.267 238 V C 0.598 176.460 176.094 -0.387 0.000 1.040 238 V CA 0.332 62.496 62.300 -0.227 0.000 0.866 238 V CB -0.218 31.514 31.823 -0.152 0.000 1.019 238 V HN 0.513 nan 8.190 nan 0.000 0.468 239 F N 1.761 121.685 119.950 -0.043 0.000 2.717 239 F HA 0.286 4.399 4.527 -0.690 0.000 0.295 239 F C 1.171 176.976 175.800 0.008 0.000 1.117 239 F CA -0.027 57.927 58.000 -0.077 0.000 1.361 239 F CB 0.658 39.642 39.000 -0.026 0.000 1.112 239 F HN 0.419 nan 8.300 nan 0.000 0.594 240 E N 0.104 120.423 120.200 0.198 0.000 2.186 240 E HA 0.394 4.327 4.350 -0.695 0.000 0.255 240 E C 0.027 176.682 176.600 0.091 0.000 0.881 240 E CA -0.518 55.980 56.400 0.163 0.000 0.752 240 E CB 1.298 31.103 29.700 0.175 0.000 1.176 240 E HN 0.121 nan 8.360 nan 0.000 0.421 241 G N 2.300 111.148 108.800 0.080 0.000 2.355 241 G HA2 0.352 3.895 3.960 -0.695 0.000 0.276 241 G HA3 0.352 3.895 3.960 -0.695 0.000 0.276 241 G C 0.063 174.992 174.900 0.047 0.000 1.198 241 G CA -0.150 44.983 45.100 0.054 0.000 0.876 241 G HN 0.383 nan 8.290 nan 0.000 0.478 242 T N -0.652 113.917 114.554 0.024 0.000 2.924 242 T HA 0.751 4.684 4.350 -0.695 0.000 0.291 242 T C -0.427 174.274 174.700 0.003 0.000 1.045 242 T CA -0.852 61.260 62.100 0.021 0.000 1.015 242 T CB 1.968 70.850 68.868 0.024 0.000 1.103 242 T HN 0.354 nan 8.240 nan 0.000 0.496 243 I N 1.113 121.686 120.570 0.005 0.000 2.548 243 I HA 0.521 4.274 4.170 -0.695 0.000 0.287 243 I C 1.009 177.126 176.117 -0.001 0.000 1.103 243 I CA -0.673 60.623 61.300 -0.005 0.000 1.049 243 I CB 1.772 39.769 38.000 -0.006 0.000 1.232 243 I HN 1.134 nan 8.210 nan 0.000 0.429 244 G N 3.953 112.751 108.800 -0.004 0.000 2.166 244 G HA2 -0.177 3.366 3.960 -0.695 0.000 0.260 244 G HA3 -0.177 3.366 3.960 -0.695 0.000 0.260 244 G C 1.009 175.912 174.900 0.005 0.000 0.986 244 G CA 0.588 45.688 45.100 -0.001 0.000 0.683 244 G HN 1.618 nan 8.290 nan 0.000 0.527 245 G N -1.536 107.268 108.800 0.007 0.000 2.234 245 G HA2 -0.169 3.374 3.960 -0.695 0.000 0.235 245 G HA3 -0.169 3.374 3.960 -0.695 0.000 0.235 245 G C 0.114 175.024 174.900 0.017 0.000 0.997 245 G CA 0.913 46.021 45.100 0.013 0.000 0.623 245 G HN 1.063 nan 8.290 nan 0.000 0.514 246 E N 0.584 120.793 120.200 0.016 0.000 2.259 246 E HA 0.549 4.482 4.350 -0.695 0.000 0.281 246 E C 0.538 177.155 176.600 0.028 0.000 1.027 246 E CA -0.387 56.025 56.400 0.021 0.000 0.838 246 E CB 1.530 31.241 29.700 0.017 0.000 1.066 246 E HN 0.244 nan 8.360 nan 0.000 0.401 247 V N 5.090 125.025 119.914 0.036 0.000 2.479 247 V HA -0.001 3.702 4.120 -0.695 0.000 0.281 247 V C 1.156 177.279 176.094 0.048 0.000 1.031 247 V CA 0.381 62.711 62.300 0.049 0.000 1.038 247 V CB 0.674 32.534 31.823 0.061 0.000 0.981 247 V HN 0.681 nan 8.190 nan 0.000 0.478 248 V N 2.508 122.453 119.914 0.052 0.000 3.635 248 V HA 0.530 4.233 4.120 -0.695 0.000 0.266 248 V C 0.432 176.566 176.094 0.067 0.000 1.316 248 V CA 0.109 62.440 62.300 0.052 0.000 1.060 248 V CB 0.211 32.060 31.823 0.045 0.000 0.820 248 V HN 0.752 nan 8.190 nan 0.000 0.447 249 R N 0.398 120.947 120.500 0.082 0.000 2.604 249 R HA 0.553 4.476 4.340 -0.695 0.000 0.261 249 R C -1.537 174.824 176.300 0.101 0.000 1.080 249 R CA -0.192 55.962 56.100 0.090 0.000 0.917 249 R CB 1.709 32.077 30.300 0.114 0.000 1.252 249 R HN 0.470 nan 8.270 nan 0.000 0.456 250 E N 1.282 121.541 120.200 0.099 0.000 2.244 250 E HA 0.494 4.427 4.350 -0.695 0.000 0.266 250 E C -0.173 176.443 176.600 0.026 0.000 0.914 250 E CA -1.031 55.442 56.400 0.122 0.000 0.794 250 E CB 2.009 31.853 29.700 0.239 0.000 1.210 250 E HN 0.737 nan 8.360 nan 0.000 0.414 251 G N 0.611 109.384 108.800 -0.044 0.000 2.516 251 G HA2 0.421 3.964 3.960 -0.695 0.000 0.276 251 G HA3 0.421 3.964 3.960 -0.695 0.000 0.276 251 G C -0.682 174.112 174.900 -0.177 0.000 1.390 251 G CA -0.279 44.751 45.100 -0.117 0.000 1.050 251 G HN 0.492 nan 8.290 nan 0.000 0.519 252 A N -1.237 121.533 122.820 -0.083 0.000 2.260 252 A HA 0.589 4.492 4.320 -0.695 0.000 0.314 252 A C -1.074 176.448 177.584 -0.104 0.000 1.257 252 A CA -0.592 51.411 52.037 -0.056 0.000 0.871 252 A CB 0.420 19.449 19.000 0.049 0.000 1.166 252 A HN 0.564 nan 8.150 nan 0.000 0.522 253 Y N 2.532 122.876 120.300 0.074 0.000 2.933 253 Y HA 0.350 4.486 4.550 -0.691 0.000 0.380 253 Y C 1.466 177.352 175.900 -0.023 0.000 1.056 253 Y CA 0.012 58.072 58.100 -0.068 0.000 1.704 253 Y CB 0.087 38.470 38.460 -0.128 0.000 1.558 253 Y HN 0.757 nan 8.280 nan 0.000 0.501 254 G N -0.063 108.805 108.800 0.113 0.000 2.588 254 G HA2 0.110 3.653 3.960 -0.695 0.000 0.278 254 G HA3 0.110 3.653 3.960 -0.695 0.000 0.278 254 G C 0.639 175.584 174.900 0.074 0.000 1.307 254 G CA -0.385 44.769 45.100 0.090 0.000 1.016 254 G HN 0.460 nan 8.290 nan 0.000 0.503 255 E N -0.748 119.487 120.200 0.058 0.000 2.415 255 E HA 0.018 3.952 4.350 -0.695 0.000 0.197 255 E C 0.268 176.898 176.600 0.051 0.000 1.007 255 E CA 0.194 56.623 56.400 0.048 0.000 0.890 255 E CB 0.310 30.031 29.700 0.035 0.000 0.891 255 E HN 0.297 nan 8.360 nan 0.000 0.496 256 K N 1.890 122.322 120.400 0.053 0.000 2.316 256 K HA 0.185 4.088 4.320 -0.695 0.000 0.289 256 K C -0.307 176.332 176.600 0.065 0.000 1.070 256 K CA -0.167 56.147 56.287 0.045 0.000 0.928 256 K CB 1.146 33.663 32.500 0.027 0.000 1.039 256 K HN -0.070 nan 8.250 nan 0.000 0.480 257 I N 4.977 125.586 120.570 0.065 0.000 2.352 257 I HA 0.129 3.882 4.170 -0.695 0.000 0.290 257 I C 0.465 176.632 176.117 0.083 0.000 1.036 257 I CA -0.321 61.036 61.300 0.095 0.000 1.336 257 I CB 0.482 38.532 38.000 0.083 0.000 1.407 257 I HN 0.355 nan 8.210 nan 0.000 0.497 258 V N 2.680 122.674 119.914 0.133 0.000 3.167 258 V HA 0.913 4.616 4.120 -0.695 0.000 0.310 258 V C 0.464 176.676 176.094 0.197 0.000 1.207 258 V CA -0.867 61.524 62.300 0.153 0.000 1.059 258 V CB 1.422 33.349 31.823 0.173 0.000 1.079 258 V HN 1.047 nan 8.190 nan 0.000 0.446 259 A N 0.950 123.884 122.820 0.190 0.000 2.739 259 A HA -0.232 3.672 4.320 -0.695 0.000 0.296 259 A C 1.163 178.702 177.584 -0.075 0.000 1.488 259 A CA 1.372 53.439 52.037 0.051 0.000 0.746 259 A CB -2.699 16.341 19.000 0.067 0.000 1.047 259 A HN 1.834 nan 8.150 nan 0.000 0.477 260 N N 0.634 119.315 118.700 -0.032 0.000 2.188 260 N HA 0.018 4.341 4.740 -0.695 0.000 0.184 260 N C 0.248 175.691 175.510 -0.112 0.000 1.018 260 N CA 1.987 54.994 53.050 -0.072 0.000 0.858 260 N CB 0.038 38.510 38.487 -0.024 0.000 0.989 260 N HN 0.988 nan 8.380 nan 0.000 0.426 261 D N -1.631 118.743 120.400 -0.044 0.000 2.753 261 D HA 0.440 4.663 4.640 -0.695 0.000 0.224 261 D C -1.120 175.226 176.300 0.078 0.000 1.213 261 D CA -0.593 53.422 54.000 0.024 0.000 0.833 261 D CB 1.398 42.265 40.800 0.113 0.000 1.607 261 D HN 0.061 nan 8.370 nan 0.000 0.463 262 I N 0.883 121.520 120.570 0.111 0.000 2.608 262 I HA 0.638 4.391 4.170 -0.695 0.000 0.295 262 I C -0.683 175.579 176.117 0.243 0.000 1.049 262 I CA -0.768 60.613 61.300 0.135 0.000 1.063 262 I CB 2.206 40.237 38.000 0.052 0.000 1.248 262 I HN 0.646 nan 8.210 nan 0.000 0.424 263 S N 5.191 120.952 115.700 0.102 0.000 2.540 263 S HA 0.735 4.788 4.470 -0.695 0.000 0.275 263 S C -1.106 173.167 174.600 -0.545 0.000 1.123 263 S CA -0.706 57.295 58.200 -0.332 0.000 0.907 263 S CB 2.261 65.005 63.200 -0.759 0.000 1.081 263 S HN 0.489 nan 8.310 nan 0.000 0.476 264 I N 2.077 121.933 120.570 -1.189 0.000 2.404 264 I HA 0.821 4.574 4.170 -0.695 0.000 0.293 264 I C -1.903 173.619 176.117 -0.992 0.000 0.992 264 I CA -0.646 60.019 61.300 -1.059 0.000 1.149 264 I CB 0.898 37.942 38.000 -1.594 0.000 1.315 264 I HN 0.837 nan 8.210 nan 0.000 0.446 265 W N 6.752 127.843 121.300 -0.349 0.000 2.819 265 W HA 0.594 4.832 4.660 -0.703 0.000 0.337 265 W C -0.932 175.617 176.519 0.050 0.000 1.077 265 W CA -0.717 56.554 57.345 -0.124 0.000 1.226 265 W CB 0.951 30.309 29.460 -0.170 0.000 1.419 265 W HN 0.244 nan 8.180 nan 0.000 0.502 266 L N 4.830 126.301 121.223 0.413 0.000 2.483 266 L HA 0.057 3.980 4.340 -0.695 0.000 0.276 266 L C -0.791 176.178 176.870 0.165 0.000 1.213 266 L CA -1.031 54.001 54.840 0.320 0.000 0.843 266 L CB 0.723 42.867 42.059 0.143 0.000 1.107 266 L HN 0.260 nan 8.230 nan 0.000 0.487 267 P HA 0.056 nan 4.420 nan 0.000 0.245 267 P C 0.364 177.926 177.300 0.437 0.000 1.212 267 P CA 0.588 63.690 63.100 0.003 0.000 0.774 267 P CB 0.578 32.057 31.700 -0.368 0.000 0.999 268 G N -0.872 108.163 108.800 0.392 0.000 2.599 268 G HA2 0.146 3.689 3.960 -0.695 0.000 0.235 268 G HA3 0.146 3.689 3.960 -0.695 0.000 0.235 268 G C -1.542 173.453 174.900 0.159 0.000 3.235 268 G CA -0.291 45.071 45.100 0.436 0.000 0.824 268 G HN 0.259 nan 8.290 nan 0.000 0.510 269 V N 1.670 121.497 119.914 -0.145 0.000 2.686 269 V HA 0.878 4.581 4.120 -0.695 0.000 0.306 269 V C -0.746 175.170 176.094 -0.296 0.000 1.065 269 V CA -1.051 60.900 62.300 -0.582 0.000 0.894 269 V CB 1.836 32.794 31.823 -1.442 0.000 1.004 269 V HN 0.852 nan 8.190 nan 0.000 0.424 270 L N 5.943 127.021 121.223 -0.242 0.000 2.322 270 L HA 0.665 4.588 4.340 -0.695 0.000 0.279 270 L C -0.373 176.494 176.870 -0.005 0.000 1.036 270 L CA 0.052 54.865 54.840 -0.044 0.000 0.807 270 L CB 1.434 43.560 42.059 0.112 0.000 1.226 270 L HN 0.797 nan 8.230 nan 0.000 0.433 271 K N 4.091 124.543 120.400 0.087 0.000 2.413 271 K HA 0.631 4.534 4.320 -0.695 0.000 0.257 271 K C -1.963 174.650 176.600 0.022 0.000 0.946 271 K CA -0.672 55.659 56.287 0.074 0.000 0.823 271 K CB 1.597 34.245 32.500 0.246 0.000 1.109 271 K HN 0.502 nan 8.250 nan 0.000 0.427 272 V N 3.905 123.770 119.914 -0.083 0.000 2.378 272 V HA 0.314 4.017 4.120 -0.695 0.000 0.288 272 V C -0.790 175.273 176.094 -0.053 0.000 1.016 272 V CA -0.948 61.313 62.300 -0.065 0.000 0.840 272 V CB 1.113 32.840 31.823 -0.160 0.000 0.994 272 V HN 0.817 nan 8.190 nan 0.000 0.431 273 N N 6.465 125.167 118.700 0.003 0.000 2.410 273 N HA 0.613 4.936 4.740 -0.695 0.000 0.287 273 N C -3.054 172.475 175.510 0.031 0.000 1.044 273 N CA -1.429 51.628 53.050 0.012 0.000 0.881 273 N CB 3.471 41.982 38.487 0.041 0.000 1.405 273 N HN 0.359 nan 8.380 nan 0.000 0.490 274 P HA 0.464 nan 4.420 nan 0.000 0.290 274 P C -1.488 175.870 177.300 0.097 0.000 1.283 274 P CA -0.357 62.751 63.100 0.012 0.000 0.869 274 P CB 1.401 33.088 31.700 -0.022 0.000 1.100 275 F N 2.457 122.294 119.950 -0.188 0.000 2.708 275 F HA 0.283 4.409 4.527 -0.668 0.000 0.309 275 F C -2.205 173.422 175.800 -0.288 0.000 1.120 275 F CA -1.665 56.202 58.000 -0.222 0.000 0.978 275 F CB 2.293 41.179 39.000 -0.190 0.000 1.283 275 F HN 0.129 nan 8.300 nan 0.000 0.439 276 P HA 0.068 nan 4.420 nan 0.000 0.249 276 P C -0.642 176.117 177.300 -0.901 0.000 1.229 276 P CA 0.706 62.932 63.100 -1.456 0.000 0.788 276 P CB 0.299 31.407 31.700 -0.986 0.000 1.072 277 N N -0.328 117.985 118.700 -0.645 0.000 2.312 277 N HA 0.333 4.656 4.740 -0.695 0.000 0.296 277 N C -2.262 173.110 175.510 -0.229 0.000 1.193 277 N CA -2.415 50.413 53.050 -0.370 0.000 0.773 277 N CB 1.625 39.891 38.487 -0.367 0.000 1.435 277 N HN -0.384 nan 8.380 nan 0.000 0.484 278 P HA -0.078 nan 4.420 nan 0.000 0.223 278 P C -0.460 176.795 177.300 -0.074 0.000 1.144 278 P CA 1.176 64.237 63.100 -0.065 0.000 0.783 278 P CB 0.084 31.770 31.700 -0.025 0.000 0.771 279 D N -2.646 117.692 120.400 -0.103 0.000 2.501 279 D HA 0.128 4.351 4.640 -0.695 0.000 0.226 279 D C 0.372 176.573 176.300 -0.165 0.000 1.198 279 D CA 0.155 54.093 54.000 -0.103 0.000 0.830 279 D CB -0.096 40.663 40.800 -0.069 0.000 1.014 279 D HN 0.153 nan 8.370 nan 0.000 0.496 280 M N -0.276 119.200 119.600 -0.206 0.000 2.704 280 M HA 0.557 4.620 4.480 -0.695 0.000 0.284 280 M C -0.886 175.298 176.300 -0.192 0.000 1.275 280 M CA -0.749 54.401 55.300 -0.249 0.000 0.811 280 M CB 2.953 35.309 32.600 -0.407 0.000 1.741 280 M HN -0.246 nan 8.290 nan 0.000 0.458 281 M N 0.832 120.308 119.600 -0.206 0.000 2.484 281 M HA 0.417 4.480 4.480 -0.695 0.000 0.289 281 M C -1.387 174.679 176.300 -0.391 0.000 1.206 281 M CA -0.584 54.535 55.300 -0.303 0.000 0.892 281 M CB 2.924 35.274 32.600 -0.416 0.000 1.712 281 M HN 0.595 nan 8.290 nan 0.000 0.462 282 Q N 1.742 121.302 119.800 -0.400 0.000 2.331 282 Q HA 0.638 4.561 4.340 -0.695 0.000 0.267 282 Q C -2.058 173.700 176.000 -0.403 0.000 1.006 282 Q CA -0.407 55.256 55.803 -0.233 0.000 0.818 282 Q CB 1.495 30.270 28.738 0.061 0.000 1.276 282 Q HN 0.571 nan 8.270 nan 0.000 0.450 283 F N 2.894 122.943 119.950 0.164 0.000 2.460 283 F HA 0.333 4.440 4.527 -0.700 0.000 0.341 283 F C -0.392 175.450 175.800 0.069 0.000 1.130 283 F CA -0.693 57.333 58.000 0.043 0.000 0.962 283 F CB 1.531 40.621 39.000 0.151 0.000 1.171 283 F HN 0.446 nan 8.300 nan 0.000 0.436 284 E N 2.636 122.860 120.200 0.040 0.000 2.256 284 E HA 0.368 4.301 4.350 -0.695 0.000 0.268 284 E C -1.693 174.756 176.600 -0.252 0.000 0.877 284 E CA -0.897 55.551 56.400 0.081 0.000 0.757 284 E CB 2.042 31.818 29.700 0.126 0.000 1.183 284 E HN 0.492 nan 8.360 nan 0.000 0.418 285 W N 2.351 123.568 121.300 -0.139 0.000 2.512 285 W HA 0.316 4.565 4.660 -0.685 0.000 0.335 285 W C -0.908 175.503 176.519 -0.180 0.000 1.088 285 W CA -0.870 56.368 57.345 -0.177 0.000 1.236 285 W CB 1.601 31.084 29.460 0.038 0.000 1.307 285 W HN 0.619 nan 8.180 nan 0.000 0.567 286 Y N 1.086 121.732 120.300 0.576 0.000 2.863 286 Y HA 0.268 4.678 4.550 -0.234 0.000 0.348 286 Y C 0.215 176.409 175.900 0.489 0.000 1.028 286 Y CA -0.837 57.554 58.100 0.486 0.000 1.213 286 Y CB 0.025 38.621 38.460 0.226 0.000 1.120 286 Y HN -0.134 nan 8.280 nan 0.000 0.598 287 V N 4.528 124.786 119.914 0.573 0.000 2.455 287 V HA 0.214 3.917 4.120 -0.695 0.000 0.273 287 V C -2.191 174.002 176.094 0.164 0.000 1.045 287 V CA -2.091 60.401 62.300 0.321 0.000 0.976 287 V CB 0.812 32.825 31.823 0.315 0.000 0.993 287 V HN 0.390 nan 8.190 nan 0.000 0.475 288 P HA 0.272 nan 4.420 nan 0.000 0.271 288 P C 0.487 177.682 177.300 -0.176 0.000 1.226 288 P CA 0.195 63.178 63.100 -0.196 0.000 0.765 288 P CB 0.813 32.146 31.700 -0.612 0.000 0.835 289 I N 1.597 122.112 120.570 -0.093 0.000 2.899 289 I HA 0.074 3.827 4.170 -0.695 0.000 0.257 289 I C 0.618 176.677 176.117 -0.096 0.000 1.115 289 I CA 0.935 62.146 61.300 -0.149 0.000 1.451 289 I CB 0.112 37.960 38.000 -0.253 0.000 1.251 289 I HN 0.405 nan 8.210 nan 0.000 0.456 290 D N -1.069 119.305 120.400 -0.042 0.000 2.825 290 D HA 0.004 4.227 4.640 -0.695 0.000 0.327 290 D C 0.248 176.574 176.300 0.044 0.000 1.277 290 D CA -0.528 53.464 54.000 -0.012 0.000 0.950 290 D CB 0.117 40.910 40.800 -0.010 0.000 1.438 290 D HN 0.155 nan 8.370 nan 0.000 0.526 291 E N -0.626 119.606 120.200 0.054 0.000 2.338 291 E HA -0.131 3.802 4.350 -0.695 0.000 0.197 291 E C 0.263 176.924 176.600 0.103 0.000 1.007 291 E CA 0.836 57.290 56.400 0.091 0.000 0.849 291 E CB -0.404 29.339 29.700 0.072 0.000 0.774 291 E HN 0.320 nan 8.360 nan 0.000 0.506 292 N N 0.719 119.467 118.700 0.080 0.000 2.205 292 N HA 0.032 4.355 4.740 -0.695 0.000 0.201 292 N C -0.022 175.542 175.510 0.091 0.000 1.128 292 N CA 0.905 54.003 53.050 0.080 0.000 0.867 292 N CB 1.358 39.876 38.487 0.053 0.000 0.996 292 N HN 0.304 nan 8.380 nan 0.000 0.503 293 T N -1.304 113.306 114.554 0.093 0.000 2.864 293 T HA 0.455 4.389 4.350 -0.695 0.000 0.299 293 T C -0.940 173.837 174.700 0.128 0.000 1.166 293 T CA -0.782 61.354 62.100 0.060 0.000 1.007 293 T CB 2.796 71.632 68.868 -0.053 0.000 1.219 293 T HN 0.220 nan 8.240 nan 0.000 0.506 294 H N -0.373 118.723 119.070 0.043 0.000 3.008 294 H HA 0.467 4.627 4.556 -0.660 0.000 0.354 294 H C -2.065 173.327 175.328 0.107 0.000 1.252 294 H CA -0.918 55.189 56.048 0.097 0.000 1.117 294 H CB 0.702 30.634 29.762 0.284 0.000 1.857 294 H HN 0.606 nan 8.280 nan 0.000 0.547 295 Y N 1.062 121.540 120.300 0.298 0.000 2.308 295 Y HA 0.148 4.276 4.550 -0.702 0.000 0.329 295 Y C -0.243 175.979 175.900 0.536 0.000 1.111 295 Y CA -0.404 57.864 58.100 0.280 0.000 1.179 295 Y CB 0.656 39.254 38.460 0.228 0.000 1.201 295 Y HN 0.521 nan 8.280 nan 0.000 0.483 296 Y N 5.715 126.311 120.300 0.494 0.000 2.804 296 Y HA 0.282 4.445 4.550 -0.646 0.000 0.330 296 Y C -1.417 174.732 175.900 0.414 0.000 1.092 296 Y CA -2.311 56.091 58.100 0.502 0.000 1.315 296 Y CB -0.532 38.176 38.460 0.413 0.000 1.188 296 Y HN 0.515 nan 8.280 nan 0.000 0.512 297 F N 5.726 125.818 119.950 0.237 0.000 2.423 297 F HA 0.339 4.441 4.527 -0.707 0.000 0.356 297 F C -0.012 175.826 175.800 0.064 0.000 1.170 297 F CA -0.163 57.874 58.000 0.063 0.000 1.163 297 F CB 0.208 39.193 39.000 -0.026 0.000 1.318 297 F HN 0.432 nan 8.300 nan 0.000 0.569 298 Q N 3.441 123.109 119.800 -0.222 0.000 2.243 298 Q HA 0.464 4.387 4.340 -0.695 0.000 0.252 298 Q C -0.177 175.889 176.000 0.110 0.000 0.909 298 Q CA -0.624 55.129 55.803 -0.083 0.000 0.922 298 Q CB 1.693 30.303 28.738 -0.214 0.000 1.215 298 Q HN 0.646 nan 8.270 nan 0.000 0.427 299 T N -0.414 114.328 114.554 0.314 0.000 2.909 299 T HA 0.707 4.640 4.350 -0.695 0.000 0.299 299 T C -0.819 174.116 174.700 0.392 0.000 1.073 299 T CA -0.851 61.498 62.100 0.416 0.000 0.999 299 T CB 0.888 70.191 68.868 0.725 0.000 1.098 299 T HN 0.413 nan 8.240 nan 0.000 0.477 300 L N 1.779 123.188 121.223 0.310 0.000 2.385 300 L HA 0.758 4.681 4.340 -0.695 0.000 0.273 300 L C 0.470 177.509 176.870 0.281 0.000 0.990 300 L CA -1.008 53.977 54.840 0.241 0.000 0.821 300 L CB 2.160 44.361 42.059 0.236 0.000 1.279 300 L HN 1.049 nan 8.230 nan 0.000 0.412 301 G N 2.013 110.946 108.800 0.222 0.000 2.416 301 G HA2 0.635 4.178 3.960 -0.695 0.000 0.329 301 G HA3 0.635 4.178 3.960 -0.695 0.000 0.329 301 G C -1.356 173.504 174.900 -0.065 0.000 1.173 301 G CA -0.376 44.845 45.100 0.201 0.000 0.929 301 G HN 0.524 nan 8.290 nan 0.000 0.475 302 K N 2.744 122.992 120.400 -0.253 0.000 2.588 302 K HA 0.406 4.309 4.320 -0.695 0.000 0.250 302 K C -2.956 173.438 176.600 -0.344 0.000 0.972 302 K CA -1.445 54.568 56.287 -0.456 0.000 0.821 302 K CB 2.880 34.762 32.500 -1.029 0.000 1.249 302 K HN 0.207 nan 8.250 nan 0.000 0.442 303 P HA 0.010 nan 4.420 nan 0.000 0.265 303 P C -1.073 176.143 177.300 -0.140 0.000 1.187 303 P CA -0.267 62.754 63.100 -0.132 0.000 0.766 303 P CB 0.463 32.110 31.700 -0.089 0.000 0.820 304 C N 2.917 122.163 119.300 -0.090 0.000 2.599 304 C HA 0.475 4.518 4.460 -0.695 0.000 0.354 304 C C 1.307 176.278 174.990 -0.032 0.000 1.092 304 C CA -0.185 58.801 59.018 -0.054 0.000 1.280 304 C CB 0.874 28.598 27.740 -0.027 0.000 1.829 304 C HN 0.642 nan 8.230 nan 0.000 0.454 305 A N 3.050 125.856 122.820 -0.023 0.000 2.123 305 A HA 0.196 4.099 4.320 -0.695 0.000 0.214 305 A C 0.617 178.195 177.584 -0.010 0.000 1.152 305 A CA 1.017 53.043 52.037 -0.018 0.000 0.728 305 A CB -0.198 18.792 19.000 -0.016 0.000 0.814 305 A HN 1.022 nan 8.150 nan 0.000 0.464 306 N N -2.746 115.953 118.700 -0.002 0.000 2.825 306 N HA 0.227 4.550 4.740 -0.695 0.000 0.253 306 N C -0.599 174.918 175.510 0.012 0.000 1.426 306 N CA -0.296 52.755 53.050 0.003 0.000 0.851 306 N CB 0.383 38.871 38.487 0.003 0.000 1.470 306 N HN -0.180 nan 8.380 nan 0.000 0.517 307 D N 0.267 120.674 120.400 0.012 0.000 2.116 307 D HA -0.190 4.033 4.640 -0.695 0.000 0.193 307 D C 0.858 177.174 176.300 0.027 0.000 0.998 307 D CA 1.617 55.628 54.000 0.018 0.000 0.836 307 D CB -0.073 40.734 40.800 0.011 0.000 0.951 307 D HN 0.722 nan 8.370 nan 0.000 0.449 308 E N 0.783 120.997 120.200 0.022 0.000 2.130 308 E HA -0.207 3.726 4.350 -0.695 0.000 0.196 308 E C 1.982 178.607 176.600 0.042 0.000 0.998 308 E CA 0.872 57.288 56.400 0.027 0.000 0.806 308 E CB -0.129 29.583 29.700 0.019 0.000 0.738 308 E HN 0.485 nan 8.360 nan 0.000 0.459 309 E N 0.420 120.646 120.200 0.043 0.000 2.112 309 E HA -0.062 3.871 4.350 -0.695 0.000 0.190 309 E C 2.173 178.838 176.600 0.107 0.000 0.979 309 E CA 0.222 56.659 56.400 0.062 0.000 0.814 309 E CB 0.050 29.770 29.700 0.033 0.000 0.762 309 E HN 0.183 nan 8.360 nan 0.000 0.460 310 R N 1.065 121.620 120.500 0.091 0.000 2.096 310 R HA -0.114 3.809 4.340 -0.695 0.000 0.235 310 R C 2.222 178.598 176.300 0.126 0.000 1.127 310 R CA 1.147 57.325 56.100 0.129 0.000 0.968 310 R CB -0.118 30.225 30.300 0.072 0.000 0.861 310 R HN 0.053 nan 8.270 nan 0.000 0.440 311 K N 0.426 120.874 120.400 0.080 0.000 2.062 311 K HA -0.080 3.823 4.320 -0.695 0.000 0.205 311 K C 2.146 178.792 176.600 0.077 0.000 1.051 311 K CA 0.643 56.964 56.287 0.057 0.000 0.941 311 K CB -0.047 32.475 32.500 0.035 0.000 0.719 311 K HN -0.099 nan 8.250 nan 0.000 0.440 312 K N 0.944 121.403 120.400 0.098 0.000 2.032 312 K HA -0.192 3.711 4.320 -0.695 0.000 0.209 312 K C 2.160 178.873 176.600 0.187 0.000 1.048 312 K CA 1.527 57.880 56.287 0.111 0.000 0.927 312 K CB -0.447 32.116 32.500 0.104 0.000 0.712 312 K HN 0.150 nan 8.250 nan 0.000 0.441 313 Y N 2.336 122.690 120.300 0.090 0.000 2.181 313 Y HA -0.164 3.967 4.550 -0.698 0.000 0.288 313 Y C 2.188 178.195 175.900 0.178 0.000 1.146 313 Y CA 1.982 60.174 58.100 0.153 0.000 1.164 313 Y CB -0.470 38.053 38.460 0.106 0.000 0.982 313 Y HN 0.209 nan 8.280 nan 0.000 0.515 314 E N 0.458 120.664 120.200 0.009 0.000 2.209 314 E HA -0.247 3.686 4.350 -0.695 0.000 0.196 314 E C 1.785 178.390 176.600 0.008 0.000 0.993 314 E CA 1.750 58.102 56.400 -0.079 0.000 0.819 314 E CB -0.087 29.595 29.700 -0.032 0.000 0.745 314 E HN 0.743 nan 8.360 nan 0.000 0.477 315 Q N -0.276 119.541 119.800 0.028 0.000 2.123 315 Q HA -0.048 3.875 4.340 -0.695 0.000 0.196 315 Q C 2.135 178.118 176.000 -0.029 0.000 0.958 315 Q CA 0.929 56.734 55.803 0.003 0.000 0.841 315 Q CB 0.044 28.782 28.738 0.001 0.000 0.915 315 Q HN 0.368 nan 8.270 nan 0.000 0.455 316 E N 0.402 120.602 120.200 -0.001 0.000 2.110 316 E HA -0.186 3.747 4.350 -0.695 0.000 0.193 316 E C 1.679 178.154 176.600 -0.208 0.000 0.988 316 E CA 0.804 57.117 56.400 -0.144 0.000 0.804 316 E CB -0.143 29.558 29.700 0.002 0.000 0.745 316 E HN 0.211 nan 8.360 nan 0.000 0.458 317 F N 2.591 122.483 119.950 -0.096 0.000 2.051 317 F HA -0.189 3.917 4.527 -0.700 0.000 0.296 317 F C 2.202 177.957 175.800 -0.075 0.000 1.122 317 F CA 1.510 59.503 58.000 -0.013 0.000 1.201 317 F CB -0.001 38.856 39.000 -0.238 0.000 0.978 317 F HN -0.158 nan 8.300 nan 0.000 0.472 318 E N 0.141 120.275 120.200 -0.111 0.000 2.110 318 E HA -0.167 3.766 4.350 -0.695 0.000 0.193 318 E C 2.403 178.873 176.600 -0.216 0.000 0.988 318 E CA 1.579 57.860 56.400 -0.199 0.000 0.804 318 E CB -0.726 28.936 29.700 -0.062 0.000 0.745 318 E HN 0.557 nan 8.360 nan 0.000 0.458 319 S N -0.569 115.013 115.700 -0.196 0.000 2.458 319 S HA 0.079 4.132 4.470 -0.695 0.000 0.223 319 S C 1.821 176.268 174.600 -0.254 0.000 1.019 319 S CA 0.705 58.788 58.200 -0.195 0.000 0.937 319 S CB 0.559 63.661 63.200 -0.163 0.000 0.788 319 S HN 0.097 nan 8.310 nan 0.000 0.511 320 K N -0.122 120.054 120.400 -0.373 0.000 2.537 320 K HA 0.231 4.135 4.320 -0.695 0.000 0.216 320 K C 1.536 177.957 176.600 -0.299 0.000 1.349 320 K CA 0.030 56.049 56.287 -0.448 0.000 0.841 320 K CB -0.542 31.479 32.500 -0.798 0.000 1.659 320 K HN 0.331 nan 8.250 nan 0.000 0.435 321 W N 2.567 123.801 121.300 -0.109 0.000 2.289 321 W HA -0.274 3.971 4.660 -0.693 0.000 0.331 321 W C 2.351 178.735 176.519 -0.225 0.000 1.283 321 W CA 1.462 58.749 57.345 -0.097 0.000 1.252 321 W CB -0.284 29.224 29.460 0.080 0.000 1.153 321 W HN 0.256 nan 8.180 nan 0.000 0.467 322 K N 0.108 120.293 120.400 -0.358 0.000 2.001 322 K HA -0.215 3.688 4.320 -0.695 0.000 0.214 322 K C -0.604 175.893 176.600 -0.172 0.000 1.050 322 K CA 2.261 58.256 56.287 -0.486 0.000 0.934 322 K CB -1.439 30.488 32.500 -0.955 0.000 0.718 322 K HN -0.019 nan 8.250 nan 0.000 0.443 323 P HA -0.138 nan 4.420 nan 0.000 0.215 323 P C 1.477 178.781 177.300 0.006 0.000 1.157 323 P CA 1.424 64.482 63.100 -0.070 0.000 0.863 323 P CB -0.024 31.617 31.700 -0.098 0.000 0.787 324 M N -1.861 117.746 119.600 0.012 0.000 2.287 324 M HA 0.037 4.101 4.480 -0.695 0.000 0.266 324 M C 1.633 178.029 176.300 0.160 0.000 1.079 324 M CA 1.513 56.856 55.300 0.073 0.000 1.146 324 M CB -0.072 32.547 32.600 0.032 0.000 1.374 324 M HN -0.126 nan 8.290 nan 0.000 0.435 325 A N 0.275 123.206 122.820 0.186 0.000 1.982 325 A HA 0.131 4.034 4.320 -0.695 0.000 0.217 325 A C 1.749 179.505 177.584 0.287 0.000 1.457 325 A CA 0.095 52.270 52.037 0.231 0.000 0.654 325 A CB -0.893 18.217 19.000 0.183 0.000 1.150 325 A HN 0.415 nan 8.150 nan 0.000 0.509 326 L N -0.096 121.262 121.223 0.225 0.000 2.089 326 L HA -0.278 3.645 4.340 -0.695 0.000 0.213 326 L C 2.436 179.448 176.870 0.237 0.000 1.079 326 L CA 2.072 57.047 54.840 0.223 0.000 0.758 326 L CB -0.626 41.516 42.059 0.139 0.000 0.891 326 L HN 0.575 nan 8.230 nan 0.000 0.433 327 E N -0.892 119.419 120.200 0.184 0.000 2.134 327 E HA 0.019 3.952 4.350 -0.695 0.000 0.194 327 E C 2.236 178.962 176.600 0.209 0.000 0.937 327 E CA 0.623 57.133 56.400 0.183 0.000 0.874 327 E CB -0.386 29.381 29.700 0.110 0.000 0.853 327 E HN 0.378 nan 8.360 nan 0.000 0.471 328 G N 1.037 109.950 108.800 0.189 0.000 2.469 328 G HA2 -0.277 3.266 3.960 -0.695 0.000 0.220 328 G HA3 -0.277 3.266 3.960 -0.695 0.000 0.220 328 G C 1.283 176.349 174.900 0.277 0.000 1.136 328 G CA 0.785 46.006 45.100 0.202 0.000 0.759 328 G HN 0.144 nan 8.290 nan 0.000 0.562 329 F N 0.981 121.020 119.950 0.149 0.000 2.243 329 F HA 0.220 4.324 4.527 -0.706 0.000 0.287 329 F C 2.346 178.229 175.800 0.137 0.000 1.067 329 F CA 1.015 59.084 58.000 0.115 0.000 1.304 329 F CB -0.117 38.946 39.000 0.106 0.000 1.087 329 F HN 0.119 nan 8.300 nan 0.000 0.513 330 N N 0.154 119.063 118.700 0.349 0.000 2.459 330 N HA -0.140 4.183 4.740 -0.695 0.000 0.181 330 N C 1.208 176.887 175.510 0.281 0.000 1.046 330 N CA 0.520 53.773 53.050 0.339 0.000 0.904 330 N CB -0.132 38.677 38.487 0.536 0.000 0.964 330 N HN 0.192 nan 8.380 nan 0.000 0.444 331 N N 1.382 120.238 118.700 0.260 0.000 2.137 331 N HA -0.153 4.170 4.740 -0.695 0.000 0.190 331 N C 0.787 176.401 175.510 0.173 0.000 1.017 331 N CA 1.067 54.261 53.050 0.241 0.000 0.859 331 N CB -0.233 38.401 38.487 0.246 0.000 1.002 331 N HN 0.289 nan 8.380 nan 0.000 0.428 332 D N 0.786 121.250 120.400 0.106 0.000 2.264 332 D HA -0.091 4.132 4.640 -0.695 0.000 0.208 332 D C 0.975 176.835 176.300 -0.734 0.000 0.966 332 D CA 0.642 54.488 54.000 -0.256 0.000 0.864 332 D CB -0.095 40.608 40.800 -0.162 0.000 0.933 332 D HN 0.283 nan 8.370 nan 0.000 0.499 333 D N 0.388 120.626 120.400 -0.269 0.000 2.183 333 D HA -0.045 4.178 4.640 -0.695 0.000 0.203 333 D C 2.331 178.448 176.300 -0.305 0.000 0.969 333 D CA 0.194 54.031 54.000 -0.271 0.000 0.842 333 D CB 0.168 40.938 40.800 -0.050 0.000 0.957 333 D HN 0.298 nan 8.370 nan 0.000 0.484 334 I N 1.463 121.927 120.570 -0.177 0.000 2.099 334 I HA -0.235 3.518 4.170 -0.695 0.000 0.239 334 I C 2.702 178.817 176.117 -0.004 0.000 1.066 334 I CA 1.095 62.367 61.300 -0.045 0.000 1.324 334 I CB -0.514 37.554 38.000 0.113 0.000 1.037 334 I HN 0.232 nan 8.210 nan 0.000 0.401 335 W N 1.557 122.866 121.300 0.016 0.000 2.595 335 W HA 0.134 4.406 4.660 -0.648 0.000 0.257 335 W C 2.195 178.708 176.519 -0.009 0.000 1.267 335 W CA 0.643 57.992 57.345 0.006 0.000 1.300 335 W CB -1.026 28.437 29.460 0.005 0.000 1.120 335 W HN 0.071 nan 8.180 nan 0.000 0.618 336 A N 2.209 124.736 122.820 -0.488 0.000 1.873 336 A HA -0.143 3.760 4.320 -0.695 0.000 0.215 336 A C 2.252 179.735 177.584 -0.168 0.000 1.186 336 A CA 1.664 53.442 52.037 -0.432 0.000 0.616 336 A CB -0.757 17.878 19.000 -0.607 0.000 0.823 336 A HN 0.275 nan 8.150 nan 0.000 0.442 337 R N -0.082 120.323 120.500 -0.159 0.000 2.073 337 R HA -0.135 3.788 4.340 -0.695 0.000 0.234 337 R C 2.095 178.393 176.300 -0.003 0.000 1.134 337 R CA 1.622 57.664 56.100 -0.096 0.000 0.952 337 R CB -0.438 29.821 30.300 -0.069 0.000 0.850 337 R HN 0.669 nan 8.270 nan 0.000 0.433 338 E N 0.702 120.933 120.200 0.052 0.000 2.118 338 E HA -0.200 3.733 4.350 -0.695 0.000 0.195 338 E C 1.975 178.632 176.600 0.095 0.000 0.992 338 E CA 1.185 57.640 56.400 0.092 0.000 0.804 338 E CB -0.154 29.625 29.700 0.131 0.000 0.741 338 E HN 0.393 nan 8.360 nan 0.000 0.458 339 A N 0.698 123.582 122.820 0.107 0.000 2.067 339 A HA -0.097 3.806 4.320 -0.695 0.000 0.219 339 A C 2.003 179.632 177.584 0.075 0.000 1.158 339 A CA 1.014 53.114 52.037 0.105 0.000 0.661 339 A CB -0.263 18.823 19.000 0.143 0.000 0.801 339 A HN 0.153 nan 8.150 nan 0.000 0.452 340 M N -0.985 118.657 119.600 0.070 0.000 2.502 340 M HA 0.011 4.074 4.480 -0.695 0.000 0.243 340 M C 1.671 178.084 176.300 0.189 0.000 1.130 340 M CA 0.141 55.522 55.300 0.134 0.000 1.055 340 M CB 0.123 32.784 32.600 0.102 0.000 1.457 340 M HN 0.226 nan 8.290 nan 0.000 0.488 341 V N 1.009 120.992 119.914 0.116 0.000 2.252 341 V HA -0.331 3.372 4.120 -0.695 0.000 0.249 341 V C 1.759 177.922 176.094 0.115 0.000 1.056 341 V CA 2.144 64.509 62.300 0.108 0.000 1.022 341 V CB -0.617 31.254 31.823 0.081 0.000 0.641 341 V HN 0.435 nan 8.190 nan 0.000 0.445 342 D N -0.723 119.737 120.400 0.100 0.000 2.123 342 D HA -0.187 4.036 4.640 -0.695 0.000 0.196 342 D C 1.884 178.237 176.300 0.088 0.000 0.992 342 D CA 1.294 55.343 54.000 0.082 0.000 0.833 342 D CB -0.387 40.455 40.800 0.069 0.000 0.954 342 D HN 0.448 nan 8.370 nan 0.000 0.455 343 F N 0.079 119.964 119.950 -0.108 0.000 2.171 343 F HA -0.181 3.924 4.527 -0.703 0.000 0.300 343 F C 1.593 177.127 175.800 -0.444 0.000 1.090 343 F CA 1.148 58.979 58.000 -0.282 0.000 1.293 343 F CB -0.261 38.513 39.000 -0.377 0.000 1.013 343 F HN -0.036 nan 8.300 nan 0.000 0.486 344 Y N -1.069 119.112 120.300 -0.199 0.000 2.449 344 Y HA 0.366 4.513 4.550 -0.672 0.000 0.254 344 Y C 2.192 178.000 175.900 -0.152 0.000 1.140 344 Y CA 0.338 58.212 58.100 -0.377 0.000 1.272 344 Y CB -0.771 37.387 38.460 -0.504 0.000 1.114 344 Y HN 0.055 nan 8.280 nan 0.000 0.525 345 A N 0.695 123.541 122.820 0.043 0.000 1.948 345 A HA -0.232 3.671 4.320 -0.695 0.000 0.220 345 A C 1.535 179.147 177.584 0.046 0.000 1.177 345 A CA 2.216 54.288 52.037 0.058 0.000 0.636 345 A CB -0.603 18.425 19.000 0.046 0.000 0.815 345 A HN 0.493 nan 8.150 nan 0.000 0.449 346 D N -2.512 117.888 120.400 -0.001 0.000 2.342 346 D HA 0.129 4.352 4.640 -0.695 0.000 0.221 346 D C -0.102 176.213 176.300 0.026 0.000 1.101 346 D CA 0.514 54.516 54.000 0.004 0.000 0.837 346 D CB -0.150 40.634 40.800 -0.027 0.000 0.938 346 D HN 0.337 nan 8.370 nan 0.000 0.508 347 D N 0.114 120.563 120.400 0.081 0.000 2.837 347 D HA -0.202 4.021 4.640 -0.695 0.000 0.195 347 D C 1.072 177.450 176.300 0.129 0.000 1.033 347 D CA 1.170 55.315 54.000 0.242 0.000 1.021 347 D CB -0.902 40.017 40.800 0.198 0.000 1.101 347 D HN 0.420 nan 8.370 nan 0.000 0.431 348 K N 0.181 120.518 120.400 -0.105 0.000 2.366 348 K HA 0.098 4.001 4.320 -0.695 0.000 0.198 348 K C 2.174 178.475 176.600 -0.498 0.000 1.044 348 K CA 0.914 57.080 56.287 -0.201 0.000 0.973 348 K CB -0.056 32.332 32.500 -0.187 0.000 0.767 348 K HN 0.251 nan 8.250 nan 0.000 0.475 349 G N 0.578 108.799 108.800 -0.964 0.000 2.448 349 G HA2 -0.210 3.333 3.960 -0.695 0.000 0.219 349 G HA3 -0.210 3.333 3.960 -0.695 0.000 0.219 349 G C 0.806 175.165 174.900 -0.902 0.000 1.127 349 G CA 0.140 44.106 45.100 -1.890 0.000 0.766 349 G HN 0.368 nan 8.290 nan 0.000 0.552 350 W N -0.332 120.899 121.300 -0.115 0.000 2.721 350 W HA 0.197 4.428 4.660 -0.716 0.000 0.245 350 W C 1.980 178.584 176.519 0.141 0.000 1.276 350 W CA -0.162 57.314 57.345 0.219 0.000 1.342 350 W CB 0.165 29.774 29.460 0.249 0.000 1.135 350 W HN 0.032 nan 8.180 nan 0.000 0.654 351 V N -0.626 119.374 119.914 0.144 0.000 3.151 351 V HA -0.040 3.663 4.120 -0.695 0.000 0.241 351 V C 1.623 177.753 176.094 0.060 0.000 1.173 351 V CA 0.885 63.249 62.300 0.106 0.000 1.154 351 V CB -0.209 31.643 31.823 0.048 0.000 0.898 351 V HN 0.037 nan 8.190 nan 0.000 0.473 352 N N 1.081 119.753 118.700 -0.046 0.000 2.422 352 N HA -0.008 4.315 4.740 -0.695 0.000 0.181 352 N C 0.750 176.390 175.510 0.218 0.000 1.080 352 N CA 0.076 53.155 53.050 0.048 0.000 0.893 352 N CB 0.044 38.538 38.487 0.011 0.000 0.973 352 N HN 0.756 nan 8.380 nan 0.000 0.456 353 E N 1.074 121.409 120.200 0.225 0.000 2.452 353 E HA 0.031 3.964 4.350 -0.695 0.000 0.261 353 E C -0.333 176.398 176.600 0.217 0.000 0.987 353 E CA 0.364 56.962 56.400 0.330 0.000 0.926 353 E CB 0.691 30.596 29.700 0.341 0.000 0.934 353 E HN 0.130 nan 8.360 nan 0.000 0.452 354 I N 4.353 125.014 120.570 0.152 0.000 2.388 354 I HA 0.169 3.922 4.170 -0.695 0.000 0.281 354 I C -0.155 176.041 176.117 0.132 0.000 1.046 354 I CA -0.622 60.747 61.300 0.115 0.000 1.187 354 I CB 0.413 38.443 38.000 0.050 0.000 1.351 354 I HN 0.407 nan 8.210 nan 0.000 0.472 355 L N 5.877 127.213 121.223 0.189 0.000 2.439 355 L HA 0.491 4.414 4.340 -0.695 0.000 0.261 355 L C -0.144 176.914 176.870 0.314 0.000 1.153 355 L CA -0.517 54.475 54.840 0.252 0.000 0.808 355 L CB 0.571 42.758 42.059 0.213 0.000 1.126 355 L HN 0.423 nan 8.230 nan 0.000 0.460 356 F N -1.341 118.624 119.950 0.024 0.000 2.679 356 F HA 0.530 4.635 4.527 -0.703 0.000 0.341 356 F C 0.985 176.791 175.800 0.010 0.000 1.095 356 F CA -1.512 56.496 58.000 0.012 0.000 1.004 356 F CB 0.390 39.386 39.000 -0.006 0.000 1.388 356 F HN 0.358 nan 8.300 nan 0.000 0.505 357 E N 0.598 120.713 120.200 -0.142 0.000 2.108 357 E HA -0.210 3.724 4.350 -0.695 0.000 0.203 357 E C 2.064 178.408 176.600 -0.427 0.000 1.022 357 E CA 3.060 59.312 56.400 -0.247 0.000 0.823 357 E CB -0.537 29.081 29.700 -0.138 0.000 0.744 357 E HN 0.669 nan 8.360 nan 0.000 0.456 358 S N 0.317 115.510 115.700 -0.844 0.000 2.547 358 S HA -0.110 3.943 4.470 -0.695 0.000 0.235 358 S C 0.958 175.287 174.600 -0.453 0.000 0.980 358 S CA 0.930 58.753 58.200 -0.628 0.000 0.941 358 S CB -0.010 62.774 63.200 -0.694 0.000 0.763 358 S HN 0.113 nan 8.310 nan 0.000 0.532 359 D N 1.256 121.411 120.400 -0.408 0.000 2.340 359 D HA 0.065 4.288 4.640 -0.695 0.000 0.220 359 D C 1.683 177.914 176.300 -0.116 0.000 1.039 359 D CA 0.393 54.287 54.000 -0.176 0.000 0.866 359 D CB -0.107 40.672 40.800 -0.035 0.000 0.913 359 D HN 0.492 nan 8.370 nan 0.000 0.523 360 E N 1.919 122.041 120.200 -0.129 0.000 2.097 360 E HA -0.198 3.735 4.350 -0.695 0.000 0.196 360 E C 1.897 178.474 176.600 -0.038 0.000 1.000 360 E CA 1.651 58.011 56.400 -0.066 0.000 0.804 360 E CB -0.257 29.403 29.700 -0.067 0.000 0.740 360 E HN 0.163 nan 8.360 nan 0.000 0.454 361 A N 0.338 123.118 122.820 -0.066 0.000 1.930 361 A HA -0.103 3.800 4.320 -0.695 0.000 0.217 361 A C 2.428 180.140 177.584 0.212 0.000 1.175 361 A CA 1.433 53.492 52.037 0.037 0.000 0.627 361 A CB -0.645 18.235 19.000 -0.201 0.000 0.815 361 A HN 0.372 nan 8.150 nan 0.000 0.443 362 I N -0.469 120.150 120.570 0.082 0.000 2.286 362 I HA -0.209 3.544 4.170 -0.695 0.000 0.248 362 I C 2.304 178.424 176.117 0.004 0.000 1.115 362 I CA 1.018 62.411 61.300 0.155 0.000 1.392 362 I CB -0.271 37.752 38.000 0.038 0.000 1.065 362 I HN 0.151 nan 8.210 nan 0.000 0.418 363 V N 1.056 120.903 119.914 -0.112 0.000 2.343 363 V HA -0.298 3.405 4.120 -0.695 0.000 0.247 363 V C 2.713 178.699 176.094 -0.179 0.000 1.051 363 V CA 1.979 64.109 62.300 -0.283 0.000 1.036 363 V CB -0.913 30.836 31.823 -0.123 0.000 0.654 363 V HN 0.497 nan 8.190 nan 0.000 0.451 364 A N 0.088 122.892 122.820 -0.027 0.000 1.902 364 A HA -0.271 3.632 4.320 -0.695 0.000 0.217 364 A C 2.169 179.732 177.584 -0.036 0.000 1.181 364 A CA 1.874 53.914 52.037 0.004 0.000 0.623 364 A CB -0.822 18.215 19.000 0.061 0.000 0.818 364 A HN 0.822 nan 8.150 nan 0.000 0.443 365 W N 1.036 122.222 121.300 -0.190 0.000 2.358 365 W HA -0.187 4.105 4.660 -0.612 0.000 0.303 365 W C 1.982 178.264 176.519 -0.395 0.000 1.208 365 W CA 1.577 58.741 57.345 -0.302 0.000 1.274 365 W CB -0.380 28.871 29.460 -0.349 0.000 1.138 365 W HN 0.313 nan 8.180 nan 0.000 0.515 366 R N 0.591 120.525 120.500 -0.945 0.000 2.105 366 R HA -0.153 3.770 4.340 -0.695 0.000 0.239 366 R C 2.395 178.297 176.300 -0.663 0.000 1.135 366 R CA 2.021 57.319 56.100 -1.337 0.000 0.967 366 R CB -0.356 29.111 30.300 -1.388 0.000 0.861 366 R HN 0.197 nan 8.270 nan 0.000 0.442 367 K N 0.533 120.740 120.400 -0.322 0.000 2.062 367 K HA -0.105 3.798 4.320 -0.695 0.000 0.205 367 K C 2.159 178.673 176.600 -0.144 0.000 1.051 367 K CA 0.918 57.154 56.287 -0.085 0.000 0.941 367 K CB -0.215 32.302 32.500 0.029 0.000 0.719 367 K HN 0.074 nan 8.250 nan 0.000 0.440 368 L N 1.082 122.197 121.223 -0.181 0.000 2.046 368 L HA -0.159 3.764 4.340 -0.695 0.000 0.208 368 L C 2.299 179.071 176.870 -0.163 0.000 1.077 368 L CA 1.707 56.510 54.840 -0.063 0.000 0.747 368 L CB -0.359 41.659 42.059 -0.069 0.000 0.896 368 L HN 0.112 nan 8.230 nan 0.000 0.432 369 A N -1.267 121.240 122.820 -0.522 0.000 1.930 369 A HA -0.159 3.744 4.320 -0.695 0.000 0.217 369 A C 2.381 179.778 177.584 -0.310 0.000 1.175 369 A CA 1.861 53.571 52.037 -0.544 0.000 0.627 369 A CB -0.866 17.578 19.000 -0.925 0.000 0.815 369 A HN 0.532 nan 8.150 nan 0.000 0.443 370 S N -0.294 115.294 115.700 -0.186 0.000 2.383 370 S HA -0.146 3.908 4.470 -0.695 0.000 0.227 370 S C 1.830 176.351 174.600 -0.132 0.000 1.026 370 S CA 1.594 59.765 58.200 -0.048 0.000 0.981 370 S CB -0.229 62.992 63.200 0.035 0.000 0.818 370 S HN 0.731 nan 8.310 nan 0.000 0.472 371 E N -0.154 119.924 120.200 -0.203 0.000 2.122 371 E HA -0.013 3.920 4.350 -0.695 0.000 0.190 371 E C 1.174 177.463 176.600 -0.519 0.000 0.977 371 E CA 0.720 56.906 56.400 -0.357 0.000 0.820 371 E CB 0.012 29.441 29.700 -0.451 0.000 0.770 371 E HN 0.565 nan 8.360 nan 0.000 0.462 372 H N 0.402 119.391 119.070 -0.135 0.000 2.652 372 H HA 0.098 4.235 4.556 -0.697 0.000 0.274 372 H C 0.082 175.327 175.328 -0.139 0.000 1.021 372 H CA -0.135 55.850 56.048 -0.105 0.000 1.187 372 H CB -0.107 29.620 29.762 -0.059 0.000 1.505 372 H HN 0.190 nan 8.280 nan 0.000 0.530 373 N N 0.997 119.540 118.700 -0.262 0.000 2.415 373 N HA -0.080 4.243 4.740 -0.695 0.000 0.248 373 N C 0.684 176.145 175.510 -0.081 0.000 1.271 373 N CA 0.006 52.810 53.050 -0.411 0.000 0.913 373 N CB 0.828 38.423 38.487 -1.486 0.000 1.129 373 N HN -0.141 nan 8.380 nan 0.000 0.444 374 Q N -0.158 119.706 119.800 0.107 0.000 2.246 374 Q HA 0.286 4.210 4.340 -0.695 0.000 0.202 374 Q C -0.086 175.911 176.000 -0.005 0.000 0.883 374 Q CA 0.161 55.927 55.803 -0.063 0.000 0.952 374 Q CB 0.182 28.715 28.738 -0.343 0.000 1.078 374 Q HN 0.851 nan 8.270 nan 0.000 0.493 375 G N 0.467 109.312 108.800 0.074 0.000 2.318 375 G HA2 0.098 3.641 3.960 -0.695 0.000 0.302 375 G HA3 0.098 3.641 3.960 -0.695 0.000 0.302 375 G C -1.369 173.667 174.900 0.227 0.000 1.633 375 G CA -0.953 44.212 45.100 0.107 0.000 0.965 375 G HN 0.004 nan 8.290 nan 0.000 0.698 376 I N 1.555 122.241 120.570 0.193 0.000 2.315 376 I HA 0.326 4.079 4.170 -0.695 0.000 0.291 376 I C 0.636 176.797 176.117 0.072 0.000 1.006 376 I CA -0.703 60.721 61.300 0.207 0.000 1.265 376 I CB 1.215 39.325 38.000 0.184 0.000 1.387 376 I HN 0.683 nan 8.210 nan 0.000 0.475 377 Q N 5.467 125.258 119.800 -0.017 0.000 2.332 377 Q HA 0.317 4.240 4.340 -0.695 0.000 0.263 377 Q C -0.167 175.869 176.000 0.059 0.000 0.979 377 Q CA 0.051 55.773 55.803 -0.136 0.000 0.885 377 Q CB 0.844 29.480 28.738 -0.170 0.000 1.218 377 Q HN 0.821 nan 8.270 nan 0.000 0.405 378 T N 0.434 115.154 114.554 0.277 0.000 2.916 378 T HA 0.253 4.186 4.350 -0.695 0.000 0.292 378 T C 0.522 175.325 174.700 0.172 0.000 1.055 378 T CA -0.805 61.429 62.100 0.223 0.000 1.009 378 T CB 1.475 70.475 68.868 0.220 0.000 1.118 378 T HN 0.559 nan 8.240 nan 0.000 0.497 379 Q N 1.036 120.890 119.800 0.089 0.000 2.234 379 Q HA 0.035 3.958 4.340 -0.695 0.000 0.206 379 Q C 2.173 178.201 176.000 0.047 0.000 0.980 379 Q CA 2.196 58.034 55.803 0.058 0.000 0.869 379 Q CB -0.972 27.788 28.738 0.036 0.000 0.912 379 Q HN 0.908 nan 8.270 nan 0.000 0.436 380 A N -1.134 121.702 122.820 0.026 0.000 2.015 380 A HA -0.161 3.742 4.320 -0.695 0.000 0.219 380 A C 1.574 179.128 177.584 -0.050 0.000 1.163 380 A CA 1.443 53.458 52.037 -0.037 0.000 0.646 380 A CB -0.698 18.248 19.000 -0.089 0.000 0.806 380 A HN 0.588 nan 8.150 nan 0.000 0.448 381 H N -1.135 117.944 119.070 0.015 0.000 2.423 381 H HA -0.048 4.092 4.556 -0.693 0.000 0.297 381 H C 2.027 177.369 175.328 0.022 0.000 1.075 381 H CA 1.652 57.714 56.048 0.024 0.000 1.342 381 H CB 0.077 29.854 29.762 0.025 0.000 1.395 381 H HN 0.279 nan 8.280 nan 0.000 0.530 382 V N 0.049 120.042 119.914 0.131 0.000 2.323 382 V HA -0.220 3.483 4.120 -0.695 0.000 0.244 382 V C 2.382 178.502 176.094 0.043 0.000 1.041 382 V CA 1.916 64.260 62.300 0.075 0.000 1.025 382 V CB -0.444 31.409 31.823 0.049 0.000 0.656 382 V HN 0.584 nan 8.190 nan 0.000 0.451 383 S N -0.435 115.279 115.700 0.023 0.000 2.406 383 S HA 0.353 4.406 4.470 -0.695 0.000 0.224 383 S C 1.066 175.659 174.600 -0.012 0.000 1.030 383 S CA 0.625 58.827 58.200 0.003 0.000 0.958 383 S CB 0.453 63.649 63.200 -0.007 0.000 0.811 383 S HN 1.210 nan 8.310 nan 0.000 0.489 384 G N 0.870 109.657 108.800 -0.023 0.000 2.196 384 G HA2 0.225 3.768 3.960 -0.695 0.000 0.215 384 G HA3 0.225 3.768 3.960 -0.695 0.000 0.215 384 G C -0.881 173.968 174.900 -0.086 0.000 1.640 384 G CA -1.081 43.993 45.100 -0.043 0.000 0.946 384 G HN 0.337 nan 8.290 nan 0.000 0.710 385 L N 1.296 122.459 121.223 -0.100 0.000 2.573 385 L HA 0.137 4.060 4.340 -0.695 0.000 0.290 385 L C 0.756 177.514 176.870 -0.186 0.000 1.247 385 L CA 0.737 55.495 54.840 -0.137 0.000 0.876 385 L CB 0.294 42.304 42.059 -0.081 0.000 1.123 385 L HN 0.597 nan 8.230 nan 0.000 0.505 386 E N 2.100 122.191 120.200 -0.181 0.000 2.222 386 E HA 0.604 4.537 4.350 -0.695 0.000 0.267 386 E C -1.376 175.096 176.600 -0.214 0.000 0.884 386 E CA -0.837 55.394 56.400 -0.282 0.000 0.764 386 E CB 2.056 31.643 29.700 -0.188 0.000 1.169 386 E HN 0.644 nan 8.360 nan 0.000 0.413 387 H N -0.540 118.404 119.070 -0.210 0.000 3.114 387 H HA 0.361 4.500 4.556 -0.695 0.000 0.325 387 H C -1.311 173.870 175.328 -0.244 0.000 1.206 387 H CA -0.806 55.141 56.048 -0.169 0.000 1.316 387 H CB 0.528 30.239 29.762 -0.084 0.000 1.981 387 H HN 0.386 nan 8.280 nan 0.000 0.527 388 H N 0.000 119.154 119.070 0.140 0.000 2.539 388 H HA 0.000 4.139 4.556 -0.695 0.000 0.296 388 H CA 0.000 56.102 56.048 0.089 0.000 1.023 388 H CB 0.000 29.786 29.762 0.040 0.000 1.292 388 H HN 0.000 nan 8.280 nan 0.000 0.496