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 2p34_1_B DATA FIRST_RESID 1 DATA SEQUENCE ADTIVAVELD TYPNTDIGDP SYPHIGIDIK SVRSKKTAKW NMQNGKVGTA DATA SEQUENCE HIIYNSVGKR LSAVVSYPNG DSATVSYDVD LDNVLPEWVR VGLSASTGLY DATA SEQUENCE KETNTILSWS FTSKLKSNXX XETNALHFVF NQFSKDQKDL ILQGDATTGT DATA SEQUENCE DGNLELTRVS SNGSPQGSSV GRALFYAPVH IWESSAVVAS FDATFTFLIK DATA SEQUENCE SSDSHPADGI AFFISNIDSS IPSGSTGRLL GLFPDAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.585 177.584 0.002 0.000 1.274 1 A CA 0.000 52.043 52.037 0.009 0.000 0.836 1 A CB 0.000 19.020 19.000 0.033 0.000 0.831 2 D N 0.911 121.295 120.400 -0.027 0.000 2.362 2 D HA 0.428 5.057 4.640 -0.019 0.000 0.238 2 D C 0.080 176.374 176.300 -0.010 0.000 1.212 2 D CA 0.898 54.876 54.000 -0.037 0.000 0.902 2 D CB 0.570 41.311 40.800 -0.099 0.000 1.180 2 D HN 0.395 nan 8.370 nan 0.000 0.445 3 T N 1.489 116.048 114.554 0.008 0.000 2.771 3 T HA 0.473 4.811 4.350 -0.019 0.000 0.281 3 T C -0.137 174.575 174.700 0.021 0.000 0.982 3 T CA -0.583 61.545 62.100 0.046 0.000 0.978 3 T CB 0.648 69.562 68.868 0.077 0.000 0.930 3 T HN 0.102 nan 8.240 nan 0.000 0.447 4 I N 3.821 124.413 120.570 0.036 0.000 2.466 4 I HA 0.407 4.566 4.170 -0.019 0.000 0.289 4 I C -0.457 175.736 176.117 0.127 0.000 1.026 4 I CA -0.836 60.461 61.300 -0.005 0.000 1.078 4 I CB 1.873 39.661 38.000 -0.353 0.000 1.249 4 I HN 0.304 nan 8.210 nan 0.000 0.429 5 V N 5.407 125.381 119.914 0.100 0.000 2.417 5 V HA 0.837 4.945 4.120 -0.019 0.000 0.291 5 V C 0.212 176.381 176.094 0.124 0.000 1.024 5 V CA -0.360 62.022 62.300 0.137 0.000 0.861 5 V CB 1.637 33.526 31.823 0.110 0.000 0.985 5 V HN 0.908 nan 8.190 nan 0.000 0.436 6 A N 4.429 127.360 122.820 0.186 0.000 2.498 6 A HA 0.876 5.184 4.320 -0.019 0.000 0.298 6 A C -1.255 176.474 177.584 0.242 0.000 1.075 6 A CA -0.573 51.572 52.037 0.180 0.000 0.714 6 A CB 2.150 21.242 19.000 0.153 0.000 1.299 6 A HN 0.560 nan 8.150 nan 0.000 0.407 7 V N 2.498 122.594 119.914 0.304 0.000 2.347 7 V HA 0.356 4.464 4.120 -0.019 0.000 0.280 7 V C -0.030 176.184 176.094 0.200 0.000 1.021 7 V CA -0.321 62.147 62.300 0.280 0.000 0.847 7 V CB 1.029 33.069 31.823 0.361 0.000 0.990 7 V HN 0.962 nan 8.190 nan 0.000 0.444 8 E N 5.479 125.750 120.200 0.118 0.000 2.175 8 E HA 0.560 4.899 4.350 -0.019 0.000 0.278 8 E C -1.341 175.221 176.600 -0.064 0.000 0.969 8 E CA -0.951 55.478 56.400 0.049 0.000 0.796 8 E CB 1.703 31.443 29.700 0.066 0.000 1.104 8 E HN 0.333 nan 8.360 nan 0.000 0.395 9 L N 3.607 124.745 121.223 -0.140 0.000 2.314 9 L HA 0.230 4.559 4.340 -0.019 0.000 0.275 9 L C -0.503 176.351 176.870 -0.026 0.000 1.068 9 L CA -0.184 54.450 54.840 -0.345 0.000 0.894 9 L CB 0.467 42.175 42.059 -0.586 0.000 1.275 9 L HN 0.626 nan 8.230 nan 0.000 0.432 10 D N 0.955 121.323 120.400 -0.053 0.000 2.359 10 D HA 0.163 4.791 4.640 -0.019 0.000 0.230 10 D C 1.164 177.512 176.300 0.081 0.000 1.118 10 D CA -0.009 53.937 54.000 -0.090 0.000 0.844 10 D CB 1.403 41.913 40.800 -0.483 0.000 1.059 10 D HN 0.587 nan 8.370 nan 0.000 0.493 11 T N 1.103 115.786 114.554 0.215 0.000 3.054 11 T HA 0.009 4.348 4.350 -0.019 0.000 0.259 11 T C 0.732 175.555 174.700 0.206 0.000 1.092 11 T CA 0.271 62.499 62.100 0.213 0.000 1.121 11 T CB -0.103 68.886 68.868 0.201 0.000 0.912 11 T HN 0.383 nan 8.240 nan 0.000 0.489 12 Y N 2.782 123.139 120.300 0.096 0.000 2.345 12 Y HA 0.477 5.015 4.550 -0.019 0.000 0.331 12 Y C -3.033 172.951 175.900 0.139 0.000 0.959 12 Y CA -3.099 55.068 58.100 0.112 0.000 1.204 12 Y CB 1.831 40.367 38.460 0.126 0.000 1.135 12 Y HN -0.044 nan 8.280 nan 0.000 0.477 13 P HA 0.131 nan 4.420 nan 0.000 0.275 13 P C -1.314 175.832 177.300 -0.257 0.000 1.276 13 P CA 0.171 63.158 63.100 -0.189 0.000 0.782 13 P CB 0.309 31.871 31.700 -0.230 0.000 0.851 14 N N 1.238 119.938 118.700 -0.000 0.000 3.234 14 N HA 0.057 4.785 4.740 -0.019 0.000 0.272 14 N C 1.192 176.697 175.510 -0.009 0.000 1.254 14 N CA -0.192 52.895 53.050 0.062 0.000 1.087 14 N CB 0.041 38.624 38.487 0.159 0.000 1.356 14 N HN 0.343 nan 8.380 nan 0.000 0.511 15 T N -2.862 111.657 114.554 -0.058 0.000 2.977 15 T HA -0.139 4.200 4.350 -0.019 0.000 0.271 15 T C 1.033 175.705 174.700 -0.046 0.000 1.105 15 T CA 0.958 63.012 62.100 -0.078 0.000 1.116 15 T CB 0.044 68.859 68.868 -0.089 0.000 0.878 15 T HN 0.199 nan 8.240 nan 0.000 0.509 16 D N 1.710 122.100 120.400 -0.015 0.000 2.348 16 D HA 0.073 4.702 4.640 -0.019 0.000 0.216 16 D C 1.411 177.703 176.300 -0.014 0.000 0.970 16 D CA 0.711 54.706 54.000 -0.009 0.000 0.889 16 D CB 0.006 40.812 40.800 0.010 0.000 0.912 16 D HN 0.755 nan 8.370 nan 0.000 0.524 17 I N -4.648 115.912 120.570 -0.016 0.000 3.707 17 I HA 0.488 4.647 4.170 -0.019 0.000 0.330 17 I C 1.008 177.095 176.117 -0.051 0.000 1.572 17 I CA -0.404 60.880 61.300 -0.027 0.000 1.104 17 I CB 0.846 38.839 38.000 -0.012 0.000 1.240 17 I HN -0.097 nan 8.210 nan 0.000 0.475 18 G N 0.350 109.109 108.800 -0.067 0.000 2.176 18 G HA2 -0.250 3.699 3.960 -0.019 0.000 0.253 18 G HA3 -0.250 3.699 3.960 -0.019 0.000 0.253 18 G C -0.141 174.671 174.900 -0.146 0.000 0.979 18 G CA 0.133 45.175 45.100 -0.097 0.000 0.641 18 G HN 0.491 nan 8.290 nan 0.000 0.530 19 D N 2.166 122.482 120.400 -0.141 0.000 2.449 19 D HA 0.376 5.005 4.640 -0.019 0.000 0.236 19 D C -1.013 175.064 176.300 -0.372 0.000 1.149 19 D CA -0.575 53.268 54.000 -0.263 0.000 0.878 19 D CB 1.022 41.763 40.800 -0.098 0.000 1.198 19 D HN 0.264 nan 8.370 nan 0.000 0.446 20 P HA 0.037 nan 4.420 nan 0.000 0.275 20 P C -0.074 176.843 177.300 -0.638 0.000 1.270 20 P CA -0.261 62.430 63.100 -0.682 0.000 0.791 20 P CB 0.373 31.408 31.700 -1.108 0.000 1.089 21 S N -1.699 113.618 115.700 -0.638 0.000 2.602 21 S HA 0.275 4.733 4.470 -0.019 0.000 0.246 21 S C -0.243 174.245 174.600 -0.186 0.000 1.009 21 S CA -0.442 57.570 58.200 -0.313 0.000 1.052 21 S CB -1.405 61.706 63.200 -0.149 0.000 0.778 21 S HN 0.453 nan 8.310 nan 0.000 0.455 22 Y N -3.510 116.808 120.300 0.030 0.000 2.597 22 Y HA 0.781 5.320 4.550 -0.019 0.000 0.340 22 Y C -3.481 172.548 175.900 0.216 0.000 1.097 22 Y CA -3.551 54.592 58.100 0.070 0.000 1.037 22 Y CB -0.254 38.244 38.460 0.063 0.000 1.305 22 Y HN -0.155 nan 8.280 nan 0.000 0.463 23 P HA 0.117 nan 4.420 nan 0.000 0.266 23 P C -0.855 176.806 177.300 0.601 0.000 1.193 23 P CA 0.826 64.127 63.100 0.335 0.000 0.770 23 P CB 0.193 31.949 31.700 0.093 0.000 0.836 24 H N 1.228 120.616 119.070 0.530 0.000 3.046 24 H HA 0.462 5.006 4.556 -0.019 0.000 0.361 24 H C -0.692 174.847 175.328 0.351 0.000 1.235 24 H CA -1.155 55.182 56.048 0.482 0.000 1.146 24 H CB 0.641 30.610 29.762 0.344 0.000 1.859 24 H HN 0.288 nan 8.280 nan 0.000 0.548 25 I N 0.004 120.709 120.570 0.225 0.000 2.440 25 I HA 0.806 4.964 4.170 -0.019 0.000 0.294 25 I C 0.048 176.263 176.117 0.163 0.000 0.995 25 I CA -0.614 60.688 61.300 0.005 0.000 1.306 25 I CB 1.694 39.600 38.000 -0.156 0.000 1.407 25 I HN 0.708 nan 8.210 nan 0.000 0.501 26 G N 5.389 114.270 108.800 0.134 0.000 2.660 26 G HA2 0.670 4.619 3.960 -0.019 0.000 0.294 26 G HA3 0.670 4.619 3.960 -0.019 0.000 0.294 26 G C -1.275 173.696 174.900 0.119 0.000 1.369 26 G CA -0.874 44.321 45.100 0.159 0.000 0.912 26 G HN 0.637 nan 8.290 nan 0.000 0.479 27 I N 1.646 122.270 120.570 0.090 0.000 2.304 27 I HA 0.232 4.391 4.170 -0.019 0.000 0.291 27 I C -0.916 175.229 176.117 0.047 0.000 1.018 27 I CA -0.572 60.789 61.300 0.102 0.000 1.260 27 I CB 1.448 39.531 38.000 0.138 0.000 1.390 27 I HN 0.193 nan 8.210 nan 0.000 0.475 28 D N 8.061 128.529 120.400 0.114 0.000 2.256 28 D HA 0.446 5.075 4.640 -0.019 0.000 0.240 28 D C -0.354 176.046 176.300 0.166 0.000 1.062 28 D CA -0.145 53.920 54.000 0.108 0.000 0.832 28 D CB 2.140 43.054 40.800 0.190 0.000 1.135 28 D HN 0.150 nan 8.370 nan 0.000 0.484 29 I N 2.312 122.952 120.570 0.116 0.000 2.495 29 I HA 0.149 4.308 4.170 -0.019 0.000 0.277 29 I C 0.691 176.891 176.117 0.138 0.000 1.045 29 I CA -0.491 60.904 61.300 0.160 0.000 1.135 29 I CB 0.849 38.955 38.000 0.176 0.000 1.241 29 I HN 0.458 nan 8.210 nan 0.000 0.469 30 K N 1.492 122.038 120.400 0.244 0.000 3.274 30 K HA -0.188 4.121 4.320 -0.019 0.000 0.300 30 K C 0.179 176.838 176.600 0.098 0.000 1.230 30 K CA 0.957 57.407 56.287 0.272 0.000 0.884 30 K CB -0.689 31.908 32.500 0.162 0.000 1.242 30 K HN 0.631 nan 8.250 nan 0.000 0.467 31 S N -0.863 114.697 115.700 -0.234 0.000 2.537 31 S HA 0.327 4.785 4.470 -0.019 0.000 0.271 31 S C 0.236 174.127 174.600 -1.182 0.000 1.148 31 S CA -0.345 57.398 58.200 -0.761 0.000 0.868 31 S CB 2.283 65.285 63.200 -0.329 0.000 1.115 31 S HN 0.048 nan 8.310 nan 0.000 0.461 32 V N 3.855 122.928 119.914 -1.402 0.000 2.809 32 V HA 0.182 4.290 4.120 -0.019 0.000 0.256 32 V C 0.872 176.808 176.094 -0.263 0.000 1.080 32 V CA 1.229 63.130 62.300 -0.665 0.000 1.102 32 V CB -0.450 31.167 31.823 -0.343 0.000 0.705 32 V HN 0.711 nan 8.190 nan 0.000 0.475 33 R N 1.559 121.899 120.500 -0.266 0.000 2.291 33 R HA 0.239 4.567 4.340 -0.019 0.000 0.333 33 R C 0.355 176.571 176.300 -0.139 0.000 1.082 33 R CA -0.034 55.973 56.100 -0.154 0.000 0.948 33 R CB 0.484 30.697 30.300 -0.145 0.000 1.009 33 R HN 0.319 nan 8.270 nan 0.000 0.460 34 S N 2.941 118.590 115.700 -0.086 0.000 2.560 34 S HA 0.010 4.468 4.470 -0.019 0.000 0.284 34 S C 1.178 175.685 174.600 -0.154 0.000 1.327 34 S CA -0.430 57.723 58.200 -0.078 0.000 1.055 34 S CB 0.844 64.046 63.200 0.003 0.000 0.868 34 S HN 0.420 nan 8.310 nan 0.000 0.506 35 K N 1.411 121.656 120.400 -0.258 0.000 2.097 35 K HA 0.090 4.398 4.320 -0.019 0.000 0.206 35 K C 0.507 176.864 176.600 -0.405 0.000 1.049 35 K CA 1.275 57.272 56.287 -0.483 0.000 0.933 35 K CB -0.129 31.705 32.500 -1.111 0.000 0.717 35 K HN 0.437 nan 8.250 nan 0.000 0.442 36 K N -0.361 119.884 120.400 -0.259 0.000 2.527 36 K HA 0.260 4.568 4.320 -0.019 0.000 0.260 36 K C -1.432 175.171 176.600 0.006 0.000 0.937 36 K CA -0.381 55.852 56.287 -0.091 0.000 0.826 36 K CB 1.867 34.353 32.500 -0.022 0.000 1.359 36 K HN 0.047 nan 8.250 nan 0.000 0.434 37 T N -0.602 113.987 114.554 0.058 0.000 2.896 37 T HA 0.909 5.248 4.350 -0.019 0.000 0.297 37 T C -1.129 173.677 174.700 0.177 0.000 1.108 37 T CA -0.964 61.220 62.100 0.140 0.000 1.004 37 T CB 1.805 70.729 68.868 0.094 0.000 1.159 37 T HN 0.570 nan 8.240 nan 0.000 0.499 38 A N 1.296 124.259 122.820 0.238 0.000 2.414 38 A HA 0.763 5.072 4.320 -0.019 0.000 0.306 38 A C -0.263 177.526 177.584 0.341 0.000 1.054 38 A CA -1.073 51.103 52.037 0.231 0.000 0.724 38 A CB 1.468 20.562 19.000 0.157 0.000 1.267 38 A HN 1.078 nan 8.150 nan 0.000 0.418 39 K N 0.836 121.373 120.400 0.228 0.000 2.448 39 K HA 0.175 4.483 4.320 -0.019 0.000 0.278 39 K C -1.088 175.683 176.600 0.284 0.000 1.009 39 K CA 0.331 56.681 56.287 0.105 0.000 0.995 39 K CB 0.377 32.541 32.500 -0.561 0.000 0.917 39 K HN 0.650 nan 8.250 nan 0.000 0.481 40 W N 5.454 126.843 121.300 0.149 0.000 2.715 40 W HA 0.255 4.904 4.660 -0.019 0.000 0.331 40 W C -1.343 175.257 176.519 0.136 0.000 1.031 40 W CA -1.190 56.244 57.345 0.147 0.000 1.237 40 W CB 0.748 30.312 29.460 0.173 0.000 1.378 40 W HN 0.641 nan 8.180 nan 0.000 0.454 41 N N 7.298 125.972 118.700 -0.043 0.000 2.555 41 N HA 0.053 4.781 4.740 -0.019 0.000 0.244 41 N C 0.151 175.291 175.510 -0.618 0.000 1.114 41 N CA -0.285 52.601 53.050 -0.274 0.000 0.963 41 N CB 0.308 38.732 38.487 -0.105 0.000 1.276 41 N HN 0.418 nan 8.380 nan 0.000 0.510 42 M N 2.952 121.912 119.600 -1.068 0.000 2.269 42 M HA -0.008 4.461 4.480 -0.019 0.000 0.350 42 M C -0.617 175.360 176.300 -0.539 0.000 1.429 42 M CA 0.740 55.430 55.300 -1.017 0.000 1.063 42 M CB 0.376 32.335 32.600 -1.069 0.000 1.841 42 M HN 0.502 nan 8.290 nan 0.000 0.455 43 Q N 4.532 123.911 119.800 -0.703 0.000 2.430 43 Q HA 0.248 4.577 4.340 -0.019 0.000 0.245 43 Q C -0.257 175.520 176.000 -0.373 0.000 1.021 43 Q CA -0.326 55.049 55.803 -0.713 0.000 0.867 43 Q CB 0.740 28.782 28.738 -1.161 0.000 1.210 43 Q HN 0.623 nan 8.270 nan 0.000 0.487 44 N N 1.288 119.863 118.700 -0.209 0.000 2.447 44 N HA -0.020 4.708 4.740 -0.019 0.000 0.263 44 N C 0.761 176.244 175.510 -0.045 0.000 1.226 44 N CA 1.182 54.182 53.050 -0.082 0.000 0.906 44 N CB 0.445 38.886 38.487 -0.076 0.000 1.060 44 N HN 0.913 nan 8.380 nan 0.000 0.468 45 G N 2.301 111.118 108.800 0.028 0.000 2.184 45 G HA2 -0.241 3.707 3.960 -0.019 0.000 0.264 45 G HA3 -0.241 3.707 3.960 -0.019 0.000 0.264 45 G C -0.149 174.781 174.900 0.050 0.000 0.975 45 G CA 0.268 45.393 45.100 0.042 0.000 0.642 45 G HN 0.571 nan 8.290 nan 0.000 0.536 46 K N 0.200 120.629 120.400 0.048 0.000 2.098 46 K HA 0.601 4.910 4.320 -0.019 0.000 0.261 46 K C 0.297 177.041 176.600 0.239 0.000 0.987 46 K CA -0.776 55.572 56.287 0.101 0.000 0.916 46 K CB 2.120 34.607 32.500 -0.022 0.000 1.039 46 K HN 0.061 nan 8.250 nan 0.000 0.455 47 V N 2.122 122.122 119.914 0.144 0.000 2.427 47 V HA 0.223 4.332 4.120 -0.019 0.000 0.268 47 V C 0.810 176.762 176.094 -0.236 0.000 1.046 47 V CA -0.265 62.012 62.300 -0.038 0.000 0.970 47 V CB 0.739 32.546 31.823 -0.026 0.000 1.001 47 V HN 0.839 nan 8.190 nan 0.000 0.476 48 G N 3.544 111.782 108.800 -0.937 0.000 2.461 48 G HA2 0.609 4.558 3.960 -0.019 0.000 0.329 48 G HA3 0.609 4.558 3.960 -0.019 0.000 0.329 48 G C -0.473 173.689 174.900 -1.231 0.000 1.170 48 G CA -0.378 43.776 45.100 -1.578 0.000 0.935 48 G HN 0.563 nan 8.290 nan 0.000 0.492 49 T N 0.283 114.444 114.554 -0.655 0.000 2.812 49 T HA 0.624 4.963 4.350 -0.019 0.000 0.282 49 T C -0.040 174.482 174.700 -0.298 0.000 0.990 49 T CA -0.119 61.749 62.100 -0.386 0.000 0.960 49 T CB 1.584 70.277 68.868 -0.292 0.000 0.948 49 T HN 0.849 nan 8.240 nan 0.000 0.438 50 A N 3.297 125.828 122.820 -0.481 0.000 2.304 50 A HA 0.718 5.027 4.320 -0.019 0.000 0.323 50 A C -0.901 176.327 177.584 -0.593 0.000 1.195 50 A CA -0.601 51.072 52.037 -0.606 0.000 0.826 50 A CB 0.222 18.560 19.000 -1.103 0.000 1.184 50 A HN 0.965 nan 8.150 nan 0.000 0.496 51 H N 0.718 119.689 119.070 -0.166 0.000 2.529 51 H HA 0.634 5.180 4.556 -0.018 0.000 0.348 51 H C -1.123 174.176 175.328 -0.048 0.000 1.079 51 H CA -0.239 55.756 56.048 -0.088 0.000 1.198 51 H CB 1.627 31.349 29.762 -0.068 0.000 1.521 51 H HN 0.539 nan 8.280 nan 0.000 0.514 52 I N 4.020 124.648 120.570 0.097 0.000 2.466 52 I HA 0.357 4.516 4.170 -0.019 0.000 0.289 52 I C -0.889 175.272 176.117 0.072 0.000 1.026 52 I CA -0.201 61.167 61.300 0.113 0.000 1.078 52 I CB 1.555 39.646 38.000 0.152 0.000 1.249 52 I HN 0.435 nan 8.210 nan 0.000 0.429 53 I N 6.527 127.118 120.570 0.035 0.000 2.499 53 I HA 0.427 4.585 4.170 -0.019 0.000 0.288 53 I C -1.416 174.612 176.117 -0.149 0.000 1.048 53 I CA -0.700 60.546 61.300 -0.090 0.000 1.062 53 I CB 1.879 39.831 38.000 -0.081 0.000 1.238 53 I HN 0.428 nan 8.210 nan 0.000 0.426 54 Y N 6.347 126.264 120.300 -0.638 0.000 2.470 54 Y HA 0.602 5.141 4.550 -0.018 0.000 0.341 54 Y C -1.217 174.392 175.900 -0.485 0.000 1.021 54 Y CA -0.850 56.867 58.100 -0.638 0.000 1.025 54 Y CB 1.676 39.458 38.460 -1.129 0.000 1.266 54 Y HN 0.752 nan 8.280 nan 0.000 0.448 55 N N 0.268 118.412 118.700 -0.926 0.000 2.321 55 N HA 0.331 5.060 4.740 -0.019 0.000 0.290 55 N C -0.435 174.543 175.510 -0.887 0.000 1.212 55 N CA -0.328 52.305 53.050 -0.696 0.000 0.767 55 N CB 1.812 40.081 38.487 -0.364 0.000 1.494 55 N HN 0.387 nan 8.380 nan 0.000 0.479 56 S N -0.620 114.834 115.700 -0.409 0.000 2.607 56 S HA 0.002 4.460 4.470 -0.019 0.000 0.224 56 S C 0.979 175.467 174.600 -0.187 0.000 0.969 56 S CA 0.236 58.303 58.200 -0.222 0.000 0.927 56 S CB -0.577 62.623 63.200 0.001 0.000 0.772 56 S HN 0.387 nan 8.310 nan 0.000 0.533 57 V N 1.603 121.386 119.914 -0.218 0.000 2.326 57 V HA 0.191 4.300 4.120 -0.019 0.000 0.238 57 V C 2.817 178.812 176.094 -0.165 0.000 1.038 57 V CA 1.557 63.765 62.300 -0.153 0.000 1.032 57 V CB -1.446 30.300 31.823 -0.129 0.000 0.675 57 V HN 0.578 nan 8.190 nan 0.000 0.467 58 G N -1.105 107.569 108.800 -0.210 0.000 2.448 58 G HA2 -0.145 3.803 3.960 -0.019 0.000 0.218 58 G HA3 -0.145 3.803 3.960 -0.019 0.000 0.218 58 G C 0.848 175.628 174.900 -0.199 0.000 1.135 58 G CA 0.456 45.447 45.100 -0.181 0.000 0.784 58 G HN 0.539 nan 8.290 nan 0.000 0.543 59 K N -0.743 119.453 120.400 -0.341 0.000 3.077 59 K HA -0.218 4.091 4.320 -0.019 0.000 0.264 59 K C 0.277 176.856 176.600 -0.036 0.000 1.008 59 K CA 0.545 56.677 56.287 -0.259 0.000 0.740 59 K CB -0.878 31.603 32.500 -0.031 0.000 1.273 59 K HN 0.488 nan 8.250 nan 0.000 0.477 60 R N 1.518 121.940 120.500 -0.129 0.000 2.360 60 R HA 0.264 4.593 4.340 -0.019 0.000 0.318 60 R C -0.984 175.422 176.300 0.178 0.000 0.950 60 R CA -0.843 55.278 56.100 0.035 0.000 0.837 60 R CB 0.757 31.041 30.300 -0.026 0.000 1.165 60 R HN 0.104 nan 8.270 nan 0.000 0.458 61 L N 3.859 125.286 121.223 0.341 0.000 2.283 61 L HA 0.349 4.677 4.340 -0.019 0.000 0.287 61 L C -1.095 175.912 176.870 0.229 0.000 1.073 61 L CA 0.517 55.575 54.840 0.363 0.000 0.822 61 L CB 1.245 43.515 42.059 0.352 0.000 1.186 61 L HN 0.552 nan 8.230 nan 0.000 0.436 62 S N 3.811 119.605 115.700 0.157 0.000 2.537 62 S HA 0.956 5.414 4.470 -0.019 0.000 0.301 62 S C -0.516 174.155 174.600 0.118 0.000 1.092 62 S CA -0.414 57.854 58.200 0.114 0.000 1.048 62 S CB 1.766 64.998 63.200 0.053 0.000 1.053 62 S HN 0.906 nan 8.310 nan 0.000 0.501 63 A N 1.762 124.644 122.820 0.103 0.000 2.515 63 A HA 0.824 5.132 4.320 -0.019 0.000 0.298 63 A C -1.172 176.439 177.584 0.046 0.000 1.059 63 A CA -0.750 51.338 52.037 0.084 0.000 0.698 63 A CB 1.198 20.255 19.000 0.096 0.000 1.289 63 A HN 0.709 nan 8.150 nan 0.000 0.404 64 V N 0.226 120.162 119.914 0.037 0.000 2.735 64 V HA 0.779 4.888 4.120 -0.019 0.000 0.310 64 V C -0.555 175.523 176.094 -0.027 0.000 1.061 64 V CA -0.810 61.508 62.300 0.029 0.000 0.913 64 V CB 1.545 33.414 31.823 0.078 0.000 1.005 64 V HN 0.713 nan 8.190 nan 0.000 0.428 65 V N 2.934 122.808 119.914 -0.066 0.000 2.531 65 V HA 0.802 4.911 4.120 -0.019 0.000 0.301 65 V C -0.031 176.076 176.094 0.021 0.000 1.034 65 V CA -0.119 62.108 62.300 -0.122 0.000 0.865 65 V CB 1.805 33.374 31.823 -0.423 0.000 0.995 65 V HN 1.168 nan 8.190 nan 0.000 0.424 66 S N 4.197 119.879 115.700 -0.031 0.000 2.569 66 S HA 0.855 5.313 4.470 -0.019 0.000 0.280 66 S C -1.509 173.007 174.600 -0.140 0.000 1.111 66 S CA -0.697 57.524 58.200 0.035 0.000 0.887 66 S CB 1.989 65.231 63.200 0.069 0.000 1.095 66 S HN 0.407 nan 8.310 nan 0.000 0.476 67 Y N 0.583 120.944 120.300 0.101 0.000 2.562 67 Y HA 0.522 5.061 4.550 -0.019 0.000 0.343 67 Y C -1.932 173.986 175.900 0.031 0.000 1.025 67 Y CA -2.204 55.924 58.100 0.047 0.000 1.082 67 Y CB 1.845 40.346 38.460 0.067 0.000 1.264 67 Y HN 0.456 nan 8.280 nan 0.000 0.478 68 P HA -0.089 nan 4.420 nan 0.000 0.234 68 P C 0.609 177.964 177.300 0.093 0.000 1.167 68 P CA 1.082 64.243 63.100 0.102 0.000 0.763 68 P CB 0.151 31.896 31.700 0.075 0.000 0.835 69 N N -0.143 118.624 118.700 0.111 0.000 2.512 69 N HA -0.038 4.690 4.740 -0.019 0.000 0.183 69 N C 1.385 176.940 175.510 0.076 0.000 1.073 69 N CA 1.342 54.436 53.050 0.073 0.000 0.911 69 N CB -1.115 37.399 38.487 0.046 0.000 0.964 69 N HN 0.202 nan 8.380 nan 0.000 0.447 70 G N -0.578 108.284 108.800 0.103 0.000 2.176 70 G HA2 -0.238 3.711 3.960 -0.019 0.000 0.232 70 G HA3 -0.238 3.711 3.960 -0.019 0.000 0.232 70 G C -0.794 174.170 174.900 0.107 0.000 0.986 70 G CA 0.060 45.214 45.100 0.090 0.000 0.643 70 G HN 0.465 nan 8.290 nan 0.000 0.522 71 D N 1.414 121.897 120.400 0.138 0.000 2.458 71 D HA 0.505 5.134 4.640 -0.019 0.000 0.243 71 D C 0.709 177.141 176.300 0.220 0.000 1.146 71 D CA 1.332 55.430 54.000 0.162 0.000 0.877 71 D CB 1.268 42.168 40.800 0.168 0.000 1.176 71 D HN 0.774 nan 8.370 nan 0.000 0.461 72 S N -0.124 115.691 115.700 0.190 0.000 2.556 72 S HA 0.840 5.299 4.470 -0.019 0.000 0.271 72 S C -1.091 173.626 174.600 0.195 0.000 1.135 72 S CA -1.132 57.188 58.200 0.200 0.000 0.858 72 S CB 1.959 65.234 63.200 0.125 0.000 1.114 72 S HN 0.481 nan 8.310 nan 0.000 0.468 73 A N 1.162 124.103 122.820 0.202 0.000 2.365 73 A HA 0.919 5.228 4.320 -0.019 0.000 0.318 73 A C -0.055 177.577 177.584 0.080 0.000 1.091 73 A CA -0.510 51.625 52.037 0.163 0.000 0.763 73 A CB 1.510 20.663 19.000 0.256 0.000 1.248 73 A HN 1.565 nan 8.150 nan 0.000 0.442 74 T N -0.595 114.006 114.554 0.077 0.000 2.893 74 T HA 0.661 4.999 4.350 -0.019 0.000 0.293 74 T C -1.391 173.353 174.700 0.074 0.000 1.027 74 T CA -0.600 61.536 62.100 0.059 0.000 0.988 74 T CB 1.380 70.279 68.868 0.051 0.000 1.043 74 T HN 1.620 nan 8.240 nan 0.000 0.461 75 V N 2.598 122.558 119.914 0.077 0.000 2.841 75 V HA 0.830 4.938 4.120 -0.019 0.000 0.310 75 V C -1.032 175.132 176.094 0.118 0.000 1.090 75 V CA -0.284 62.077 62.300 0.101 0.000 0.930 75 V CB 2.468 34.356 31.823 0.108 0.000 1.014 75 V HN 1.180 nan 8.190 nan 0.000 0.425 76 S N 4.800 120.583 115.700 0.139 0.000 2.541 76 S HA 0.745 5.204 4.470 -0.019 0.000 0.280 76 S C -1.995 172.759 174.600 0.257 0.000 1.112 76 S CA -0.415 57.885 58.200 0.167 0.000 0.925 76 S CB 1.782 65.048 63.200 0.110 0.000 1.067 76 S HN 0.804 nan 8.310 nan 0.000 0.479 77 Y N 1.770 122.130 120.300 0.100 0.000 2.330 77 Y HA 0.331 4.869 4.550 -0.019 0.000 0.324 77 Y C -1.466 174.504 175.900 0.116 0.000 1.093 77 Y CA -1.135 57.023 58.100 0.097 0.000 1.103 77 Y CB 0.860 39.381 38.460 0.101 0.000 1.183 77 Y HN 0.535 nan 8.280 nan 0.000 0.433 78 D N 4.755 124.996 120.400 -0.264 0.000 2.434 78 D HA 0.344 4.973 4.640 -0.019 0.000 0.252 78 D C -0.815 175.168 176.300 -0.528 0.000 1.185 78 D CA 0.871 54.702 54.000 -0.282 0.000 0.886 78 D CB 1.426 42.102 40.800 -0.206 0.000 1.148 78 D HN 0.347 nan 8.370 nan 0.000 0.483 79 V N 2.550 122.372 119.914 -0.154 0.000 2.924 79 V HA 0.148 4.257 4.120 -0.019 0.000 0.300 79 V C -1.665 174.501 176.094 0.120 0.000 1.227 79 V CA -0.912 61.344 62.300 -0.073 0.000 0.954 79 V CB 2.510 34.351 31.823 0.029 0.000 1.055 79 V HN 0.372 nan 8.190 nan 0.000 0.429 80 D N 5.650 126.095 120.400 0.074 0.000 2.411 80 D HA 0.223 4.851 4.640 -0.019 0.000 0.225 80 D C 0.730 177.082 176.300 0.087 0.000 1.156 80 D CA -0.260 53.806 54.000 0.111 0.000 0.874 80 D CB 1.555 42.371 40.800 0.027 0.000 1.034 80 D HN 0.403 nan 8.370 nan 0.000 0.502 81 L N 3.408 124.706 121.223 0.125 0.000 2.376 81 L HA -0.034 4.295 4.340 -0.019 0.000 0.219 81 L C 1.559 178.464 176.870 0.059 0.000 1.133 81 L CA 0.833 55.702 54.840 0.048 0.000 0.816 81 L CB -0.598 41.394 42.059 -0.112 0.000 0.933 81 L HN 0.348 nan 8.230 nan 0.000 0.449 82 D N -0.206 120.145 120.400 -0.082 0.000 2.182 82 D HA -0.167 4.461 4.640 -0.019 0.000 0.201 82 D C 1.550 177.596 176.300 -0.424 0.000 0.986 82 D CA 0.974 54.632 54.000 -0.570 0.000 0.847 82 D CB -0.019 40.453 40.800 -0.546 0.000 0.942 82 D HN 0.275 nan 8.370 nan 0.000 0.467 83 N N -0.668 117.938 118.700 -0.157 0.000 2.336 83 N HA 0.020 4.748 4.740 -0.019 0.000 0.189 83 N C 1.291 176.814 175.510 0.022 0.000 1.113 83 N CA 0.092 53.097 53.050 -0.075 0.000 0.858 83 N CB 1.060 39.520 38.487 -0.045 0.000 0.970 83 N HN 0.109 nan 8.380 nan 0.000 0.471 84 V N -0.191 119.763 119.914 0.068 0.000 2.854 84 V HA 0.250 4.358 4.120 -0.019 0.000 0.236 84 V C 0.838 177.035 176.094 0.173 0.000 1.157 84 V CA 0.281 62.650 62.300 0.114 0.000 1.187 84 V CB 0.477 32.366 31.823 0.110 0.000 0.949 84 V HN 0.008 nan 8.190 nan 0.000 0.488 85 L N 2.539 123.912 121.223 0.249 0.000 2.357 85 L HA 0.399 4.727 4.340 -0.019 0.000 0.273 85 L C -2.156 174.982 176.870 0.448 0.000 1.080 85 L CA -1.765 53.249 54.840 0.292 0.000 0.803 85 L CB 1.081 43.300 42.059 0.267 0.000 1.174 85 L HN 0.122 nan 8.230 nan 0.000 0.443 86 P HA -0.058 nan 4.420 nan 0.000 0.269 86 P C 0.168 177.427 177.300 -0.068 0.000 1.217 86 P CA -0.053 63.165 63.100 0.196 0.000 0.783 86 P CB 0.724 32.488 31.700 0.108 0.000 0.898 87 E N 0.558 120.464 120.200 -0.490 0.000 2.118 87 E HA -0.152 4.187 4.350 -0.019 0.000 0.195 87 E C -0.305 175.883 176.600 -0.687 0.000 0.992 87 E CA 1.053 56.622 56.400 -1.385 0.000 0.804 87 E CB 0.061 29.036 29.700 -1.208 0.000 0.741 87 E HN 0.438 nan 8.360 nan 0.000 0.458 88 W N 0.034 121.151 121.300 -0.304 0.000 2.632 88 W HA 0.389 5.038 4.660 -0.019 0.000 0.328 88 W C -0.561 175.886 176.519 -0.120 0.000 1.044 88 W CA -0.842 56.392 57.345 -0.184 0.000 1.225 88 W CB 1.653 30.984 29.460 -0.214 0.000 1.396 88 W HN -0.200 nan 8.180 nan 0.000 0.499 89 V N 0.020 120.047 119.914 0.188 0.000 3.182 89 V HA 0.680 4.789 4.120 -0.019 0.000 0.308 89 V C -0.722 175.401 176.094 0.049 0.000 1.240 89 V CA -1.776 60.564 62.300 0.067 0.000 1.063 89 V CB 2.053 33.868 31.823 -0.013 0.000 1.076 89 V HN 0.573 nan 8.190 nan 0.000 0.446 90 R N 0.209 120.689 120.500 -0.033 0.000 2.787 90 R HA 0.849 5.177 4.340 -0.019 0.000 0.271 90 R C -0.989 175.169 176.300 -0.237 0.000 0.993 90 R CA -0.560 55.491 56.100 -0.083 0.000 0.993 90 R CB 2.226 32.476 30.300 -0.083 0.000 1.155 90 R HN 1.008 nan 8.270 nan 0.000 0.486 91 V N -1.395 118.366 119.914 -0.256 0.000 2.667 91 V HA 0.995 5.103 4.120 -0.019 0.000 0.308 91 V C -0.066 175.825 176.094 -0.339 0.000 1.048 91 V CA -0.392 61.654 62.300 -0.422 0.000 0.928 91 V CB 1.641 33.198 31.823 -0.445 0.000 1.004 91 V HN 0.911 nan 8.190 nan 0.000 0.444 92 G N 2.538 110.805 108.800 -0.888 0.000 2.600 92 G HA2 0.649 4.598 3.960 -0.019 0.000 0.293 92 G HA3 0.649 4.598 3.960 -0.019 0.000 0.293 92 G C -1.871 172.532 174.900 -0.827 0.000 1.408 92 G CA -1.039 43.553 45.100 -0.846 0.000 0.782 92 G HN 0.897 nan 8.290 nan 0.000 0.482 93 L N 0.510 121.385 121.223 -0.580 0.000 2.362 93 L HA 0.792 5.120 4.340 -0.019 0.000 0.271 93 L C 0.013 176.828 176.870 -0.091 0.000 1.002 93 L CA -0.877 53.678 54.840 -0.476 0.000 0.818 93 L CB 2.150 43.683 42.059 -0.877 0.000 1.298 93 L HN 0.570 nan 8.230 nan 0.000 0.420 94 S N 1.369 117.011 115.700 -0.096 0.000 2.569 94 S HA 0.957 5.416 4.470 -0.019 0.000 0.280 94 S C -1.291 173.213 174.600 -0.159 0.000 1.111 94 S CA -0.166 57.954 58.200 -0.133 0.000 0.887 94 S CB 2.076 65.109 63.200 -0.278 0.000 1.095 94 S HN 0.826 nan 8.310 nan 0.000 0.476 95 A N 1.595 124.332 122.820 -0.137 0.000 2.610 95 A HA 0.915 5.223 4.320 -0.019 0.000 0.291 95 A C -0.779 176.760 177.584 -0.076 0.000 1.086 95 A CA -0.234 51.746 52.037 -0.094 0.000 0.677 95 A CB 1.187 20.140 19.000 -0.078 0.000 1.278 95 A HN 1.840 nan 8.150 nan 0.000 0.414 96 S N -0.744 114.930 115.700 -0.043 0.000 2.588 96 S HA 0.902 5.361 4.470 -0.019 0.000 0.269 96 S C -0.563 174.028 174.600 -0.015 0.000 1.157 96 S CA 0.190 58.367 58.200 -0.039 0.000 0.824 96 S CB 1.384 64.558 63.200 -0.044 0.000 1.126 96 S HN 2.344 nan 8.310 nan 0.000 0.464 97 T N -1.743 112.794 114.554 -0.028 0.000 2.841 97 T HA 0.927 5.266 4.350 -0.019 0.000 0.296 97 T C 0.347 175.007 174.700 -0.067 0.000 1.166 97 T CA -0.201 61.880 62.100 -0.031 0.000 1.007 97 T CB 1.189 70.045 68.868 -0.020 0.000 1.253 97 T HN 1.487 nan 8.240 nan 0.000 0.511 98 G N -0.197 108.538 108.800 -0.108 0.000 3.418 98 G HA2 0.411 4.360 3.960 -0.019 0.000 0.179 98 G HA3 0.411 4.360 3.960 -0.019 0.000 0.179 98 G C 0.582 175.351 174.900 -0.218 0.000 1.212 98 G CA -0.154 44.857 45.100 -0.149 0.000 0.935 98 G HN 0.768 nan 8.290 nan 0.000 0.716 99 L N -0.435 120.582 121.223 -0.343 0.000 2.046 99 L HA 0.187 4.515 4.340 -0.019 0.000 0.208 99 L C 0.547 176.999 176.870 -0.698 0.000 1.077 99 L CA 1.329 55.845 54.840 -0.540 0.000 0.747 99 L CB -0.385 41.244 42.059 -0.716 0.000 0.896 99 L HN 0.324 nan 8.230 nan 0.000 0.432 100 Y N 1.003 121.167 120.300 -0.226 0.000 2.432 100 Y HA 0.424 4.962 4.550 -0.019 0.000 0.322 100 Y C 0.222 176.061 175.900 -0.102 0.000 1.246 100 Y CA -0.977 57.032 58.100 -0.152 0.000 1.268 100 Y CB 0.716 39.076 38.460 -0.167 0.000 1.276 100 Y HN -0.004 nan 8.280 nan 0.000 0.499 101 K N 0.432 120.922 120.400 0.150 0.000 2.533 101 K HA 0.612 4.920 4.320 -0.019 0.000 0.272 101 K C -1.598 175.061 176.600 0.098 0.000 0.985 101 K CA -0.921 55.414 56.287 0.080 0.000 0.876 101 K CB 3.004 35.529 32.500 0.041 0.000 1.452 101 K HN 0.864 nan 8.250 nan 0.000 0.439 102 E N -0.649 119.599 120.200 0.080 0.000 2.407 102 E HA 0.243 4.582 4.350 -0.019 0.000 0.279 102 E C -1.072 175.575 176.600 0.078 0.000 1.012 102 E CA -0.922 55.532 56.400 0.090 0.000 0.800 102 E CB 1.250 31.019 29.700 0.115 0.000 1.276 102 E HN 0.624 nan 8.360 nan 0.000 0.452 103 T N 0.259 114.864 114.554 0.085 0.000 2.919 103 T HA 0.267 4.605 4.350 -0.019 0.000 0.302 103 T C 0.009 174.775 174.700 0.109 0.000 1.031 103 T CA -0.639 61.511 62.100 0.082 0.000 1.127 103 T CB 0.229 69.148 68.868 0.084 0.000 0.952 103 T HN 0.436 nan 8.240 nan 0.000 0.540 104 N N 2.657 121.405 118.700 0.080 0.000 2.886 104 N HA 0.210 4.938 4.740 -0.019 0.000 0.285 104 N C -0.888 174.665 175.510 0.072 0.000 1.706 104 N CA -0.344 52.758 53.050 0.087 0.000 0.904 104 N CB 1.285 39.789 38.487 0.028 0.000 1.224 104 N HN 0.646 nan 8.380 nan 0.000 0.488 105 T N 1.741 116.376 114.554 0.135 0.000 2.744 105 T HA 0.383 4.722 4.350 -0.019 0.000 0.291 105 T C 0.634 175.440 174.700 0.177 0.000 0.957 105 T CA -0.327 61.839 62.100 0.109 0.000 1.002 105 T CB 1.187 70.126 68.868 0.119 0.000 0.919 105 T HN 0.078 nan 8.240 nan 0.000 0.468 106 I N 4.940 125.561 120.570 0.084 0.000 2.315 106 I HA 0.193 4.351 4.170 -0.019 0.000 0.291 106 I C 0.433 176.727 176.117 0.295 0.000 1.006 106 I CA -0.651 60.758 61.300 0.181 0.000 1.265 106 I CB 1.180 39.168 38.000 -0.020 0.000 1.387 106 I HN 0.506 nan 8.210 nan 0.000 0.475 107 L N 4.545 126.010 121.223 0.403 0.000 2.408 107 L HA 0.148 4.477 4.340 -0.019 0.000 0.215 107 L C 0.912 178.090 176.870 0.514 0.000 1.081 107 L CA 0.632 55.721 54.840 0.415 0.000 0.840 107 L CB -0.557 41.651 42.059 0.248 0.000 1.002 107 L HN 0.764 nan 8.230 nan 0.000 0.468 108 S N -2.905 113.130 115.700 0.559 0.000 2.570 108 S HA 0.616 5.074 4.470 -0.019 0.000 0.270 108 S C -1.982 173.052 174.600 0.724 0.000 1.149 108 S CA -0.727 57.765 58.200 0.487 0.000 0.837 108 S CB 2.194 65.558 63.200 0.274 0.000 1.124 108 S HN 0.087 nan 8.310 nan 0.000 0.465 109 W N 2.112 123.672 121.300 0.432 0.000 3.405 109 W HA 0.673 5.322 4.660 -0.018 0.000 0.329 109 W C -1.331 175.391 176.519 0.339 0.000 1.142 109 W CA -0.309 57.340 57.345 0.508 0.000 1.235 109 W CB 1.524 31.422 29.460 0.730 0.000 1.341 109 W HN 1.249 nan 8.180 nan 0.000 0.481 110 S N 4.519 120.288 115.700 0.115 0.000 2.570 110 S HA 0.898 5.357 4.470 -0.019 0.000 0.286 110 S C -1.647 172.661 174.600 -0.487 0.000 1.099 110 S CA -0.618 57.381 58.200 -0.336 0.000 0.913 110 S CB 2.752 65.865 63.200 -0.144 0.000 1.085 110 S HN 0.675 nan 8.310 nan 0.000 0.480 111 F N 0.592 119.896 119.950 -1.077 0.000 2.615 111 F HA 0.645 5.163 4.527 -0.016 0.000 0.312 111 F C -1.336 174.099 175.800 -0.607 0.000 1.119 111 F CA -0.009 57.424 58.000 -0.945 0.000 0.979 111 F CB 2.050 40.109 39.000 -1.567 0.000 1.266 111 F HN 0.772 nan 8.300 nan 0.000 0.444 112 T N 3.546 117.402 114.554 -1.163 0.000 2.881 112 T HA 0.612 4.950 4.350 -0.019 0.000 0.290 112 T C -1.106 172.990 174.700 -1.007 0.000 1.000 112 T CA -0.816 60.809 62.100 -0.792 0.000 0.978 112 T CB 1.516 70.122 68.868 -0.437 0.000 0.997 112 T HN 0.640 nan 8.240 nan 0.000 0.443 113 S N 2.776 118.165 115.700 -0.518 0.000 2.536 113 S HA 0.837 5.296 4.470 -0.019 0.000 0.298 113 S C -1.051 173.526 174.600 -0.038 0.000 1.083 113 S CA -1.088 57.032 58.200 -0.132 0.000 0.995 113 S CB 1.890 65.221 63.200 0.218 0.000 1.058 113 S HN 0.617 nan 8.310 nan 0.000 0.488 114 K N 1.176 121.568 120.400 -0.014 0.000 2.469 114 K HA 0.606 4.915 4.320 -0.019 0.000 0.254 114 K C -1.656 174.935 176.600 -0.013 0.000 0.939 114 K CA -0.653 55.620 56.287 -0.023 0.000 0.812 114 K CB 2.108 34.574 32.500 -0.056 0.000 1.301 114 K HN 0.571 nan 8.250 nan 0.000 0.433 115 L N 2.714 123.918 121.223 -0.033 0.000 2.372 115 L HA 0.488 4.817 4.340 -0.019 0.000 0.274 115 L C -0.901 175.947 176.870 -0.036 0.000 0.988 115 L CA -0.726 54.084 54.840 -0.050 0.000 0.833 115 L CB 1.481 43.467 42.059 -0.121 0.000 1.236 115 L HN 0.422 nan 8.230 nan 0.000 0.410 116 K N 1.840 122.222 120.400 -0.031 0.000 2.318 116 K HA 0.779 5.087 4.320 -0.019 0.000 0.249 116 K C -0.749 175.838 176.600 -0.020 0.000 0.942 116 K CA -0.704 55.567 56.287 -0.025 0.000 0.808 116 K CB 2.661 35.141 32.500 -0.033 0.000 1.189 116 K HN 0.416 nan 8.250 nan 0.000 0.428 117 S N 0.227 115.919 115.700 -0.013 0.000 2.786 117 S HA 0.437 4.895 4.470 -0.019 0.000 0.302 117 S C -0.498 174.101 174.600 -0.001 0.000 1.080 117 S CA -0.889 57.306 58.200 -0.009 0.000 0.925 117 S CB 0.864 64.058 63.200 -0.010 0.000 1.325 117 S HN 0.524 nan 8.310 nan 0.000 0.576 123 T N 2.047 116.602 114.554 0.002 0.000 2.795 123 T HA 0.562 4.901 4.350 -0.019 0.000 0.282 123 T C -0.376 174.331 174.700 0.013 0.000 0.980 123 T CA -0.611 61.487 62.100 -0.003 0.000 1.012 123 T CB 0.616 69.476 68.868 -0.013 0.000 0.936 123 T HN 0.138 nan 8.240 nan 0.000 0.457 124 N N 1.497 120.205 118.700 0.013 0.000 2.456 124 N HA 0.767 5.495 4.740 -0.019 0.000 0.296 124 N C -0.844 174.683 175.510 0.029 0.000 1.102 124 N CA -0.568 52.505 53.050 0.039 0.000 0.924 124 N CB 1.619 40.141 38.487 0.058 0.000 1.186 124 N HN 0.853 nan 8.380 nan 0.000 0.492 125 A N 0.813 123.666 122.820 0.054 0.000 2.574 125 A HA 0.685 4.994 4.320 -0.019 0.000 0.297 125 A C -1.866 175.776 177.584 0.097 0.000 1.062 125 A CA -0.538 51.526 52.037 0.045 0.000 0.686 125 A CB 1.075 20.076 19.000 0.003 0.000 1.285 125 A HN 0.530 nan 8.150 nan 0.000 0.403 126 L N 1.541 122.832 121.223 0.112 0.000 2.385 126 L HA 0.847 5.175 4.340 -0.019 0.000 0.273 126 L C -1.141 175.787 176.870 0.097 0.000 0.990 126 L CA -0.135 54.806 54.840 0.168 0.000 0.821 126 L CB 1.910 44.149 42.059 0.301 0.000 1.279 126 L HN 0.913 nan 8.230 nan 0.000 0.412 127 H N 4.324 123.352 119.070 -0.070 0.000 2.759 127 H HA 0.694 5.240 4.556 -0.016 0.000 0.354 127 H C -1.724 173.467 175.328 -0.227 0.000 1.074 127 H CA -0.806 55.097 56.048 -0.241 0.000 1.226 127 H CB 1.234 30.869 29.762 -0.212 0.000 1.648 127 H HN 0.499 nan 8.280 nan 0.000 0.529 128 F N 2.694 122.145 119.950 -0.832 0.000 2.588 128 F HA 0.772 5.288 4.527 -0.017 0.000 0.314 128 F C -1.800 173.327 175.800 -1.122 0.000 1.069 128 F CA -1.213 56.168 58.000 -1.032 0.000 0.931 128 F CB 0.988 39.266 39.000 -1.202 0.000 1.260 128 F HN 0.254 nan 8.300 nan 0.000 0.465 129 V N 2.414 121.840 119.914 -0.812 0.000 2.638 129 V HA 0.498 4.606 4.120 -0.019 0.000 0.306 129 V C -1.388 174.331 176.094 -0.625 0.000 1.052 129 V CA -0.714 61.234 62.300 -0.587 0.000 0.885 129 V CB 1.668 33.277 31.823 -0.357 0.000 0.999 129 V HN 0.671 nan 8.190 nan 0.000 0.424 130 F N 3.087 122.975 119.950 -0.104 0.000 2.445 130 F HA 0.527 5.044 4.527 -0.017 0.000 0.348 130 F C 1.120 176.744 175.800 -0.294 0.000 1.125 130 F CA -0.622 57.211 58.000 -0.279 0.000 0.983 130 F CB 1.538 40.201 39.000 -0.562 0.000 1.198 130 F HN 0.405 nan 8.300 nan 0.000 0.436 131 N N 1.402 120.070 118.700 -0.053 0.000 2.325 131 N HA 0.066 4.794 4.740 -0.019 0.000 0.182 131 N C -0.264 175.225 175.510 -0.034 0.000 1.088 131 N CA 0.482 53.523 53.050 -0.016 0.000 0.879 131 N CB 0.585 39.082 38.487 0.017 0.000 0.983 131 N HN 0.618 nan 8.380 nan 0.000 0.471 132 Q N -0.079 119.661 119.800 -0.100 0.000 2.305 132 Q HA 0.329 4.658 4.340 -0.019 0.000 0.271 132 Q C -1.365 174.571 176.000 -0.106 0.000 1.046 132 Q CA -0.481 55.309 55.803 -0.021 0.000 0.798 132 Q CB 2.032 30.796 28.738 0.044 0.000 1.286 132 Q HN -0.026 nan 8.270 nan 0.000 0.435 133 F N 0.745 120.765 119.950 0.118 0.000 2.399 133 F HA 0.433 4.950 4.527 -0.018 0.000 0.328 133 F C 0.738 176.564 175.800 0.043 0.000 1.084 133 F CA -0.296 57.736 58.000 0.054 0.000 1.053 133 F CB 1.634 40.642 39.000 0.014 0.000 1.209 133 F HN 0.385 nan 8.300 nan 0.000 0.502 134 S N 0.456 116.271 115.700 0.192 0.000 2.607 134 S HA 0.366 4.824 4.470 -0.019 0.000 0.303 134 S C 0.681 175.337 174.600 0.094 0.000 1.086 134 S CA -1.100 57.170 58.200 0.117 0.000 0.995 134 S CB 2.049 65.299 63.200 0.083 0.000 1.084 134 S HN 0.720 nan 8.310 nan 0.000 0.507 135 K N 0.378 120.817 120.400 0.065 0.000 2.074 135 K HA -0.185 4.123 4.320 -0.019 0.000 0.209 135 K C -0.094 176.522 176.600 0.026 0.000 1.048 135 K CA 2.050 58.361 56.287 0.041 0.000 0.926 135 K CB -0.120 32.398 32.500 0.031 0.000 0.713 135 K HN 0.712 nan 8.250 nan 0.000 0.444 136 D N 0.560 120.974 120.400 0.023 0.000 2.438 136 D HA 0.070 4.699 4.640 -0.019 0.000 0.257 136 D C -1.564 174.739 176.300 0.005 0.000 1.148 136 D CA -0.436 53.567 54.000 0.006 0.000 0.902 136 D CB 1.166 41.964 40.800 -0.004 0.000 1.062 136 D HN 0.028 nan 8.370 nan 0.000 0.518 137 Q N 3.023 122.826 119.800 0.005 0.000 2.503 137 Q HA 0.230 4.559 4.340 -0.019 0.000 0.227 137 Q C 0.578 176.558 176.000 -0.033 0.000 1.109 137 Q CA -0.120 55.686 55.803 0.005 0.000 0.922 137 Q CB 0.714 29.457 28.738 0.009 0.000 1.249 137 Q HN 0.318 nan 8.270 nan 0.000 0.530 138 K N 1.483 121.847 120.400 -0.060 0.000 2.365 138 K HA -0.084 4.225 4.320 -0.019 0.000 0.199 138 K C 0.250 176.681 176.600 -0.282 0.000 1.045 138 K CA 1.155 57.347 56.287 -0.159 0.000 0.962 138 K CB 0.419 32.815 32.500 -0.174 0.000 0.759 138 K HN 0.636 nan 8.250 nan 0.000 0.469 139 D N 0.198 120.506 120.400 -0.154 0.000 2.325 139 D HA 0.009 4.637 4.640 -0.019 0.000 0.225 139 D C 0.107 176.354 176.300 -0.088 0.000 1.096 139 D CA 0.088 53.978 54.000 -0.184 0.000 0.844 139 D CB -0.068 40.726 40.800 -0.010 0.000 0.925 139 D HN 0.037 nan 8.370 nan 0.000 0.513 140 L N 0.332 121.546 121.223 -0.016 0.000 2.346 140 L HA 0.467 4.795 4.340 -0.019 0.000 0.274 140 L C -0.194 176.719 176.870 0.072 0.000 1.007 140 L CA -1.078 53.780 54.840 0.031 0.000 0.818 140 L CB 2.541 44.596 42.059 -0.006 0.000 1.284 140 L HN -0.209 nan 8.230 nan 0.000 0.424 141 I N 4.165 124.777 120.570 0.070 0.000 2.291 141 I HA 0.251 4.409 4.170 -0.019 0.000 0.290 141 I C -0.340 175.788 176.117 0.017 0.000 1.050 141 I CA -0.227 61.100 61.300 0.046 0.000 1.245 141 I CB 0.724 38.711 38.000 -0.020 0.000 1.405 141 I HN 0.309 nan 8.210 nan 0.000 0.478 142 L N 7.315 128.539 121.223 0.002 0.000 2.290 142 L HA 0.391 4.720 4.340 -0.019 0.000 0.284 142 L C -0.073 176.781 176.870 -0.027 0.000 1.078 142 L CA -0.354 54.472 54.840 -0.023 0.000 0.815 142 L CB 0.621 42.658 42.059 -0.038 0.000 1.162 142 L HN 0.593 nan 8.230 nan 0.000 0.435 143 Q N 1.472 121.251 119.800 -0.035 0.000 2.348 143 Q HA 0.578 4.906 4.340 -0.019 0.000 0.271 143 Q C 0.658 176.625 176.000 -0.056 0.000 1.067 143 Q CA -0.203 55.574 55.803 -0.042 0.000 0.839 143 Q CB 2.329 31.043 28.738 -0.041 0.000 1.354 143 Q HN 0.799 nan 8.270 nan 0.000 0.447 144 G N 1.987 110.753 108.800 -0.056 0.000 2.660 144 G HA2 -0.356 3.593 3.960 -0.019 0.000 0.321 144 G HA3 -0.356 3.593 3.960 -0.019 0.000 0.321 144 G C 0.082 174.950 174.900 -0.054 0.000 1.246 144 G CA 0.639 45.704 45.100 -0.058 0.000 1.000 144 G HN 0.767 nan 8.290 nan 0.000 0.550 145 D N 2.113 122.479 120.400 -0.058 0.000 2.340 145 D HA 0.439 5.068 4.640 -0.019 0.000 0.220 145 D C 1.394 177.660 176.300 -0.058 0.000 1.039 145 D CA 0.861 54.830 54.000 -0.052 0.000 0.866 145 D CB -0.218 40.553 40.800 -0.048 0.000 0.913 145 D HN 0.816 nan 8.370 nan 0.000 0.523 146 A N 1.054 123.832 122.820 -0.069 0.000 2.477 146 A HA 0.432 4.741 4.320 -0.019 0.000 0.246 146 A C 0.741 178.278 177.584 -0.078 0.000 1.078 146 A CA 0.087 52.072 52.037 -0.087 0.000 0.770 146 A CB 0.090 19.029 19.000 -0.101 0.000 1.011 146 A HN 0.157 nan 8.150 nan 0.000 0.494 147 T N -0.701 113.800 114.554 -0.089 0.000 2.916 147 T HA 0.712 5.051 4.350 -0.019 0.000 0.305 147 T C -0.335 174.311 174.700 -0.089 0.000 1.119 147 T CA -0.119 61.940 62.100 -0.069 0.000 1.008 147 T CB 1.360 70.202 68.868 -0.044 0.000 1.129 147 T HN 1.113 nan 8.240 nan 0.000 0.480 148 T N -0.088 114.431 114.554 -0.059 0.000 2.902 148 T HA 0.751 5.090 4.350 -0.019 0.000 0.283 148 T C 0.933 175.638 174.700 0.008 0.000 1.009 148 T CA -0.487 61.592 62.100 -0.036 0.000 1.051 148 T CB 1.213 70.087 68.868 0.011 0.000 0.999 148 T HN 1.050 nan 8.240 nan 0.000 0.474 149 G N 0.368 109.191 108.800 0.038 0.000 2.611 149 G HA2 0.404 4.352 3.960 -0.019 0.000 0.273 149 G HA3 0.404 4.352 3.960 -0.019 0.000 0.273 149 G C 0.053 174.989 174.900 0.060 0.000 1.305 149 G CA -0.657 44.473 45.100 0.050 0.000 1.010 149 G HN 0.895 nan 8.290 nan 0.000 0.509 150 T N 0.032 114.618 114.554 0.053 0.000 2.902 150 T HA 0.244 4.582 4.350 -0.019 0.000 0.301 150 T C -0.045 174.688 174.700 0.055 0.000 1.012 150 T CA 0.496 62.632 62.100 0.060 0.000 1.151 150 T CB 0.062 68.962 68.868 0.052 0.000 0.946 150 T HN 0.522 nan 8.240 nan 0.000 0.542 151 D N 2.474 122.915 120.400 0.070 0.000 2.788 151 D HA 0.368 4.997 4.640 -0.019 0.000 0.289 151 D C 1.179 177.546 176.300 0.111 0.000 1.340 151 D CA -0.120 53.927 54.000 0.079 0.000 0.831 151 D CB -0.158 40.685 40.800 0.071 0.000 1.103 151 D HN 0.755 nan 8.370 nan 0.000 0.476 152 G N 0.272 109.155 108.800 0.137 0.000 2.184 152 G HA2 -0.295 3.654 3.960 -0.019 0.000 0.264 152 G HA3 -0.295 3.654 3.960 -0.019 0.000 0.264 152 G C -0.044 175.051 174.900 0.325 0.000 0.975 152 G CA -0.191 45.027 45.100 0.196 0.000 0.642 152 G HN 0.427 nan 8.290 nan 0.000 0.536 153 N N -0.566 118.282 118.700 0.248 0.000 2.459 153 N HA 0.687 5.415 4.740 -0.019 0.000 0.288 153 N C -0.628 174.864 175.510 -0.029 0.000 1.186 153 N CA -0.703 52.481 53.050 0.223 0.000 0.917 153 N CB 1.760 40.324 38.487 0.128 0.000 1.219 153 N HN 0.298 nan 8.380 nan 0.000 0.525 154 L N 0.943 121.927 121.223 -0.399 0.000 2.280 154 L HA 0.375 4.703 4.340 -0.019 0.000 0.287 154 L C -0.525 176.175 176.870 -0.282 0.000 1.023 154 L CA -0.184 54.291 54.840 -0.609 0.000 0.819 154 L CB 0.611 41.818 42.059 -1.420 0.000 1.212 154 L HN 0.311 nan 8.230 nan 0.000 0.420 155 E N 6.181 126.276 120.200 -0.174 0.000 2.035 155 E HA 0.177 4.515 4.350 -0.019 0.000 0.271 155 E C 0.841 177.374 176.600 -0.112 0.000 0.953 155 E CA -0.185 56.157 56.400 -0.097 0.000 0.777 155 E CB 1.498 31.169 29.700 -0.050 0.000 1.104 155 E HN 0.780 nan 8.360 nan 0.000 0.408 156 L N 1.450 122.603 121.223 -0.117 0.000 2.083 156 L HA -0.124 4.205 4.340 -0.019 0.000 0.209 156 L C 1.404 178.224 176.870 -0.083 0.000 1.083 156 L CA 1.271 56.040 54.840 -0.119 0.000 0.752 156 L CB -0.345 41.636 42.059 -0.131 0.000 0.899 156 L HN 0.406 nan 8.230 nan 0.000 0.433 157 T N -3.375 111.145 114.554 -0.056 0.000 2.930 157 T HA 0.489 4.827 4.350 -0.019 0.000 0.290 157 T C -0.298 174.385 174.700 -0.029 0.000 1.052 157 T CA -0.986 61.088 62.100 -0.042 0.000 1.017 157 T CB 2.327 71.177 68.868 -0.030 0.000 1.137 157 T HN -0.152 nan 8.240 nan 0.000 0.511 158 R N 0.503 120.987 120.500 -0.027 0.000 2.489 158 R HA 0.500 4.828 4.340 -0.019 0.000 0.287 158 R C -1.031 175.264 176.300 -0.008 0.000 1.053 158 R CA -0.028 56.060 56.100 -0.020 0.000 1.036 158 R CB -0.189 30.097 30.300 -0.023 0.000 0.966 158 R HN 0.603 nan 8.270 nan 0.000 0.432 159 V N 3.775 123.687 119.914 -0.004 0.000 2.540 159 V HA 0.359 4.467 4.120 -0.019 0.000 0.302 159 V C -0.182 175.914 176.094 0.004 0.000 1.035 159 V CA -0.815 61.488 62.300 0.006 0.000 0.873 159 V CB 2.109 33.940 31.823 0.013 0.000 0.992 159 V HN 0.920 nan 8.190 nan 0.000 0.428 160 S N 2.026 117.730 115.700 0.007 0.000 2.600 160 S HA 0.111 4.569 4.470 -0.019 0.000 0.265 160 S C 1.556 176.161 174.600 0.008 0.000 1.325 160 S CA 0.220 58.423 58.200 0.005 0.000 1.002 160 S CB 1.249 64.453 63.200 0.006 0.000 0.921 160 S HN 0.902 nan 8.310 nan 0.000 0.554 161 S N 1.976 117.680 115.700 0.006 0.000 2.372 161 S HA -0.203 4.255 4.470 -0.019 0.000 0.227 161 S C 1.650 176.256 174.600 0.011 0.000 1.044 161 S CA 1.979 60.184 58.200 0.008 0.000 1.050 161 S CB -0.705 62.499 63.200 0.006 0.000 0.901 161 S HN 0.818 nan 8.310 nan 0.000 0.447 162 N N 0.468 119.175 118.700 0.011 0.000 2.515 162 N HA 0.162 4.890 4.740 -0.019 0.000 0.191 162 N C 1.105 176.625 175.510 0.017 0.000 1.182 162 N CA 1.167 54.225 53.050 0.014 0.000 0.879 162 N CB -0.714 37.781 38.487 0.012 0.000 0.984 162 N HN 0.547 nan 8.380 nan 0.000 0.453 163 G N -1.530 107.281 108.800 0.018 0.000 2.195 163 G HA2 -0.275 3.673 3.960 -0.019 0.000 0.246 163 G HA3 -0.275 3.673 3.960 -0.019 0.000 0.246 163 G C -0.056 174.859 174.900 0.026 0.000 0.984 163 G CA 0.198 45.312 45.100 0.023 0.000 0.633 163 G HN 0.502 nan 8.290 nan 0.000 0.525 164 S N 3.330 119.043 115.700 0.022 0.000 2.488 164 S HA 0.505 4.963 4.470 -0.019 0.000 0.278 164 S C -1.658 172.956 174.600 0.023 0.000 1.259 164 S CA -0.636 57.579 58.200 0.024 0.000 1.061 164 S CB 1.236 64.449 63.200 0.021 0.000 0.910 164 S HN 0.370 nan 8.310 nan 0.000 0.491 165 P HA 0.113 nan 4.420 nan 0.000 0.271 165 P C -0.911 176.400 177.300 0.018 0.000 1.216 165 P CA -0.291 62.825 63.100 0.027 0.000 0.776 165 P CB 0.541 32.266 31.700 0.042 0.000 0.881 166 Q N 0.896 120.699 119.800 0.005 0.000 2.214 166 Q HA 0.535 4.863 4.340 -0.019 0.000 0.251 166 Q C 0.874 176.863 176.000 -0.019 0.000 0.936 166 Q CA -0.785 55.013 55.803 -0.008 0.000 0.894 166 Q CB 1.445 30.174 28.738 -0.014 0.000 1.252 166 Q HN 0.514 nan 8.270 nan 0.000 0.448 167 G N -0.286 108.492 108.800 -0.036 0.000 2.588 167 G HA2 0.236 4.185 3.960 -0.019 0.000 0.281 167 G HA3 0.236 4.185 3.960 -0.019 0.000 0.281 167 G C -0.248 174.614 174.900 -0.063 0.000 1.236 167 G CA -0.426 44.636 45.100 -0.062 0.000 0.969 167 G HN 0.689 nan 8.290 nan 0.000 0.504 168 S N -1.777 113.876 115.700 -0.078 0.000 3.549 168 S HA -0.177 4.282 4.470 -0.019 0.000 0.366 168 S C 0.392 174.958 174.600 -0.056 0.000 1.012 168 S CA 0.961 59.119 58.200 -0.070 0.000 1.141 168 S CB -1.586 61.572 63.200 -0.070 0.000 0.910 168 S HN 0.985 nan 8.310 nan 0.000 0.471 169 S N -0.305 115.364 115.700 -0.052 0.000 2.501 169 S HA 0.814 5.273 4.470 -0.019 0.000 0.301 169 S C -0.500 174.068 174.600 -0.054 0.000 1.096 169 S CA -0.261 57.910 58.200 -0.048 0.000 1.063 169 S CB 1.972 65.150 63.200 -0.038 0.000 1.042 169 S HN 0.827 nan 8.310 nan 0.000 0.494 170 V N 3.154 123.031 119.914 -0.061 0.000 2.932 170 V HA 0.946 5.055 4.120 -0.019 0.000 0.307 170 V C -0.283 175.763 176.094 -0.081 0.000 1.147 170 V CA 0.343 62.598 62.300 -0.075 0.000 0.951 170 V CB 1.686 33.458 31.823 -0.085 0.000 1.031 170 V HN 1.129 nan 8.190 nan 0.000 0.426 171 G N 5.196 113.939 108.800 -0.094 0.000 2.703 171 G HA2 0.758 4.707 3.960 -0.019 0.000 0.294 171 G HA3 0.758 4.707 3.960 -0.019 0.000 0.294 171 G C -1.844 172.992 174.900 -0.107 0.000 1.451 171 G CA -0.899 44.145 45.100 -0.093 0.000 0.869 171 G HN 0.807 nan 8.290 nan 0.000 0.516 172 R N -0.522 119.926 120.500 -0.087 0.000 2.740 172 R HA 0.769 5.097 4.340 -0.019 0.000 0.273 172 R C -1.014 175.261 176.300 -0.041 0.000 0.998 172 R CA -0.969 55.100 56.100 -0.051 0.000 0.900 172 R CB 2.623 32.921 30.300 -0.002 0.000 1.223 172 R HN 0.823 nan 8.270 nan 0.000 0.466 173 A N 3.372 126.156 122.820 -0.060 0.000 2.319 173 A HA 0.606 4.915 4.320 -0.019 0.000 0.310 173 A C -0.794 176.813 177.584 0.038 0.000 1.152 173 A CA -0.724 51.297 52.037 -0.026 0.000 0.783 173 A CB 0.890 19.851 19.000 -0.066 0.000 1.184 173 A HN 0.422 nan 8.150 nan 0.000 0.474 174 L N 2.215 123.496 121.223 0.097 0.000 2.334 174 L HA 0.468 4.797 4.340 -0.019 0.000 0.276 174 L C -0.211 176.786 176.870 0.212 0.000 1.014 174 L CA -0.513 54.400 54.840 0.121 0.000 0.815 174 L CB 1.274 43.336 42.059 0.004 0.000 1.268 174 L HN 0.785 nan 8.230 nan 0.000 0.428 175 F N 1.326 121.334 119.950 0.097 0.000 2.572 175 F HA -0.051 4.465 4.527 -0.017 0.000 0.370 175 F C 1.177 176.937 175.800 -0.067 0.000 1.103 175 F CA 0.243 58.159 58.000 -0.140 0.000 1.286 175 F CB 0.344 38.994 39.000 -0.584 0.000 1.105 175 F HN 0.375 nan 8.300 nan 0.000 0.583 176 Y N 4.343 124.037 120.300 -1.009 0.000 2.128 176 Y HA -0.055 4.484 4.550 -0.020 0.000 0.284 176 Y C 1.370 176.971 175.900 -0.498 0.000 1.154 176 Y CA 1.545 59.235 58.100 -0.684 0.000 1.149 176 Y CB -0.511 37.559 38.460 -0.649 0.000 0.976 176 Y HN 0.596 nan 8.280 nan 0.000 0.505 177 A N 1.175 123.694 122.820 -0.502 0.000 2.401 177 A HA 0.323 4.631 4.320 -0.019 0.000 0.259 177 A C -2.400 175.233 177.584 0.081 0.000 1.103 177 A CA -1.426 50.574 52.037 -0.061 0.000 0.789 177 A CB -0.463 18.670 19.000 0.222 0.000 1.035 177 A HN 0.171 nan 8.150 nan 0.000 0.491 178 P HA 0.238 nan 4.420 nan 0.000 0.268 178 P C -0.731 176.842 177.300 0.455 0.000 1.208 178 P CA -0.017 63.195 63.100 0.187 0.000 0.777 178 P CB 0.552 32.276 31.700 0.039 0.000 0.875 179 V N 2.225 122.407 119.914 0.446 0.000 2.540 179 V HA 0.194 4.302 4.120 -0.019 0.000 0.302 179 V C -0.030 176.155 176.094 0.151 0.000 1.035 179 V CA -0.491 62.025 62.300 0.360 0.000 0.873 179 V CB 1.285 33.255 31.823 0.245 0.000 0.992 179 V HN 0.572 nan 8.190 nan 0.000 0.428 180 H N 3.849 122.704 119.070 -0.359 0.000 2.969 180 H HA 0.254 4.799 4.556 -0.019 0.000 0.269 180 H C 0.780 175.843 175.328 -0.441 0.000 1.223 180 H CA -0.494 54.922 56.048 -1.054 0.000 1.400 180 H CB 0.977 29.954 29.762 -1.309 0.000 1.500 180 H HN 0.655 nan 8.280 nan 0.000 0.486 181 I N 5.830 126.284 120.570 -0.193 0.000 2.500 181 I HA -0.052 4.107 4.170 -0.019 0.000 0.252 181 I C 0.162 176.340 176.117 0.101 0.000 1.142 181 I CA 0.549 61.856 61.300 0.011 0.000 1.451 181 I CB 0.130 38.164 38.000 0.057 0.000 1.093 181 I HN 0.543 nan 8.210 nan 0.000 0.430 182 W N -0.392 120.867 121.300 -0.069 0.000 3.031 182 W HA 0.675 5.323 4.660 -0.020 0.000 0.337 182 W C -0.912 175.449 176.519 -0.263 0.000 1.187 182 W CA -0.745 56.545 57.345 -0.092 0.000 1.166 182 W CB 0.949 30.426 29.460 0.028 0.000 1.437 182 W HN -0.274 nan 8.180 nan 0.000 0.551 183 E N 0.702 121.020 120.200 0.196 0.000 2.304 183 E HA 0.215 4.554 4.350 -0.019 0.000 0.277 183 E C 0.012 176.771 176.600 0.265 0.000 0.898 183 E CA -0.368 56.089 56.400 0.096 0.000 0.764 183 E CB 2.907 32.430 29.700 -0.295 0.000 1.216 183 E HN 0.459 nan 8.360 nan 0.000 0.419 184 S N 1.122 117.027 115.700 0.341 0.000 2.400 184 S HA -0.156 4.302 4.470 -0.019 0.000 0.232 184 S C 1.550 176.211 174.600 0.103 0.000 1.025 184 S CA 1.796 60.117 58.200 0.203 0.000 0.993 184 S CB 0.003 63.323 63.200 0.200 0.000 0.808 184 S HN 0.601 nan 8.310 nan 0.000 0.478 185 S N 0.914 116.668 115.700 0.089 0.000 2.593 185 S HA 0.460 4.918 4.470 -0.019 0.000 0.217 185 S C 0.597 175.215 174.600 0.030 0.000 0.966 185 S CA 0.002 58.233 58.200 0.052 0.000 0.914 185 S CB -0.157 63.074 63.200 0.053 0.000 0.776 185 S HN 0.422 nan 8.310 nan 0.000 0.523 186 A N 1.183 124.019 122.820 0.028 0.000 2.440 186 A HA 0.579 4.888 4.320 -0.019 0.000 0.251 186 A C 1.052 178.640 177.584 0.006 0.000 1.089 186 A CA -0.163 51.878 52.037 0.006 0.000 0.779 186 A CB 0.704 19.701 19.000 -0.006 0.000 1.022 186 A HN 0.710 nan 8.150 nan 0.000 0.492 187 V N 3.090 123.000 119.914 -0.006 0.000 3.125 187 V HA 0.168 4.276 4.120 -0.019 0.000 0.249 187 V C 0.275 176.354 176.094 -0.026 0.000 1.113 187 V CA 1.312 63.603 62.300 -0.014 0.000 1.106 187 V CB -0.054 31.758 31.823 -0.018 0.000 0.768 187 V HN 0.623 nan 8.190 nan 0.000 0.468 188 V N 0.993 120.889 119.914 -0.030 0.000 2.680 188 V HA 0.896 5.004 4.120 -0.019 0.000 0.309 188 V C -0.066 176.019 176.094 -0.015 0.000 1.052 188 V CA -0.378 61.901 62.300 -0.035 0.000 0.908 188 V CB 1.075 32.861 31.823 -0.062 0.000 1.001 188 V HN 0.325 nan 8.190 nan 0.000 0.431 189 A N 2.919 125.748 122.820 0.015 0.000 2.303 189 A HA 0.885 5.193 4.320 -0.019 0.000 0.320 189 A C 0.029 177.657 177.584 0.073 0.000 1.192 189 A CA -0.291 51.791 52.037 0.076 0.000 0.821 189 A CB 1.143 20.248 19.000 0.175 0.000 1.188 189 A HN 1.298 nan 8.150 nan 0.000 0.492 190 S N 1.357 117.096 115.700 0.064 0.000 2.548 190 S HA 0.905 5.363 4.470 -0.019 0.000 0.286 190 S C -0.667 174.007 174.600 0.124 0.000 1.098 190 S CA -0.664 57.537 58.200 0.002 0.000 0.930 190 S CB 1.265 64.401 63.200 -0.106 0.000 1.070 190 S HN 1.482 nan 8.310 nan 0.000 0.480 191 F N -0.604 119.386 119.950 0.067 0.000 2.599 191 F HA 0.875 5.391 4.527 -0.019 0.000 0.311 191 F C -1.149 174.586 175.800 -0.108 0.000 1.076 191 F CA -0.891 57.057 58.000 -0.088 0.000 0.937 191 F CB 1.592 40.658 39.000 0.111 0.000 1.282 191 F HN 0.719 nan 8.300 nan 0.000 0.460 192 D N 1.251 121.568 120.400 -0.138 0.000 2.570 192 D HA 0.675 5.304 4.640 -0.019 0.000 0.244 192 D C -1.707 174.495 176.300 -0.164 0.000 1.178 192 D CA -0.910 53.035 54.000 -0.091 0.000 0.881 192 D CB 2.235 42.958 40.800 -0.129 0.000 1.453 192 D HN 1.003 nan 8.370 nan 0.000 0.447 193 A N 0.239 123.021 122.820 -0.063 0.000 2.488 193 A HA 0.681 4.990 4.320 -0.019 0.000 0.298 193 A C -0.745 176.854 177.584 0.026 0.000 1.044 193 A CA -0.580 51.419 52.037 -0.063 0.000 0.693 193 A CB 2.082 20.742 19.000 -0.567 0.000 1.272 193 A HN 0.677 nan 8.150 nan 0.000 0.402 194 T N 0.171 114.814 114.554 0.148 0.000 2.909 194 T HA 0.840 5.178 4.350 -0.019 0.000 0.299 194 T C -0.892 174.041 174.700 0.389 0.000 1.073 194 T CA -0.539 61.617 62.100 0.092 0.000 0.999 194 T CB 0.938 69.742 68.868 -0.107 0.000 1.098 194 T HN 1.615 nan 8.240 nan 0.000 0.477 195 F N 0.068 120.109 119.950 0.152 0.000 2.613 195 F HA 0.811 5.327 4.527 -0.019 0.000 0.310 195 F C -0.486 175.451 175.800 0.227 0.000 1.085 195 F CA -0.930 57.242 58.000 0.286 0.000 0.945 195 F CB 1.453 40.617 39.000 0.275 0.000 1.298 195 F HN 0.775 nan 8.300 nan 0.000 0.455 196 T N 0.347 115.147 114.554 0.410 0.000 2.912 196 T HA 0.878 5.217 4.350 -0.019 0.000 0.288 196 T C -1.081 173.855 174.700 0.393 0.000 1.030 196 T CA -0.663 61.544 62.100 0.178 0.000 1.020 196 T CB 1.994 70.882 68.868 0.033 0.000 1.056 196 T HN 1.170 nan 8.240 nan 0.000 0.480 197 F N -0.309 119.762 119.950 0.201 0.000 2.693 197 F HA 0.754 5.269 4.527 -0.019 0.000 0.309 197 F C -2.151 173.773 175.800 0.206 0.000 1.129 197 F CA -1.689 56.458 58.000 0.244 0.000 0.948 197 F CB 1.619 40.826 39.000 0.344 0.000 1.315 197 F HN 0.737 nan 8.300 nan 0.000 0.447 198 L N 3.690 125.125 121.223 0.353 0.000 2.471 198 L HA 0.592 4.920 4.340 -0.019 0.000 0.263 198 L C -1.666 175.405 176.870 0.335 0.000 0.985 198 L CA -0.509 54.488 54.840 0.262 0.000 0.868 198 L CB 1.217 43.372 42.059 0.160 0.000 1.203 198 L HN 0.731 nan 8.230 nan 0.000 0.429 199 I N 4.823 125.647 120.570 0.423 0.000 2.312 199 I HA 0.349 4.508 4.170 -0.019 0.000 0.290 199 I C -0.250 175.990 176.117 0.204 0.000 1.008 199 I CA -0.245 61.250 61.300 0.325 0.000 1.226 199 I CB 1.468 39.710 38.000 0.403 0.000 1.371 199 I HN 0.476 nan 8.210 nan 0.000 0.468 200 K N 4.460 124.946 120.400 0.144 0.000 2.378 200 K HA 0.616 4.925 4.320 -0.019 0.000 0.252 200 K C -1.153 175.495 176.600 0.079 0.000 0.931 200 K CA -0.432 55.911 56.287 0.093 0.000 0.794 200 K CB 1.970 34.516 32.500 0.077 0.000 1.181 200 K HN 0.535 nan 8.250 nan 0.000 0.425 201 S N 1.141 116.875 115.700 0.057 0.000 2.541 201 S HA 0.322 4.781 4.470 -0.019 0.000 0.280 201 S C 0.050 174.668 174.600 0.031 0.000 1.112 201 S CA -0.477 57.755 58.200 0.053 0.000 0.925 201 S CB 1.488 64.720 63.200 0.054 0.000 1.067 201 S HN 0.682 nan 8.310 nan 0.000 0.479 202 S N 1.575 117.297 115.700 0.038 0.000 2.520 202 S HA 0.167 4.626 4.470 -0.019 0.000 0.219 202 S C -0.186 174.431 174.600 0.029 0.000 1.028 202 S CA -0.124 58.090 58.200 0.024 0.000 0.921 202 S CB -0.606 62.610 63.200 0.028 0.000 0.844 202 S HN 0.814 nan 8.310 nan 0.000 0.495 203 D N 3.384 123.824 120.400 0.066 0.000 2.434 203 D HA 0.141 4.770 4.640 -0.019 0.000 0.252 203 D C 0.832 177.099 176.300 -0.055 0.000 1.185 203 D CA 0.237 54.291 54.000 0.092 0.000 0.886 203 D CB 0.644 41.599 40.800 0.259 0.000 1.148 203 D HN 0.249 nan 8.370 nan 0.000 0.483 204 S N 1.330 116.897 115.700 -0.222 0.000 2.776 204 S HA -0.151 4.308 4.470 -0.019 0.000 0.242 204 S C -0.213 174.035 174.600 -0.587 0.000 0.977 204 S CA 0.065 58.035 58.200 -0.384 0.000 0.985 204 S CB -1.037 61.908 63.200 -0.425 0.000 0.782 204 S HN 0.632 nan 8.310 nan 0.000 0.542 205 H N 0.749 119.757 119.070 -0.104 0.000 2.569 205 H HA 0.439 4.984 4.556 -0.019 0.000 0.247 205 H C -3.101 172.231 175.328 0.006 0.000 1.346 205 H CA -1.850 54.108 56.048 -0.150 0.000 1.502 205 H CB 0.637 29.983 29.762 -0.693 0.000 1.512 205 H HN 0.230 nan 8.280 nan 0.000 0.502 206 P HA 0.378 nan 4.420 nan 0.000 0.275 206 P C -0.581 176.854 177.300 0.225 0.000 1.227 206 P CA -0.178 63.010 63.100 0.145 0.000 0.781 206 P CB 1.399 33.154 31.700 0.091 0.000 0.906 207 A N 2.253 125.181 122.820 0.180 0.000 2.608 207 A HA 0.442 4.750 4.320 -0.019 0.000 0.292 207 A C -0.370 177.269 177.584 0.092 0.000 1.066 207 A CA -0.381 51.748 52.037 0.153 0.000 0.676 207 A CB 0.638 19.639 19.000 0.002 0.000 1.277 207 A HN 0.390 nan 8.150 nan 0.000 0.413 208 D N -0.502 119.942 120.400 0.073 0.000 2.388 208 D HA 0.439 5.067 4.640 -0.019 0.000 0.208 208 D C 0.802 177.180 176.300 0.129 0.000 1.035 208 D CA 1.637 55.703 54.000 0.111 0.000 0.875 208 D CB 0.770 41.609 40.800 0.065 0.000 0.984 208 D HN 1.277 nan 8.370 nan 0.000 0.508 209 G N -0.241 108.618 108.800 0.099 0.000 2.357 209 G HA2 0.133 4.081 3.960 -0.019 0.000 0.289 209 G HA3 0.133 4.081 3.960 -0.019 0.000 0.289 209 G C -1.726 173.193 174.900 0.033 0.000 1.302 209 G CA -0.993 44.169 45.100 0.104 0.000 0.936 209 G HN 0.017 nan 8.290 nan 0.000 0.513 210 I N 0.479 121.044 120.570 -0.008 0.000 2.608 210 I HA 0.700 4.859 4.170 -0.019 0.000 0.295 210 I C 0.340 176.416 176.117 -0.068 0.000 1.049 210 I CA -0.999 60.254 61.300 -0.079 0.000 1.063 210 I CB 2.113 40.037 38.000 -0.125 0.000 1.248 210 I HN 1.014 nan 8.210 nan 0.000 0.424 211 A N 4.907 127.670 122.820 -0.094 0.000 2.386 211 A HA 0.704 5.013 4.320 -0.019 0.000 0.311 211 A C -1.264 176.299 177.584 -0.033 0.000 1.068 211 A CA -0.422 51.614 52.037 -0.002 0.000 0.743 211 A CB 1.319 20.325 19.000 0.010 0.000 1.258 211 A HN 0.578 nan 8.150 nan 0.000 0.429 212 F N 3.293 123.246 119.950 0.005 0.000 2.404 212 F HA 0.699 5.216 4.527 -0.017 0.000 0.345 212 F C -0.746 175.151 175.800 0.160 0.000 1.110 212 F CA -1.189 56.813 58.000 0.004 0.000 1.130 212 F CB 0.574 39.718 39.000 0.240 0.000 1.129 212 F HN 0.559 nan 8.300 nan 0.000 0.500 213 F N 5.442 124.680 119.950 -1.186 0.000 2.613 213 F HA 0.808 5.324 4.527 -0.018 0.000 0.314 213 F C -1.945 173.302 175.800 -0.922 0.000 1.075 213 F CA -1.714 55.795 58.000 -0.818 0.000 0.945 213 F CB 1.148 39.887 39.000 -0.435 0.000 1.310 213 F HN 0.287 nan 8.300 nan 0.000 0.467 214 I N 2.094 122.386 120.570 -0.463 0.000 2.498 214 I HA 0.603 4.762 4.170 -0.019 0.000 0.290 214 I C -0.477 175.589 176.117 -0.085 0.000 1.032 214 I CA -0.591 60.474 61.300 -0.392 0.000 1.073 214 I CB 1.894 39.696 38.000 -0.330 0.000 1.251 214 I HN 0.781 nan 8.210 nan 0.000 0.426 215 S N 3.705 119.364 115.700 -0.068 0.000 2.671 215 S HA 0.423 4.882 4.470 -0.019 0.000 0.277 215 S C -1.093 173.517 174.600 0.017 0.000 1.165 215 S CA -0.878 57.349 58.200 0.045 0.000 0.822 215 S CB 1.523 64.835 63.200 0.186 0.000 1.150 215 S HN 0.750 nan 8.310 nan 0.000 0.479 216 N N 1.300 120.016 118.700 0.027 0.000 2.344 216 N HA 0.031 4.760 4.740 -0.019 0.000 0.236 216 N C 1.161 176.674 175.510 0.004 0.000 1.279 216 N CA 0.007 53.071 53.050 0.022 0.000 0.882 216 N CB 0.166 38.663 38.487 0.017 0.000 1.110 216 N HN 0.599 nan 8.380 nan 0.000 0.436 217 I N -0.218 120.349 120.570 -0.005 0.000 2.361 217 I HA -0.256 3.902 4.170 -0.019 0.000 0.251 217 I C 1.408 177.488 176.117 -0.062 0.000 1.133 217 I CA 1.334 62.611 61.300 -0.038 0.000 1.413 217 I CB -0.334 37.629 38.000 -0.061 0.000 1.073 217 I HN 0.599 nan 8.210 nan 0.000 0.424 218 D N -0.072 120.297 120.400 -0.051 0.000 2.336 218 D HA -0.024 4.605 4.640 -0.019 0.000 0.228 218 D C 0.816 177.091 176.300 -0.043 0.000 1.120 218 D CA 0.010 53.975 54.000 -0.058 0.000 0.839 218 D CB -0.228 40.539 40.800 -0.054 0.000 0.932 218 D HN 0.051 nan 8.370 nan 0.000 0.509 219 S N 0.457 116.143 115.700 -0.024 0.000 2.537 219 S HA 0.267 4.725 4.470 -0.019 0.000 0.286 219 S C 0.182 174.764 174.600 -0.030 0.000 1.299 219 S CA -0.298 57.892 58.200 -0.016 0.000 1.067 219 S CB 0.200 63.428 63.200 0.046 0.000 0.864 219 S HN 0.445 nan 8.310 nan 0.000 0.494 220 S N 4.628 120.288 115.700 -0.066 0.000 2.667 220 S HA 0.584 5.042 4.470 -0.019 0.000 0.292 220 S C -0.353 174.170 174.600 -0.127 0.000 1.126 220 S CA -1.089 57.064 58.200 -0.079 0.000 0.881 220 S CB 0.592 63.752 63.200 -0.066 0.000 1.132 220 S HN 0.690 nan 8.310 nan 0.000 0.492 221 I N 2.482 122.975 120.570 -0.129 0.000 2.664 221 I HA 0.166 4.324 4.170 -0.019 0.000 0.284 221 I C -2.116 173.923 176.117 -0.130 0.000 1.154 221 I CA -1.367 59.838 61.300 -0.158 0.000 1.402 221 I CB -0.194 37.728 38.000 -0.131 0.000 1.395 221 I HN 0.451 nan 8.210 nan 0.000 0.545 222 P HA 0.017 nan 4.420 nan 0.000 0.266 222 P C -0.440 176.815 177.300 -0.075 0.000 1.195 222 P CA -0.038 63.002 63.100 -0.100 0.000 0.768 222 P CB 0.385 32.025 31.700 -0.100 0.000 0.838 223 S N 1.958 117.625 115.700 -0.055 0.000 2.546 223 S HA 0.312 4.770 4.470 -0.019 0.000 0.290 223 S C 1.557 176.133 174.600 -0.040 0.000 1.290 223 S CA 0.918 59.090 58.200 -0.046 0.000 1.069 223 S CB -0.446 62.733 63.200 -0.036 0.000 0.846 223 S HN 0.927 nan 8.310 nan 0.000 0.495 224 G N 2.206 110.981 108.800 -0.042 0.000 2.148 224 G HA2 -0.326 3.623 3.960 -0.019 0.000 0.254 224 G HA3 -0.326 3.623 3.960 -0.019 0.000 0.254 224 G C 0.692 175.571 174.900 -0.034 0.000 0.981 224 G CA 0.403 45.481 45.100 -0.036 0.000 0.670 224 G HN 1.135 nan 8.290 nan 0.000 0.528 225 S N 0.258 115.931 115.700 -0.045 0.000 2.786 225 S HA 0.322 4.781 4.470 -0.019 0.000 0.223 225 S C 1.322 175.891 174.600 -0.051 0.000 0.956 225 S CA 1.007 59.180 58.200 -0.045 0.000 0.961 225 S CB -0.480 62.673 63.200 -0.079 0.000 0.784 225 S HN 1.641 nan 8.310 nan 0.000 0.519 226 T N -1.286 113.237 114.554 -0.051 0.000 2.663 226 T HA 0.501 4.840 4.350 -0.019 0.000 0.325 226 T C 1.366 176.043 174.700 -0.038 0.000 1.059 226 T CA 0.035 62.104 62.100 -0.051 0.000 1.039 226 T CB -0.305 68.530 68.868 -0.056 0.000 0.996 226 T HN 1.317 nan 8.240 nan 0.000 0.539 227 G N 1.926 110.701 108.800 -0.041 0.000 2.583 227 G HA2 -0.379 3.570 3.960 -0.019 0.000 0.292 227 G HA3 -0.379 3.570 3.960 -0.019 0.000 0.292 227 G C 0.780 175.686 174.900 0.010 0.000 1.203 227 G CA 0.724 45.803 45.100 -0.036 0.000 0.987 227 G HN 1.258 nan 8.290 nan 0.000 0.554 228 R N 0.741 121.263 120.500 0.037 0.000 2.328 228 R HA 0.208 4.536 4.340 -0.019 0.000 0.207 228 R C 2.130 178.479 176.300 0.082 0.000 1.056 228 R CA 1.596 57.749 56.100 0.089 0.000 1.016 228 R CB -0.282 30.084 30.300 0.111 0.000 0.872 228 R HN 0.485 nan 8.270 nan 0.000 0.471 229 L N 0.275 121.536 121.223 0.062 0.000 2.585 229 L HA 0.124 4.453 4.340 -0.019 0.000 0.226 229 L C 0.119 177.036 176.870 0.079 0.000 1.113 229 L CA -0.240 54.661 54.840 0.100 0.000 0.876 229 L CB 0.097 42.203 42.059 0.078 0.000 1.072 229 L HN 0.078 nan 8.230 nan 0.000 0.468 230 L N 0.749 121.983 121.223 0.019 0.000 4.291 230 L HA -0.235 4.094 4.340 -0.019 0.000 0.413 230 L C 1.225 178.020 176.870 -0.125 0.000 1.162 230 L CA 1.087 55.911 54.840 -0.026 0.000 0.961 230 L CB -2.312 39.759 42.059 0.020 0.000 2.095 230 L HN 0.534 nan 8.230 nan 0.000 0.838 231 G N -2.383 106.333 108.800 -0.140 0.000 2.155 231 G HA2 -0.344 3.604 3.960 -0.019 0.000 0.257 231 G HA3 -0.344 3.604 3.960 -0.019 0.000 0.257 231 G C 0.739 175.413 174.900 -0.376 0.000 0.983 231 G CA 0.523 45.488 45.100 -0.226 0.000 0.676 231 G HN 0.354 nan 8.290 nan 0.000 0.528 232 L N -1.826 119.171 121.223 -0.377 0.000 2.547 232 L HA 0.597 4.926 4.340 -0.019 0.000 0.218 232 L C 0.624 176.991 176.870 -0.839 0.000 1.048 232 L CA 0.590 55.010 54.840 -0.700 0.000 0.859 232 L CB -0.168 41.482 42.059 -0.681 0.000 1.128 232 L HN 0.174 nan 8.230 nan 0.000 0.483 233 F N 0.253 120.120 119.950 -0.138 0.000 2.532 233 F HA 0.442 4.957 4.527 -0.019 0.000 0.321 233 F C -1.443 174.313 175.800 -0.075 0.000 1.089 233 F CA -1.799 56.148 58.000 -0.089 0.000 0.926 233 F CB 1.274 40.237 39.000 -0.062 0.000 1.168 233 F HN -0.208 nan 8.300 nan 0.000 0.459 234 P HA 0.008 nan 4.420 nan 0.000 0.231 234 P C -0.781 176.555 177.300 0.058 0.000 1.168 234 P CA 1.019 64.150 63.100 0.050 0.000 0.779 234 P CB 0.269 31.988 31.700 0.031 0.000 0.844 235 D N -2.241 118.214 120.400 0.092 0.000 2.665 235 D HA 0.421 5.049 4.640 -0.019 0.000 0.287 235 D C -0.549 175.766 176.300 0.025 0.000 1.266 235 D CA -1.000 53.027 54.000 0.044 0.000 0.830 235 D CB 0.041 40.856 40.800 0.024 0.000 1.356 235 D HN -0.177 nan 8.370 nan 0.000 0.437 236 A N 0.141 122.953 122.820 -0.013 0.000 2.462 236 A HA 0.231 4.540 4.320 -0.019 0.000 0.261 236 A C 0.205 177.734 177.584 -0.092 0.000 1.323 236 A CA -0.456 51.547 52.037 -0.058 0.000 0.913 236 A CB -1.018 17.964 19.000 -0.030 0.000 1.028 236 A HN 0.403 nan 8.150 nan 0.000 0.511 237 N N 0.000 118.651 118.700 -0.082 0.000 1.763 237 N HA 0.000 4.729 4.740 -0.019 0.000 0.220 237 N CA 0.000 53.003 53.050 -0.078 0.000 0.885 237 N CB 0.000 38.461 38.487 -0.043 0.000 1.341 237 N HN 0.000 nan 8.380 nan 0.000 0.667