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 1tnu_1_F DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.921 176.870 0.086 0.000 1.165 18 L CA 0.000 54.876 54.840 0.061 0.000 0.813 18 L CB 0.000 42.084 42.059 0.041 0.000 0.961 19 D N -0.039 120.416 120.400 0.091 0.000 2.449 19 D HA 0.401 5.041 4.640 -0.000 0.000 0.250 19 D C -1.171 175.257 176.300 0.212 0.000 1.050 19 D CA -0.353 53.725 54.000 0.130 0.000 1.024 19 D CB 2.013 42.861 40.800 0.080 0.000 1.218 19 D HN 0.059 nan 8.370 nan 0.000 0.566 20 F N 0.672 120.663 119.950 0.068 0.000 2.332 20 F HA 0.299 4.825 4.527 -0.000 0.000 0.368 20 F C -0.521 175.319 175.800 0.068 0.000 1.110 20 F CA -1.325 56.747 58.000 0.119 0.000 1.087 20 F CB 0.642 39.727 39.000 0.142 0.000 1.235 20 F HN 0.097 nan 8.300 nan 0.000 0.470 21 L N 7.443 128.418 121.223 -0.414 0.000 2.544 21 L HA 0.118 4.458 4.340 -0.000 0.000 0.240 21 L C 2.065 178.439 176.870 -0.827 0.000 1.421 21 L CA 0.451 54.954 54.840 -0.562 0.000 1.206 21 L CB -1.420 40.297 42.059 -0.570 0.000 1.463 21 L HN 0.665 nan 8.230 nan 0.000 0.437 22 R N 0.869 120.899 120.500 -0.784 0.000 2.162 22 R HA -0.235 4.105 4.340 -0.000 0.000 0.245 22 R C 1.094 177.233 176.300 -0.268 0.000 1.129 22 R CA 2.366 58.140 56.100 -0.543 0.000 0.940 22 R CB -0.029 30.197 30.300 -0.123 0.000 0.875 22 R HN 0.503 nan 8.270 nan 0.000 0.437 23 D N -0.339 119.934 120.400 -0.212 0.000 2.144 23 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 23 D C 2.050 178.238 176.300 -0.186 0.000 0.984 23 D CA 0.959 54.876 54.000 -0.138 0.000 0.834 23 D CB -0.285 40.450 40.800 -0.108 0.000 0.955 23 D HN 0.117 nan 8.370 nan 0.000 0.465 24 R N 0.514 120.818 120.500 -0.326 0.000 2.091 24 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 24 R C 2.141 178.234 176.300 -0.346 0.000 1.136 24 R CA 1.385 57.266 56.100 -0.366 0.000 0.959 24 R CB -0.522 29.462 30.300 -0.527 0.000 0.856 24 R HN 0.342 nan 8.270 nan 0.000 0.437 25 H N -0.910 117.997 119.070 -0.271 0.000 2.428 25 H HA -0.003 4.553 4.556 -0.000 0.000 0.296 25 H C 2.053 177.289 175.328 -0.153 0.000 1.062 25 H CA 1.509 57.373 56.048 -0.306 0.000 1.350 25 H CB -0.276 29.304 29.762 -0.303 0.000 1.403 25 H HN 0.057 nan 8.280 nan 0.000 0.533 26 V N 1.140 121.100 119.914 0.077 0.000 2.295 26 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 26 V C 2.605 178.765 176.094 0.109 0.000 1.049 26 V CA 1.660 64.056 62.300 0.160 0.000 1.024 26 V CB -0.385 31.496 31.823 0.098 0.000 0.648 26 V HN 0.289 nan 8.190 nan 0.000 0.447 27 R N -1.075 119.440 120.500 0.025 0.000 2.091 27 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 27 R C 2.236 178.538 176.300 0.004 0.000 1.136 27 R CA 2.030 58.130 56.100 -0.001 0.000 0.959 27 R CB -0.514 29.761 30.300 -0.041 0.000 0.856 27 R HN 0.547 nan 8.270 nan 0.000 0.437 28 F N 0.503 120.353 119.950 -0.167 0.000 2.095 28 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 28 F C 1.730 177.437 175.800 -0.155 0.000 1.104 28 F CA 1.624 59.495 58.000 -0.216 0.000 1.232 28 F CB -0.300 38.497 39.000 -0.339 0.000 0.987 28 F HN -0.075 nan 8.300 nan 0.000 0.475 29 F N 0.274 120.371 119.950 0.245 0.000 2.171 29 F HA -0.234 4.293 4.527 -0.000 0.000 0.300 29 F C 2.630 178.401 175.800 -0.048 0.000 1.090 29 F CA 1.248 59.313 58.000 0.108 0.000 1.293 29 F CB -0.670 38.403 39.000 0.122 0.000 1.013 29 F HN 0.019 nan 8.300 nan 0.000 0.486 30 Q N 0.183 120.061 119.800 0.129 0.000 2.061 30 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 30 Q C 2.314 178.274 176.000 -0.067 0.000 0.984 30 Q CA 1.582 57.397 55.803 0.019 0.000 0.846 30 Q CB -0.151 28.590 28.738 0.004 0.000 0.902 30 Q HN 0.364 nan 8.270 nan 0.000 0.421 31 R N -0.507 119.913 120.500 -0.133 0.000 2.096 31 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 31 R C 2.414 178.573 176.300 -0.235 0.000 1.127 31 R CA 1.293 57.273 56.100 -0.201 0.000 0.968 31 R CB -0.477 29.658 30.300 -0.274 0.000 0.861 31 R HN 0.374 nan 8.270 nan 0.000 0.440 32 C N 0.674 119.821 119.300 -0.255 0.000 2.413 32 C HA -0.057 4.402 4.460 -0.000 0.000 0.277 32 C C 2.337 177.233 174.990 -0.157 0.000 1.265 32 C CA 0.358 59.245 59.018 -0.219 0.000 1.752 32 C CB -0.742 26.940 27.740 -0.096 0.000 1.998 32 C HN 0.372 nan 8.230 nan 0.000 0.489 33 L N 0.712 121.860 121.223 -0.126 0.000 2.478 33 L HA -0.016 4.324 4.340 -0.000 0.000 0.223 33 L C 2.172 178.928 176.870 -0.191 0.000 1.140 33 L CA 1.451 56.195 54.840 -0.160 0.000 0.842 33 L CB -1.493 40.489 42.059 -0.128 0.000 0.953 33 L HN 0.583 nan 8.230 nan 0.000 0.452 34 Q N -1.111 118.591 119.800 -0.164 0.000 1.786 34 Q HA 0.179 4.518 4.340 -0.000 0.000 0.353 34 Q C -0.103 175.807 176.000 -0.149 0.000 0.943 34 Q CA 0.346 56.059 55.803 -0.151 0.000 0.879 34 Q CB 0.214 28.877 28.738 -0.125 0.000 1.049 34 Q HN 0.107 nan 8.270 nan 0.000 0.435 35 V N 0.979 120.815 119.914 -0.130 0.000 2.823 35 V HA 0.448 4.567 4.120 -0.000 0.000 0.312 35 V C -0.919 175.110 176.094 -0.108 0.000 1.072 35 V CA -0.672 61.567 62.300 -0.103 0.000 0.937 35 V CB 2.102 33.882 31.823 -0.072 0.000 1.013 35 V HN 0.270 nan 8.190 nan 0.000 0.430 36 L N 3.566 124.749 121.223 -0.068 0.000 2.370 36 L HA 0.621 4.961 4.340 -0.000 0.000 0.266 36 L C -2.520 174.415 176.870 0.109 0.000 1.002 36 L CA -1.783 53.032 54.840 -0.042 0.000 0.818 36 L CB 2.157 44.156 42.059 -0.100 0.000 1.325 36 L HN 0.442 nan 8.230 nan 0.000 0.418 37 P HA 0.045 nan 4.420 nan 0.000 0.272 37 P C 0.371 177.783 177.300 0.187 0.000 1.223 37 P CA -0.372 62.845 63.100 0.195 0.000 0.784 37 P CB 0.671 32.497 31.700 0.211 0.000 0.923 38 E N 1.728 121.976 120.200 0.081 0.000 2.448 38 E HA -0.286 4.064 4.350 -0.000 0.000 0.203 38 E C 1.931 178.526 176.600 -0.007 0.000 1.046 38 E CA 0.905 57.334 56.400 0.048 0.000 0.871 38 E CB 0.053 29.768 29.700 0.025 0.000 0.790 38 E HN 0.386 nan 8.360 nan 0.000 0.545 39 R N 0.018 120.462 120.500 -0.092 0.000 2.189 39 R HA -0.143 4.197 4.340 -0.000 0.000 0.223 39 R C 1.190 177.218 176.300 -0.453 0.000 1.092 39 R CA 1.576 57.491 56.100 -0.308 0.000 0.989 39 R CB -1.147 28.865 30.300 -0.480 0.000 0.876 39 R HN 0.328 nan 8.270 nan 0.000 0.457 40 Y N 0.792 121.112 120.300 0.032 0.000 2.583 40 Y HA 0.096 4.646 4.550 -0.000 0.000 0.294 40 Y C 2.476 178.396 175.900 0.034 0.000 1.170 40 Y CA 0.131 58.255 58.100 0.040 0.000 1.265 40 Y CB 0.104 38.587 38.460 0.038 0.000 1.119 40 Y HN 0.379 nan 8.280 nan 0.000 0.522 41 S N -0.595 115.153 115.700 0.080 0.000 2.400 41 S HA -0.250 4.220 4.470 -0.000 0.000 0.232 41 S C 2.048 176.677 174.600 0.048 0.000 1.025 41 S CA 1.473 59.710 58.200 0.061 0.000 0.993 41 S CB -0.779 62.440 63.200 0.031 0.000 0.808 41 S HN 0.508 nan 8.310 nan 0.000 0.478 42 S N 1.096 116.825 115.700 0.047 0.000 2.603 42 S HA 0.204 4.674 4.470 -0.000 0.000 0.229 42 S C 1.379 176.010 174.600 0.052 0.000 0.972 42 S CA 0.375 58.599 58.200 0.040 0.000 0.935 42 S CB -0.652 62.575 63.200 0.045 0.000 0.769 42 S HN 0.584 nan 8.310 nan 0.000 0.536 43 L N 0.421 121.694 121.223 0.084 0.000 2.640 43 L HA 0.303 4.643 4.340 -0.000 0.000 0.230 43 L C 2.380 179.274 176.870 0.041 0.000 1.123 43 L CA 0.151 55.043 54.840 0.087 0.000 0.900 43 L CB -0.166 41.986 42.059 0.155 0.000 1.146 43 L HN 0.217 nan 8.230 nan 0.000 0.484 44 E N 1.347 121.555 120.200 0.015 0.000 2.086 44 E HA -0.278 4.072 4.350 -0.000 0.000 0.205 44 E C 1.957 178.506 176.600 -0.086 0.000 1.027 44 E CA 2.448 58.841 56.400 -0.011 0.000 0.830 44 E CB -0.236 29.442 29.700 -0.037 0.000 0.751 44 E HN 0.412 nan 8.360 nan 0.000 0.456 45 T N -2.734 111.680 114.554 -0.233 0.000 3.215 45 T HA 0.126 4.476 4.350 -0.000 0.000 0.254 45 T C 0.973 175.571 174.700 -0.169 0.000 1.149 45 T CA 0.667 62.565 62.100 -0.337 0.000 1.042 45 T CB -0.053 68.516 68.868 -0.498 0.000 0.966 45 T HN 0.009 nan 8.240 nan 0.000 0.534 46 S N 0.095 115.747 115.700 -0.079 0.000 2.937 46 S HA 0.322 4.792 4.470 -0.000 0.000 0.252 46 S C 1.417 176.019 174.600 0.003 0.000 1.022 46 S CA -0.744 57.420 58.200 -0.060 0.000 1.079 46 S CB 0.299 63.483 63.200 -0.026 0.000 1.035 46 S HN 0.386 nan 8.310 nan 0.000 0.594 47 R N 0.902 121.441 120.500 0.064 0.000 2.105 47 R HA -0.059 4.280 4.340 -0.000 0.000 0.239 47 R C 2.013 178.424 176.300 0.186 0.000 1.135 47 R CA 1.091 57.277 56.100 0.143 0.000 0.967 47 R CB -0.392 30.053 30.300 0.243 0.000 0.861 47 R HN 0.267 nan 8.270 nan 0.000 0.442 48 L N 0.930 122.240 121.223 0.144 0.000 2.083 48 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 48 L C 2.363 179.202 176.870 -0.052 0.000 1.083 48 L CA 2.343 57.233 54.840 0.084 0.000 0.752 48 L CB -0.886 41.121 42.059 -0.087 0.000 0.899 48 L HN 0.301 nan 8.230 nan 0.000 0.433 49 T N -3.438 111.027 114.554 -0.149 0.000 2.951 49 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 49 T C 1.946 176.357 174.700 -0.481 0.000 1.073 49 T CA 0.891 62.782 62.100 -0.348 0.000 1.134 49 T CB -0.391 68.259 68.868 -0.364 0.000 0.884 49 T HN 0.193 nan 8.240 nan 0.000 0.479 50 I N 2.220 122.680 120.570 -0.183 0.000 2.315 50 I HA 0.050 4.220 4.170 -0.000 0.000 0.248 50 I C 3.103 179.192 176.117 -0.047 0.000 1.117 50 I CA 1.055 62.338 61.300 -0.029 0.000 1.404 50 I CB -1.724 36.317 38.000 0.068 0.000 1.071 50 I HN 0.398 nan 8.210 nan 0.000 0.419 51 A N 0.825 123.626 122.820 -0.032 0.000 1.902 51 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 51 A C 2.291 179.797 177.584 -0.129 0.000 1.181 51 A CA 1.428 53.448 52.037 -0.029 0.000 0.623 51 A CB -1.084 18.004 19.000 0.146 0.000 0.818 51 A HN 0.385 nan 8.150 nan 0.000 0.443 52 F N 0.010 119.759 119.950 -0.334 0.000 2.095 52 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 52 F C 1.972 177.433 175.800 -0.564 0.000 1.104 52 F CA 1.658 59.371 58.000 -0.478 0.000 1.232 52 F CB -0.611 38.013 39.000 -0.627 0.000 0.987 52 F HN 0.257 nan 8.300 nan 0.000 0.475 53 F N 0.219 119.736 119.950 -0.721 0.000 2.126 53 F HA -0.239 4.287 4.527 -0.000 0.000 0.299 53 F C 2.590 177.837 175.800 -0.920 0.000 1.096 53 F CA 0.655 58.056 58.000 -0.998 0.000 1.255 53 F CB -0.807 37.975 39.000 -0.363 0.000 0.997 53 F HN 0.159 nan 8.300 nan 0.000 0.479 54 A N 0.363 122.962 122.820 -0.370 0.000 1.872 54 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 54 A C 2.125 179.371 177.584 -0.564 0.000 1.187 54 A CA 0.980 52.767 52.037 -0.417 0.000 0.614 54 A CB -0.940 18.029 19.000 -0.051 0.000 0.826 54 A HN 0.323 nan 8.150 nan 0.000 0.442 55 L N -0.836 120.132 121.223 -0.426 0.000 2.017 55 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 55 L C 2.887 179.497 176.870 -0.433 0.000 1.073 55 L CA 1.600 56.237 54.840 -0.339 0.000 0.745 55 L CB -0.487 41.434 42.059 -0.231 0.000 0.894 55 L HN 0.453 nan 8.230 nan 0.000 0.432 56 S N -0.190 115.096 115.700 -0.689 0.000 2.402 56 S HA -0.102 4.368 4.470 -0.000 0.000 0.229 56 S C 1.958 176.313 174.600 -0.408 0.000 1.021 56 S CA 1.194 59.016 58.200 -0.629 0.000 0.974 56 S CB -0.327 62.130 63.200 -1.237 0.000 0.800 56 S HN 0.535 nan 8.310 nan 0.000 0.484 57 G N 1.300 109.701 108.800 -0.666 0.000 2.402 57 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.216 57 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.216 57 G C 1.391 176.034 174.900 -0.429 0.000 1.162 57 G CA 0.648 45.330 45.100 -0.697 0.000 0.777 57 G HN 0.497 nan 8.290 nan 0.000 0.539 58 L N 0.321 121.289 121.223 -0.425 0.000 2.056 58 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 58 L C 2.600 179.436 176.870 -0.056 0.000 1.078 58 L CA 1.319 56.103 54.840 -0.093 0.000 0.749 58 L CB -0.320 41.698 42.059 -0.068 0.000 0.901 58 L HN 0.184 nan 8.230 nan 0.000 0.433 59 D N 0.147 120.480 120.400 -0.113 0.000 2.104 59 D HA -0.268 4.372 4.640 -0.000 0.000 0.194 59 D C 2.139 178.420 176.300 -0.031 0.000 0.994 59 D CA 1.517 55.478 54.000 -0.065 0.000 0.830 59 D CB 0.027 40.774 40.800 -0.088 0.000 0.959 59 D HN 0.023 nan 8.370 nan 0.000 0.452 60 M N -0.372 119.201 119.600 -0.045 0.000 2.267 60 M HA 0.008 4.488 4.480 -0.000 0.000 0.263 60 M C 1.606 177.923 176.300 0.028 0.000 1.063 60 M CA 1.101 56.386 55.300 -0.025 0.000 1.090 60 M CB -0.064 32.495 32.600 -0.070 0.000 1.392 60 M HN 0.100 nan 8.290 nan 0.000 0.422 61 L N -1.342 119.925 121.223 0.073 0.000 2.607 61 L HA 0.097 4.437 4.340 -0.000 0.000 0.228 61 L C 0.225 177.154 176.870 0.098 0.000 1.123 61 L CA -0.058 54.867 54.840 0.141 0.000 0.890 61 L CB -0.384 41.813 42.059 0.230 0.000 1.103 61 L HN 0.280 nan 8.230 nan 0.000 0.468 62 D N 0.251 120.684 120.400 0.055 0.000 2.699 62 D HA -0.196 4.444 4.640 -0.000 0.000 0.239 62 D C 0.146 176.472 176.300 0.043 0.000 1.136 62 D CA 0.739 54.763 54.000 0.040 0.000 0.668 62 D CB -0.787 40.039 40.800 0.044 0.000 1.060 62 D HN 0.195 nan 8.370 nan 0.000 0.429 63 S N -0.346 115.379 115.700 0.043 0.000 2.902 63 S HA 0.221 4.691 4.470 -0.000 0.000 0.250 63 S C 1.524 176.140 174.600 0.026 0.000 1.046 63 S CA -0.605 57.621 58.200 0.043 0.000 1.069 63 S CB 0.251 63.493 63.200 0.070 0.000 0.967 63 S HN 0.378 nan 8.310 nan 0.000 0.530 64 L N 2.169 123.397 121.223 0.008 0.000 2.265 64 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 64 L C 2.417 179.288 176.870 0.002 0.000 1.117 64 L CA 1.273 56.110 54.840 -0.005 0.000 0.782 64 L CB -0.327 41.723 42.059 -0.014 0.000 0.914 64 L HN 0.526 nan 8.230 nan 0.000 0.441 65 D N 0.195 120.600 120.400 0.009 0.000 2.221 65 D HA -0.172 4.468 4.640 -0.000 0.000 0.204 65 D C 1.778 178.082 176.300 0.007 0.000 0.982 65 D CA 1.565 55.571 54.000 0.009 0.000 0.857 65 D CB -0.443 40.363 40.800 0.011 0.000 0.934 65 D HN 0.401 nan 8.370 nan 0.000 0.475 66 V N -0.443 119.477 119.914 0.009 0.000 3.444 66 V HA 0.061 4.181 4.120 -0.000 0.000 0.271 66 V C 0.852 176.945 176.094 -0.002 0.000 1.188 66 V CA 0.400 62.703 62.300 0.006 0.000 1.168 66 V CB -1.230 30.602 31.823 0.014 0.000 0.810 66 V HN 0.243 nan 8.190 nan 0.000 0.500 67 V N -2.600 117.312 119.914 -0.003 0.000 3.102 67 V HA 0.593 4.713 4.120 -0.000 0.000 0.312 67 V C -0.289 175.803 176.094 -0.003 0.000 1.135 67 V CA -1.002 61.292 62.300 -0.011 0.000 1.022 67 V CB 1.884 33.695 31.823 -0.019 0.000 1.056 67 V HN 0.248 nan 8.190 nan 0.000 0.436 68 N N 1.732 120.430 118.700 -0.003 0.000 2.521 68 N HA 0.254 4.994 4.740 -0.000 0.000 0.236 68 N C 0.812 176.338 175.510 0.025 0.000 1.067 68 N CA -0.142 52.914 53.050 0.011 0.000 0.939 68 N CB 1.031 39.523 38.487 0.010 0.000 1.201 68 N HN 0.792 nan 8.380 nan 0.000 0.511 69 K N 1.600 122.016 120.400 0.028 0.000 2.074 69 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 69 K C 0.760 177.402 176.600 0.069 0.000 1.048 69 K CA 1.355 57.666 56.287 0.041 0.000 0.926 69 K CB 0.234 32.755 32.500 0.035 0.000 0.713 69 K HN 0.514 nan 8.250 nan 0.000 0.444 70 D N 1.073 121.513 120.400 0.068 0.000 2.117 70 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 70 D C 1.564 177.935 176.300 0.118 0.000 0.987 70 D CA 1.191 55.245 54.000 0.090 0.000 0.829 70 D CB -0.204 40.638 40.800 0.071 0.000 0.961 70 D HN 0.190 nan 8.370 nan 0.000 0.460 71 D N 0.774 121.234 120.400 0.099 0.000 2.097 71 D HA -0.085 4.555 4.640 -0.000 0.000 0.195 71 D C 2.376 178.787 176.300 0.186 0.000 0.989 71 D CA 0.436 54.509 54.000 0.122 0.000 0.827 71 D CB -0.332 40.507 40.800 0.065 0.000 0.966 71 D HN 0.285 nan 8.370 nan 0.000 0.456 72 I N 0.884 121.543 120.570 0.148 0.000 2.226 72 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 72 I C 2.437 178.718 176.117 0.273 0.000 1.100 72 I CA 0.731 62.157 61.300 0.209 0.000 1.374 72 I CB -0.214 37.854 38.000 0.114 0.000 1.057 72 I HN -0.037 nan 8.210 nan 0.000 0.413 73 I N 0.531 121.219 120.570 0.196 0.000 2.264 73 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 73 I C 2.519 178.806 176.117 0.284 0.000 1.111 73 I CA 1.188 62.603 61.300 0.192 0.000 1.382 73 I CB -0.404 37.714 38.000 0.196 0.000 1.060 73 I HN 0.261 nan 8.210 nan 0.000 0.418 74 E N -0.078 120.306 120.200 0.306 0.000 2.072 74 E HA -0.247 4.103 4.350 -0.000 0.000 0.191 74 E C 1.721 178.524 176.600 0.337 0.000 0.985 74 E CA 1.114 57.712 56.400 0.329 0.000 0.801 74 E CB -0.468 29.434 29.700 0.336 0.000 0.750 74 E HN 0.607 nan 8.360 nan 0.000 0.452 75 W N 1.984 123.418 121.300 0.223 0.000 2.335 75 W HA -0.139 4.521 4.660 -0.000 0.000 0.311 75 W C 2.001 178.585 176.519 0.108 0.000 1.213 75 W CA 1.455 58.933 57.345 0.222 0.000 1.274 75 W CB -0.508 29.054 29.460 0.170 0.000 1.148 75 W HN -0.065 nan 8.180 nan 0.000 0.498 76 I N -0.578 119.974 120.570 -0.030 0.000 2.163 76 I HA -0.384 3.786 4.170 -0.000 0.000 0.243 76 I C 2.166 178.178 176.117 -0.175 0.000 1.085 76 I CA 1.596 62.727 61.300 -0.283 0.000 1.347 76 I CB -0.960 36.932 38.000 -0.181 0.000 1.044 76 I HN -0.066 nan 8.210 nan 0.000 0.408 77 Y N 1.089 121.370 120.300 -0.032 0.000 2.403 77 Y HA -0.214 4.336 4.550 -0.000 0.000 0.291 77 Y C 2.917 178.655 175.900 -0.269 0.000 1.143 77 Y CA 1.389 59.447 58.100 -0.070 0.000 1.257 77 Y CB -0.590 37.839 38.460 -0.053 0.000 0.984 77 Y HN 0.280 nan 8.280 nan 0.000 0.550 78 S N -0.976 114.578 115.700 -0.244 0.000 2.515 78 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 78 S C 1.474 175.840 174.600 -0.390 0.000 0.987 78 S CA 0.617 58.529 58.200 -0.480 0.000 0.936 78 S CB -0.613 62.096 63.200 -0.819 0.000 0.766 78 S HN 0.491 nan 8.310 nan 0.000 0.528 79 L N 0.526 121.531 121.223 -0.363 0.000 2.592 79 L HA 0.293 4.633 4.340 -0.000 0.000 0.227 79 L C 1.249 177.886 176.870 -0.388 0.000 1.127 79 L CA -0.052 54.600 54.840 -0.313 0.000 0.884 79 L CB -0.171 41.710 42.059 -0.297 0.000 1.065 79 L HN 0.403 nan 8.230 nan 0.000 0.457 80 Q N 1.393 120.819 119.800 -0.624 0.000 2.296 80 Q HA 0.188 4.528 4.340 -0.000 0.000 0.262 80 Q C -0.662 175.007 176.000 -0.552 0.000 0.981 80 Q CA -0.268 54.903 55.803 -1.054 0.000 0.905 80 Q CB 1.475 29.561 28.738 -1.088 0.000 1.186 80 Q HN -0.012 nan 8.270 nan 0.000 0.399 81 V N 7.049 126.683 119.914 -0.466 0.000 2.338 81 V HA 0.141 4.261 4.120 -0.000 0.000 0.255 81 V C 0.245 176.193 176.094 -0.243 0.000 1.082 81 V CA -0.080 62.054 62.300 -0.275 0.000 0.951 81 V CB -0.094 31.612 31.823 -0.194 0.000 1.102 81 V HN 0.732 nan 8.190 nan 0.000 0.489 82 L N 7.808 128.903 121.223 -0.213 0.000 2.439 82 L HA 0.450 4.790 4.340 -0.000 0.000 0.261 82 L C -1.805 174.992 176.870 -0.122 0.000 1.153 82 L CA -1.762 52.978 54.840 -0.166 0.000 0.808 82 L CB 1.213 43.179 42.059 -0.155 0.000 1.126 82 L HN 0.371 nan 8.230 nan 0.000 0.460 83 P HA 0.076 nan 4.420 nan 0.000 0.275 83 P C -0.467 176.790 177.300 -0.073 0.000 1.227 83 P CA -0.371 62.681 63.100 -0.080 0.000 0.781 83 P CB 0.752 32.409 31.700 -0.071 0.000 0.906 84 T N -1.375 113.141 114.554 -0.063 0.000 2.698 84 T HA 0.235 4.585 4.350 -0.000 0.000 0.295 84 T C 1.743 176.413 174.700 -0.050 0.000 1.007 84 T CA 0.380 62.447 62.100 -0.055 0.000 0.980 84 T CB -0.406 68.433 68.868 -0.048 0.000 1.036 84 T HN 0.440 nan 8.240 nan 0.000 0.526 85 E N 1.060 121.233 120.200 -0.045 0.000 2.048 85 E HA -0.261 4.089 4.350 -0.000 0.000 0.202 85 E C 1.608 178.185 176.600 -0.039 0.000 1.021 85 E CA 2.121 58.496 56.400 -0.041 0.000 0.825 85 E CB -1.687 27.992 29.700 -0.036 0.000 0.756 85 E HN 1.000 nan 8.360 nan 0.000 0.454 86 D N -0.820 119.558 120.400 -0.037 0.000 2.348 86 D HA -0.088 4.552 4.640 -0.000 0.000 0.216 86 D C 0.672 176.950 176.300 -0.037 0.000 0.970 86 D CA 0.565 54.544 54.000 -0.035 0.000 0.889 86 D CB -0.302 40.478 40.800 -0.033 0.000 0.912 86 D HN 0.519 nan 8.370 nan 0.000 0.524 87 R N -0.671 119.804 120.500 -0.041 0.000 3.641 87 R HA -0.162 4.178 4.340 -0.000 0.000 0.286 87 R C 0.672 176.947 176.300 -0.041 0.000 1.153 87 R CA 0.844 56.918 56.100 -0.044 0.000 0.775 87 R CB -2.943 27.332 30.300 -0.042 0.000 1.215 87 R HN 0.487 nan 8.270 nan 0.000 0.474 88 S N 0.089 115.764 115.700 -0.041 0.000 2.593 88 S HA -0.032 4.437 4.470 -0.000 0.000 0.217 88 S C 1.042 175.616 174.600 -0.043 0.000 0.966 88 S CA 0.393 58.569 58.200 -0.040 0.000 0.914 88 S CB 0.055 63.231 63.200 -0.039 0.000 0.776 88 S HN 0.540 nan 8.310 nan 0.000 0.523 89 N N 1.065 119.737 118.700 -0.047 0.000 2.338 89 N HA 0.206 4.946 4.740 -0.000 0.000 0.251 89 N C 0.868 176.347 175.510 -0.051 0.000 1.199 89 N CA -0.383 52.637 53.050 -0.050 0.000 0.879 89 N CB -0.444 38.010 38.487 -0.055 0.000 1.159 89 N HN 0.326 nan 8.380 nan 0.000 0.514 90 L N 0.161 121.356 121.223 -0.046 0.000 2.079 90 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 90 L C 0.940 177.787 176.870 -0.039 0.000 1.081 90 L CA 1.405 56.218 54.840 -0.045 0.000 0.752 90 L CB -0.224 41.812 42.059 -0.039 0.000 0.896 90 L HN 0.068 nan 8.230 nan 0.000 0.433 91 D N -0.085 120.294 120.400 -0.035 0.000 2.392 91 D HA -0.094 4.545 4.640 -0.000 0.000 0.228 91 D C 1.504 177.784 176.300 -0.033 0.000 1.003 91 D CA 0.793 54.775 54.000 -0.030 0.000 0.917 91 D CB 0.094 40.877 40.800 -0.028 0.000 0.890 91 D HN 0.329 nan 8.370 nan 0.000 0.532 92 R N -1.007 119.468 120.500 -0.041 0.000 2.565 92 R HA 0.235 4.575 4.340 -0.000 0.000 0.347 92 R C -0.000 176.267 176.300 -0.054 0.000 1.010 92 R CA -0.241 55.833 56.100 -0.044 0.000 1.126 92 R CB 0.424 30.695 30.300 -0.047 0.000 1.331 92 R HN 0.042 nan 8.270 nan 0.000 0.552 93 C N 0.721 119.987 119.300 -0.057 0.000 2.520 93 C HA 0.778 5.238 4.460 -0.000 0.000 0.376 93 C C 1.415 176.373 174.990 -0.054 0.000 1.268 93 C CA 0.287 59.259 59.018 -0.077 0.000 2.414 93 C CB 0.961 28.652 27.740 -0.082 0.000 2.521 93 C HN 0.783 nan 8.230 nan 0.000 0.618 94 G N 0.533 109.285 108.800 -0.081 0.000 2.384 94 G HA2 0.278 4.238 3.960 -0.000 0.000 0.150 94 G HA3 0.278 4.238 3.960 -0.000 0.000 0.150 94 G C -1.607 173.269 174.900 -0.040 0.000 1.269 94 G CA -0.486 44.638 45.100 0.039 0.000 1.094 94 G HN 0.430 nan 8.290 nan 0.000 0.467 95 F N 1.164 121.066 119.950 -0.081 0.000 2.593 95 F HA 0.780 5.307 4.527 -0.000 0.000 0.320 95 F C 0.818 176.572 175.800 -0.076 0.000 1.060 95 F CA -0.745 57.190 58.000 -0.109 0.000 0.940 95 F CB 2.121 41.030 39.000 -0.152 0.000 1.268 95 F HN 0.408 nan 8.300 nan 0.000 0.475 96 R N -0.018 120.521 120.500 0.065 0.000 2.573 96 R HA 0.494 4.833 4.340 -0.000 0.000 0.272 96 R C 0.937 177.264 176.300 0.046 0.000 1.009 96 R CA -0.397 55.734 56.100 0.052 0.000 1.059 96 R CB 0.740 31.027 30.300 -0.020 0.000 1.112 96 R HN 0.898 nan 8.270 nan 0.000 0.517 97 G N -0.062 108.786 108.800 0.081 0.000 2.464 97 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 97 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 97 G C 0.332 175.276 174.900 0.074 0.000 1.138 97 G CA 0.903 46.015 45.100 0.020 0.000 0.793 97 G HN 0.631 nan 8.290 nan 0.000 0.539 98 S N -1.923 113.877 115.700 0.167 0.000 2.694 98 S HA 0.351 4.821 4.470 -0.000 0.000 0.273 98 S C 0.367 175.085 174.600 0.197 0.000 1.180 98 S CA 0.490 58.819 58.200 0.216 0.000 0.864 98 S CB 0.745 64.131 63.200 0.309 0.000 1.198 98 S HN 0.495 nan 8.310 nan 0.000 0.499 99 S N 0.245 116.069 115.700 0.208 0.000 2.622 99 S HA 0.130 4.600 4.470 -0.000 0.000 0.236 99 S C 1.283 175.933 174.600 0.083 0.000 0.956 99 S CA 0.159 58.418 58.200 0.099 0.000 0.971 99 S CB -1.336 61.960 63.200 0.159 0.000 0.782 99 S HN 1.002 nan 8.310 nan 0.000 0.468 100 Y N 0.642 120.972 120.300 0.049 0.000 2.465 100 Y HA 0.088 4.638 4.550 -0.000 0.000 0.289 100 Y C 1.435 177.351 175.900 0.027 0.000 1.150 100 Y CA 0.276 58.402 58.100 0.043 0.000 1.293 100 Y CB -0.690 37.792 38.460 0.038 0.000 0.977 100 Y HN 0.307 nan 8.280 nan 0.000 0.556 101 L N 0.439 121.311 121.223 -0.586 0.000 2.478 101 L HA 0.136 4.476 4.340 -0.000 0.000 0.223 101 L C 1.829 178.623 176.870 -0.126 0.000 1.140 101 L CA 1.064 55.644 54.840 -0.434 0.000 0.842 101 L CB -0.660 41.020 42.059 -0.632 0.000 0.953 101 L HN 0.688 nan 8.230 nan 0.000 0.452 102 G N 0.667 109.429 108.800 -0.064 0.000 2.141 102 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 102 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 102 G C 0.248 175.168 174.900 0.033 0.000 0.982 102 G CA -0.290 44.822 45.100 0.021 0.000 0.662 102 G HN 0.269 nan 8.290 nan 0.000 0.527 103 I N 2.904 123.469 120.570 -0.010 0.000 2.556 103 I HA 0.203 4.373 4.170 -0.000 0.000 0.284 103 I C -0.847 175.288 176.117 0.031 0.000 1.114 103 I CA -1.638 59.667 61.300 0.007 0.000 1.418 103 I CB 0.683 38.649 38.000 -0.058 0.000 1.394 103 I HN 0.019 nan 8.210 nan 0.000 0.552 104 P HA -0.094 nan 4.420 nan 0.000 0.263 104 P C -0.378 176.985 177.300 0.105 0.000 1.195 104 P CA -0.081 63.069 63.100 0.084 0.000 0.762 104 P CB 0.250 31.988 31.700 0.062 0.000 0.799 105 F N 3.975 123.932 119.950 0.012 0.000 2.548 105 F HA -0.065 4.462 4.527 -0.000 0.000 0.403 105 F C 0.531 176.333 175.800 0.004 0.000 1.004 105 F CA 0.989 58.999 58.000 0.017 0.000 1.177 105 F CB -0.021 39.005 39.000 0.043 0.000 0.974 105 F HN 0.377 nan 8.300 nan 0.000 0.541 106 N N 7.683 126.084 118.700 -0.498 0.000 2.664 106 N HA 0.274 5.014 4.740 -0.000 0.000 0.268 106 N C -2.886 172.343 175.510 -0.470 0.000 1.222 106 N CA -1.854 50.990 53.050 -0.342 0.000 0.805 106 N CB 1.287 39.670 38.487 -0.173 0.000 1.399 106 N HN 0.167 nan 8.380 nan 0.000 0.547 107 P HA 0.072 nan 4.420 nan 0.000 0.237 107 P C -0.686 176.504 177.300 -0.184 0.000 1.701 107 P CA 0.192 63.117 63.100 -0.290 0.000 0.955 107 P CB -0.636 30.991 31.700 -0.122 0.000 1.937 108 S N -1.066 114.518 115.700 -0.192 0.000 3.549 108 S HA -0.220 4.250 4.470 -0.000 0.000 0.366 108 S C 1.409 175.895 174.600 -0.191 0.000 1.012 108 S CA 1.597 59.687 58.200 -0.184 0.000 1.141 108 S CB -1.690 61.408 63.200 -0.170 0.000 0.910 108 S HN 0.718 nan 8.310 nan 0.000 0.471 109 K N 0.131 120.441 120.400 -0.151 0.000 2.240 109 K HA 0.225 4.545 4.320 -0.000 0.000 0.202 109 K C 0.539 177.083 176.600 -0.093 0.000 1.053 109 K CA 0.969 57.187 56.287 -0.115 0.000 0.973 109 K CB -0.034 32.419 32.500 -0.077 0.000 0.924 109 K HN 0.532 nan 8.250 nan 0.000 0.477 110 N N 0.560 119.209 118.700 -0.086 0.000 2.485 110 N HA 0.385 5.125 4.740 -0.000 0.000 0.280 110 N C -2.631 172.831 175.510 -0.081 0.000 1.205 110 N CA -1.798 51.210 53.050 -0.070 0.000 0.959 110 N CB 1.175 39.630 38.487 -0.052 0.000 1.206 110 N HN 0.162 nan 8.380 nan 0.000 0.545 111 P HA 0.095 nan 4.420 nan 0.000 0.272 111 P C 0.084 177.338 177.300 -0.076 0.000 1.240 111 P CA -0.240 62.817 63.100 -0.073 0.000 0.791 111 P CB 0.232 31.897 31.700 -0.059 0.000 0.978 112 G N 0.345 109.096 108.800 -0.082 0.000 2.441 112 G HA2 0.365 4.325 3.960 -0.000 0.000 0.243 112 G HA3 0.365 4.325 3.960 -0.000 0.000 0.243 112 G C 0.085 174.949 174.900 -0.059 0.000 1.281 112 G CA -0.207 44.843 45.100 -0.083 0.000 0.854 112 G HN 0.640 nan 8.290 nan 0.000 0.560 113 T N -0.164 114.360 114.554 -0.049 0.000 2.744 113 T HA 0.623 4.973 4.350 -0.000 0.000 0.291 113 T C 0.609 175.305 174.700 -0.006 0.000 0.957 113 T CA -0.077 62.008 62.100 -0.026 0.000 1.002 113 T CB 1.301 70.161 68.868 -0.014 0.000 0.919 113 T HN 1.059 nan 8.240 nan 0.000 0.468 114 A N 3.308 126.122 122.820 -0.011 0.000 2.555 114 A HA 0.348 4.668 4.320 -0.000 0.000 0.233 114 A C 0.317 177.930 177.584 0.049 0.000 1.060 114 A CA 0.058 52.094 52.037 -0.001 0.000 0.759 114 A CB -0.184 18.800 19.000 -0.027 0.000 0.995 114 A HN 1.093 nan 8.150 nan 0.000 0.506 115 H N 3.408 122.440 119.070 -0.064 0.000 3.154 115 H HA 0.232 4.788 4.556 -0.000 0.000 0.330 115 H C -2.308 172.966 175.328 -0.089 0.000 1.033 115 H CA -1.038 54.979 56.048 -0.051 0.000 1.393 115 H CB 1.889 31.627 29.762 -0.039 0.000 1.951 115 H HN 0.437 nan 8.280 nan 0.000 0.466 116 P HA -0.149 nan 4.420 nan 0.000 0.218 116 P C 0.250 177.298 177.300 -0.420 0.000 1.146 116 P CA 1.426 64.381 63.100 -0.242 0.000 0.820 116 P CB 0.248 31.743 31.700 -0.342 0.000 0.778 117 Y N -1.442 119.076 120.300 0.363 0.000 2.641 117 Y HA 0.304 4.854 4.550 -0.000 0.000 0.248 117 Y C 0.385 176.239 175.900 -0.076 0.000 1.170 117 Y CA -0.980 57.192 58.100 0.121 0.000 1.201 117 Y CB 0.072 38.609 38.460 0.129 0.000 1.232 117 Y HN -0.110 nan 8.280 nan 0.000 0.537 118 D N 1.428 121.783 120.400 -0.074 0.000 2.280 118 D HA 0.464 5.104 4.640 -0.000 0.000 0.243 118 D C -0.234 176.009 176.300 -0.097 0.000 1.129 118 D CA 0.172 54.045 54.000 -0.212 0.000 0.848 118 D CB 0.725 41.336 40.800 -0.316 0.000 1.107 118 D HN 0.154 nan 8.370 nan 0.000 0.471 119 S N 1.495 117.151 115.700 -0.074 0.000 2.611 119 S HA 0.738 5.208 4.470 -0.000 0.000 0.268 119 S C 0.148 174.735 174.600 -0.022 0.000 1.156 119 S CA -0.872 57.300 58.200 -0.048 0.000 0.817 119 S CB 0.825 64.011 63.200 -0.023 0.000 1.122 119 S HN 0.463 nan 8.310 nan 0.000 0.466 120 G N -0.022 108.767 108.800 -0.018 0.000 2.616 120 G HA2 0.492 4.452 3.960 -0.000 0.000 0.268 120 G HA3 0.492 4.452 3.960 -0.000 0.000 0.268 120 G C -0.786 174.152 174.900 0.065 0.000 1.213 120 G CA -0.281 44.836 45.100 0.027 0.000 0.926 120 G HN 0.873 nan 8.290 nan 0.000 0.523 121 H N 0.644 119.708 119.070 -0.010 0.000 2.744 121 H HA 0.224 4.780 4.556 -0.000 0.000 0.339 121 H C 1.072 176.357 175.328 -0.071 0.000 1.004 121 H CA -0.707 55.310 56.048 -0.052 0.000 1.257 121 H CB 1.775 31.524 29.762 -0.022 0.000 1.552 121 H HN 0.383 nan 8.280 nan 0.000 0.522 122 I N 3.999 124.396 120.570 -0.289 0.000 2.236 122 I HA -0.347 3.823 4.170 -0.000 0.000 0.249 122 I C 1.928 178.075 176.117 0.050 0.000 1.102 122 I CA 1.956 63.156 61.300 -0.167 0.000 1.365 122 I CB -0.051 37.748 38.000 -0.334 0.000 1.051 122 I HN 0.708 nan 8.210 nan 0.000 0.420 123 A N -0.227 122.750 122.820 0.261 0.000 2.066 123 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 123 A C 2.100 179.776 177.584 0.153 0.000 1.157 123 A CA 1.084 53.326 52.037 0.342 0.000 0.670 123 A CB -0.258 19.015 19.000 0.455 0.000 0.804 123 A HN 0.424 nan 8.150 nan 0.000 0.453 124 M N -0.895 118.795 119.600 0.150 0.000 2.357 124 M HA -0.003 4.477 4.480 -0.000 0.000 0.266 124 M C 2.014 178.250 176.300 -0.107 0.000 1.095 124 M CA 1.545 56.831 55.300 -0.022 0.000 1.156 124 M CB -1.927 30.694 32.600 0.035 0.000 1.365 124 M HN 0.320 nan 8.290 nan 0.000 0.447 125 T N 0.562 115.117 114.554 0.001 0.000 2.746 125 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 125 T C 1.695 176.269 174.700 -0.211 0.000 1.039 125 T CA 1.488 63.554 62.100 -0.057 0.000 1.142 125 T CB -0.473 68.433 68.868 0.064 0.000 0.866 125 T HN 0.351 nan 8.240 nan 0.000 0.444 126 Y N 3.047 123.208 120.300 -0.232 0.000 2.070 126 Y HA -0.196 4.354 4.550 -0.000 0.000 0.279 126 Y C 2.712 178.384 175.900 -0.380 0.000 1.134 126 Y CA 1.907 59.839 58.100 -0.280 0.000 1.113 126 Y CB -1.290 37.033 38.460 -0.229 0.000 0.981 126 Y HN 0.293 nan 8.280 nan 0.000 0.487 127 T N -1.883 112.082 114.554 -0.981 0.000 2.881 127 T HA -0.047 4.303 4.350 -0.000 0.000 0.270 127 T C 2.193 176.485 174.700 -0.680 0.000 1.068 127 T CA 1.111 62.526 62.100 -1.142 0.000 1.131 127 T CB -1.355 66.988 68.868 -0.876 0.000 0.871 127 T HN 0.449 nan 8.240 nan 0.000 0.479 128 G N 1.959 110.378 108.800 -0.635 0.000 2.453 128 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.215 128 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.215 128 G C 1.487 175.947 174.900 -0.733 0.000 1.201 128 G CA 0.713 45.350 45.100 -0.771 0.000 0.784 128 G HN 0.504 nan 8.290 nan 0.000 0.545 129 L N 0.586 121.381 121.223 -0.714 0.000 2.042 129 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 129 L C 3.110 179.815 176.870 -0.275 0.000 1.076 129 L CA 1.370 55.954 54.840 -0.426 0.000 0.749 129 L CB -0.511 41.394 42.059 -0.258 0.000 0.893 129 L HN 0.334 nan 8.230 nan 0.000 0.432 130 S N -0.942 114.570 115.700 -0.314 0.000 2.359 130 S HA -0.234 4.236 4.470 -0.000 0.000 0.224 130 S C 2.176 176.712 174.600 -0.107 0.000 1.035 130 S CA 1.679 59.755 58.200 -0.206 0.000 1.018 130 S CB -0.320 62.617 63.200 -0.439 0.000 0.876 130 S HN 0.510 nan 8.310 nan 0.000 0.448 131 C N 1.038 120.246 119.300 -0.152 0.000 2.429 131 C HA 0.045 4.505 4.460 -0.000 0.000 0.277 131 C C 2.521 177.450 174.990 -0.101 0.000 1.262 131 C CA 0.600 59.565 59.018 -0.087 0.000 1.733 131 C CB -1.579 26.102 27.740 -0.099 0.000 2.010 131 C HN 0.583 nan 8.230 nan 0.000 0.483 132 L N 0.442 121.564 121.223 -0.168 0.000 2.012 132 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 132 L C 2.401 179.243 176.870 -0.047 0.000 1.073 132 L CA 1.712 56.475 54.840 -0.128 0.000 0.748 132 L CB -0.582 41.354 42.059 -0.205 0.000 0.891 132 L HN 0.362 nan 8.230 nan 0.000 0.431 133 I N -0.260 120.281 120.570 -0.047 0.000 2.226 133 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 133 I C 2.430 178.535 176.117 -0.020 0.000 1.100 133 I CA 1.477 62.764 61.300 -0.021 0.000 1.374 133 I CB -0.265 37.718 38.000 -0.028 0.000 1.057 133 I HN 0.196 nan 8.210 nan 0.000 0.413 134 I N 0.546 121.101 120.570 -0.025 0.000 2.286 134 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 134 I C 2.157 178.260 176.117 -0.024 0.000 1.115 134 I CA 1.462 62.745 61.300 -0.028 0.000 1.392 134 I CB -0.237 37.734 38.000 -0.049 0.000 1.065 134 I HN 0.230 nan 8.210 nan 0.000 0.418 135 L N 0.238 121.450 121.223 -0.018 0.000 2.599 135 L HA 0.113 4.452 4.340 -0.000 0.000 0.230 135 L C 1.641 178.522 176.870 0.017 0.000 1.141 135 L CA 0.694 55.534 54.840 -0.000 0.000 0.877 135 L CB -0.305 41.761 42.059 0.011 0.000 1.009 135 L HN 0.531 nan 8.230 nan 0.000 0.447 136 G N -0.067 108.743 108.800 0.016 0.000 2.194 136 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.236 136 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.236 136 G C 0.128 175.060 174.900 0.053 0.000 0.987 136 G CA 0.201 45.317 45.100 0.027 0.000 0.635 136 G HN 0.436 nan 8.290 nan 0.000 0.520 137 D N 0.720 121.163 120.400 0.071 0.000 2.400 137 D HA 0.401 5.041 4.640 -0.000 0.000 0.238 137 D C 1.337 177.717 176.300 0.133 0.000 1.157 137 D CA 0.592 54.666 54.000 0.124 0.000 0.889 137 D CB 0.521 41.422 40.800 0.168 0.000 1.199 137 D HN 0.266 nan 8.370 nan 0.000 0.436 138 D N 1.861 122.365 120.400 0.174 0.000 2.368 138 D HA 0.044 4.684 4.640 -0.000 0.000 0.218 138 D C 0.692 177.182 176.300 0.318 0.000 1.112 138 D CA -0.257 53.876 54.000 0.221 0.000 0.834 138 D CB -0.051 40.873 40.800 0.206 0.000 0.953 138 D HN 0.325 nan 8.370 nan 0.000 0.505 139 L N 0.250 121.648 121.223 0.292 0.000 4.429 139 L HA -0.297 4.043 4.340 -0.000 0.000 0.422 139 L C 1.776 178.762 176.870 0.192 0.000 1.149 139 L CA 1.032 56.053 54.840 0.301 0.000 0.972 139 L CB -2.940 39.321 42.059 0.338 0.000 2.059 139 L HN 0.324 nan 8.230 nan 0.000 0.870 140 S N -1.248 114.534 115.700 0.138 0.000 2.419 140 S HA -0.123 4.347 4.470 -0.000 0.000 0.233 140 S C 1.670 176.245 174.600 -0.042 0.000 1.016 140 S CA 1.266 59.470 58.200 0.006 0.000 0.974 140 S CB -0.222 62.979 63.200 0.003 0.000 0.786 140 S HN 0.650 nan 8.310 nan 0.000 0.492 141 R N 0.706 121.176 120.500 -0.050 0.000 2.320 141 R HA 0.321 4.661 4.340 -0.000 0.000 0.211 141 R C -0.593 175.737 176.300 0.050 0.000 0.931 141 R CA -0.071 55.905 56.100 -0.207 0.000 1.071 141 R CB 0.169 29.977 30.300 -0.820 0.000 1.025 141 R HN 0.253 nan 8.270 nan 0.000 0.495 142 V N 1.830 121.862 119.914 0.197 0.000 2.406 142 V HA 0.015 4.135 4.120 -0.000 0.000 0.272 142 V C 0.160 176.275 176.094 0.035 0.000 1.043 142 V CA -0.626 61.801 62.300 0.213 0.000 0.915 142 V CB 1.377 33.343 31.823 0.237 0.000 0.988 142 V HN 0.081 nan 8.190 nan 0.000 0.466 143 D N 4.942 125.341 120.400 -0.002 0.000 2.551 143 D HA 0.094 4.734 4.640 -0.000 0.000 0.223 143 D C 1.334 177.606 176.300 -0.046 0.000 1.144 143 D CA 0.034 54.002 54.000 -0.053 0.000 1.025 143 D CB 0.402 41.159 40.800 -0.073 0.000 1.085 143 D HN 0.502 nan 8.370 nan 0.000 0.506 144 K N 1.335 121.693 120.400 -0.070 0.000 2.077 144 K HA -0.205 4.115 4.320 -0.000 0.000 0.213 144 K C 1.450 178.011 176.600 -0.065 0.000 1.051 144 K CA 1.103 57.345 56.287 -0.076 0.000 0.929 144 K CB 0.200 32.608 32.500 -0.154 0.000 0.715 144 K HN 0.363 nan 8.250 nan 0.000 0.451 145 E N 0.278 120.434 120.200 -0.074 0.000 2.153 145 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 145 E C 2.021 178.594 176.600 -0.046 0.000 0.988 145 E CA 1.099 57.465 56.400 -0.058 0.000 0.811 145 E CB -0.174 29.491 29.700 -0.060 0.000 0.746 145 E HN 0.351 nan 8.360 nan 0.000 0.466 146 A N 0.738 123.528 122.820 -0.050 0.000 1.898 146 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 146 A C 2.633 180.196 177.584 -0.036 0.000 1.181 146 A CA 1.310 53.318 52.037 -0.048 0.000 0.620 146 A CB -0.871 18.091 19.000 -0.064 0.000 0.819 146 A HN 0.335 nan 8.150 nan 0.000 0.442 147 C N -0.595 118.691 119.300 -0.023 0.000 2.432 147 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 147 C C 2.636 177.619 174.990 -0.013 0.000 1.249 147 C CA 1.041 60.059 59.018 -0.000 0.000 1.725 147 C CB -1.532 26.231 27.740 0.039 0.000 2.028 147 C HN 0.622 nan 8.230 nan 0.000 0.477 148 L N 1.021 122.230 121.223 -0.025 0.000 2.083 148 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 148 L C 2.862 179.729 176.870 -0.006 0.000 1.083 148 L CA 1.529 56.355 54.840 -0.024 0.000 0.752 148 L CB -0.787 41.253 42.059 -0.033 0.000 0.899 148 L HN 0.357 nan 8.230 nan 0.000 0.433 149 A N 0.386 123.199 122.820 -0.013 0.000 1.898 149 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 149 A C 2.421 180.003 177.584 -0.004 0.000 1.181 149 A CA 1.658 53.690 52.037 -0.010 0.000 0.620 149 A CB -1.168 17.819 19.000 -0.021 0.000 0.819 149 A HN 0.423 nan 8.150 nan 0.000 0.442 150 G N -0.424 108.371 108.800 -0.009 0.000 2.418 150 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 150 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 150 G C 1.589 176.497 174.900 0.014 0.000 1.158 150 G CA 0.901 45.996 45.100 -0.008 0.000 0.771 150 G HN 0.404 nan 8.290 nan 0.000 0.545 151 L N -0.082 121.154 121.223 0.022 0.000 1.989 151 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 151 L C 3.225 180.194 176.870 0.165 0.000 1.071 151 L CA 1.323 56.202 54.840 0.064 0.000 0.749 151 L CB -0.277 41.790 42.059 0.014 0.000 0.890 151 L HN 0.205 nan 8.230 nan 0.000 0.431 152 R N -0.491 120.076 120.500 0.112 0.000 2.117 152 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 152 R C 2.140 178.467 176.300 0.044 0.000 1.143 152 R CA 1.458 57.616 56.100 0.096 0.000 0.968 152 R CB -0.488 29.841 30.300 0.047 0.000 0.863 152 R HN 0.456 nan 8.270 nan 0.000 0.444 153 A N 0.684 123.521 122.820 0.029 0.000 2.121 153 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 153 A C 1.960 179.540 177.584 -0.007 0.000 1.154 153 A CA 0.963 52.999 52.037 -0.002 0.000 0.679 153 A CB -0.254 18.741 19.000 -0.008 0.000 0.795 153 A HN 0.200 nan 8.150 nan 0.000 0.458 154 L N -1.069 120.182 121.223 0.046 0.000 2.446 154 L HA 0.063 4.403 4.340 -0.000 0.000 0.219 154 L C 1.369 178.200 176.870 -0.065 0.000 1.116 154 L CA -0.008 54.867 54.840 0.059 0.000 0.844 154 L CB -0.187 41.972 42.059 0.168 0.000 0.970 154 L HN 0.493 nan 8.230 nan 0.000 0.457 155 Q N 1.483 121.104 119.800 -0.298 0.000 2.314 155 Q HA 0.333 4.673 4.340 -0.000 0.000 0.258 155 Q C -0.593 175.155 176.000 -0.419 0.000 0.954 155 Q CA -0.134 55.177 55.803 -0.821 0.000 0.890 155 Q CB 0.959 29.079 28.738 -1.030 0.000 1.210 155 Q HN 0.238 nan 8.270 nan 0.000 0.410 156 L N 2.447 123.433 121.223 -0.395 0.000 2.448 156 L HA 0.315 4.655 4.340 -0.000 0.000 0.258 156 L C 1.809 178.572 176.870 -0.177 0.000 1.104 156 L CA 0.044 54.755 54.840 -0.215 0.000 0.800 156 L CB 0.444 42.408 42.059 -0.158 0.000 1.241 156 L HN 0.901 nan 8.230 nan 0.000 0.472 157 E N 0.757 120.897 120.200 -0.100 0.000 2.118 157 E HA -0.261 4.088 4.350 -0.000 0.000 0.195 157 E C 1.278 177.851 176.600 -0.045 0.000 0.992 157 E CA 1.693 58.055 56.400 -0.064 0.000 0.804 157 E CB -0.867 28.813 29.700 -0.034 0.000 0.741 157 E HN 0.882 nan 8.360 nan 0.000 0.458 158 D N -2.140 118.242 120.400 -0.030 0.000 2.363 158 D HA 0.244 4.883 4.640 -0.000 0.000 0.226 158 D C 1.501 177.832 176.300 0.052 0.000 1.020 158 D CA 1.169 55.198 54.000 0.049 0.000 0.892 158 D CB 0.025 40.907 40.800 0.137 0.000 0.900 158 D HN 0.848 nan 8.370 nan 0.000 0.531 159 G N -0.215 108.525 108.800 -0.101 0.000 2.234 159 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.235 159 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.235 159 G C 0.574 175.271 174.900 -0.338 0.000 0.997 159 G CA 0.433 45.450 45.100 -0.137 0.000 0.623 159 G HN 0.832 nan 8.290 nan 0.000 0.514 160 S N -0.173 115.182 115.700 -0.575 0.000 2.640 160 S HA 0.810 5.280 4.470 -0.000 0.000 0.262 160 S C -0.134 174.204 174.600 -0.437 0.000 1.232 160 S CA -0.238 57.558 58.200 -0.674 0.000 0.988 160 S CB 1.203 63.686 63.200 -1.195 0.000 1.034 160 S HN 0.579 nan 8.310 nan 0.000 0.569 161 F N -1.447 118.419 119.950 -0.140 0.000 2.593 161 F HA 0.596 5.123 4.527 -0.000 0.000 0.320 161 F C 0.351 176.208 175.800 0.094 0.000 1.060 161 F CA -0.995 56.997 58.000 -0.014 0.000 0.940 161 F CB 1.493 40.508 39.000 0.024 0.000 1.268 161 F HN 0.670 nan 8.300 nan 0.000 0.475 162 C N 0.386 119.798 119.300 0.186 0.000 2.354 162 C HA 0.709 5.169 4.460 -0.000 0.000 0.381 162 C C 1.447 176.239 174.990 -0.329 0.000 1.240 162 C CA 0.005 59.049 59.018 0.043 0.000 2.089 162 C CB 1.375 29.106 27.740 -0.015 0.000 2.234 162 C HN 0.967 nan 8.230 nan 0.000 0.544 163 A N 0.226 122.630 122.820 -0.693 0.000 1.997 163 A HA 0.402 4.721 4.320 -0.000 0.000 0.212 163 A C 0.537 177.702 177.584 -0.697 0.000 1.178 163 A CA 1.062 52.391 52.037 -1.180 0.000 0.698 163 A CB -0.139 17.880 19.000 -1.636 0.000 0.842 163 A HN 1.270 nan 8.150 nan 0.000 0.458 164 V N -4.745 114.952 119.914 -0.361 0.000 2.925 164 V HA 0.508 4.628 4.120 -0.000 0.000 0.311 164 V C -2.390 173.654 176.094 -0.083 0.000 1.104 164 V CA -1.647 60.550 62.300 -0.173 0.000 0.954 164 V CB 1.861 33.644 31.823 -0.067 0.000 1.022 164 V HN 0.060 nan 8.190 nan 0.000 0.427 165 P HA -0.113 nan 4.420 nan 0.000 0.219 165 P C 0.915 178.210 177.300 -0.008 0.000 1.146 165 P CA 1.375 64.459 63.100 -0.027 0.000 0.808 165 P CB 0.422 32.107 31.700 -0.025 0.000 0.779 166 E N -0.169 120.039 120.200 0.013 0.000 2.338 166 E HA 0.218 4.568 4.350 -0.000 0.000 0.197 166 E C 1.169 177.790 176.600 0.037 0.000 1.007 166 E CA 0.907 57.332 56.400 0.042 0.000 0.849 166 E CB -0.621 29.133 29.700 0.090 0.000 0.774 166 E HN 0.370 nan 8.360 nan 0.000 0.506 167 G N -0.581 108.229 108.800 0.018 0.000 2.576 167 G HA2 0.253 4.213 3.960 -0.000 0.000 0.686 167 G HA3 0.253 4.213 3.960 -0.000 0.000 0.686 167 G C -0.349 174.570 174.900 0.032 0.000 1.242 167 G CA -0.498 44.615 45.100 0.022 0.000 0.819 167 G HN 0.641 nan 8.290 nan 0.000 0.655 168 S N -0.628 115.099 115.700 0.045 0.000 2.660 168 S HA 0.713 5.183 4.470 -0.000 0.000 0.264 168 S C -0.456 174.217 174.600 0.121 0.000 1.131 168 S CA 0.137 58.387 58.200 0.083 0.000 0.846 168 S CB 1.320 64.560 63.200 0.066 0.000 1.151 168 S HN 2.100 nan 8.310 nan 0.000 0.486 169 E N 1.401 121.707 120.200 0.177 0.000 2.392 169 E HA 0.302 4.652 4.350 -0.000 0.000 0.256 169 E C -0.803 175.947 176.600 0.250 0.000 1.145 169 E CA -0.383 56.120 56.400 0.172 0.000 0.929 169 E CB 0.092 29.882 29.700 0.151 0.000 0.998 169 E HN 0.759 nan 8.360 nan 0.000 0.442 170 N N 0.644 119.443 118.700 0.166 0.000 2.249 170 N HA 0.399 5.139 4.740 -0.000 0.000 0.296 170 N C -1.375 174.173 175.510 0.063 0.000 1.051 170 N CA -0.523 52.631 53.050 0.174 0.000 0.815 170 N CB 2.141 40.679 38.487 0.085 0.000 1.487 170 N HN 0.634 nan 8.380 nan 0.000 0.475 171 D N -0.272 120.124 120.400 -0.008 0.000 2.879 171 D HA 0.113 4.753 4.640 -0.000 0.000 0.346 171 D C 0.575 176.868 176.300 -0.012 0.000 1.390 171 D CA -0.660 53.340 54.000 -0.002 0.000 0.838 171 D CB 0.438 41.200 40.800 -0.064 0.000 1.416 171 D HN 0.213 nan 8.370 nan 0.000 0.493 172 M N 0.039 119.709 119.600 0.115 0.000 2.195 172 M HA 0.040 4.520 4.480 -0.000 0.000 0.260 172 M C 1.828 178.142 176.300 0.024 0.000 1.066 172 M CA 1.775 57.156 55.300 0.135 0.000 1.089 172 M CB -0.394 32.273 32.600 0.112 0.000 1.377 172 M HN 0.459 nan 8.290 nan 0.000 0.411 173 R N -1.305 119.101 120.500 -0.157 0.000 2.096 173 R HA -0.175 4.165 4.340 -0.000 0.000 0.240 173 R C 2.052 178.369 176.300 0.028 0.000 1.139 173 R CA 2.073 58.074 56.100 -0.164 0.000 0.952 173 R CB -0.704 29.321 30.300 -0.459 0.000 0.854 173 R HN 0.432 nan 8.270 nan 0.000 0.436 174 F N -0.410 119.591 119.950 0.085 0.000 2.558 174 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 174 F C 2.224 177.973 175.800 -0.086 0.000 1.119 174 F CA -0.167 57.843 58.000 0.017 0.000 1.451 174 F CB 0.039 39.068 39.000 0.048 0.000 1.091 174 F HN -0.168 nan 8.300 nan 0.000 0.563 175 V N -0.361 119.656 119.914 0.171 0.000 2.358 175 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 175 V C 2.043 178.143 176.094 0.010 0.000 1.047 175 V CA 1.758 64.127 62.300 0.116 0.000 1.035 175 V CB -0.757 31.204 31.823 0.230 0.000 0.658 175 V HN 0.381 nan 8.190 nan 0.000 0.452 176 Y N 0.291 120.568 120.300 -0.039 0.000 2.181 176 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 176 Y C 2.526 178.298 175.900 -0.214 0.000 1.146 176 Y CA 1.607 59.656 58.100 -0.085 0.000 1.164 176 Y CB -0.715 37.733 38.460 -0.020 0.000 0.982 176 Y HN 0.239 nan 8.280 nan 0.000 0.515 177 C N 0.291 119.425 119.300 -0.278 0.000 2.432 177 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 177 C C 3.082 177.784 174.990 -0.480 0.000 1.249 177 C CA 1.258 60.004 59.018 -0.455 0.000 1.725 177 C CB -1.744 25.955 27.740 -0.068 0.000 2.028 177 C HN 0.736 nan 8.230 nan 0.000 0.477 178 A N 0.366 122.874 122.820 -0.521 0.000 1.902 178 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 178 A C 2.261 179.576 177.584 -0.449 0.000 1.181 178 A CA 2.368 54.014 52.037 -0.652 0.000 0.623 178 A CB -0.849 17.278 19.000 -1.456 0.000 0.818 178 A HN 0.561 nan 8.150 nan 0.000 0.443 179 S N -0.885 114.616 115.700 -0.332 0.000 2.359 179 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 179 S C 1.955 176.363 174.600 -0.321 0.000 1.035 179 S CA 1.489 59.602 58.200 -0.146 0.000 1.018 179 S CB -0.742 62.490 63.200 0.053 0.000 0.876 179 S HN 0.717 nan 8.310 nan 0.000 0.448 180 C N 1.240 120.240 119.300 -0.500 0.000 2.425 180 C HA 0.010 4.470 4.460 -0.000 0.000 0.277 180 C C 2.439 177.291 174.990 -0.230 0.000 1.280 180 C CA 0.256 59.020 59.018 -0.424 0.000 1.744 180 C CB -1.385 25.877 27.740 -0.797 0.000 1.989 180 C HN 0.544 nan 8.230 nan 0.000 0.491 181 I N 0.048 120.451 120.570 -0.279 0.000 2.142 181 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 181 I C 2.610 178.557 176.117 -0.284 0.000 1.078 181 I CA 1.530 62.710 61.300 -0.200 0.000 1.343 181 I CB -0.599 37.286 38.000 -0.192 0.000 1.046 181 I HN 0.349 nan 8.210 nan 0.000 0.405 182 C N -0.146 118.856 119.300 -0.497 0.000 2.401 182 C HA -0.251 4.209 4.460 -0.000 0.000 0.276 182 C C 2.806 177.254 174.990 -0.903 0.000 1.233 182 C CA 0.868 59.395 59.018 -0.819 0.000 1.753 182 C CB -1.118 25.808 27.740 -1.357 0.000 2.029 182 C HN 0.511 nan 8.230 nan 0.000 0.478 183 Y N 0.912 120.704 120.300 -0.846 0.000 2.145 183 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 183 Y C 2.504 178.350 175.900 -0.091 0.000 1.145 183 Y CA 1.809 59.703 58.100 -0.344 0.000 1.148 183 Y CB -0.362 38.057 38.460 -0.069 0.000 0.981 183 Y HN 0.246 nan 8.280 nan 0.000 0.507 184 M N -0.647 119.006 119.600 0.087 0.000 2.175 184 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 184 M C 1.672 178.093 176.300 0.201 0.000 1.063 184 M CA 1.377 56.775 55.300 0.162 0.000 1.119 184 M CB -0.220 32.450 32.600 0.116 0.000 1.377 184 M HN 0.235 nan 8.290 nan 0.000 0.415 185 L N 0.145 121.396 121.223 0.046 0.000 2.627 185 L HA 0.012 4.352 4.340 -0.000 0.000 0.233 185 L C 0.448 177.323 176.870 0.009 0.000 1.144 185 L CA -0.190 54.723 54.840 0.121 0.000 0.892 185 L CB -0.947 41.103 42.059 -0.015 0.000 1.039 185 L HN 0.435 nan 8.230 nan 0.000 0.442 186 N N 2.161 120.694 118.700 -0.278 0.000 2.707 186 N HA -0.275 4.465 4.740 -0.000 0.000 0.253 186 N C -0.477 174.892 175.510 -0.236 0.000 0.998 186 N CA 0.464 53.213 53.050 -0.503 0.000 0.751 186 N CB -0.873 36.959 38.487 -1.092 0.000 0.920 186 N HN 0.468 nan 8.380 nan 0.000 0.539 187 N N 0.002 118.535 118.700 -0.278 0.000 2.616 187 N HA 0.149 4.889 4.740 -0.000 0.000 0.281 187 N C -0.853 174.514 175.510 -0.239 0.000 1.145 187 N CA -0.516 52.452 53.050 -0.136 0.000 0.919 187 N CB 0.059 38.496 38.487 -0.083 0.000 1.509 187 N HN 0.268 nan 8.380 nan 0.000 0.537 188 W N 2.027 123.323 121.300 -0.008 0.000 3.391 188 W HA 0.167 4.827 4.660 -0.000 0.000 0.372 188 W C 1.800 178.333 176.519 0.023 0.000 1.171 188 W CA -0.181 57.173 57.345 0.014 0.000 1.862 188 W CB 0.087 29.560 29.460 0.021 0.000 1.048 188 W HN 0.631 nan 8.180 nan 0.000 0.726 189 S N -1.464 114.313 115.700 0.129 0.000 2.607 189 S HA 0.028 4.498 4.470 -0.000 0.000 0.224 189 S C 1.950 176.597 174.600 0.078 0.000 0.969 189 S CA 0.746 59.004 58.200 0.097 0.000 0.927 189 S CB -0.330 62.901 63.200 0.051 0.000 0.772 189 S HN 0.266 nan 8.310 nan 0.000 0.533 190 G N 1.468 110.301 108.800 0.054 0.000 2.534 190 G HA2 0.278 4.238 3.960 -0.000 0.000 0.217 190 G HA3 0.278 4.238 3.960 -0.000 0.000 0.217 190 G C 0.418 175.411 174.900 0.155 0.000 1.128 190 G CA 0.624 45.753 45.100 0.048 0.000 0.784 190 G HN 0.737 nan 8.290 nan 0.000 0.542 191 M N -2.178 117.552 119.600 0.217 0.000 2.622 191 M HA 0.502 4.982 4.480 -0.000 0.000 0.276 191 M C -2.074 174.359 176.300 0.222 0.000 1.265 191 M CA -1.039 54.448 55.300 0.313 0.000 0.850 191 M CB 2.233 35.140 32.600 0.512 0.000 1.720 191 M HN -0.187 nan 8.290 nan 0.000 0.465 192 D N 2.107 122.601 120.400 0.156 0.000 2.500 192 D HA 0.239 4.879 4.640 -0.000 0.000 0.219 192 D C 0.606 176.973 176.300 0.112 0.000 1.137 192 D CA -0.160 53.895 54.000 0.092 0.000 0.946 192 D CB 0.926 41.740 40.800 0.024 0.000 1.022 192 D HN 0.868 nan 8.370 nan 0.000 0.518 193 M N 3.319 122.998 119.600 0.132 0.000 2.144 193 M HA -0.227 4.253 4.480 -0.000 0.000 0.260 193 M C 1.851 178.177 176.300 0.043 0.000 1.067 193 M CA 1.562 56.922 55.300 0.100 0.000 1.095 193 M CB 0.162 32.777 32.600 0.025 0.000 1.365 193 M HN 0.237 nan 8.290 nan 0.000 0.406 194 K N 0.124 120.537 120.400 0.022 0.000 2.026 194 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 194 K C 1.790 178.399 176.600 0.015 0.000 1.048 194 K CA 1.637 57.925 56.287 0.002 0.000 0.929 194 K CB 0.012 32.510 32.500 -0.004 0.000 0.713 194 K HN 0.360 nan 8.250 nan 0.000 0.439 195 K N -0.143 120.271 120.400 0.024 0.000 2.097 195 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 195 K C 2.142 178.783 176.600 0.068 0.000 1.050 195 K CA 1.032 57.335 56.287 0.027 0.000 0.938 195 K CB -0.070 32.424 32.500 -0.009 0.000 0.718 195 K HN 0.181 nan 8.250 nan 0.000 0.442 196 A N 1.699 124.576 122.820 0.096 0.000 1.902 196 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 196 A C 2.114 179.794 177.584 0.160 0.000 1.181 196 A CA 1.205 53.345 52.037 0.172 0.000 0.623 196 A CB -0.566 18.588 19.000 0.257 0.000 0.818 196 A HN 0.157 nan 8.150 nan 0.000 0.443 197 I N -0.450 120.166 120.570 0.077 0.000 2.286 197 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 197 I C 2.845 178.960 176.117 -0.003 0.000 1.115 197 I CA 1.484 62.787 61.300 0.006 0.000 1.392 197 I CB -0.254 37.712 38.000 -0.058 0.000 1.065 197 I HN 0.453 nan 8.210 nan 0.000 0.418 198 S N 0.315 116.030 115.700 0.026 0.000 2.359 198 S HA -0.284 4.186 4.470 -0.000 0.000 0.224 198 S C 2.201 176.832 174.600 0.051 0.000 1.035 198 S CA 1.424 59.636 58.200 0.019 0.000 1.018 198 S CB -0.481 62.738 63.200 0.032 0.000 0.876 198 S HN 0.498 nan 8.310 nan 0.000 0.448 199 Y N 1.763 122.062 120.300 -0.001 0.000 2.181 199 Y HA -0.057 4.493 4.550 -0.000 0.000 0.288 199 Y C 1.969 177.882 175.900 0.022 0.000 1.146 199 Y CA 1.887 59.995 58.100 0.015 0.000 1.164 199 Y CB -0.388 38.093 38.460 0.035 0.000 0.982 199 Y HN 0.311 nan 8.280 nan 0.000 0.515 200 I N -0.323 120.322 120.570 0.125 0.000 2.226 200 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 200 I C 2.580 178.707 176.117 0.018 0.000 1.100 200 I CA 1.407 62.747 61.300 0.067 0.000 1.374 200 I CB -0.440 37.619 38.000 0.098 0.000 1.057 200 I HN 0.169 nan 8.210 nan 0.000 0.413 201 R N 0.679 121.158 120.500 -0.035 0.000 2.073 201 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 201 R C 2.383 178.683 176.300 0.001 0.000 1.134 201 R CA 1.264 57.364 56.100 -0.001 0.000 0.952 201 R CB -0.260 29.983 30.300 -0.094 0.000 0.850 201 R HN 0.327 nan 8.270 nan 0.000 0.433 202 R N 0.394 120.843 120.500 -0.085 0.000 2.293 202 R HA -0.069 4.271 4.340 -0.000 0.000 0.219 202 R C 2.107 178.301 176.300 -0.177 0.000 1.091 202 R CA 1.413 57.441 56.100 -0.121 0.000 1.004 202 R CB -0.095 30.116 30.300 -0.148 0.000 0.865 202 R HN 0.258 nan 8.270 nan 0.000 0.469 203 S N -0.172 115.395 115.700 -0.222 0.000 2.558 203 S HA -0.002 4.468 4.470 -0.000 0.000 0.217 203 S C 0.923 175.423 174.600 -0.167 0.000 0.975 203 S CA -0.264 57.795 58.200 -0.235 0.000 0.912 203 S CB -0.011 63.022 63.200 -0.278 0.000 0.776 203 S HN 0.193 nan 8.310 nan 0.000 0.526 204 M N 3.126 122.661 119.600 -0.109 0.000 2.246 204 M HA 0.226 4.706 4.480 -0.000 0.000 0.350 204 M C 0.344 176.544 176.300 -0.166 0.000 1.406 204 M CA 0.016 55.224 55.300 -0.152 0.000 1.089 204 M CB 0.745 33.297 32.600 -0.081 0.000 1.782 204 M HN 0.319 nan 8.290 nan 0.000 0.457 205 S N 3.522 119.062 115.700 -0.266 0.000 2.681 205 S HA 0.200 4.670 4.470 -0.000 0.000 0.270 205 S C 0.742 175.196 174.600 -0.243 0.000 1.209 205 S CA -0.432 57.604 58.200 -0.273 0.000 0.988 205 S CB 0.505 63.434 63.200 -0.452 0.000 1.006 205 S HN 0.747 nan 8.310 nan 0.000 0.558 206 Y N 0.752 121.013 120.300 -0.064 0.000 2.333 206 Y HA 0.050 4.600 4.550 -0.000 0.000 0.290 206 Y C 1.501 177.389 175.900 -0.020 0.000 1.144 206 Y CA 1.317 59.396 58.100 -0.034 0.000 1.228 206 Y CB -0.814 37.636 38.460 -0.016 0.000 0.985 206 Y HN 0.639 nan 8.280 nan 0.000 0.542 207 D N -1.032 118.946 120.400 -0.703 0.000 2.328 207 D HA -0.052 4.588 4.640 -0.000 0.000 0.226 207 D C 0.159 176.366 176.300 -0.155 0.000 1.066 207 D CA 0.456 54.275 54.000 -0.300 0.000 0.861 207 D CB -0.670 39.952 40.800 -0.297 0.000 0.912 207 D HN 0.446 nan 8.370 nan 0.000 0.521 208 N N -1.107 117.427 118.700 -0.276 0.000 2.965 208 N HA -0.098 4.642 4.740 -0.000 0.000 0.232 208 N C 0.670 175.866 175.510 -0.523 0.000 0.913 208 N CA 1.176 54.057 53.050 -0.281 0.000 0.981 208 N CB -1.574 36.852 38.487 -0.102 0.000 1.077 208 N HN 0.498 nan 8.380 nan 0.000 0.589 209 G N -0.113 108.073 108.800 -1.024 0.000 2.557 209 G HA2 0.612 4.572 3.960 -0.000 0.000 0.292 209 G HA3 0.612 4.572 3.960 -0.000 0.000 0.292 209 G C -0.327 174.055 174.900 -0.864 0.000 1.237 209 G CA -0.370 43.787 45.100 -1.573 0.000 0.978 209 G HN 0.035 nan 8.290 nan 0.000 0.498 210 L N 0.322 121.118 121.223 -0.711 0.000 2.307 210 L HA 0.689 5.029 4.340 -0.000 0.000 0.284 210 L C 0.751 177.438 176.870 -0.305 0.000 1.023 210 L CA -0.574 54.037 54.840 -0.380 0.000 0.810 210 L CB 1.200 43.123 42.059 -0.227 0.000 1.231 210 L HN 0.710 nan 8.230 nan 0.000 0.423 211 A N 2.210 124.896 122.820 -0.223 0.000 2.263 211 A HA 0.508 4.828 4.320 -0.000 0.000 0.318 211 A C 0.768 178.290 177.584 -0.103 0.000 1.111 211 A CA -0.350 51.599 52.037 -0.147 0.000 0.901 211 A CB 0.608 19.528 19.000 -0.134 0.000 1.280 211 A HN 0.700 nan 8.150 nan 0.000 0.503 212 Q N -0.595 119.157 119.800 -0.080 0.000 2.291 212 Q HA 0.078 4.418 4.340 -0.000 0.000 0.206 212 Q C 0.758 176.777 176.000 0.031 0.000 0.976 212 Q CA 1.373 57.151 55.803 -0.041 0.000 0.875 212 Q CB -0.090 28.603 28.738 -0.075 0.000 0.927 212 Q HN 0.899 nan 8.270 nan 0.000 0.450 213 G N -1.375 107.392 108.800 -0.054 0.000 2.559 213 G HA2 0.526 4.486 3.960 -0.000 0.000 0.291 213 G HA3 0.526 4.486 3.960 -0.000 0.000 0.291 213 G C -1.562 173.234 174.900 -0.173 0.000 1.424 213 G CA -0.379 44.644 45.100 -0.128 0.000 0.786 213 G HN 0.136 nan 8.290 nan 0.000 0.485 214 A N -0.817 121.870 122.820 -0.221 0.000 2.540 214 A HA 0.527 4.847 4.320 -0.000 0.000 0.239 214 A C 1.759 179.305 177.584 -0.063 0.000 1.061 214 A CA 1.731 53.683 52.037 -0.142 0.000 0.758 214 A CB -0.308 18.618 19.000 -0.124 0.000 0.991 214 A HN 2.837 nan 8.150 nan 0.000 0.502 215 G N 0.801 109.576 108.800 -0.042 0.000 2.304 215 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.252 215 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.252 215 G C 0.228 175.133 174.900 0.008 0.000 1.014 215 G CA 0.423 45.522 45.100 -0.000 0.000 0.619 215 G HN 0.764 nan 8.290 nan 0.000 0.525 216 L N 1.292 122.504 121.223 -0.019 0.000 2.476 216 L HA 0.452 4.792 4.340 -0.000 0.000 0.255 216 L C 1.084 177.941 176.870 -0.021 0.000 1.218 216 L CA -0.455 54.378 54.840 -0.012 0.000 0.819 216 L CB 0.536 42.579 42.059 -0.026 0.000 1.119 216 L HN 0.483 nan 8.230 nan 0.000 0.485 217 E N 0.383 120.583 120.200 0.000 0.000 2.366 217 E HA 0.099 4.449 4.350 -0.000 0.000 0.266 217 E C -0.253 176.326 176.600 -0.035 0.000 1.015 217 E CA -0.410 55.991 56.400 0.002 0.000 0.906 217 E CB 0.658 30.388 29.700 0.048 0.000 0.979 217 E HN 0.630 nan 8.360 nan 0.000 0.443 218 S N 4.538 120.159 115.700 -0.132 0.000 2.563 218 S HA -0.003 4.467 4.470 -0.000 0.000 0.284 218 S C -0.182 174.403 174.600 -0.024 0.000 1.331 218 S CA -0.354 57.687 58.200 -0.266 0.000 1.047 218 S CB 0.803 63.600 63.200 -0.670 0.000 0.859 218 S HN 0.678 nan 8.310 nan 0.000 0.514 219 H N 0.671 119.637 119.070 -0.173 0.000 2.996 219 H HA 0.359 4.915 4.556 -0.000 0.000 0.368 219 H C 1.112 176.523 175.328 0.138 0.000 1.185 219 H CA 0.007 56.088 56.048 0.055 0.000 1.160 219 H CB 1.527 31.281 29.762 -0.014 0.000 1.820 219 H HN 0.719 nan 8.280 nan 0.000 0.547 220 G N 1.850 110.661 108.800 0.018 0.000 2.442 220 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 220 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 220 G C 1.448 176.529 174.900 0.302 0.000 1.141 220 G CA 0.880 46.139 45.100 0.264 0.000 0.763 220 G HN 0.658 nan 8.290 nan 0.000 0.554 221 G N 0.896 109.923 108.800 0.378 0.000 2.404 221 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 221 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 221 G C 2.222 177.095 174.900 -0.046 0.000 1.174 221 G CA 1.815 46.839 45.100 -0.126 0.000 0.780 221 G HN 0.650 nan 8.290 nan 0.000 0.537 222 S N 0.032 115.768 115.700 0.060 0.000 2.406 222 S HA -0.076 4.394 4.470 -0.000 0.000 0.228 222 S C 2.215 176.808 174.600 -0.011 0.000 1.020 222 S CA 1.791 59.979 58.200 -0.021 0.000 0.965 222 S CB -0.582 62.587 63.200 -0.052 0.000 0.798 222 S HN 0.260 nan 8.310 nan 0.000 0.488 223 T N 2.051 116.610 114.554 0.009 0.000 2.777 223 T HA 0.021 4.370 4.350 -0.000 0.000 0.266 223 T C 1.275 175.990 174.700 0.025 0.000 1.040 223 T CA 1.372 63.454 62.100 -0.031 0.000 1.141 223 T CB -0.538 68.311 68.868 -0.032 0.000 0.868 223 T HN 0.499 nan 8.240 nan 0.000 0.444 224 F N 1.568 121.510 119.950 -0.013 0.000 2.075 224 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 224 F C 2.431 178.178 175.800 -0.089 0.000 1.113 224 F CA 0.758 58.740 58.000 -0.030 0.000 1.218 224 F CB -0.912 38.117 39.000 0.048 0.000 0.984 224 F HN 0.149 nan 8.300 nan 0.000 0.472 225 C N 1.089 120.258 119.300 -0.218 0.000 2.398 225 C HA -0.133 4.327 4.460 -0.000 0.000 0.276 225 C C 3.104 178.012 174.990 -0.137 0.000 1.222 225 C CA 1.336 60.181 59.018 -0.288 0.000 1.746 225 C CB -1.985 25.731 27.740 -0.040 0.000 2.039 225 C HN 0.759 nan 8.230 nan 0.000 0.470 226 G N 0.554 109.318 108.800 -0.060 0.000 2.414 226 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 226 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 226 G C 1.370 176.277 174.900 0.011 0.000 1.188 226 G CA 0.771 45.886 45.100 0.025 0.000 0.783 226 G HN 0.362 nan 8.290 nan 0.000 0.537 227 I N 2.047 122.591 120.570 -0.043 0.000 2.226 227 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 227 I C 3.260 179.322 176.117 -0.091 0.000 1.100 227 I CA 1.221 62.508 61.300 -0.023 0.000 1.374 227 I CB -1.378 36.599 38.000 -0.039 0.000 1.057 227 I HN 0.260 nan 8.210 nan 0.000 0.413 228 A N 0.247 122.891 122.820 -0.294 0.000 1.933 228 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 228 A C 2.601 180.185 177.584 0.000 0.000 1.175 228 A CA 2.007 53.888 52.037 -0.261 0.000 0.628 228 A CB -0.725 17.814 19.000 -0.770 0.000 0.814 228 A HN 0.411 nan 8.150 nan 0.000 0.444 229 S N -0.096 115.641 115.700 0.062 0.000 2.356 229 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 229 S C 1.842 176.498 174.600 0.094 0.000 1.032 229 S CA 1.486 59.770 58.200 0.139 0.000 1.005 229 S CB -0.466 62.829 63.200 0.158 0.000 0.867 229 S HN 0.521 nan 8.310 nan 0.000 0.449 230 L N 0.633 121.886 121.223 0.050 0.000 2.046 230 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 230 L C 2.598 179.474 176.870 0.010 0.000 1.077 230 L CA 0.938 55.785 54.840 0.012 0.000 0.747 230 L CB -0.757 41.315 42.059 0.021 0.000 0.896 230 L HN 0.420 nan 8.230 nan 0.000 0.432 231 C N -0.550 118.768 119.300 0.030 0.000 2.425 231 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 231 C C 2.635 177.663 174.990 0.063 0.000 1.280 231 C CA 0.168 59.209 59.018 0.039 0.000 1.744 231 C CB -0.737 27.024 27.740 0.035 0.000 1.989 231 C HN 0.399 nan 8.230 nan 0.000 0.491 232 L N 0.094 121.365 121.223 0.080 0.000 2.201 232 L HA -0.027 4.313 4.340 -0.000 0.000 0.212 232 L C 2.240 179.279 176.870 0.281 0.000 1.105 232 L CA 1.746 56.673 54.840 0.145 0.000 0.775 232 L CB -0.682 41.475 42.059 0.164 0.000 0.913 232 L HN 0.371 nan 8.230 nan 0.000 0.440 233 M N -1.712 117.883 119.600 -0.008 0.000 2.556 233 M HA 0.217 4.697 4.480 -0.000 0.000 0.245 233 M C 1.209 177.368 176.300 -0.234 0.000 1.128 233 M CA 0.645 55.685 55.300 -0.433 0.000 1.069 233 M CB -0.006 32.304 32.600 -0.483 0.000 1.469 233 M HN 0.299 nan 8.290 nan 0.000 0.494 234 G N 1.802 110.567 108.800 -0.058 0.000 2.246 234 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.273 234 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.273 234 G C 0.385 175.249 174.900 -0.060 0.000 1.055 234 G CA 0.146 45.231 45.100 -0.024 0.000 0.851 234 G HN 0.451 nan 8.290 nan 0.000 0.500 235 K N -0.561 119.796 120.400 -0.072 0.000 2.536 235 K HA 0.310 4.630 4.320 -0.000 0.000 0.203 235 K C 2.022 178.588 176.600 -0.057 0.000 1.063 235 K CA -0.470 55.768 56.287 -0.081 0.000 1.063 235 K CB 0.332 32.757 32.500 -0.126 0.000 0.843 235 K HN 0.410 nan 8.250 nan 0.000 0.521 236 L N 1.650 122.867 121.223 -0.010 0.000 1.956 236 L HA -0.235 4.105 4.340 -0.000 0.000 0.216 236 L C 1.853 178.754 176.870 0.051 0.000 1.073 236 L CA 1.915 56.781 54.840 0.042 0.000 0.762 236 L CB -0.016 42.087 42.059 0.073 0.000 0.889 236 L HN 0.271 nan 8.230 nan 0.000 0.433 237 E N -0.458 119.767 120.200 0.042 0.000 2.209 237 E HA -0.303 4.047 4.350 -0.000 0.000 0.196 237 E C 1.852 178.461 176.600 0.015 0.000 0.993 237 E CA 1.340 57.767 56.400 0.045 0.000 0.819 237 E CB -0.170 29.551 29.700 0.034 0.000 0.745 237 E HN 0.630 nan 8.360 nan 0.000 0.477 238 E N 0.820 121.006 120.200 -0.022 0.000 2.285 238 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 238 E C 1.851 178.396 176.600 -0.092 0.000 0.997 238 E CA 0.402 56.773 56.400 -0.048 0.000 0.845 238 E CB 0.440 30.104 29.700 -0.059 0.000 0.782 238 E HN 0.022 nan 8.360 nan 0.000 0.491 239 V N 0.206 120.026 119.914 -0.157 0.000 2.685 239 V HA 0.091 4.211 4.120 -0.000 0.000 0.244 239 V C 0.529 176.375 176.094 -0.413 0.000 1.054 239 V CA 0.738 62.835 62.300 -0.337 0.000 1.076 239 V CB 0.001 31.510 31.823 -0.524 0.000 0.725 239 V HN 0.091 nan 8.190 nan 0.000 0.467 240 F N 0.561 120.502 119.950 -0.014 0.000 2.469 240 F HA 0.498 5.025 4.527 -0.000 0.000 0.332 240 F C 0.865 176.662 175.800 -0.006 0.000 1.103 240 F CA -0.752 57.240 58.000 -0.013 0.000 0.979 240 F CB 1.672 40.663 39.000 -0.014 0.000 1.137 240 F HN -0.022 nan 8.300 nan 0.000 0.463 241 S N 0.943 116.767 115.700 0.208 0.000 2.608 241 S HA 0.063 4.533 4.470 -0.000 0.000 0.261 241 S C 1.118 175.778 174.600 0.100 0.000 1.314 241 S CA -0.384 57.883 58.200 0.112 0.000 0.992 241 S CB 1.203 64.452 63.200 0.082 0.000 0.935 241 S HN 0.882 nan 8.310 nan 0.000 0.564 242 E N 0.801 121.040 120.200 0.066 0.000 2.110 242 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 242 E C 1.915 178.539 176.600 0.039 0.000 0.988 242 E CA 1.371 57.802 56.400 0.052 0.000 0.804 242 E CB -0.194 29.529 29.700 0.039 0.000 0.745 242 E HN 0.768 nan 8.360 nan 0.000 0.458 243 K N 0.440 120.862 120.400 0.036 0.000 2.097 243 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 243 K C 1.972 178.579 176.600 0.012 0.000 1.050 243 K CA 1.634 57.935 56.287 0.024 0.000 0.938 243 K CB 0.085 32.599 32.500 0.024 0.000 0.718 243 K HN 0.153 nan 8.250 nan 0.000 0.442 244 E N 0.439 120.653 120.200 0.023 0.000 2.047 244 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 244 E C 2.022 178.560 176.600 -0.104 0.000 0.987 244 E CA 1.235 57.619 56.400 -0.027 0.000 0.799 244 E CB -0.056 29.683 29.700 0.065 0.000 0.752 244 E HN 0.270 nan 8.360 nan 0.000 0.449 245 L N 0.989 122.189 121.223 -0.038 0.000 2.131 245 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 245 L C 1.946 178.801 176.870 -0.025 0.000 1.092 245 L CA 1.173 55.985 54.840 -0.046 0.000 0.759 245 L CB -0.465 41.615 42.059 0.036 0.000 0.903 245 L HN 0.188 nan 8.230 nan 0.000 0.435 246 N N -0.425 118.273 118.700 -0.003 0.000 2.188 246 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 246 N C 1.912 177.426 175.510 0.007 0.000 1.018 246 N CA 0.727 53.783 53.050 0.010 0.000 0.858 246 N CB 0.010 38.504 38.487 0.012 0.000 0.989 246 N HN 0.285 nan 8.380 nan 0.000 0.426 247 R N 0.658 121.150 120.500 -0.015 0.000 2.075 247 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 247 R C 2.092 178.394 176.300 0.004 0.000 1.126 247 R CA 0.848 56.944 56.100 -0.007 0.000 0.963 247 R CB -0.254 30.027 30.300 -0.032 0.000 0.858 247 R HN 0.263 nan 8.270 nan 0.000 0.435 248 I N 1.117 121.645 120.570 -0.070 0.000 2.226 248 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 248 I C 2.111 178.275 176.117 0.078 0.000 1.100 248 I CA 1.435 62.695 61.300 -0.067 0.000 1.374 248 I CB -0.227 37.632 38.000 -0.236 0.000 1.057 248 I HN 0.117 nan 8.210 nan 0.000 0.413 249 K N 0.388 120.821 120.400 0.055 0.000 2.063 249 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 249 K C 2.247 178.916 176.600 0.115 0.000 1.048 249 K CA 1.502 57.846 56.287 0.096 0.000 0.928 249 K CB -0.233 32.315 32.500 0.079 0.000 0.713 249 K HN 0.070 nan 8.250 nan 0.000 0.442 250 R N 0.529 121.086 120.500 0.095 0.000 2.073 250 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 250 R C 1.856 178.217 176.300 0.102 0.000 1.134 250 R CA 1.713 57.860 56.100 0.078 0.000 0.952 250 R CB -0.827 29.510 30.300 0.060 0.000 0.850 250 R HN 0.398 nan 8.270 nan 0.000 0.433 251 W N -0.137 121.149 121.300 -0.023 0.000 2.358 251 W HA -0.223 4.437 4.660 -0.000 0.000 0.303 251 W C 2.017 178.544 176.519 0.013 0.000 1.208 251 W CA 1.737 59.067 57.345 -0.025 0.000 1.274 251 W CB -0.522 28.898 29.460 -0.066 0.000 1.138 251 W HN 0.165 nan 8.180 nan 0.000 0.515 252 C N -0.249 119.246 119.300 0.324 0.000 2.462 252 C HA -0.188 4.272 4.460 -0.000 0.000 0.278 252 C C 2.669 177.711 174.990 0.086 0.000 1.253 252 C CA 1.186 60.342 59.018 0.229 0.000 1.713 252 C CB -1.516 26.394 27.740 0.283 0.000 2.049 252 C HN 0.443 nan 8.230 nan 0.000 0.477 253 I N 0.535 121.165 120.570 0.100 0.000 2.756 253 I HA -0.153 4.017 4.170 -0.000 0.000 0.262 253 I C 2.017 178.117 176.117 -0.027 0.000 1.225 253 I CA 1.144 62.500 61.300 0.092 0.000 1.472 253 I CB -0.074 37.982 38.000 0.094 0.000 1.094 253 I HN 0.279 nan 8.210 nan 0.000 0.454 254 M N -0.227 119.303 119.600 -0.117 0.000 2.619 254 M HA -0.015 4.465 4.480 -0.000 0.000 0.251 254 M C 1.655 177.801 176.300 -0.257 0.000 1.106 254 M CA 0.838 56.024 55.300 -0.190 0.000 1.086 254 M CB -0.815 31.653 32.600 -0.220 0.000 1.465 254 M HN 0.164 nan 8.290 nan 0.000 0.506 255 R N 0.274 120.628 120.500 -0.244 0.000 2.276 255 R HA 0.045 4.385 4.340 -0.000 0.000 0.203 255 R C 0.856 176.878 176.300 -0.462 0.000 1.017 255 R CA 0.171 56.133 56.100 -0.230 0.000 1.010 255 R CB -0.551 29.736 30.300 -0.020 0.000 0.900 255 R HN 0.534 nan 8.270 nan 0.000 0.469 256 Q N 1.104 120.610 119.800 -0.490 0.000 2.295 256 Q HA 0.008 4.348 4.340 -0.000 0.000 0.259 256 Q C 0.201 175.846 176.000 -0.593 0.000 0.976 256 Q CA -0.015 55.273 55.803 -0.858 0.000 0.923 256 Q CB 0.922 29.130 28.738 -0.884 0.000 1.185 256 Q HN -0.033 nan 8.270 nan 0.000 0.410 257 Q N 2.672 122.116 119.800 -0.592 0.000 2.471 257 Q HA 0.109 4.449 4.340 -0.000 0.000 0.241 257 Q C 0.233 176.050 176.000 -0.305 0.000 0.886 257 Q CA 1.442 56.997 55.803 -0.412 0.000 0.953 257 Q CB 0.594 29.081 28.738 -0.420 0.000 1.108 257 Q HN 0.878 nan 8.270 nan 0.000 0.575 258 N N -1.197 117.302 118.700 -0.335 0.000 2.529 258 N HA 0.054 4.794 4.740 -0.000 0.000 0.328 258 N C 0.809 176.190 175.510 -0.216 0.000 0.606 258 N CA 0.386 53.321 53.050 -0.192 0.000 1.182 258 N CB -0.225 38.208 38.487 -0.090 0.000 1.946 258 N HN 0.089 nan 8.380 nan 0.000 1.584 259 G N -0.963 107.647 108.800 -0.317 0.000 2.641 259 G HA2 0.560 4.520 3.960 -0.000 0.000 0.239 259 G HA3 0.560 4.520 3.960 -0.000 0.000 0.239 259 G C -1.437 173.258 174.900 -0.341 0.000 1.402 259 G CA -0.305 44.659 45.100 -0.227 0.000 1.046 259 G HN 0.138 nan 8.290 nan 0.000 0.565 260 Y N -0.575 119.655 120.300 -0.116 0.000 2.446 260 Y HA 0.440 4.990 4.550 -0.000 0.000 0.345 260 Y C 0.638 176.539 175.900 0.001 0.000 0.984 260 Y CA -0.843 57.215 58.100 -0.070 0.000 1.058 260 Y CB 1.748 40.254 38.460 0.077 0.000 1.220 260 Y HN 0.708 nan 8.280 nan 0.000 0.455 261 H N -1.413 117.632 119.070 -0.042 0.000 2.595 261 H HA 0.622 5.178 4.556 -0.000 0.000 0.346 261 H C 0.419 175.407 175.328 -0.568 0.000 1.181 261 H CA -0.916 54.996 56.048 -0.226 0.000 1.242 261 H CB 1.999 31.642 29.762 -0.199 0.000 1.652 261 H HN 0.823 nan 8.280 nan 0.000 0.548 262 G N 0.219 108.445 108.800 -0.956 0.000 2.838 262 G HA2 0.128 4.088 3.960 -0.000 0.000 0.210 262 G HA3 0.128 4.088 3.960 -0.000 0.000 0.210 262 G C 0.374 174.848 174.900 -0.710 0.000 1.153 262 G CA -0.237 44.099 45.100 -1.274 0.000 0.778 262 G HN 0.546 nan 8.290 nan 0.000 0.539 263 R N -0.677 119.406 120.500 -0.696 0.000 2.643 263 R HA 0.318 4.658 4.340 -0.000 0.000 0.269 263 R C -3.126 172.653 176.300 -0.868 0.000 1.037 263 R CA -1.827 53.973 56.100 -0.501 0.000 0.894 263 R CB 1.968 32.130 30.300 -0.230 0.000 1.238 263 R HN -0.145 nan 8.270 nan 0.000 0.459 264 P HA -0.060 nan 4.420 nan 0.000 0.265 264 P C -0.529 176.601 177.300 -0.283 0.000 1.187 264 P CA 0.413 63.285 63.100 -0.379 0.000 0.766 264 P CB 0.338 31.952 31.700 -0.143 0.000 0.820 265 N N -0.726 117.892 118.700 -0.137 0.000 2.741 265 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 265 N C -0.332 175.136 175.510 -0.069 0.000 1.112 265 N CA 1.292 54.309 53.050 -0.055 0.000 0.750 265 N CB -0.776 37.688 38.487 -0.037 0.000 1.119 265 N HN 0.488 nan 8.380 nan 0.000 0.561 266 K N 0.614 120.924 120.400 -0.150 0.000 2.203 266 K HA 0.470 4.790 4.320 -0.000 0.000 0.251 266 K C -2.189 174.454 176.600 0.072 0.000 0.944 266 K CA -1.481 54.763 56.287 -0.071 0.000 0.829 266 K CB 1.777 34.176 32.500 -0.168 0.000 1.125 266 K HN -0.078 nan 8.250 nan 0.000 0.430 267 P HA -0.001 nan 4.420 nan 0.000 0.271 267 P C 0.213 177.627 177.300 0.191 0.000 1.218 267 P CA -0.418 62.733 63.100 0.086 0.000 0.780 267 P CB 0.481 32.175 31.700 -0.010 0.000 0.901 268 V N -0.872 119.086 119.914 0.073 0.000 3.139 268 V HA 0.328 4.448 4.120 -0.000 0.000 0.307 268 V C 0.100 176.398 176.094 0.340 0.000 1.095 268 V CA 0.104 62.428 62.300 0.040 0.000 1.160 268 V CB 0.343 31.923 31.823 -0.406 0.000 1.003 268 V HN 0.619 nan 8.190 nan 0.000 0.489 269 D N 1.384 122.027 120.400 0.405 0.000 2.890 269 D HA 0.296 4.936 4.640 -0.000 0.000 0.233 269 D C 0.797 177.428 176.300 0.552 0.000 1.306 269 D CA -0.022 54.316 54.000 0.564 0.000 0.929 269 D CB 2.231 43.419 40.800 0.647 0.000 1.512 269 D HN 0.668 nan 8.370 nan 0.000 0.568 270 T N 1.886 116.797 114.554 0.596 0.000 2.649 270 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 270 T C 2.031 176.870 174.700 0.231 0.000 1.036 270 T CA 2.367 64.747 62.100 0.467 0.000 1.157 270 T CB -0.612 68.462 68.868 0.343 0.000 0.861 270 T HN 0.786 nan 8.240 nan 0.000 0.445 271 C N 0.287 119.686 119.300 0.165 0.000 2.409 271 C HA -0.051 4.409 4.460 -0.000 0.000 0.284 271 C C 2.196 176.924 174.990 -0.437 0.000 1.354 271 C CA -0.185 58.682 59.018 -0.252 0.000 1.787 271 C CB -2.122 25.354 27.740 -0.439 0.000 1.900 271 C HN 0.511 nan 8.230 nan 0.000 0.520 272 Y N 1.787 122.176 120.300 0.148 0.000 2.571 272 Y HA 0.019 4.569 4.550 -0.000 0.000 0.294 272 Y C 2.822 178.679 175.900 -0.072 0.000 1.141 272 Y CA 1.334 59.529 58.100 0.158 0.000 1.308 272 Y CB -0.546 38.060 38.460 0.243 0.000 1.002 272 Y HN 0.331 nan 8.280 nan 0.000 0.551 273 S N -0.409 115.302 115.700 0.018 0.000 2.442 273 S HA -0.162 4.308 4.470 -0.000 0.000 0.236 273 S C 1.642 176.040 174.600 -0.337 0.000 1.007 273 S CA 1.158 59.273 58.200 -0.143 0.000 0.965 273 S CB -0.357 62.860 63.200 0.028 0.000 0.773 273 S HN 0.549 nan 8.310 nan 0.000 0.504 274 F N 0.089 119.749 119.950 -0.483 0.000 2.315 274 F HA 0.202 4.729 4.527 -0.000 0.000 0.284 274 F C 1.597 177.049 175.800 -0.580 0.000 1.049 274 F CA 0.069 57.709 58.000 -0.600 0.000 1.323 274 F CB -0.703 37.878 39.000 -0.699 0.000 1.113 274 F HN 0.159 nan 8.300 nan 0.000 0.544 275 W N 0.510 121.422 121.300 -0.646 0.000 2.301 275 W HA -0.262 4.398 4.660 -0.000 0.000 0.325 275 W C 2.358 178.661 176.519 -0.360 0.000 1.250 275 W CA 1.668 58.624 57.345 -0.650 0.000 1.261 275 W CB -1.003 28.239 29.460 -0.362 0.000 1.157 275 W HN -0.152 nan 8.180 nan 0.000 0.473 276 V N 0.296 120.228 119.914 0.031 0.000 2.346 276 V HA -0.106 4.014 4.120 -0.000 0.000 0.244 276 V C 2.399 178.342 176.094 -0.253 0.000 1.037 276 V CA 1.951 64.245 62.300 -0.010 0.000 1.029 276 V CB -1.594 30.262 31.823 0.056 0.000 0.663 276 V HN 0.392 nan 8.190 nan 0.000 0.454 277 G N 0.085 108.544 108.800 -0.570 0.000 2.469 277 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 277 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 277 G C 1.733 176.216 174.900 -0.695 0.000 1.150 277 G CA 1.228 45.918 45.100 -0.683 0.000 0.763 277 G HN 0.608 nan 8.290 nan 0.000 0.561 278 A N -0.078 122.311 122.820 -0.718 0.000 1.969 278 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 278 A C 2.519 179.986 177.584 -0.196 0.000 1.169 278 A CA 2.315 54.007 52.037 -0.574 0.000 0.635 278 A CB -0.706 17.681 19.000 -1.022 0.000 0.810 278 A HN 0.304 nan 8.150 nan 0.000 0.445 279 T N 0.441 114.953 114.554 -0.069 0.000 2.777 279 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 279 T C 1.786 176.505 174.700 0.032 0.000 1.040 279 T CA 1.354 63.479 62.100 0.041 0.000 1.141 279 T CB -0.345 68.595 68.868 0.119 0.000 0.868 279 T HN 0.366 nan 8.240 nan 0.000 0.444 280 L N 0.493 121.741 121.223 0.042 0.000 2.083 280 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 280 L C 2.612 179.563 176.870 0.136 0.000 1.083 280 L CA 1.135 56.062 54.840 0.146 0.000 0.752 280 L CB -0.359 41.879 42.059 0.299 0.000 0.899 280 L HN 0.155 nan 8.230 nan 0.000 0.433 281 K N 0.651 121.059 120.400 0.014 0.000 2.057 281 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 281 K C 1.984 178.588 176.600 0.007 0.000 1.050 281 K CA 1.332 57.620 56.287 0.001 0.000 0.935 281 K CB -0.225 32.166 32.500 -0.180 0.000 0.715 281 K HN 0.145 nan 8.250 nan 0.000 0.439 282 L N 0.308 121.523 121.223 -0.012 0.000 2.131 282 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 282 L C 1.681 178.571 176.870 0.032 0.000 1.092 282 L CA 0.845 55.686 54.840 0.002 0.000 0.759 282 L CB -0.249 41.807 42.059 -0.005 0.000 0.903 282 L HN 0.178 nan 8.230 nan 0.000 0.435 283 L N -0.438 120.818 121.223 0.054 0.000 2.627 283 L HA 0.028 4.368 4.340 -0.000 0.000 0.232 283 L C 0.585 177.509 176.870 0.089 0.000 1.150 283 L CA 0.054 54.937 54.840 0.073 0.000 0.917 283 L CB -0.297 41.812 42.059 0.082 0.000 1.104 283 L HN 0.202 nan 8.230 nan 0.000 0.445 284 K N 0.645 121.093 120.400 0.080 0.000 3.069 284 K HA -0.205 4.114 4.320 -0.000 0.000 0.267 284 K C 0.653 177.305 176.600 0.086 0.000 1.082 284 K CA 1.035 57.366 56.287 0.073 0.000 0.782 284 K CB -1.525 31.012 32.500 0.063 0.000 1.230 284 K HN 0.624 nan 8.250 nan 0.000 0.488 285 I N -4.759 115.891 120.570 0.134 0.000 4.160 285 I HA 0.163 4.333 4.170 -0.000 0.000 0.325 285 I C 1.243 177.452 176.117 0.154 0.000 1.455 285 I CA -0.653 60.752 61.300 0.175 0.000 1.142 285 I CB 0.086 38.282 38.000 0.328 0.000 1.262 285 I HN -0.012 nan 8.210 nan 0.000 0.483 286 F N 3.476 123.445 119.950 0.031 0.000 2.269 286 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 286 F C 2.532 178.421 175.800 0.149 0.000 1.082 286 F CA 2.354 60.407 58.000 0.088 0.000 1.360 286 F CB -0.087 38.936 39.000 0.039 0.000 1.041 286 F HN 0.376 nan 8.300 nan 0.000 0.512 287 Q N -1.312 118.421 119.800 -0.111 0.000 2.297 287 Q HA -0.250 4.090 4.340 -0.000 0.000 0.208 287 Q C 1.176 176.914 176.000 -0.437 0.000 0.981 287 Q CA 1.945 57.550 55.803 -0.329 0.000 0.876 287 Q CB -1.080 27.357 28.738 -0.503 0.000 0.921 287 Q HN 0.616 nan 8.270 nan 0.000 0.446 288 Y N 2.164 122.412 120.300 -0.086 0.000 2.466 288 Y HA 0.118 4.668 4.550 -0.000 0.000 0.272 288 Y C 1.196 177.037 175.900 -0.099 0.000 1.169 288 Y CA -0.088 57.955 58.100 -0.095 0.000 1.285 288 Y CB 0.450 38.886 38.460 -0.041 0.000 1.078 288 Y HN 0.172 nan 8.280 nan 0.000 0.523 289 T N -1.809 112.733 114.554 -0.020 0.000 2.788 289 T HA 0.068 4.418 4.350 -0.000 0.000 0.280 289 T C 0.062 174.768 174.700 0.010 0.000 0.984 289 T CA -0.951 61.147 62.100 -0.004 0.000 0.972 289 T CB 1.133 69.974 68.868 -0.045 0.000 1.039 289 T HN 0.082 nan 8.240 nan 0.000 0.530 290 N N 0.429 119.154 118.700 0.042 0.000 2.437 290 N HA 0.175 4.914 4.740 -0.000 0.000 0.243 290 N C 0.328 175.965 175.510 0.212 0.000 1.041 290 N CA -0.536 52.550 53.050 0.060 0.000 0.940 290 N CB -0.016 38.472 38.487 0.000 0.000 1.133 290 N HN 0.708 nan 8.380 nan 0.000 0.506 291 F N 1.503 121.399 119.950 -0.090 0.000 2.113 291 F HA -0.124 4.403 4.527 -0.000 0.000 0.297 291 F C 1.985 177.792 175.800 0.012 0.000 1.103 291 F CA 0.391 58.365 58.000 -0.042 0.000 1.248 291 F CB 0.362 39.332 39.000 -0.050 0.000 0.999 291 F HN 0.429 nan 8.300 nan 0.000 0.475 292 E N 0.979 121.305 120.200 0.209 0.000 2.058 292 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 292 E C 1.897 178.559 176.600 0.103 0.000 0.997 292 E CA 1.285 57.761 56.400 0.128 0.000 0.801 292 E CB -0.520 29.230 29.700 0.084 0.000 0.746 292 E HN 0.421 nan 8.360 nan 0.000 0.450 293 K N 0.602 121.052 120.400 0.083 0.000 2.148 293 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 293 K C 2.016 178.683 176.600 0.111 0.000 1.050 293 K CA 1.094 57.423 56.287 0.071 0.000 0.942 293 K CB -0.107 32.403 32.500 0.016 0.000 0.724 293 K HN -0.019 nan 8.250 nan 0.000 0.446 294 N N 1.551 120.324 118.700 0.122 0.000 2.080 294 N HA -0.171 4.569 4.740 -0.000 0.000 0.189 294 N C 1.729 177.349 175.510 0.184 0.000 1.036 294 N CA 1.370 54.533 53.050 0.188 0.000 0.846 294 N CB -0.022 38.616 38.487 0.252 0.000 1.015 294 N HN 0.036 nan 8.380 nan 0.000 0.423 295 R N 0.015 120.585 120.500 0.117 0.000 2.091 295 R HA -0.053 4.287 4.340 -0.000 0.000 0.238 295 R C 1.443 177.803 176.300 0.100 0.000 1.136 295 R CA 1.625 57.771 56.100 0.076 0.000 0.959 295 R CB -0.217 30.116 30.300 0.056 0.000 0.856 295 R HN 0.278 nan 8.270 nan 0.000 0.437 296 N N -0.243 118.525 118.700 0.113 0.000 2.120 296 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 296 N C 1.392 176.967 175.510 0.107 0.000 1.024 296 N CA 1.309 54.422 53.050 0.104 0.000 0.852 296 N CB -0.552 37.992 38.487 0.095 0.000 1.003 296 N HN 0.325 nan 8.380 nan 0.000 0.424 297 Y N 1.567 121.915 120.300 0.079 0.000 2.163 297 Y HA -0.038 4.512 4.550 -0.000 0.000 0.288 297 Y C 2.130 178.109 175.900 0.132 0.000 1.136 297 Y CA 1.271 59.429 58.100 0.097 0.000 1.147 297 Y CB -0.433 38.081 38.460 0.089 0.000 0.987 297 Y HN -0.039 nan 8.280 nan 0.000 0.509 298 I N -0.017 120.586 120.570 0.055 0.000 2.151 298 I HA -0.380 3.789 4.170 -0.000 0.000 0.243 298 I C 2.356 178.530 176.117 0.096 0.000 1.080 298 I CA 1.700 63.001 61.300 0.002 0.000 1.339 298 I CB -0.634 37.346 38.000 -0.034 0.000 1.039 298 I HN 0.275 nan 8.210 nan 0.000 0.409 299 L N 0.574 121.882 121.223 0.142 0.000 2.131 299 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 299 L C 2.728 179.655 176.870 0.095 0.000 1.092 299 L CA 1.539 56.520 54.840 0.235 0.000 0.759 299 L CB -0.678 41.490 42.059 0.181 0.000 0.903 299 L HN 0.401 nan 8.230 nan 0.000 0.435 300 S N -1.353 114.328 115.700 -0.033 0.000 2.507 300 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 300 S C 1.680 176.223 174.600 -0.095 0.000 0.988 300 S CA 1.173 59.325 58.200 -0.081 0.000 0.944 300 S CB -0.645 62.481 63.200 -0.124 0.000 0.762 300 S HN 0.571 nan 8.310 nan 0.000 0.526 301 T N -1.784 112.723 114.554 -0.078 0.000 3.105 301 T HA 0.252 4.602 4.350 -0.000 0.000 0.253 301 T C 0.306 175.020 174.700 0.024 0.000 1.047 301 T CA -0.527 61.570 62.100 -0.005 0.000 0.944 301 T CB -0.225 68.653 68.868 0.015 0.000 1.016 301 T HN 0.496 nan 8.240 nan 0.000 0.544 302 Q N 1.769 121.532 119.800 -0.061 0.000 2.304 302 Q HA 0.101 4.441 4.340 -0.000 0.000 0.260 302 Q C -0.822 175.006 176.000 -0.287 0.000 0.965 302 Q CA -0.367 55.172 55.803 -0.441 0.000 0.898 302 Q CB 0.566 29.078 28.738 -0.376 0.000 1.196 302 Q HN 0.280 nan 8.270 nan 0.000 0.402 303 D N 4.170 124.370 120.400 -0.333 0.000 2.411 303 D HA 0.071 4.711 4.640 -0.000 0.000 0.225 303 D C 0.354 176.512 176.300 -0.237 0.000 1.156 303 D CA -0.031 53.846 54.000 -0.204 0.000 0.874 303 D CB 0.594 41.301 40.800 -0.155 0.000 1.034 303 D HN 0.624 nan 8.370 nan 0.000 0.502 304 R N 2.582 122.971 120.500 -0.186 0.000 2.285 304 R HA -0.056 4.283 4.340 -0.000 0.000 0.213 304 R C 1.565 177.764 176.300 -0.168 0.000 1.068 304 R CA 0.188 56.172 56.100 -0.192 0.000 1.004 304 R CB 0.398 30.619 30.300 -0.132 0.000 0.873 304 R HN 0.457 nan 8.270 nan 0.000 0.467 305 L N 0.267 121.412 121.223 -0.130 0.000 2.187 305 L HA 0.004 4.344 4.340 -0.000 0.000 0.197 305 L C 2.072 178.883 176.870 -0.098 0.000 1.090 305 L CA 1.401 56.181 54.840 -0.100 0.000 0.781 305 L CB -0.511 41.508 42.059 -0.067 0.000 0.956 305 L HN 0.078 nan 8.230 nan 0.000 0.463 306 V N -0.780 119.090 119.914 -0.074 0.000 3.354 306 V HA 0.420 4.540 4.120 -0.000 0.000 0.258 306 V C 0.874 176.988 176.094 0.032 0.000 1.159 306 V CA 0.739 63.033 62.300 -0.010 0.000 1.125 306 V CB -0.280 31.570 31.823 0.045 0.000 0.774 306 V HN 0.662 nan 8.190 nan 0.000 0.464 307 G N -0.851 107.863 108.800 -0.144 0.000 2.710 307 G HA2 0.407 4.367 3.960 -0.000 0.000 0.668 307 G HA3 0.407 4.367 3.960 -0.000 0.000 0.668 307 G C 0.554 175.117 174.900 -0.562 0.000 1.320 307 G CA -0.302 44.612 45.100 -0.310 0.000 0.860 307 G HN 2.419 nan 8.290 nan 0.000 0.538 308 G N -1.932 106.471 108.800 -0.661 0.000 2.828 308 G HA2 0.376 4.336 3.960 -0.000 0.000 0.463 308 G HA3 0.376 4.336 3.960 -0.000 0.000 0.463 308 G C -0.421 173.996 174.900 -0.806 0.000 1.394 308 G CA 0.305 44.661 45.100 -1.241 0.000 0.862 308 G HN 1.825 nan 8.290 nan 0.000 0.540 309 F N -0.081 119.613 119.950 -0.427 0.000 2.611 309 F HA 0.846 5.373 4.527 -0.000 0.000 0.324 309 F C 0.816 176.561 175.800 -0.093 0.000 1.061 309 F CA 0.044 57.933 58.000 -0.184 0.000 0.954 309 F CB 2.098 41.017 39.000 -0.135 0.000 1.301 309 F HN 1.033 nan 8.300 nan 0.000 0.482 310 A N 0.902 123.790 122.820 0.114 0.000 2.344 310 A HA 0.551 4.871 4.320 -0.000 0.000 0.307 310 A C 0.721 178.188 177.584 -0.194 0.000 1.151 310 A CA -0.586 51.419 52.037 -0.053 0.000 0.842 310 A CB 1.404 20.392 19.000 -0.020 0.000 1.350 310 A HN 0.887 nan 8.150 nan 0.000 0.459 311 K N -0.930 119.087 120.400 -0.639 0.000 2.103 311 K HA -0.013 4.307 4.320 -0.000 0.000 0.204 311 K C -0.406 176.166 176.600 -0.046 0.000 1.052 311 K CA 0.712 56.658 56.287 -0.568 0.000 0.945 311 K CB 0.009 31.936 32.500 -0.956 0.000 0.722 311 K HN 0.563 nan 8.250 nan 0.000 0.443 312 W N 1.591 122.922 121.300 0.052 0.000 2.882 312 W HA 0.414 5.074 4.660 -0.000 0.000 0.345 312 W C -2.609 173.929 176.519 0.031 0.000 1.125 312 W CA -3.170 54.250 57.345 0.125 0.000 1.167 312 W CB 0.326 29.855 29.460 0.115 0.000 1.431 312 W HN -0.183 nan 8.180 nan 0.000 0.543 313 P HA -0.009 nan 4.420 nan 0.000 0.272 313 P C -0.178 177.196 177.300 0.123 0.000 1.223 313 P CA 0.474 63.635 63.100 0.101 0.000 0.784 313 P CB 0.759 32.485 31.700 0.043 0.000 0.923 314 D N -2.037 118.410 120.400 0.079 0.000 2.723 314 D HA -0.139 4.501 4.640 -0.000 0.000 0.236 314 D C -0.093 176.266 176.300 0.099 0.000 1.138 314 D CA 1.220 55.268 54.000 0.080 0.000 0.676 314 D CB -1.701 39.137 40.800 0.064 0.000 1.069 314 D HN 0.358 nan 8.370 nan 0.000 0.430 315 S N -1.607 114.160 115.700 0.112 0.000 2.599 315 S HA 0.438 4.908 4.470 -0.000 0.000 0.287 315 S C -0.585 174.097 174.600 0.137 0.000 1.105 315 S CA -0.658 57.589 58.200 0.079 0.000 0.899 315 S CB 1.275 64.545 63.200 0.117 0.000 1.100 315 S HN 0.228 nan 8.310 nan 0.000 0.482 316 H N 2.453 121.552 119.070 0.049 0.000 2.683 316 H HA 0.294 4.850 4.556 -0.000 0.000 0.339 316 H C -1.943 173.418 175.328 0.054 0.000 1.081 316 H CA -1.602 54.482 56.048 0.059 0.000 1.432 316 H CB 0.659 30.473 29.762 0.088 0.000 1.462 316 H HN 0.436 nan 8.280 nan 0.000 0.557 317 P HA 0.054 nan 4.420 nan 0.000 0.277 317 P C -1.053 176.411 177.300 0.272 0.000 1.240 317 P CA -0.351 62.819 63.100 0.117 0.000 0.798 317 P CB 1.441 33.108 31.700 -0.053 0.000 0.979 318 D N -1.004 119.567 120.400 0.285 0.000 2.596 318 D HA 0.461 5.101 4.640 -0.000 0.000 0.262 318 D C 0.854 177.391 176.300 0.394 0.000 1.210 318 D CA -0.995 53.244 54.000 0.399 0.000 0.873 318 D CB 0.389 41.400 40.800 0.352 0.000 1.408 318 D HN 0.166 nan 8.370 nan 0.000 0.441 319 A N 0.211 123.280 122.820 0.415 0.000 1.940 319 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 319 A C 1.969 179.553 177.584 -0.001 0.000 1.176 319 A CA 1.509 53.795 52.037 0.415 0.000 0.631 319 A CB -0.976 18.287 19.000 0.439 0.000 0.814 319 A HN 0.634 nan 8.150 nan 0.000 0.446 320 L N -1.435 119.644 121.223 -0.240 0.000 1.994 320 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 320 L C 2.474 179.068 176.870 -0.460 0.000 1.071 320 L CA 2.219 56.560 54.840 -0.832 0.000 0.745 320 L CB -0.376 41.450 42.059 -0.388 0.000 0.892 320 L HN 0.543 nan 8.230 nan 0.000 0.431 321 H N -0.659 118.374 119.070 -0.061 0.000 2.462 321 H HA 0.023 4.579 4.556 -0.000 0.000 0.292 321 H C 2.169 177.473 175.328 -0.041 0.000 1.049 321 H CA 1.066 57.106 56.048 -0.013 0.000 1.334 321 H CB -0.160 29.627 29.762 0.040 0.000 1.404 321 H HN 0.518 nan 8.280 nan 0.000 0.544 322 A N 0.405 123.272 122.820 0.079 0.000 1.877 322 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 322 A C 2.095 179.738 177.584 0.099 0.000 1.186 322 A CA 1.646 53.732 52.037 0.080 0.000 0.620 322 A CB -0.954 17.925 19.000 -0.200 0.000 0.822 322 A HN 0.524 nan 8.150 nan 0.000 0.443 323 Y N -0.579 119.655 120.300 -0.110 0.000 2.133 323 Y HA -0.171 4.379 4.550 -0.000 0.000 0.287 323 Y C 1.971 177.497 175.900 -0.624 0.000 1.134 323 Y CA 1.758 59.620 58.100 -0.397 0.000 1.133 323 Y CB -0.630 37.367 38.460 -0.772 0.000 0.987 323 Y HN 0.279 nan 8.280 nan 0.000 0.502 324 F N -0.242 119.320 119.950 -0.647 0.000 2.293 324 F HA -0.030 4.497 4.527 -0.000 0.000 0.300 324 F C 2.547 177.961 175.800 -0.645 0.000 1.086 324 F CA 0.841 58.349 58.000 -0.820 0.000 1.375 324 F CB -0.683 37.852 39.000 -0.774 0.000 1.045 324 F HN 0.160 nan 8.300 nan 0.000 0.516 325 G N 0.380 108.918 108.800 -0.436 0.000 2.402 325 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 325 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 325 G C 1.690 176.126 174.900 -0.772 0.000 1.162 325 G CA 0.707 45.402 45.100 -0.675 0.000 0.777 325 G HN 0.327 nan 8.290 nan 0.000 0.539 326 I N 0.366 120.530 120.570 -0.678 0.000 2.252 326 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 326 I C 2.703 178.527 176.117 -0.488 0.000 1.102 326 I CA 0.573 61.576 61.300 -0.494 0.000 1.385 326 I CB -0.180 37.695 38.000 -0.207 0.000 1.064 326 I HN 0.187 nan 8.210 nan 0.000 0.414 327 C N 0.757 119.682 119.300 -0.625 0.000 2.422 327 C HA -0.076 4.383 4.460 -0.000 0.000 0.279 327 C C 2.920 177.733 174.990 -0.295 0.000 1.305 327 C CA 0.897 59.594 59.018 -0.536 0.000 1.757 327 C CB -1.747 25.458 27.740 -0.891 0.000 1.962 327 C HN 0.665 nan 8.230 nan 0.000 0.499 328 G N 0.412 109.031 108.800 -0.301 0.000 2.421 328 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 328 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 328 G C 1.402 176.141 174.900 -0.269 0.000 1.171 328 G CA 0.596 45.549 45.100 -0.245 0.000 0.775 328 G HN 0.344 nan 8.290 nan 0.000 0.543 329 L N 1.279 122.308 121.223 -0.323 0.000 2.083 329 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 329 L C 3.086 179.790 176.870 -0.277 0.000 1.083 329 L CA 1.881 56.531 54.840 -0.316 0.000 0.752 329 L CB -1.033 40.756 42.059 -0.449 0.000 0.899 329 L HN 0.345 nan 8.230 nan 0.000 0.433 330 S N -0.796 114.740 115.700 -0.275 0.000 2.370 330 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 330 S C 2.055 176.554 174.600 -0.169 0.000 1.033 330 S CA 0.936 59.014 58.200 -0.204 0.000 1.011 330 S CB -0.213 62.870 63.200 -0.195 0.000 0.852 330 S HN 0.249 nan 8.310 nan 0.000 0.457 331 L N 1.121 122.208 121.223 -0.227 0.000 2.129 331 L HA 0.047 4.387 4.340 -0.000 0.000 0.212 331 L C 2.115 178.911 176.870 -0.124 0.000 1.087 331 L CA 1.769 56.433 54.840 -0.293 0.000 0.757 331 L CB -0.866 40.786 42.059 -0.678 0.000 0.896 331 L HN 0.493 nan 8.230 nan 0.000 0.434 332 M N -1.303 118.198 119.600 -0.164 0.000 2.493 332 M HA 0.095 4.575 4.480 -0.000 0.000 0.244 332 M C -0.166 176.137 176.300 0.005 0.000 1.182 332 M CA 0.020 55.205 55.300 -0.191 0.000 0.981 332 M CB 0.095 32.373 32.600 -0.535 0.000 1.551 332 M HN 0.088 nan 8.290 nan 0.000 0.476 333 E N 1.320 121.507 120.200 -0.021 0.000 2.230 333 E HA -0.199 4.151 4.350 -0.000 0.000 0.206 333 E C -0.086 176.499 176.600 -0.025 0.000 1.309 333 E CA 0.237 56.633 56.400 -0.007 0.000 0.697 333 E CB -1.171 28.558 29.700 0.048 0.000 1.146 333 E HN 0.455 nan 8.360 nan 0.000 0.363 334 E N 1.032 121.174 120.200 -0.095 0.000 2.452 334 E HA 0.043 4.393 4.350 -0.000 0.000 0.261 334 E C -0.262 176.290 176.600 -0.080 0.000 0.987 334 E CA 0.198 56.518 56.400 -0.133 0.000 0.926 334 E CB 0.833 30.349 29.700 -0.307 0.000 0.934 334 E HN 0.185 nan 8.360 nan 0.000 0.452 335 S N 3.537 119.219 115.700 -0.030 0.000 2.466 335 S HA 0.385 4.855 4.470 -0.000 0.000 0.286 335 S C 0.837 175.467 174.600 0.051 0.000 1.221 335 S CA 0.715 58.927 58.200 0.021 0.000 1.091 335 S CB -0.722 62.507 63.200 0.047 0.000 0.956 335 S HN 0.972 nan 8.310 nan 0.000 0.501 336 G N 4.166 112.999 108.800 0.054 0.000 2.184 336 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.206 336 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.206 336 G C -0.086 174.873 174.900 0.098 0.000 0.995 336 G CA -0.074 45.090 45.100 0.106 0.000 0.651 336 G HN 0.707 nan 8.290 nan 0.000 0.511 337 I N 0.926 121.503 120.570 0.011 0.000 2.498 337 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 337 I C 0.879 176.980 176.117 -0.026 0.000 1.032 337 I CA -1.147 60.143 61.300 -0.017 0.000 1.073 337 I CB 1.868 39.786 38.000 -0.137 0.000 1.251 337 I HN 0.086 nan 8.210 nan 0.000 0.426 338 C N 4.063 123.356 119.300 -0.012 0.000 2.703 338 C HA 0.057 4.517 4.460 -0.000 0.000 0.411 338 C C 0.888 175.861 174.990 -0.029 0.000 1.290 338 C CA -0.314 58.698 59.018 -0.009 0.000 2.054 338 C CB -0.140 27.600 27.740 0.000 0.000 2.732 338 C HN 0.682 nan 8.230 nan 0.000 0.650 339 K N 1.380 121.773 120.400 -0.012 0.000 2.339 339 K HA 0.387 4.707 4.320 -0.000 0.000 0.286 339 K C -0.319 176.283 176.600 0.003 0.000 1.050 339 K CA -0.226 56.052 56.287 -0.016 0.000 0.956 339 K CB 0.639 33.140 32.500 0.001 0.000 0.990 339 K HN 0.571 nan 8.250 nan 0.000 0.475 340 V N 4.975 124.883 119.914 -0.010 0.000 2.732 340 V HA 0.051 4.171 4.120 -0.000 0.000 0.297 340 V C -0.304 175.860 176.094 0.117 0.000 1.060 340 V CA -0.443 61.885 62.300 0.046 0.000 1.038 340 V CB 1.101 32.928 31.823 0.006 0.000 1.003 340 V HN 0.831 nan 8.190 nan 0.000 0.481 341 H N 8.517 127.652 119.070 0.107 0.000 2.846 341 H HA 0.336 4.892 4.556 -0.000 0.000 0.278 341 H C -1.773 173.685 175.328 0.217 0.000 1.117 341 H CA -1.900 54.225 56.048 0.128 0.000 1.406 341 H CB 1.712 31.548 29.762 0.124 0.000 1.445 341 H HN 0.540 nan 8.280 nan 0.000 0.469 342 P HA -0.151 nan 4.420 nan 0.000 0.218 342 P C 0.853 178.400 177.300 0.411 0.000 1.146 342 P CA 1.540 64.761 63.100 0.203 0.000 0.813 342 P CB 0.370 32.051 31.700 -0.031 0.000 0.778 343 A N -1.068 122.007 122.820 0.425 0.000 1.973 343 A HA 0.089 4.409 4.320 -0.000 0.000 0.210 343 A C 2.047 179.961 177.584 0.549 0.000 1.200 343 A CA 0.353 52.643 52.037 0.421 0.000 0.707 343 A CB -1.111 18.042 19.000 0.254 0.000 0.862 343 A HN 0.116 nan 8.150 nan 0.000 0.461 344 L N -0.442 121.112 121.223 0.552 0.000 2.341 344 L HA 0.145 4.485 4.340 -0.000 0.000 0.214 344 L C 0.620 177.763 176.870 0.455 0.000 1.115 344 L CA 1.293 56.261 54.840 0.212 0.000 0.820 344 L CB -0.822 41.012 42.059 -0.374 0.000 0.944 344 L HN 0.586 nan 8.230 nan 0.000 0.452 345 N N -0.499 118.563 118.700 0.602 0.000 2.756 345 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 345 N C -0.844 174.946 175.510 0.466 0.000 1.062 345 N CA 0.926 54.323 53.050 0.579 0.000 0.696 345 N CB -1.243 37.707 38.487 0.772 0.000 0.946 345 N HN 0.249 nan 8.380 nan 0.000 0.548 346 V N -3.316 116.794 119.914 0.325 0.000 3.188 346 V HA 0.812 4.932 4.120 -0.000 0.000 0.305 346 V C 0.555 176.744 176.094 0.159 0.000 1.232 346 V CA -0.512 61.919 62.300 0.219 0.000 1.043 346 V CB 1.403 33.328 31.823 0.169 0.000 1.068 346 V HN 0.507 nan 8.190 nan 0.000 0.439 347 S N 0.136 115.888 115.700 0.087 0.000 2.568 347 S HA 0.140 4.609 4.470 -0.000 0.000 0.282 347 S C 1.397 176.059 174.600 0.103 0.000 1.338 347 S CA 0.486 58.726 58.200 0.067 0.000 1.045 347 S CB 0.897 64.113 63.200 0.026 0.000 0.873 347 S HN 1.978 nan 8.310 nan 0.000 0.516 348 T N 0.168 114.790 114.554 0.113 0.000 2.867 348 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 348 T C 1.808 176.561 174.700 0.089 0.000 1.057 348 T CA 1.028 63.215 62.100 0.145 0.000 1.136 348 T CB -0.562 68.380 68.868 0.124 0.000 0.874 348 T HN 0.865 nan 8.240 nan 0.000 0.466 349 R N 0.938 121.471 120.500 0.055 0.000 2.120 349 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 349 R C 2.116 178.428 176.300 0.020 0.000 1.123 349 R CA 1.841 57.961 56.100 0.033 0.000 0.975 349 R CB -1.338 28.976 30.300 0.022 0.000 0.866 349 R HN 0.316 nan 8.270 nan 0.000 0.446 350 T N 0.787 115.355 114.554 0.023 0.000 2.904 350 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 350 T C 1.952 176.647 174.700 -0.008 0.000 1.059 350 T CA 1.403 63.506 62.100 0.005 0.000 1.137 350 T CB -0.089 68.786 68.868 0.012 0.000 0.879 350 T HN 0.592 nan 8.240 nan 0.000 0.467 351 S N 1.446 117.156 115.700 0.017 0.000 2.428 351 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 351 S C 1.802 176.395 174.600 -0.012 0.000 1.014 351 S CA 0.735 58.931 58.200 -0.007 0.000 0.957 351 S CB -0.246 62.964 63.200 0.017 0.000 0.784 351 S HN 0.531 nan 8.310 nan 0.000 0.499 352 E N 1.144 121.349 120.200 0.008 0.000 2.046 352 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 352 E C 2.257 178.820 176.600 -0.061 0.000 0.982 352 E CA 0.944 57.339 56.400 -0.010 0.000 0.800 352 E CB -0.146 29.561 29.700 0.012 0.000 0.756 352 E HN 0.450 nan 8.360 nan 0.000 0.449 353 R N 1.345 121.810 120.500 -0.058 0.000 2.103 353 R HA -0.182 4.158 4.340 -0.000 0.000 0.242 353 R C 2.099 178.304 176.300 -0.158 0.000 1.142 353 R CA 1.243 57.294 56.100 -0.080 0.000 0.960 353 R CB -0.798 29.471 30.300 -0.051 0.000 0.858 353 R HN 0.220 nan 8.270 nan 0.000 0.439 354 L N 0.682 121.790 121.223 -0.190 0.000 2.056 354 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 354 L C 2.433 178.950 176.870 -0.588 0.000 1.078 354 L CA 1.939 56.560 54.840 -0.366 0.000 0.749 354 L CB -0.643 41.247 42.059 -0.281 0.000 0.901 354 L HN 0.276 nan 8.230 nan 0.000 0.433 355 R N -0.537 119.756 120.500 -0.344 0.000 2.105 355 R HA -0.181 4.159 4.340 -0.000 0.000 0.239 355 R C 1.810 177.953 176.300 -0.263 0.000 1.135 355 R CA 1.867 57.803 56.100 -0.273 0.000 0.967 355 R CB -0.280 29.969 30.300 -0.086 0.000 0.861 355 R HN 0.469 nan 8.270 nan 0.000 0.442 356 D N 0.572 120.837 120.400 -0.224 0.000 2.117 356 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 356 D C 2.009 178.147 176.300 -0.270 0.000 0.982 356 D CA 0.937 54.830 54.000 -0.179 0.000 0.828 356 D CB -0.241 40.489 40.800 -0.118 0.000 0.967 356 D HN 0.268 nan 8.370 nan 0.000 0.464 357 L N 0.309 121.289 121.223 -0.405 0.000 2.081 357 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 357 L C 2.386 178.646 176.870 -1.018 0.000 1.080 357 L CA 1.404 55.874 54.840 -0.616 0.000 0.754 357 L CB -0.504 41.170 42.059 -0.641 0.000 0.893 357 L HN 0.246 nan 8.230 nan 0.000 0.433 358 H N -1.256 117.294 119.070 -0.868 0.000 2.326 358 H HA -0.179 4.377 4.556 -0.000 0.000 0.301 358 H C 2.554 177.686 175.328 -0.327 0.000 1.081 358 H CA 1.064 56.693 56.048 -0.699 0.000 1.334 358 H CB 0.041 29.547 29.762 -0.428 0.000 1.385 358 H HN 0.446 nan 8.280 nan 0.000 0.504 359 Q N 1.152 120.889 119.800 -0.106 0.000 2.135 359 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 359 Q C 2.425 178.416 176.000 -0.016 0.000 0.981 359 Q CA 1.885 57.664 55.803 -0.040 0.000 0.856 359 Q CB -0.902 27.811 28.738 -0.042 0.000 0.902 359 Q HN 0.653 nan 8.270 nan 0.000 0.425 360 S N -1.190 114.477 115.700 -0.056 0.000 2.357 360 S HA -0.130 4.340 4.470 -0.000 0.000 0.221 360 S C 1.826 176.538 174.600 0.187 0.000 1.031 360 S CA 1.113 59.339 58.200 0.043 0.000 0.982 360 S CB -0.634 62.590 63.200 0.040 0.000 0.853 360 S HN 0.793 nan 8.310 nan 0.000 0.458 361 W N 2.796 124.121 121.300 0.042 0.000 2.350 361 W HA 0.182 4.842 4.660 -0.000 0.000 0.289 361 W C 1.694 178.222 176.519 0.015 0.000 1.215 361 W CA 0.516 57.878 57.345 0.027 0.000 1.236 361 W CB -1.293 28.184 29.460 0.028 0.000 1.130 361 W HN 0.517 nan 8.180 nan 0.000 0.541 362 K N 1.898 122.430 120.400 0.220 0.000 2.110 362 K HA 0.413 4.733 4.320 -0.000 0.000 0.260 362 K C 0.284 176.940 176.600 0.093 0.000 1.126 362 K CA 0.704 57.068 56.287 0.127 0.000 1.005 362 K CB -1.124 31.424 32.500 0.081 0.000 1.336 362 K HN 0.233 nan 8.250 nan 0.000 0.369 363 T N 0.000 114.607 114.554 0.089 0.000 3.816 363 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 363 T CA 0.000 62.138 62.100 0.064 0.000 1.349 363 T CB 0.000 68.910 68.868 0.069 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658