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 3b9w_1_A DATA FIRST_RESID 8 DATA SEQUENCE INEARLVAQY NYSINILAML LVGFGFLMVF VRRYGFSATT GTYLVVATGL DATA SEQUENCE PLYILLRANG IFGHALTPHS VDAVIYAEFA VATGLIAMGA VLGRLRVFQY DATA SEQUENCE ALLALFIVPV YLLNEWLVLD NASGLTEGFQ DSAGSIAIHA FGAYFGLGVS DATA SEQUENCE IALTTAAQRA QPIESDATSD RFSMLGSMVL WLFWPSFATA IVPFEQMPQT DATA SEQUENCE IVNTLLALCG ATLATYFLSA LFHKGKASIV DMANAALAGG VAIGSVCNIV DATA SEQUENCE GPVGAFVIGL LGGAISVVGF VFIQPMLESK AKTIDTCGVH NLHGLPGLLG DATA SEQUENCE GFSAILIVPG IAVAQLTGIG ITLALALIGG VIAGALIKLT GTTKQAYEDS DATA SEQUENCE HEFIHLAGPE DE 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 8 I HA 0.000 nan 4.170 nan 0.000 0.288 8 I C 0.000 176.102 176.117 -0.025 0.000 1.063 8 I CA 0.000 61.293 61.300 -0.012 0.000 1.566 8 I CB 0.000 37.995 38.000 -0.008 0.000 1.214 9 N N 2.937 121.616 118.700 -0.035 0.000 2.415 9 N HA 0.196 4.936 4.740 0.001 0.000 0.250 9 N C 0.481 175.944 175.510 -0.079 0.000 1.127 9 N CA 0.273 53.285 53.050 -0.064 0.000 0.945 9 N CB 0.750 39.185 38.487 -0.087 0.000 1.196 9 N HN 0.833 nan 8.380 nan 0.000 0.499 10 E N 2.310 122.468 120.200 -0.070 0.000 2.106 10 E HA -0.151 4.199 4.350 0.001 0.000 0.192 10 E C 1.529 178.076 176.600 -0.089 0.000 0.984 10 E CA 1.196 57.556 56.400 -0.067 0.000 0.806 10 E CB 0.060 29.729 29.700 -0.051 0.000 0.750 10 E HN 0.721 nan 8.360 nan 0.000 0.458 11 A N 1.743 124.492 122.820 -0.118 0.000 1.908 11 A HA -0.205 4.115 4.320 0.001 0.000 0.218 11 A C 2.089 179.534 177.584 -0.232 0.000 1.181 11 A CA 1.336 53.281 52.037 -0.152 0.000 0.627 11 A CB -0.401 18.497 19.000 -0.170 0.000 0.818 11 A HN 0.084 nan 8.150 nan 0.000 0.445 12 R N -1.294 119.019 120.500 -0.311 0.000 2.115 12 R HA -0.044 4.297 4.340 0.001 0.000 0.230 12 R C 2.056 178.279 176.300 -0.129 0.000 1.111 12 R CA 1.183 57.092 56.100 -0.319 0.000 0.976 12 R CB -0.458 29.651 30.300 -0.318 0.000 0.870 12 R HN 0.490 nan 8.270 nan 0.000 0.445 13 L N 0.704 121.874 121.223 -0.089 0.000 2.056 13 L HA -0.111 4.230 4.340 0.001 0.000 0.207 13 L C 2.017 178.871 176.870 -0.027 0.000 1.078 13 L CA 1.525 56.344 54.840 -0.035 0.000 0.749 13 L CB -0.296 41.746 42.059 -0.028 0.000 0.901 13 L HN -0.126 nan 8.230 nan 0.000 0.433 14 V N 0.220 120.105 119.914 -0.048 0.000 2.343 14 V HA -0.302 3.818 4.120 0.001 0.000 0.247 14 V C 2.829 178.879 176.094 -0.074 0.000 1.051 14 V CA 1.593 63.881 62.300 -0.020 0.000 1.036 14 V CB -1.461 30.346 31.823 -0.026 0.000 0.654 14 V HN 0.611 nan 8.190 nan 0.000 0.451 15 A N -0.664 122.060 122.820 -0.160 0.000 1.883 15 A HA -0.274 4.046 4.320 0.001 0.000 0.217 15 A C 2.201 179.327 177.584 -0.764 0.000 1.186 15 A CA 1.855 53.657 52.037 -0.391 0.000 0.624 15 A CB -0.517 18.382 19.000 -0.169 0.000 0.822 15 A HN 0.526 nan 8.150 nan 0.000 0.444 16 Q N -1.620 117.985 119.800 -0.324 0.000 2.050 16 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 16 Q C 1.982 177.941 176.000 -0.068 0.000 0.980 16 Q CA 1.920 57.660 55.803 -0.106 0.000 0.840 16 Q CB -0.764 28.014 28.738 0.068 0.000 0.898 16 Q HN 0.850 nan 8.270 nan 0.000 0.424 17 Y N 2.005 122.228 120.300 -0.128 0.000 2.128 17 Y HA -0.259 4.291 4.550 0.001 0.000 0.284 17 Y C 1.693 177.539 175.900 -0.090 0.000 1.154 17 Y CA 1.962 60.012 58.100 -0.085 0.000 1.149 17 Y CB -0.462 37.956 38.460 -0.070 0.000 0.976 17 Y HN 0.197 nan 8.280 nan 0.000 0.505 18 N N -1.307 117.248 118.700 -0.242 0.000 2.166 18 N HA -0.199 4.541 4.740 0.001 0.000 0.186 18 N C 1.433 176.840 175.510 -0.171 0.000 1.019 18 N CA 1.518 54.411 53.050 -0.261 0.000 0.856 18 N CB -0.431 37.988 38.487 -0.113 0.000 0.993 18 N HN 0.314 nan 8.380 nan 0.000 0.426 19 Y N 0.983 121.238 120.300 -0.075 0.000 2.165 19 Y HA -0.187 4.363 4.550 0.001 0.000 0.286 19 Y C 2.789 178.585 175.900 -0.173 0.000 1.155 19 Y CA 0.970 59.029 58.100 -0.069 0.000 1.164 19 Y CB -1.289 37.155 38.460 -0.026 0.000 0.978 19 Y HN 0.145 nan 8.280 nan 0.000 0.513 20 S N -0.168 115.471 115.700 -0.101 0.000 2.382 20 S HA -0.130 4.340 4.470 0.001 0.000 0.228 20 S C 1.905 176.341 174.600 -0.275 0.000 1.027 20 S CA 1.345 59.423 58.200 -0.204 0.000 0.991 20 S CB -0.649 62.433 63.200 -0.196 0.000 0.823 20 S HN 0.270 nan 8.310 nan 0.000 0.469 21 I N 3.021 123.351 120.570 -0.401 0.000 2.353 21 I HA -0.036 4.134 4.170 0.001 0.000 0.248 21 I C 2.096 177.980 176.117 -0.389 0.000 1.119 21 I CA 0.838 61.910 61.300 -0.379 0.000 1.417 21 I CB -1.902 35.830 38.000 -0.447 0.000 1.078 21 I HN 0.291 nan 8.210 nan 0.000 0.421 22 N N 1.492 119.964 118.700 -0.380 0.000 2.069 22 N HA -0.152 4.588 4.740 0.001 0.000 0.191 22 N C 1.972 177.192 175.510 -0.483 0.000 1.031 22 N CA 1.363 54.031 53.050 -0.637 0.000 0.852 22 N CB -0.441 37.989 38.487 -0.095 0.000 1.018 22 N HN 0.342 nan 8.380 nan 0.000 0.423 23 I N 0.171 120.637 120.570 -0.172 0.000 2.226 23 I HA -0.217 3.954 4.170 0.001 0.000 0.245 23 I C 2.103 178.176 176.117 -0.072 0.000 1.100 23 I CA 0.556 61.839 61.300 -0.027 0.000 1.374 23 I CB -0.183 37.804 38.000 -0.022 0.000 1.057 23 I HN 0.075 nan 8.210 nan 0.000 0.413 24 L N 1.211 122.345 121.223 -0.148 0.000 2.083 24 L HA -0.160 4.181 4.340 0.001 0.000 0.209 24 L C 2.566 179.380 176.870 -0.093 0.000 1.083 24 L CA 2.049 56.827 54.840 -0.105 0.000 0.752 24 L CB -0.796 41.195 42.059 -0.113 0.000 0.899 24 L HN 0.201 nan 8.230 nan 0.000 0.433 25 A N -0.782 121.909 122.820 -0.215 0.000 1.908 25 A HA -0.259 4.062 4.320 0.001 0.000 0.218 25 A C 2.274 179.857 177.584 -0.002 0.000 1.181 25 A CA 2.193 54.128 52.037 -0.170 0.000 0.627 25 A CB -0.548 18.172 19.000 -0.467 0.000 0.818 25 A HN 0.530 nan 8.150 nan 0.000 0.445 26 M N -0.589 119.011 119.600 0.001 0.000 2.108 26 M HA -0.133 4.348 4.480 0.001 0.000 0.261 26 M C 2.108 178.532 176.300 0.207 0.000 1.066 26 M CA 1.428 56.788 55.300 0.100 0.000 1.107 26 M CB -0.569 32.055 32.600 0.040 0.000 1.356 26 M HN 0.385 nan 8.290 nan 0.000 0.406 27 L N -0.334 121.005 121.223 0.194 0.000 2.017 27 L HA -0.201 4.139 4.340 0.001 0.000 0.208 27 L C 2.309 179.287 176.870 0.181 0.000 1.073 27 L CA 1.246 56.223 54.840 0.228 0.000 0.745 27 L CB -0.666 41.438 42.059 0.075 0.000 0.894 27 L HN 0.318 nan 8.230 nan 0.000 0.432 28 L N -1.276 120.006 121.223 0.098 0.000 2.056 28 L HA -0.083 4.257 4.340 0.001 0.000 0.202 28 L C 2.400 179.338 176.870 0.114 0.000 1.086 28 L CA 0.572 55.437 54.840 0.041 0.000 0.758 28 L CB -0.453 41.602 42.059 -0.006 0.000 0.912 28 L HN -0.061 nan 8.230 nan 0.000 0.446 29 V N 0.048 120.046 119.914 0.140 0.000 2.379 29 V HA -0.125 3.995 4.120 0.001 0.000 0.245 29 V C 2.470 178.724 176.094 0.267 0.000 1.044 29 V CA 1.821 64.253 62.300 0.219 0.000 1.036 29 V CB -1.235 30.646 31.823 0.096 0.000 0.664 29 V HN 0.582 nan 8.190 nan 0.000 0.453 30 G N -0.399 108.518 108.800 0.195 0.000 2.524 30 G HA2 -0.228 3.733 3.960 0.001 0.000 0.215 30 G HA3 -0.228 3.733 3.960 0.001 0.000 0.215 30 G C 1.461 176.421 174.900 0.101 0.000 1.239 30 G CA 0.964 46.139 45.100 0.126 0.000 0.798 30 G HN 0.398 nan 8.290 nan 0.000 0.557 31 F N 1.812 121.837 119.950 0.125 0.000 2.134 31 F HA 0.041 4.568 4.527 0.001 0.000 0.299 31 F C 2.958 178.809 175.800 0.084 0.000 1.097 31 F CA 1.168 59.231 58.000 0.106 0.000 1.264 31 F CB -0.689 38.340 39.000 0.049 0.000 1.001 31 F HN 0.203 nan 8.300 nan 0.000 0.479 32 G N -0.650 108.293 108.800 0.238 0.000 2.459 32 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 32 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 32 G C 1.512 176.373 174.900 -0.065 0.000 1.183 32 G CA 0.907 46.029 45.100 0.035 0.000 0.776 32 G HN 0.289 nan 8.290 nan 0.000 0.552 33 F N -0.170 119.817 119.950 0.062 0.000 2.416 33 F HA 0.212 4.740 4.527 0.001 0.000 0.296 33 F C 2.315 178.205 175.800 0.150 0.000 1.099 33 F CA 0.165 58.215 58.000 0.083 0.000 1.427 33 F CB -0.278 38.780 39.000 0.096 0.000 1.079 33 F HN 0.081 nan 8.300 nan 0.000 0.536 34 L N 0.025 121.412 121.223 0.274 0.000 2.043 34 L HA -0.229 4.111 4.340 0.001 0.000 0.212 34 L C 2.052 179.109 176.870 0.312 0.000 1.075 34 L CA 1.923 56.906 54.840 0.239 0.000 0.752 34 L CB -0.572 41.590 42.059 0.172 0.000 0.891 34 L HN 0.129 nan 8.230 nan 0.000 0.432 35 M N -2.012 117.748 119.600 0.266 0.000 2.562 35 M HA -0.066 4.414 4.480 0.001 0.000 0.257 35 M C 1.664 178.062 176.300 0.164 0.000 1.099 35 M CA 0.362 55.834 55.300 0.287 0.000 1.099 35 M CB -0.018 32.695 32.600 0.188 0.000 1.427 35 M HN 0.082 nan 8.290 nan 0.000 0.489 36 V N 0.916 120.873 119.914 0.070 0.000 3.305 36 V HA -0.216 3.904 4.120 0.001 0.000 0.269 36 V C 1.911 178.061 176.094 0.095 0.000 1.157 36 V CA 1.151 63.430 62.300 -0.036 0.000 1.157 36 V CB -1.361 30.319 31.823 -0.238 0.000 0.772 36 V HN 0.542 nan 8.190 nan 0.000 0.498 37 F N 0.371 120.375 119.950 0.090 0.000 2.250 37 F HA -0.026 4.501 4.527 0.001 0.000 0.301 37 F C 0.908 176.746 175.800 0.064 0.000 1.077 37 F CA 0.410 58.462 58.000 0.087 0.000 1.348 37 F CB -0.887 38.154 39.000 0.068 0.000 1.040 37 F HN -0.051 nan 8.300 nan 0.000 0.509 38 V N 3.410 122.790 119.914 -0.891 0.000 2.450 38 V HA -0.027 4.093 4.120 0.001 0.000 0.281 38 V C 1.723 177.679 176.094 -0.231 0.000 1.019 38 V CA 0.298 62.175 62.300 -0.705 0.000 1.062 38 V CB 0.414 31.919 31.823 -0.531 0.000 0.979 38 V HN 0.470 nan 8.190 nan 0.000 0.477 39 R N 4.421 124.821 120.500 -0.165 0.000 2.112 39 R HA -0.118 4.222 4.340 0.001 0.000 0.242 39 R C 1.330 177.603 176.300 -0.046 0.000 1.137 39 R CA 1.835 57.899 56.100 -0.060 0.000 0.944 39 R CB 0.063 30.337 30.300 -0.042 0.000 0.857 39 R HN 0.643 nan 8.270 nan 0.000 0.435 40 R N -1.285 119.199 120.500 -0.027 0.000 2.791 40 R HA 0.066 4.407 4.340 0.001 0.000 0.357 40 R C -0.430 175.882 176.300 0.021 0.000 1.173 40 R CA -0.129 55.942 56.100 -0.047 0.000 1.060 40 R CB 0.756 31.038 30.300 -0.030 0.000 1.406 40 R HN 0.256 nan 8.270 nan 0.000 0.580 41 Y N -1.144 119.069 120.300 -0.145 0.000 2.717 41 Y HA 0.278 4.828 4.550 0.001 0.000 0.250 41 Y C 1.631 177.455 175.900 -0.126 0.000 1.149 41 Y CA -0.607 57.439 58.100 -0.091 0.000 1.211 41 Y CB 0.776 39.229 38.460 -0.012 0.000 1.289 41 Y HN 0.156 nan 8.280 nan 0.000 0.552 42 G N 0.229 108.910 108.800 -0.197 0.000 2.422 42 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 42 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 42 G C 1.381 176.160 174.900 -0.202 0.000 1.146 42 G CA 0.932 45.895 45.100 -0.228 0.000 0.769 42 G HN 0.299 nan 8.290 nan 0.000 0.547 43 F N 1.841 121.475 119.950 -0.528 0.000 2.146 43 F HA 0.016 4.543 4.527 0.001 0.000 0.298 43 F C 2.991 178.413 175.800 -0.630 0.000 1.096 43 F CA 0.864 58.389 58.000 -0.790 0.000 1.275 43 F CB -0.976 37.186 39.000 -1.397 0.000 1.008 43 F HN 0.102 nan 8.300 nan 0.000 0.480 44 S N 0.114 115.616 115.700 -0.331 0.000 2.383 44 S HA -0.066 4.404 4.470 0.001 0.000 0.227 44 S C 2.363 176.743 174.600 -0.367 0.000 1.026 44 S CA 0.877 58.900 58.200 -0.294 0.000 0.981 44 S CB -0.582 61.982 63.200 -1.060 0.000 0.818 44 S HN 0.319 nan 8.310 nan 0.000 0.472 45 A N 1.883 124.449 122.820 -0.423 0.000 1.877 45 A HA -0.141 4.180 4.320 0.001 0.000 0.216 45 A C 2.470 179.888 177.584 -0.276 0.000 1.186 45 A CA 2.214 54.096 52.037 -0.258 0.000 0.620 45 A CB -1.458 17.450 19.000 -0.154 0.000 0.822 45 A HN 0.630 nan 8.150 nan 0.000 0.443 46 T N -3.424 110.939 114.554 -0.318 0.000 2.812 46 T HA -0.104 4.247 4.350 0.001 0.000 0.264 46 T C 1.838 176.433 174.700 -0.175 0.000 1.042 46 T CA 1.935 63.834 62.100 -0.335 0.000 1.140 46 T CB -1.004 67.603 68.868 -0.436 0.000 0.870 46 T HN 0.306 nan 8.240 nan 0.000 0.445 47 T N 1.574 116.104 114.554 -0.040 0.000 2.746 47 T HA 0.064 4.415 4.350 0.001 0.000 0.267 47 T C 2.307 177.086 174.700 0.131 0.000 1.039 47 T CA 1.337 63.536 62.100 0.165 0.000 1.142 47 T CB -1.108 67.974 68.868 0.356 0.000 0.866 47 T HN 0.610 nan 8.240 nan 0.000 0.444 48 G N 1.104 109.902 108.800 -0.005 0.000 2.440 48 G HA2 -0.235 3.725 3.960 0.001 0.000 0.218 48 G HA3 -0.235 3.725 3.960 0.001 0.000 0.218 48 G C 1.722 176.559 174.900 -0.106 0.000 1.154 48 G CA 1.499 46.525 45.100 -0.124 0.000 0.767 48 G HN 0.444 nan 8.290 nan 0.000 0.552 49 T N 0.203 114.672 114.554 -0.141 0.000 2.684 49 T HA -0.150 4.200 4.350 0.001 0.000 0.267 49 T C 2.101 176.807 174.700 0.010 0.000 1.036 49 T CA 1.280 63.322 62.100 -0.096 0.000 1.148 49 T CB -0.349 68.439 68.868 -0.133 0.000 0.863 49 T HN 0.246 nan 8.240 nan 0.000 0.436 50 Y N 1.448 121.738 120.300 -0.015 0.000 2.151 50 Y HA -0.068 4.482 4.550 0.001 0.000 0.284 50 Y C 2.241 178.150 175.900 0.014 0.000 1.166 50 Y CA 0.439 58.543 58.100 0.007 0.000 1.163 50 Y CB -0.820 37.649 38.460 0.016 0.000 0.974 50 Y HN 0.186 nan 8.280 nan 0.000 0.511 51 L N -1.681 119.662 121.223 0.201 0.000 2.093 51 L HA -0.201 4.139 4.340 0.001 0.000 0.208 51 L C 2.295 179.223 176.870 0.097 0.000 1.085 51 L CA 0.814 55.737 54.840 0.137 0.000 0.755 51 L CB -0.768 41.388 42.059 0.161 0.000 0.904 51 L HN 0.029 nan 8.230 nan 0.000 0.435 52 V N -0.743 119.217 119.914 0.077 0.000 2.358 52 V HA -0.227 3.893 4.120 0.001 0.000 0.246 52 V C 2.412 178.514 176.094 0.014 0.000 1.047 52 V CA 1.414 63.733 62.300 0.032 0.000 1.035 52 V CB -0.159 31.658 31.823 -0.010 0.000 0.658 52 V HN 0.181 nan 8.190 nan 0.000 0.452 53 V N 0.374 120.307 119.914 0.033 0.000 2.295 53 V HA -0.233 3.888 4.120 0.001 0.000 0.246 53 V C 2.670 178.791 176.094 0.045 0.000 1.049 53 V CA 2.093 64.413 62.300 0.034 0.000 1.024 53 V CB -1.093 30.774 31.823 0.074 0.000 0.648 53 V HN 0.556 nan 8.190 nan 0.000 0.447 54 A N -0.660 122.201 122.820 0.069 0.000 2.014 54 A HA -0.146 4.175 4.320 0.001 0.000 0.218 54 A C 2.335 179.936 177.584 0.028 0.000 1.163 54 A CA 2.152 54.215 52.037 0.043 0.000 0.652 54 A CB -0.612 18.406 19.000 0.030 0.000 0.808 54 A HN 0.526 nan 8.150 nan 0.000 0.449 55 T N -0.832 113.739 114.554 0.029 0.000 2.852 55 T HA 0.089 4.439 4.350 0.001 0.000 0.256 55 T C 2.021 176.734 174.700 0.021 0.000 1.038 55 T CA 1.058 63.169 62.100 0.018 0.000 1.141 55 T CB -0.459 68.416 68.868 0.012 0.000 0.869 55 T HN 0.497 nan 8.240 nan 0.000 0.439 56 G N 1.386 110.196 108.800 0.017 0.000 2.402 56 G HA2 -0.057 3.903 3.960 0.001 0.000 0.216 56 G HA3 -0.057 3.903 3.960 0.001 0.000 0.216 56 G C 1.515 176.442 174.900 0.044 0.000 1.162 56 G CA 0.323 45.435 45.100 0.020 0.000 0.777 56 G HN 0.382 nan 8.290 nan 0.000 0.539 57 L N 0.930 122.167 121.223 0.025 0.000 1.970 57 L HA -0.067 4.273 4.340 0.001 0.000 0.212 57 L C 0.146 177.059 176.870 0.071 0.000 1.071 57 L CA 1.468 56.329 54.840 0.036 0.000 0.751 57 L CB -1.215 40.853 42.059 0.016 0.000 0.889 57 L HN 0.195 nan 8.230 nan 0.000 0.432 58 P HA -0.163 nan 4.420 nan 0.000 0.218 58 P C 1.692 179.019 177.300 0.044 0.000 1.149 58 P CA 0.962 64.086 63.100 0.041 0.000 0.817 58 P CB 0.045 31.758 31.700 0.022 0.000 0.785 59 L N -1.339 119.917 121.223 0.055 0.000 2.017 59 L HA -0.157 4.184 4.340 0.001 0.000 0.208 59 L C 2.400 179.313 176.870 0.072 0.000 1.073 59 L CA 1.821 56.691 54.840 0.050 0.000 0.745 59 L CB -1.573 40.519 42.059 0.055 0.000 0.894 59 L HN -0.111 nan 8.230 nan 0.000 0.432 60 Y N -0.276 120.028 120.300 0.007 0.000 2.181 60 Y HA -0.216 4.335 4.550 0.001 0.000 0.288 60 Y C 2.370 178.271 175.900 0.002 0.000 1.146 60 Y CA 1.997 60.111 58.100 0.022 0.000 1.164 60 Y CB -0.135 38.353 38.460 0.045 0.000 0.982 60 Y HN 0.211 nan 8.280 nan 0.000 0.515 61 I N -0.643 120.027 120.570 0.167 0.000 2.226 61 I HA -0.305 3.865 4.170 0.001 0.000 0.245 61 I C 2.283 178.374 176.117 -0.044 0.000 1.100 61 I CA 1.200 62.543 61.300 0.072 0.000 1.374 61 I CB -0.444 37.603 38.000 0.078 0.000 1.057 61 I HN 0.303 nan 8.210 nan 0.000 0.413 62 L N 0.738 121.933 121.223 -0.047 0.000 2.017 62 L HA -0.200 4.141 4.340 0.001 0.000 0.208 62 L C 2.307 179.093 176.870 -0.140 0.000 1.073 62 L CA 1.867 56.658 54.840 -0.081 0.000 0.745 62 L CB -0.459 41.565 42.059 -0.058 0.000 0.894 62 L HN 0.119 nan 8.230 nan 0.000 0.432 63 L N -0.913 120.199 121.223 -0.185 0.000 2.017 63 L HA -0.178 4.163 4.340 0.001 0.000 0.208 63 L C 2.761 179.434 176.870 -0.329 0.000 1.073 63 L CA 0.982 55.660 54.840 -0.270 0.000 0.745 63 L CB -0.648 41.231 42.059 -0.300 0.000 0.894 63 L HN 0.210 nan 8.230 nan 0.000 0.432 64 R N 0.149 120.421 120.500 -0.380 0.000 2.115 64 R HA -0.027 4.314 4.340 0.001 0.000 0.230 64 R C 2.268 178.438 176.300 -0.218 0.000 1.111 64 R CA 1.255 57.149 56.100 -0.343 0.000 0.976 64 R CB -0.973 29.120 30.300 -0.344 0.000 0.870 64 R HN 0.352 nan 8.270 nan 0.000 0.445 65 A N 1.621 124.342 122.820 -0.165 0.000 1.972 65 A HA -0.121 4.199 4.320 0.001 0.000 0.219 65 A C 1.671 179.177 177.584 -0.129 0.000 1.169 65 A CA 1.294 53.258 52.037 -0.122 0.000 0.635 65 A CB -0.311 18.627 19.000 -0.103 0.000 0.810 65 A HN 0.273 nan 8.150 nan 0.000 0.446 66 N N -0.686 117.918 118.700 -0.161 0.000 2.322 66 N HA 0.112 4.852 4.740 0.001 0.000 0.194 66 N C 0.947 176.341 175.510 -0.192 0.000 1.126 66 N CA 0.835 53.788 53.050 -0.163 0.000 0.845 66 N CB 0.270 38.655 38.487 -0.170 0.000 0.976 66 N HN 0.596 nan 8.380 nan 0.000 0.475 67 G N 1.640 110.314 108.800 -0.210 0.000 2.221 67 G HA2 -0.277 3.683 3.960 0.001 0.000 0.265 67 G HA3 -0.277 3.683 3.960 0.001 0.000 0.265 67 G C 0.019 174.725 174.900 -0.323 0.000 1.041 67 G CA -0.078 44.888 45.100 -0.223 0.000 0.807 67 G HN 0.329 nan 8.290 nan 0.000 0.502 68 I N 0.111 120.432 120.570 -0.415 0.000 2.371 68 I HA 0.395 4.565 4.170 0.001 0.000 0.290 68 I C 0.839 176.553 176.117 -0.672 0.000 1.028 68 I CA -0.730 60.189 61.300 -0.635 0.000 1.345 68 I CB 0.302 37.895 38.000 -0.679 0.000 1.407 68 I HN 0.124 nan 8.210 nan 0.000 0.501 69 F N 4.165 123.609 119.950 -0.843 0.000 2.891 69 F HA -0.106 4.421 4.527 0.001 0.000 0.272 69 F C 0.815 176.007 175.800 -1.014 0.000 1.004 69 F CA 0.870 58.054 58.000 -1.360 0.000 0.938 69 F CB -2.163 36.418 39.000 -0.698 0.000 0.939 69 F HN 0.821 nan 8.300 nan 0.000 0.833 70 G N -0.957 107.455 108.800 -0.647 0.000 2.347 70 G HA2 0.321 4.281 3.960 0.001 0.000 0.321 70 G HA3 0.321 4.281 3.960 0.001 0.000 0.321 70 G C -0.575 174.235 174.900 -0.151 0.000 1.412 70 G CA -0.686 44.316 45.100 -0.163 0.000 0.990 70 G HN 1.016 nan 8.290 nan 0.000 0.637 71 H N 0.044 119.100 119.070 -0.024 0.000 2.897 71 H HA 0.578 5.134 4.556 0.001 0.000 0.347 71 H C 0.621 175.898 175.328 -0.085 0.000 1.068 71 H CA 0.337 56.360 56.048 -0.041 0.000 1.426 71 H CB 0.774 30.528 29.762 -0.013 0.000 1.410 71 H HN 1.292 nan 8.280 nan 0.000 0.597 72 A N 4.350 127.153 122.820 -0.028 0.000 2.462 72 A HA 0.359 4.679 4.320 0.001 0.000 0.243 72 A C 0.222 177.783 177.584 -0.039 0.000 1.076 72 A CA -0.474 51.510 52.037 -0.088 0.000 0.773 72 A CB -0.025 18.943 19.000 -0.054 0.000 1.010 72 A HN 0.717 nan 8.150 nan 0.000 0.493 73 L N 2.008 123.178 121.223 -0.088 0.000 2.333 73 L HA 0.336 4.676 4.340 0.001 0.000 0.280 73 L C 0.672 177.538 176.870 -0.006 0.000 1.004 73 L CA -0.530 54.302 54.840 -0.013 0.000 0.820 73 L CB 1.869 43.919 42.059 -0.014 0.000 1.247 73 L HN 0.769 nan 8.230 nan 0.000 0.416 74 T N 3.629 118.196 114.554 0.022 0.000 2.888 74 T HA 0.122 4.473 4.350 0.001 0.000 0.301 74 T C -1.465 173.240 174.700 0.010 0.000 1.001 74 T CA -1.073 61.029 62.100 0.004 0.000 1.147 74 T CB 1.034 69.915 68.868 0.021 0.000 0.931 74 T HN 0.376 nan 8.240 nan 0.000 0.541 75 P HA -0.095 nan 4.420 nan 0.000 0.215 75 P C 0.084 177.412 177.300 0.046 0.000 1.157 75 P CA 1.332 64.405 63.100 -0.045 0.000 0.874 75 P CB -0.051 31.547 31.700 -0.169 0.000 0.790 76 H N -0.392 118.692 119.070 0.023 0.000 2.966 76 H HA 0.292 4.849 4.556 0.001 0.000 0.217 76 H C 0.138 175.484 175.328 0.030 0.000 1.906 76 H CA -0.648 55.413 56.048 0.022 0.000 1.351 76 H CB -0.624 29.144 29.762 0.010 0.000 1.722 76 H HN 0.138 nan 8.280 nan 0.000 0.562 77 S N -0.885 114.909 115.700 0.158 0.000 2.537 77 S HA 0.146 4.616 4.470 0.001 0.000 0.270 77 S C 0.626 175.298 174.600 0.119 0.000 1.142 77 S CA -0.917 57.355 58.200 0.121 0.000 0.870 77 S CB 1.483 64.752 63.200 0.115 0.000 1.112 77 S HN 0.082 nan 8.310 nan 0.000 0.466 78 V N 1.496 121.477 119.914 0.111 0.000 2.515 78 V HA -0.129 3.991 4.120 0.001 0.000 0.250 78 V C 2.134 178.289 176.094 0.102 0.000 1.058 78 V CA 2.053 64.421 62.300 0.112 0.000 1.064 78 V CB -0.849 31.048 31.823 0.124 0.000 0.675 78 V HN 0.914 nan 8.190 nan 0.000 0.461 79 D N 0.769 121.255 120.400 0.144 0.000 2.116 79 D HA -0.198 4.442 4.640 0.001 0.000 0.193 79 D C 2.274 178.743 176.300 0.282 0.000 0.998 79 D CA 1.847 55.987 54.000 0.233 0.000 0.836 79 D CB -0.203 40.773 40.800 0.293 0.000 0.951 79 D HN 0.461 nan 8.370 nan 0.000 0.449 80 A N 0.658 123.603 122.820 0.208 0.000 1.940 80 A HA -0.157 4.164 4.320 0.001 0.000 0.219 80 A C 2.595 180.274 177.584 0.158 0.000 1.176 80 A CA 1.387 53.544 52.037 0.201 0.000 0.631 80 A CB -0.706 18.375 19.000 0.135 0.000 0.814 80 A HN 0.163 nan 8.150 nan 0.000 0.446 81 V N 0.051 120.013 119.914 0.079 0.000 2.307 81 V HA -0.254 3.867 4.120 0.001 0.000 0.245 81 V C 2.421 178.427 176.094 -0.147 0.000 1.045 81 V CA 1.991 64.286 62.300 -0.007 0.000 1.024 81 V CB -0.683 31.139 31.823 -0.000 0.000 0.651 81 V HN 0.571 nan 8.190 nan 0.000 0.449 82 I N -1.129 119.314 120.570 -0.212 0.000 2.179 82 I HA -0.285 3.886 4.170 0.001 0.000 0.242 82 I C 2.447 178.066 176.117 -0.830 0.000 1.088 82 I CA 1.966 62.932 61.300 -0.556 0.000 1.357 82 I CB -0.407 37.280 38.000 -0.522 0.000 1.051 82 I HN 0.269 nan 8.210 nan 0.000 0.409 83 Y N 0.555 120.673 120.300 -0.303 0.000 2.293 83 Y HA -0.176 4.375 4.550 0.001 0.000 0.291 83 Y C 2.584 178.130 175.900 -0.589 0.000 1.137 83 Y CA 1.168 59.151 58.100 -0.196 0.000 1.202 83 Y CB -0.704 37.863 38.460 0.179 0.000 0.990 83 Y HN 0.122 nan 8.280 nan 0.000 0.537 84 A N 0.145 122.755 122.820 -0.351 0.000 1.930 84 A HA -0.200 4.120 4.320 0.001 0.000 0.217 84 A C 2.052 179.366 177.584 -0.450 0.000 1.175 84 A CA 1.730 53.469 52.037 -0.498 0.000 0.627 84 A CB -0.558 18.425 19.000 -0.028 0.000 0.815 84 A HN 0.504 nan 8.150 nan 0.000 0.443 85 E N -0.969 118.977 120.200 -0.423 0.000 2.110 85 E HA -0.177 4.173 4.350 0.001 0.000 0.193 85 E C 1.629 178.035 176.600 -0.322 0.000 0.988 85 E CA 1.254 57.431 56.400 -0.371 0.000 0.804 85 E CB -0.296 29.148 29.700 -0.426 0.000 0.745 85 E HN 0.666 nan 8.360 nan 0.000 0.458 86 F N 0.822 120.561 119.950 -0.351 0.000 2.171 86 F HA -0.117 4.411 4.527 0.001 0.000 0.300 86 F C 2.408 177.825 175.800 -0.638 0.000 1.090 86 F CA 0.879 58.655 58.000 -0.374 0.000 1.293 86 F CB -1.111 37.725 39.000 -0.274 0.000 1.013 86 F HN -0.003 nan 8.300 nan 0.000 0.486 87 A N 0.016 122.435 122.820 -0.670 0.000 1.902 87 A HA -0.122 4.199 4.320 0.001 0.000 0.217 87 A C 2.448 179.724 177.584 -0.513 0.000 1.181 87 A CA 1.945 53.417 52.037 -0.941 0.000 0.623 87 A CB -1.233 17.406 19.000 -0.602 0.000 0.818 87 A HN 0.173 nan 8.150 nan 0.000 0.443 88 V N -0.096 119.614 119.914 -0.338 0.000 2.343 88 V HA -0.250 3.870 4.120 0.001 0.000 0.247 88 V C 3.055 178.983 176.094 -0.277 0.000 1.051 88 V CA 1.840 64.000 62.300 -0.233 0.000 1.036 88 V CB -1.252 30.474 31.823 -0.160 0.000 0.654 88 V HN 0.628 nan 8.190 nan 0.000 0.451 89 A N 0.863 123.536 122.820 -0.245 0.000 1.917 89 A HA -0.298 4.022 4.320 0.001 0.000 0.219 89 A C 2.545 179.892 177.584 -0.394 0.000 1.182 89 A CA 2.902 54.763 52.037 -0.293 0.000 0.633 89 A CB -1.155 17.886 19.000 0.068 0.000 0.819 89 A HN 0.658 nan 8.150 nan 0.000 0.448 90 T N -2.588 111.778 114.554 -0.313 0.000 2.788 90 T HA 0.002 4.352 4.350 0.001 0.000 0.268 90 T C 1.901 176.479 174.700 -0.203 0.000 1.044 90 T CA 1.801 63.781 62.100 -0.200 0.000 1.139 90 T CB -0.990 67.843 68.868 -0.059 0.000 0.867 90 T HN 0.468 nan 8.240 nan 0.000 0.454 91 G N 1.526 110.185 108.800 -0.235 0.000 2.418 91 G HA2 -0.041 3.920 3.960 0.001 0.000 0.217 91 G HA3 -0.041 3.920 3.960 0.001 0.000 0.217 91 G C 1.567 176.352 174.900 -0.192 0.000 1.158 91 G CA 0.820 45.815 45.100 -0.176 0.000 0.771 91 G HN 0.542 nan 8.290 nan 0.000 0.545 92 L N -0.048 120.957 121.223 -0.364 0.000 2.156 92 L HA 0.088 4.428 4.340 0.001 0.000 0.208 92 L C 2.788 179.399 176.870 -0.431 0.000 1.095 92 L CA 0.330 54.881 54.840 -0.481 0.000 0.770 92 L CB -0.271 41.248 42.059 -0.900 0.000 0.914 92 L HN 0.191 nan 8.230 nan 0.000 0.439 93 I N 0.020 120.302 120.570 -0.479 0.000 2.179 93 I HA -0.286 3.884 4.170 0.001 0.000 0.242 93 I C 2.822 178.906 176.117 -0.056 0.000 1.088 93 I CA 1.266 62.402 61.300 -0.273 0.000 1.357 93 I CB -0.472 37.293 38.000 -0.393 0.000 1.051 93 I HN 0.188 nan 8.210 nan 0.000 0.409 94 A N 0.485 123.286 122.820 -0.031 0.000 1.908 94 A HA -0.281 4.039 4.320 0.001 0.000 0.218 94 A C 2.419 180.080 177.584 0.128 0.000 1.181 94 A CA 1.979 54.073 52.037 0.094 0.000 0.627 94 A CB -0.729 18.369 19.000 0.164 0.000 0.818 94 A HN 0.489 nan 8.150 nan 0.000 0.445 95 M N -0.120 119.535 119.600 0.093 0.000 2.149 95 M HA -0.130 4.351 4.480 0.001 0.000 0.261 95 M C 2.002 178.402 176.300 0.167 0.000 1.064 95 M CA 1.982 57.372 55.300 0.150 0.000 1.102 95 M CB -0.458 32.175 32.600 0.053 0.000 1.369 95 M HN 0.389 nan 8.290 nan 0.000 0.408 96 G N -0.501 108.391 108.800 0.152 0.000 2.450 96 G HA2 -0.177 3.783 3.960 0.001 0.000 0.220 96 G HA3 -0.177 3.783 3.960 0.001 0.000 0.220 96 G C 1.465 176.498 174.900 0.220 0.000 1.130 96 G CA 0.929 46.163 45.100 0.223 0.000 0.760 96 G HN 0.651 nan 8.290 nan 0.000 0.557 97 A N 0.264 123.190 122.820 0.178 0.000 1.930 97 A HA 0.149 4.469 4.320 0.001 0.000 0.217 97 A C 2.390 180.068 177.584 0.155 0.000 1.175 97 A CA 2.156 54.282 52.037 0.149 0.000 0.627 97 A CB -0.356 18.707 19.000 0.106 0.000 0.815 97 A HN 0.938 nan 8.150 nan 0.000 0.443 98 V N -3.003 117.016 119.914 0.176 0.000 3.578 98 V HA 0.377 4.498 4.120 0.001 0.000 0.290 98 V C 0.660 176.885 176.094 0.218 0.000 1.376 98 V CA -0.575 61.824 62.300 0.164 0.000 1.083 98 V CB -1.008 30.895 31.823 0.135 0.000 0.911 98 V HN 0.283 nan 8.190 nan 0.000 0.433 99 L N 3.379 124.764 121.223 0.270 0.000 2.640 99 L HA 0.497 4.837 4.340 0.001 0.000 0.280 99 L C 1.347 178.306 176.870 0.149 0.000 1.229 99 L CA 2.075 57.096 54.840 0.302 0.000 0.919 99 L CB 0.070 42.282 42.059 0.255 0.000 1.168 99 L HN 0.674 nan 8.230 nan 0.000 0.496 100 G N 3.932 112.708 108.800 -0.041 0.000 2.217 100 G HA2 -0.292 3.668 3.960 0.001 0.000 0.246 100 G HA3 -0.292 3.668 3.960 0.001 0.000 0.246 100 G C 1.084 175.625 174.900 -0.598 0.000 0.990 100 G CA 0.436 45.084 45.100 -0.753 0.000 0.627 100 G HN 0.631 nan 8.290 nan 0.000 0.522 101 R N -0.934 119.398 120.500 -0.281 0.000 2.472 101 R HA 0.443 4.784 4.340 0.001 0.000 0.279 101 R C -0.145 176.044 176.300 -0.185 0.000 0.953 101 R CA -0.164 55.778 56.100 -0.262 0.000 1.088 101 R CB 0.459 30.645 30.300 -0.189 0.000 1.197 101 R HN 0.284 nan 8.270 nan 0.000 0.536 102 L N 0.876 121.987 121.223 -0.187 0.000 2.334 102 L HA 0.372 4.712 4.340 0.001 0.000 0.273 102 L C 0.301 176.956 176.870 -0.359 0.000 1.013 102 L CA -0.610 54.004 54.840 -0.377 0.000 0.816 102 L CB 1.410 43.039 42.059 -0.715 0.000 1.278 102 L HN -0.118 nan 8.230 nan 0.000 0.431 103 R N 1.069 121.316 120.500 -0.421 0.000 2.643 103 R HA 0.125 4.465 4.340 0.001 0.000 0.270 103 R C 1.042 177.070 176.300 -0.453 0.000 1.061 103 R CA -0.440 55.449 56.100 -0.352 0.000 1.107 103 R CB 0.444 30.482 30.300 -0.437 0.000 0.999 103 R HN 0.434 nan 8.270 nan 0.000 0.460 104 V N 3.202 123.057 119.914 -0.098 0.000 2.324 104 V HA -0.312 3.808 4.120 0.001 0.000 0.250 104 V C 1.939 178.056 176.094 0.038 0.000 1.060 104 V CA 2.223 64.591 62.300 0.114 0.000 1.042 104 V CB -0.742 31.186 31.823 0.175 0.000 0.650 104 V HN 0.834 nan 8.190 nan 0.000 0.450 105 F N 1.116 121.054 119.950 -0.020 0.000 2.269 105 F HA -0.166 4.362 4.527 0.001 0.000 0.301 105 F C 2.133 177.899 175.800 -0.057 0.000 1.082 105 F CA 1.411 59.397 58.000 -0.023 0.000 1.360 105 F CB -0.982 37.994 39.000 -0.041 0.000 1.041 105 F HN 0.161 nan 8.300 nan 0.000 0.512 106 Q N -0.580 118.716 119.800 -0.839 0.000 2.369 106 Q HA -0.129 4.211 4.340 0.001 0.000 0.206 106 Q C 1.648 177.436 176.000 -0.354 0.000 0.963 106 Q CA 1.127 56.542 55.803 -0.646 0.000 0.894 106 Q CB -0.409 27.861 28.738 -0.780 0.000 0.965 106 Q HN 0.559 nan 8.270 nan 0.000 0.475 107 Y N 0.235 120.484 120.300 -0.084 0.000 2.224 107 Y HA -0.182 4.368 4.550 0.001 0.000 0.289 107 Y C 2.393 178.283 175.900 -0.016 0.000 1.146 107 Y CA 0.932 59.023 58.100 -0.015 0.000 1.182 107 Y CB -0.619 37.854 38.460 0.022 0.000 0.983 107 Y HN 0.136 nan 8.280 nan 0.000 0.524 108 A N 0.155 123.044 122.820 0.115 0.000 1.902 108 A HA -0.128 4.192 4.320 0.001 0.000 0.217 108 A C 2.262 179.815 177.584 -0.053 0.000 1.181 108 A CA 1.431 53.499 52.037 0.052 0.000 0.623 108 A CB -1.059 17.985 19.000 0.072 0.000 0.818 108 A HN 0.462 nan 8.150 nan 0.000 0.443 109 L N -1.038 120.125 121.223 -0.100 0.000 2.046 109 L HA -0.182 4.159 4.340 0.001 0.000 0.208 109 L C 2.569 179.229 176.870 -0.350 0.000 1.077 109 L CA 1.202 55.852 54.840 -0.317 0.000 0.747 109 L CB -0.588 41.354 42.059 -0.196 0.000 0.896 109 L HN 0.475 nan 8.230 nan 0.000 0.432 110 L N 0.380 121.568 121.223 -0.059 0.000 2.012 110 L HA -0.204 4.136 4.340 0.001 0.000 0.210 110 L C 2.648 179.557 176.870 0.066 0.000 1.073 110 L CA 2.129 57.034 54.840 0.109 0.000 0.748 110 L CB -0.713 41.446 42.059 0.167 0.000 0.891 110 L HN 0.158 nan 8.230 nan 0.000 0.431 111 A N -0.624 122.199 122.820 0.005 0.000 1.902 111 A HA -0.178 4.143 4.320 0.001 0.000 0.217 111 A C 2.295 179.864 177.584 -0.024 0.000 1.181 111 A CA 1.958 53.989 52.037 -0.010 0.000 0.623 111 A CB -0.949 18.048 19.000 -0.005 0.000 0.818 111 A HN 0.510 nan 8.150 nan 0.000 0.443 112 L N -1.781 119.366 121.223 -0.126 0.000 2.079 112 L HA -0.202 4.139 4.340 0.001 0.000 0.210 112 L C 2.388 179.257 176.870 -0.002 0.000 1.081 112 L CA 1.322 56.068 54.840 -0.158 0.000 0.752 112 L CB -0.459 41.371 42.059 -0.380 0.000 0.896 112 L HN 0.405 nan 8.230 nan 0.000 0.433 113 F N -1.256 118.775 119.950 0.136 0.000 2.317 113 F HA -0.041 4.487 4.527 0.001 0.000 0.293 113 F C 2.262 178.184 175.800 0.202 0.000 1.085 113 F CA 0.431 58.550 58.000 0.198 0.000 1.390 113 F CB -0.550 38.603 39.000 0.254 0.000 1.077 113 F HN -0.080 nan 8.300 nan 0.000 0.517 114 I N -0.728 119.965 120.570 0.205 0.000 2.353 114 I HA -0.187 3.983 4.170 0.001 0.000 0.248 114 I C 2.108 178.260 176.117 0.059 0.000 1.119 114 I CA 0.676 61.858 61.300 -0.198 0.000 1.417 114 I CB -0.033 37.606 38.000 -0.601 0.000 1.078 114 I HN -0.120 nan 8.210 nan 0.000 0.421 115 V N 2.471 122.456 119.914 0.119 0.000 2.255 115 V HA -0.187 3.934 4.120 0.001 0.000 0.247 115 V C -0.395 175.878 176.094 0.298 0.000 1.051 115 V CA 2.301 64.727 62.300 0.210 0.000 1.018 115 V CB -2.047 29.886 31.823 0.182 0.000 0.641 115 V HN 0.372 nan 8.190 nan 0.000 0.445 116 P HA -0.073 nan 4.420 nan 0.000 0.218 116 P C 1.831 179.302 177.300 0.286 0.000 1.149 116 P CA 1.121 64.388 63.100 0.279 0.000 0.817 116 P CB -0.061 31.798 31.700 0.265 0.000 0.785 117 V N -1.180 118.916 119.914 0.303 0.000 2.379 117 V HA -0.250 3.870 4.120 0.001 0.000 0.245 117 V C 2.353 178.552 176.094 0.175 0.000 1.044 117 V CA 1.595 64.091 62.300 0.326 0.000 1.036 117 V CB -1.500 30.660 31.823 0.563 0.000 0.664 117 V HN 0.038 nan 8.190 nan 0.000 0.453 118 Y N 0.950 121.236 120.300 -0.024 0.000 2.128 118 Y HA -0.283 4.268 4.550 0.001 0.000 0.284 118 Y C 2.251 178.034 175.900 -0.195 0.000 1.154 118 Y CA 2.056 59.871 58.100 -0.475 0.000 1.149 118 Y CB -0.344 37.958 38.460 -0.263 0.000 0.976 118 Y HN 0.215 nan 8.280 nan 0.000 0.505 119 L N 0.016 121.246 121.223 0.012 0.000 2.017 119 L HA -0.160 4.180 4.340 0.001 0.000 0.208 119 L C 2.293 179.125 176.870 -0.064 0.000 1.073 119 L CA 1.830 56.688 54.840 0.030 0.000 0.745 119 L CB -1.255 40.939 42.059 0.224 0.000 0.894 119 L HN 0.453 nan 8.230 nan 0.000 0.432 120 L N 0.057 121.213 121.223 -0.112 0.000 2.012 120 L HA -0.267 4.074 4.340 0.001 0.000 0.210 120 L C 2.342 179.087 176.870 -0.208 0.000 1.073 120 L CA 2.177 56.794 54.840 -0.372 0.000 0.748 120 L CB -1.167 40.649 42.059 -0.405 0.000 0.891 120 L HN 0.561 nan 8.230 nan 0.000 0.431 121 N N -0.558 117.993 118.700 -0.248 0.000 2.120 121 N HA -0.269 4.472 4.740 0.001 0.000 0.188 121 N C 1.928 177.250 175.510 -0.313 0.000 1.024 121 N CA 1.463 54.347 53.050 -0.276 0.000 0.852 121 N CB -0.063 38.209 38.487 -0.359 0.000 1.003 121 N HN 0.599 nan 8.380 nan 0.000 0.424 122 E N -0.390 119.556 120.200 -0.424 0.000 2.070 122 E HA -0.232 4.118 4.350 0.001 0.000 0.197 122 E C 1.806 178.352 176.600 -0.091 0.000 1.004 122 E CA 1.348 57.554 56.400 -0.323 0.000 0.805 122 E CB -0.298 29.144 29.700 -0.430 0.000 0.744 122 E HN 0.459 nan 8.360 nan 0.000 0.451 123 W N 1.091 122.250 121.300 -0.235 0.000 2.378 123 W HA -0.106 4.555 4.660 0.001 0.000 0.313 123 W C 1.942 178.360 176.519 -0.168 0.000 1.197 123 W CA 1.334 58.584 57.345 -0.157 0.000 1.304 123 W CB -0.585 28.800 29.460 -0.125 0.000 1.148 123 W HN 0.060 nan 8.180 nan 0.000 0.494 124 L N -0.466 120.601 121.223 -0.259 0.000 2.046 124 L HA -0.226 4.114 4.340 0.001 0.000 0.208 124 L C 2.095 178.748 176.870 -0.362 0.000 1.077 124 L CA 1.356 55.945 54.840 -0.418 0.000 0.747 124 L CB -1.115 40.766 42.059 -0.297 0.000 0.896 124 L HN -0.114 nan 8.230 nan 0.000 0.432 125 V N -0.761 118.953 119.914 -0.334 0.000 2.391 125 V HA -0.103 4.017 4.120 0.001 0.000 0.237 125 V C 2.138 178.001 176.094 -0.385 0.000 1.046 125 V CA 0.813 62.845 62.300 -0.447 0.000 1.053 125 V CB -0.175 31.292 31.823 -0.593 0.000 0.704 125 V HN 0.231 nan 8.190 nan 0.000 0.475 126 L N 0.141 121.212 121.223 -0.254 0.000 2.093 126 L HA -0.110 4.231 4.340 0.001 0.000 0.208 126 L C 1.923 178.777 176.870 -0.026 0.000 1.085 126 L CA 1.672 56.469 54.840 -0.070 0.000 0.755 126 L CB -0.410 41.653 42.059 0.006 0.000 0.904 126 L HN 0.371 nan 8.230 nan 0.000 0.435 127 D N -0.488 119.876 120.400 -0.060 0.000 2.339 127 D HA -0.045 4.596 4.640 0.001 0.000 0.217 127 D C 0.614 176.833 176.300 -0.135 0.000 1.050 127 D CA -0.034 53.948 54.000 -0.031 0.000 0.856 127 D CB -0.027 40.820 40.800 0.078 0.000 0.922 127 D HN 0.128 nan 8.370 nan 0.000 0.518 128 N N -0.879 117.703 118.700 -0.196 0.000 2.735 128 N HA -0.284 4.456 4.740 0.001 0.000 0.248 128 N C 0.725 176.040 175.510 -0.325 0.000 1.083 128 N CA 0.728 53.646 53.050 -0.220 0.000 0.703 128 N CB -1.210 37.205 38.487 -0.119 0.000 1.005 128 N HN 0.194 nan 8.380 nan 0.000 0.550 129 A N -0.673 121.807 122.820 -0.567 0.000 2.067 129 A HA -0.069 4.252 4.320 0.001 0.000 0.219 129 A C 2.231 179.462 177.584 -0.590 0.000 1.158 129 A CA 1.735 53.266 52.037 -0.842 0.000 0.661 129 A CB -0.709 17.072 19.000 -2.032 0.000 0.801 129 A HN 0.899 nan 8.150 nan 0.000 0.452 130 S N -1.470 113.964 115.700 -0.442 0.000 2.423 130 S HA 0.237 4.707 4.470 0.001 0.000 0.231 130 S C 1.693 176.170 174.600 -0.205 0.000 1.014 130 S CA 1.330 59.355 58.200 -0.291 0.000 0.965 130 S CB -0.694 62.361 63.200 -0.243 0.000 0.785 130 S HN 1.904 nan 8.310 nan 0.000 0.495 131 G N 0.793 109.477 108.800 -0.194 0.000 2.162 131 G HA2 -0.225 3.735 3.960 0.001 0.000 0.260 131 G HA3 -0.225 3.735 3.960 0.001 0.000 0.260 131 G C 0.439 175.282 174.900 -0.096 0.000 0.976 131 G CA 0.569 45.593 45.100 -0.128 0.000 0.655 131 G HN 0.603 nan 8.290 nan 0.000 0.533 132 L N 0.365 121.523 121.223 -0.107 0.000 2.966 132 L HA 0.304 4.644 4.340 0.001 0.000 0.262 132 L C 1.750 178.583 176.870 -0.062 0.000 1.165 132 L CA 0.927 55.721 54.840 -0.076 0.000 0.978 132 L CB 0.767 42.779 42.059 -0.078 0.000 1.337 132 L HN 0.348 nan 8.230 nan 0.000 0.563 133 T N -4.631 109.875 114.554 -0.079 0.000 3.288 133 T HA 0.157 4.508 4.350 0.001 0.000 0.293 133 T C 0.260 174.972 174.700 0.020 0.000 1.008 133 T CA -0.367 61.704 62.100 -0.048 0.000 0.929 133 T CB 0.133 68.881 68.868 -0.201 0.000 1.152 133 T HN 0.072 nan 8.240 nan 0.000 0.517 134 E N 0.988 121.190 120.200 0.004 0.000 2.417 134 E HA 0.394 4.745 4.350 0.001 0.000 0.261 134 E C 1.322 177.955 176.600 0.055 0.000 1.000 134 E CA 1.164 57.577 56.400 0.022 0.000 0.919 134 E CB -0.263 29.438 29.700 0.001 0.000 0.955 134 E HN 0.595 nan 8.360 nan 0.000 0.455 135 G N 3.983 112.825 108.800 0.070 0.000 2.175 135 G HA2 -0.316 3.644 3.960 0.001 0.000 0.244 135 G HA3 -0.316 3.644 3.960 0.001 0.000 0.244 135 G C 0.053 175.005 174.900 0.086 0.000 0.982 135 G CA -0.097 45.040 45.100 0.061 0.000 0.641 135 G HN 0.594 nan 8.290 nan 0.000 0.527 136 F N 1.613 121.548 119.950 -0.025 0.000 2.623 136 F HA 0.437 4.964 4.527 0.001 0.000 0.383 136 F C 0.700 176.492 175.800 -0.013 0.000 1.077 136 F CA 0.630 58.614 58.000 -0.027 0.000 1.268 136 F CB 0.819 39.799 39.000 -0.033 0.000 1.053 136 F HN 0.219 nan 8.300 nan 0.000 0.571 137 Q N 4.813 124.284 119.800 -0.549 0.000 2.394 137 Q HA 0.279 4.620 4.340 0.001 0.000 0.259 137 Q C -1.585 174.147 176.000 -0.447 0.000 1.021 137 Q CA -0.267 55.328 55.803 -0.347 0.000 0.805 137 Q CB 0.907 29.501 28.738 -0.241 0.000 1.226 137 Q HN 0.593 nan 8.270 nan 0.000 0.476 138 D N 1.755 122.049 120.400 -0.178 0.000 3.250 138 D HA 0.202 4.842 4.640 0.001 0.000 0.252 138 D C -0.094 176.227 176.300 0.036 0.000 1.342 138 D CA 0.081 54.048 54.000 -0.056 0.000 0.807 138 D CB 0.275 41.131 40.800 0.093 0.000 1.449 138 D HN 0.456 nan 8.370 nan 0.000 0.610 139 S N -0.007 115.701 115.700 0.013 0.000 2.374 139 S HA -0.119 4.351 4.470 0.001 0.000 0.227 139 S C 1.593 176.190 174.600 -0.005 0.000 1.037 139 S CA 1.419 59.631 58.200 0.019 0.000 1.024 139 S CB 0.185 63.395 63.200 0.017 0.000 0.861 139 S HN 0.527 nan 8.310 nan 0.000 0.456 140 A N -0.554 122.280 122.820 0.023 0.000 2.589 140 A HA 0.596 4.917 4.320 0.001 0.000 0.283 140 A C 1.061 178.689 177.584 0.073 0.000 1.187 140 A CA 0.315 52.350 52.037 -0.003 0.000 0.957 140 A CB -0.246 18.831 19.000 0.129 0.000 1.175 140 A HN 0.865 nan 8.150 nan 0.000 0.532 141 G N -0.055 108.803 108.800 0.096 0.000 2.212 141 G HA2 -0.244 3.717 3.960 0.001 0.000 0.255 141 G HA3 -0.244 3.717 3.960 0.001 0.000 0.255 141 G C 0.892 176.012 174.900 0.368 0.000 1.062 141 G CA 0.610 45.810 45.100 0.165 0.000 0.815 141 G HN 0.506 nan 8.290 nan 0.000 0.497 142 S N -0.624 115.296 115.700 0.367 0.000 2.380 142 S HA -0.150 4.321 4.470 0.001 0.000 0.229 142 S C 2.308 177.143 174.600 0.392 0.000 1.043 142 S CA 1.411 59.846 58.200 0.393 0.000 1.038 142 S CB -0.046 63.288 63.200 0.223 0.000 0.872 142 S HN 0.513 nan 8.310 nan 0.000 0.456 143 I N 0.790 121.561 120.570 0.334 0.000 2.512 143 I HA 0.139 4.309 4.170 0.001 0.000 0.247 143 I C 2.647 178.986 176.117 0.370 0.000 1.094 143 I CA 0.899 62.417 61.300 0.364 0.000 1.427 143 I CB -1.732 36.506 38.000 0.397 0.000 1.149 143 I HN 0.224 nan 8.210 nan 0.000 0.438 144 A N 0.604 123.608 122.820 0.308 0.000 2.015 144 A HA -0.065 4.255 4.320 0.001 0.000 0.219 144 A C 2.271 180.029 177.584 0.290 0.000 1.163 144 A CA 1.416 53.580 52.037 0.210 0.000 0.646 144 A CB -0.346 18.721 19.000 0.112 0.000 0.806 144 A HN 0.396 nan 8.150 nan 0.000 0.448 145 I N -2.988 117.741 120.570 0.265 0.000 3.132 145 I HA 0.058 4.228 4.170 0.001 0.000 0.255 145 I C 2.335 178.544 176.117 0.153 0.000 1.118 145 I CA 0.199 61.592 61.300 0.155 0.000 1.463 145 I CB -0.370 37.578 38.000 -0.086 0.000 1.356 145 I HN 0.260 nan 8.210 nan 0.000 0.463 146 H N 1.038 120.326 119.070 0.363 0.000 2.284 146 H HA 0.078 4.634 4.556 0.001 0.000 0.304 146 H C 2.321 177.866 175.328 0.362 0.000 1.069 146 H CA 1.680 57.955 56.048 0.377 0.000 1.327 146 H CB -0.282 29.747 29.762 0.445 0.000 1.387 146 H HN 0.298 nan 8.280 nan 0.000 0.498 147 A N 1.337 124.462 122.820 0.509 0.000 1.883 147 A HA -0.194 4.126 4.320 0.001 0.000 0.217 147 A C 2.357 180.264 177.584 0.538 0.000 1.186 147 A CA 1.505 53.852 52.037 0.518 0.000 0.624 147 A CB -1.139 18.169 19.000 0.513 0.000 0.822 147 A HN 0.342 nan 8.150 nan 0.000 0.444 148 F N 1.123 121.287 119.950 0.357 0.000 2.065 148 F HA -0.116 4.411 4.527 0.001 0.000 0.298 148 F C 2.352 178.338 175.800 0.310 0.000 1.112 148 F CA 1.961 60.159 58.000 0.329 0.000 1.212 148 F CB -0.777 38.391 39.000 0.280 0.000 0.975 148 F HN 0.204 nan 8.300 nan 0.000 0.476 149 G N -0.497 108.481 108.800 0.297 0.000 2.440 149 G HA2 -0.232 3.729 3.960 0.001 0.000 0.218 149 G HA3 -0.232 3.729 3.960 0.001 0.000 0.218 149 G C 1.784 176.721 174.900 0.062 0.000 1.154 149 G CA 0.917 46.078 45.100 0.101 0.000 0.767 149 G HN 0.664 nan 8.290 nan 0.000 0.552 150 A N 0.106 122.977 122.820 0.086 0.000 1.877 150 A HA 0.041 4.362 4.320 0.001 0.000 0.216 150 A C 2.249 179.766 177.584 -0.112 0.000 1.186 150 A CA 1.537 53.566 52.037 -0.014 0.000 0.620 150 A CB -0.613 18.346 19.000 -0.067 0.000 0.822 150 A HN 0.397 nan 8.150 nan 0.000 0.443 151 Y N -2.019 118.352 120.300 0.118 0.000 2.373 151 Y HA -0.030 4.520 4.550 0.001 0.000 0.293 151 Y C 2.048 177.935 175.900 -0.022 0.000 1.129 151 Y CA 0.837 58.970 58.100 0.055 0.000 1.226 151 Y CB -0.595 37.906 38.460 0.069 0.000 1.000 151 Y HN 0.413 nan 8.280 nan 0.000 0.549 152 F N 0.347 120.218 119.950 -0.131 0.000 2.102 152 F HA -0.127 4.401 4.527 0.001 0.000 0.298 152 F C 2.419 178.175 175.800 -0.073 0.000 1.105 152 F CA 1.732 59.610 58.000 -0.203 0.000 1.239 152 F CB -0.628 38.106 39.000 -0.443 0.000 0.991 152 F HN 0.021 nan 8.300 nan 0.000 0.474 153 G N 0.521 109.447 108.800 0.209 0.000 2.440 153 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 153 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 153 G C 1.718 176.646 174.900 0.046 0.000 1.154 153 G CA 1.148 46.335 45.100 0.146 0.000 0.767 153 G HN 0.416 nan 8.290 nan 0.000 0.552 154 L N 0.743 121.972 121.223 0.011 0.000 2.083 154 L HA 0.007 4.348 4.340 0.001 0.000 0.209 154 L C 3.186 180.034 176.870 -0.037 0.000 1.083 154 L CA 0.952 55.783 54.840 -0.016 0.000 0.752 154 L CB -0.716 41.324 42.059 -0.032 0.000 0.899 154 L HN 0.332 nan 8.230 nan 0.000 0.433 155 G N -0.197 108.558 108.800 -0.075 0.000 2.446 155 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 155 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 155 G C 1.591 176.393 174.900 -0.163 0.000 1.168 155 G CA 0.987 45.999 45.100 -0.148 0.000 0.771 155 G HN 0.188 nan 8.290 nan 0.000 0.551 156 V N 0.781 120.589 119.914 -0.177 0.000 2.287 156 V HA -0.203 3.917 4.120 0.001 0.000 0.248 156 V C 3.008 179.075 176.094 -0.045 0.000 1.053 156 V CA 2.266 64.506 62.300 -0.100 0.000 1.027 156 V CB -0.681 31.140 31.823 -0.004 0.000 0.646 156 V HN 0.480 nan 8.190 nan 0.000 0.447 157 S N 0.500 116.188 115.700 -0.020 0.000 2.359 157 S HA -0.213 4.258 4.470 0.001 0.000 0.224 157 S C 1.983 176.571 174.600 -0.021 0.000 1.035 157 S CA 2.244 60.440 58.200 -0.006 0.000 1.018 157 S CB -0.500 62.707 63.200 0.013 0.000 0.876 157 S HN 0.676 nan 8.310 nan 0.000 0.448 158 I N -0.225 120.325 120.570 -0.033 0.000 2.394 158 I HA 0.088 4.259 4.170 0.001 0.000 0.251 158 I C 2.353 178.446 176.117 -0.040 0.000 1.136 158 I CA 1.317 62.597 61.300 -0.033 0.000 1.425 158 I CB -0.677 37.302 38.000 -0.035 0.000 1.079 158 I HN 0.289 nan 8.210 nan 0.000 0.425 159 A N 2.071 124.860 122.820 -0.052 0.000 1.968 159 A HA 0.033 4.353 4.320 0.001 0.000 0.217 159 A C 2.093 179.650 177.584 -0.044 0.000 1.169 159 A CA 1.865 53.869 52.037 -0.054 0.000 0.638 159 A CB -0.490 18.466 19.000 -0.075 0.000 0.812 159 A HN 0.647 nan 8.150 nan 0.000 0.446 160 L N -4.317 116.881 121.223 -0.041 0.000 2.920 160 L HA 0.372 4.713 4.340 0.001 0.000 0.257 160 L C 0.268 177.112 176.870 -0.044 0.000 1.150 160 L CA 0.041 54.856 54.840 -0.041 0.000 0.959 160 L CB -1.050 40.983 42.059 -0.044 0.000 1.321 160 L HN -0.149 nan 8.230 nan 0.000 0.555 161 T N 2.458 116.990 114.554 -0.036 0.000 2.888 161 T HA 0.426 4.776 4.350 0.001 0.000 0.301 161 T C 0.664 175.345 174.700 -0.032 0.000 1.001 161 T CA 0.632 62.712 62.100 -0.034 0.000 1.147 161 T CB 0.530 69.389 68.868 -0.016 0.000 0.931 161 T HN 0.589 nan 8.240 nan 0.000 0.541 162 T N -0.136 114.394 114.554 -0.039 0.000 2.952 162 T HA 0.662 5.012 4.350 0.001 0.000 0.286 162 T C 1.639 176.326 174.700 -0.022 0.000 1.024 162 T CA -0.535 61.545 62.100 -0.032 0.000 1.029 162 T CB 1.397 70.240 68.868 -0.041 0.000 1.094 162 T HN 0.440 nan 8.240 nan 0.000 0.515 163 A N 1.122 123.932 122.820 -0.016 0.000 1.908 163 A HA 0.142 4.462 4.320 0.001 0.000 0.218 163 A C 2.626 180.207 177.584 -0.006 0.000 1.181 163 A CA 2.074 54.107 52.037 -0.007 0.000 0.627 163 A CB -1.606 17.390 19.000 -0.006 0.000 0.818 163 A HN 1.318 nan 8.150 nan 0.000 0.445 164 A N -0.799 122.012 122.820 -0.016 0.000 1.908 164 A HA -0.255 4.065 4.320 0.001 0.000 0.218 164 A C 2.131 179.704 177.584 -0.018 0.000 1.181 164 A CA 1.833 53.859 52.037 -0.017 0.000 0.627 164 A CB -0.598 18.383 19.000 -0.030 0.000 0.818 164 A HN 0.680 nan 8.150 nan 0.000 0.445 165 Q N -0.932 118.846 119.800 -0.037 0.000 2.079 165 Q HA -0.107 4.234 4.340 0.001 0.000 0.200 165 Q C 2.313 178.331 176.000 0.029 0.000 0.974 165 Q CA 1.279 57.050 55.803 -0.053 0.000 0.840 165 Q CB -0.158 28.516 28.738 -0.107 0.000 0.898 165 Q HN 0.604 nan 8.270 nan 0.000 0.430 166 R N 0.124 120.643 120.500 0.032 0.000 2.152 166 R HA -0.061 4.279 4.340 0.001 0.000 0.232 166 R C 2.058 178.396 176.300 0.064 0.000 1.117 166 R CA 0.978 57.113 56.100 0.058 0.000 0.981 166 R CB -0.206 30.114 30.300 0.033 0.000 0.870 166 R HN 0.175 nan 8.270 nan 0.000 0.451 167 A N 0.767 123.616 122.820 0.049 0.000 2.119 167 A HA -0.048 4.273 4.320 0.001 0.000 0.217 167 A C 0.693 178.317 177.584 0.066 0.000 1.153 167 A CA 0.613 52.677 52.037 0.045 0.000 0.692 167 A CB 0.117 19.134 19.000 0.029 0.000 0.799 167 A HN 0.108 nan 8.150 nan 0.000 0.458 168 Q N 1.018 120.883 119.800 0.109 0.000 2.288 168 Q HA 0.305 4.646 4.340 0.001 0.000 0.258 168 Q C -2.473 173.612 176.000 0.141 0.000 0.957 168 Q CA -2.091 53.806 55.803 0.156 0.000 0.919 168 Q CB 0.778 29.664 28.738 0.247 0.000 1.185 168 Q HN 0.337 nan 8.270 nan 0.000 0.408 169 P HA 0.236 nan 4.420 nan 0.000 0.275 169 P C -0.343 176.848 177.300 -0.182 0.000 1.228 169 P CA -0.216 62.865 63.100 -0.031 0.000 0.786 169 P CB 0.846 32.537 31.700 -0.016 0.000 0.927 170 I N 2.442 122.846 120.570 -0.277 0.000 2.301 170 I HA 0.181 4.351 4.170 0.001 0.000 0.292 170 I C 0.935 176.932 176.117 -0.200 0.000 1.046 170 I CA -0.062 60.967 61.300 -0.452 0.000 1.282 170 I CB 0.240 37.999 38.000 -0.402 0.000 1.409 170 I HN 0.228 nan 8.210 nan 0.000 0.484 171 E N 4.780 124.856 120.200 -0.206 0.000 2.222 171 E HA 0.661 5.012 4.350 0.001 0.000 0.267 171 E C -0.685 175.869 176.600 -0.078 0.000 0.963 171 E CA -0.702 55.644 56.400 -0.091 0.000 0.837 171 E CB 2.152 31.813 29.700 -0.065 0.000 1.183 171 E HN 0.647 nan 8.360 nan 0.000 0.403 172 S N 0.707 116.412 115.700 0.009 0.000 2.638 172 S HA 0.642 5.113 4.470 0.001 0.000 0.274 172 S C -1.441 173.186 174.600 0.045 0.000 1.157 172 S CA -0.992 57.241 58.200 0.056 0.000 0.826 172 S CB 1.979 65.308 63.200 0.214 0.000 1.139 172 S HN 0.572 nan 8.310 nan 0.000 0.474 173 D N -0.483 119.951 120.400 0.057 0.000 2.744 173 D HA 0.667 5.307 4.640 0.001 0.000 0.304 173 D C 1.121 177.447 176.300 0.043 0.000 1.179 173 D CA -0.291 53.732 54.000 0.038 0.000 1.024 173 D CB 0.719 41.534 40.800 0.026 0.000 1.453 173 D HN 0.727 nan 8.370 nan 0.000 0.529 174 A N -0.296 122.536 122.820 0.020 0.000 1.917 174 A HA -0.139 4.181 4.320 0.001 0.000 0.219 174 A C 1.939 179.523 177.584 0.000 0.000 1.182 174 A CA 2.643 54.681 52.037 0.002 0.000 0.633 174 A CB -1.374 17.617 19.000 -0.014 0.000 0.819 174 A HN 0.629 nan 8.150 nan 0.000 0.448 175 T N 0.176 114.742 114.554 0.019 0.000 2.737 175 T HA -0.129 4.221 4.350 0.001 0.000 0.265 175 T C 2.410 177.191 174.700 0.135 0.000 1.038 175 T CA 2.009 64.121 62.100 0.019 0.000 1.144 175 T CB -0.449 68.463 68.868 0.073 0.000 0.866 175 T HN 0.812 nan 8.240 nan 0.000 0.434 176 S N 1.813 117.632 115.700 0.197 0.000 2.382 176 S HA -0.155 4.316 4.470 0.001 0.000 0.228 176 S C 1.643 176.410 174.600 0.278 0.000 1.027 176 S CA 1.194 59.563 58.200 0.282 0.000 0.991 176 S CB -0.464 62.833 63.200 0.161 0.000 0.823 176 S HN 0.323 nan 8.310 nan 0.000 0.469 177 D N 1.408 121.916 120.400 0.179 0.000 2.183 177 D HA 0.062 4.702 4.640 0.001 0.000 0.203 177 D C 2.261 178.614 176.300 0.089 0.000 0.969 177 D CA 0.667 54.754 54.000 0.144 0.000 0.842 177 D CB -0.253 40.594 40.800 0.078 0.000 0.957 177 D HN 0.465 nan 8.370 nan 0.000 0.484 178 R N -0.347 120.168 120.500 0.025 0.000 2.075 178 R HA -0.080 4.261 4.340 0.001 0.000 0.232 178 R C 2.229 178.522 176.300 -0.013 0.000 1.126 178 R CA 0.772 56.835 56.100 -0.062 0.000 0.963 178 R CB -0.290 29.901 30.300 -0.182 0.000 0.858 178 R HN 0.134 nan 8.270 nan 0.000 0.435 179 F N 0.378 120.402 119.950 0.123 0.000 2.126 179 F HA -0.218 4.309 4.527 0.001 0.000 0.299 179 F C 2.774 178.714 175.800 0.234 0.000 1.096 179 F CA 1.430 59.562 58.000 0.220 0.000 1.255 179 F CB -0.788 38.402 39.000 0.317 0.000 0.997 179 F HN -0.022 nan 8.300 nan 0.000 0.479 180 S N -0.524 115.401 115.700 0.374 0.000 2.368 180 S HA -0.179 4.291 4.470 0.001 0.000 0.225 180 S C 2.183 176.882 174.600 0.165 0.000 1.030 180 S CA 1.114 59.478 58.200 0.273 0.000 0.999 180 S CB -0.170 63.176 63.200 0.243 0.000 0.844 180 S HN 0.136 nan 8.310 nan 0.000 0.459 181 M N 0.695 120.356 119.600 0.101 0.000 2.213 181 M HA -0.017 4.463 4.480 0.001 0.000 0.263 181 M C 2.116 178.439 176.300 0.038 0.000 1.062 181 M CA 0.910 56.229 55.300 0.031 0.000 1.105 181 M CB -1.440 31.147 32.600 -0.022 0.000 1.385 181 M HN 0.403 nan 8.290 nan 0.000 0.417 182 L N 0.580 121.850 121.223 0.077 0.000 2.017 182 L HA -0.041 4.300 4.340 0.001 0.000 0.208 182 L C 2.328 179.258 176.870 0.101 0.000 1.073 182 L CA 2.289 57.166 54.840 0.062 0.000 0.745 182 L CB -1.364 40.735 42.059 0.066 0.000 0.894 182 L HN 0.293 nan 8.230 nan 0.000 0.432 183 G N -1.667 107.250 108.800 0.196 0.000 2.440 183 G HA2 -0.338 3.623 3.960 0.001 0.000 0.218 183 G HA3 -0.338 3.623 3.960 0.001 0.000 0.218 183 G C 1.703 176.682 174.900 0.132 0.000 1.154 183 G CA 1.033 46.257 45.100 0.207 0.000 0.767 183 G HN 0.509 nan 8.290 nan 0.000 0.552 184 S N 0.044 115.809 115.700 0.109 0.000 2.359 184 S HA -0.147 4.323 4.470 0.001 0.000 0.223 184 S C 2.510 177.188 174.600 0.132 0.000 1.039 184 S CA 1.859 60.117 58.200 0.097 0.000 1.042 184 S CB -0.315 62.917 63.200 0.054 0.000 0.915 184 S HN 0.378 nan 8.310 nan 0.000 0.439 185 M N 0.394 120.033 119.600 0.064 0.000 2.229 185 M HA -0.055 4.425 4.480 0.001 0.000 0.264 185 M C 2.111 178.464 176.300 0.090 0.000 1.063 185 M CA 1.050 56.363 55.300 0.023 0.000 1.114 185 M CB -0.366 32.182 32.600 -0.087 0.000 1.387 185 M HN 0.243 nan 8.290 nan 0.000 0.420 186 V N 0.749 120.725 119.914 0.103 0.000 2.358 186 V HA -0.250 3.871 4.120 0.001 0.000 0.246 186 V C 2.262 178.515 176.094 0.266 0.000 1.047 186 V CA 1.543 63.939 62.300 0.159 0.000 1.035 186 V CB -0.575 31.370 31.823 0.203 0.000 0.658 186 V HN 0.446 nan 8.190 nan 0.000 0.452 187 L N -1.739 119.621 121.223 0.228 0.000 2.012 187 L HA -0.235 4.106 4.340 0.001 0.000 0.210 187 L C 2.312 179.463 176.870 0.468 0.000 1.073 187 L CA 2.261 57.253 54.840 0.253 0.000 0.748 187 L CB -0.522 41.623 42.059 0.145 0.000 0.891 187 L HN 0.445 nan 8.230 nan 0.000 0.431 188 W N 1.046 122.459 121.300 0.189 0.000 2.333 188 W HA -0.266 4.394 4.660 0.001 0.000 0.316 188 W C 2.478 179.069 176.519 0.119 0.000 1.215 188 W CA 1.930 59.352 57.345 0.128 0.000 1.278 188 W CB -0.063 29.399 29.460 0.004 0.000 1.154 188 W HN 0.171 nan 8.180 nan 0.000 0.486 189 L N -2.559 118.918 121.223 0.422 0.000 2.156 189 L HA 0.032 4.372 4.340 0.001 0.000 0.208 189 L C 1.664 178.559 176.870 0.043 0.000 1.095 189 L CA 1.790 56.738 54.840 0.181 0.000 0.770 189 L CB -1.417 40.556 42.059 -0.142 0.000 0.914 189 L HN -0.120 nan 8.230 nan 0.000 0.439 190 F N -1.711 118.388 119.950 0.249 0.000 2.776 190 F HA 0.086 4.614 4.527 0.001 0.000 0.300 190 F C 2.094 178.027 175.800 0.221 0.000 1.116 190 F CA -0.254 57.864 58.000 0.196 0.000 1.375 190 F CB -0.604 38.477 39.000 0.137 0.000 1.109 190 F HN 0.203 nan 8.300 nan 0.000 0.585 191 W N 2.719 124.146 121.300 0.212 0.000 2.321 191 W HA -0.174 4.486 4.660 0.001 0.000 0.306 191 W C -0.899 175.711 176.519 0.152 0.000 1.217 191 W CA 1.796 59.218 57.345 0.128 0.000 1.257 191 W CB -1.683 27.740 29.460 -0.062 0.000 1.145 191 W HN 0.047 nan 8.180 nan 0.000 0.509 192 P HA -0.147 nan 4.420 nan 0.000 0.218 192 P C 1.931 179.331 177.300 0.168 0.000 1.148 192 P CA 2.452 65.692 63.100 0.233 0.000 0.822 192 P CB -0.179 31.619 31.700 0.163 0.000 0.784 193 S N -1.569 114.254 115.700 0.205 0.000 2.387 193 S HA -0.107 4.363 4.470 0.001 0.000 0.226 193 S C 1.586 176.203 174.600 0.028 0.000 1.026 193 S CA 0.689 58.938 58.200 0.081 0.000 0.972 193 S CB -1.135 62.236 63.200 0.285 0.000 0.814 193 S HN 0.107 nan 8.310 nan 0.000 0.477 194 F N 2.469 122.419 119.950 -0.000 0.000 2.126 194 F HA -0.181 4.347 4.527 0.001 0.000 0.299 194 F C 2.305 178.120 175.800 0.025 0.000 1.096 194 F CA 1.236 59.231 58.000 -0.009 0.000 1.255 194 F CB -0.431 38.417 39.000 -0.254 0.000 0.997 194 F HN 0.198 nan 8.300 nan 0.000 0.479 195 A N -1.835 121.133 122.820 0.246 0.000 1.929 195 A HA -0.124 4.197 4.320 0.001 0.000 0.216 195 A C 2.146 179.732 177.584 0.002 0.000 1.176 195 A CA 1.921 54.067 52.037 0.182 0.000 0.628 195 A CB -1.160 18.011 19.000 0.284 0.000 0.816 195 A HN 0.372 nan 8.150 nan 0.000 0.444 196 T N -1.103 113.391 114.554 -0.100 0.000 3.065 196 T HA 0.335 4.685 4.350 0.001 0.000 0.252 196 T C 1.826 176.333 174.700 -0.322 0.000 1.099 196 T CA 0.972 62.950 62.100 -0.202 0.000 1.063 196 T CB -0.378 68.346 68.868 -0.238 0.000 0.948 196 T HN 0.477 nan 8.240 nan 0.000 0.506 197 A N 1.833 124.439 122.820 -0.357 0.000 1.917 197 A HA -0.033 4.287 4.320 0.001 0.000 0.219 197 A C 1.902 179.472 177.584 -0.024 0.000 1.182 197 A CA 1.827 53.699 52.037 -0.275 0.000 0.633 197 A CB -0.596 18.335 19.000 -0.114 0.000 0.819 197 A HN 0.782 nan 8.150 nan 0.000 0.448 198 I N -3.586 116.988 120.570 0.008 0.000 3.974 198 I HA 0.356 4.527 4.170 0.001 0.000 0.334 198 I C -0.365 175.807 176.117 0.091 0.000 1.437 198 I CA -0.497 60.848 61.300 0.075 0.000 1.113 198 I CB 0.444 38.501 38.000 0.094 0.000 1.063 198 I HN -0.114 nan 8.210 nan 0.000 0.400 199 V N 3.017 122.962 119.914 0.051 0.000 2.686 199 V HA 0.336 4.457 4.120 0.001 0.000 0.295 199 V C -1.828 174.327 176.094 0.102 0.000 1.057 199 V CA -1.260 61.076 62.300 0.059 0.000 1.012 199 V CB 0.671 32.504 31.823 0.018 0.000 1.006 199 V HN 0.155 nan 8.190 nan 0.000 0.477 200 P HA -0.025 nan 4.420 nan 0.000 0.265 200 P C 0.468 177.875 177.300 0.178 0.000 1.187 200 P CA 0.103 63.293 63.100 0.150 0.000 0.766 200 P CB 0.282 32.051 31.700 0.115 0.000 0.820 201 F N 2.883 122.893 119.950 0.100 0.000 2.161 201 F HA -0.231 4.297 4.527 0.001 0.000 0.300 201 F C 1.751 177.605 175.800 0.089 0.000 1.089 201 F CA 1.787 59.855 58.000 0.113 0.000 1.282 201 F CB -0.241 38.825 39.000 0.111 0.000 1.010 201 F HN 0.337 nan 8.300 nan 0.000 0.485 202 E N -0.150 120.109 120.200 0.098 0.000 2.267 202 E HA -0.221 4.129 4.350 0.001 0.000 0.197 202 E C 1.757 178.317 176.600 -0.066 0.000 0.998 202 E CA 1.351 57.754 56.400 0.004 0.000 0.830 202 E CB -0.259 29.486 29.700 0.076 0.000 0.751 202 E HN 0.595 nan 8.360 nan 0.000 0.491 203 Q N -0.716 119.055 119.800 -0.047 0.000 2.282 203 Q HA 0.171 4.512 4.340 0.001 0.000 0.206 203 Q C 1.577 177.533 176.000 -0.073 0.000 0.878 203 Q CA -0.220 55.558 55.803 -0.042 0.000 0.944 203 Q CB 0.228 28.965 28.738 -0.002 0.000 1.100 203 Q HN 0.257 nan 8.270 nan 0.000 0.509 204 M N 1.626 121.137 119.600 -0.148 0.000 2.065 204 M HA -0.084 4.396 4.480 0.001 0.000 0.259 204 M C -1.170 175.076 176.300 -0.091 0.000 1.069 204 M CA 1.948 57.168 55.300 -0.134 0.000 1.110 204 M CB -1.056 31.419 32.600 -0.209 0.000 1.328 204 M HN -0.010 nan 8.290 nan 0.000 0.405 205 P HA -0.192 nan 4.420 nan 0.000 0.215 205 P C 1.530 178.813 177.300 -0.027 0.000 1.157 205 P CA 1.643 64.710 63.100 -0.055 0.000 0.868 205 P CB -0.376 31.287 31.700 -0.061 0.000 0.788 206 Q N -0.743 119.039 119.800 -0.030 0.000 2.061 206 Q HA -0.159 4.182 4.340 0.001 0.000 0.204 206 Q C 1.750 177.746 176.000 -0.006 0.000 0.984 206 Q CA 2.448 58.243 55.803 -0.014 0.000 0.846 206 Q CB -0.733 27.998 28.738 -0.012 0.000 0.902 206 Q HN 0.135 nan 8.270 nan 0.000 0.421 207 T N 1.533 116.081 114.554 -0.010 0.000 2.737 207 T HA -0.143 4.208 4.350 0.001 0.000 0.265 207 T C 1.826 176.534 174.700 0.013 0.000 1.038 207 T CA 1.614 63.714 62.100 0.001 0.000 1.144 207 T CB -0.359 68.504 68.868 -0.008 0.000 0.866 207 T HN 0.586 nan 8.240 nan 0.000 0.434 208 I N 0.167 120.744 120.570 0.013 0.000 2.353 208 I HA -0.000 4.170 4.170 0.001 0.000 0.248 208 I C 2.221 178.356 176.117 0.030 0.000 1.119 208 I CA 0.959 62.280 61.300 0.036 0.000 1.417 208 I CB -0.981 37.052 38.000 0.055 0.000 1.078 208 I HN -0.023 nan 8.210 nan 0.000 0.421 209 V N 1.930 121.856 119.914 0.021 0.000 2.307 209 V HA -0.218 3.902 4.120 0.001 0.000 0.245 209 V C 2.483 178.585 176.094 0.013 0.000 1.045 209 V CA 2.168 64.480 62.300 0.020 0.000 1.024 209 V CB -1.191 30.642 31.823 0.016 0.000 0.651 209 V HN 0.462 nan 8.190 nan 0.000 0.449 210 N N 0.212 118.917 118.700 0.008 0.000 2.104 210 N HA -0.144 4.597 4.740 0.001 0.000 0.190 210 N C 1.913 177.408 175.510 -0.025 0.000 1.024 210 N CA 2.000 55.052 53.050 0.003 0.000 0.853 210 N CB -0.641 37.848 38.487 0.005 0.000 1.008 210 N HN 0.472 nan 8.380 nan 0.000 0.424 211 T N 1.758 116.295 114.554 -0.027 0.000 2.708 211 T HA -0.008 4.343 4.350 0.001 0.000 0.266 211 T C 2.158 176.747 174.700 -0.184 0.000 1.037 211 T CA 0.649 62.702 62.100 -0.080 0.000 1.146 211 T CB -0.282 68.600 68.868 0.023 0.000 0.865 211 T HN 0.132 nan 8.240 nan 0.000 0.435 212 L N 0.371 121.524 121.223 -0.116 0.000 2.017 212 L HA -0.065 4.275 4.340 0.001 0.000 0.208 212 L C 2.513 179.328 176.870 -0.092 0.000 1.073 212 L CA 1.218 55.971 54.840 -0.144 0.000 0.745 212 L CB -0.588 41.476 42.059 0.008 0.000 0.894 212 L HN 0.251 nan 8.230 nan 0.000 0.432 213 L N -0.688 120.537 121.223 0.002 0.000 2.093 213 L HA -0.182 4.158 4.340 0.001 0.000 0.208 213 L C 2.854 179.779 176.870 0.091 0.000 1.085 213 L CA 1.042 55.956 54.840 0.124 0.000 0.755 213 L CB -0.718 41.427 42.059 0.144 0.000 0.904 213 L HN 0.244 nan 8.230 nan 0.000 0.435 214 A N 0.202 122.981 122.820 -0.068 0.000 1.902 214 A HA -0.163 4.157 4.320 0.001 0.000 0.217 214 A C 2.251 179.664 177.584 -0.286 0.000 1.181 214 A CA 1.382 53.313 52.037 -0.178 0.000 0.623 214 A CB -0.674 18.205 19.000 -0.201 0.000 0.818 214 A HN 0.338 nan 8.150 nan 0.000 0.443 215 L N -0.797 120.171 121.223 -0.424 0.000 2.046 215 L HA -0.260 4.080 4.340 0.001 0.000 0.208 215 L C 2.745 179.519 176.870 -0.160 0.000 1.077 215 L CA 1.348 55.814 54.840 -0.622 0.000 0.747 215 L CB -0.650 40.525 42.059 -1.473 0.000 0.896 215 L HN 0.501 nan 8.230 nan 0.000 0.432 216 C N -0.205 119.121 119.300 0.044 0.000 2.432 216 C HA -0.119 4.342 4.460 0.001 0.000 0.277 216 C C 2.923 177.995 174.990 0.136 0.000 1.249 216 C CA 0.849 60.044 59.018 0.295 0.000 1.725 216 C CB -1.628 26.340 27.740 0.380 0.000 2.028 216 C HN 0.714 nan 8.230 nan 0.000 0.477 217 G N 0.439 109.146 108.800 -0.155 0.000 2.446 217 G HA2 -0.106 3.854 3.960 0.001 0.000 0.217 217 G HA3 -0.106 3.854 3.960 0.001 0.000 0.217 217 G C 1.890 176.611 174.900 -0.298 0.000 1.168 217 G CA 1.171 45.878 45.100 -0.656 0.000 0.771 217 G HN 0.632 nan 8.290 nan 0.000 0.551 218 A N 0.066 122.760 122.820 -0.210 0.000 1.933 218 A HA -0.001 4.319 4.320 0.001 0.000 0.218 218 A C 2.531 180.104 177.584 -0.019 0.000 1.175 218 A CA 2.445 54.403 52.037 -0.132 0.000 0.628 218 A CB -0.855 18.034 19.000 -0.185 0.000 0.814 218 A HN 0.316 nan 8.150 nan 0.000 0.444 219 T N 0.470 115.064 114.554 0.068 0.000 2.737 219 T HA -0.064 4.286 4.350 0.001 0.000 0.265 219 T C 1.822 176.604 174.700 0.137 0.000 1.038 219 T CA 1.459 63.647 62.100 0.148 0.000 1.144 219 T CB -0.363 68.673 68.868 0.279 0.000 0.866 219 T HN 0.376 nan 8.240 nan 0.000 0.434 220 L N 0.789 122.108 121.223 0.159 0.000 2.027 220 L HA -0.051 4.290 4.340 0.001 0.000 0.206 220 L C 3.095 180.146 176.870 0.301 0.000 1.074 220 L CA 1.240 56.246 54.840 0.277 0.000 0.745 220 L CB -0.725 41.496 42.059 0.271 0.000 0.898 220 L HN 0.231 nan 8.230 nan 0.000 0.433 221 A N -0.431 122.462 122.820 0.123 0.000 1.902 221 A HA -0.209 4.112 4.320 0.001 0.000 0.217 221 A C 2.373 180.008 177.584 0.085 0.000 1.181 221 A CA 2.390 54.476 52.037 0.082 0.000 0.623 221 A CB -0.944 18.046 19.000 -0.017 0.000 0.818 221 A HN 0.388 nan 8.150 nan 0.000 0.443 222 T N -1.608 112.986 114.554 0.066 0.000 2.674 222 T HA -0.178 4.172 4.350 0.001 0.000 0.265 222 T C 1.810 176.513 174.700 0.005 0.000 1.039 222 T CA 1.775 63.898 62.100 0.038 0.000 1.150 222 T CB -0.454 68.430 68.868 0.026 0.000 0.864 222 T HN 0.579 nan 8.240 nan 0.000 0.427 223 Y N 0.979 121.228 120.300 -0.086 0.000 2.114 223 Y HA -0.139 4.411 4.550 0.001 0.000 0.284 223 Y C 1.882 177.619 175.900 -0.272 0.000 1.143 223 Y CA 1.267 59.224 58.100 -0.239 0.000 1.135 223 Y CB -0.623 37.583 38.460 -0.424 0.000 0.980 223 Y HN 0.192 nan 8.280 nan 0.000 0.499 224 F N -0.368 119.511 119.950 -0.118 0.000 2.234 224 F HA -0.142 4.385 4.527 0.001 0.000 0.299 224 F C 2.165 177.782 175.800 -0.304 0.000 1.087 224 F CA 1.160 59.035 58.000 -0.209 0.000 1.340 224 F CB -0.585 38.400 39.000 -0.026 0.000 1.031 224 F HN 0.045 nan 8.300 nan 0.000 0.500 225 L N -1.498 119.653 121.223 -0.120 0.000 2.109 225 L HA -0.161 4.180 4.340 0.001 0.000 0.207 225 L C 2.645 179.303 176.870 -0.354 0.000 1.086 225 L CA 1.098 55.739 54.840 -0.331 0.000 0.760 225 L CB -0.742 41.207 42.059 -0.182 0.000 0.910 225 L HN 0.103 nan 8.230 nan 0.000 0.437 226 S N -0.065 115.529 115.700 -0.177 0.000 2.359 226 S HA -0.222 4.249 4.470 0.001 0.000 0.224 226 S C 2.164 176.709 174.600 -0.092 0.000 1.035 226 S CA 1.415 59.590 58.200 -0.042 0.000 1.018 226 S CB -0.112 63.050 63.200 -0.063 0.000 0.876 226 S HN 0.443 nan 8.310 nan 0.000 0.448 227 A N 1.195 123.798 122.820 -0.362 0.000 1.908 227 A HA -0.038 4.282 4.320 0.001 0.000 0.218 227 A C 2.161 179.631 177.584 -0.189 0.000 1.181 227 A CA 1.716 53.562 52.037 -0.318 0.000 0.627 227 A CB -0.902 17.774 19.000 -0.539 0.000 0.818 227 A HN 0.570 nan 8.150 nan 0.000 0.445 228 L N -1.610 119.450 121.223 -0.272 0.000 2.046 228 L HA -0.075 4.265 4.340 0.001 0.000 0.208 228 L C 1.969 178.713 176.870 -0.210 0.000 1.077 228 L CA 1.975 56.644 54.840 -0.286 0.000 0.747 228 L CB -0.586 41.190 42.059 -0.472 0.000 0.896 228 L HN 0.331 nan 8.230 nan 0.000 0.432 229 F N -1.145 118.709 119.950 -0.160 0.000 2.558 229 F HA 0.031 4.558 4.527 0.001 0.000 0.298 229 F C 1.598 177.128 175.800 -0.450 0.000 1.119 229 F CA 0.468 58.290 58.000 -0.297 0.000 1.451 229 F CB -0.502 38.239 39.000 -0.433 0.000 1.091 229 F HN 0.231 nan 8.300 nan 0.000 0.563 230 H N 0.080 119.191 119.070 0.069 0.000 2.481 230 H HA 0.237 4.793 4.556 0.001 0.000 0.273 230 H C 0.232 175.554 175.328 -0.009 0.000 1.145 230 H CA -0.308 55.745 56.048 0.009 0.000 0.964 230 H CB -0.073 29.669 29.762 -0.033 0.000 1.722 230 H HN 0.123 nan 8.280 nan 0.000 0.573 231 K N 0.279 120.719 120.400 0.068 0.000 3.071 231 K HA -0.247 4.074 4.320 0.001 0.000 0.265 231 K C 1.043 177.657 176.600 0.025 0.000 1.060 231 K CA 0.570 56.883 56.287 0.042 0.000 0.767 231 K CB -1.434 31.094 32.500 0.047 0.000 1.241 231 K HN 0.793 nan 8.250 nan 0.000 0.486 232 G N -0.539 108.263 108.800 0.003 0.000 2.284 232 G HA2 -0.294 3.667 3.960 0.001 0.000 0.216 232 G HA3 -0.294 3.667 3.960 0.001 0.000 0.216 232 G C -0.008 174.878 174.900 -0.024 0.000 1.009 232 G CA 0.306 45.400 45.100 -0.010 0.000 0.625 232 G HN 0.247 nan 8.290 nan 0.000 0.501 233 K N 1.134 121.529 120.400 -0.007 0.000 2.098 233 K HA 0.733 5.053 4.320 0.001 0.000 0.261 233 K C 0.454 177.021 176.600 -0.056 0.000 0.987 233 K CA 0.089 56.361 56.287 -0.025 0.000 0.916 233 K CB 1.781 34.269 32.500 -0.020 0.000 1.039 233 K HN 0.483 nan 8.250 nan 0.000 0.455 234 A N 0.979 123.740 122.820 -0.098 0.000 2.256 234 A HA 0.396 4.717 4.320 0.001 0.000 0.318 234 A C -0.470 177.007 177.584 -0.178 0.000 1.103 234 A CA -0.490 51.463 52.037 -0.141 0.000 0.860 234 A CB 1.288 20.197 19.000 -0.152 0.000 1.182 234 A HN 0.550 nan 8.150 nan 0.000 0.501 235 S N -0.176 115.394 115.700 -0.218 0.000 2.437 235 S HA 0.364 4.834 4.470 0.001 0.000 0.305 235 S C 0.701 175.183 174.600 -0.198 0.000 1.109 235 S CA -0.575 57.455 58.200 -0.284 0.000 1.099 235 S CB 0.490 63.451 63.200 -0.400 0.000 1.004 235 S HN 0.716 nan 8.310 nan 0.000 0.475 236 I N 6.137 126.607 120.570 -0.167 0.000 2.493 236 I HA -0.047 4.124 4.170 0.001 0.000 0.254 236 I C 1.795 177.789 176.117 -0.204 0.000 1.160 236 I CA 1.366 62.581 61.300 -0.140 0.000 1.445 236 I CB -0.110 37.834 38.000 -0.093 0.000 1.086 236 I HN 0.645 nan 8.210 nan 0.000 0.433 237 V N 0.476 120.225 119.914 -0.275 0.000 2.307 237 V HA -0.257 3.864 4.120 0.001 0.000 0.245 237 V C 2.178 177.896 176.094 -0.626 0.000 1.045 237 V CA 1.987 64.025 62.300 -0.437 0.000 1.024 237 V CB -0.889 30.672 31.823 -0.436 0.000 0.651 237 V HN 0.348 nan 8.190 nan 0.000 0.449 238 D N -0.379 119.681 120.400 -0.567 0.000 2.116 238 D HA -0.236 4.405 4.640 0.001 0.000 0.193 238 D C 2.001 178.091 176.300 -0.350 0.000 0.998 238 D CA 1.627 55.294 54.000 -0.555 0.000 0.836 238 D CB -0.309 40.350 40.800 -0.235 0.000 0.951 238 D HN 0.313 nan 8.370 nan 0.000 0.449 239 M N 0.791 120.257 119.600 -0.223 0.000 2.086 239 M HA -0.064 4.416 4.480 0.001 0.000 0.261 239 M C 1.957 178.185 176.300 -0.120 0.000 1.067 239 M CA 1.502 56.729 55.300 -0.122 0.000 1.116 239 M CB -0.511 32.044 32.600 -0.075 0.000 1.348 239 M HN 0.010 nan 8.290 nan 0.000 0.407 240 A N -0.156 122.570 122.820 -0.157 0.000 1.933 240 A HA -0.161 4.160 4.320 0.001 0.000 0.218 240 A C 2.010 179.541 177.584 -0.089 0.000 1.175 240 A CA 2.047 54.020 52.037 -0.106 0.000 0.628 240 A CB -0.767 18.165 19.000 -0.114 0.000 0.814 240 A HN 0.687 nan 8.150 nan 0.000 0.444 241 N N -0.585 118.009 118.700 -0.177 0.000 2.420 241 N HA 0.068 4.809 4.740 0.001 0.000 0.185 241 N C 1.981 177.474 175.510 -0.028 0.000 1.033 241 N CA 1.045 54.045 53.050 -0.083 0.000 0.879 241 N CB -0.291 38.162 38.487 -0.056 0.000 1.071 241 N HN 0.386 nan 8.380 nan 0.000 0.437 242 A N 1.463 124.246 122.820 -0.061 0.000 2.015 242 A HA 0.109 4.429 4.320 0.001 0.000 0.219 242 A C 2.288 179.850 177.584 -0.036 0.000 1.163 242 A CA 1.491 53.539 52.037 0.019 0.000 0.646 242 A CB -0.514 18.516 19.000 0.050 0.000 0.806 242 A HN 0.317 nan 8.150 nan 0.000 0.448 243 A N -0.053 122.754 122.820 -0.022 0.000 1.978 243 A HA -0.054 4.267 4.320 0.001 0.000 0.220 243 A C 1.974 179.512 177.584 -0.076 0.000 1.170 243 A CA 1.444 53.500 52.037 0.030 0.000 0.636 243 A CB -0.533 18.554 19.000 0.146 0.000 0.810 243 A HN 0.498 nan 8.150 nan 0.000 0.448 244 L N -0.984 120.153 121.223 -0.143 0.000 2.478 244 L HA -0.028 4.312 4.340 0.001 0.000 0.223 244 L C 2.757 179.269 176.870 -0.597 0.000 1.140 244 L CA 0.475 55.069 54.840 -0.408 0.000 0.842 244 L CB -0.394 41.525 42.059 -0.233 0.000 0.953 244 L HN 0.405 nan 8.230 nan 0.000 0.452 245 A N 0.605 123.210 122.820 -0.359 0.000 2.070 245 A HA -0.085 4.236 4.320 0.001 0.000 0.220 245 A C 2.384 179.742 177.584 -0.377 0.000 1.159 245 A CA 1.460 53.301 52.037 -0.326 0.000 0.656 245 A CB -0.860 18.037 19.000 -0.172 0.000 0.800 245 A HN 0.432 nan 8.150 nan 0.000 0.453 246 G N -0.319 108.223 108.800 -0.431 0.000 2.402 246 G HA2 0.032 3.993 3.960 0.001 0.000 0.216 246 G HA3 0.032 3.993 3.960 0.001 0.000 0.216 246 G C 1.503 176.067 174.900 -0.561 0.000 1.162 246 G CA 1.135 45.978 45.100 -0.429 0.000 0.777 246 G HN 0.640 nan 8.290 nan 0.000 0.539 247 G N 0.405 108.623 108.800 -0.970 0.000 2.418 247 G HA2 -0.126 3.834 3.960 0.001 0.000 0.217 247 G HA3 -0.126 3.834 3.960 0.001 0.000 0.217 247 G C 1.778 176.290 174.900 -0.648 0.000 1.158 247 G CA 1.217 45.496 45.100 -1.369 0.000 0.771 247 G HN 0.315 nan 8.290 nan 0.000 0.545 248 V N 1.517 121.061 119.914 -0.618 0.000 2.261 248 V HA -0.116 4.005 4.120 0.001 0.000 0.246 248 V C 3.315 179.320 176.094 -0.148 0.000 1.047 248 V CA 2.092 64.180 62.300 -0.353 0.000 1.015 248 V CB -0.874 30.712 31.823 -0.394 0.000 0.642 248 V HN 0.459 nan 8.190 nan 0.000 0.446 249 A N -0.583 122.135 122.820 -0.171 0.000 1.969 249 A HA -0.136 4.185 4.320 0.001 0.000 0.218 249 A C 2.071 179.625 177.584 -0.049 0.000 1.169 249 A CA 1.629 53.617 52.037 -0.081 0.000 0.635 249 A CB -0.498 18.441 19.000 -0.102 0.000 0.810 249 A HN 0.456 nan 8.150 nan 0.000 0.445 250 I N 0.135 120.655 120.570 -0.082 0.000 3.111 250 I HA 0.045 4.215 4.170 0.001 0.000 0.272 250 I C 2.148 178.284 176.117 0.031 0.000 1.268 250 I CA 0.598 61.873 61.300 -0.040 0.000 1.467 250 I CB -0.547 37.404 38.000 -0.082 0.000 1.087 250 I HN 0.216 nan 8.210 nan 0.000 0.467 251 G N -0.289 108.565 108.800 0.090 0.000 2.513 251 G HA2 -0.310 3.651 3.960 0.001 0.000 0.219 251 G HA3 -0.310 3.651 3.960 0.001 0.000 0.219 251 G C 1.726 176.686 174.900 0.101 0.000 1.160 251 G CA 1.132 46.334 45.100 0.171 0.000 0.767 251 G HN 0.448 nan 8.290 nan 0.000 0.571 252 S N -0.444 115.295 115.700 0.065 0.000 2.382 252 S HA -0.072 4.398 4.470 0.001 0.000 0.228 252 S C 2.117 176.708 174.600 -0.014 0.000 1.027 252 S CA 1.510 59.713 58.200 0.005 0.000 0.991 252 S CB -0.063 63.112 63.200 -0.042 0.000 0.823 252 S HN 0.718 nan 8.310 nan 0.000 0.469 253 V N -0.557 119.356 119.914 -0.001 0.000 3.253 253 V HA 0.199 4.319 4.120 0.001 0.000 0.320 253 V C 1.676 177.773 176.094 0.004 0.000 1.442 253 V CA -0.019 62.277 62.300 -0.007 0.000 1.097 253 V CB -1.145 30.671 31.823 -0.012 0.000 1.008 253 V HN 0.651 nan 8.190 nan 0.000 0.463 254 C N 1.409 120.719 119.300 0.017 0.000 2.403 254 C HA -0.122 4.338 4.460 0.001 0.000 0.279 254 C C 2.382 177.380 174.990 0.013 0.000 1.269 254 C CA 1.425 60.455 59.018 0.020 0.000 1.774 254 C CB -1.776 25.991 27.740 0.045 0.000 1.993 254 C HN 0.826 nan 8.230 nan 0.000 0.496 255 N N 2.312 121.019 118.700 0.012 0.000 2.336 255 N HA 0.037 4.778 4.740 0.001 0.000 0.189 255 N C 1.218 176.731 175.510 0.005 0.000 1.113 255 N CA 1.213 54.267 53.050 0.008 0.000 0.858 255 N CB -0.518 37.976 38.487 0.011 0.000 0.970 255 N HN 0.838 nan 8.380 nan 0.000 0.471 256 I N -3.929 116.644 120.570 0.004 0.000 4.456 256 I HA 0.344 4.515 4.170 0.001 0.000 0.329 256 I C 0.396 176.515 176.117 0.003 0.000 1.313 256 I CA -0.451 60.851 61.300 0.002 0.000 1.205 256 I CB 0.409 38.409 38.000 -0.001 0.000 1.179 256 I HN -0.196 nan 8.210 nan 0.000 0.419 257 V N 2.494 122.410 119.914 0.003 0.000 3.083 257 V HA 0.676 4.797 4.120 0.001 0.000 0.306 257 V C 1.040 177.139 176.094 0.008 0.000 1.077 257 V CA 0.053 62.357 62.300 0.006 0.000 1.073 257 V CB 1.367 33.194 31.823 0.006 0.000 1.081 257 V HN 0.346 nan 8.190 nan 0.000 0.474 258 G N 3.422 112.228 108.800 0.011 0.000 2.562 258 G HA2 0.391 4.352 3.960 0.001 0.000 0.275 258 G HA3 0.391 4.352 3.960 0.001 0.000 0.275 258 G C -1.715 173.197 174.900 0.020 0.000 1.196 258 G CA -0.387 44.721 45.100 0.012 0.000 0.908 258 G HN 0.631 nan 8.290 nan 0.000 0.524 259 P HA -0.090 nan 4.420 nan 0.000 0.217 259 P C 1.945 179.276 177.300 0.052 0.000 1.150 259 P CA 0.674 63.790 63.100 0.026 0.000 0.832 259 P CB 0.111 31.813 31.700 0.004 0.000 0.787 260 V N 0.693 120.631 119.914 0.039 0.000 2.358 260 V HA -0.122 3.998 4.120 0.001 0.000 0.246 260 V C 2.911 179.072 176.094 0.112 0.000 1.047 260 V CA 2.361 64.704 62.300 0.070 0.000 1.035 260 V CB -1.969 29.873 31.823 0.032 0.000 0.658 260 V HN 0.156 nan 8.190 nan 0.000 0.452 261 G N -0.137 108.702 108.800 0.065 0.000 2.440 261 G HA2 -0.250 3.710 3.960 0.001 0.000 0.218 261 G HA3 -0.250 3.710 3.960 0.001 0.000 0.218 261 G C 1.779 176.708 174.900 0.049 0.000 1.154 261 G CA 1.182 46.312 45.100 0.050 0.000 0.767 261 G HN 0.607 nan 8.290 nan 0.000 0.552 262 A N 0.382 123.235 122.820 0.055 0.000 1.883 262 A HA 0.022 4.343 4.320 0.001 0.000 0.217 262 A C 2.196 179.814 177.584 0.056 0.000 1.186 262 A CA 1.675 53.734 52.037 0.038 0.000 0.624 262 A CB -0.612 18.409 19.000 0.035 0.000 0.822 262 A HN 0.402 nan 8.150 nan 0.000 0.444 263 F N 0.675 120.603 119.950 -0.037 0.000 2.126 263 F HA -0.162 4.366 4.527 0.001 0.000 0.299 263 F C 2.260 178.042 175.800 -0.030 0.000 1.096 263 F CA 1.962 59.942 58.000 -0.033 0.000 1.255 263 F CB -0.262 38.727 39.000 -0.019 0.000 0.997 263 F HN 0.032 nan 8.300 nan 0.000 0.479 264 V N 0.604 120.540 119.914 0.037 0.000 2.358 264 V HA -0.299 3.821 4.120 0.001 0.000 0.246 264 V C 2.431 178.463 176.094 -0.103 0.000 1.047 264 V CA 2.011 64.281 62.300 -0.050 0.000 1.035 264 V CB -0.612 31.232 31.823 0.034 0.000 0.658 264 V HN 0.351 nan 8.190 nan 0.000 0.452 265 I N 0.786 121.313 120.570 -0.071 0.000 2.208 265 I HA -0.208 3.963 4.170 0.001 0.000 0.245 265 I C 2.581 178.616 176.117 -0.136 0.000 1.097 265 I CA 1.754 63.006 61.300 -0.080 0.000 1.363 265 I CB -0.899 37.069 38.000 -0.053 0.000 1.051 265 I HN 0.413 nan 8.210 nan 0.000 0.413 266 G N 1.053 109.738 108.800 -0.192 0.000 2.459 266 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 266 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 266 G C 1.683 176.424 174.900 -0.264 0.000 1.183 266 G CA 0.616 45.563 45.100 -0.256 0.000 0.776 266 G HN 0.270 nan 8.290 nan 0.000 0.552 267 L N -0.080 120.939 121.223 -0.341 0.000 2.013 267 L HA -0.120 4.221 4.340 0.001 0.000 0.212 267 L C 2.970 179.755 176.870 -0.143 0.000 1.073 267 L CA 0.903 55.583 54.840 -0.267 0.000 0.753 267 L CB -0.467 41.419 42.059 -0.287 0.000 0.890 267 L HN 0.196 nan 8.230 nan 0.000 0.432 268 L N -0.767 120.384 121.223 -0.119 0.000 2.056 268 L HA -0.121 4.220 4.340 0.001 0.000 0.207 268 L C 2.696 179.527 176.870 -0.065 0.000 1.078 268 L CA 1.291 56.089 54.840 -0.071 0.000 0.749 268 L CB -1.155 40.870 42.059 -0.056 0.000 0.901 268 L HN 0.328 nan 8.230 nan 0.000 0.433 269 G N -0.174 108.570 108.800 -0.093 0.000 2.421 269 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 269 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 269 G C 1.601 176.452 174.900 -0.080 0.000 1.171 269 G CA 0.753 45.794 45.100 -0.097 0.000 0.775 269 G HN 0.474 nan 8.290 nan 0.000 0.543 270 G N 1.117 109.864 108.800 -0.089 0.000 2.440 270 G HA2 0.021 3.981 3.960 0.001 0.000 0.218 270 G HA3 0.021 3.981 3.960 0.001 0.000 0.218 270 G C 2.067 176.975 174.900 0.014 0.000 1.154 270 G CA 1.647 46.721 45.100 -0.044 0.000 0.767 270 G HN 0.667 nan 8.290 nan 0.000 0.552 271 A N 0.875 123.701 122.820 0.009 0.000 1.858 271 A HA 0.007 4.327 4.320 0.001 0.000 0.216 271 A C 2.419 180.055 177.584 0.088 0.000 1.190 271 A CA 1.438 53.511 52.037 0.060 0.000 0.617 271 A CB -0.427 18.593 19.000 0.034 0.000 0.827 271 A HN 0.372 nan 8.150 nan 0.000 0.443 272 I N -0.754 119.837 120.570 0.036 0.000 2.286 272 I HA -0.222 3.949 4.170 0.001 0.000 0.248 272 I C 2.831 178.968 176.117 0.033 0.000 1.115 272 I CA 1.494 62.808 61.300 0.024 0.000 1.392 272 I CB -0.254 37.736 38.000 -0.017 0.000 1.065 272 I HN 0.403 nan 8.210 nan 0.000 0.418 273 S N 0.365 116.088 115.700 0.038 0.000 2.356 273 S HA -0.131 4.339 4.470 0.001 0.000 0.223 273 S C 2.098 176.836 174.600 0.229 0.000 1.032 273 S CA 1.329 59.577 58.200 0.080 0.000 1.005 273 S CB -0.182 63.069 63.200 0.084 0.000 0.867 273 S HN 0.224 nan 8.310 nan 0.000 0.449 274 V N 1.485 121.537 119.914 0.231 0.000 2.343 274 V HA -0.117 4.003 4.120 0.001 0.000 0.247 274 V C 2.447 178.699 176.094 0.264 0.000 1.051 274 V CA 1.706 64.180 62.300 0.291 0.000 1.036 274 V CB -0.715 31.265 31.823 0.262 0.000 0.654 274 V HN 0.404 nan 8.190 nan 0.000 0.451 275 V N 0.987 121.046 119.914 0.241 0.000 2.392 275 V HA -0.223 3.897 4.120 0.001 0.000 0.249 275 V C 2.618 178.802 176.094 0.150 0.000 1.059 275 V CA 2.207 64.640 62.300 0.222 0.000 1.051 275 V CB -1.452 30.473 31.823 0.170 0.000 0.658 275 V HN 0.620 nan 8.190 nan 0.000 0.455 276 G N -0.675 108.166 108.800 0.067 0.000 2.459 276 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 276 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 276 G C 1.470 176.321 174.900 -0.081 0.000 1.183 276 G CA 1.045 46.118 45.100 -0.044 0.000 0.776 276 G HN 0.449 nan 8.290 nan 0.000 0.552 277 F N 0.376 120.323 119.950 -0.005 0.000 2.134 277 F HA -0.050 4.477 4.527 0.001 0.000 0.299 277 F C 2.874 178.618 175.800 -0.093 0.000 1.097 277 F CA 1.031 59.013 58.000 -0.029 0.000 1.264 277 F CB -0.381 38.606 39.000 -0.022 0.000 1.001 277 F HN -0.007 nan 8.300 nan 0.000 0.479 278 V N -1.670 118.226 119.914 -0.030 0.000 2.446 278 V HA -0.187 3.934 4.120 0.001 0.000 0.244 278 V C 1.633 177.343 176.094 -0.640 0.000 1.039 278 V CA 1.652 63.682 62.300 -0.449 0.000 1.045 278 V CB -0.466 30.809 31.823 -0.914 0.000 0.681 278 V HN 0.181 nan 8.190 nan 0.000 0.459 279 F N -1.359 118.522 119.950 -0.114 0.000 2.537 279 F HA 0.338 4.865 4.527 0.001 0.000 0.277 279 F C 1.893 177.656 175.800 -0.061 0.000 1.013 279 F CA 0.263 58.193 58.000 -0.118 0.000 1.332 279 F CB -0.268 38.622 39.000 -0.183 0.000 1.108 279 F HN -0.069 nan 8.300 nan 0.000 0.679 280 I N 0.055 120.705 120.570 0.132 0.000 2.235 280 I HA -0.217 3.954 4.170 0.001 0.000 0.241 280 I C 2.529 178.681 176.117 0.057 0.000 1.085 280 I CA 1.247 62.602 61.300 0.092 0.000 1.378 280 I CB -0.523 37.537 38.000 0.099 0.000 1.076 280 I HN 0.179 nan 8.210 nan 0.000 0.415 281 Q N 1.395 121.206 119.800 0.019 0.000 2.077 281 Q HA -0.203 4.137 4.340 0.001 0.000 0.206 281 Q C -0.589 175.418 176.000 0.012 0.000 0.989 281 Q CA 2.259 58.060 55.803 -0.003 0.000 0.853 281 Q CB -0.823 27.876 28.738 -0.065 0.000 0.907 281 Q HN 0.293 nan 8.270 nan 0.000 0.418 282 P HA -0.148 nan 4.420 nan 0.000 0.218 282 P C 1.073 178.387 177.300 0.022 0.000 1.149 282 P CA 1.476 64.586 63.100 0.018 0.000 0.817 282 P CB -0.090 31.614 31.700 0.006 0.000 0.785 283 M N -1.665 117.953 119.600 0.031 0.000 2.132 283 M HA -0.094 4.386 4.480 0.001 0.000 0.263 283 M C 2.047 178.357 176.300 0.018 0.000 1.065 283 M CA 1.582 56.901 55.300 0.030 0.000 1.122 283 M CB -0.794 31.831 32.600 0.042 0.000 1.365 283 M HN -0.083 nan 8.290 nan 0.000 0.411 284 L N -0.211 121.020 121.223 0.013 0.000 2.083 284 L HA -0.212 4.128 4.340 0.001 0.000 0.209 284 L C 2.335 179.204 176.870 -0.002 0.000 1.083 284 L CA 1.305 56.142 54.840 -0.005 0.000 0.752 284 L CB -0.558 41.483 42.059 -0.030 0.000 0.899 284 L HN 0.347 nan 8.230 nan 0.000 0.433 285 E N -0.252 119.953 120.200 0.007 0.000 2.051 285 E HA -0.201 4.149 4.350 0.001 0.000 0.192 285 E C 2.325 178.933 176.600 0.013 0.000 0.991 285 E CA 1.765 58.173 56.400 0.014 0.000 0.799 285 E CB -0.034 29.679 29.700 0.021 0.000 0.748 285 E HN 0.544 nan 8.360 nan 0.000 0.449 286 S N 0.400 116.108 115.700 0.014 0.000 2.406 286 S HA 0.011 4.481 4.470 0.001 0.000 0.224 286 S C 1.789 176.395 174.600 0.009 0.000 1.030 286 S CA 0.475 58.683 58.200 0.013 0.000 0.958 286 S CB 0.103 63.312 63.200 0.015 0.000 0.811 286 S HN 0.004 nan 8.310 nan 0.000 0.489 287 K N 1.365 121.770 120.400 0.008 0.000 2.276 287 K HA 0.403 4.723 4.320 0.001 0.000 0.198 287 K C 1.640 178.241 176.600 0.001 0.000 1.052 287 K CA 0.966 57.256 56.287 0.006 0.000 0.984 287 K CB -0.133 32.372 32.500 0.007 0.000 0.836 287 K HN 0.475 nan 8.250 nan 0.000 0.490 288 A N 0.869 123.688 122.820 -0.001 0.000 2.469 288 A HA 0.152 4.472 4.320 0.001 0.000 0.245 288 A C 0.072 177.652 177.584 -0.007 0.000 1.221 288 A CA -0.185 51.849 52.037 -0.006 0.000 0.946 288 A CB 0.061 19.054 19.000 -0.012 0.000 1.049 288 A HN 0.212 nan 8.150 nan 0.000 0.529 289 K N 0.509 120.909 120.400 -0.002 0.000 3.012 289 K HA -0.143 4.177 4.320 0.001 0.000 0.259 289 K C -0.752 175.848 176.600 -0.001 0.000 0.989 289 K CA 1.143 57.431 56.287 0.001 0.000 0.728 289 K CB -2.140 30.360 32.500 0.000 0.000 1.260 289 K HN 0.462 nan 8.250 nan 0.000 0.480 290 T N 1.545 116.095 114.554 -0.005 0.000 2.756 290 T HA 0.436 4.787 4.350 0.001 0.000 0.290 290 T C 0.166 174.866 174.700 -0.001 0.000 0.985 290 T CA -0.701 61.392 62.100 -0.013 0.000 0.955 290 T CB 0.924 69.771 68.868 -0.036 0.000 0.930 290 T HN 0.053 nan 8.240 nan 0.000 0.451 291 I N 3.221 123.802 120.570 0.017 0.000 2.392 291 I HA 0.463 4.633 4.170 0.001 0.000 0.295 291 I C 0.046 176.196 176.117 0.055 0.000 0.985 291 I CA -0.842 60.486 61.300 0.047 0.000 1.221 291 I CB 1.580 39.627 38.000 0.078 0.000 1.366 291 I HN 0.583 nan 8.210 nan 0.000 0.467 292 D N 3.792 124.235 120.400 0.072 0.000 2.330 292 D HA 0.227 4.867 4.640 0.001 0.000 0.249 292 D C 0.743 177.125 176.300 0.137 0.000 1.306 292 D CA -0.251 53.800 54.000 0.085 0.000 0.956 292 D CB 1.109 41.933 40.800 0.039 0.000 1.261 292 D HN 0.481 nan 8.370 nan 0.000 0.544 293 T N 1.091 115.758 114.554 0.189 0.000 2.635 293 T HA -0.146 4.205 4.350 0.001 0.000 0.267 293 T C 1.606 176.518 174.700 0.352 0.000 1.040 293 T CA 1.271 63.518 62.100 0.244 0.000 1.156 293 T CB -0.071 68.960 68.868 0.272 0.000 0.863 293 T HN 0.568 nan 8.240 nan 0.000 0.430 294 C N 1.067 120.571 119.300 0.339 0.000 2.754 294 C HA 0.565 5.026 4.460 0.001 0.000 0.276 294 C C 1.871 177.021 174.990 0.267 0.000 1.264 294 C CA -0.774 58.459 59.018 0.357 0.000 1.700 294 C CB -1.261 26.711 27.740 0.388 0.000 1.885 294 C HN 0.853 nan 8.230 nan 0.000 0.607 295 G N 1.790 110.685 108.800 0.159 0.000 2.273 295 G HA2 -0.261 3.699 3.960 0.001 0.000 0.280 295 G HA3 -0.261 3.699 3.960 0.001 0.000 0.280 295 G C 0.735 175.597 174.900 -0.063 0.000 1.047 295 G CA 0.786 45.827 45.100 -0.099 0.000 0.869 295 G HN 1.020 nan 8.290 nan 0.000 0.502 296 V N -3.092 116.895 119.914 0.122 0.000 2.759 296 V HA -0.115 4.005 4.120 0.001 0.000 0.256 296 V C 2.180 178.348 176.094 0.123 0.000 1.080 296 V CA 2.533 64.978 62.300 0.242 0.000 1.101 296 V CB -0.514 31.497 31.823 0.314 0.000 0.698 296 V HN 0.594 nan 8.190 nan 0.000 0.477 297 H N 2.177 121.188 119.070 -0.098 0.000 2.387 297 H HA -0.069 4.488 4.556 0.001 0.000 0.299 297 H C 2.111 177.341 175.328 -0.163 0.000 1.090 297 H CA 2.317 58.255 56.048 -0.183 0.000 1.332 297 H CB -0.168 29.484 29.762 -0.184 0.000 1.386 297 H HN 0.496 nan 8.280 nan 0.000 0.516 298 N N -0.216 118.299 118.700 -0.309 0.000 2.250 298 N HA -0.089 4.652 4.740 0.001 0.000 0.181 298 N C 1.879 177.255 175.510 -0.224 0.000 1.017 298 N CA 0.992 53.796 53.050 -0.411 0.000 0.866 298 N CB -0.127 37.811 38.487 -0.916 0.000 0.985 298 N HN 0.347 nan 8.380 nan 0.000 0.429 299 L N 0.376 121.507 121.223 -0.152 0.000 2.189 299 L HA 0.111 4.452 4.340 0.001 0.000 0.199 299 L C 1.860 178.580 176.870 -0.250 0.000 1.074 299 L CA 1.671 56.405 54.840 -0.177 0.000 0.783 299 L CB -0.557 41.379 42.059 -0.206 0.000 0.955 299 L HN 0.116 nan 8.230 nan 0.000 0.460 300 H N -1.327 117.794 119.070 0.085 0.000 2.476 300 H HA 0.299 4.855 4.556 0.001 0.000 0.292 300 H C 1.838 177.242 175.328 0.127 0.000 1.019 300 H CA 0.814 56.969 56.048 0.178 0.000 1.330 300 H CB -0.092 29.856 29.762 0.310 0.000 1.451 300 H HN 0.446 nan 8.280 nan 0.000 0.535 301 G N 1.329 110.180 108.800 0.084 0.000 2.496 301 G HA2 -0.110 3.851 3.960 0.001 0.000 0.214 301 G HA3 -0.110 3.851 3.960 0.001 0.000 0.214 301 G C 1.784 176.725 174.900 0.069 0.000 1.234 301 G CA 0.268 45.356 45.100 -0.020 0.000 0.807 301 G HN 0.144 nan 8.290 nan 0.000 0.543 302 L N 1.096 122.221 121.223 -0.164 0.000 2.027 302 L HA -0.022 4.319 4.340 0.001 0.000 0.206 302 L C -0.033 176.840 176.870 0.005 0.000 1.074 302 L CA 1.068 55.857 54.840 -0.085 0.000 0.745 302 L CB -1.124 40.803 42.059 -0.221 0.000 0.898 302 L HN 0.210 nan 8.230 nan 0.000 0.433 303 P HA -0.096 nan 4.420 nan 0.000 0.220 303 P C 1.561 178.894 177.300 0.055 0.000 1.148 303 P CA 1.453 64.545 63.100 -0.013 0.000 0.803 303 P CB -0.144 31.507 31.700 -0.083 0.000 0.782 304 G N 0.156 109.034 108.800 0.130 0.000 2.421 304 G HA2 -0.221 3.739 3.960 0.001 0.000 0.216 304 G HA3 -0.221 3.739 3.960 0.001 0.000 0.216 304 G C 1.465 176.515 174.900 0.251 0.000 1.171 304 G CA 0.524 45.766 45.100 0.236 0.000 0.775 304 G HN 0.217 nan 8.290 nan 0.000 0.543 305 L N -0.230 121.161 121.223 0.281 0.000 2.046 305 L HA -0.055 4.285 4.340 0.001 0.000 0.208 305 L C 2.718 179.807 176.870 0.365 0.000 1.077 305 L CA 0.583 55.636 54.840 0.355 0.000 0.747 305 L CB -0.496 41.782 42.059 0.364 0.000 0.896 305 L HN 0.234 nan 8.230 nan 0.000 0.432 306 L N 0.420 121.764 121.223 0.202 0.000 2.012 306 L HA -0.134 4.206 4.340 0.001 0.000 0.210 306 L C 2.366 179.326 176.870 0.149 0.000 1.073 306 L CA 2.263 57.188 54.840 0.142 0.000 0.748 306 L CB -1.113 40.974 42.059 0.046 0.000 0.891 306 L HN 0.150 nan 8.230 nan 0.000 0.431 307 G N -1.183 107.687 108.800 0.117 0.000 2.446 307 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 307 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 307 G C 1.520 176.462 174.900 0.069 0.000 1.168 307 G CA 0.634 45.783 45.100 0.082 0.000 0.771 307 G HN 0.618 nan 8.290 nan 0.000 0.551 308 G N 0.197 109.051 108.800 0.091 0.000 2.418 308 G HA2 -0.141 3.820 3.960 0.001 0.000 0.217 308 G HA3 -0.141 3.820 3.960 0.001 0.000 0.217 308 G C 1.635 176.468 174.900 -0.111 0.000 1.158 308 G CA 0.713 45.791 45.100 -0.036 0.000 0.771 308 G HN 0.371 nan 8.290 nan 0.000 0.545 309 F N 1.872 121.825 119.950 0.005 0.000 2.259 309 F HA -0.047 4.480 4.527 0.001 0.000 0.298 309 F C 3.145 178.934 175.800 -0.017 0.000 1.088 309 F CA 1.373 59.371 58.000 -0.002 0.000 1.358 309 F CB -0.093 38.914 39.000 0.012 0.000 1.040 309 F HN 0.257 nan 8.300 nan 0.000 0.505 310 S N 0.418 116.207 115.700 0.149 0.000 2.400 310 S HA -0.235 4.235 4.470 0.001 0.000 0.232 310 S C 2.239 176.851 174.600 0.020 0.000 1.025 310 S CA 0.935 59.177 58.200 0.070 0.000 0.993 310 S CB -0.897 62.328 63.200 0.043 0.000 0.808 310 S HN 0.259 nan 8.310 nan 0.000 0.478 311 A N 1.856 124.661 122.820 -0.024 0.000 1.978 311 A HA 0.074 4.395 4.320 0.001 0.000 0.220 311 A C 2.198 179.745 177.584 -0.061 0.000 1.170 311 A CA 1.465 53.460 52.037 -0.070 0.000 0.636 311 A CB -0.821 18.087 19.000 -0.154 0.000 0.810 311 A HN 0.649 nan 8.150 nan 0.000 0.448 312 I N -0.586 119.956 120.570 -0.047 0.000 2.315 312 I HA -0.222 3.949 4.170 0.001 0.000 0.248 312 I C 2.153 178.274 176.117 0.007 0.000 1.117 312 I CA 0.950 62.236 61.300 -0.024 0.000 1.404 312 I CB -0.287 37.710 38.000 -0.005 0.000 1.071 312 I HN 0.272 nan 8.210 nan 0.000 0.419 313 L N 0.060 121.298 121.223 0.025 0.000 2.217 313 L HA -0.104 4.236 4.340 0.001 0.000 0.211 313 L C 2.288 179.164 176.870 0.010 0.000 1.107 313 L CA 1.179 56.034 54.840 0.024 0.000 0.783 313 L CB -0.179 41.900 42.059 0.033 0.000 0.919 313 L HN 0.218 nan 8.230 nan 0.000 0.442 314 I N -1.507 119.063 120.570 0.001 0.000 2.927 314 I HA -0.022 4.148 4.170 0.001 0.000 0.268 314 I C 0.377 176.488 176.117 -0.010 0.000 1.153 314 I CA 0.218 61.516 61.300 -0.004 0.000 1.459 314 I CB 0.642 38.638 38.000 -0.006 0.000 1.149 314 I HN -0.157 nan 8.210 nan 0.000 0.443 315 V N 4.119 124.021 119.914 -0.020 0.000 2.311 315 V HA 0.276 4.397 4.120 0.001 0.000 0.275 315 V C -2.247 173.837 176.094 -0.017 0.000 1.022 315 V CA -1.707 60.580 62.300 -0.022 0.000 0.830 315 V CB 0.494 32.295 31.823 -0.037 0.000 1.012 315 V HN 0.049 nan 8.190 nan 0.000 0.452 316 P HA 0.246 nan 4.420 nan 0.000 0.267 316 P C 0.927 178.224 177.300 -0.005 0.000 1.205 316 P CA 0.978 64.076 63.100 -0.004 0.000 0.765 316 P CB 1.202 32.902 31.700 -0.001 0.000 0.828 317 G N 3.218 112.016 108.800 -0.004 0.000 2.194 317 G HA2 -0.283 3.677 3.960 0.001 0.000 0.236 317 G HA3 -0.283 3.677 3.960 0.001 0.000 0.236 317 G C 0.570 175.467 174.900 -0.005 0.000 0.987 317 G CA 0.239 45.338 45.100 -0.002 0.000 0.635 317 G HN 0.637 nan 8.290 nan 0.000 0.520 318 I N -1.161 119.401 120.570 -0.014 0.000 3.684 318 I HA 0.680 4.851 4.170 0.001 0.000 0.304 318 I C 2.284 178.388 176.117 -0.022 0.000 1.278 318 I CA 0.916 62.204 61.300 -0.020 0.000 1.272 318 I CB -0.128 37.845 38.000 -0.046 0.000 1.029 318 I HN 0.179 nan 8.210 nan 0.000 0.458 319 A N 1.821 124.631 122.820 -0.016 0.000 1.892 319 A HA -0.158 4.162 4.320 0.001 0.000 0.218 319 A C 2.358 179.937 177.584 -0.009 0.000 1.188 319 A CA 2.555 54.582 52.037 -0.017 0.000 0.631 319 A CB -1.110 17.892 19.000 0.004 0.000 0.822 319 A HN 0.364 nan 8.150 nan 0.000 0.447 320 V N -0.362 119.554 119.914 0.004 0.000 2.261 320 V HA -0.237 3.883 4.120 0.001 0.000 0.246 320 V C 3.069 179.176 176.094 0.021 0.000 1.047 320 V CA 2.077 64.383 62.300 0.010 0.000 1.015 320 V CB -1.326 30.502 31.823 0.008 0.000 0.642 320 V HN 0.644 nan 8.190 nan 0.000 0.446 321 A N -0.738 122.104 122.820 0.036 0.000 1.902 321 A HA -0.290 4.031 4.320 0.001 0.000 0.217 321 A C 2.171 179.864 177.584 0.181 0.000 1.181 321 A CA 2.189 54.276 52.037 0.083 0.000 0.623 321 A CB -0.525 18.530 19.000 0.092 0.000 0.818 321 A HN 0.546 nan 8.150 nan 0.000 0.443 322 Q N -0.145 119.722 119.800 0.111 0.000 2.046 322 Q HA -0.039 4.302 4.340 0.001 0.000 0.200 322 Q C 1.910 177.955 176.000 0.074 0.000 0.975 322 Q CA 1.662 57.512 55.803 0.079 0.000 0.836 322 Q CB -0.421 28.221 28.738 -0.161 0.000 0.896 322 Q HN 0.651 nan 8.270 nan 0.000 0.428 323 L N -0.534 120.670 121.223 -0.031 0.000 2.083 323 L HA -0.177 4.163 4.340 0.001 0.000 0.209 323 L C 2.310 179.182 176.870 0.005 0.000 1.083 323 L CA 1.582 56.387 54.840 -0.059 0.000 0.752 323 L CB -0.715 41.323 42.059 -0.036 0.000 0.899 323 L HN 0.275 nan 8.230 nan 0.000 0.433 324 T N -0.347 114.220 114.554 0.021 0.000 2.708 324 T HA -0.136 4.214 4.350 0.001 0.000 0.266 324 T C 1.862 176.547 174.700 -0.026 0.000 1.037 324 T CA 1.401 63.499 62.100 -0.002 0.000 1.146 324 T CB -0.605 68.255 68.868 -0.014 0.000 0.865 324 T HN 0.558 nan 8.240 nan 0.000 0.435 325 G N 1.206 109.999 108.800 -0.010 0.000 2.418 325 G HA2 -0.131 3.830 3.960 0.001 0.000 0.217 325 G HA3 -0.131 3.830 3.960 0.001 0.000 0.217 325 G C 1.541 176.402 174.900 -0.065 0.000 1.158 325 G CA 0.483 45.447 45.100 -0.226 0.000 0.771 325 G HN 0.490 nan 8.290 nan 0.000 0.545 326 I N 1.226 121.877 120.570 0.135 0.000 2.226 326 I HA -0.084 4.086 4.170 0.001 0.000 0.245 326 I C 3.084 179.234 176.117 0.055 0.000 1.100 326 I CA 0.990 62.358 61.300 0.113 0.000 1.374 326 I CB -0.466 37.549 38.000 0.025 0.000 1.057 326 I HN 0.245 nan 8.210 nan 0.000 0.413 327 G N 1.257 110.071 108.800 0.024 0.000 2.421 327 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 327 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 327 G C 1.697 176.600 174.900 0.006 0.000 1.171 327 G CA 0.697 45.804 45.100 0.012 0.000 0.775 327 G HN 0.306 nan 8.290 nan 0.000 0.543 328 I N 0.788 121.346 120.570 -0.019 0.000 2.179 328 I HA -0.183 3.987 4.170 0.001 0.000 0.242 328 I C 3.027 179.161 176.117 0.028 0.000 1.088 328 I CA 1.555 62.839 61.300 -0.026 0.000 1.357 328 I CB -0.562 37.383 38.000 -0.092 0.000 1.051 328 I HN 0.102 nan 8.210 nan 0.000 0.409 329 T N 1.354 115.935 114.554 0.045 0.000 2.684 329 T HA -0.164 4.187 4.350 0.001 0.000 0.267 329 T C 1.942 176.784 174.700 0.238 0.000 1.036 329 T CA 1.399 63.605 62.100 0.178 0.000 1.148 329 T CB -0.378 68.606 68.868 0.194 0.000 0.863 329 T HN 0.236 nan 8.240 nan 0.000 0.436 330 L N 0.594 121.891 121.223 0.124 0.000 2.046 330 L HA -0.073 4.267 4.340 0.001 0.000 0.208 330 L C 3.047 179.940 176.870 0.038 0.000 1.077 330 L CA 1.165 56.030 54.840 0.041 0.000 0.747 330 L CB -0.680 41.334 42.059 -0.076 0.000 0.896 330 L HN 0.247 nan 8.230 nan 0.000 0.432 331 A N 0.200 123.044 122.820 0.042 0.000 1.877 331 A HA -0.170 4.151 4.320 0.001 0.000 0.216 331 A C 2.243 179.870 177.584 0.070 0.000 1.186 331 A CA 1.474 53.531 52.037 0.033 0.000 0.620 331 A CB -0.732 18.280 19.000 0.020 0.000 0.822 331 A HN 0.347 nan 8.150 nan 0.000 0.443 332 L N -0.893 120.411 121.223 0.134 0.000 2.093 332 L HA -0.172 4.168 4.340 0.001 0.000 0.208 332 L C 3.111 180.147 176.870 0.278 0.000 1.085 332 L CA 0.938 55.908 54.840 0.217 0.000 0.755 332 L CB -0.588 41.636 42.059 0.276 0.000 0.904 332 L HN 0.460 nan 8.230 nan 0.000 0.435 333 A N 0.317 123.281 122.820 0.239 0.000 1.858 333 A HA -0.175 4.146 4.320 0.001 0.000 0.216 333 A C 2.238 179.793 177.584 -0.049 0.000 1.190 333 A CA 1.520 53.555 52.037 -0.003 0.000 0.617 333 A CB -0.688 18.265 19.000 -0.078 0.000 0.827 333 A HN 0.333 nan 8.150 nan 0.000 0.443 334 L N -0.779 120.436 121.223 -0.014 0.000 2.044 334 L HA -0.123 4.218 4.340 0.001 0.000 0.205 334 L C 2.525 179.327 176.870 -0.113 0.000 1.075 334 L CA 1.190 55.992 54.840 -0.062 0.000 0.747 334 L CB -0.470 41.574 42.059 -0.025 0.000 0.903 334 L HN 0.364 nan 8.230 nan 0.000 0.435 335 I N -0.269 120.266 120.570 -0.058 0.000 2.202 335 I HA -0.194 3.976 4.170 0.001 0.000 0.242 335 I C 2.638 178.698 176.117 -0.095 0.000 1.091 335 I CA 1.459 62.724 61.300 -0.057 0.000 1.368 335 I CB -0.884 37.111 38.000 -0.008 0.000 1.058 335 I HN 0.264 nan 8.210 nan 0.000 0.410 336 G N 0.493 109.264 108.800 -0.049 0.000 2.440 336 G HA2 -0.198 3.763 3.960 0.001 0.000 0.218 336 G HA3 -0.198 3.763 3.960 0.001 0.000 0.218 336 G C 1.724 176.307 174.900 -0.528 0.000 1.154 336 G CA 0.878 45.966 45.100 -0.020 0.000 0.767 336 G HN 0.503 nan 8.290 nan 0.000 0.552 337 G N 0.323 108.488 108.800 -1.058 0.000 2.421 337 G HA2 -0.133 3.828 3.960 0.001 0.000 0.216 337 G HA3 -0.133 3.828 3.960 0.001 0.000 0.216 337 G C 1.785 176.346 174.900 -0.565 0.000 1.171 337 G CA 1.191 45.474 45.100 -1.362 0.000 0.775 337 G HN 0.318 nan 8.290 nan 0.000 0.543 338 V N 1.166 120.875 119.914 -0.342 0.000 2.343 338 V HA -0.151 3.970 4.120 0.001 0.000 0.247 338 V C 2.800 178.790 176.094 -0.173 0.000 1.051 338 V CA 1.554 63.735 62.300 -0.198 0.000 1.036 338 V CB -0.376 31.367 31.823 -0.133 0.000 0.654 338 V HN 0.394 nan 8.190 nan 0.000 0.451 339 I N 0.409 120.871 120.570 -0.179 0.000 2.179 339 I HA -0.249 3.922 4.170 0.001 0.000 0.242 339 I C 2.691 178.682 176.117 -0.211 0.000 1.088 339 I CA 1.533 62.736 61.300 -0.162 0.000 1.357 339 I CB -0.644 37.279 38.000 -0.130 0.000 1.051 339 I HN 0.290 nan 8.210 nan 0.000 0.409 340 A N 0.995 123.687 122.820 -0.212 0.000 1.908 340 A HA -0.159 4.161 4.320 0.001 0.000 0.218 340 A C 2.445 180.007 177.584 -0.036 0.000 1.181 340 A CA 2.054 54.010 52.037 -0.134 0.000 0.627 340 A CB -1.498 17.608 19.000 0.178 0.000 0.818 340 A HN 0.473 nan 8.150 nan 0.000 0.445 341 G N -0.649 108.108 108.800 -0.073 0.000 2.418 341 G HA2 0.009 3.969 3.960 0.001 0.000 0.217 341 G HA3 0.009 3.969 3.960 0.001 0.000 0.217 341 G C 1.747 176.622 174.900 -0.042 0.000 1.158 341 G CA 1.462 46.538 45.100 -0.040 0.000 0.771 341 G HN 0.827 nan 8.290 nan 0.000 0.545 342 A N 0.423 123.199 122.820 -0.073 0.000 1.933 342 A HA 0.107 4.427 4.320 0.001 0.000 0.218 342 A C 2.439 179.993 177.584 -0.050 0.000 1.175 342 A CA 1.261 53.261 52.037 -0.062 0.000 0.628 342 A CB -0.353 18.603 19.000 -0.074 0.000 0.814 342 A HN 0.363 nan 8.150 nan 0.000 0.444 343 L N -0.781 120.391 121.223 -0.085 0.000 2.044 343 L HA -0.121 4.219 4.340 0.001 0.000 0.205 343 L C 2.457 179.378 176.870 0.085 0.000 1.075 343 L CA 1.131 55.935 54.840 -0.059 0.000 0.747 343 L CB -0.458 41.425 42.059 -0.292 0.000 0.903 343 L HN 0.347 nan 8.230 nan 0.000 0.435 344 I N -0.102 120.551 120.570 0.138 0.000 2.208 344 I HA -0.329 3.841 4.170 0.001 0.000 0.245 344 I C 2.634 178.783 176.117 0.053 0.000 1.097 344 I CA 1.319 62.708 61.300 0.148 0.000 1.363 344 I CB -0.298 37.771 38.000 0.116 0.000 1.051 344 I HN 0.232 nan 8.210 nan 0.000 0.413 345 K N 1.168 121.580 120.400 0.019 0.000 2.211 345 K HA -0.169 4.151 4.320 0.001 0.000 0.204 345 K C 2.017 178.628 176.600 0.018 0.000 1.047 345 K CA 1.200 57.486 56.287 -0.002 0.000 0.935 345 K CB -0.080 32.411 32.500 -0.016 0.000 0.728 345 K HN 0.327 nan 8.250 nan 0.000 0.452 346 L N 0.361 121.607 121.223 0.037 0.000 2.362 346 L HA -0.101 4.239 4.340 0.001 0.000 0.219 346 L C 2.006 178.920 176.870 0.072 0.000 1.134 346 L CA 1.369 56.237 54.840 0.046 0.000 0.807 346 L CB -0.427 41.660 42.059 0.047 0.000 0.927 346 L HN 0.320 nan 8.230 nan 0.000 0.447 347 T N -3.188 111.430 114.554 0.108 0.000 3.122 347 T HA 0.500 4.851 4.350 0.001 0.000 0.250 347 T C 0.773 175.587 174.700 0.190 0.000 1.067 347 T CA 0.149 62.359 62.100 0.184 0.000 0.966 347 T CB 0.344 69.409 68.868 0.328 0.000 1.002 347 T HN 0.442 nan 8.240 nan 0.000 0.542 348 G N -0.127 108.724 108.800 0.085 0.000 2.498 348 G HA2 0.227 4.187 3.960 0.001 0.000 0.651 348 G HA3 0.227 4.187 3.960 0.001 0.000 0.651 348 G C -0.605 174.287 174.900 -0.013 0.000 1.284 348 G CA -0.392 44.738 45.100 0.049 0.000 0.950 348 G HN 0.636 nan 8.290 nan 0.000 0.511 349 T N -1.239 113.296 114.554 -0.031 0.000 2.831 349 T HA 0.815 5.165 4.350 0.001 0.000 0.287 349 T C 0.949 175.599 174.700 -0.084 0.000 1.070 349 T CA 0.962 63.018 62.100 -0.074 0.000 1.010 349 T CB 1.090 69.917 68.868 -0.068 0.000 1.264 349 T HN 1.960 nan 8.240 nan 0.000 0.532 350 T N 0.851 115.337 114.554 -0.113 0.000 2.898 350 T HA 0.357 4.708 4.350 0.001 0.000 0.301 350 T C 1.166 175.784 174.700 -0.137 0.000 1.049 350 T CA -0.389 61.642 62.100 -0.114 0.000 1.095 350 T CB 0.677 69.460 68.868 -0.141 0.000 0.976 350 T HN 0.642 nan 8.240 nan 0.000 0.539 351 K N 0.389 120.671 120.400 -0.197 0.000 2.044 351 K HA 0.019 4.340 4.320 0.001 0.000 0.204 351 K C 1.084 177.490 176.600 -0.323 0.000 1.049 351 K CA 0.937 57.027 56.287 -0.328 0.000 0.945 351 K CB 0.108 32.245 32.500 -0.605 0.000 0.724 351 K HN 0.721 nan 8.250 nan 0.000 0.440 352 Q N -0.191 119.441 119.800 -0.281 0.000 2.263 352 Q HA 0.367 4.708 4.340 0.001 0.000 0.262 352 Q C -1.797 174.170 176.000 -0.054 0.000 0.984 352 Q CA -0.497 55.254 55.803 -0.087 0.000 0.813 352 Q CB 2.021 30.808 28.738 0.082 0.000 1.299 352 Q HN 0.178 nan 8.270 nan 0.000 0.428 353 A N 2.731 125.440 122.820 -0.185 0.000 2.483 353 A HA 0.223 4.543 4.320 0.001 0.000 0.238 353 A C -0.615 176.719 177.584 -0.418 0.000 1.070 353 A CA 0.608 52.340 52.037 -0.508 0.000 0.770 353 A CB -0.361 18.135 19.000 -0.840 0.000 1.008 353 A HN 0.967 nan 8.150 nan 0.000 0.497 354 Y N -2.151 117.985 120.300 -0.275 0.000 4.668 354 Y HA -0.150 4.400 4.550 0.001 0.000 0.234 354 Y C 0.326 176.232 175.900 0.010 0.000 1.056 354 Y CA 1.090 58.952 58.100 -0.397 0.000 2.025 354 Y CB -2.101 36.201 38.460 -0.262 0.000 1.613 354 Y HN 0.832 nan 8.280 nan 0.000 0.653 355 E N 0.914 121.281 120.200 0.278 0.000 2.182 355 E HA 0.366 4.717 4.350 0.001 0.000 0.258 355 E C 0.427 177.216 176.600 0.316 0.000 0.879 355 E CA -0.379 56.190 56.400 0.282 0.000 0.754 355 E CB 0.785 30.620 29.700 0.226 0.000 1.162 355 E HN 0.092 nan 8.360 nan 0.000 0.419 356 D N 1.979 122.500 120.400 0.201 0.000 2.218 356 D HA -0.156 4.484 4.640 0.001 0.000 0.204 356 D C 1.403 177.792 176.300 0.148 0.000 0.976 356 D CA 1.535 55.619 54.000 0.139 0.000 0.853 356 D CB 0.116 40.810 40.800 -0.176 0.000 0.939 356 D HN 0.528 nan 8.370 nan 0.000 0.481 357 S N -0.383 115.296 115.700 -0.036 0.000 2.474 357 S HA -0.153 4.317 4.470 0.001 0.000 0.235 357 S C 1.533 176.058 174.600 -0.124 0.000 0.997 357 S CA 0.694 58.836 58.200 -0.098 0.000 0.949 357 S CB -0.434 62.648 63.200 -0.197 0.000 0.766 357 S HN 0.363 nan 8.310 nan 0.000 0.517 358 H N 0.835 119.970 119.070 0.108 0.000 2.548 358 H HA 0.286 4.842 4.556 0.001 0.000 0.268 358 H C 1.375 176.731 175.328 0.046 0.000 0.975 358 H CA 0.844 56.935 56.048 0.071 0.000 1.195 358 H CB 0.174 29.974 29.762 0.064 0.000 1.397 358 H HN 0.560 nan 8.280 nan 0.000 0.572 359 E N -0.234 120.054 120.200 0.147 0.000 2.434 359 E HA 0.134 4.484 4.350 0.001 0.000 0.207 359 E C -0.439 175.914 176.600 -0.412 0.000 0.929 359 E CA 0.118 56.472 56.400 -0.076 0.000 1.001 359 E CB 0.817 30.515 29.700 -0.003 0.000 1.016 359 E HN 0.152 nan 8.360 nan 0.000 0.502 360 F N 0.876 120.878 119.950 0.087 0.000 2.565 360 F HA 0.376 4.903 4.527 0.001 0.000 0.313 360 F C 0.532 176.365 175.800 0.055 0.000 1.091 360 F CA -1.387 56.674 58.000 0.101 0.000 0.915 360 F CB 1.409 40.561 39.000 0.254 0.000 1.208 360 F HN -0.222 nan 8.300 nan 0.000 0.453 361 I N -0.919 119.738 120.570 0.144 0.000 3.138 361 I HA 0.338 4.509 4.170 0.001 0.000 0.288 361 I C 0.100 176.256 176.117 0.064 0.000 1.148 361 I CA -0.385 60.895 61.300 -0.034 0.000 1.315 361 I CB 0.262 38.073 38.000 -0.314 0.000 1.426 361 I HN 0.872 nan 8.210 nan 0.000 0.615 362 H N -0.244 118.897 119.070 0.118 0.000 2.791 362 H HA -0.122 4.434 4.556 0.001 0.000 0.302 362 H C -1.057 174.340 175.328 0.114 0.000 1.198 362 H CA 0.297 56.407 56.048 0.103 0.000 1.145 362 H CB -1.160 28.662 29.762 0.100 0.000 1.385 362 H HN 0.470 nan 8.280 nan 0.000 0.409 363 L N 0.523 121.860 121.223 0.189 0.000 2.441 363 L HA 0.678 5.018 4.340 0.001 0.000 0.270 363 L C -0.104 176.794 176.870 0.046 0.000 0.973 363 L CA -0.117 54.789 54.840 0.111 0.000 0.842 363 L CB 1.324 43.440 42.059 0.096 0.000 1.239 363 L HN 0.260 nan 8.230 nan 0.000 0.406 364 A N 3.151 125.988 122.820 0.028 0.000 2.425 364 A HA 0.605 4.926 4.320 0.001 0.000 0.242 364 A C 0.710 178.276 177.584 -0.029 0.000 1.077 364 A CA 0.326 52.367 52.037 0.007 0.000 0.781 364 A CB -0.021 18.987 19.000 0.012 0.000 1.020 364 A HN 0.908 nan 8.150 nan 0.000 0.494 365 G N 0.500 109.279 108.800 -0.036 0.000 2.634 365 G HA2 0.423 4.383 3.960 0.001 0.000 0.255 365 G HA3 0.423 4.383 3.960 0.001 0.000 0.255 365 G C -1.231 173.649 174.900 -0.033 0.000 1.205 365 G CA -0.583 44.480 45.100 -0.062 0.000 0.884 365 G HN 0.533 nan 8.290 nan 0.000 0.549 366 P HA -0.070 nan 4.420 nan 0.000 0.226 366 P C 1.401 178.705 177.300 0.006 0.000 1.153 366 P CA 0.903 63.999 63.100 -0.006 0.000 0.777 366 P CB 0.217 31.923 31.700 0.009 0.000 0.794 367 E N 0.787 120.994 120.200 0.011 0.000 2.265 367 E HA -0.196 4.154 4.350 0.001 0.000 0.196 367 E C 0.648 177.255 176.600 0.012 0.000 0.996 367 E CA 1.179 57.589 56.400 0.016 0.000 0.832 367 E CB -1.047 28.666 29.700 0.022 0.000 0.756 367 E HN 0.188 nan 8.360 nan 0.000 0.491 368 D N 1.354 121.758 120.400 0.008 0.000 2.312 368 D HA -0.001 4.639 4.640 0.001 0.000 0.211 368 D C 0.460 176.764 176.300 0.006 0.000 0.964 368 D CA 0.487 54.492 54.000 0.008 0.000 0.877 368 D CB 0.048 40.852 40.800 0.006 0.000 0.924 368 D HN 0.385 nan 8.370 nan 0.000 0.515 369 E N 0.000 120.203 120.200 0.005 0.000 2.725 369 E HA 0.000 4.350 4.350 0.001 0.000 0.291 369 E CA 0.000 56.403 56.400 0.004 0.000 0.976 369 E CB 0.000 29.701 29.700 0.002 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440