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 1n4s_1_L DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.918 176.870 0.080 0.000 1.165 18 L CA 0.000 54.871 54.840 0.052 0.000 0.813 18 L CB 0.000 42.078 42.059 0.032 0.000 0.961 19 D N -0.216 120.231 120.400 0.078 0.000 2.299 19 D HA 0.383 5.024 4.640 0.002 0.000 0.243 19 D C -0.865 175.543 176.300 0.180 0.000 0.982 19 D CA -0.390 53.681 54.000 0.118 0.000 0.924 19 D CB 1.772 42.616 40.800 0.074 0.000 1.238 19 D HN 0.184 nan 8.370 nan 0.000 0.484 20 F N 1.062 121.050 119.950 0.064 0.000 2.438 20 F HA 0.232 4.760 4.527 0.002 0.000 0.360 20 F C -0.274 175.560 175.800 0.056 0.000 1.118 20 F CA -1.123 56.944 58.000 0.113 0.000 1.164 20 F CB 0.350 39.431 39.000 0.134 0.000 1.131 20 F HN 0.140 nan 8.300 nan 0.000 0.527 21 L N 7.921 128.863 121.223 -0.468 0.000 2.533 21 L HA 0.177 4.518 4.340 0.002 0.000 0.239 21 L C 1.922 178.270 176.870 -0.870 0.000 1.376 21 L CA 0.468 54.945 54.840 -0.606 0.000 1.240 21 L CB -1.216 40.474 42.059 -0.615 0.000 1.487 21 L HN 0.685 nan 8.230 nan 0.000 0.419 22 R N 0.233 120.260 120.500 -0.789 0.000 2.113 22 R HA -0.222 4.119 4.340 0.002 0.000 0.244 22 R C 1.251 177.392 176.300 -0.266 0.000 1.142 22 R CA 2.123 57.916 56.100 -0.511 0.000 0.953 22 R CB 0.204 30.448 30.300 -0.094 0.000 0.860 22 R HN 0.458 nan 8.270 nan 0.000 0.438 23 D N -0.444 119.822 120.400 -0.223 0.000 2.117 23 D HA -0.169 4.472 4.640 0.002 0.000 0.197 23 D C 1.955 178.138 176.300 -0.195 0.000 0.987 23 D CA 1.066 54.977 54.000 -0.149 0.000 0.829 23 D CB -0.235 40.495 40.800 -0.118 0.000 0.961 23 D HN 0.286 nan 8.370 nan 0.000 0.460 24 R N -0.227 120.069 120.500 -0.340 0.000 2.092 24 R HA -0.121 4.220 4.340 0.002 0.000 0.231 24 R C 2.090 178.181 176.300 -0.348 0.000 1.119 24 R CA 1.002 56.886 56.100 -0.361 0.000 0.970 24 R CB 0.002 30.017 30.300 -0.476 0.000 0.864 24 R HN 0.291 nan 8.270 nan 0.000 0.440 25 H N -0.617 118.288 119.070 -0.275 0.000 2.423 25 H HA -0.053 4.504 4.556 0.002 0.000 0.297 25 H C 2.138 177.385 175.328 -0.135 0.000 1.075 25 H CA 1.296 57.157 56.048 -0.311 0.000 1.342 25 H CB -0.105 29.462 29.762 -0.324 0.000 1.395 25 H HN 0.055 nan 8.280 nan 0.000 0.530 26 V N 1.353 121.310 119.914 0.072 0.000 2.343 26 V HA -0.209 3.912 4.120 0.002 0.000 0.247 26 V C 2.641 178.801 176.094 0.109 0.000 1.051 26 V CA 1.464 63.856 62.300 0.154 0.000 1.036 26 V CB -0.203 31.671 31.823 0.085 0.000 0.654 26 V HN 0.312 nan 8.190 nan 0.000 0.451 27 R N -0.855 119.659 120.500 0.024 0.000 2.081 27 R HA -0.136 4.205 4.340 0.002 0.000 0.235 27 R C 2.200 178.504 176.300 0.008 0.000 1.131 27 R CA 1.723 57.823 56.100 0.000 0.000 0.960 27 R CB -0.953 29.323 30.300 -0.039 0.000 0.856 27 R HN 0.569 nan 8.270 nan 0.000 0.436 28 F N 0.771 120.635 119.950 -0.144 0.000 2.069 28 F HA -0.210 4.319 4.527 0.002 0.000 0.298 28 F C 2.046 177.793 175.800 -0.088 0.000 1.113 28 F CA 1.555 59.449 58.000 -0.178 0.000 1.214 28 F CB -0.524 38.295 39.000 -0.301 0.000 0.978 28 F HN -0.109 nan 8.300 nan 0.000 0.474 29 F N 0.347 120.381 119.950 0.140 0.000 2.134 29 F HA -0.254 4.274 4.527 0.003 0.000 0.299 29 F C 2.741 178.471 175.800 -0.116 0.000 1.097 29 F CA 1.254 59.261 58.000 0.012 0.000 1.264 29 F CB -0.701 38.358 39.000 0.099 0.000 1.001 29 F HN 0.101 nan 8.300 nan 0.000 0.479 30 Q N 0.925 120.787 119.800 0.103 0.000 2.096 30 Q HA -0.259 4.083 4.340 0.002 0.000 0.204 30 Q C 2.329 178.276 176.000 -0.088 0.000 0.982 30 Q CA 1.574 57.375 55.803 -0.003 0.000 0.850 30 Q CB -0.187 28.549 28.738 -0.005 0.000 0.901 30 Q HN 0.305 nan 8.270 nan 0.000 0.422 31 R N -0.646 119.765 120.500 -0.148 0.000 2.115 31 R HA -0.114 4.227 4.340 0.002 0.000 0.230 31 R C 2.177 178.317 176.300 -0.266 0.000 1.111 31 R CA 1.486 57.456 56.100 -0.217 0.000 0.976 31 R CB -0.251 29.884 30.300 -0.276 0.000 0.870 31 R HN 0.410 nan 8.270 nan 0.000 0.445 32 C N 0.335 119.453 119.300 -0.304 0.000 2.435 32 C HA -0.003 4.459 4.460 0.002 0.000 0.279 32 C C 2.116 176.992 174.990 -0.190 0.000 1.321 32 C CA 0.078 58.935 59.018 -0.268 0.000 1.752 32 C CB -0.694 26.938 27.740 -0.180 0.000 1.959 32 C HN 0.435 nan 8.230 nan 0.000 0.500 33 L N 0.735 121.861 121.223 -0.162 0.000 2.552 33 L HA 0.022 4.363 4.340 0.002 0.000 0.227 33 L C 2.015 178.762 176.870 -0.207 0.000 1.146 33 L CA 1.390 56.118 54.840 -0.187 0.000 0.858 33 L CB -1.422 40.540 42.059 -0.161 0.000 0.969 33 L HN 0.555 nan 8.230 nan 0.000 0.451 34 Q N -1.419 118.274 119.800 -0.179 0.000 2.349 34 Q HA 0.217 4.559 4.340 0.002 0.000 0.455 34 Q C -0.291 175.618 176.000 -0.152 0.000 1.031 34 Q CA 0.105 55.811 55.803 -0.161 0.000 0.693 34 Q CB 0.363 29.022 28.738 -0.133 0.000 3.634 34 Q HN 0.044 nan 8.270 nan 0.000 0.358 35 V N 1.413 121.250 119.914 -0.128 0.000 2.656 35 V HA 0.402 4.524 4.120 0.002 0.000 0.307 35 V C -0.891 175.145 176.094 -0.096 0.000 1.051 35 V CA -0.555 61.686 62.300 -0.099 0.000 0.893 35 V CB 1.718 33.499 31.823 -0.070 0.000 0.999 35 V HN 0.287 nan 8.190 nan 0.000 0.426 36 L N 4.997 126.180 121.223 -0.068 0.000 2.334 36 L HA 0.632 4.974 4.340 0.002 0.000 0.273 36 L C -2.305 174.616 176.870 0.086 0.000 1.013 36 L CA -1.814 53.000 54.840 -0.043 0.000 0.816 36 L CB 1.677 43.672 42.059 -0.105 0.000 1.278 36 L HN 0.431 nan 8.230 nan 0.000 0.431 37 P HA 0.031 nan 4.420 nan 0.000 0.271 37 P C 0.374 177.775 177.300 0.169 0.000 1.233 37 P CA -0.393 62.806 63.100 0.165 0.000 0.789 37 P CB 0.659 32.468 31.700 0.182 0.000 0.951 38 E N 1.085 121.332 120.200 0.078 0.000 2.333 38 E HA -0.224 4.127 4.350 0.002 0.000 0.198 38 E C 1.595 178.200 176.600 0.008 0.000 1.007 38 E CA 0.529 56.960 56.400 0.051 0.000 0.845 38 E CB 0.026 29.742 29.700 0.026 0.000 0.766 38 E HN 0.336 nan 8.360 nan 0.000 0.507 39 R N -0.694 119.764 120.500 -0.071 0.000 2.293 39 R HA -0.143 4.199 4.340 0.002 0.000 0.219 39 R C 0.614 176.709 176.300 -0.341 0.000 1.091 39 R CA 1.188 57.150 56.100 -0.231 0.000 1.004 39 R CB -0.390 29.702 30.300 -0.346 0.000 0.865 39 R HN 0.236 nan 8.270 nan 0.000 0.469 40 Y N 1.533 121.847 120.300 0.024 0.000 2.625 40 Y HA 0.165 4.716 4.550 0.002 0.000 0.285 40 Y C 1.964 177.881 175.900 0.028 0.000 1.168 40 Y CA 0.010 58.129 58.100 0.031 0.000 1.250 40 Y CB 0.587 39.064 38.460 0.027 0.000 1.130 40 Y HN 0.226 nan 8.280 nan 0.000 0.526 41 S N -0.773 114.985 115.700 0.097 0.000 2.419 41 S HA -0.233 4.239 4.470 0.002 0.000 0.235 41 S C 2.029 176.662 174.600 0.054 0.000 1.019 41 S CA 1.399 59.642 58.200 0.070 0.000 0.982 41 S CB -0.728 62.496 63.200 0.039 0.000 0.789 41 S HN 0.487 nan 8.310 nan 0.000 0.490 42 S N 1.191 116.923 115.700 0.054 0.000 2.603 42 S HA 0.215 4.687 4.470 0.002 0.000 0.229 42 S C 1.424 176.055 174.600 0.052 0.000 0.972 42 S CA 0.284 58.508 58.200 0.041 0.000 0.935 42 S CB -0.685 62.541 63.200 0.045 0.000 0.769 42 S HN 0.580 nan 8.310 nan 0.000 0.536 43 L N 0.437 121.711 121.223 0.086 0.000 2.585 43 L HA 0.243 4.585 4.340 0.002 0.000 0.226 43 L C 2.509 179.405 176.870 0.044 0.000 1.113 43 L CA 0.338 55.231 54.840 0.089 0.000 0.876 43 L CB -0.323 41.823 42.059 0.145 0.000 1.072 43 L HN 0.259 nan 8.230 nan 0.000 0.468 44 E N 1.400 121.614 120.200 0.023 0.000 2.086 44 E HA -0.294 4.057 4.350 0.002 0.000 0.205 44 E C 1.981 178.546 176.600 -0.059 0.000 1.027 44 E CA 2.553 58.956 56.400 0.004 0.000 0.830 44 E CB -0.293 29.396 29.700 -0.018 0.000 0.751 44 E HN 0.427 nan 8.360 nan 0.000 0.456 45 T N -2.437 111.994 114.554 -0.205 0.000 3.163 45 T HA 0.021 4.372 4.350 0.002 0.000 0.260 45 T C 0.866 175.478 174.700 -0.146 0.000 1.156 45 T CA 0.699 62.611 62.100 -0.314 0.000 1.072 45 T CB -0.332 68.229 68.868 -0.511 0.000 0.937 45 T HN 0.139 nan 8.240 nan 0.000 0.528 46 S N -0.654 115.006 115.700 -0.067 0.000 2.901 46 S HA 0.418 4.889 4.470 0.002 0.000 0.248 46 S C 1.024 175.632 174.600 0.014 0.000 1.021 46 S CA -0.958 57.208 58.200 -0.056 0.000 1.090 46 S CB 0.197 63.361 63.200 -0.061 0.000 1.039 46 S HN 0.312 nan 8.310 nan 0.000 0.514 47 R N 0.327 120.874 120.500 0.078 0.000 2.120 47 R HA 0.046 4.387 4.340 0.002 0.000 0.234 47 R C 1.940 178.359 176.300 0.199 0.000 1.123 47 R CA 1.082 57.272 56.100 0.150 0.000 0.975 47 R CB -0.398 30.052 30.300 0.250 0.000 0.866 47 R HN 0.388 nan 8.270 nan 0.000 0.446 48 L N 0.901 122.224 121.223 0.167 0.000 2.083 48 L HA -0.155 4.187 4.340 0.002 0.000 0.209 48 L C 2.307 179.152 176.870 -0.042 0.000 1.083 48 L CA 2.292 57.197 54.840 0.109 0.000 0.752 48 L CB -0.832 41.181 42.059 -0.076 0.000 0.899 48 L HN 0.277 nan 8.230 nan 0.000 0.433 49 T N -3.546 110.926 114.554 -0.136 0.000 2.995 49 T HA -0.069 4.282 4.350 0.002 0.000 0.269 49 T C 1.935 176.374 174.700 -0.435 0.000 1.091 49 T CA 0.842 62.740 62.100 -0.335 0.000 1.128 49 T CB -0.397 68.264 68.868 -0.345 0.000 0.891 49 T HN 0.187 nan 8.240 nan 0.000 0.492 50 I N 2.297 122.781 120.570 -0.142 0.000 2.252 50 I HA 0.049 4.221 4.170 0.002 0.000 0.245 50 I C 3.114 179.195 176.117 -0.060 0.000 1.102 50 I CA 1.038 62.333 61.300 -0.008 0.000 1.385 50 I CB -1.758 36.276 38.000 0.055 0.000 1.064 50 I HN 0.388 nan 8.210 nan 0.000 0.414 51 A N 0.829 123.620 122.820 -0.049 0.000 1.908 51 A HA -0.273 4.048 4.320 0.002 0.000 0.218 51 A C 2.307 179.795 177.584 -0.160 0.000 1.181 51 A CA 1.529 53.528 52.037 -0.064 0.000 0.627 51 A CB -1.127 17.931 19.000 0.096 0.000 0.818 51 A HN 0.389 nan 8.150 nan 0.000 0.445 52 F N -0.069 119.668 119.950 -0.356 0.000 2.095 52 F HA -0.190 4.338 4.527 0.002 0.000 0.298 52 F C 1.980 177.429 175.800 -0.585 0.000 1.104 52 F CA 1.741 59.441 58.000 -0.500 0.000 1.232 52 F CB -0.552 38.058 39.000 -0.651 0.000 0.987 52 F HN 0.257 nan 8.300 nan 0.000 0.475 53 F N 0.228 119.788 119.950 -0.649 0.000 2.126 53 F HA -0.220 4.309 4.527 0.002 0.000 0.299 53 F C 2.615 177.867 175.800 -0.914 0.000 1.096 53 F CA 0.700 58.140 58.000 -0.932 0.000 1.255 53 F CB -0.864 37.926 39.000 -0.350 0.000 0.997 53 F HN 0.134 nan 8.300 nan 0.000 0.479 54 A N 0.279 122.862 122.820 -0.396 0.000 1.897 54 A HA -0.071 4.250 4.320 0.002 0.000 0.215 54 A C 2.131 179.359 177.584 -0.593 0.000 1.181 54 A CA 1.092 52.841 52.037 -0.481 0.000 0.620 54 A CB -0.885 18.038 19.000 -0.129 0.000 0.821 54 A HN 0.352 nan 8.150 nan 0.000 0.443 55 L N -1.118 119.820 121.223 -0.476 0.000 2.044 55 L HA -0.097 4.245 4.340 0.002 0.000 0.205 55 L C 2.851 179.442 176.870 -0.466 0.000 1.075 55 L CA 1.460 56.071 54.840 -0.382 0.000 0.747 55 L CB -0.501 41.394 42.059 -0.273 0.000 0.903 55 L HN 0.439 nan 8.230 nan 0.000 0.435 56 S N -0.063 115.206 115.700 -0.719 0.000 2.423 56 S HA -0.105 4.366 4.470 0.002 0.000 0.231 56 S C 1.954 176.304 174.600 -0.417 0.000 1.014 56 S CA 1.203 59.014 58.200 -0.648 0.000 0.965 56 S CB -0.341 62.128 63.200 -1.218 0.000 0.785 56 S HN 0.523 nan 8.310 nan 0.000 0.495 57 G N 1.493 109.893 108.800 -0.666 0.000 2.404 57 G HA2 -0.090 3.872 3.960 0.002 0.000 0.215 57 G HA3 -0.090 3.872 3.960 0.002 0.000 0.215 57 G C 1.380 176.055 174.900 -0.374 0.000 1.174 57 G CA 0.763 45.450 45.100 -0.689 0.000 0.780 57 G HN 0.504 nan 8.290 nan 0.000 0.537 58 L N 0.407 121.398 121.223 -0.387 0.000 2.046 58 L HA -0.080 4.262 4.340 0.002 0.000 0.208 58 L C 2.585 179.427 176.870 -0.047 0.000 1.077 58 L CA 1.403 56.198 54.840 -0.075 0.000 0.747 58 L CB -0.366 41.650 42.059 -0.072 0.000 0.896 58 L HN 0.204 nan 8.230 nan 0.000 0.432 59 D N 0.078 120.411 120.400 -0.111 0.000 2.092 59 D HA -0.270 4.371 4.640 0.002 0.000 0.193 59 D C 2.142 178.426 176.300 -0.027 0.000 0.994 59 D CA 1.469 55.428 54.000 -0.068 0.000 0.828 59 D CB 0.006 40.746 40.800 -0.100 0.000 0.963 59 D HN 0.022 nan 8.370 nan 0.000 0.450 60 M N -0.359 119.222 119.600 -0.033 0.000 2.202 60 M HA -0.013 4.469 4.480 0.002 0.000 0.262 60 M C 1.440 177.767 176.300 0.045 0.000 1.063 60 M CA 1.240 56.536 55.300 -0.007 0.000 1.097 60 M CB -0.094 32.485 32.600 -0.035 0.000 1.382 60 M HN 0.115 nan 8.290 nan 0.000 0.413 61 L N -1.156 120.122 121.223 0.092 0.000 2.653 61 L HA 0.119 4.460 4.340 0.002 0.000 0.231 61 L C 0.167 177.097 176.870 0.101 0.000 1.153 61 L CA -0.216 54.714 54.840 0.151 0.000 0.933 61 L CB -0.510 41.694 42.059 0.242 0.000 1.175 61 L HN 0.244 nan 8.230 nan 0.000 0.473 62 D N 0.678 121.112 120.400 0.057 0.000 2.697 62 D HA -0.204 4.438 4.640 0.002 0.000 0.238 62 D C 0.167 176.492 176.300 0.040 0.000 1.152 62 D CA 0.732 54.755 54.000 0.039 0.000 0.666 62 D CB -0.659 40.165 40.800 0.041 0.000 1.037 62 D HN 0.241 nan 8.370 nan 0.000 0.423 63 S N -0.216 115.507 115.700 0.038 0.000 3.021 63 S HA 0.198 4.669 4.470 0.002 0.000 0.252 63 S C 1.550 176.160 174.600 0.016 0.000 0.996 63 S CA -0.597 57.625 58.200 0.036 0.000 1.084 63 S CB 0.220 63.459 63.200 0.064 0.000 1.021 63 S HN 0.372 nan 8.310 nan 0.000 0.566 64 L N 2.016 123.238 121.223 -0.002 0.000 2.353 64 L HA -0.134 4.207 4.340 0.002 0.000 0.220 64 L C 2.051 178.915 176.870 -0.010 0.000 1.133 64 L CA 1.065 55.894 54.840 -0.019 0.000 0.798 64 L CB -0.353 41.689 42.059 -0.028 0.000 0.922 64 L HN 0.459 nan 8.230 nan 0.000 0.445 65 D N 0.115 120.515 120.400 -0.001 0.000 2.263 65 D HA -0.161 4.480 4.640 0.002 0.000 0.208 65 D C 1.872 178.170 176.300 -0.003 0.000 0.971 65 D CA 1.495 55.495 54.000 -0.000 0.000 0.867 65 D CB -0.447 40.355 40.800 0.004 0.000 0.929 65 D HN 0.429 nan 8.370 nan 0.000 0.492 66 V N -0.655 119.258 119.914 -0.002 0.000 3.510 66 V HA 0.058 4.179 4.120 0.002 0.000 0.270 66 V C 0.916 177.000 176.094 -0.016 0.000 1.201 66 V CA 0.244 62.541 62.300 -0.006 0.000 1.166 66 V CB -1.053 30.771 31.823 0.002 0.000 0.825 66 V HN 0.172 nan 8.190 nan 0.000 0.484 67 V N -2.249 117.654 119.914 -0.019 0.000 3.046 67 V HA 0.613 4.735 4.120 0.002 0.000 0.316 67 V C -0.211 175.871 176.094 -0.020 0.000 1.104 67 V CA -0.988 61.295 62.300 -0.029 0.000 1.006 67 V CB 1.844 33.641 31.823 -0.043 0.000 1.058 67 V HN 0.248 nan 8.190 nan 0.000 0.440 68 N N 1.831 120.519 118.700 -0.021 0.000 2.521 68 N HA 0.260 5.002 4.740 0.002 0.000 0.236 68 N C 0.803 176.317 175.510 0.007 0.000 1.067 68 N CA -0.059 52.988 53.050 -0.005 0.000 0.939 68 N CB 0.926 39.409 38.487 -0.006 0.000 1.201 68 N HN 0.804 nan 8.380 nan 0.000 0.511 69 K N 1.620 122.027 120.400 0.012 0.000 2.044 69 K HA -0.154 4.168 4.320 0.002 0.000 0.210 69 K C 0.743 177.375 176.600 0.053 0.000 1.049 69 K CA 1.351 57.652 56.287 0.024 0.000 0.927 69 K CB 0.199 32.711 32.500 0.019 0.000 0.713 69 K HN 0.485 nan 8.250 nan 0.000 0.443 70 D N 1.150 121.584 120.400 0.056 0.000 2.123 70 D HA -0.161 4.480 4.640 0.002 0.000 0.196 70 D C 1.580 177.945 176.300 0.108 0.000 0.992 70 D CA 1.221 55.270 54.000 0.081 0.000 0.833 70 D CB -0.247 40.592 40.800 0.065 0.000 0.954 70 D HN 0.185 nan 8.370 nan 0.000 0.455 71 D N 0.604 121.057 120.400 0.087 0.000 2.097 71 D HA -0.072 4.569 4.640 0.002 0.000 0.195 71 D C 2.362 178.763 176.300 0.169 0.000 0.989 71 D CA 0.406 54.472 54.000 0.109 0.000 0.827 71 D CB -0.309 40.521 40.800 0.050 0.000 0.966 71 D HN 0.272 nan 8.370 nan 0.000 0.456 72 I N 0.823 121.469 120.570 0.127 0.000 2.286 72 I HA -0.216 3.956 4.170 0.002 0.000 0.248 72 I C 2.382 178.646 176.117 0.245 0.000 1.115 72 I CA 0.634 62.042 61.300 0.181 0.000 1.392 72 I CB -0.149 37.900 38.000 0.081 0.000 1.065 72 I HN -0.018 nan 8.210 nan 0.000 0.418 73 I N 0.462 121.136 120.570 0.173 0.000 2.286 73 I HA -0.240 3.931 4.170 0.002 0.000 0.248 73 I C 2.510 178.779 176.117 0.253 0.000 1.115 73 I CA 1.178 62.575 61.300 0.161 0.000 1.392 73 I CB -0.372 37.733 38.000 0.174 0.000 1.065 73 I HN 0.239 nan 8.210 nan 0.000 0.418 74 E N -0.096 120.282 120.200 0.296 0.000 2.106 74 E HA -0.250 4.101 4.350 0.002 0.000 0.192 74 E C 1.721 178.529 176.600 0.347 0.000 0.984 74 E CA 1.100 57.700 56.400 0.333 0.000 0.806 74 E CB -0.432 29.472 29.700 0.340 0.000 0.750 74 E HN 0.605 nan 8.360 nan 0.000 0.458 75 W N 1.816 123.248 121.300 0.219 0.000 2.355 75 W HA -0.119 4.542 4.660 0.002 0.000 0.309 75 W C 1.970 178.550 176.519 0.102 0.000 1.206 75 W CA 1.371 58.849 57.345 0.222 0.000 1.284 75 W CB -0.428 29.130 29.460 0.163 0.000 1.145 75 W HN -0.065 nan 8.180 nan 0.000 0.502 76 I N -0.598 119.971 120.570 -0.002 0.000 2.179 76 I HA -0.362 3.810 4.170 0.002 0.000 0.242 76 I C 2.069 178.077 176.117 -0.181 0.000 1.088 76 I CA 1.402 62.534 61.300 -0.280 0.000 1.357 76 I CB -0.886 36.988 38.000 -0.210 0.000 1.051 76 I HN -0.074 nan 8.210 nan 0.000 0.409 77 Y N 1.092 121.386 120.300 -0.010 0.000 2.403 77 Y HA -0.197 4.355 4.550 0.002 0.000 0.291 77 Y C 2.905 178.661 175.900 -0.241 0.000 1.143 77 Y CA 1.252 59.325 58.100 -0.045 0.000 1.257 77 Y CB -0.627 37.813 38.460 -0.034 0.000 0.984 77 Y HN 0.271 nan 8.280 nan 0.000 0.550 78 S N -1.078 114.484 115.700 -0.230 0.000 2.522 78 S HA -0.046 4.426 4.470 0.002 0.000 0.227 78 S C 1.517 175.892 174.600 -0.375 0.000 0.986 78 S CA 0.572 58.489 58.200 -0.471 0.000 0.929 78 S CB -0.605 62.087 63.200 -0.847 0.000 0.769 78 S HN 0.481 nan 8.310 nan 0.000 0.529 79 L N 0.531 121.551 121.223 -0.338 0.000 2.592 79 L HA 0.273 4.614 4.340 0.002 0.000 0.227 79 L C 1.304 177.979 176.870 -0.325 0.000 1.127 79 L CA -0.010 54.656 54.840 -0.289 0.000 0.884 79 L CB -0.202 41.680 42.059 -0.295 0.000 1.065 79 L HN 0.411 nan 8.230 nan 0.000 0.457 80 Q N 1.345 120.830 119.800 -0.526 0.000 2.304 80 Q HA 0.193 4.534 4.340 0.002 0.000 0.260 80 Q C -0.729 174.959 176.000 -0.519 0.000 0.965 80 Q CA -0.243 54.985 55.803 -0.958 0.000 0.898 80 Q CB 1.464 29.593 28.738 -1.015 0.000 1.196 80 Q HN -0.023 nan 8.270 nan 0.000 0.402 81 V N 6.883 126.524 119.914 -0.454 0.000 2.339 81 V HA 0.183 4.304 4.120 0.002 0.000 0.261 81 V C 0.178 176.124 176.094 -0.246 0.000 1.058 81 V CA -0.171 61.966 62.300 -0.272 0.000 0.897 81 V CB 0.194 31.901 31.823 -0.193 0.000 1.052 81 V HN 0.727 nan 8.190 nan 0.000 0.480 82 L N 7.876 128.975 121.223 -0.208 0.000 2.379 82 L HA 0.501 4.842 4.340 0.002 0.000 0.269 82 L C -1.877 174.919 176.870 -0.122 0.000 1.084 82 L CA -1.854 52.886 54.840 -0.166 0.000 0.802 82 L CB 1.544 43.510 42.059 -0.156 0.000 1.175 82 L HN 0.385 nan 8.230 nan 0.000 0.448 83 P HA 0.073 nan 4.420 nan 0.000 0.271 83 P C -0.524 176.732 177.300 -0.074 0.000 1.216 83 P CA -0.355 62.696 63.100 -0.082 0.000 0.776 83 P CB 0.642 32.298 31.700 -0.073 0.000 0.881 84 T N -1.737 112.779 114.554 -0.064 0.000 2.766 84 T HA 0.248 4.599 4.350 0.002 0.000 0.295 84 T C 1.756 176.425 174.700 -0.052 0.000 1.024 84 T CA 0.259 62.325 62.100 -0.056 0.000 1.018 84 T CB -0.253 68.585 68.868 -0.049 0.000 1.002 84 T HN 0.457 nan 8.240 nan 0.000 0.532 85 E N 1.159 121.331 120.200 -0.047 0.000 2.086 85 E HA -0.264 4.087 4.350 0.002 0.000 0.200 85 E C 1.518 178.094 176.600 -0.040 0.000 1.012 85 E CA 2.001 58.376 56.400 -0.043 0.000 0.812 85 E CB -1.465 28.213 29.700 -0.038 0.000 0.743 85 E HN 0.990 nan 8.360 nan 0.000 0.453 86 D N -0.649 119.727 120.400 -0.039 0.000 2.363 86 D HA -0.041 4.600 4.640 0.002 0.000 0.226 86 D C 0.372 176.649 176.300 -0.039 0.000 1.020 86 D CA 0.331 54.309 54.000 -0.036 0.000 0.892 86 D CB -0.489 40.291 40.800 -0.034 0.000 0.900 86 D HN 0.510 nan 8.370 nan 0.000 0.531 87 R N -0.082 120.392 120.500 -0.043 0.000 3.405 87 R HA -0.168 4.173 4.340 0.002 0.000 0.258 87 R C 0.416 176.690 176.300 -0.043 0.000 1.030 87 R CA 0.905 56.978 56.100 -0.045 0.000 0.691 87 R CB -2.904 27.369 30.300 -0.044 0.000 1.093 87 R HN 0.465 nan 8.270 nan 0.000 0.448 88 S N -0.212 115.462 115.700 -0.043 0.000 2.577 88 S HA 0.009 4.480 4.470 0.002 0.000 0.219 88 S C 0.893 175.466 174.600 -0.045 0.000 0.962 88 S CA 0.063 58.238 58.200 -0.042 0.000 0.921 88 S CB 0.156 63.331 63.200 -0.041 0.000 0.789 88 S HN 0.551 nan 8.310 nan 0.000 0.497 89 N N 1.045 119.716 118.700 -0.049 0.000 2.365 89 N HA 0.215 4.956 4.740 0.002 0.000 0.257 89 N C 0.790 176.269 175.510 -0.052 0.000 1.287 89 N CA -0.402 52.617 53.050 -0.051 0.000 0.882 89 N CB -0.511 37.943 38.487 -0.055 0.000 1.250 89 N HN 0.313 nan 8.380 nan 0.000 0.507 90 L N 0.251 121.445 121.223 -0.048 0.000 2.042 90 L HA -0.143 4.198 4.340 0.002 0.000 0.210 90 L C 0.923 177.768 176.870 -0.041 0.000 1.076 90 L CA 1.483 56.295 54.840 -0.047 0.000 0.749 90 L CB -0.294 41.741 42.059 -0.041 0.000 0.893 90 L HN 0.059 nan 8.230 nan 0.000 0.432 91 D N -0.054 120.324 120.400 -0.037 0.000 2.403 91 D HA -0.112 4.530 4.640 0.002 0.000 0.227 91 D C 1.542 177.822 176.300 -0.034 0.000 0.995 91 D CA 0.865 54.846 54.000 -0.031 0.000 0.928 91 D CB 0.015 40.796 40.800 -0.030 0.000 0.887 91 D HN 0.325 nan 8.370 nan 0.000 0.529 92 R N -0.907 119.568 120.500 -0.042 0.000 2.565 92 R HA 0.237 4.578 4.340 0.002 0.000 0.347 92 R C -0.109 176.158 176.300 -0.055 0.000 1.010 92 R CA -0.244 55.830 56.100 -0.044 0.000 1.126 92 R CB 0.441 30.714 30.300 -0.045 0.000 1.331 92 R HN 0.060 nan 8.270 nan 0.000 0.552 93 C N 0.689 119.953 119.300 -0.060 0.000 2.520 93 C HA 0.783 5.244 4.460 0.002 0.000 0.376 93 C C 1.386 176.339 174.990 -0.062 0.000 1.268 93 C CA 0.288 59.257 59.018 -0.083 0.000 2.414 93 C CB 0.979 28.666 27.740 -0.088 0.000 2.521 93 C HN 0.786 nan 8.230 nan 0.000 0.618 94 G N 0.636 109.375 108.800 -0.102 0.000 2.366 94 G HA2 0.261 4.222 3.960 0.002 0.000 0.190 94 G HA3 0.261 4.222 3.960 0.002 0.000 0.190 94 G C -1.631 173.202 174.900 -0.111 0.000 1.299 94 G CA -0.545 44.559 45.100 0.006 0.000 1.056 94 G HN 0.429 nan 8.290 nan 0.000 0.468 95 F N 1.256 121.162 119.950 -0.074 0.000 2.561 95 F HA 0.770 5.299 4.527 0.002 0.000 0.321 95 F C 0.893 176.648 175.800 -0.075 0.000 1.065 95 F CA -0.717 57.221 58.000 -0.104 0.000 0.934 95 F CB 2.109 41.021 39.000 -0.147 0.000 1.215 95 F HN 0.416 nan 8.300 nan 0.000 0.471 96 R N 0.106 120.642 120.500 0.060 0.000 2.549 96 R HA 0.487 4.828 4.340 0.002 0.000 0.267 96 R C 1.022 177.345 176.300 0.038 0.000 1.045 96 R CA -0.321 55.807 56.100 0.046 0.000 1.115 96 R CB 0.578 30.859 30.300 -0.030 0.000 1.121 96 R HN 0.906 nan 8.270 nan 0.000 0.543 97 G N -0.219 108.626 108.800 0.076 0.000 2.511 97 G HA2 -0.075 3.886 3.960 0.002 0.000 0.217 97 G HA3 -0.075 3.886 3.960 0.002 0.000 0.217 97 G C 0.259 175.199 174.900 0.067 0.000 1.133 97 G CA 0.844 45.954 45.100 0.018 0.000 0.792 97 G HN 0.629 nan 8.290 nan 0.000 0.539 98 S N -1.876 113.914 115.700 0.151 0.000 2.671 98 S HA 0.338 4.810 4.470 0.002 0.000 0.270 98 S C 0.286 174.987 174.600 0.168 0.000 1.166 98 S CA 0.478 58.795 58.200 0.194 0.000 0.868 98 S CB 0.691 64.070 63.200 0.298 0.000 1.190 98 S HN 0.517 nan 8.310 nan 0.000 0.494 99 S N 0.272 116.081 115.700 0.183 0.000 2.622 99 S HA 0.149 4.620 4.470 0.002 0.000 0.236 99 S C 1.207 175.842 174.600 0.059 0.000 0.956 99 S CA 0.124 58.369 58.200 0.074 0.000 0.971 99 S CB -1.347 61.934 63.200 0.136 0.000 0.782 99 S HN 1.035 nan 8.310 nan 0.000 0.468 100 Y N 0.372 120.696 120.300 0.041 0.000 2.556 100 Y HA 0.144 4.696 4.550 0.002 0.000 0.290 100 Y C 1.379 177.291 175.900 0.019 0.000 1.149 100 Y CA 0.154 58.277 58.100 0.037 0.000 1.329 100 Y CB -0.668 37.813 38.460 0.034 0.000 0.975 100 Y HN 0.322 nan 8.280 nan 0.000 0.561 101 L N 0.334 121.207 121.223 -0.584 0.000 2.418 101 L HA 0.176 4.518 4.340 0.002 0.000 0.218 101 L C 1.863 178.643 176.870 -0.150 0.000 1.125 101 L CA 0.981 55.558 54.840 -0.438 0.000 0.835 101 L CB -0.522 41.156 42.059 -0.636 0.000 0.953 101 L HN 0.652 nan 8.230 nan 0.000 0.454 102 G N 0.637 109.388 108.800 -0.083 0.000 2.141 102 G HA2 -0.260 3.701 3.960 0.002 0.000 0.231 102 G HA3 -0.260 3.701 3.960 0.002 0.000 0.231 102 G C 0.273 175.183 174.900 0.016 0.000 0.984 102 G CA -0.312 44.791 45.100 0.005 0.000 0.660 102 G HN 0.256 nan 8.290 nan 0.000 0.525 103 I N 3.150 123.701 120.570 -0.033 0.000 2.618 103 I HA 0.185 4.357 4.170 0.002 0.000 0.284 103 I C -0.771 175.356 176.117 0.016 0.000 1.146 103 I CA -1.497 59.795 61.300 -0.013 0.000 1.425 103 I CB 0.570 38.520 38.000 -0.082 0.000 1.383 103 I HN 0.029 nan 8.210 nan 0.000 0.562 104 P HA -0.102 nan 4.420 nan 0.000 0.262 104 P C -0.415 176.939 177.300 0.091 0.000 1.182 104 P CA -0.079 63.067 63.100 0.076 0.000 0.761 104 P CB 0.314 32.049 31.700 0.058 0.000 0.795 105 F N 3.779 123.734 119.950 0.008 0.000 2.580 105 F HA -0.009 4.520 4.527 0.003 0.000 0.398 105 F C 0.566 176.369 175.800 0.005 0.000 1.023 105 F CA 0.915 58.923 58.000 0.015 0.000 1.188 105 F CB -0.061 38.964 39.000 0.041 0.000 1.005 105 F HN 0.363 nan 8.300 nan 0.000 0.546 106 N N 7.687 126.069 118.700 -0.529 0.000 2.664 106 N HA 0.264 5.006 4.740 0.002 0.000 0.268 106 N C -2.940 172.294 175.510 -0.461 0.000 1.222 106 N CA -1.861 50.980 53.050 -0.349 0.000 0.805 106 N CB 1.302 39.684 38.487 -0.175 0.000 1.399 106 N HN 0.157 nan 8.380 nan 0.000 0.547 107 P HA 0.075 nan 4.420 nan 0.000 0.237 107 P C -0.655 176.550 177.300 -0.159 0.000 1.701 107 P CA 0.198 63.143 63.100 -0.258 0.000 0.955 107 P CB -0.619 31.029 31.700 -0.085 0.000 1.937 108 S N -1.194 114.400 115.700 -0.177 0.000 3.549 108 S HA -0.229 4.242 4.470 0.002 0.000 0.366 108 S C 1.359 175.849 174.600 -0.184 0.000 1.012 108 S CA 1.589 59.681 58.200 -0.180 0.000 1.141 108 S CB -1.592 61.497 63.200 -0.186 0.000 0.910 108 S HN 0.743 nan 8.310 nan 0.000 0.471 109 K N 0.836 121.150 120.400 -0.144 0.000 2.118 109 K HA 0.278 4.599 4.320 0.002 0.000 0.214 109 K C 0.469 177.012 176.600 -0.094 0.000 1.023 109 K CA 1.159 57.380 56.287 -0.110 0.000 0.948 109 K CB -0.704 31.752 32.500 -0.073 0.000 0.851 109 K HN 0.726 nan 8.250 nan 0.000 0.455 110 N N 1.427 120.079 118.700 -0.079 0.000 2.317 110 N HA 0.267 5.009 4.740 0.002 0.000 0.245 110 N C -2.134 173.328 175.510 -0.080 0.000 1.294 110 N CA -1.071 51.938 53.050 -0.067 0.000 0.924 110 N CB -0.002 38.455 38.487 -0.050 0.000 1.186 110 N HN 0.320 nan 8.380 nan 0.000 0.495 111 P HA 0.101 nan 4.420 nan 0.000 0.296 111 P C -0.076 177.177 177.300 -0.079 0.000 1.295 111 P CA -0.354 62.701 63.100 -0.075 0.000 0.754 111 P CB -0.090 31.573 31.700 -0.061 0.000 1.311 112 G N -0.644 108.108 108.800 -0.079 0.000 2.372 112 G HA2 0.449 4.411 3.960 0.002 0.000 0.283 112 G HA3 0.449 4.411 3.960 0.002 0.000 0.283 112 G C -0.182 174.684 174.900 -0.058 0.000 1.177 112 G CA -0.333 44.720 45.100 -0.080 0.000 0.842 112 G HN 0.551 nan 8.290 nan 0.000 0.503 113 T N -0.030 114.494 114.554 -0.050 0.000 2.747 113 T HA 0.583 4.934 4.350 0.002 0.000 0.301 113 T C 0.687 175.384 174.700 -0.005 0.000 0.952 113 T CA -0.150 61.935 62.100 -0.026 0.000 0.983 113 T CB 1.041 69.900 68.868 -0.015 0.000 0.930 113 T HN 0.997 nan 8.240 nan 0.000 0.494 114 A N 3.596 126.409 122.820 -0.012 0.000 2.598 114 A HA 0.246 4.567 4.320 0.002 0.000 0.239 114 A C 0.335 177.941 177.584 0.038 0.000 1.032 114 A CA 0.211 52.245 52.037 -0.005 0.000 0.760 114 A CB -0.262 18.719 19.000 -0.031 0.000 0.946 114 A HN 1.031 nan 8.150 nan 0.000 0.512 115 H N 3.318 122.348 119.070 -0.065 0.000 3.042 115 H HA 0.325 4.882 4.556 0.002 0.000 0.345 115 H C -2.401 172.874 175.328 -0.089 0.000 1.052 115 H CA -1.463 54.553 56.048 -0.053 0.000 1.311 115 H CB 1.924 31.662 29.762 -0.040 0.000 1.810 115 H HN 0.357 nan 8.280 nan 0.000 0.505 116 P HA -0.136 nan 4.420 nan 0.000 0.217 116 P C 0.058 177.119 177.300 -0.397 0.000 1.151 116 P CA 1.554 64.495 63.100 -0.265 0.000 0.849 116 P CB 0.099 31.586 31.700 -0.355 0.000 0.787 117 Y N -2.637 117.887 120.300 0.374 0.000 2.641 117 Y HA 0.261 4.813 4.550 0.002 0.000 0.248 117 Y C 0.246 176.135 175.900 -0.019 0.000 1.170 117 Y CA -0.993 57.198 58.100 0.152 0.000 1.201 117 Y CB -0.035 38.513 38.460 0.148 0.000 1.232 117 Y HN -0.149 nan 8.280 nan 0.000 0.537 118 D N 1.514 121.917 120.400 0.006 0.000 2.295 118 D HA 0.429 5.071 4.640 0.002 0.000 0.248 118 D C -0.143 176.114 176.300 -0.072 0.000 1.154 118 D CA 0.186 54.088 54.000 -0.163 0.000 0.857 118 D CB 0.761 41.401 40.800 -0.266 0.000 1.117 118 D HN 0.160 nan 8.370 nan 0.000 0.468 119 S N 1.671 117.337 115.700 -0.056 0.000 2.615 119 S HA 0.771 5.243 4.470 0.002 0.000 0.269 119 S C 0.141 174.732 174.600 -0.016 0.000 1.161 119 S CA -0.779 57.400 58.200 -0.036 0.000 0.817 119 S CB 0.909 64.103 63.200 -0.009 0.000 1.131 119 S HN 0.464 nan 8.310 nan 0.000 0.467 120 G N -0.030 108.761 108.800 -0.015 0.000 2.580 120 G HA2 0.509 4.471 3.960 0.002 0.000 0.278 120 G HA3 0.509 4.471 3.960 0.002 0.000 0.278 120 G C -0.863 174.078 174.900 0.068 0.000 1.212 120 G CA -0.305 44.812 45.100 0.027 0.000 0.939 120 G HN 0.875 nan 8.290 nan 0.000 0.513 121 H N 0.577 119.644 119.070 -0.005 0.000 2.744 121 H HA 0.229 4.786 4.556 0.002 0.000 0.339 121 H C 1.054 176.344 175.328 -0.063 0.000 1.004 121 H CA -0.715 55.306 56.048 -0.046 0.000 1.257 121 H CB 1.787 31.540 29.762 -0.016 0.000 1.552 121 H HN 0.383 nan 8.280 nan 0.000 0.522 122 I N 4.052 124.491 120.570 -0.217 0.000 2.185 122 I HA -0.349 3.823 4.170 0.002 0.000 0.246 122 I C 1.955 178.127 176.117 0.091 0.000 1.088 122 I CA 2.007 63.238 61.300 -0.115 0.000 1.347 122 I CB -0.076 37.749 38.000 -0.291 0.000 1.041 122 I HN 0.714 nan 8.210 nan 0.000 0.415 123 A N -0.127 122.870 122.820 0.294 0.000 2.015 123 A HA -0.154 4.167 4.320 0.002 0.000 0.219 123 A C 2.117 179.795 177.584 0.158 0.000 1.163 123 A CA 1.251 53.493 52.037 0.342 0.000 0.646 123 A CB -0.308 18.953 19.000 0.435 0.000 0.806 123 A HN 0.444 nan 8.150 nan 0.000 0.448 124 M N -0.866 118.820 119.600 0.143 0.000 2.287 124 M HA -0.011 4.470 4.480 0.002 0.000 0.266 124 M C 2.044 178.297 176.300 -0.080 0.000 1.079 124 M CA 1.576 56.863 55.300 -0.021 0.000 1.146 124 M CB -1.949 30.664 32.600 0.022 0.000 1.374 124 M HN 0.331 nan 8.290 nan 0.000 0.435 125 T N 0.475 115.051 114.554 0.036 0.000 2.746 125 T HA -0.175 4.176 4.350 0.002 0.000 0.267 125 T C 1.697 176.300 174.700 -0.163 0.000 1.039 125 T CA 1.503 63.607 62.100 0.007 0.000 1.142 125 T CB -0.471 68.464 68.868 0.111 0.000 0.866 125 T HN 0.357 nan 8.240 nan 0.000 0.444 126 Y N 2.973 123.155 120.300 -0.197 0.000 2.089 126 Y HA -0.203 4.348 4.550 0.002 0.000 0.282 126 Y C 2.720 178.408 175.900 -0.353 0.000 1.139 126 Y CA 1.937 59.887 58.100 -0.251 0.000 1.123 126 Y CB -1.256 37.080 38.460 -0.206 0.000 0.980 126 Y HN 0.297 nan 8.280 nan 0.000 0.493 127 T N -1.967 112.030 114.554 -0.929 0.000 2.833 127 T HA -0.054 4.298 4.350 0.002 0.000 0.269 127 T C 2.209 176.516 174.700 -0.655 0.000 1.054 127 T CA 1.132 62.583 62.100 -1.081 0.000 1.135 127 T CB -1.385 66.984 68.868 -0.833 0.000 0.869 127 T HN 0.446 nan 8.240 nan 0.000 0.466 128 G N 1.947 110.376 108.800 -0.619 0.000 2.453 128 G HA2 -0.053 3.908 3.960 0.002 0.000 0.215 128 G HA3 -0.053 3.908 3.960 0.002 0.000 0.215 128 G C 1.504 175.954 174.900 -0.750 0.000 1.201 128 G CA 0.754 45.389 45.100 -0.776 0.000 0.784 128 G HN 0.504 nan 8.290 nan 0.000 0.545 129 L N 0.572 121.367 121.223 -0.713 0.000 2.012 129 L HA -0.131 4.211 4.340 0.002 0.000 0.210 129 L C 3.116 179.821 176.870 -0.276 0.000 1.073 129 L CA 1.415 56.003 54.840 -0.420 0.000 0.748 129 L CB -0.538 41.379 42.059 -0.237 0.000 0.891 129 L HN 0.355 nan 8.230 nan 0.000 0.431 130 S N -0.927 114.584 115.700 -0.316 0.000 2.370 130 S HA -0.234 4.237 4.470 0.002 0.000 0.226 130 S C 2.177 176.712 174.600 -0.109 0.000 1.033 130 S CA 1.669 59.745 58.200 -0.206 0.000 1.011 130 S CB -0.329 62.622 63.200 -0.415 0.000 0.852 130 S HN 0.506 nan 8.310 nan 0.000 0.457 131 C N 1.002 120.211 119.300 -0.152 0.000 2.429 131 C HA 0.058 4.520 4.460 0.002 0.000 0.277 131 C C 2.530 177.451 174.990 -0.116 0.000 1.262 131 C CA 0.627 59.586 59.018 -0.098 0.000 1.733 131 C CB -1.568 26.105 27.740 -0.111 0.000 2.010 131 C HN 0.592 nan 8.230 nan 0.000 0.483 132 L N 0.372 121.488 121.223 -0.178 0.000 2.012 132 L HA -0.193 4.148 4.340 0.002 0.000 0.210 132 L C 2.380 179.215 176.870 -0.059 0.000 1.073 132 L CA 1.667 56.424 54.840 -0.139 0.000 0.748 132 L CB -0.555 41.383 42.059 -0.202 0.000 0.891 132 L HN 0.363 nan 8.230 nan 0.000 0.431 133 I N -0.295 120.240 120.570 -0.059 0.000 2.226 133 I HA -0.316 3.856 4.170 0.002 0.000 0.245 133 I C 2.417 178.513 176.117 -0.035 0.000 1.100 133 I CA 1.453 62.731 61.300 -0.036 0.000 1.374 133 I CB -0.229 37.745 38.000 -0.043 0.000 1.057 133 I HN 0.193 nan 8.210 nan 0.000 0.413 134 I N 0.516 121.060 120.570 -0.043 0.000 2.226 134 I HA -0.282 3.889 4.170 0.002 0.000 0.245 134 I C 2.184 178.275 176.117 -0.042 0.000 1.100 134 I CA 1.458 62.730 61.300 -0.048 0.000 1.374 134 I CB -0.241 37.712 38.000 -0.078 0.000 1.057 134 I HN 0.216 nan 8.210 nan 0.000 0.413 135 L N 0.358 121.559 121.223 -0.037 0.000 2.552 135 L HA 0.067 4.408 4.340 0.002 0.000 0.227 135 L C 1.623 178.495 176.870 0.002 0.000 1.146 135 L CA 0.742 55.572 54.840 -0.018 0.000 0.858 135 L CB -0.450 41.604 42.059 -0.009 0.000 0.969 135 L HN 0.549 nan 8.230 nan 0.000 0.451 136 G N -0.578 108.223 108.800 0.002 0.000 2.176 136 G HA2 -0.259 3.703 3.960 0.002 0.000 0.232 136 G HA3 -0.259 3.703 3.960 0.002 0.000 0.232 136 G C 0.191 175.115 174.900 0.040 0.000 0.986 136 G CA 0.102 45.211 45.100 0.014 0.000 0.643 136 G HN 0.401 nan 8.290 nan 0.000 0.522 137 D N 0.840 121.275 120.400 0.058 0.000 2.368 137 D HA 0.274 4.916 4.640 0.002 0.000 0.240 137 D C 1.011 177.384 176.300 0.121 0.000 1.169 137 D CA 0.641 54.708 54.000 0.112 0.000 0.906 137 D CB 0.695 41.588 40.800 0.156 0.000 1.187 137 D HN 0.258 nan 8.370 nan 0.000 0.435 138 D N 1.385 121.883 120.400 0.164 0.000 2.363 138 D HA 0.016 4.657 4.640 0.002 0.000 0.214 138 D C 1.053 177.545 176.300 0.320 0.000 1.093 138 D CA -0.306 53.817 54.000 0.205 0.000 0.837 138 D CB -0.067 40.847 40.800 0.190 0.000 0.948 138 D HN 0.261 nan 8.370 nan 0.000 0.507 139 L N 0.362 121.766 121.223 0.301 0.000 4.429 139 L HA -0.279 4.062 4.340 0.002 0.000 0.422 139 L C 1.731 178.734 176.870 0.222 0.000 1.149 139 L CA 0.980 56.016 54.840 0.327 0.000 0.972 139 L CB -2.989 39.300 42.059 0.382 0.000 2.059 139 L HN 0.315 nan 8.230 nan 0.000 0.870 140 S N -1.470 114.327 115.700 0.161 0.000 2.423 140 S HA -0.092 4.379 4.470 0.002 0.000 0.231 140 S C 1.697 176.277 174.600 -0.034 0.000 1.014 140 S CA 1.128 59.349 58.200 0.035 0.000 0.965 140 S CB -0.182 63.036 63.200 0.029 0.000 0.785 140 S HN 0.630 nan 8.310 nan 0.000 0.495 141 R N 0.687 121.144 120.500 -0.072 0.000 2.310 141 R HA 0.306 4.647 4.340 0.002 0.000 0.202 141 R C -0.531 175.750 176.300 -0.033 0.000 0.933 141 R CA -0.051 55.898 56.100 -0.252 0.000 1.054 141 R CB 0.118 29.906 30.300 -0.853 0.000 0.985 141 R HN 0.256 nan 8.270 nan 0.000 0.489 142 V N 1.819 121.828 119.914 0.158 0.000 2.461 142 V HA 0.007 4.128 4.120 0.002 0.000 0.275 142 V C 0.182 176.294 176.094 0.031 0.000 1.047 142 V CA -0.573 61.850 62.300 0.204 0.000 0.955 142 V CB 1.373 33.353 31.823 0.262 0.000 0.988 142 V HN 0.096 nan 8.190 nan 0.000 0.471 143 D N 5.082 125.475 120.400 -0.012 0.000 2.508 143 D HA 0.096 4.738 4.640 0.002 0.000 0.224 143 D C 1.264 177.534 176.300 -0.050 0.000 1.171 143 D CA -0.033 53.931 54.000 -0.059 0.000 1.006 143 D CB 0.514 41.265 40.800 -0.082 0.000 1.073 143 D HN 0.509 nan 8.370 nan 0.000 0.513 144 K N 1.622 121.979 120.400 -0.072 0.000 2.059 144 K HA -0.186 4.135 4.320 0.002 0.000 0.212 144 K C 1.462 178.019 176.600 -0.072 0.000 1.050 144 K CA 0.986 57.225 56.287 -0.081 0.000 0.927 144 K CB 0.233 32.634 32.500 -0.165 0.000 0.714 144 K HN 0.351 nan 8.250 nan 0.000 0.447 145 E N 0.437 120.588 120.200 -0.081 0.000 2.153 145 E HA -0.143 4.209 4.350 0.002 0.000 0.194 145 E C 2.011 178.581 176.600 -0.051 0.000 0.988 145 E CA 1.100 57.461 56.400 -0.065 0.000 0.811 145 E CB -0.191 29.470 29.700 -0.066 0.000 0.746 145 E HN 0.340 nan 8.360 nan 0.000 0.466 146 A N 0.691 123.478 122.820 -0.055 0.000 1.898 146 A HA -0.173 4.148 4.320 0.002 0.000 0.216 146 A C 2.642 180.201 177.584 -0.041 0.000 1.181 146 A CA 1.350 53.355 52.037 -0.054 0.000 0.620 146 A CB -0.910 18.048 19.000 -0.071 0.000 0.819 146 A HN 0.341 nan 8.150 nan 0.000 0.442 147 C N -0.623 118.660 119.300 -0.029 0.000 2.413 147 C HA -0.085 4.376 4.460 0.002 0.000 0.276 147 C C 2.652 177.635 174.990 -0.011 0.000 1.236 147 C CA 1.100 60.117 59.018 -0.003 0.000 1.735 147 C CB -1.536 26.227 27.740 0.039 0.000 2.031 147 C HN 0.627 nan 8.230 nan 0.000 0.474 148 L N 0.967 122.175 121.223 -0.024 0.000 2.083 148 L HA -0.148 4.194 4.340 0.002 0.000 0.209 148 L C 2.846 179.713 176.870 -0.005 0.000 1.083 148 L CA 1.532 56.358 54.840 -0.022 0.000 0.752 148 L CB -0.767 41.271 42.059 -0.035 0.000 0.899 148 L HN 0.352 nan 8.230 nan 0.000 0.433 149 A N 0.379 123.191 122.820 -0.014 0.000 1.898 149 A HA -0.083 4.239 4.320 0.002 0.000 0.216 149 A C 2.426 180.007 177.584 -0.004 0.000 1.181 149 A CA 1.586 53.617 52.037 -0.010 0.000 0.620 149 A CB -1.160 17.826 19.000 -0.023 0.000 0.819 149 A HN 0.420 nan 8.150 nan 0.000 0.442 150 G N -0.392 108.402 108.800 -0.009 0.000 2.418 150 G HA2 -0.168 3.793 3.960 0.002 0.000 0.217 150 G HA3 -0.168 3.793 3.960 0.002 0.000 0.217 150 G C 1.582 176.492 174.900 0.017 0.000 1.158 150 G CA 0.922 46.018 45.100 -0.007 0.000 0.771 150 G HN 0.404 nan 8.290 nan 0.000 0.545 151 L N -0.159 121.082 121.223 0.031 0.000 1.994 151 L HA -0.061 4.280 4.340 0.002 0.000 0.208 151 L C 3.247 180.220 176.870 0.171 0.000 1.071 151 L CA 1.241 56.131 54.840 0.083 0.000 0.745 151 L CB -0.282 41.799 42.059 0.037 0.000 0.892 151 L HN 0.203 nan 8.230 nan 0.000 0.431 152 R N -0.457 120.110 120.500 0.111 0.000 2.103 152 R HA -0.216 4.126 4.340 0.002 0.000 0.242 152 R C 2.178 178.496 176.300 0.029 0.000 1.142 152 R CA 1.468 57.620 56.100 0.086 0.000 0.960 152 R CB -0.520 29.805 30.300 0.041 0.000 0.858 152 R HN 0.441 nan 8.270 nan 0.000 0.439 153 A N 0.869 123.700 122.820 0.018 0.000 2.070 153 A HA -0.091 4.231 4.320 0.002 0.000 0.220 153 A C 2.030 179.601 177.584 -0.022 0.000 1.159 153 A CA 1.050 53.080 52.037 -0.011 0.000 0.656 153 A CB -0.324 18.668 19.000 -0.013 0.000 0.800 153 A HN 0.202 nan 8.150 nan 0.000 0.453 154 L N -0.958 120.279 121.223 0.024 0.000 2.418 154 L HA 0.023 4.365 4.340 0.002 0.000 0.218 154 L C 1.414 178.214 176.870 -0.117 0.000 1.125 154 L CA 0.055 54.914 54.840 0.031 0.000 0.835 154 L CB -0.231 41.923 42.059 0.158 0.000 0.953 154 L HN 0.494 nan 8.230 nan 0.000 0.454 155 Q N 1.438 121.029 119.800 -0.349 0.000 2.304 155 Q HA 0.305 4.646 4.340 0.002 0.000 0.260 155 Q C -0.517 175.231 176.000 -0.420 0.000 0.965 155 Q CA -0.136 55.173 55.803 -0.824 0.000 0.898 155 Q CB 0.886 29.038 28.738 -0.977 0.000 1.196 155 Q HN 0.246 nan 8.270 nan 0.000 0.402 156 L N 2.381 123.372 121.223 -0.387 0.000 2.448 156 L HA 0.203 4.544 4.340 0.002 0.000 0.258 156 L C 1.270 178.037 176.870 -0.173 0.000 1.104 156 L CA -0.585 54.130 54.840 -0.210 0.000 0.800 156 L CB 0.428 42.396 42.059 -0.152 0.000 1.241 156 L HN 0.740 nan 8.230 nan 0.000 0.472 157 E N 1.126 121.268 120.200 -0.097 0.000 2.118 157 E HA -0.253 4.099 4.350 0.002 0.000 0.195 157 E C 1.328 177.904 176.600 -0.039 0.000 0.992 157 E CA 1.774 58.137 56.400 -0.060 0.000 0.804 157 E CB -0.059 29.622 29.700 -0.031 0.000 0.741 157 E HN 0.725 nan 8.360 nan 0.000 0.458 158 D N -1.640 118.749 120.400 -0.019 0.000 2.378 158 D HA 0.014 4.656 4.640 0.002 0.000 0.227 158 D C 1.362 177.704 176.300 0.070 0.000 1.012 158 D CA 1.015 55.051 54.000 0.060 0.000 0.905 158 D CB -0.083 40.805 40.800 0.147 0.000 0.895 158 D HN 0.329 nan 8.370 nan 0.000 0.532 159 G N -0.230 108.523 108.800 -0.079 0.000 2.234 159 G HA2 -0.287 3.674 3.960 0.002 0.000 0.235 159 G HA3 -0.287 3.674 3.960 0.002 0.000 0.235 159 G C 0.539 175.268 174.900 -0.285 0.000 0.997 159 G CA 0.445 45.479 45.100 -0.109 0.000 0.623 159 G HN 0.829 nan 8.290 nan 0.000 0.514 160 S N -0.223 115.162 115.700 -0.525 0.000 2.652 160 S HA 0.820 5.292 4.470 0.002 0.000 0.267 160 S C -0.166 174.201 174.600 -0.388 0.000 1.201 160 S CA -0.316 57.498 58.200 -0.643 0.000 0.996 160 S CB 1.255 63.718 63.200 -1.228 0.000 1.054 160 S HN 0.561 nan 8.310 nan 0.000 0.561 161 F N -1.322 118.543 119.950 -0.143 0.000 2.593 161 F HA 0.591 5.119 4.527 0.002 0.000 0.320 161 F C 0.338 176.191 175.800 0.089 0.000 1.060 161 F CA -1.032 56.958 58.000 -0.016 0.000 0.940 161 F CB 1.490 40.505 39.000 0.025 0.000 1.268 161 F HN 0.669 nan 8.300 nan 0.000 0.475 162 C N 0.522 119.922 119.300 0.168 0.000 2.345 162 C HA 0.692 5.153 4.460 0.002 0.000 0.370 162 C C 1.488 176.293 174.990 -0.308 0.000 1.209 162 C CA -0.024 59.017 59.018 0.038 0.000 2.133 162 C CB 1.346 29.073 27.740 -0.022 0.000 2.293 162 C HN 0.976 nan 8.230 nan 0.000 0.544 163 A N 0.474 122.894 122.820 -0.666 0.000 1.984 163 A HA 0.362 4.683 4.320 0.002 0.000 0.214 163 A C 0.595 177.771 177.584 -0.680 0.000 1.173 163 A CA 1.198 52.554 52.037 -1.136 0.000 0.673 163 A CB -0.194 17.875 19.000 -1.551 0.000 0.830 163 A HN 1.240 nan 8.150 nan 0.000 0.453 164 V N -4.813 114.881 119.914 -0.368 0.000 2.876 164 V HA 0.502 4.624 4.120 0.002 0.000 0.312 164 V C -2.352 173.688 176.094 -0.089 0.000 1.085 164 V CA -1.673 60.517 62.300 -0.184 0.000 0.945 164 V CB 1.828 33.597 31.823 -0.090 0.000 1.017 164 V HN 0.071 nan 8.190 nan 0.000 0.428 165 P HA -0.110 nan 4.420 nan 0.000 0.219 165 P C 0.906 178.201 177.300 -0.009 0.000 1.146 165 P CA 1.328 64.411 63.100 -0.029 0.000 0.808 165 P CB 0.425 32.110 31.700 -0.026 0.000 0.779 166 E N -0.180 120.028 120.200 0.013 0.000 2.409 166 E HA 0.221 4.572 4.350 0.002 0.000 0.198 166 E C 1.132 177.752 176.600 0.034 0.000 1.024 166 E CA 0.862 57.288 56.400 0.042 0.000 0.861 166 E CB -0.636 29.119 29.700 0.092 0.000 0.788 166 E HN 0.358 nan 8.360 nan 0.000 0.521 167 G N -0.475 108.333 108.800 0.012 0.000 2.674 167 G HA2 0.202 4.163 3.960 0.002 0.000 0.686 167 G HA3 0.202 4.163 3.960 0.002 0.000 0.686 167 G C -0.248 174.667 174.900 0.025 0.000 1.195 167 G CA -0.469 44.640 45.100 0.015 0.000 0.776 167 G HN 0.630 nan 8.290 nan 0.000 0.654 168 S N -0.589 115.133 115.700 0.036 0.000 2.671 168 S HA 0.729 5.200 4.470 0.002 0.000 0.270 168 S C -0.448 174.219 174.600 0.111 0.000 1.166 168 S CA 0.108 58.351 58.200 0.072 0.000 0.868 168 S CB 1.299 64.531 63.200 0.053 0.000 1.190 168 S HN 2.100 nan 8.310 nan 0.000 0.494 169 E N 1.519 121.819 120.200 0.167 0.000 2.408 169 E HA 0.288 4.640 4.350 0.002 0.000 0.259 169 E C -0.834 175.917 176.600 0.252 0.000 1.110 169 E CA -0.369 56.133 56.400 0.171 0.000 0.929 169 E CB 0.029 29.822 29.700 0.155 0.000 0.971 169 E HN 0.737 nan 8.360 nan 0.000 0.438 170 N N 0.892 119.694 118.700 0.170 0.000 2.295 170 N HA 0.387 5.129 4.740 0.002 0.000 0.293 170 N C -1.380 174.171 175.510 0.069 0.000 1.040 170 N CA -0.549 52.608 53.050 0.180 0.000 0.840 170 N CB 2.038 40.574 38.487 0.082 0.000 1.468 170 N HN 0.630 nan 8.380 nan 0.000 0.478 171 D N -0.156 120.242 120.400 -0.003 0.000 2.792 171 D HA 0.134 4.775 4.640 0.002 0.000 0.335 171 D C 0.673 176.956 176.300 -0.027 0.000 1.353 171 D CA -0.686 53.308 54.000 -0.011 0.000 0.839 171 D CB 0.516 41.274 40.800 -0.069 0.000 1.396 171 D HN 0.189 nan 8.370 nan 0.000 0.479 172 M N 0.105 119.769 119.600 0.107 0.000 2.144 172 M HA -0.007 4.474 4.480 0.002 0.000 0.260 172 M C 1.830 178.140 176.300 0.016 0.000 1.067 172 M CA 1.845 57.223 55.300 0.130 0.000 1.095 172 M CB -0.409 32.256 32.600 0.109 0.000 1.365 172 M HN 0.471 nan 8.290 nan 0.000 0.406 173 R N -1.333 119.070 120.500 -0.161 0.000 2.103 173 R HA -0.177 4.165 4.340 0.002 0.000 0.242 173 R C 2.078 178.391 176.300 0.021 0.000 1.142 173 R CA 2.071 58.072 56.100 -0.164 0.000 0.960 173 R CB -0.735 29.303 30.300 -0.437 0.000 0.858 173 R HN 0.438 nan 8.270 nan 0.000 0.439 174 F N -0.393 119.603 119.950 0.077 0.000 2.456 174 F HA -0.077 4.452 4.527 0.002 0.000 0.298 174 F C 2.234 177.966 175.800 -0.113 0.000 1.104 174 F CA -0.139 57.866 58.000 0.008 0.000 1.435 174 F CB 0.021 39.051 39.000 0.049 0.000 1.078 174 F HN -0.170 nan 8.300 nan 0.000 0.546 175 V N -0.368 119.630 119.914 0.139 0.000 2.427 175 V HA -0.321 3.800 4.120 0.002 0.000 0.248 175 V C 2.038 178.118 176.094 -0.024 0.000 1.051 175 V CA 1.754 64.091 62.300 0.063 0.000 1.048 175 V CB -0.752 31.191 31.823 0.200 0.000 0.666 175 V HN 0.385 nan 8.190 nan 0.000 0.456 176 Y N 0.329 120.592 120.300 -0.061 0.000 2.200 176 Y HA -0.258 4.294 4.550 0.003 0.000 0.290 176 Y C 2.536 178.300 175.900 -0.226 0.000 1.137 176 Y CA 1.632 59.672 58.100 -0.101 0.000 1.163 176 Y CB -0.726 37.711 38.460 -0.039 0.000 0.988 176 Y HN 0.242 nan 8.280 nan 0.000 0.518 177 C N 0.381 119.490 119.300 -0.319 0.000 2.432 177 C HA -0.136 4.325 4.460 0.002 0.000 0.277 177 C C 3.083 177.787 174.990 -0.477 0.000 1.249 177 C CA 1.260 59.985 59.018 -0.488 0.000 1.725 177 C CB -1.765 25.919 27.740 -0.093 0.000 2.028 177 C HN 0.735 nan 8.230 nan 0.000 0.477 178 A N 0.462 122.977 122.820 -0.510 0.000 1.908 178 A HA -0.181 4.141 4.320 0.002 0.000 0.218 178 A C 2.261 179.583 177.584 -0.437 0.000 1.181 178 A CA 2.416 54.076 52.037 -0.628 0.000 0.627 178 A CB -0.853 17.300 19.000 -1.411 0.000 0.818 178 A HN 0.568 nan 8.150 nan 0.000 0.445 179 S N -0.892 114.607 115.700 -0.334 0.000 2.356 179 S HA -0.206 4.265 4.470 0.002 0.000 0.223 179 S C 1.957 176.380 174.600 -0.295 0.000 1.032 179 S CA 1.462 59.577 58.200 -0.141 0.000 1.005 179 S CB -0.732 62.496 63.200 0.047 0.000 0.867 179 S HN 0.722 nan 8.310 nan 0.000 0.449 180 C N 1.306 120.324 119.300 -0.470 0.000 2.429 180 C HA 0.015 4.476 4.460 0.002 0.000 0.277 180 C C 2.443 177.323 174.990 -0.183 0.000 1.262 180 C CA 0.251 59.043 59.018 -0.377 0.000 1.733 180 C CB -1.380 25.939 27.740 -0.703 0.000 2.010 180 C HN 0.545 nan 8.230 nan 0.000 0.483 181 I N 0.109 120.537 120.570 -0.237 0.000 2.179 181 I HA -0.238 3.933 4.170 0.002 0.000 0.242 181 I C 2.570 178.538 176.117 -0.247 0.000 1.088 181 I CA 1.476 62.679 61.300 -0.161 0.000 1.357 181 I CB -0.529 37.378 38.000 -0.156 0.000 1.051 181 I HN 0.365 nan 8.210 nan 0.000 0.409 182 C N -0.270 118.747 119.300 -0.473 0.000 2.425 182 C HA -0.227 4.234 4.460 0.002 0.000 0.277 182 C C 2.791 177.277 174.990 -0.840 0.000 1.280 182 C CA 0.687 59.222 59.018 -0.806 0.000 1.744 182 C CB -1.056 25.840 27.740 -1.407 0.000 1.989 182 C HN 0.510 nan 8.230 nan 0.000 0.491 183 Y N 1.048 120.903 120.300 -0.741 0.000 2.163 183 Y HA -0.174 4.378 4.550 0.003 0.000 0.288 183 Y C 2.498 178.395 175.900 -0.005 0.000 1.136 183 Y CA 1.743 59.696 58.100 -0.245 0.000 1.147 183 Y CB -0.365 38.093 38.460 -0.002 0.000 0.987 183 Y HN 0.233 nan 8.280 nan 0.000 0.509 184 M N -0.597 119.097 119.600 0.157 0.000 2.175 184 M HA -0.190 4.291 4.480 0.002 0.000 0.264 184 M C 1.708 178.185 176.300 0.295 0.000 1.063 184 M CA 1.467 56.895 55.300 0.213 0.000 1.119 184 M CB -0.297 32.386 32.600 0.139 0.000 1.377 184 M HN 0.250 nan 8.290 nan 0.000 0.415 185 L N 0.017 121.310 121.223 0.117 0.000 2.599 185 L HA 0.019 4.361 4.340 0.002 0.000 0.230 185 L C 0.415 177.331 176.870 0.077 0.000 1.141 185 L CA -0.198 54.740 54.840 0.164 0.000 0.877 185 L CB -0.858 41.198 42.059 -0.005 0.000 1.009 185 L HN 0.426 nan 8.230 nan 0.000 0.447 186 N N 2.115 120.728 118.700 -0.146 0.000 2.707 186 N HA -0.265 4.476 4.740 0.002 0.000 0.253 186 N C -0.517 174.884 175.510 -0.182 0.000 0.998 186 N CA 0.465 53.292 53.050 -0.372 0.000 0.751 186 N CB -0.903 37.098 38.487 -0.811 0.000 0.920 186 N HN 0.462 nan 8.380 nan 0.000 0.539 187 N N -0.106 118.444 118.700 -0.249 0.000 2.578 187 N HA 0.161 4.903 4.740 0.002 0.000 0.282 187 N C -0.770 174.592 175.510 -0.246 0.000 1.119 187 N CA -0.498 52.475 53.050 -0.129 0.000 0.948 187 N CB 0.083 38.516 38.487 -0.091 0.000 1.546 187 N HN 0.248 nan 8.380 nan 0.000 0.525 188 W N 1.948 123.251 121.300 0.005 0.000 3.400 188 W HA 0.164 4.825 4.660 0.002 0.000 0.347 188 W C 1.831 178.368 176.519 0.029 0.000 1.218 188 W CA -0.150 57.209 57.345 0.024 0.000 1.837 188 W CB 0.092 29.570 29.460 0.031 0.000 1.067 188 W HN 0.640 nan 8.180 nan 0.000 0.701 189 S N -1.332 114.445 115.700 0.128 0.000 2.555 189 S HA -0.002 4.470 4.470 0.002 0.000 0.230 189 S C 1.952 176.600 174.600 0.079 0.000 0.978 189 S CA 0.838 59.095 58.200 0.096 0.000 0.934 189 S CB -0.419 62.810 63.200 0.049 0.000 0.766 189 S HN 0.269 nan 8.310 nan 0.000 0.533 190 G N 1.379 110.212 108.800 0.055 0.000 2.598 190 G HA2 0.302 4.264 3.960 0.002 0.000 0.215 190 G HA3 0.302 4.264 3.960 0.002 0.000 0.215 190 G C 0.361 175.358 174.900 0.160 0.000 1.131 190 G CA 0.579 45.711 45.100 0.053 0.000 0.785 190 G HN 0.751 nan 8.290 nan 0.000 0.539 191 M N -2.316 117.413 119.600 0.216 0.000 2.644 191 M HA 0.470 4.951 4.480 0.002 0.000 0.273 191 M C -2.174 174.259 176.300 0.222 0.000 1.253 191 M CA -1.036 54.448 55.300 0.306 0.000 0.852 191 M CB 2.109 35.008 32.600 0.498 0.000 1.708 191 M HN -0.180 nan 8.290 nan 0.000 0.471 192 D N 2.272 122.766 120.400 0.157 0.000 2.468 192 D HA 0.240 4.882 4.640 0.002 0.000 0.218 192 D C 0.633 177.005 176.300 0.120 0.000 1.155 192 D CA -0.139 53.919 54.000 0.096 0.000 0.924 192 D CB 0.905 41.722 40.800 0.028 0.000 1.029 192 D HN 0.859 nan 8.370 nan 0.000 0.515 193 M N 3.436 123.118 119.600 0.137 0.000 2.144 193 M HA -0.222 4.259 4.480 0.002 0.000 0.260 193 M C 1.889 178.220 176.300 0.052 0.000 1.067 193 M CA 1.548 56.914 55.300 0.109 0.000 1.095 193 M CB 0.128 32.750 32.600 0.038 0.000 1.365 193 M HN 0.262 nan 8.290 nan 0.000 0.406 194 K N 0.153 120.570 120.400 0.028 0.000 2.063 194 K HA -0.210 4.111 4.320 0.002 0.000 0.208 194 K C 1.784 178.397 176.600 0.021 0.000 1.048 194 K CA 1.674 57.965 56.287 0.007 0.000 0.928 194 K CB -0.016 32.484 32.500 0.000 0.000 0.713 194 K HN 0.376 nan 8.250 nan 0.000 0.442 195 K N -0.223 120.197 120.400 0.034 0.000 2.103 195 K HA -0.043 4.279 4.320 0.002 0.000 0.204 195 K C 2.118 178.767 176.600 0.082 0.000 1.052 195 K CA 0.918 57.227 56.287 0.038 0.000 0.945 195 K CB -0.024 32.479 32.500 0.004 0.000 0.722 195 K HN 0.192 nan 8.250 nan 0.000 0.443 196 A N 1.576 124.464 122.820 0.112 0.000 1.902 196 A HA -0.139 4.182 4.320 0.002 0.000 0.217 196 A C 2.086 179.769 177.584 0.166 0.000 1.181 196 A CA 1.213 53.363 52.037 0.188 0.000 0.623 196 A CB -0.558 18.604 19.000 0.269 0.000 0.818 196 A HN 0.157 nan 8.150 nan 0.000 0.443 197 I N -0.564 120.055 120.570 0.081 0.000 2.208 197 I HA -0.237 3.934 4.170 0.002 0.000 0.245 197 I C 2.847 178.962 176.117 -0.003 0.000 1.097 197 I CA 1.547 62.850 61.300 0.004 0.000 1.363 197 I CB -0.229 37.737 38.000 -0.056 0.000 1.051 197 I HN 0.431 nan 8.210 nan 0.000 0.413 198 S N 0.045 115.761 115.700 0.027 0.000 2.368 198 S HA -0.272 4.200 4.470 0.002 0.000 0.225 198 S C 2.167 176.800 174.600 0.054 0.000 1.030 198 S CA 1.356 59.569 58.200 0.021 0.000 0.999 198 S CB -0.433 62.787 63.200 0.032 0.000 0.844 198 S HN 0.499 nan 8.310 nan 0.000 0.459 199 Y N 1.714 122.016 120.300 0.004 0.000 2.181 199 Y HA -0.033 4.518 4.550 0.002 0.000 0.288 199 Y C 1.905 177.819 175.900 0.024 0.000 1.146 199 Y CA 1.751 59.862 58.100 0.019 0.000 1.164 199 Y CB -0.337 38.148 38.460 0.042 0.000 0.982 199 Y HN 0.300 nan 8.280 nan 0.000 0.515 200 I N -0.287 120.354 120.570 0.119 0.000 2.226 200 I HA -0.322 3.849 4.170 0.002 0.000 0.245 200 I C 2.558 178.678 176.117 0.006 0.000 1.100 200 I CA 1.403 62.738 61.300 0.058 0.000 1.374 200 I CB -0.431 37.621 38.000 0.086 0.000 1.057 200 I HN 0.154 nan 8.210 nan 0.000 0.413 201 R N 0.633 121.110 120.500 -0.038 0.000 2.073 201 R HA -0.125 4.216 4.340 0.002 0.000 0.234 201 R C 2.364 178.660 176.300 -0.007 0.000 1.134 201 R CA 1.322 57.423 56.100 0.001 0.000 0.952 201 R CB -0.299 29.956 30.300 -0.075 0.000 0.850 201 R HN 0.313 nan 8.270 nan 0.000 0.433 202 R N 0.396 120.843 120.500 -0.089 0.000 2.293 202 R HA -0.061 4.281 4.340 0.002 0.000 0.219 202 R C 2.097 178.286 176.300 -0.186 0.000 1.091 202 R CA 1.347 57.372 56.100 -0.126 0.000 1.004 202 R CB -0.024 30.190 30.300 -0.143 0.000 0.865 202 R HN 0.245 nan 8.270 nan 0.000 0.469 203 S N -0.421 115.141 115.700 -0.231 0.000 2.558 203 S HA 0.018 4.489 4.470 0.002 0.000 0.217 203 S C 0.872 175.372 174.600 -0.166 0.000 0.975 203 S CA -0.303 57.752 58.200 -0.242 0.000 0.912 203 S CB 0.030 63.057 63.200 -0.289 0.000 0.776 203 S HN 0.181 nan 8.310 nan 0.000 0.526 204 M N 3.196 122.730 119.600 -0.110 0.000 2.246 204 M HA 0.216 4.697 4.480 0.002 0.000 0.350 204 M C 0.368 176.574 176.300 -0.157 0.000 1.406 204 M CA 0.003 55.216 55.300 -0.145 0.000 1.089 204 M CB 0.700 33.256 32.600 -0.074 0.000 1.782 204 M HN 0.348 nan 8.290 nan 0.000 0.457 205 S N 3.660 119.209 115.700 -0.252 0.000 2.655 205 S HA 0.179 4.650 4.470 0.002 0.000 0.265 205 S C 0.737 175.202 174.600 -0.225 0.000 1.240 205 S CA -0.432 57.620 58.200 -0.247 0.000 0.986 205 S CB 0.505 63.459 63.200 -0.411 0.000 0.985 205 S HN 0.740 nan 8.310 nan 0.000 0.562 206 Y N 0.667 120.926 120.300 -0.068 0.000 2.421 206 Y HA 0.084 4.636 4.550 0.002 0.000 0.292 206 Y C 1.470 177.356 175.900 -0.023 0.000 1.136 206 Y CA 1.212 59.289 58.100 -0.038 0.000 1.255 206 Y CB -0.711 37.737 38.460 -0.019 0.000 0.991 206 Y HN 0.639 nan 8.280 nan 0.000 0.552 207 D N -1.018 118.894 120.400 -0.813 0.000 2.328 207 D HA -0.048 4.593 4.640 0.002 0.000 0.226 207 D C 0.181 176.367 176.300 -0.191 0.000 1.066 207 D CA 0.439 54.205 54.000 -0.391 0.000 0.861 207 D CB -0.644 39.918 40.800 -0.397 0.000 0.912 207 D HN 0.436 nan 8.370 nan 0.000 0.521 208 N N -1.113 117.408 118.700 -0.297 0.000 2.965 208 N HA -0.099 4.643 4.740 0.002 0.000 0.232 208 N C 0.692 175.891 175.510 -0.519 0.000 0.913 208 N CA 1.200 54.079 53.050 -0.286 0.000 0.981 208 N CB -1.574 36.851 38.487 -0.103 0.000 1.077 208 N HN 0.493 nan 8.380 nan 0.000 0.589 209 G N -0.082 108.096 108.800 -1.037 0.000 2.557 209 G HA2 0.608 4.570 3.960 0.002 0.000 0.292 209 G HA3 0.608 4.570 3.960 0.002 0.000 0.292 209 G C -0.315 174.070 174.900 -0.858 0.000 1.237 209 G CA -0.358 43.818 45.100 -1.539 0.000 0.978 209 G HN 0.030 nan 8.290 nan 0.000 0.498 210 L N 0.260 121.059 121.223 -0.706 0.000 2.317 210 L HA 0.696 5.038 4.340 0.002 0.000 0.281 210 L C 0.778 177.458 176.870 -0.317 0.000 1.024 210 L CA -0.669 53.942 54.840 -0.382 0.000 0.810 210 L CB 1.140 43.063 42.059 -0.225 0.000 1.240 210 L HN 0.712 nan 8.230 nan 0.000 0.427 211 A N 2.133 124.817 122.820 -0.225 0.000 2.263 211 A HA 0.502 4.823 4.320 0.002 0.000 0.318 211 A C 0.794 178.321 177.584 -0.095 0.000 1.111 211 A CA -0.310 51.639 52.037 -0.146 0.000 0.901 211 A CB 0.612 19.535 19.000 -0.129 0.000 1.280 211 A HN 0.699 nan 8.150 nan 0.000 0.503 212 Q N -0.676 119.086 119.800 -0.063 0.000 2.224 212 Q HA 0.086 4.428 4.340 0.002 0.000 0.203 212 Q C 0.738 176.766 176.000 0.047 0.000 0.970 212 Q CA 1.396 57.186 55.803 -0.022 0.000 0.865 212 Q CB 0.025 28.735 28.738 -0.047 0.000 0.922 212 Q HN 0.898 nan 8.270 nan 0.000 0.445 213 G N -1.394 107.384 108.800 -0.038 0.000 2.576 213 G HA2 0.505 4.466 3.960 0.002 0.000 0.290 213 G HA3 0.505 4.466 3.960 0.002 0.000 0.290 213 G C -1.542 173.264 174.900 -0.158 0.000 1.442 213 G CA -0.385 44.648 45.100 -0.111 0.000 0.792 213 G HN 0.141 nan 8.290 nan 0.000 0.491 214 A N -0.789 121.906 122.820 -0.208 0.000 2.584 214 A HA 0.506 4.827 4.320 0.002 0.000 0.239 214 A C 1.804 179.353 177.584 -0.058 0.000 1.043 214 A CA 1.867 53.824 52.037 -0.133 0.000 0.756 214 A CB -0.391 18.543 19.000 -0.111 0.000 0.963 214 A HN 2.857 nan 8.150 nan 0.000 0.511 215 G N 0.827 109.604 108.800 -0.038 0.000 2.304 215 G HA2 -0.201 3.760 3.960 0.002 0.000 0.252 215 G HA3 -0.201 3.760 3.960 0.002 0.000 0.252 215 G C 0.189 175.096 174.900 0.012 0.000 1.014 215 G CA 0.460 45.561 45.100 0.002 0.000 0.619 215 G HN 0.795 nan 8.290 nan 0.000 0.525 216 L N 1.232 122.447 121.223 -0.013 0.000 2.475 216 L HA 0.480 4.822 4.340 0.002 0.000 0.253 216 L C 1.059 177.921 176.870 -0.014 0.000 1.198 216 L CA -0.616 54.220 54.840 -0.006 0.000 0.814 216 L CB 0.610 42.659 42.059 -0.017 0.000 1.134 216 L HN 0.466 nan 8.230 nan 0.000 0.478 217 E N 0.317 120.521 120.200 0.007 0.000 2.376 217 E HA 0.104 4.455 4.350 0.002 0.000 0.266 217 E C -0.346 176.233 176.600 -0.035 0.000 1.009 217 E CA -0.393 56.011 56.400 0.007 0.000 0.902 217 E CB 0.666 30.398 29.700 0.053 0.000 0.972 217 E HN 0.638 nan 8.360 nan 0.000 0.439 218 S N 4.424 120.047 115.700 -0.129 0.000 2.572 218 S HA 0.080 4.552 4.470 0.002 0.000 0.279 218 S C -0.186 174.383 174.600 -0.051 0.000 1.341 218 S CA -0.488 57.550 58.200 -0.270 0.000 1.043 218 S CB 0.941 63.724 63.200 -0.695 0.000 0.887 218 S HN 0.653 nan 8.310 nan 0.000 0.516 219 H N 0.305 119.261 119.070 -0.190 0.000 2.930 219 H HA 0.370 4.928 4.556 0.002 0.000 0.371 219 H C 1.163 176.537 175.328 0.076 0.000 1.169 219 H CA -0.037 56.020 56.048 0.014 0.000 1.157 219 H CB 1.696 31.431 29.762 -0.044 0.000 1.789 219 H HN 0.735 nan 8.280 nan 0.000 0.547 220 G N 1.624 110.357 108.800 -0.110 0.000 2.442 220 G HA2 -0.246 3.715 3.960 0.002 0.000 0.219 220 G HA3 -0.246 3.715 3.960 0.002 0.000 0.219 220 G C 1.463 176.473 174.900 0.183 0.000 1.141 220 G CA 0.856 46.025 45.100 0.116 0.000 0.763 220 G HN 0.651 nan 8.290 nan 0.000 0.554 221 G N 0.923 109.868 108.800 0.242 0.000 2.404 221 G HA2 -0.156 3.805 3.960 0.002 0.000 0.215 221 G HA3 -0.156 3.805 3.960 0.002 0.000 0.215 221 G C 2.209 177.040 174.900 -0.114 0.000 1.174 221 G CA 1.787 46.761 45.100 -0.211 0.000 0.780 221 G HN 0.626 nan 8.290 nan 0.000 0.537 222 S N 0.013 115.706 115.700 -0.011 0.000 2.428 222 S HA -0.069 4.402 4.470 0.002 0.000 0.230 222 S C 2.206 176.785 174.600 -0.035 0.000 1.014 222 S CA 1.723 59.894 58.200 -0.049 0.000 0.957 222 S CB -0.525 62.640 63.200 -0.058 0.000 0.784 222 S HN 0.262 nan 8.310 nan 0.000 0.499 223 T N 2.047 116.586 114.554 -0.025 0.000 2.777 223 T HA 0.026 4.377 4.350 0.002 0.000 0.266 223 T C 1.265 175.974 174.700 0.017 0.000 1.040 223 T CA 1.324 63.392 62.100 -0.052 0.000 1.141 223 T CB -0.511 68.316 68.868 -0.069 0.000 0.868 223 T HN 0.497 nan 8.240 nan 0.000 0.444 224 F N 1.479 121.412 119.950 -0.029 0.000 2.102 224 F HA -0.154 4.374 4.527 0.002 0.000 0.298 224 F C 2.403 178.156 175.800 -0.080 0.000 1.105 224 F CA 0.725 58.710 58.000 -0.025 0.000 1.239 224 F CB -0.844 38.198 39.000 0.070 0.000 0.991 224 F HN 0.148 nan 8.300 nan 0.000 0.474 225 C N 0.972 120.157 119.300 -0.193 0.000 2.413 225 C HA -0.107 4.355 4.460 0.002 0.000 0.276 225 C C 3.099 178.013 174.990 -0.127 0.000 1.248 225 C CA 1.284 60.142 59.018 -0.267 0.000 1.742 225 C CB -1.968 25.741 27.740 -0.052 0.000 2.017 225 C HN 0.747 nan 8.230 nan 0.000 0.481 226 G N 0.574 109.339 108.800 -0.059 0.000 2.414 226 G HA2 -0.104 3.857 3.960 0.002 0.000 0.215 226 G HA3 -0.104 3.857 3.960 0.002 0.000 0.215 226 G C 1.381 176.288 174.900 0.013 0.000 1.188 226 G CA 0.710 45.825 45.100 0.025 0.000 0.783 226 G HN 0.355 nan 8.290 nan 0.000 0.537 227 I N 2.041 122.585 120.570 -0.043 0.000 2.179 227 I HA -0.126 4.046 4.170 0.002 0.000 0.242 227 I C 3.265 179.324 176.117 -0.096 0.000 1.088 227 I CA 1.241 62.526 61.300 -0.024 0.000 1.357 227 I CB -1.381 36.596 38.000 -0.039 0.000 1.051 227 I HN 0.259 nan 8.210 nan 0.000 0.409 228 A N 0.270 122.904 122.820 -0.309 0.000 1.933 228 A HA -0.167 4.154 4.320 0.002 0.000 0.218 228 A C 2.600 180.185 177.584 0.002 0.000 1.175 228 A CA 2.018 53.896 52.037 -0.266 0.000 0.628 228 A CB -0.729 17.809 19.000 -0.770 0.000 0.814 228 A HN 0.416 nan 8.150 nan 0.000 0.444 229 S N -0.046 115.691 115.700 0.062 0.000 2.359 229 S HA -0.122 4.350 4.470 0.002 0.000 0.224 229 S C 1.833 176.485 174.600 0.087 0.000 1.035 229 S CA 1.541 59.820 58.200 0.132 0.000 1.018 229 S CB -0.489 62.798 63.200 0.146 0.000 0.876 229 S HN 0.524 nan 8.310 nan 0.000 0.448 230 L N 0.636 121.886 121.223 0.046 0.000 2.083 230 L HA -0.173 4.168 4.340 0.002 0.000 0.209 230 L C 2.568 179.444 176.870 0.010 0.000 1.083 230 L CA 0.865 55.710 54.840 0.009 0.000 0.752 230 L CB -0.738 41.330 42.059 0.014 0.000 0.899 230 L HN 0.431 nan 8.230 nan 0.000 0.433 231 C N -0.684 118.634 119.300 0.030 0.000 2.446 231 C HA -0.122 4.339 4.460 0.002 0.000 0.277 231 C C 2.640 177.668 174.990 0.064 0.000 1.275 231 C CA 0.078 59.121 59.018 0.041 0.000 1.727 231 C CB -0.676 27.087 27.740 0.039 0.000 2.010 231 C HN 0.391 nan 8.230 nan 0.000 0.486 232 L N 0.309 121.578 121.223 0.077 0.000 2.131 232 L HA -0.079 4.263 4.340 0.002 0.000 0.210 232 L C 2.337 179.364 176.870 0.262 0.000 1.092 232 L CA 1.823 56.742 54.840 0.133 0.000 0.759 232 L CB -0.729 41.419 42.059 0.147 0.000 0.903 232 L HN 0.368 nan 8.230 nan 0.000 0.435 233 M N -1.634 117.965 119.600 -0.001 0.000 2.558 233 M HA 0.161 4.642 4.480 0.002 0.000 0.255 233 M C 1.225 177.381 176.300 -0.240 0.000 1.113 233 M CA 0.775 55.822 55.300 -0.423 0.000 1.097 233 M CB -0.170 32.170 32.600 -0.432 0.000 1.426 233 M HN 0.351 nan 8.290 nan 0.000 0.488 234 G N 2.181 110.944 108.800 -0.062 0.000 2.272 234 G HA2 -0.259 3.702 3.960 0.002 0.000 0.280 234 G HA3 -0.259 3.702 3.960 0.002 0.000 0.280 234 G C 0.207 175.071 174.900 -0.060 0.000 1.067 234 G CA 0.286 45.370 45.100 -0.026 0.000 0.902 234 G HN 0.564 nan 8.290 nan 0.000 0.500 235 K N -0.669 119.689 120.400 -0.069 0.000 2.619 235 K HA 0.353 4.675 4.320 0.002 0.000 0.201 235 K C 1.885 178.451 176.600 -0.057 0.000 1.090 235 K CA -0.544 55.697 56.287 -0.078 0.000 1.063 235 K CB 0.492 32.918 32.500 -0.123 0.000 0.810 235 K HN 0.310 nan 8.250 nan 0.000 0.506 236 L N 1.587 122.804 121.223 -0.010 0.000 1.970 236 L HA -0.223 4.118 4.340 0.002 0.000 0.212 236 L C 1.878 178.781 176.870 0.054 0.000 1.071 236 L CA 1.863 56.729 54.840 0.043 0.000 0.751 236 L CB 0.011 42.116 42.059 0.076 0.000 0.889 236 L HN 0.335 nan 8.230 nan 0.000 0.432 237 E N -0.298 119.928 120.200 0.043 0.000 2.118 237 E HA -0.312 4.039 4.350 0.002 0.000 0.195 237 E C 1.882 178.493 176.600 0.019 0.000 0.992 237 E CA 1.524 57.952 56.400 0.045 0.000 0.804 237 E CB -0.208 29.511 29.700 0.033 0.000 0.741 237 E HN 0.610 nan 8.360 nan 0.000 0.458 238 E N 0.693 120.882 120.200 -0.019 0.000 2.152 238 E HA -0.103 4.248 4.350 0.002 0.000 0.192 238 E C 2.015 178.565 176.600 -0.084 0.000 0.983 238 E CA 0.718 57.092 56.400 -0.044 0.000 0.818 238 E CB 0.341 30.006 29.700 -0.058 0.000 0.758 238 E HN 0.020 nan 8.360 nan 0.000 0.467 239 V N 0.289 120.112 119.914 -0.152 0.000 2.535 239 V HA 0.012 4.134 4.120 0.002 0.000 0.246 239 V C 0.693 176.562 176.094 -0.376 0.000 1.045 239 V CA 0.949 63.052 62.300 -0.329 0.000 1.058 239 V CB -0.154 31.352 31.823 -0.529 0.000 0.689 239 V HN 0.108 nan 8.190 nan 0.000 0.461 240 F N 0.476 120.419 119.950 -0.013 0.000 2.469 240 F HA 0.480 5.008 4.527 0.003 0.000 0.332 240 F C 0.865 176.662 175.800 -0.005 0.000 1.103 240 F CA -0.767 57.226 58.000 -0.011 0.000 0.979 240 F CB 1.590 40.583 39.000 -0.013 0.000 1.137 240 F HN -0.018 nan 8.300 nan 0.000 0.463 241 S N 1.043 116.869 115.700 0.210 0.000 2.608 241 S HA 0.061 4.532 4.470 0.002 0.000 0.261 241 S C 1.120 175.777 174.600 0.096 0.000 1.314 241 S CA -0.416 57.852 58.200 0.112 0.000 0.992 241 S CB 1.202 64.450 63.200 0.081 0.000 0.935 241 S HN 0.875 nan 8.310 nan 0.000 0.564 242 E N 0.794 121.031 120.200 0.062 0.000 2.077 242 E HA -0.228 4.124 4.350 0.002 0.000 0.193 242 E C 1.975 178.595 176.600 0.034 0.000 0.989 242 E CA 1.332 57.761 56.400 0.047 0.000 0.800 242 E CB -0.193 29.529 29.700 0.037 0.000 0.746 242 E HN 0.759 nan 8.360 nan 0.000 0.452 243 K N 0.431 120.850 120.400 0.031 0.000 2.057 243 K HA -0.207 4.114 4.320 0.002 0.000 0.207 243 K C 1.989 178.591 176.600 0.004 0.000 1.049 243 K CA 1.740 58.037 56.287 0.018 0.000 0.931 243 K CB 0.012 32.524 32.500 0.020 0.000 0.714 243 K HN 0.154 nan 8.250 nan 0.000 0.440 244 E N 0.583 120.789 120.200 0.011 0.000 2.051 244 E HA -0.173 4.178 4.350 0.002 0.000 0.192 244 E C 2.090 178.615 176.600 -0.125 0.000 0.991 244 E CA 1.254 57.627 56.400 -0.045 0.000 0.799 244 E CB -0.060 29.661 29.700 0.035 0.000 0.748 244 E HN 0.275 nan 8.360 nan 0.000 0.449 245 L N 1.264 122.451 121.223 -0.060 0.000 2.131 245 L HA -0.200 4.142 4.340 0.002 0.000 0.210 245 L C 2.029 178.876 176.870 -0.038 0.000 1.092 245 L CA 0.632 55.432 54.840 -0.067 0.000 0.759 245 L CB -0.385 41.687 42.059 0.022 0.000 0.903 245 L HN 0.154 nan 8.230 nan 0.000 0.435 246 N N 0.210 118.902 118.700 -0.014 0.000 2.188 246 N HA -0.130 4.611 4.740 0.002 0.000 0.184 246 N C 1.917 177.427 175.510 -0.001 0.000 1.018 246 N CA 1.105 54.156 53.050 0.002 0.000 0.858 246 N CB -0.143 38.348 38.487 0.006 0.000 0.989 246 N HN 0.324 nan 8.380 nan 0.000 0.426 247 R N 0.379 120.865 120.500 -0.023 0.000 2.075 247 R HA 0.109 4.451 4.340 0.002 0.000 0.232 247 R C 2.225 178.524 176.300 -0.001 0.000 1.126 247 R CA 0.735 56.827 56.100 -0.014 0.000 0.963 247 R CB -0.218 30.058 30.300 -0.040 0.000 0.858 247 R HN 0.231 nan 8.270 nan 0.000 0.435 248 I N 1.039 121.565 120.570 -0.073 0.000 2.179 248 I HA -0.278 3.894 4.170 0.002 0.000 0.242 248 I C 2.062 178.223 176.117 0.074 0.000 1.088 248 I CA 1.433 62.696 61.300 -0.062 0.000 1.357 248 I CB -0.251 37.614 38.000 -0.224 0.000 1.051 248 I HN 0.113 nan 8.210 nan 0.000 0.409 249 K N 0.470 120.899 120.400 0.048 0.000 2.063 249 K HA -0.251 4.070 4.320 0.002 0.000 0.208 249 K C 2.247 178.910 176.600 0.104 0.000 1.048 249 K CA 1.545 57.885 56.287 0.088 0.000 0.928 249 K CB -0.237 32.307 32.500 0.074 0.000 0.713 249 K HN 0.063 nan 8.250 nan 0.000 0.442 250 R N 0.475 121.025 120.500 0.083 0.000 2.083 250 R HA -0.189 4.152 4.340 0.002 0.000 0.237 250 R C 1.862 178.214 176.300 0.088 0.000 1.137 250 R CA 1.740 57.880 56.100 0.067 0.000 0.951 250 R CB -0.823 29.507 30.300 0.050 0.000 0.851 250 R HN 0.406 nan 8.270 nan 0.000 0.434 251 W N -0.147 121.132 121.300 -0.036 0.000 2.358 251 W HA -0.226 4.436 4.660 0.002 0.000 0.303 251 W C 2.024 178.539 176.519 -0.006 0.000 1.208 251 W CA 1.755 59.076 57.345 -0.040 0.000 1.274 251 W CB -0.525 28.887 29.460 -0.081 0.000 1.138 251 W HN 0.167 nan 8.180 nan 0.000 0.515 252 C N -0.317 119.153 119.300 0.283 0.000 2.453 252 C HA -0.169 4.292 4.460 0.002 0.000 0.277 252 C C 2.665 177.690 174.990 0.057 0.000 1.262 252 C CA 1.128 60.255 59.018 0.182 0.000 1.718 252 C CB -1.504 26.389 27.740 0.254 0.000 2.031 252 C HN 0.442 nan 8.230 nan 0.000 0.480 253 I N 0.490 121.105 120.570 0.075 0.000 2.756 253 I HA -0.136 4.036 4.170 0.002 0.000 0.262 253 I C 2.027 178.120 176.117 -0.041 0.000 1.225 253 I CA 1.110 62.455 61.300 0.075 0.000 1.472 253 I CB -0.066 37.984 38.000 0.083 0.000 1.094 253 I HN 0.255 nan 8.210 nan 0.000 0.454 254 M N -0.251 119.269 119.600 -0.133 0.000 2.619 254 M HA -0.018 4.464 4.480 0.002 0.000 0.251 254 M C 1.711 177.842 176.300 -0.283 0.000 1.106 254 M CA 0.842 56.018 55.300 -0.207 0.000 1.086 254 M CB -0.870 31.589 32.600 -0.235 0.000 1.465 254 M HN 0.152 nan 8.290 nan 0.000 0.506 255 R N 0.369 120.704 120.500 -0.275 0.000 2.235 255 R HA 0.030 4.372 4.340 0.002 0.000 0.213 255 R C 0.881 176.900 176.300 -0.468 0.000 1.059 255 R CA 0.213 56.149 56.100 -0.273 0.000 0.997 255 R CB -0.614 29.649 30.300 -0.063 0.000 0.884 255 R HN 0.540 nan 8.270 nan 0.000 0.462 256 Q N 1.090 120.606 119.800 -0.472 0.000 2.288 256 Q HA -0.000 4.341 4.340 0.002 0.000 0.258 256 Q C 0.192 175.849 176.000 -0.572 0.000 0.957 256 Q CA 0.019 55.332 55.803 -0.817 0.000 0.919 256 Q CB 0.877 29.081 28.738 -0.890 0.000 1.185 256 Q HN -0.003 nan 8.270 nan 0.000 0.408 257 Q N 2.626 122.092 119.800 -0.558 0.000 2.471 257 Q HA 0.112 4.453 4.340 0.002 0.000 0.241 257 Q C 0.165 175.994 176.000 -0.285 0.000 0.886 257 Q CA 1.253 56.825 55.803 -0.385 0.000 0.953 257 Q CB 0.645 29.157 28.738 -0.377 0.000 1.108 257 Q HN 0.853 nan 8.270 nan 0.000 0.575 258 N N -0.976 117.535 118.700 -0.316 0.000 2.529 258 N HA 0.043 4.785 4.740 0.002 0.000 0.328 258 N C 0.767 176.151 175.510 -0.210 0.000 0.606 258 N CA 0.412 53.354 53.050 -0.180 0.000 1.182 258 N CB -0.293 38.153 38.487 -0.069 0.000 1.946 258 N HN 0.095 nan 8.380 nan 0.000 1.584 259 G N -0.973 107.640 108.800 -0.311 0.000 2.641 259 G HA2 0.573 4.534 3.960 0.002 0.000 0.239 259 G HA3 0.573 4.534 3.960 0.002 0.000 0.239 259 G C -1.420 173.281 174.900 -0.332 0.000 1.402 259 G CA -0.297 44.666 45.100 -0.228 0.000 1.046 259 G HN 0.127 nan 8.290 nan 0.000 0.565 260 Y N -0.706 119.536 120.300 -0.096 0.000 2.485 260 Y HA 0.446 4.998 4.550 0.003 0.000 0.345 260 Y C 0.660 176.609 175.900 0.081 0.000 0.998 260 Y CA -0.873 57.200 58.100 -0.046 0.000 1.059 260 Y CB 1.715 40.220 38.460 0.075 0.000 1.234 260 Y HN 0.725 nan 8.280 nan 0.000 0.461 261 H N -1.509 117.577 119.070 0.026 0.000 2.615 261 H HA 0.612 5.170 4.556 0.002 0.000 0.346 261 H C 0.502 175.470 175.328 -0.600 0.000 1.200 261 H CA -0.837 55.145 56.048 -0.109 0.000 1.264 261 H CB 1.918 31.607 29.762 -0.122 0.000 1.699 261 H HN 0.814 nan 8.280 nan 0.000 0.567 262 G N 0.019 108.232 108.800 -0.978 0.000 2.603 262 G HA2 0.078 4.040 3.960 0.002 0.000 0.214 262 G HA3 0.078 4.040 3.960 0.002 0.000 0.214 262 G C 0.210 174.576 174.900 -0.890 0.000 1.140 262 G CA -0.216 43.965 45.100 -1.532 0.000 0.800 262 G HN 0.761 nan 8.290 nan 0.000 0.533 263 R N -1.386 118.666 120.500 -0.746 0.000 2.664 263 R HA 0.378 4.719 4.340 0.002 0.000 0.266 263 R C -3.496 172.313 176.300 -0.818 0.000 1.046 263 R CA -1.992 53.799 56.100 -0.515 0.000 0.885 263 R CB 0.257 30.445 30.300 -0.186 0.000 1.254 263 R HN -0.242 nan 8.270 nan 0.000 0.465 264 P HA -0.096 nan 4.420 nan 0.000 0.263 264 P C -0.486 176.663 177.300 -0.251 0.000 1.168 264 P CA 0.496 63.393 63.100 -0.337 0.000 0.759 264 P CB 0.217 31.847 31.700 -0.116 0.000 0.782 265 N N -0.692 117.936 118.700 -0.120 0.000 2.741 265 N HA -0.172 4.570 4.740 0.002 0.000 0.251 265 N C -0.319 175.160 175.510 -0.052 0.000 1.112 265 N CA 1.299 54.323 53.050 -0.043 0.000 0.750 265 N CB -0.695 37.777 38.487 -0.026 0.000 1.119 265 N HN 0.497 nan 8.380 nan 0.000 0.561 266 K N 0.508 120.835 120.400 -0.122 0.000 2.208 266 K HA 0.495 4.817 4.320 0.002 0.000 0.247 266 K C -2.207 174.444 176.600 0.086 0.000 0.953 266 K CA -1.432 54.833 56.287 -0.038 0.000 0.837 266 K CB 1.773 34.219 32.500 -0.090 0.000 1.131 266 K HN -0.093 nan 8.250 nan 0.000 0.431 267 P HA 0.015 nan 4.420 nan 0.000 0.272 267 P C 0.161 177.605 177.300 0.241 0.000 1.223 267 P CA -0.456 62.704 63.100 0.099 0.000 0.784 267 P CB 0.524 32.194 31.700 -0.050 0.000 0.923 268 V N -0.819 119.175 119.914 0.134 0.000 3.096 268 V HA 0.378 4.500 4.120 0.002 0.000 0.306 268 V C -0.012 176.329 176.094 0.412 0.000 1.088 268 V CA 0.040 62.423 62.300 0.138 0.000 1.129 268 V CB 0.539 32.178 31.823 -0.307 0.000 1.014 268 V HN 0.624 nan 8.190 nan 0.000 0.486 269 D N 1.607 122.299 120.400 0.488 0.000 2.970 269 D HA 0.311 4.952 4.640 0.002 0.000 0.230 269 D C 0.776 177.337 176.300 0.436 0.000 1.276 269 D CA 0.003 54.322 54.000 0.532 0.000 0.910 269 D CB 2.226 43.320 40.800 0.489 0.000 1.590 269 D HN 0.645 nan 8.370 nan 0.000 0.551 270 T N 1.857 116.719 114.554 0.514 0.000 2.649 270 T HA -0.232 4.119 4.350 0.002 0.000 0.268 270 T C 2.009 176.800 174.700 0.152 0.000 1.036 270 T CA 2.351 64.688 62.100 0.396 0.000 1.157 270 T CB -0.611 68.439 68.868 0.302 0.000 0.861 270 T HN 0.777 nan 8.240 nan 0.000 0.445 271 C N 0.407 119.735 119.300 0.045 0.000 2.419 271 C HA -0.051 4.411 4.460 0.002 0.000 0.283 271 C C 2.203 176.977 174.990 -0.359 0.000 1.373 271 C CA -0.186 58.662 59.018 -0.284 0.000 1.781 271 C CB -2.063 25.393 27.740 -0.473 0.000 1.886 271 C HN 0.498 nan 8.230 nan 0.000 0.520 272 Y N 1.938 122.330 120.300 0.154 0.000 2.509 272 Y HA 0.022 4.574 4.550 0.002 0.000 0.293 272 Y C 2.841 178.678 175.900 -0.105 0.000 1.133 272 Y CA 1.193 59.380 58.100 0.145 0.000 1.283 272 Y CB -0.835 37.763 38.460 0.230 0.000 1.001 272 Y HN 0.342 nan 8.280 nan 0.000 0.555 273 S N -0.356 115.354 115.700 0.017 0.000 2.419 273 S HA -0.176 4.295 4.470 0.002 0.000 0.233 273 S C 1.711 176.116 174.600 -0.325 0.000 1.016 273 S CA 1.279 59.392 58.200 -0.146 0.000 0.974 273 S CB -0.403 62.817 63.200 0.033 0.000 0.786 273 S HN 0.543 nan 8.310 nan 0.000 0.492 274 F N 0.041 119.719 119.950 -0.454 0.000 2.315 274 F HA 0.195 4.724 4.527 0.002 0.000 0.284 274 F C 1.599 177.056 175.800 -0.572 0.000 1.049 274 F CA 0.115 57.767 58.000 -0.580 0.000 1.323 274 F CB -0.626 37.969 39.000 -0.675 0.000 1.113 274 F HN 0.166 nan 8.300 nan 0.000 0.544 275 W N 0.435 121.404 121.300 -0.552 0.000 2.317 275 W HA -0.229 4.433 4.660 0.002 0.000 0.318 275 W C 2.340 178.652 176.519 -0.344 0.000 1.227 275 W CA 1.634 58.641 57.345 -0.563 0.000 1.269 275 W CB -0.968 28.398 29.460 -0.157 0.000 1.155 275 W HN -0.169 nan 8.180 nan 0.000 0.484 276 V N 0.313 120.232 119.914 0.008 0.000 2.346 276 V HA -0.098 4.023 4.120 0.002 0.000 0.244 276 V C 2.398 178.330 176.094 -0.270 0.000 1.037 276 V CA 1.942 64.207 62.300 -0.057 0.000 1.029 276 V CB -1.629 30.170 31.823 -0.039 0.000 0.663 276 V HN 0.377 nan 8.190 nan 0.000 0.454 277 G N 0.122 108.576 108.800 -0.576 0.000 2.476 277 G HA2 -0.269 3.692 3.960 0.002 0.000 0.218 277 G HA3 -0.269 3.692 3.960 0.002 0.000 0.218 277 G C 1.742 176.234 174.900 -0.681 0.000 1.164 277 G CA 1.219 45.928 45.100 -0.651 0.000 0.768 277 G HN 0.608 nan 8.290 nan 0.000 0.560 278 A N 0.017 122.389 122.820 -0.748 0.000 1.969 278 A HA 0.030 4.352 4.320 0.002 0.000 0.218 278 A C 2.524 179.994 177.584 -0.189 0.000 1.169 278 A CA 2.357 54.026 52.037 -0.614 0.000 0.635 278 A CB -0.729 17.586 19.000 -1.142 0.000 0.810 278 A HN 0.315 nan 8.150 nan 0.000 0.445 279 T N 0.476 114.999 114.554 -0.053 0.000 2.777 279 T HA -0.053 4.299 4.350 0.002 0.000 0.266 279 T C 1.800 176.524 174.700 0.039 0.000 1.040 279 T CA 1.376 63.515 62.100 0.064 0.000 1.141 279 T CB -0.362 68.585 68.868 0.132 0.000 0.868 279 T HN 0.371 nan 8.240 nan 0.000 0.444 280 L N 0.713 121.961 121.223 0.042 0.000 2.046 280 L HA -0.114 4.227 4.340 0.002 0.000 0.208 280 L C 2.625 179.574 176.870 0.132 0.000 1.077 280 L CA 1.215 56.139 54.840 0.141 0.000 0.747 280 L CB -0.439 41.794 42.059 0.289 0.000 0.896 280 L HN 0.173 nan 8.230 nan 0.000 0.432 281 K N 0.864 121.277 120.400 0.022 0.000 2.057 281 K HA -0.154 4.168 4.320 0.002 0.000 0.207 281 K C 1.948 178.560 176.600 0.019 0.000 1.049 281 K CA 1.535 57.831 56.287 0.013 0.000 0.931 281 K CB -0.347 32.054 32.500 -0.164 0.000 0.714 281 K HN 0.175 nan 8.250 nan 0.000 0.440 282 L N 0.286 121.512 121.223 0.004 0.000 2.191 282 L HA -0.080 4.261 4.340 0.002 0.000 0.212 282 L C 1.759 178.653 176.870 0.041 0.000 1.103 282 L CA 0.780 55.631 54.840 0.018 0.000 0.769 282 L CB -0.225 41.842 42.059 0.014 0.000 0.908 282 L HN 0.174 nan 8.230 nan 0.000 0.438 283 L N -0.724 120.535 121.223 0.059 0.000 2.611 283 L HA 0.035 4.376 4.340 0.002 0.000 0.229 283 L C 0.555 177.478 176.870 0.089 0.000 1.137 283 L CA -0.079 54.805 54.840 0.073 0.000 0.901 283 L CB -0.087 42.020 42.059 0.080 0.000 1.098 283 L HN 0.129 nan 8.230 nan 0.000 0.456 284 K N 0.269 120.719 120.400 0.083 0.000 3.160 284 K HA -0.198 4.123 4.320 0.002 0.000 0.280 284 K C 0.529 177.183 176.600 0.089 0.000 1.154 284 K CA 1.129 57.463 56.287 0.078 0.000 0.822 284 K CB -1.532 31.009 32.500 0.069 0.000 1.239 284 K HN 0.646 nan 8.250 nan 0.000 0.489 285 I N -4.779 115.872 120.570 0.135 0.000 4.160 285 I HA 0.250 4.421 4.170 0.002 0.000 0.325 285 I C 1.245 177.450 176.117 0.148 0.000 1.455 285 I CA -0.694 60.709 61.300 0.171 0.000 1.142 285 I CB 0.156 38.347 38.000 0.319 0.000 1.262 285 I HN -0.016 nan 8.210 nan 0.000 0.483 286 F N 3.422 123.385 119.950 0.022 0.000 2.216 286 F HA -0.188 4.341 4.527 0.002 0.000 0.300 286 F C 2.554 178.431 175.800 0.128 0.000 1.085 286 F CA 2.357 60.405 58.000 0.080 0.000 1.326 286 F CB -0.110 38.915 39.000 0.041 0.000 1.027 286 F HN 0.388 nan 8.300 nan 0.000 0.497 287 Q N -1.307 118.407 119.800 -0.144 0.000 2.297 287 Q HA -0.249 4.092 4.340 0.002 0.000 0.208 287 Q C 1.085 176.786 176.000 -0.498 0.000 0.981 287 Q CA 1.903 57.485 55.803 -0.368 0.000 0.876 287 Q CB -1.070 27.363 28.738 -0.507 0.000 0.921 287 Q HN 0.618 nan 8.270 nan 0.000 0.446 288 Y N 2.086 122.324 120.300 -0.104 0.000 2.468 288 Y HA 0.138 4.690 4.550 0.002 0.000 0.268 288 Y C 1.075 176.907 175.900 -0.115 0.000 1.177 288 Y CA -0.153 57.880 58.100 -0.111 0.000 1.265 288 Y CB 0.501 38.930 38.460 -0.051 0.000 1.103 288 Y HN 0.164 nan 8.280 nan 0.000 0.522 289 T N -1.993 112.534 114.554 -0.044 0.000 2.824 289 T HA 0.090 4.442 4.350 0.002 0.000 0.277 289 T C 0.032 174.724 174.700 -0.014 0.000 0.975 289 T CA -0.989 61.104 62.100 -0.013 0.000 0.966 289 T CB 1.252 70.110 68.868 -0.016 0.000 1.054 289 T HN 0.093 nan 8.240 nan 0.000 0.533 290 N N 0.535 119.252 118.700 0.027 0.000 2.437 290 N HA 0.157 4.898 4.740 0.002 0.000 0.243 290 N C 0.370 176.005 175.510 0.208 0.000 1.041 290 N CA -0.528 52.548 53.050 0.044 0.000 0.940 290 N CB -0.118 38.363 38.487 -0.010 0.000 1.133 290 N HN 0.712 nan 8.380 nan 0.000 0.506 291 F N 1.441 121.335 119.950 -0.094 0.000 2.113 291 F HA -0.144 4.384 4.527 0.002 0.000 0.297 291 F C 2.334 178.139 175.800 0.010 0.000 1.103 291 F CA 0.578 58.551 58.000 -0.045 0.000 1.248 291 F CB 0.206 39.173 39.000 -0.054 0.000 0.999 291 F HN 0.560 nan 8.300 nan 0.000 0.475 292 E N 1.264 121.591 120.200 0.212 0.000 2.058 292 E HA -0.257 4.094 4.350 0.002 0.000 0.194 292 E C 1.984 178.647 176.600 0.105 0.000 0.997 292 E CA 1.493 57.970 56.400 0.128 0.000 0.801 292 E CB -0.069 29.679 29.700 0.081 0.000 0.746 292 E HN 0.381 nan 8.360 nan 0.000 0.450 293 K N 0.192 120.643 120.400 0.085 0.000 2.148 293 K HA -0.141 4.180 4.320 0.002 0.000 0.204 293 K C 2.099 178.766 176.600 0.112 0.000 1.050 293 K CA 1.192 57.523 56.287 0.072 0.000 0.942 293 K CB -0.184 32.326 32.500 0.016 0.000 0.724 293 K HN 0.072 nan 8.250 nan 0.000 0.446 294 N N 1.689 120.462 118.700 0.122 0.000 2.106 294 N HA -0.179 4.562 4.740 0.002 0.000 0.188 294 N C 1.732 177.358 175.510 0.193 0.000 1.029 294 N CA 1.374 54.537 53.050 0.189 0.000 0.848 294 N CB -0.035 38.608 38.487 0.261 0.000 1.007 294 N HN 0.054 nan 8.380 nan 0.000 0.423 295 R N 0.088 120.665 120.500 0.129 0.000 2.083 295 R HA -0.064 4.277 4.340 0.002 0.000 0.237 295 R C 1.500 177.867 176.300 0.113 0.000 1.137 295 R CA 1.669 57.824 56.100 0.093 0.000 0.951 295 R CB -0.251 30.090 30.300 0.069 0.000 0.851 295 R HN 0.272 nan 8.270 nan 0.000 0.434 296 N N -0.206 118.566 118.700 0.119 0.000 2.166 296 N HA -0.217 4.525 4.740 0.002 0.000 0.186 296 N C 1.437 177.012 175.510 0.107 0.000 1.019 296 N CA 1.339 54.452 53.050 0.105 0.000 0.856 296 N CB -0.542 38.003 38.487 0.096 0.000 0.993 296 N HN 0.335 nan 8.380 nan 0.000 0.426 297 Y N 1.539 121.890 120.300 0.084 0.000 2.163 297 Y HA -0.038 4.513 4.550 0.002 0.000 0.288 297 Y C 2.198 178.179 175.900 0.136 0.000 1.136 297 Y CA 1.249 59.410 58.100 0.101 0.000 1.147 297 Y CB -0.429 38.088 38.460 0.096 0.000 0.987 297 Y HN -0.046 nan 8.280 nan 0.000 0.509 298 I N -0.022 120.605 120.570 0.094 0.000 2.118 298 I HA -0.381 3.791 4.170 0.002 0.000 0.241 298 I C 2.295 178.485 176.117 0.122 0.000 1.070 298 I CA 1.716 63.048 61.300 0.053 0.000 1.327 298 I CB -0.571 37.442 38.000 0.022 0.000 1.034 298 I HN 0.268 nan 8.210 nan 0.000 0.405 299 L N 0.449 121.763 121.223 0.151 0.000 2.275 299 L HA -0.155 4.186 4.340 0.002 0.000 0.215 299 L C 2.642 179.555 176.870 0.071 0.000 1.119 299 L CA 1.357 56.326 54.840 0.216 0.000 0.790 299 L CB -0.628 41.535 42.059 0.175 0.000 0.919 299 L HN 0.388 nan 8.230 nan 0.000 0.443 300 S N -1.583 114.087 115.700 -0.049 0.000 2.515 300 S HA -0.107 4.365 4.470 0.002 0.000 0.231 300 S C 1.711 176.242 174.600 -0.115 0.000 0.987 300 S CA 0.983 59.124 58.200 -0.099 0.000 0.936 300 S CB -0.567 62.544 63.200 -0.149 0.000 0.766 300 S HN 0.546 nan 8.310 nan 0.000 0.528 301 T N -1.726 112.768 114.554 -0.099 0.000 3.105 301 T HA 0.248 4.599 4.350 0.002 0.000 0.253 301 T C 0.344 175.046 174.700 0.003 0.000 1.047 301 T CA -0.497 61.588 62.100 -0.025 0.000 0.944 301 T CB -0.261 68.612 68.868 0.007 0.000 1.016 301 T HN 0.467 nan 8.240 nan 0.000 0.544 302 Q N 1.774 121.527 119.800 -0.078 0.000 2.313 302 Q HA 0.098 4.440 4.340 0.002 0.000 0.266 302 Q C -0.795 175.034 176.000 -0.285 0.000 0.989 302 Q CA -0.311 55.240 55.803 -0.419 0.000 0.890 302 Q CB 0.529 29.050 28.738 -0.361 0.000 1.200 302 Q HN 0.272 nan 8.270 nan 0.000 0.396 303 D N 3.841 124.039 120.400 -0.336 0.000 2.380 303 D HA 0.081 4.723 4.640 0.002 0.000 0.230 303 D C 0.304 176.461 176.300 -0.238 0.000 1.154 303 D CA -0.016 53.856 54.000 -0.213 0.000 0.859 303 D CB 0.639 41.333 40.800 -0.176 0.000 1.045 303 D HN 0.605 nan 8.370 nan 0.000 0.495 304 R N 2.683 123.074 120.500 -0.182 0.000 2.280 304 R HA -0.028 4.313 4.340 0.002 0.000 0.207 304 R C 1.542 177.746 176.300 -0.160 0.000 1.043 304 R CA 0.175 56.164 56.100 -0.185 0.000 1.006 304 R CB 0.446 30.667 30.300 -0.131 0.000 0.885 304 R HN 0.448 nan 8.270 nan 0.000 0.467 305 L N 0.367 121.516 121.223 -0.123 0.000 2.265 305 L HA 0.015 4.357 4.340 0.002 0.000 0.195 305 L C 1.974 178.790 176.870 -0.090 0.000 1.083 305 L CA 1.390 56.175 54.840 -0.092 0.000 0.798 305 L CB -0.286 41.739 42.059 -0.056 0.000 0.989 305 L HN 0.085 nan 8.230 nan 0.000 0.472 306 V N -1.649 118.221 119.914 -0.073 0.000 3.590 306 V HA 0.483 4.605 4.120 0.002 0.000 0.265 306 V C 0.885 176.982 176.094 0.004 0.000 1.239 306 V CA 0.543 62.835 62.300 -0.013 0.000 1.117 306 V CB -0.346 31.507 31.823 0.050 0.000 0.818 306 V HN 0.609 nan 8.190 nan 0.000 0.451 307 G N -0.599 108.093 108.800 -0.180 0.000 2.728 307 G HA2 0.388 4.349 3.960 0.002 0.000 0.294 307 G HA3 0.388 4.349 3.960 0.002 0.000 0.294 307 G C 0.565 175.082 174.900 -0.639 0.000 1.342 307 G CA -0.284 44.609 45.100 -0.345 0.000 0.866 307 G HN 2.455 nan 8.290 nan 0.000 0.534 308 G N -2.127 106.223 108.800 -0.750 0.000 2.855 308 G HA2 0.345 4.306 3.960 0.002 0.000 0.352 308 G HA3 0.345 4.306 3.960 0.002 0.000 0.352 308 G C -0.382 174.002 174.900 -0.860 0.000 1.415 308 G CA 0.350 44.635 45.100 -1.360 0.000 0.871 308 G HN 1.818 nan 8.290 nan 0.000 0.543 309 F N -0.007 119.647 119.950 -0.494 0.000 2.593 309 F HA 0.822 5.351 4.527 0.002 0.000 0.320 309 F C 0.838 176.556 175.800 -0.137 0.000 1.060 309 F CA 0.059 57.919 58.000 -0.233 0.000 0.940 309 F CB 2.109 41.007 39.000 -0.171 0.000 1.268 309 F HN 0.981 nan 8.300 nan 0.000 0.475 310 A N 1.273 124.143 122.820 0.084 0.000 2.309 310 A HA 0.534 4.856 4.320 0.002 0.000 0.317 310 A C 0.840 178.332 177.584 -0.153 0.000 1.134 310 A CA -0.605 51.397 52.037 -0.059 0.000 0.866 310 A CB 1.275 20.250 19.000 -0.042 0.000 1.329 310 A HN 0.879 nan 8.150 nan 0.000 0.477 311 K N -0.986 119.086 120.400 -0.546 0.000 2.103 311 K HA -0.011 4.311 4.320 0.002 0.000 0.204 311 K C -0.443 176.111 176.600 -0.078 0.000 1.052 311 K CA 0.677 56.627 56.287 -0.562 0.000 0.945 311 K CB 0.003 31.840 32.500 -1.104 0.000 0.722 311 K HN 0.590 nan 8.250 nan 0.000 0.443 312 W N 1.672 123.007 121.300 0.058 0.000 2.902 312 W HA 0.411 5.073 4.660 0.002 0.000 0.346 312 W C -2.636 173.895 176.519 0.020 0.000 1.139 312 W CA -3.181 54.237 57.345 0.122 0.000 1.139 312 W CB 0.085 29.615 29.460 0.117 0.000 1.439 312 W HN -0.192 nan 8.180 nan 0.000 0.558 313 P HA -0.011 nan 4.420 nan 0.000 0.269 313 P C -0.160 177.204 177.300 0.107 0.000 1.209 313 P CA 0.549 63.700 63.100 0.085 0.000 0.776 313 P CB 0.717 32.435 31.700 0.030 0.000 0.876 314 D N -1.865 118.570 120.400 0.059 0.000 2.800 314 D HA -0.138 4.503 4.640 0.002 0.000 0.232 314 D C -0.050 176.288 176.300 0.063 0.000 1.137 314 D CA 1.197 55.229 54.000 0.053 0.000 0.718 314 D CB -1.784 39.043 40.800 0.044 0.000 1.084 314 D HN 0.354 nan 8.370 nan 0.000 0.432 315 S N -1.658 114.086 115.700 0.073 0.000 2.634 315 S HA 0.439 4.910 4.470 0.002 0.000 0.296 315 S C -0.504 174.141 174.600 0.076 0.000 1.104 315 S CA -0.625 57.600 58.200 0.041 0.000 0.920 315 S CB 1.240 64.493 63.200 0.088 0.000 1.111 315 S HN 0.227 nan 8.310 nan 0.000 0.493 316 H N 2.516 121.598 119.070 0.019 0.000 2.803 316 H HA 0.274 4.832 4.556 0.002 0.000 0.330 316 H C -1.890 173.447 175.328 0.014 0.000 1.057 316 H CA -1.504 54.561 56.048 0.029 0.000 1.458 316 H CB 0.681 30.480 29.762 0.062 0.000 1.470 316 H HN 0.436 nan 8.280 nan 0.000 0.560 317 P HA 0.056 nan 4.420 nan 0.000 0.276 317 P C -1.050 176.375 177.300 0.209 0.000 1.244 317 P CA -0.360 62.779 63.100 0.065 0.000 0.801 317 P CB 1.457 33.090 31.700 -0.111 0.000 1.006 318 D N -1.285 119.258 120.400 0.238 0.000 2.583 318 D HA 0.458 5.100 4.640 0.002 0.000 0.248 318 D C 0.842 177.382 176.300 0.401 0.000 1.209 318 D CA -0.987 53.229 54.000 0.361 0.000 0.848 318 D CB 0.496 41.480 40.800 0.306 0.000 1.431 318 D HN 0.165 nan 8.370 nan 0.000 0.436 319 A N 0.493 123.562 122.820 0.415 0.000 1.908 319 A HA -0.148 4.173 4.320 0.002 0.000 0.218 319 A C 1.987 179.595 177.584 0.040 0.000 1.181 319 A CA 1.635 53.925 52.037 0.423 0.000 0.627 319 A CB -0.995 18.238 19.000 0.389 0.000 0.818 319 A HN 0.655 nan 8.150 nan 0.000 0.445 320 L N -1.495 119.606 121.223 -0.203 0.000 2.017 320 L HA -0.212 4.130 4.340 0.002 0.000 0.208 320 L C 2.461 179.074 176.870 -0.428 0.000 1.073 320 L CA 2.251 56.629 54.840 -0.769 0.000 0.745 320 L CB -0.366 41.478 42.059 -0.358 0.000 0.894 320 L HN 0.546 nan 8.230 nan 0.000 0.432 321 H N -0.740 118.291 119.070 -0.064 0.000 2.462 321 H HA 0.043 4.601 4.556 0.002 0.000 0.292 321 H C 2.144 177.441 175.328 -0.051 0.000 1.049 321 H CA 1.013 57.047 56.048 -0.023 0.000 1.334 321 H CB -0.107 29.659 29.762 0.008 0.000 1.404 321 H HN 0.514 nan 8.280 nan 0.000 0.544 322 A N 0.272 123.142 122.820 0.083 0.000 1.873 322 A HA -0.219 4.102 4.320 0.002 0.000 0.215 322 A C 2.070 179.711 177.584 0.095 0.000 1.186 322 A CA 1.510 53.604 52.037 0.095 0.000 0.616 322 A CB -0.911 18.023 19.000 -0.109 0.000 0.823 322 A HN 0.519 nan 8.150 nan 0.000 0.442 323 Y N -0.512 119.732 120.300 -0.094 0.000 2.163 323 Y HA -0.169 4.383 4.550 0.002 0.000 0.288 323 Y C 1.923 177.457 175.900 -0.609 0.000 1.136 323 Y CA 1.711 59.599 58.100 -0.354 0.000 1.147 323 Y CB -0.564 37.469 38.460 -0.711 0.000 0.987 323 Y HN 0.285 nan 8.280 nan 0.000 0.509 324 F N -0.377 119.218 119.950 -0.593 0.000 2.325 324 F HA -0.014 4.514 4.527 0.002 0.000 0.299 324 F C 2.540 177.968 175.800 -0.621 0.000 1.090 324 F CA 0.778 58.315 58.000 -0.771 0.000 1.392 324 F CB -0.656 37.906 39.000 -0.730 0.000 1.053 324 F HN 0.144 nan 8.300 nan 0.000 0.521 325 G N 0.411 108.939 108.800 -0.454 0.000 2.402 325 G HA2 -0.194 3.767 3.960 0.002 0.000 0.216 325 G HA3 -0.194 3.767 3.960 0.002 0.000 0.216 325 G C 1.685 176.119 174.900 -0.777 0.000 1.162 325 G CA 0.677 45.348 45.100 -0.715 0.000 0.777 325 G HN 0.323 nan 8.290 nan 0.000 0.539 326 I N 0.271 120.432 120.570 -0.682 0.000 2.252 326 I HA -0.176 3.996 4.170 0.002 0.000 0.245 326 I C 2.677 178.522 176.117 -0.454 0.000 1.102 326 I CA 0.545 61.571 61.300 -0.457 0.000 1.385 326 I CB -0.136 37.766 38.000 -0.163 0.000 1.064 326 I HN 0.188 nan 8.210 nan 0.000 0.414 327 C N 0.641 119.589 119.300 -0.585 0.000 2.435 327 C HA -0.051 4.410 4.460 0.002 0.000 0.279 327 C C 2.917 177.756 174.990 -0.251 0.000 1.321 327 C CA 0.922 59.641 59.018 -0.499 0.000 1.752 327 C CB -1.630 25.579 27.740 -0.886 0.000 1.959 327 C HN 0.662 nan 8.230 nan 0.000 0.500 328 G N 0.289 108.934 108.800 -0.258 0.000 2.418 328 G HA2 -0.144 3.817 3.960 0.002 0.000 0.217 328 G HA3 -0.144 3.817 3.960 0.002 0.000 0.217 328 G C 1.417 176.177 174.900 -0.233 0.000 1.158 328 G CA 0.565 45.541 45.100 -0.207 0.000 0.771 328 G HN 0.343 nan 8.290 nan 0.000 0.545 329 L N 1.236 122.285 121.223 -0.289 0.000 2.083 329 L HA 0.001 4.342 4.340 0.002 0.000 0.209 329 L C 3.062 179.777 176.870 -0.259 0.000 1.083 329 L CA 1.866 56.534 54.840 -0.287 0.000 0.752 329 L CB -0.980 40.833 42.059 -0.409 0.000 0.899 329 L HN 0.336 nan 8.230 nan 0.000 0.433 330 S N -0.876 114.671 115.700 -0.256 0.000 2.368 330 S HA -0.164 4.307 4.470 0.002 0.000 0.225 330 S C 2.025 176.533 174.600 -0.152 0.000 1.030 330 S CA 0.811 58.897 58.200 -0.190 0.000 0.999 330 S CB -0.167 62.927 63.200 -0.176 0.000 0.844 330 S HN 0.251 nan 8.310 nan 0.000 0.459 331 L N 1.242 122.345 121.223 -0.200 0.000 2.129 331 L HA 0.084 4.425 4.340 0.002 0.000 0.212 331 L C 2.094 178.915 176.870 -0.082 0.000 1.087 331 L CA 1.738 56.426 54.840 -0.253 0.000 0.757 331 L CB -0.951 40.718 42.059 -0.649 0.000 0.896 331 L HN 0.496 nan 8.230 nan 0.000 0.434 332 M N -1.375 118.134 119.600 -0.152 0.000 2.453 332 M HA 0.078 4.560 4.480 0.002 0.000 0.239 332 M C -0.230 176.044 176.300 -0.044 0.000 1.151 332 M CA 0.024 55.161 55.300 -0.272 0.000 0.989 332 M CB 0.076 32.304 32.600 -0.619 0.000 1.548 332 M HN 0.083 nan 8.290 nan 0.000 0.479 333 E N 1.710 121.888 120.200 -0.036 0.000 2.302 333 E HA -0.184 4.168 4.350 0.002 0.000 0.186 333 E C -0.162 176.417 176.600 -0.034 0.000 1.444 333 E CA 0.184 56.577 56.400 -0.012 0.000 0.671 333 E CB -0.884 28.845 29.700 0.049 0.000 1.122 333 E HN 0.395 nan 8.360 nan 0.000 0.366 334 E N 0.805 120.943 120.200 -0.103 0.000 2.354 334 E HA 0.201 4.552 4.350 0.002 0.000 0.269 334 E C -0.408 176.137 176.600 -0.092 0.000 1.036 334 E CA -0.183 56.135 56.400 -0.136 0.000 0.876 334 E CB 1.131 30.648 29.700 -0.305 0.000 1.009 334 E HN 0.157 nan 8.360 nan 0.000 0.416 335 S N 2.997 118.672 115.700 -0.041 0.000 2.510 335 S HA 0.430 4.902 4.470 0.002 0.000 0.279 335 S C 0.923 175.545 174.600 0.036 0.000 1.284 335 S CA 0.727 58.932 58.200 0.010 0.000 1.059 335 S CB -0.210 63.014 63.200 0.040 0.000 0.901 335 S HN 0.964 nan 8.310 nan 0.000 0.491 336 G N 3.959 112.790 108.800 0.051 0.000 2.194 336 G HA2 -0.187 3.775 3.960 0.002 0.000 0.236 336 G HA3 -0.187 3.775 3.960 0.002 0.000 0.236 336 G C 0.009 174.969 174.900 0.100 0.000 0.987 336 G CA 0.122 45.285 45.100 0.105 0.000 0.635 336 G HN 0.724 nan 8.290 nan 0.000 0.520 337 I N 1.244 121.819 120.570 0.007 0.000 2.433 337 I HA 0.368 4.540 4.170 0.002 0.000 0.292 337 I C 1.050 177.152 176.117 -0.024 0.000 1.001 337 I CA -1.181 60.107 61.300 -0.021 0.000 1.119 337 I CB 1.626 39.529 38.000 -0.162 0.000 1.289 337 I HN 0.106 nan 8.210 nan 0.000 0.438 338 C N 4.242 123.538 119.300 -0.006 0.000 2.727 338 C HA 0.073 4.535 4.460 0.002 0.000 0.401 338 C C 0.922 175.900 174.990 -0.020 0.000 1.294 338 C CA -0.422 58.594 59.018 -0.004 0.000 2.134 338 C CB -0.054 27.691 27.740 0.007 0.000 2.724 338 C HN 0.705 nan 8.230 nan 0.000 0.677 339 K N 0.937 121.336 120.400 -0.003 0.000 2.350 339 K HA 0.403 4.724 4.320 0.002 0.000 0.279 339 K C -0.548 176.061 176.600 0.016 0.000 1.027 339 K CA -0.213 56.073 56.287 -0.001 0.000 0.969 339 K CB 0.589 33.097 32.500 0.013 0.000 0.954 339 K HN 0.541 nan 8.250 nan 0.000 0.474 340 V N 4.650 124.571 119.914 0.013 0.000 2.612 340 V HA 0.126 4.248 4.120 0.002 0.000 0.301 340 V C -0.582 175.593 176.094 0.134 0.000 1.046 340 V CA -0.646 61.692 62.300 0.065 0.000 0.946 340 V CB 1.352 33.194 31.823 0.033 0.000 1.003 340 V HN 0.851 nan 8.190 nan 0.000 0.459 341 H N 8.651 127.786 119.070 0.108 0.000 2.911 341 H HA 0.350 4.908 4.556 0.002 0.000 0.273 341 H C -1.818 173.637 175.328 0.211 0.000 1.157 341 H CA -1.980 54.146 56.048 0.130 0.000 1.402 341 H CB 1.655 31.494 29.762 0.128 0.000 1.463 341 H HN 0.512 nan 8.280 nan 0.000 0.475 342 P HA -0.202 nan 4.420 nan 0.000 0.215 342 P C 1.151 178.772 177.300 0.534 0.000 1.157 342 P CA 1.900 65.190 63.100 0.317 0.000 0.874 342 P CB 0.203 31.940 31.700 0.061 0.000 0.790 343 A N -0.869 122.234 122.820 0.471 0.000 1.929 343 A HA -0.066 4.256 4.320 0.002 0.000 0.216 343 A C 2.165 180.061 177.584 0.520 0.000 1.176 343 A CA 1.080 53.375 52.037 0.430 0.000 0.628 343 A CB -1.330 17.822 19.000 0.254 0.000 0.816 343 A HN 0.174 nan 8.150 nan 0.000 0.444 344 L N -0.755 120.734 121.223 0.444 0.000 2.509 344 L HA 0.173 4.515 4.340 0.002 0.000 0.222 344 L C 0.672 177.806 176.870 0.440 0.000 1.123 344 L CA 0.967 55.915 54.840 0.179 0.000 0.856 344 L CB -0.809 41.017 42.059 -0.388 0.000 0.985 344 L HN 0.584 nan 8.230 nan 0.000 0.456 345 N N -0.409 118.649 118.700 0.596 0.000 2.740 345 N HA -0.182 4.559 4.740 0.002 0.000 0.248 345 N C -0.691 175.089 175.510 0.449 0.000 1.062 345 N CA 0.996 54.389 53.050 0.573 0.000 0.704 345 N CB -1.164 37.773 38.487 0.750 0.000 0.968 345 N HN 0.281 nan 8.380 nan 0.000 0.547 346 V N -3.541 116.563 119.914 0.317 0.000 3.181 346 V HA 0.843 4.965 4.120 0.002 0.000 0.308 346 V C 0.548 176.737 176.094 0.158 0.000 1.214 346 V CA -0.428 62.002 62.300 0.216 0.000 1.053 346 V CB 1.460 33.379 31.823 0.161 0.000 1.069 346 V HN 0.475 nan 8.190 nan 0.000 0.441 347 S N 0.265 116.018 115.700 0.088 0.000 2.579 347 S HA 0.169 4.640 4.470 0.002 0.000 0.275 347 S C 1.358 176.018 174.600 0.099 0.000 1.345 347 S CA 0.422 58.663 58.200 0.069 0.000 1.031 347 S CB 0.887 64.103 63.200 0.025 0.000 0.892 347 S HN 1.825 nan 8.310 nan 0.000 0.529 348 T N 0.083 114.700 114.554 0.105 0.000 2.833 348 T HA -0.201 4.151 4.350 0.002 0.000 0.269 348 T C 1.769 176.516 174.700 0.078 0.000 1.054 348 T CA 1.154 63.328 62.100 0.122 0.000 1.135 348 T CB -0.496 68.428 68.868 0.094 0.000 0.869 348 T HN 0.751 nan 8.240 nan 0.000 0.466 349 R N 1.193 121.721 120.500 0.048 0.000 2.080 349 R HA -0.145 4.196 4.340 0.002 0.000 0.236 349 R C 2.330 178.640 176.300 0.017 0.000 1.137 349 R CA 2.137 58.253 56.100 0.027 0.000 0.943 349 R CB -1.026 29.283 30.300 0.016 0.000 0.846 349 R HN 0.418 nan 8.270 nan 0.000 0.431 350 T N 0.467 115.032 114.554 0.018 0.000 2.746 350 T HA -0.146 4.205 4.350 0.002 0.000 0.267 350 T C 1.889 176.586 174.700 -0.006 0.000 1.039 350 T CA 1.658 63.758 62.100 0.001 0.000 1.142 350 T CB -0.264 68.608 68.868 0.006 0.000 0.866 350 T HN 0.569 nan 8.240 nan 0.000 0.444 351 S N 1.642 117.361 115.700 0.031 0.000 2.399 351 S HA -0.114 4.358 4.470 0.002 0.000 0.231 351 S C 1.863 176.474 174.600 0.018 0.000 1.022 351 S CA 1.079 59.297 58.200 0.030 0.000 0.983 351 S CB -0.383 62.903 63.200 0.144 0.000 0.803 351 S HN 0.577 nan 8.310 nan 0.000 0.480 352 E N 0.709 120.925 120.200 0.026 0.000 2.107 352 E HA -0.012 4.340 4.350 0.002 0.000 0.191 352 E C 2.382 178.951 176.600 -0.052 0.000 0.982 352 E CA 0.451 56.852 56.400 0.002 0.000 0.809 352 E CB -0.130 29.581 29.700 0.019 0.000 0.756 352 E HN 0.271 nan 8.360 nan 0.000 0.459 353 R N 1.210 121.676 120.500 -0.057 0.000 2.096 353 R HA -0.141 4.200 4.340 0.002 0.000 0.235 353 R C 2.222 178.423 176.300 -0.165 0.000 1.127 353 R CA 0.909 56.958 56.100 -0.084 0.000 0.968 353 R CB -0.517 29.747 30.300 -0.060 0.000 0.861 353 R HN 0.223 nan 8.270 nan 0.000 0.440 354 L N 0.833 121.935 121.223 -0.201 0.000 2.156 354 L HA -0.087 4.254 4.340 0.002 0.000 0.208 354 L C 2.683 179.205 176.870 -0.580 0.000 1.095 354 L CA 1.720 56.324 54.840 -0.394 0.000 0.770 354 L CB -0.602 41.256 42.059 -0.335 0.000 0.914 354 L HN -0.067 nan 8.230 nan 0.000 0.439 355 R N -0.343 119.966 120.500 -0.318 0.000 2.081 355 R HA -0.138 4.204 4.340 0.002 0.000 0.235 355 R C 1.967 178.147 176.300 -0.200 0.000 1.131 355 R CA 1.798 57.767 56.100 -0.217 0.000 0.960 355 R CB -1.184 29.081 30.300 -0.059 0.000 0.856 355 R HN 0.652 nan 8.270 nan 0.000 0.436 356 D N 0.497 120.787 120.400 -0.183 0.000 2.084 356 D HA -0.087 4.554 4.640 0.002 0.000 0.194 356 D C 2.147 178.300 176.300 -0.245 0.000 0.990 356 D CA 1.714 55.622 54.000 -0.153 0.000 0.826 356 D CB -0.503 40.232 40.800 -0.108 0.000 0.971 356 D HN 0.306 nan 8.370 nan 0.000 0.453 357 L N 0.384 121.387 121.223 -0.367 0.000 2.021 357 L HA -0.262 4.079 4.340 0.002 0.000 0.215 357 L C 2.492 178.786 176.870 -0.959 0.000 1.074 357 L CA 1.520 55.996 54.840 -0.607 0.000 0.760 357 L CB -0.551 41.114 42.059 -0.656 0.000 0.889 357 L HN 0.254 nan 8.230 nan 0.000 0.433 358 H N -1.991 116.571 119.070 -0.847 0.000 2.319 358 H HA -0.237 4.320 4.556 0.002 0.000 0.299 358 H C 2.444 177.595 175.328 -0.295 0.000 1.092 358 H CA 1.326 56.984 56.048 -0.650 0.000 1.302 358 H CB 0.055 29.596 29.762 -0.368 0.000 1.373 358 H HN 0.225 nan 8.280 nan 0.000 0.497 359 Q N 0.809 120.564 119.800 -0.075 0.000 2.124 359 Q HA -0.159 4.182 4.340 0.002 0.000 0.202 359 Q C 2.637 178.638 176.000 0.001 0.000 0.977 359 Q CA 1.505 57.298 55.803 -0.018 0.000 0.850 359 Q CB -0.382 28.343 28.738 -0.021 0.000 0.901 359 Q HN 0.680 nan 8.270 nan 0.000 0.429 360 S N -1.275 114.394 115.700 -0.051 0.000 2.428 360 S HA -0.101 4.370 4.470 0.002 0.000 0.230 360 S C 1.588 176.305 174.600 0.195 0.000 1.014 360 S CA 0.989 59.212 58.200 0.038 0.000 0.957 360 S CB -0.534 62.674 63.200 0.013 0.000 0.784 360 S HN 0.766 nan 8.310 nan 0.000 0.499 361 W N 2.296 123.620 121.300 0.041 0.000 2.467 361 W HA 0.321 4.982 4.660 0.001 0.000 0.275 361 W C 1.629 178.154 176.519 0.011 0.000 1.239 361 W CA 0.106 57.465 57.345 0.024 0.000 1.266 361 W CB -1.051 28.423 29.460 0.023 0.000 1.112 361 W HN 0.469 nan 8.180 nan 0.000 0.576 362 K N 1.912 122.446 120.400 0.223 0.000 2.095 362 K HA 0.398 4.719 4.320 0.002 0.000 0.258 362 K C 0.288 176.946 176.600 0.096 0.000 1.120 362 K CA 0.771 57.135 56.287 0.128 0.000 1.026 362 K CB -1.222 31.329 32.500 0.085 0.000 1.256 362 K HN 0.228 nan 8.250 nan 0.000 0.360 363 T N 0.000 114.607 114.554 0.089 0.000 3.816 363 T HA 0.000 4.351 4.350 0.002 0.000 0.228 363 T CA 0.000 62.138 62.100 0.063 0.000 1.349 363 T CB 0.000 68.910 68.868 0.070 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658