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 2qy6_1_A DATA FIRST_RESID 20 DATA SEQUENCE SLKHYSIQPA NLEFNAEGTP VSRDFDDVYF SNDNGLEETR YVFLGGNQLE DATA SEQUENCE ARFPEHPHPL FVVAESGFGT GLNFLTLWQA FDQFREAHPQ AQLQRLHFIS DATA SEQUENCE FEKFPLTRAD LALAHQHWPE LAPWAEQLQA QWPMPLPGCH RLLLDXXRVT DATA SEQUENCE LDLWFGDINE LISQLDDSLN QKVDAWFLDG FAPAKNPDMW TQNLFNAMAR DATA SEQUENCE LARPGGTLAT FTSAGFVRRG LQEAGFTMQK RKGFGRKREM LCGVME 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.444 174.600 -0.259 0.000 1.055 20 S CA 0.000 58.138 58.200 -0.103 0.000 1.107 20 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 21 L N 1.919 122.977 121.223 -0.277 0.000 2.191 21 L HA 0.066 4.406 4.340 -0.000 0.000 0.212 21 L C 2.492 179.068 176.870 -0.491 0.000 1.103 21 L CA 1.270 55.861 54.840 -0.414 0.000 0.769 21 L CB -0.251 41.663 42.059 -0.241 0.000 0.908 21 L HN 0.252 nan 8.230 nan 0.000 0.438 22 K N -0.716 119.460 120.400 -0.374 0.000 2.026 22 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 22 K C 1.531 177.856 176.600 -0.458 0.000 1.048 22 K CA 1.282 57.297 56.287 -0.453 0.000 0.929 22 K CB 0.106 32.242 32.500 -0.607 0.000 0.713 22 K HN 0.403 nan 8.250 nan 0.000 0.439 23 H N -2.099 116.901 119.070 -0.116 0.000 3.058 23 H HA 0.104 4.660 4.556 -0.000 0.000 0.266 23 H C 0.109 175.525 175.328 0.147 0.000 1.135 23 H CA -0.021 56.041 56.048 0.024 0.000 1.174 23 H CB 0.311 30.087 29.762 0.024 0.000 1.581 23 H HN 0.125 nan 8.280 nan 0.000 0.553 24 Y N 0.812 121.177 120.300 0.108 0.000 2.845 24 Y HA -0.436 4.113 4.550 -0.000 0.000 0.468 24 Y C 2.307 178.255 175.900 0.081 0.000 1.163 24 Y CA 1.805 59.951 58.100 0.077 0.000 2.636 24 Y CB -1.357 37.143 38.460 0.068 0.000 1.194 24 Y HN 0.259 nan 8.280 nan 0.000 0.626 25 S N 0.225 116.087 115.700 0.270 0.000 2.558 25 S HA 0.196 4.666 4.470 -0.000 0.000 0.217 25 S C 0.376 175.015 174.600 0.065 0.000 0.975 25 S CA 0.222 58.501 58.200 0.131 0.000 0.912 25 S CB -0.104 63.152 63.200 0.094 0.000 0.776 25 S HN 0.303 nan 8.310 nan 0.000 0.526 26 I N 2.612 123.237 120.570 0.092 0.000 2.556 26 I HA 0.265 4.435 4.170 -0.000 0.000 0.284 26 I C 0.388 176.437 176.117 -0.113 0.000 1.114 26 I CA 0.242 61.521 61.300 -0.034 0.000 1.418 26 I CB 0.323 38.320 38.000 -0.005 0.000 1.394 26 I HN 0.418 nan 8.210 nan 0.000 0.552 27 Q N 7.893 127.571 119.800 -0.204 0.000 2.348 27 Q HA 0.415 4.755 4.340 -0.000 0.000 0.265 27 Q C -2.462 173.504 176.000 -0.056 0.000 0.998 27 Q CA -1.706 54.026 55.803 -0.119 0.000 0.831 27 Q CB 1.871 30.629 28.738 0.034 0.000 1.251 27 Q HN 0.320 nan 8.270 nan 0.000 0.456 28 P HA -0.032 nan 4.420 nan 0.000 0.267 28 P C -1.128 176.287 177.300 0.191 0.000 1.200 28 P CA 0.084 63.177 63.100 -0.010 0.000 0.772 28 P CB 0.603 32.260 31.700 -0.072 0.000 0.855 29 A N 2.573 125.543 122.820 0.249 0.000 2.540 29 A HA 0.069 4.389 4.320 -0.000 0.000 0.239 29 A C 0.520 178.175 177.584 0.120 0.000 1.061 29 A CA 0.309 52.488 52.037 0.237 0.000 0.758 29 A CB -0.633 18.546 19.000 0.298 0.000 0.991 29 A HN 0.561 nan 8.150 nan 0.000 0.502 30 N N 2.192 120.904 118.700 0.020 0.000 2.457 30 N HA 0.485 5.225 4.740 -0.000 0.000 0.250 30 N C -0.979 174.535 175.510 0.007 0.000 0.982 30 N CA -0.174 52.878 53.050 0.003 0.000 0.941 30 N CB 0.168 38.617 38.487 -0.064 0.000 1.120 30 N HN 0.528 nan 8.380 nan 0.000 0.505 31 L N 1.395 122.652 121.223 0.057 0.000 2.333 31 L HA 0.575 4.915 4.340 -0.000 0.000 0.269 31 L C 0.179 177.077 176.870 0.047 0.000 1.010 31 L CA -0.912 53.945 54.840 0.027 0.000 0.818 31 L CB 2.019 44.063 42.059 -0.025 0.000 1.306 31 L HN 0.515 nan 8.230 nan 0.000 0.430 32 E N 1.218 121.402 120.200 -0.028 0.000 2.238 32 E HA 0.477 4.827 4.350 -0.000 0.000 0.267 32 E C -1.758 174.820 176.600 -0.037 0.000 0.887 32 E CA -0.600 55.834 56.400 0.057 0.000 0.769 32 E CB 1.843 31.558 29.700 0.026 0.000 1.187 32 E HN 0.337 nan 8.360 nan 0.000 0.416 33 F N 3.618 123.586 119.950 0.030 0.000 2.410 33 F HA 0.248 4.775 4.527 -0.000 0.000 0.349 33 F C 0.853 176.669 175.800 0.027 0.000 1.117 33 F CA -0.865 57.156 58.000 0.035 0.000 1.104 33 F CB 0.872 39.900 39.000 0.047 0.000 1.122 33 F HN 0.512 nan 8.300 nan 0.000 0.483 34 N N 2.129 120.905 118.700 0.128 0.000 2.405 34 N HA 0.287 5.027 4.740 -0.000 0.000 0.269 34 N C 0.857 176.426 175.510 0.097 0.000 1.249 34 N CA -0.176 52.921 53.050 0.078 0.000 0.974 34 N CB 0.288 38.789 38.487 0.024 0.000 1.204 34 N HN 0.571 nan 8.380 nan 0.000 0.565 35 A N -0.621 122.238 122.820 0.066 0.000 2.084 35 A HA -0.185 4.135 4.320 -0.000 0.000 0.221 35 A C 1.428 179.053 177.584 0.068 0.000 1.161 35 A CA 1.494 53.566 52.037 0.060 0.000 0.653 35 A CB -0.796 18.230 19.000 0.042 0.000 0.802 35 A HN 0.827 nan 8.150 nan 0.000 0.457 36 E N -1.946 118.304 120.200 0.083 0.000 2.474 36 E HA 0.316 4.666 4.350 -0.000 0.000 0.195 36 E C 1.067 177.760 176.600 0.155 0.000 1.039 36 E CA 0.234 56.693 56.400 0.097 0.000 0.881 36 E CB 0.087 29.843 29.700 0.093 0.000 0.970 36 E HN 0.700 nan 8.360 nan 0.000 0.486 37 G N 1.829 110.740 108.800 0.186 0.000 2.143 37 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.249 37 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.249 37 G C 0.336 175.528 174.900 0.487 0.000 0.981 37 G CA 0.385 45.667 45.100 0.303 0.000 0.665 37 G HN 0.241 nan 8.290 nan 0.000 0.528 38 T N 3.203 117.889 114.554 0.221 0.000 2.884 38 T HA 0.497 4.847 4.350 -0.000 0.000 0.298 38 T C -2.025 172.505 174.700 -0.284 0.000 0.998 38 T CA -0.685 61.352 62.100 -0.104 0.000 1.124 38 T CB 1.887 70.631 68.868 -0.206 0.000 0.931 38 T HN 0.188 nan 8.240 nan 0.000 0.531 39 P HA 0.192 nan 4.420 nan 0.000 0.266 39 P C -0.897 176.218 177.300 -0.309 0.000 1.215 39 P CA -0.174 62.436 63.100 -0.817 0.000 0.763 39 P CB 0.364 31.648 31.700 -0.693 0.000 0.806 40 V N 3.144 122.917 119.914 -0.236 0.000 2.448 40 V HA 0.228 4.348 4.120 -0.000 0.000 0.295 40 V C 0.794 176.881 176.094 -0.012 0.000 1.025 40 V CA -0.652 61.599 62.300 -0.081 0.000 0.859 40 V CB 1.607 33.370 31.823 -0.099 0.000 0.988 40 V HN 0.554 nan 8.190 nan 0.000 0.431 41 S N 4.748 120.431 115.700 -0.029 0.000 2.465 41 S HA 0.170 4.640 4.470 -0.000 0.000 0.280 41 S C 1.188 175.656 174.600 -0.221 0.000 1.232 41 S CA -0.416 57.714 58.200 -0.118 0.000 1.066 41 S CB 0.119 63.026 63.200 -0.490 0.000 0.929 41 S HN 0.650 nan 8.310 nan 0.000 0.494 42 R N 3.237 123.619 120.500 -0.196 0.000 2.299 42 R HA 0.041 4.381 4.340 -0.000 0.000 0.197 42 R C 0.607 176.682 176.300 -0.375 0.000 0.971 42 R CA 0.380 56.346 56.100 -0.223 0.000 1.030 42 R CB -0.112 30.104 30.300 -0.142 0.000 0.932 42 R HN 0.704 nan 8.270 nan 0.000 0.477 43 D N -0.415 119.624 120.400 -0.602 0.000 2.183 43 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 43 D C 0.803 176.396 176.300 -1.178 0.000 0.962 43 D CA 1.146 54.508 54.000 -1.063 0.000 0.849 43 D CB 0.125 39.881 40.800 -1.740 0.000 0.978 43 D HN 0.194 nan 8.370 nan 0.000 0.488 44 F N 0.401 119.993 119.950 -0.596 0.000 2.746 44 F HA 0.149 4.676 4.527 -0.000 0.000 0.320 44 F C -0.146 175.389 175.800 -0.442 0.000 1.097 44 F CA -0.459 57.191 58.000 -0.583 0.000 1.195 44 F CB 0.425 38.821 39.000 -1.007 0.000 1.056 44 F HN -0.324 nan 8.300 nan 0.000 0.562 45 D N 1.701 121.952 120.400 -0.247 0.000 2.716 45 D HA -0.188 4.452 4.640 -0.000 0.000 0.239 45 D C -0.604 175.639 176.300 -0.096 0.000 1.125 45 D CA 1.062 54.975 54.000 -0.145 0.000 0.681 45 D CB -0.816 39.928 40.800 -0.093 0.000 1.070 45 D HN 0.333 nan 8.370 nan 0.000 0.432 46 D N -1.051 119.280 120.400 -0.115 0.000 2.654 46 D HA 0.331 4.971 4.640 -0.000 0.000 0.231 46 D C -0.206 176.111 176.300 0.027 0.000 1.239 46 D CA -0.580 53.424 54.000 0.007 0.000 0.790 46 D CB 2.092 42.978 40.800 0.145 0.000 1.480 46 D HN -0.072 nan 8.370 nan 0.000 0.442 47 V N 1.436 121.349 119.914 -0.002 0.000 2.872 47 V HA 0.108 4.228 4.120 -0.000 0.000 0.307 47 V C 1.044 177.104 176.094 -0.057 0.000 1.072 47 V CA 0.290 62.549 62.300 -0.068 0.000 1.148 47 V CB 0.257 32.010 31.823 -0.116 0.000 0.954 47 V HN 0.619 nan 8.190 nan 0.000 0.490 48 Y N 3.625 123.808 120.300 -0.195 0.000 2.457 48 Y HA 0.256 4.806 4.550 -0.000 0.000 0.292 48 Y C 0.787 176.599 175.900 -0.146 0.000 1.125 48 Y CA 1.443 59.428 58.100 -0.191 0.000 1.254 48 Y CB 0.067 38.442 38.460 -0.143 0.000 1.012 48 Y HN 0.832 nan 8.280 nan 0.000 0.555 49 F N -4.662 115.344 119.950 0.093 0.000 2.773 49 F HA 0.428 4.955 4.527 -0.000 0.000 0.314 49 F C -0.477 175.360 175.800 0.062 0.000 1.160 49 F CA -2.417 55.607 58.000 0.041 0.000 0.920 49 F CB 0.569 39.621 39.000 0.087 0.000 1.323 49 F HN -0.482 nan 8.300 nan 0.000 0.457 50 S N 2.006 117.924 115.700 0.362 0.000 2.466 50 S HA 0.047 4.517 4.470 -0.000 0.000 0.286 50 S C 1.137 176.055 174.600 0.530 0.000 1.221 50 S CA -0.046 58.336 58.200 0.304 0.000 1.091 50 S CB -0.357 62.954 63.200 0.186 0.000 0.956 50 S HN 0.812 nan 8.310 nan 0.000 0.501 51 N N 4.381 123.304 118.700 0.371 0.000 2.094 51 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 51 N C 0.718 176.441 175.510 0.355 0.000 1.023 51 N CA 2.015 55.280 53.050 0.358 0.000 0.857 51 N CB -0.169 38.436 38.487 0.197 0.000 1.013 51 N HN 0.683 nan 8.380 nan 0.000 0.426 52 D N -0.137 120.438 120.400 0.292 0.000 2.123 52 D HA -0.025 4.615 4.640 -0.000 0.000 0.200 52 D C 0.654 177.157 176.300 0.338 0.000 0.976 52 D CA 1.119 55.277 54.000 0.263 0.000 0.831 52 D CB -0.243 40.668 40.800 0.184 0.000 0.974 52 D HN 0.465 nan 8.370 nan 0.000 0.469 53 N N -1.025 117.861 118.700 0.309 0.000 2.143 53 N HA 0.154 4.894 4.740 -0.000 0.000 0.229 53 N C 1.490 176.933 175.510 -0.111 0.000 1.294 53 N CA 0.025 53.162 53.050 0.146 0.000 0.883 53 N CB 1.501 40.100 38.487 0.187 0.000 1.148 53 N HN -0.020 nan 8.380 nan 0.000 0.511 54 G N 1.641 110.410 108.800 -0.051 0.000 2.529 54 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 54 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 54 G C 1.376 175.805 174.900 -0.786 0.000 1.177 54 G CA 0.846 45.697 45.100 -0.414 0.000 0.773 54 G HN 0.178 nan 8.290 nan 0.000 0.573 55 L N 0.552 121.060 121.223 -1.191 0.000 1.994 55 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 55 L C 2.659 179.247 176.870 -0.469 0.000 1.071 55 L CA 2.083 56.424 54.840 -0.832 0.000 0.745 55 L CB -0.811 40.810 42.059 -0.730 0.000 0.892 55 L HN 0.155 nan 8.230 nan 0.000 0.431 56 E N -0.268 119.719 120.200 -0.354 0.000 2.110 56 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 56 E C 2.101 178.395 176.600 -0.510 0.000 0.988 56 E CA 1.370 57.625 56.400 -0.241 0.000 0.804 56 E CB -0.048 29.646 29.700 -0.009 0.000 0.745 56 E HN 0.684 nan 8.360 nan 0.000 0.458 57 E N 0.017 119.674 120.200 -0.905 0.000 2.047 57 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 57 E C 1.844 178.159 176.600 -0.475 0.000 0.987 57 E CA 1.658 57.345 56.400 -1.188 0.000 0.799 57 E CB 0.076 29.121 29.700 -1.090 0.000 0.752 57 E HN 0.090 nan 8.360 nan 0.000 0.449 58 T N 0.969 115.317 114.554 -0.343 0.000 2.665 58 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 58 T C 1.835 176.454 174.700 -0.134 0.000 1.035 58 T CA 1.672 63.684 62.100 -0.146 0.000 1.151 58 T CB -0.290 68.467 68.868 -0.186 0.000 0.862 58 T HN 0.224 nan 8.240 nan 0.000 0.438 59 R N -0.402 119.996 120.500 -0.170 0.000 2.081 59 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 59 R C 2.354 178.614 176.300 -0.066 0.000 1.131 59 R CA 1.566 57.603 56.100 -0.105 0.000 0.960 59 R CB -0.506 29.744 30.300 -0.083 0.000 0.856 59 R HN 0.501 nan 8.270 nan 0.000 0.436 60 Y N 1.240 121.448 120.300 -0.152 0.000 2.184 60 Y HA -0.194 4.356 4.550 -0.000 0.000 0.290 60 Y C 2.143 177.951 175.900 -0.153 0.000 1.129 60 Y CA 1.308 59.367 58.100 -0.068 0.000 1.144 60 Y CB -0.168 38.374 38.460 0.137 0.000 0.995 60 Y HN -0.250 nan 8.280 nan 0.000 0.513 61 V N -0.271 119.544 119.914 -0.165 0.000 2.244 61 V HA -0.272 3.848 4.120 -0.000 0.000 0.244 61 V C 1.972 177.650 176.094 -0.694 0.000 1.042 61 V CA 2.282 64.290 62.300 -0.486 0.000 1.006 61 V CB -0.847 30.564 31.823 -0.687 0.000 0.641 61 V HN 0.338 nan 8.190 nan 0.000 0.446 62 F N -1.298 118.444 119.950 -0.347 0.000 2.374 62 F HA 0.143 4.670 4.527 -0.000 0.000 0.291 62 F C 1.871 177.380 175.800 -0.486 0.000 1.084 62 F CA 0.546 58.158 58.000 -0.647 0.000 1.413 62 F CB -0.630 37.609 39.000 -1.268 0.000 1.099 62 F HN 0.029 nan 8.300 nan 0.000 0.534 63 L N 0.035 121.152 121.223 -0.176 0.000 2.034 63 L HA 0.100 4.440 4.340 -0.000 0.000 0.203 63 L C 2.752 179.524 176.870 -0.164 0.000 1.074 63 L CA 1.903 56.676 54.840 -0.110 0.000 0.748 63 L CB -1.807 40.194 42.059 -0.096 0.000 0.905 63 L HN 0.165 nan 8.230 nan 0.000 0.439 64 G N -0.713 107.955 108.800 -0.220 0.000 2.446 64 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 64 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 64 G C 1.628 176.355 174.900 -0.289 0.000 1.168 64 G CA 0.848 45.775 45.100 -0.289 0.000 0.771 64 G HN 0.517 nan 8.290 nan 0.000 0.551 65 G N 0.221 108.829 108.800 -0.318 0.000 2.432 65 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 65 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 65 G C 1.536 176.374 174.900 -0.103 0.000 1.135 65 G CA 0.738 45.695 45.100 -0.238 0.000 0.767 65 G HN 0.436 nan 8.290 nan 0.000 0.550 66 N N 0.279 118.955 118.700 -0.040 0.000 2.280 66 N HA 0.041 4.781 4.740 -0.000 0.000 0.192 66 N C 0.238 175.752 175.510 0.006 0.000 1.109 66 N CA 0.100 53.188 53.050 0.062 0.000 0.855 66 N CB 0.324 38.944 38.487 0.223 0.000 0.974 66 N HN 0.366 nan 8.380 nan 0.000 0.482 67 Q N 0.081 119.834 119.800 -0.078 0.000 2.468 67 Q HA -0.166 4.174 4.340 -0.000 0.000 0.289 67 Q C 0.832 176.707 176.000 -0.207 0.000 1.299 67 Q CA 0.108 55.842 55.803 -0.116 0.000 0.838 67 Q CB -1.675 27.026 28.738 -0.061 0.000 1.195 67 Q HN 0.419 nan 8.270 nan 0.000 0.456 68 L N -0.502 120.530 121.223 -0.317 0.000 2.044 68 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 68 L C 2.189 178.458 176.870 -1.003 0.000 1.075 68 L CA 1.472 55.886 54.840 -0.710 0.000 0.747 68 L CB -0.264 41.378 42.059 -0.694 0.000 0.903 68 L HN 0.387 nan 8.230 nan 0.000 0.435 69 E N 0.273 120.115 120.200 -0.597 0.000 2.118 69 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 69 E C 2.224 178.662 176.600 -0.270 0.000 0.992 69 E CA 1.235 57.390 56.400 -0.409 0.000 0.804 69 E CB -0.098 29.495 29.700 -0.178 0.000 0.741 69 E HN 0.484 nan 8.360 nan 0.000 0.458 70 A N 1.050 123.744 122.820 -0.209 0.000 1.968 70 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 70 A C 2.026 179.543 177.584 -0.111 0.000 1.169 70 A CA 0.977 52.947 52.037 -0.111 0.000 0.638 70 A CB -0.196 18.762 19.000 -0.071 0.000 0.812 70 A HN 0.045 nan 8.150 nan 0.000 0.446 71 R N -1.659 118.730 120.500 -0.185 0.000 2.090 71 R HA 0.007 4.347 4.340 -0.000 0.000 0.228 71 R C 1.733 178.042 176.300 0.016 0.000 1.110 71 R CA 1.050 57.121 56.100 -0.049 0.000 0.973 71 R CB -0.331 29.974 30.300 0.008 0.000 0.869 71 R HN 0.471 nan 8.270 nan 0.000 0.440 72 F N 1.243 120.969 119.950 -0.373 0.000 2.091 72 F HA -0.111 4.416 4.527 0.000 0.000 0.299 72 F C -0.613 174.877 175.800 -0.515 0.000 1.103 72 F CA 0.798 58.358 58.000 -0.734 0.000 1.228 72 F CB -1.707 36.383 39.000 -1.518 0.000 0.984 72 F HN 0.053 nan 8.300 nan 0.000 0.477 73 P HA -0.088 nan 4.420 nan 0.000 0.229 73 P C 0.716 178.074 177.300 0.096 0.000 1.160 73 P CA 1.259 64.385 63.100 0.044 0.000 0.777 73 P CB 0.029 31.585 31.700 -0.240 0.000 0.814 74 E N -1.612 118.646 120.200 0.097 0.000 2.498 74 E HA 0.007 4.357 4.350 -0.000 0.000 0.203 74 E C 0.119 176.808 176.600 0.149 0.000 1.013 74 E CA -0.160 56.304 56.400 0.106 0.000 0.927 74 E CB -0.660 29.088 29.700 0.080 0.000 1.012 74 E HN 0.411 nan 8.360 nan 0.000 0.482 75 H N 3.818 122.960 119.070 0.119 0.000 3.026 75 H HA 0.052 4.608 4.556 -0.000 0.000 0.289 75 H C -1.757 173.615 175.328 0.073 0.000 1.022 75 H CA -1.391 54.762 56.048 0.176 0.000 1.477 75 H CB 0.959 30.928 29.762 0.344 0.000 1.510 75 H HN -0.164 nan 8.280 nan 0.000 0.535 76 P HA 0.105 nan 4.420 nan 0.000 0.236 76 P C -1.009 175.800 177.300 -0.819 0.000 1.709 76 P CA 0.279 63.071 63.100 -0.513 0.000 0.942 76 P CB 0.085 31.486 31.700 -0.500 0.000 1.615 77 H N -0.427 118.502 119.070 -0.235 0.000 3.012 77 H HA 0.215 4.771 4.556 -0.000 0.000 0.367 77 H C -2.170 173.228 175.328 0.116 0.000 1.211 77 H CA -1.591 54.406 56.048 -0.085 0.000 1.139 77 H CB 1.961 31.643 29.762 -0.133 0.000 1.838 77 H HN -0.173 nan 8.280 nan 0.000 0.550 78 P HA -0.022 nan 4.420 nan 0.000 0.229 78 P C 0.286 177.738 177.300 0.253 0.000 1.160 78 P CA 0.500 63.733 63.100 0.222 0.000 0.777 78 P CB 0.950 32.737 31.700 0.144 0.000 0.814 79 L N -0.589 120.794 121.223 0.268 0.000 2.365 79 L HA 0.604 4.944 4.340 -0.000 0.000 0.273 79 L C -1.272 175.765 176.870 0.278 0.000 1.000 79 L CA -1.238 53.727 54.840 0.208 0.000 0.819 79 L CB 1.809 43.924 42.059 0.093 0.000 1.284 79 L HN -0.281 nan 8.230 nan 0.000 0.418 80 F N 4.923 124.867 119.950 -0.010 0.000 2.444 80 F HA 0.685 5.212 4.527 -0.000 0.000 0.342 80 F C -0.799 174.919 175.800 -0.136 0.000 1.121 80 F CA -0.568 57.340 58.000 -0.153 0.000 0.997 80 F CB 1.614 40.413 39.000 -0.336 0.000 1.130 80 F HN 0.210 nan 8.300 nan 0.000 0.454 81 V N 6.990 126.716 119.914 -0.313 0.000 2.384 81 V HA 0.425 4.545 4.120 -0.000 0.000 0.287 81 V C -0.585 175.314 176.094 -0.324 0.000 1.020 81 V CA -0.711 61.451 62.300 -0.229 0.000 0.850 81 V CB 1.373 33.056 31.823 -0.233 0.000 0.987 81 V HN 0.536 nan 8.190 nan 0.000 0.436 82 V N 4.162 123.881 119.914 -0.324 0.000 2.513 82 V HA 0.859 4.979 4.120 -0.000 0.000 0.299 82 V C 0.280 175.783 176.094 -0.986 0.000 1.035 82 V CA -0.433 61.498 62.300 -0.615 0.000 0.889 82 V CB 1.836 33.276 31.823 -0.639 0.000 0.988 82 V HN 0.966 nan 8.190 nan 0.000 0.440 83 A N 3.795 125.964 122.820 -1.086 0.000 2.355 83 A HA 0.819 5.139 4.320 -0.000 0.000 0.317 83 A C -0.638 176.523 177.584 -0.706 0.000 1.094 83 A CA -0.572 50.820 52.037 -1.074 0.000 0.764 83 A CB 1.374 19.460 19.000 -1.523 0.000 1.230 83 A HN 0.840 nan 8.150 nan 0.000 0.448 84 E N 1.288 121.285 120.200 -0.338 0.000 2.248 84 E HA 0.431 4.780 4.350 -0.000 0.000 0.267 84 E C 0.623 177.454 176.600 0.386 0.000 0.877 84 E CA -0.032 56.408 56.400 0.067 0.000 0.759 84 E CB 1.656 31.373 29.700 0.028 0.000 1.182 84 E HN 0.654 nan 8.360 nan 0.000 0.418 85 S N 2.229 118.146 115.700 0.361 0.000 2.436 85 S HA 0.164 4.634 4.470 -0.000 0.000 0.228 85 S C 0.817 175.581 174.600 0.274 0.000 1.014 85 S CA 0.332 58.693 58.200 0.269 0.000 0.950 85 S CB 0.282 63.486 63.200 0.007 0.000 0.784 85 S HN 0.442 nan 8.310 nan 0.000 0.504 86 G N 0.008 108.975 108.800 0.277 0.000 2.744 86 G HA2 0.560 4.520 3.960 -0.000 0.000 0.286 86 G HA3 0.560 4.520 3.960 -0.000 0.000 0.286 86 G C -0.409 174.726 174.900 0.392 0.000 1.497 86 G CA -0.733 44.568 45.100 0.334 0.000 1.070 86 G HN 0.094 nan 8.290 nan 0.000 0.539 87 F N 3.106 123.267 119.950 0.352 0.000 2.113 87 F HA 0.226 4.753 4.527 0.000 0.000 0.297 87 F C 2.081 178.097 175.800 0.360 0.000 1.103 87 F CA 2.463 60.687 58.000 0.373 0.000 1.248 87 F CB 0.001 39.255 39.000 0.424 0.000 0.999 87 F HN 0.877 nan 8.300 nan 0.000 0.475 88 G N -0.190 108.928 108.800 0.531 0.000 2.561 88 G HA2 -0.472 3.487 3.960 -0.000 0.000 0.289 88 G HA3 -0.472 3.487 3.960 -0.000 0.000 0.289 88 G C 1.006 176.069 174.900 0.271 0.000 1.169 88 G CA 1.363 46.735 45.100 0.453 0.000 0.980 88 G HN 0.778 nan 8.290 nan 0.000 0.550 89 T N -0.886 113.704 114.554 0.060 0.000 3.085 89 T HA 0.383 4.733 4.350 -0.000 0.000 0.263 89 T C 2.595 177.310 174.700 0.026 0.000 1.127 89 T CA 1.848 63.970 62.100 0.037 0.000 1.103 89 T CB -0.069 68.896 68.868 0.161 0.000 0.921 89 T HN 2.798 nan 8.240 nan 0.000 0.510 90 G N 0.769 109.311 108.800 -0.429 0.000 2.176 90 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 90 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 90 G C 0.556 175.284 174.900 -0.287 0.000 0.979 90 G CA 0.338 44.959 45.100 -0.798 0.000 0.641 90 G HN 0.576 nan 8.290 nan 0.000 0.530 91 L N 1.435 122.547 121.223 -0.186 0.000 2.021 91 L HA -0.082 4.258 4.340 -0.000 0.000 0.215 91 L C 2.393 179.144 176.870 -0.197 0.000 1.074 91 L CA 3.193 57.901 54.840 -0.219 0.000 0.760 91 L CB -0.619 41.287 42.059 -0.254 0.000 0.889 91 L HN 0.363 nan 8.230 nan 0.000 0.433 92 N N -0.788 117.840 118.700 -0.120 0.000 2.120 92 N HA -0.242 4.498 4.740 -0.000 0.000 0.188 92 N C 1.793 177.347 175.510 0.072 0.000 1.024 92 N CA 1.826 54.890 53.050 0.023 0.000 0.852 92 N CB -0.744 37.832 38.487 0.149 0.000 1.003 92 N HN 0.512 nan 8.380 nan 0.000 0.424 93 F N 1.657 121.455 119.950 -0.254 0.000 2.102 93 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 93 F C 2.014 177.669 175.800 -0.242 0.000 1.105 93 F CA 1.007 58.663 58.000 -0.573 0.000 1.239 93 F CB -0.429 38.156 39.000 -0.692 0.000 0.991 93 F HN -0.076 nan 8.300 nan 0.000 0.474 94 L N -0.410 120.596 121.223 -0.361 0.000 2.046 94 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 94 L C 2.358 178.974 176.870 -0.423 0.000 1.077 94 L CA 1.782 56.407 54.840 -0.359 0.000 0.747 94 L CB -1.211 40.732 42.059 -0.193 0.000 0.896 94 L HN 0.151 nan 8.230 nan 0.000 0.432 95 T N 0.228 114.590 114.554 -0.320 0.000 2.746 95 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 95 T C 1.811 176.382 174.700 -0.215 0.000 1.039 95 T CA 1.417 63.349 62.100 -0.280 0.000 1.142 95 T CB -0.235 68.506 68.868 -0.212 0.000 0.866 95 T HN 0.136 nan 8.240 nan 0.000 0.444 96 L N 0.045 121.192 121.223 -0.126 0.000 2.056 96 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 96 L C 2.111 178.956 176.870 -0.040 0.000 1.078 96 L CA 1.539 56.391 54.840 0.020 0.000 0.749 96 L CB -0.732 41.444 42.059 0.195 0.000 0.901 96 L HN 0.362 nan 8.230 nan 0.000 0.433 97 W N 0.719 121.677 121.300 -0.570 0.000 2.355 97 W HA -0.240 4.420 4.660 -0.000 0.000 0.309 97 W C 2.659 178.805 176.519 -0.622 0.000 1.206 97 W CA 2.065 59.065 57.345 -0.575 0.000 1.284 97 W CB -0.947 27.987 29.460 -0.877 0.000 1.145 97 W HN 0.468 nan 8.180 nan 0.000 0.502 98 Q N 0.173 119.375 119.800 -0.996 0.000 2.029 98 Q HA -0.273 4.067 4.340 -0.000 0.000 0.209 98 Q C 2.285 178.051 176.000 -0.389 0.000 0.999 98 Q CA 2.892 57.983 55.803 -1.187 0.000 0.857 98 Q CB -0.668 27.377 28.738 -1.156 0.000 0.926 98 Q HN 0.196 nan 8.270 nan 0.000 0.415 99 A N 0.186 122.900 122.820 -0.176 0.000 1.908 99 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 99 A C 1.878 179.613 177.584 0.252 0.000 1.181 99 A CA 1.581 53.645 52.037 0.044 0.000 0.627 99 A CB -1.085 17.958 19.000 0.071 0.000 0.818 99 A HN 0.636 nan 8.150 nan 0.000 0.445 100 F N 1.043 121.092 119.950 0.166 0.000 2.102 100 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 100 F C 1.789 177.731 175.800 0.236 0.000 1.105 100 F CA 2.101 60.234 58.000 0.221 0.000 1.239 100 F CB -0.332 38.725 39.000 0.095 0.000 0.991 100 F HN 0.246 nan 8.300 nan 0.000 0.474 101 D N 0.011 120.534 120.400 0.205 0.000 2.123 101 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 101 D C 2.259 178.575 176.300 0.027 0.000 0.992 101 D CA 1.557 55.630 54.000 0.122 0.000 0.833 101 D CB -0.400 40.555 40.800 0.259 0.000 0.954 101 D HN 0.448 nan 8.370 nan 0.000 0.455 102 Q N -0.859 118.973 119.800 0.054 0.000 2.096 102 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 102 Q C 2.090 178.132 176.000 0.070 0.000 0.982 102 Q CA 1.097 56.936 55.803 0.059 0.000 0.850 102 Q CB -0.283 28.493 28.738 0.063 0.000 0.901 102 Q HN 0.380 nan 8.270 nan 0.000 0.422 103 F N 1.392 121.335 119.950 -0.011 0.000 2.134 103 F HA -0.168 4.358 4.527 -0.000 0.000 0.299 103 F C 2.000 177.759 175.800 -0.067 0.000 1.097 103 F CA 1.392 59.404 58.000 0.020 0.000 1.264 103 F CB -0.025 39.013 39.000 0.064 0.000 1.001 103 F HN -0.135 nan 8.300 nan 0.000 0.479 104 R N 0.124 120.222 120.500 -0.670 0.000 2.092 104 R HA -0.164 4.176 4.340 -0.000 0.000 0.231 104 R C 2.135 178.195 176.300 -0.399 0.000 1.119 104 R CA 1.494 57.154 56.100 -0.734 0.000 0.970 104 R CB -0.616 29.365 30.300 -0.532 0.000 0.864 104 R HN 0.329 nan 8.270 nan 0.000 0.440 105 E N 0.916 120.979 120.200 -0.227 0.000 2.085 105 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 105 E C 1.739 178.244 176.600 -0.159 0.000 0.994 105 E CA 1.692 58.009 56.400 -0.138 0.000 0.801 105 E CB -0.072 29.590 29.700 -0.063 0.000 0.743 105 E HN 0.334 nan 8.360 nan 0.000 0.453 106 A N -0.956 121.763 122.820 -0.168 0.000 2.021 106 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 106 A C 0.483 177.813 177.584 -0.423 0.000 1.163 106 A CA 1.030 52.932 52.037 -0.224 0.000 0.676 106 A CB -0.219 18.718 19.000 -0.104 0.000 0.818 106 A HN 0.323 nan 8.150 nan 0.000 0.453 107 H N -1.143 117.717 119.070 -0.349 0.000 2.439 107 H HA 0.230 4.786 4.556 -0.000 0.000 0.230 107 H C -2.023 173.054 175.328 -0.417 0.000 1.420 107 H CA -1.299 54.538 56.048 -0.352 0.000 1.305 107 H CB 0.691 30.232 29.762 -0.369 0.000 1.667 107 H HN 0.273 nan 8.280 nan 0.000 0.515 108 P HA -0.163 nan 4.420 nan 0.000 0.222 108 P C 0.538 177.785 177.300 -0.088 0.000 1.147 108 P CA 1.098 64.102 63.100 -0.161 0.000 0.790 108 P CB 0.515 32.150 31.700 -0.108 0.000 0.780 109 Q N -0.858 118.917 119.800 -0.042 0.000 2.188 109 Q HA 0.385 4.725 4.340 -0.000 0.000 0.212 109 Q C 0.570 176.599 176.000 0.049 0.000 0.846 109 Q CA -0.421 55.385 55.803 0.006 0.000 0.989 109 Q CB 0.451 29.194 28.738 0.009 0.000 1.114 109 Q HN 0.129 nan 8.270 nan 0.000 0.488 110 A N 0.656 123.516 122.820 0.066 0.000 2.406 110 A HA -0.025 4.295 4.320 -0.000 0.000 0.243 110 A C 1.022 178.699 177.584 0.154 0.000 1.082 110 A CA -0.149 51.981 52.037 0.155 0.000 0.786 110 A CB 0.476 19.648 19.000 0.287 0.000 1.029 110 A HN 0.402 nan 8.150 nan 0.000 0.495 111 Q N -0.190 119.707 119.800 0.162 0.000 2.096 111 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 111 Q C 0.505 176.629 176.000 0.207 0.000 0.982 111 Q CA 1.168 57.057 55.803 0.143 0.000 0.850 111 Q CB -0.189 28.606 28.738 0.094 0.000 0.901 111 Q HN 0.663 nan 8.270 nan 0.000 0.422 112 L N 1.541 122.948 121.223 0.307 0.000 2.433 112 L HA -0.002 4.338 4.340 -0.000 0.000 0.275 112 L C 0.103 177.203 176.870 0.384 0.000 1.128 112 L CA 0.580 55.652 54.840 0.388 0.000 0.875 112 L CB 0.978 43.283 42.059 0.409 0.000 1.171 112 L HN 0.184 nan 8.230 nan 0.000 0.463 113 Q N 4.668 124.669 119.800 0.335 0.000 2.245 113 Q HA 0.313 4.653 4.340 -0.000 0.000 0.250 113 Q C -0.171 176.085 176.000 0.427 0.000 0.830 113 Q CA 0.336 56.315 55.803 0.293 0.000 0.950 113 Q CB 1.000 29.846 28.738 0.180 0.000 1.124 113 Q HN 0.660 nan 8.270 nan 0.000 0.502 114 R N 0.192 120.940 120.500 0.415 0.000 2.725 114 R HA 0.591 4.931 4.340 -0.000 0.000 0.277 114 R C -1.399 174.869 176.300 -0.053 0.000 0.987 114 R CA -0.794 55.449 56.100 0.238 0.000 0.901 114 R CB 2.092 32.465 30.300 0.122 0.000 1.207 114 R HN -0.090 nan 8.270 nan 0.000 0.463 115 L N 1.375 122.374 121.223 -0.373 0.000 2.362 115 L HA 0.496 4.836 4.340 -0.000 0.000 0.275 115 L C -1.407 175.382 176.870 -0.136 0.000 0.998 115 L CA -0.457 54.074 54.840 -0.516 0.000 0.820 115 L CB 1.511 42.827 42.059 -1.238 0.000 1.270 115 L HN 0.635 nan 8.230 nan 0.000 0.415 116 H N 4.127 123.115 119.070 -0.137 0.000 2.609 116 H HA 0.505 5.061 4.556 0.000 0.000 0.344 116 H C -2.046 173.264 175.328 -0.029 0.000 1.040 116 H CA -0.581 55.419 56.048 -0.081 0.000 1.216 116 H CB 1.263 30.968 29.762 -0.096 0.000 1.529 116 H HN 0.574 nan 8.280 nan 0.000 0.519 117 F N 6.066 125.731 119.950 -0.476 0.000 2.467 117 F HA 0.545 5.072 4.527 -0.000 0.000 0.336 117 F C -1.211 174.234 175.800 -0.592 0.000 1.123 117 F CA -0.754 56.996 58.000 -0.415 0.000 0.964 117 F CB 0.755 39.696 39.000 -0.098 0.000 1.136 117 F HN 0.482 nan 8.300 nan 0.000 0.447 118 I N 4.868 125.027 120.570 -0.685 0.000 2.418 118 I HA 0.413 4.583 4.170 -0.000 0.000 0.287 118 I C -0.469 175.398 176.117 -0.416 0.000 1.008 118 I CA -0.419 60.588 61.300 -0.489 0.000 1.104 118 I CB 1.831 39.571 38.000 -0.433 0.000 1.264 118 I HN 0.469 nan 8.210 nan 0.000 0.438 119 S N 5.285 120.812 115.700 -0.288 0.000 2.595 119 S HA 0.783 5.253 4.470 -0.000 0.000 0.281 119 S C -1.282 173.160 174.600 -0.263 0.000 1.117 119 S CA -0.412 57.751 58.200 -0.062 0.000 0.873 119 S CB 1.184 64.622 63.200 0.396 0.000 1.108 119 S HN 0.325 nan 8.310 nan 0.000 0.477 120 F N 1.536 121.655 119.950 0.281 0.000 2.551 120 F HA 0.695 5.222 4.527 -0.000 0.000 0.316 120 F C -0.065 175.958 175.800 0.372 0.000 1.089 120 F CA -0.616 57.563 58.000 0.298 0.000 0.915 120 F CB 2.061 41.168 39.000 0.178 0.000 1.186 120 F HN 0.450 nan 8.300 nan 0.000 0.456 121 E N 1.659 122.208 120.200 0.582 0.000 2.307 121 E HA 0.264 4.614 4.350 -0.000 0.000 0.280 121 E C -0.181 176.642 176.600 0.372 0.000 0.900 121 E CA -0.572 56.141 56.400 0.522 0.000 0.790 121 E CB 1.797 31.848 29.700 0.585 0.000 1.261 121 E HN 0.461 nan 8.360 nan 0.000 0.405 122 K N 2.892 123.478 120.400 0.310 0.000 2.116 122 K HA 0.208 4.528 4.320 -0.000 0.000 0.203 122 K C -0.234 176.251 176.600 -0.191 0.000 1.052 122 K CA 1.015 57.347 56.287 0.074 0.000 0.952 122 K CB 0.180 32.753 32.500 0.121 0.000 0.729 122 K HN 0.388 nan 8.250 nan 0.000 0.446 123 F N 2.831 122.908 119.950 0.211 0.000 2.453 123 F HA 0.360 4.887 4.527 0.000 0.000 0.358 123 F C -2.267 173.601 175.800 0.113 0.000 1.129 123 F CA -2.734 55.347 58.000 0.136 0.000 1.200 123 F CB 1.216 40.351 39.000 0.225 0.000 1.431 123 F HN -0.051 nan 8.300 nan 0.000 0.503 124 P HA 0.079 nan 4.420 nan 0.000 0.271 124 P C -0.284 177.155 177.300 0.232 0.000 1.216 124 P CA -0.281 62.818 63.100 -0.002 0.000 0.776 124 P CB 1.368 32.578 31.700 -0.817 0.000 0.881 125 L N 2.712 124.191 121.223 0.428 0.000 2.461 125 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 125 L C 1.647 178.767 176.870 0.416 0.000 1.197 125 L CA 0.722 55.756 54.840 0.322 0.000 0.836 125 L CB -0.353 41.798 42.059 0.154 0.000 1.105 125 L HN 0.494 nan 8.230 nan 0.000 0.477 126 T N -0.325 114.386 114.554 0.261 0.000 2.802 126 T HA 0.120 4.470 4.350 -0.000 0.000 0.305 126 T C 1.256 176.077 174.700 0.202 0.000 1.053 126 T CA -0.300 61.957 62.100 0.261 0.000 1.058 126 T CB 0.503 69.470 68.868 0.164 0.000 0.988 126 T HN 0.609 nan 8.240 nan 0.000 0.539 127 R N 0.621 121.256 120.500 0.225 0.000 2.115 127 R HA -0.029 4.311 4.340 -0.000 0.000 0.230 127 R C 2.565 178.861 176.300 -0.007 0.000 1.111 127 R CA 1.241 57.395 56.100 0.091 0.000 0.976 127 R CB -0.848 29.579 30.300 0.212 0.000 0.870 127 R HN 0.859 nan 8.270 nan 0.000 0.445 128 A N 1.109 123.951 122.820 0.036 0.000 1.855 128 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 128 A C 1.619 179.199 177.584 -0.006 0.000 1.191 128 A CA 1.728 53.769 52.037 0.006 0.000 0.613 128 A CB -0.502 18.509 19.000 0.019 0.000 0.829 128 A HN 0.269 nan 8.150 nan 0.000 0.442 129 D N -0.354 120.078 120.400 0.054 0.000 2.123 129 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 129 D C 1.832 178.152 176.300 0.034 0.000 0.992 129 D CA 1.272 55.362 54.000 0.150 0.000 0.833 129 D CB -0.462 40.451 40.800 0.188 0.000 0.954 129 D HN 0.303 nan 8.370 nan 0.000 0.455 130 L N 0.866 121.995 121.223 -0.156 0.000 2.012 130 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 130 L C 2.191 178.749 176.870 -0.520 0.000 1.073 130 L CA 1.988 56.556 54.840 -0.453 0.000 0.748 130 L CB -0.644 40.967 42.059 -0.747 0.000 0.891 130 L HN 0.000 nan 8.230 nan 0.000 0.431 131 A N -1.068 121.589 122.820 -0.272 0.000 1.933 131 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 131 A C 2.300 179.854 177.584 -0.050 0.000 1.175 131 A CA 1.843 53.794 52.037 -0.143 0.000 0.628 131 A CB -0.773 18.191 19.000 -0.060 0.000 0.814 131 A HN 0.485 nan 8.150 nan 0.000 0.444 132 L N -0.965 120.244 121.223 -0.024 0.000 2.027 132 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 132 L C 3.149 180.177 176.870 0.265 0.000 1.074 132 L CA 1.025 55.886 54.840 0.035 0.000 0.745 132 L CB -0.536 41.449 42.059 -0.123 0.000 0.898 132 L HN 0.450 nan 8.230 nan 0.000 0.433 133 A N -0.488 122.532 122.820 0.334 0.000 1.892 133 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 133 A C 1.945 179.836 177.584 0.512 0.000 1.188 133 A CA 2.012 54.335 52.037 0.477 0.000 0.631 133 A CB -1.213 17.953 19.000 0.277 0.000 0.822 133 A HN 0.578 nan 8.150 nan 0.000 0.447 134 H N -0.859 118.355 119.070 0.239 0.000 2.491 134 H HA -0.079 4.477 4.556 -0.000 0.000 0.290 134 H C 2.088 177.489 175.328 0.121 0.000 1.050 134 H CA 0.845 57.009 56.048 0.194 0.000 1.309 134 H CB 0.001 29.840 29.762 0.129 0.000 1.392 134 H HN 0.651 nan 8.280 nan 0.000 0.554 135 Q N 0.010 119.916 119.800 0.177 0.000 2.364 135 Q HA -0.143 4.197 4.340 -0.000 0.000 0.209 135 Q C 1.401 177.300 176.000 -0.168 0.000 0.977 135 Q CA 0.674 56.474 55.803 -0.005 0.000 0.885 135 Q CB 0.064 28.758 28.738 -0.074 0.000 0.941 135 Q HN 0.723 nan 8.270 nan 0.000 0.464 136 H N -1.704 117.222 119.070 -0.240 0.000 2.491 136 H HA -0.101 4.455 4.556 -0.000 0.000 0.290 136 H C -0.209 174.461 175.328 -1.097 0.000 1.050 136 H CA 0.777 56.367 56.048 -0.764 0.000 1.309 136 H CB 0.180 29.351 29.762 -0.986 0.000 1.392 136 H HN 0.334 nan 8.280 nan 0.000 0.554 137 W N 0.598 121.941 121.300 0.073 0.000 2.291 137 W HA 0.298 4.958 4.660 -0.000 0.000 0.288 137 W C -2.168 174.357 176.519 0.010 0.000 0.976 137 W CA -2.010 55.336 57.345 0.001 0.000 1.744 137 W CB 0.636 30.046 29.460 -0.083 0.000 1.815 137 W HN -0.081 nan 8.180 nan 0.000 0.396 138 P HA -0.258 nan 4.420 nan 0.000 0.218 138 P C 1.542 178.904 177.300 0.103 0.000 1.148 138 P CA 1.635 64.782 63.100 0.078 0.000 0.822 138 P CB 0.372 32.090 31.700 0.030 0.000 0.784 139 E N -0.441 119.843 120.200 0.140 0.000 2.187 139 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 139 E C 1.422 178.153 176.600 0.218 0.000 1.004 139 E CA 0.937 57.428 56.400 0.151 0.000 0.813 139 E CB -0.370 29.416 29.700 0.144 0.000 0.736 139 E HN 0.256 nan 8.360 nan 0.000 0.468 140 L N -0.708 120.643 121.223 0.213 0.000 2.585 140 L HA 0.162 4.502 4.340 -0.000 0.000 0.226 140 L C 2.230 179.236 176.870 0.227 0.000 1.113 140 L CA 0.181 55.186 54.840 0.276 0.000 0.876 140 L CB 0.056 42.180 42.059 0.109 0.000 1.072 140 L HN 0.099 nan 8.230 nan 0.000 0.468 141 A N 1.471 124.352 122.820 0.103 0.000 1.927 141 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 141 A C -0.172 177.354 177.584 -0.097 0.000 1.185 141 A CA 1.825 53.874 52.037 0.019 0.000 0.639 141 A CB -1.671 17.331 19.000 0.003 0.000 0.820 141 A HN 0.262 nan 8.150 nan 0.000 0.451 142 P HA -0.170 nan 4.420 nan 0.000 0.216 142 P C 1.377 178.293 177.300 -0.640 0.000 1.153 142 P CA 1.355 64.104 63.100 -0.585 0.000 0.858 142 P CB -0.182 30.857 31.700 -1.101 0.000 0.789 143 W N -0.741 120.344 121.300 -0.359 0.000 2.481 143 W HA 0.199 4.859 4.660 -0.000 0.000 0.293 143 W C 2.444 178.872 176.519 -0.151 0.000 1.201 143 W CA 0.673 57.670 57.345 -0.579 0.000 1.328 143 W CB -1.364 27.538 29.460 -0.929 0.000 1.112 143 W HN -0.059 nan 8.180 nan 0.000 0.546 144 A N 1.311 124.199 122.820 0.113 0.000 1.917 144 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 144 A C 1.798 179.502 177.584 0.200 0.000 1.182 144 A CA 2.186 54.270 52.037 0.079 0.000 0.633 144 A CB -0.974 18.003 19.000 -0.039 0.000 0.819 144 A HN 0.354 nan 8.150 nan 0.000 0.448 145 E N -0.549 119.721 120.200 0.117 0.000 2.150 145 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 145 E C 2.297 178.995 176.600 0.163 0.000 0.985 145 E CA 1.224 57.695 56.400 0.119 0.000 0.814 145 E CB -0.163 29.560 29.700 0.040 0.000 0.752 145 E HN 0.756 nan 8.360 nan 0.000 0.466 146 Q N 0.245 120.159 119.800 0.191 0.000 2.079 146 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 146 Q C 2.338 178.570 176.000 0.386 0.000 0.974 146 Q CA 0.907 56.887 55.803 0.296 0.000 0.840 146 Q CB -0.143 28.845 28.738 0.416 0.000 0.898 146 Q HN 0.214 nan 8.270 nan 0.000 0.430 147 L N 1.028 122.541 121.223 0.483 0.000 2.046 147 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 147 L C 2.137 179.262 176.870 0.424 0.000 1.077 147 L CA 1.795 56.937 54.840 0.504 0.000 0.747 147 L CB -0.316 42.109 42.059 0.609 0.000 0.896 147 L HN 0.146 nan 8.230 nan 0.000 0.432 148 Q N -0.550 119.451 119.800 0.335 0.000 2.084 148 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 148 Q C 2.287 178.442 176.000 0.258 0.000 0.978 148 Q CA 1.702 57.651 55.803 0.244 0.000 0.844 148 Q CB -0.421 28.419 28.738 0.170 0.000 0.898 148 Q HN 0.710 nan 8.270 nan 0.000 0.426 149 A N 0.895 123.849 122.820 0.224 0.000 1.940 149 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 149 A C 1.629 179.326 177.584 0.188 0.000 1.176 149 A CA 1.328 53.473 52.037 0.180 0.000 0.631 149 A CB -0.176 18.913 19.000 0.149 0.000 0.814 149 A HN 0.344 nan 8.150 nan 0.000 0.446 150 Q N -1.560 118.376 119.800 0.226 0.000 2.204 150 Q HA 0.047 4.387 4.340 -0.000 0.000 0.209 150 Q C -0.273 175.852 176.000 0.209 0.000 0.861 150 Q CA -0.576 55.332 55.803 0.176 0.000 0.971 150 Q CB 0.174 28.992 28.738 0.133 0.000 1.095 150 Q HN 0.798 nan 8.270 nan 0.000 0.486 151 W N 4.919 126.262 121.300 0.072 0.000 2.469 151 W HA 0.108 4.768 4.660 -0.000 0.000 0.321 151 W C -2.455 174.084 176.519 0.034 0.000 1.415 151 W CA -1.359 56.031 57.345 0.075 0.000 1.308 151 W CB 0.723 30.258 29.460 0.125 0.000 1.368 151 W HN 0.036 nan 8.180 nan 0.000 0.546 152 P HA 0.152 nan 4.420 nan 0.000 0.276 152 P C -0.366 176.666 177.300 -0.446 0.000 1.252 152 P CA -0.187 62.615 63.100 -0.496 0.000 0.802 152 P CB 1.093 32.353 31.700 -0.734 0.000 1.035 153 M N 1.786 121.213 119.600 -0.289 0.000 2.248 153 M HA 0.145 4.625 4.480 -0.000 0.000 0.337 153 M C -1.715 174.551 176.300 -0.056 0.000 1.121 153 M CA -1.312 53.916 55.300 -0.120 0.000 1.155 153 M CB 0.089 32.658 32.600 -0.051 0.000 1.514 153 M HN 0.209 nan 8.290 nan 0.000 0.452 154 P HA 0.229 nan 4.420 nan 0.000 0.244 154 P C -1.318 176.092 177.300 0.182 0.000 1.769 154 P CA 0.433 63.533 63.100 -0.000 0.000 1.102 154 P CB -0.411 31.204 31.700 -0.141 0.000 1.937 155 L N 3.689 125.093 121.223 0.303 0.000 2.341 155 L HA 0.550 4.890 4.340 -0.000 0.000 0.267 155 L C -2.346 174.787 176.870 0.437 0.000 1.009 155 L CA -3.160 51.881 54.840 0.335 0.000 0.819 155 L CB 2.272 44.482 42.059 0.253 0.000 1.323 155 L HN -0.077 nan 8.230 nan 0.000 0.425 156 P HA 0.249 nan 4.420 nan 0.000 0.268 156 P C 0.166 177.475 177.300 0.015 0.000 1.204 156 P CA 0.486 63.681 63.100 0.158 0.000 0.768 156 P CB 0.780 32.496 31.700 0.026 0.000 0.842 157 G N 1.437 110.210 108.800 -0.044 0.000 2.384 157 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.204 157 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.204 157 G C -1.092 173.213 174.900 -0.991 0.000 1.237 157 G CA -0.409 44.500 45.100 -0.319 0.000 1.060 157 G HN 0.722 nan 8.290 nan 0.000 0.514 158 C N 2.203 120.673 119.300 -1.384 0.000 2.255 158 C HA 0.753 5.213 4.460 -0.000 0.000 0.326 158 C C -0.227 173.959 174.990 -1.341 0.000 1.258 158 C CA -0.787 57.155 59.018 -1.794 0.000 1.676 158 C CB -1.261 25.257 27.740 -2.037 0.000 2.314 158 C HN 0.661 nan 8.230 nan 0.000 0.509 159 H N 5.063 123.629 119.070 -0.841 0.000 2.595 159 H HA 0.312 4.868 4.556 -0.000 0.000 0.313 159 H C -0.075 174.929 175.328 -0.540 0.000 1.023 159 H CA -0.180 55.491 56.048 -0.628 0.000 1.218 159 H CB 0.867 30.215 29.762 -0.690 0.000 1.403 159 H HN 0.699 nan 8.280 nan 0.000 0.477 160 R N 3.503 123.813 120.500 -0.317 0.000 2.254 160 R HA 0.326 4.666 4.340 -0.000 0.000 0.318 160 R C -1.165 175.030 176.300 -0.175 0.000 1.031 160 R CA -0.771 55.181 56.100 -0.245 0.000 0.905 160 R CB 0.409 30.591 30.300 -0.196 0.000 1.050 160 R HN 0.245 nan 8.270 nan 0.000 0.456 161 L N 5.967 127.090 121.223 -0.168 0.000 2.287 161 L HA 0.366 4.706 4.340 -0.000 0.000 0.287 161 L C -0.502 176.320 176.870 -0.081 0.000 1.022 161 L CA -0.280 54.493 54.840 -0.111 0.000 0.814 161 L CB 1.679 43.673 42.059 -0.109 0.000 1.217 161 L HN 0.559 nan 8.230 nan 0.000 0.420 162 L N 5.490 126.687 121.223 -0.044 0.000 2.268 162 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 162 L C -0.570 176.308 176.870 0.013 0.000 1.064 162 L CA -0.176 54.651 54.840 -0.023 0.000 0.824 162 L CB 0.322 42.372 42.059 -0.015 0.000 1.202 162 L HN 0.447 nan 8.230 nan 0.000 0.433 163 L N 2.903 124.122 121.223 -0.007 0.000 2.334 163 L HA 0.570 4.910 4.340 -0.000 0.000 0.276 163 L C -0.038 176.906 176.870 0.124 0.000 1.014 163 L CA -0.580 54.292 54.840 0.054 0.000 0.815 163 L CB 1.575 43.549 42.059 -0.142 0.000 1.268 163 L HN 0.522 nan 8.230 nan 0.000 0.428 168 V N 2.611 122.536 119.914 0.017 0.000 2.483 168 V HA 0.501 4.620 4.120 -0.000 0.000 0.297 168 V C -0.392 175.632 176.094 -0.115 0.000 1.027 168 V CA -0.431 61.781 62.300 -0.146 0.000 0.855 168 V CB 1.918 33.491 31.823 -0.418 0.000 0.995 168 V HN 0.090 nan 8.190 nan 0.000 0.424 169 T N 6.029 120.562 114.554 -0.036 0.000 2.807 169 T HA 0.658 5.008 4.350 -0.000 0.000 0.279 169 T C -0.834 173.885 174.700 0.031 0.000 0.993 169 T CA -0.343 61.775 62.100 0.028 0.000 0.970 169 T CB 1.661 70.600 68.868 0.120 0.000 0.950 169 T HN 0.446 nan 8.240 nan 0.000 0.441 170 L N 3.342 124.494 121.223 -0.119 0.000 2.319 170 L HA 0.553 4.893 4.340 -0.000 0.000 0.281 170 L C -1.290 175.422 176.870 -0.264 0.000 1.005 170 L CA -0.501 54.169 54.840 -0.283 0.000 0.828 170 L CB 1.130 42.813 42.059 -0.627 0.000 1.227 170 L HN 0.423 nan 8.230 nan 0.000 0.415 171 D N 6.144 126.384 120.400 -0.266 0.000 2.359 171 D HA 0.350 4.990 4.640 -0.000 0.000 0.230 171 D C -0.488 175.548 176.300 -0.440 0.000 1.118 171 D CA 0.332 54.130 54.000 -0.336 0.000 0.844 171 D CB 1.572 42.240 40.800 -0.219 0.000 1.059 171 D HN 0.475 nan 8.370 nan 0.000 0.493 172 L N 2.823 123.688 121.223 -0.596 0.000 2.262 172 L HA 0.343 4.683 4.340 -0.000 0.000 0.288 172 L C -0.556 175.842 176.870 -0.787 0.000 1.035 172 L CA -0.793 53.647 54.840 -0.667 0.000 0.820 172 L CB 0.784 42.337 42.059 -0.843 0.000 1.204 172 L HN 0.252 nan 8.230 nan 0.000 0.424 173 W N 4.054 124.999 121.300 -0.591 0.000 2.316 173 W HA 0.410 5.070 4.660 -0.000 0.000 0.308 173 W C -0.429 176.104 176.519 0.023 0.000 1.106 173 W CA -0.251 56.854 57.345 -0.399 0.000 1.262 173 W CB 0.784 29.981 29.460 -0.439 0.000 1.233 173 W HN 0.143 nan 8.180 nan 0.000 0.447 174 F N 2.802 122.830 119.950 0.131 0.000 2.420 174 F HA 0.771 5.298 4.527 0.000 0.000 0.342 174 F C 0.968 176.871 175.800 0.172 0.000 1.113 174 F CA -1.151 56.942 58.000 0.155 0.000 1.059 174 F CB 1.080 40.161 39.000 0.136 0.000 1.128 174 F HN 0.557 nan 8.300 nan 0.000 0.475 175 G N 2.603 111.601 108.800 0.330 0.000 2.280 175 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.277 175 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.277 175 G C -1.763 173.240 174.900 0.173 0.000 1.288 175 G CA -1.009 44.208 45.100 0.196 0.000 1.075 175 G HN 0.571 nan 8.290 nan 0.000 0.480 176 D N 0.185 120.654 120.400 0.115 0.000 2.274 176 D HA 0.401 5.041 4.640 -0.000 0.000 0.239 176 D C 1.585 177.897 176.300 0.019 0.000 1.104 176 D CA -0.378 53.663 54.000 0.067 0.000 0.840 176 D CB 1.500 42.318 40.800 0.030 0.000 1.100 176 D HN 0.436 nan 8.370 nan 0.000 0.477 177 I N 4.339 124.888 120.570 -0.034 0.000 2.286 177 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 177 I C 1.710 177.628 176.117 -0.332 0.000 1.115 177 I CA 0.773 61.903 61.300 -0.284 0.000 1.392 177 I CB 0.112 37.885 38.000 -0.377 0.000 1.065 177 I HN 0.416 nan 8.210 nan 0.000 0.418 178 N N 0.767 119.339 118.700 -0.212 0.000 2.104 178 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 178 N C 1.499 176.918 175.510 -0.152 0.000 1.024 178 N CA 1.473 54.409 53.050 -0.191 0.000 0.853 178 N CB -0.124 38.280 38.487 -0.137 0.000 1.008 178 N HN 0.486 nan 8.380 nan 0.000 0.424 179 E N 0.823 120.962 120.200 -0.102 0.000 2.216 179 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 179 E C 2.220 178.765 176.600 -0.091 0.000 0.988 179 E CA 0.196 56.552 56.400 -0.073 0.000 0.834 179 E CB -0.233 29.452 29.700 -0.025 0.000 0.772 179 E HN 0.406 nan 8.360 nan 0.000 0.479 180 L N 0.258 121.405 121.223 -0.127 0.000 2.068 180 L HA -0.011 4.329 4.340 -0.000 0.000 0.204 180 L C 2.501 179.183 176.870 -0.314 0.000 1.076 180 L CA 0.267 55.014 54.840 -0.155 0.000 0.753 180 L CB -0.322 41.735 42.059 -0.004 0.000 0.910 180 L HN 0.031 nan 8.230 nan 0.000 0.439 181 I N 0.508 120.821 120.570 -0.429 0.000 2.290 181 I HA -0.407 3.763 4.170 -0.000 0.000 0.253 181 I C 2.677 178.655 176.117 -0.232 0.000 1.112 181 I CA 1.813 62.872 61.300 -0.402 0.000 1.377 181 I CB -0.088 37.661 38.000 -0.417 0.000 1.060 181 I HN 0.365 nan 8.210 nan 0.000 0.428 182 S N -0.890 114.701 115.700 -0.181 0.000 2.419 182 S HA -0.295 4.175 4.470 -0.000 0.000 0.235 182 S C 1.945 176.481 174.600 -0.106 0.000 1.019 182 S CA 1.274 59.403 58.200 -0.119 0.000 0.982 182 S CB -0.596 62.551 63.200 -0.090 0.000 0.789 182 S HN 0.570 nan 8.310 nan 0.000 0.490 183 Q N 0.391 120.100 119.800 -0.151 0.000 2.291 183 Q HA 0.179 4.519 4.340 -0.000 0.000 0.205 183 Q C -0.036 175.894 176.000 -0.116 0.000 0.970 183 Q CA 0.636 56.363 55.803 -0.127 0.000 0.876 183 Q CB -0.453 28.163 28.738 -0.203 0.000 0.935 183 Q HN 0.482 nan 8.270 nan 0.000 0.455 184 L N 2.375 123.499 121.223 -0.165 0.000 2.384 184 L HA 0.108 4.447 4.340 -0.000 0.000 0.258 184 L C -0.166 176.680 176.870 -0.039 0.000 1.266 184 L CA -0.177 54.618 54.840 -0.074 0.000 1.162 184 L CB -0.592 41.434 42.059 -0.055 0.000 1.375 184 L HN 0.183 nan 8.230 nan 0.000 0.420 185 D N -0.967 119.420 120.400 -0.021 0.000 2.314 185 D HA -0.046 4.594 4.640 -0.000 0.000 0.252 185 D C 0.638 176.932 176.300 -0.010 0.000 1.295 185 D CA -0.363 53.627 54.000 -0.017 0.000 0.995 185 D CB 0.591 41.386 40.800 -0.009 0.000 1.125 185 D HN 0.178 nan 8.370 nan 0.000 0.537 186 D N -1.407 118.986 120.400 -0.012 0.000 2.384 186 D HA -0.122 4.518 4.640 -0.000 0.000 0.222 186 D C 1.790 178.084 176.300 -0.009 0.000 0.976 186 D CA 1.185 55.179 54.000 -0.011 0.000 0.915 186 D CB -0.447 40.345 40.800 -0.013 0.000 0.896 186 D HN 0.438 nan 8.370 nan 0.000 0.523 187 S N -0.213 115.483 115.700 -0.006 0.000 2.453 187 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 187 S C 1.537 176.132 174.600 -0.008 0.000 1.005 187 S CA 0.279 58.475 58.200 -0.007 0.000 0.949 187 S CB -0.106 63.092 63.200 -0.003 0.000 0.774 187 S HN 0.093 nan 8.310 nan 0.000 0.510 188 L N 1.848 123.069 121.223 -0.003 0.000 2.592 188 L HA 0.389 4.729 4.340 -0.000 0.000 0.227 188 L C -0.004 176.864 176.870 -0.003 0.000 1.127 188 L CA -0.094 54.744 54.840 -0.004 0.000 0.884 188 L CB -0.943 41.121 42.059 0.008 0.000 1.065 188 L HN 0.143 nan 8.230 nan 0.000 0.457 189 N N 1.331 120.030 118.700 -0.003 0.000 2.458 189 N HA 0.010 4.750 4.740 -0.000 0.000 0.258 189 N C 0.348 175.851 175.510 -0.013 0.000 1.219 189 N CA 0.254 53.304 53.050 0.000 0.000 0.902 189 N CB 0.121 38.604 38.487 -0.008 0.000 1.076 189 N HN 0.151 nan 8.380 nan 0.000 0.455 190 Q N -0.296 119.501 119.800 -0.005 0.000 2.481 190 Q HA -0.253 4.087 4.340 -0.000 0.000 0.272 190 Q C -0.238 175.728 176.000 -0.057 0.000 1.157 190 Q CA 0.840 56.629 55.803 -0.023 0.000 0.935 190 Q CB -1.004 27.716 28.738 -0.030 0.000 1.338 190 Q HN 0.626 nan 8.270 nan 0.000 0.494 191 K N -0.377 119.984 120.400 -0.063 0.000 2.402 191 K HA 0.211 4.531 4.320 -0.000 0.000 0.204 191 K C -0.044 176.454 176.600 -0.170 0.000 1.056 191 K CA 0.038 56.257 56.287 -0.114 0.000 1.069 191 K CB 1.504 33.950 32.500 -0.090 0.000 0.888 191 K HN -0.042 nan 8.250 nan 0.000 0.546 192 V N 3.129 122.943 119.914 -0.166 0.000 2.364 192 V HA 0.037 4.157 4.120 -0.000 0.000 0.272 192 V C 0.722 176.652 176.094 -0.273 0.000 1.036 192 V CA -0.111 62.006 62.300 -0.305 0.000 0.880 192 V CB 1.282 32.831 31.823 -0.457 0.000 0.991 192 V HN 0.161 nan 8.190 nan 0.000 0.460 193 D N 3.635 123.780 120.400 -0.425 0.000 2.162 193 D HA 0.102 4.742 4.640 -0.000 0.000 0.203 193 D C 0.714 176.898 176.300 -0.193 0.000 0.967 193 D CA 1.203 54.925 54.000 -0.464 0.000 0.840 193 D CB 0.626 40.665 40.800 -1.268 0.000 0.972 193 D HN 0.627 nan 8.370 nan 0.000 0.482 194 A N -0.130 122.594 122.820 -0.161 0.000 2.486 194 A HA 0.493 4.812 4.320 -0.000 0.000 0.300 194 A C -1.936 175.593 177.584 -0.092 0.000 1.048 194 A CA -0.670 51.412 52.037 0.075 0.000 0.696 194 A CB 1.136 20.339 19.000 0.338 0.000 1.278 194 A HN 0.068 nan 8.150 nan 0.000 0.405 195 W N 1.424 122.802 121.300 0.130 0.000 2.429 195 W HA 0.628 5.288 4.660 0.000 0.000 0.314 195 W C -0.904 175.853 176.519 0.398 0.000 1.062 195 W CA -0.308 57.105 57.345 0.114 0.000 1.211 195 W CB 1.414 30.901 29.460 0.045 0.000 1.305 195 W HN 0.476 nan 8.180 nan 0.000 0.476 196 F N 5.431 125.525 119.950 0.240 0.000 2.334 196 F HA 0.210 4.738 4.527 0.000 0.000 0.365 196 F C 0.159 176.072 175.800 0.188 0.000 1.124 196 F CA -1.591 56.491 58.000 0.136 0.000 1.166 196 F CB -0.021 38.823 39.000 -0.260 0.000 1.355 196 F HN -0.022 nan 8.300 nan 0.000 0.532 197 L N 4.490 125.998 121.223 0.474 0.000 2.404 197 L HA 0.299 4.639 4.340 -0.000 0.000 0.277 197 L C -0.319 176.776 176.870 0.374 0.000 1.184 197 L CA 0.437 55.434 54.840 0.262 0.000 1.013 197 L CB -0.901 41.234 42.059 0.125 0.000 1.318 197 L HN 0.482 nan 8.230 nan 0.000 0.435 198 D N 1.998 122.561 120.400 0.272 0.000 2.758 198 D HA 0.868 5.508 4.640 -0.000 0.000 0.279 198 D C 0.106 176.593 176.300 0.311 0.000 1.111 198 D CA 0.551 54.827 54.000 0.459 0.000 1.109 198 D CB 1.936 42.780 40.800 0.072 0.000 1.428 198 D HN 0.605 nan 8.370 nan 0.000 0.586 199 G N -0.965 107.994 108.800 0.264 0.000 2.337 199 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.197 199 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.197 199 G C -1.014 173.901 174.900 0.024 0.000 1.238 199 G CA -0.600 44.540 45.100 0.067 0.000 1.119 199 G HN 0.326 nan 8.290 nan 0.000 0.514 200 F N 2.045 122.097 119.950 0.170 0.000 2.382 200 F HA 0.630 5.157 4.527 -0.000 0.000 0.331 200 F C 1.428 177.526 175.800 0.497 0.000 1.121 200 F CA 0.555 58.633 58.000 0.129 0.000 1.183 200 F CB 1.183 40.062 39.000 -0.200 0.000 1.207 200 F HN 0.897 nan 8.300 nan 0.000 0.555 201 A N 3.781 126.932 122.820 0.552 0.000 2.555 201 A HA 0.111 4.431 4.320 -0.000 0.000 0.233 201 A C -1.627 176.067 177.584 0.182 0.000 1.060 201 A CA -0.849 51.444 52.037 0.428 0.000 0.759 201 A CB -0.448 18.712 19.000 0.268 0.000 0.995 201 A HN 0.630 nan 8.150 nan 0.000 0.506 202 P HA -0.222 nan 4.420 nan 0.000 0.217 202 P C 1.513 178.794 177.300 -0.033 0.000 1.151 202 P CA 2.488 65.270 63.100 -0.530 0.000 0.849 202 P CB 0.110 31.416 31.700 -0.656 0.000 0.787 203 A N -0.983 121.839 122.820 0.003 0.000 2.066 203 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 203 A C 2.038 179.677 177.584 0.091 0.000 1.157 203 A CA 1.322 53.389 52.037 0.051 0.000 0.670 203 A CB -0.601 18.424 19.000 0.041 0.000 0.804 203 A HN 0.099 nan 8.150 nan 0.000 0.453 204 K N -1.071 119.407 120.400 0.131 0.000 2.202 204 K HA 0.038 4.358 4.320 -0.000 0.000 0.201 204 K C 0.047 176.751 176.600 0.174 0.000 1.051 204 K CA 0.572 56.946 56.287 0.146 0.000 0.977 204 K CB 0.013 32.606 32.500 0.154 0.000 0.792 204 K HN 0.395 nan 8.250 nan 0.000 0.469 205 N N 1.283 120.093 118.700 0.185 0.000 2.791 205 N HA 0.131 4.871 4.740 -0.000 0.000 0.265 205 N C -2.222 173.508 175.510 0.367 0.000 1.580 205 N CA -1.899 51.246 53.050 0.157 0.000 0.809 205 N CB 1.094 39.413 38.487 -0.279 0.000 1.178 205 N HN -0.193 nan 8.380 nan 0.000 0.499 206 P HA -0.065 nan 4.420 nan 0.000 0.218 206 P C 0.425 177.900 177.300 0.291 0.000 1.149 206 P CA 0.975 64.252 63.100 0.296 0.000 0.817 206 P CB 0.568 32.347 31.700 0.132 0.000 0.785 207 D N -0.708 119.821 120.400 0.216 0.000 2.149 207 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 207 D C 1.980 178.335 176.300 0.092 0.000 0.990 207 D CA 0.958 55.043 54.000 0.141 0.000 0.839 207 D CB -0.730 40.160 40.800 0.149 0.000 0.948 207 D HN 0.129 nan 8.370 nan 0.000 0.460 208 M N -0.904 118.749 119.600 0.088 0.000 2.159 208 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 208 M C 0.127 176.288 176.300 -0.232 0.000 1.063 208 M CA 1.138 56.353 55.300 -0.142 0.000 1.110 208 M CB -0.052 32.358 32.600 -0.318 0.000 1.374 208 M HN 0.010 nan 8.290 nan 0.000 0.411 209 W N 2.097 123.410 121.300 0.022 0.000 1.518 209 W HA 0.176 4.836 4.660 0.000 0.000 0.426 209 W C 0.526 176.946 176.519 -0.164 0.000 0.675 209 W CA -0.413 56.966 57.345 0.057 0.000 1.936 209 W CB -0.766 28.918 29.460 0.374 0.000 1.749 209 W HN 0.130 nan 8.180 nan 0.000 0.247 210 T N -3.130 111.165 114.554 -0.432 0.000 2.952 210 T HA 0.207 4.557 4.350 -0.000 0.000 0.286 210 T C 0.957 175.173 174.700 -0.807 0.000 1.024 210 T CA -0.635 61.204 62.100 -0.435 0.000 1.029 210 T CB 2.046 70.755 68.868 -0.266 0.000 1.094 210 T HN 0.060 nan 8.240 nan 0.000 0.515 211 Q N 0.976 120.582 119.800 -0.323 0.000 2.124 211 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 211 Q C 2.094 177.988 176.000 -0.177 0.000 0.977 211 Q CA 2.183 57.904 55.803 -0.137 0.000 0.850 211 Q CB -0.877 27.880 28.738 0.031 0.000 0.901 211 Q HN 0.863 nan 8.270 nan 0.000 0.429 212 N N -0.688 117.894 118.700 -0.196 0.000 2.036 212 N HA -0.206 4.534 4.740 -0.000 0.000 0.195 212 N C 1.492 176.867 175.510 -0.225 0.000 1.037 212 N CA 1.650 54.597 53.050 -0.172 0.000 0.855 212 N CB -0.496 37.895 38.487 -0.160 0.000 1.033 212 N HN 0.322 nan 8.380 nan 0.000 0.423 213 L N -0.382 120.628 121.223 -0.355 0.000 1.989 213 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 213 L C 1.787 178.501 176.870 -0.260 0.000 1.071 213 L CA 1.697 56.303 54.840 -0.389 0.000 0.749 213 L CB -1.136 40.622 42.059 -0.502 0.000 0.890 213 L HN 0.142 nan 8.230 nan 0.000 0.431 214 F N 0.323 120.194 119.950 -0.131 0.000 2.126 214 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 214 F C 2.455 178.224 175.800 -0.051 0.000 1.096 214 F CA 1.260 59.208 58.000 -0.087 0.000 1.255 214 F CB -1.748 37.251 39.000 -0.001 0.000 0.997 214 F HN 0.253 nan 8.300 nan 0.000 0.479 215 N N 0.285 119.041 118.700 0.092 0.000 2.120 215 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 215 N C 2.070 177.565 175.510 -0.024 0.000 1.024 215 N CA 1.470 54.537 53.050 0.028 0.000 0.852 215 N CB -0.754 37.730 38.487 -0.005 0.000 1.003 215 N HN 0.275 nan 8.380 nan 0.000 0.424 216 A N 0.958 123.733 122.820 -0.075 0.000 1.898 216 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 216 A C 2.302 179.849 177.584 -0.060 0.000 1.181 216 A CA 1.069 53.057 52.037 -0.083 0.000 0.620 216 A CB -0.465 18.452 19.000 -0.139 0.000 0.819 216 A HN 0.177 nan 8.150 nan 0.000 0.442 217 M N -0.449 119.023 119.600 -0.213 0.000 2.082 217 M HA -0.230 4.250 4.480 -0.000 0.000 0.258 217 M C 2.527 178.885 176.300 0.098 0.000 1.069 217 M CA 1.678 56.720 55.300 -0.430 0.000 1.102 217 M CB -0.421 31.683 32.600 -0.826 0.000 1.336 217 M HN 0.503 nan 8.290 nan 0.000 0.404 218 A N 0.888 123.749 122.820 0.068 0.000 1.902 218 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 218 A C 2.079 179.581 177.584 -0.136 0.000 1.181 218 A CA 1.973 53.860 52.037 -0.251 0.000 0.623 218 A CB -0.754 18.037 19.000 -0.349 0.000 0.818 218 A HN 0.636 nan 8.150 nan 0.000 0.443 219 R N -0.194 120.283 120.500 -0.038 0.000 2.115 219 R HA 0.099 4.439 4.340 -0.000 0.000 0.226 219 R C 1.604 177.932 176.300 0.047 0.000 1.100 219 R CA 1.392 57.483 56.100 -0.017 0.000 0.980 219 R CB -0.589 29.700 30.300 -0.020 0.000 0.875 219 R HN 0.429 nan 8.270 nan 0.000 0.445 220 L N 1.436 122.749 121.223 0.151 0.000 2.217 220 L HA 0.123 4.463 4.340 -0.000 0.000 0.211 220 L C 1.270 178.264 176.870 0.208 0.000 1.107 220 L CA 0.228 55.195 54.840 0.211 0.000 0.783 220 L CB -0.455 41.835 42.059 0.384 0.000 0.919 220 L HN 0.225 nan 8.230 nan 0.000 0.442 221 A N 1.149 124.145 122.820 0.292 0.000 2.520 221 A HA 0.088 4.408 4.320 -0.000 0.000 0.245 221 A C 0.553 178.180 177.584 0.072 0.000 1.072 221 A CA -0.028 52.154 52.037 0.242 0.000 0.761 221 A CB -0.043 19.150 19.000 0.320 0.000 1.004 221 A HN 0.290 nan 8.150 nan 0.000 0.499 222 R N 2.740 123.256 120.500 0.027 0.000 2.543 222 R HA 0.226 4.566 4.340 -0.000 0.000 0.277 222 R C -2.504 173.807 176.300 0.018 0.000 1.074 222 R CA -1.380 54.712 56.100 -0.013 0.000 1.076 222 R CB 0.217 30.479 30.300 -0.064 0.000 0.993 222 R HN 0.400 nan 8.270 nan 0.000 0.459 223 P HA 0.009 nan 4.420 nan 0.000 0.264 223 P C 0.119 177.445 177.300 0.045 0.000 1.193 223 P CA 0.975 64.085 63.100 0.016 0.000 0.763 223 P CB 0.716 32.419 31.700 0.006 0.000 0.810 224 G N 1.936 110.772 108.800 0.060 0.000 2.179 224 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.260 224 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.260 224 G C 0.618 175.586 174.900 0.113 0.000 0.977 224 G CA -0.128 45.022 45.100 0.084 0.000 0.641 224 G HN 0.890 nan 8.290 nan 0.000 0.533 225 G N -0.310 108.562 108.800 0.119 0.000 2.539 225 G HA2 0.689 4.649 3.960 -0.000 0.000 0.258 225 G HA3 0.689 4.649 3.960 -0.000 0.000 0.258 225 G C 0.336 175.376 174.900 0.232 0.000 1.202 225 G CA 0.930 46.115 45.100 0.142 0.000 0.851 225 G HN 1.352 nan 8.290 nan 0.000 0.556 226 T N -1.922 112.775 114.554 0.239 0.000 2.930 226 T HA 0.705 5.055 4.350 -0.000 0.000 0.290 226 T C -0.591 174.262 174.700 0.256 0.000 1.052 226 T CA -0.852 61.390 62.100 0.236 0.000 1.017 226 T CB 1.905 70.878 68.868 0.175 0.000 1.137 226 T HN 0.669 nan 8.240 nan 0.000 0.511 227 L N 0.601 121.893 121.223 0.115 0.000 2.401 227 L HA 0.867 5.207 4.340 -0.000 0.000 0.266 227 L C -1.189 175.702 176.870 0.035 0.000 0.991 227 L CA -0.837 54.036 54.840 0.055 0.000 0.818 227 L CB 1.761 43.600 42.059 -0.367 0.000 1.321 227 L HN 1.140 nan 8.230 nan 0.000 0.413 228 A N 2.341 125.247 122.820 0.143 0.000 2.435 228 A HA 0.823 5.143 4.320 -0.000 0.000 0.304 228 A C -0.864 176.781 177.584 0.101 0.000 1.064 228 A CA -0.396 51.661 52.037 0.034 0.000 0.727 228 A CB 2.100 21.070 19.000 -0.049 0.000 1.284 228 A HN 0.654 nan 8.150 nan 0.000 0.415 229 T N -0.114 114.398 114.554 -0.070 0.000 2.883 229 T HA 0.519 4.869 4.350 -0.000 0.000 0.301 229 T C 0.402 174.977 174.700 -0.209 0.000 1.158 229 T CA -0.080 61.990 62.100 -0.051 0.000 1.007 229 T CB 0.656 69.485 68.868 -0.064 0.000 1.186 229 T HN 1.086 nan 8.240 nan 0.000 0.499 230 F N 1.142 121.056 119.950 -0.060 0.000 2.367 230 F HA 0.315 4.842 4.527 -0.000 0.000 0.298 230 F C 1.200 176.967 175.800 -0.054 0.000 1.094 230 F CA -0.025 57.923 58.000 -0.088 0.000 1.409 230 F CB -0.918 38.072 39.000 -0.018 0.000 1.064 230 F HN 0.477 nan 8.300 nan 0.000 0.528 231 T N 0.593 114.673 114.554 -0.791 0.000 2.904 231 T HA 0.360 4.710 4.350 -0.000 0.000 0.290 231 T C 0.820 175.311 174.700 -0.347 0.000 1.018 231 T CA 0.070 61.848 62.100 -0.537 0.000 1.075 231 T CB 0.825 69.181 68.868 -0.853 0.000 0.986 231 T HN 0.396 nan 8.240 nan 0.000 0.523 232 S N 2.009 117.553 115.700 -0.260 0.000 2.855 232 S HA 0.508 4.978 4.470 -0.000 0.000 0.249 232 S C 0.575 175.030 174.600 -0.240 0.000 1.033 232 S CA -0.230 57.832 58.200 -0.230 0.000 1.038 232 S CB -0.128 62.986 63.200 -0.142 0.000 0.960 232 S HN 1.002 nan 8.310 nan 0.000 0.548 233 A N 1.158 123.786 122.820 -0.321 0.000 2.591 233 A HA 0.440 4.760 4.320 -0.000 0.000 0.244 233 A C 1.617 179.009 177.584 -0.320 0.000 1.031 233 A CA 0.457 52.309 52.037 -0.309 0.000 0.767 233 A CB -0.523 18.183 19.000 -0.490 0.000 0.942 233 A HN 0.766 nan 8.150 nan 0.000 0.514 234 G N 2.238 110.957 108.800 -0.136 0.000 2.450 234 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 234 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 234 G C 1.123 175.980 174.900 -0.072 0.000 1.130 234 G CA 1.449 46.496 45.100 -0.087 0.000 0.760 234 G HN 1.165 nan 8.290 nan 0.000 0.557 235 F N 0.617 120.540 119.950 -0.044 0.000 2.407 235 F HA 0.143 4.670 4.527 -0.000 0.000 0.299 235 F C 2.133 177.934 175.800 0.001 0.000 1.097 235 F CA 0.548 58.549 58.000 0.003 0.000 1.422 235 F CB -0.550 38.474 39.000 0.040 0.000 1.067 235 F HN -0.015 nan 8.300 nan 0.000 0.539 236 V N 1.286 120.652 119.914 -0.914 0.000 2.379 236 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 236 V C 2.794 178.537 176.094 -0.586 0.000 1.044 236 V CA 2.049 63.848 62.300 -0.835 0.000 1.036 236 V CB -0.744 30.560 31.823 -0.865 0.000 0.664 236 V HN 0.420 nan 8.190 nan 0.000 0.453 237 R N 0.199 120.458 120.500 -0.402 0.000 2.073 237 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 237 R C 2.498 178.687 176.300 -0.185 0.000 1.134 237 R CA 1.616 57.553 56.100 -0.271 0.000 0.952 237 R CB -0.188 29.996 30.300 -0.192 0.000 0.850 237 R HN 0.390 nan 8.270 nan 0.000 0.433 238 R N -0.610 119.821 120.500 -0.115 0.000 2.115 238 R HA -0.040 4.300 4.340 -0.000 0.000 0.230 238 R C 2.322 178.618 176.300 -0.006 0.000 1.111 238 R CA 1.174 57.256 56.100 -0.030 0.000 0.976 238 R CB -0.337 29.980 30.300 0.029 0.000 0.870 238 R HN 0.415 nan 8.270 nan 0.000 0.445 239 G N 1.205 109.991 108.800 -0.023 0.000 2.404 239 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 239 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 239 G C 1.435 176.306 174.900 -0.049 0.000 1.174 239 G CA 0.362 45.515 45.100 0.089 0.000 0.780 239 G HN 0.117 nan 8.290 nan 0.000 0.537 240 L N -0.206 120.797 121.223 -0.366 0.000 2.083 240 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 240 L C 3.112 180.032 176.870 0.084 0.000 1.083 240 L CA 1.188 55.934 54.840 -0.155 0.000 0.752 240 L CB -0.421 41.429 42.059 -0.348 0.000 0.899 240 L HN 0.257 nan 8.230 nan 0.000 0.433 241 Q N -0.407 119.397 119.800 0.006 0.000 2.046 241 Q HA -0.252 4.088 4.340 -0.000 0.000 0.200 241 Q C 2.237 178.260 176.000 0.039 0.000 0.975 241 Q CA 1.689 57.512 55.803 0.033 0.000 0.836 241 Q CB -0.091 28.648 28.738 0.001 0.000 0.896 241 Q HN 0.437 nan 8.270 nan 0.000 0.428 242 E N 0.273 120.500 120.200 0.044 0.000 2.051 242 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 242 E C 1.877 178.507 176.600 0.050 0.000 0.991 242 E CA 1.020 57.450 56.400 0.050 0.000 0.799 242 E CB -0.099 29.645 29.700 0.073 0.000 0.748 242 E HN 0.349 nan 8.360 nan 0.000 0.449 243 A N -0.026 122.847 122.820 0.089 0.000 2.032 243 A HA -0.101 4.219 4.320 -0.000 0.000 0.221 243 A C 1.943 179.494 177.584 -0.055 0.000 1.165 243 A CA 2.068 54.145 52.037 0.066 0.000 0.645 243 A CB -0.556 18.556 19.000 0.186 0.000 0.807 243 A HN 0.591 nan 8.150 nan 0.000 0.453 244 G N -3.645 105.123 108.800 -0.053 0.000 2.227 244 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.168 244 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.168 244 G C 0.010 174.790 174.900 -0.201 0.000 1.006 244 G CA -0.198 44.812 45.100 -0.150 0.000 0.684 244 G HN 0.284 nan 8.290 nan 0.000 0.489 245 F N 2.282 122.214 119.950 -0.029 0.000 2.471 245 F HA 0.494 5.021 4.527 -0.000 0.000 0.353 245 F C 1.207 176.988 175.800 -0.032 0.000 1.113 245 F CA 0.438 58.422 58.000 -0.028 0.000 1.262 245 F CB 1.068 40.039 39.000 -0.048 0.000 1.146 245 F HN -0.116 nan 8.300 nan 0.000 0.578 246 T N 5.535 120.194 114.554 0.175 0.000 2.739 246 T HA 0.293 4.643 4.350 -0.000 0.000 0.298 246 T C 0.169 174.919 174.700 0.083 0.000 0.929 246 T CA -0.518 61.639 62.100 0.094 0.000 1.014 246 T CB -0.059 68.846 68.868 0.062 0.000 0.914 246 T HN 0.195 nan 8.240 nan 0.000 0.509 247 M N 3.972 123.595 119.600 0.039 0.000 2.367 247 M HA 0.405 4.885 4.480 -0.000 0.000 0.339 247 M C 0.123 176.408 176.300 -0.025 0.000 1.177 247 M CA -0.690 54.602 55.300 -0.012 0.000 1.068 247 M CB 1.469 34.037 32.600 -0.053 0.000 1.602 247 M HN 0.639 nan 8.290 nan 0.000 0.457 248 Q N 1.837 121.612 119.800 -0.042 0.000 2.416 248 Q HA 0.564 4.904 4.340 -0.000 0.000 0.281 248 Q C -1.345 174.619 176.000 -0.060 0.000 1.067 248 Q CA -1.049 54.728 55.803 -0.043 0.000 0.809 248 Q CB 2.585 31.306 28.738 -0.028 0.000 1.418 248 Q HN 0.718 nan 8.270 nan 0.000 0.411 249 K N 1.661 122.029 120.400 -0.054 0.000 2.168 249 K HA 0.506 4.826 4.320 -0.000 0.000 0.258 249 K C -0.695 175.881 176.600 -0.041 0.000 1.010 249 K CA -0.582 55.672 56.287 -0.054 0.000 0.929 249 K CB 1.448 33.919 32.500 -0.048 0.000 0.998 249 K HN 0.776 nan 8.250 nan 0.000 0.479 250 R N 0.993 121.473 120.500 -0.034 0.000 2.643 250 R HA 0.149 4.489 4.340 -0.000 0.000 0.269 250 R C -1.293 175.022 176.300 0.025 0.000 1.037 250 R CA -0.839 55.252 56.100 -0.014 0.000 0.894 250 R CB 1.882 32.153 30.300 -0.047 0.000 1.238 250 R HN 0.800 nan 8.270 nan 0.000 0.459 251 K N 1.630 122.066 120.400 0.060 0.000 2.485 251 K HA 0.084 4.404 4.320 -0.000 0.000 0.277 251 K C 0.076 176.769 176.600 0.155 0.000 0.990 251 K CA 0.646 56.978 56.287 0.075 0.000 0.994 251 K CB 0.466 33.002 32.500 0.061 0.000 0.906 251 K HN 0.751 nan 8.250 nan 0.000 0.488 252 G N 2.676 111.529 108.800 0.088 0.000 2.684 252 G HA2 0.033 3.993 3.960 -0.000 0.000 0.255 252 G HA3 0.033 3.993 3.960 -0.000 0.000 0.255 252 G C -0.701 174.203 174.900 0.008 0.000 1.219 252 G CA -0.656 44.517 45.100 0.121 0.000 0.901 252 G HN 0.614 nan 8.290 nan 0.000 0.548 253 F N 1.037 120.881 119.950 -0.178 0.000 2.529 253 F HA 0.428 4.955 4.527 -0.000 0.000 0.365 253 F C 1.264 176.882 175.800 -0.303 0.000 1.102 253 F CA 1.190 58.887 58.000 -0.505 0.000 1.271 253 F CB 0.396 39.212 39.000 -0.306 0.000 1.120 253 F HN 1.140 nan 8.300 nan 0.000 0.579 254 G N 6.293 114.395 108.800 -1.164 0.000 2.591 254 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.298 254 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.298 254 G C 1.044 175.734 174.900 -0.351 0.000 1.195 254 G CA 0.438 45.081 45.100 -0.763 0.000 0.989 254 G HN 0.763 nan 8.290 nan 0.000 0.551 255 R N 1.056 121.434 120.500 -0.203 0.000 2.307 255 R HA 0.082 4.422 4.340 -0.000 0.000 0.199 255 R C 0.732 176.989 176.300 -0.072 0.000 1.000 255 R CA 0.582 56.613 56.100 -0.115 0.000 1.023 255 R CB -0.068 30.189 30.300 -0.072 0.000 0.908 255 R HN 0.411 nan 8.270 nan 0.000 0.473 256 K N 1.034 121.400 120.400 -0.058 0.000 2.401 256 K HA 0.072 4.392 4.320 -0.000 0.000 0.278 256 K C 1.011 177.600 176.600 -0.018 0.000 1.018 256 K CA -0.060 56.221 56.287 -0.009 0.000 0.981 256 K CB 0.801 33.326 32.500 0.041 0.000 0.933 256 K HN 0.007 nan 8.250 nan 0.000 0.477 257 R N 1.645 122.140 120.500 -0.008 0.000 2.148 257 R HA -0.071 4.269 4.340 -0.000 0.000 0.223 257 R C 0.343 176.641 176.300 -0.004 0.000 1.088 257 R CA 1.030 57.122 56.100 -0.013 0.000 0.985 257 R CB 0.167 30.459 30.300 -0.014 0.000 0.880 257 R HN 0.674 nan 8.270 nan 0.000 0.451 258 E N 0.281 120.485 120.200 0.006 0.000 2.422 258 E HA 0.220 4.570 4.350 -0.000 0.000 0.289 258 E C -1.373 175.224 176.600 -0.004 0.000 0.985 258 E CA -0.363 56.034 56.400 -0.004 0.000 0.812 258 E CB 1.366 31.050 29.700 -0.026 0.000 1.226 258 E HN 0.038 nan 8.360 nan 0.000 0.419 259 M N 2.041 121.630 119.600 -0.017 0.000 2.744 259 M HA 0.647 5.127 4.480 -0.000 0.000 0.283 259 M C -1.720 174.522 176.300 -0.097 0.000 1.275 259 M CA -1.036 54.232 55.300 -0.053 0.000 0.796 259 M CB 1.802 34.390 32.600 -0.021 0.000 1.739 259 M HN 0.361 nan 8.290 nan 0.000 0.454 260 L N 1.391 122.529 121.223 -0.141 0.000 2.381 260 L HA 0.875 5.215 4.340 -0.000 0.000 0.268 260 L C -1.037 175.745 176.870 -0.146 0.000 0.997 260 L CA -0.657 54.093 54.840 -0.150 0.000 0.818 260 L CB 2.197 44.138 42.059 -0.196 0.000 1.310 260 L HN 1.099 nan 8.230 nan 0.000 0.416 261 C N 0.113 119.339 119.300 -0.123 0.000 3.291 261 C HA 1.054 5.514 4.460 -0.000 0.000 0.316 261 C C -0.006 174.933 174.990 -0.084 0.000 1.391 261 C CA -0.698 58.254 59.018 -0.110 0.000 1.394 261 C CB 1.098 28.781 27.740 -0.096 0.000 1.744 261 C HN 0.990 nan 8.230 nan 0.000 0.461 262 G N -0.471 108.292 108.800 -0.062 0.000 2.623 262 G HA2 0.719 4.679 3.960 -0.000 0.000 0.290 262 G HA3 0.719 4.679 3.960 -0.000 0.000 0.290 262 G C -2.064 172.904 174.900 0.113 0.000 1.437 262 G CA -0.524 44.579 45.100 0.004 0.000 0.798 262 G HN 1.272 nan 8.290 nan 0.000 0.488 263 V N 0.670 120.708 119.914 0.207 0.000 2.841 263 V HA 0.562 4.681 4.120 -0.000 0.000 0.310 263 V C -0.440 175.825 176.094 0.286 0.000 1.090 263 V CA -0.816 61.627 62.300 0.237 0.000 0.930 263 V CB 2.013 33.914 31.823 0.130 0.000 1.014 263 V HN 0.860 nan 8.190 nan 0.000 0.425 264 M N 3.859 123.608 119.600 0.248 0.000 2.156 264 M HA 0.475 4.955 4.480 -0.000 0.000 0.345 264 M C -0.100 176.215 176.300 0.024 0.000 1.398 264 M CA 0.505 55.827 55.300 0.036 0.000 1.148 264 M CB -1.320 31.255 32.600 -0.042 0.000 1.663 264 M HN 0.847 nan 8.290 nan 0.000 0.464 265 E N 0.000 120.199 120.200 -0.001 0.000 2.725 265 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 265 E CA 0.000 56.401 56.400 0.001 0.000 0.976 265 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 265 E HN 0.000 nan 8.360 nan 0.000 0.440