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 1n4p_1_B 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 0.000 176.915 176.870 0.075 0.000 1.165 18 L CA 0.000 54.870 54.840 0.049 0.000 0.813 18 L CB 0.000 42.075 42.059 0.026 0.000 0.961 19 D N 0.025 120.473 120.400 0.079 0.000 2.423 19 D HA 0.353 4.993 4.640 0.000 0.000 0.235 19 D C -1.153 175.257 176.300 0.184 0.000 1.011 19 D CA -0.399 53.673 54.000 0.120 0.000 0.963 19 D CB 2.265 43.111 40.800 0.078 0.000 1.349 19 D HN -0.008 nan 8.370 nan 0.000 0.508 20 F N 0.831 120.822 119.950 0.069 0.000 2.444 20 F HA 0.262 4.789 4.527 0.000 0.000 0.360 20 F C -0.247 175.588 175.800 0.059 0.000 1.106 20 F CA -1.030 57.043 58.000 0.120 0.000 1.170 20 F CB 0.448 39.535 39.000 0.145 0.000 1.113 20 F HN 0.132 nan 8.300 nan 0.000 0.521 21 L N 7.923 128.856 121.223 -0.485 0.000 2.583 21 L HA 0.213 4.553 4.340 0.000 0.000 0.239 21 L C 1.905 178.247 176.870 -0.879 0.000 1.347 21 L CA 0.380 54.852 54.840 -0.612 0.000 1.246 21 L CB -1.086 40.603 42.059 -0.617 0.000 1.496 21 L HN 0.695 nan 8.230 nan 0.000 0.413 22 R N 0.437 120.466 120.500 -0.785 0.000 2.133 22 R HA -0.236 4.104 4.340 0.000 0.000 0.245 22 R C 1.236 177.387 176.300 -0.247 0.000 1.137 22 R CA 2.358 58.169 56.100 -0.482 0.000 0.947 22 R CB 0.096 30.372 30.300 -0.040 0.000 0.865 22 R HN 0.492 nan 8.270 nan 0.000 0.437 23 D N -0.451 119.825 120.400 -0.206 0.000 2.144 23 D HA -0.168 4.472 4.640 0.000 0.000 0.199 23 D C 2.045 178.237 176.300 -0.181 0.000 0.984 23 D CA 1.075 54.995 54.000 -0.134 0.000 0.834 23 D CB -0.234 40.502 40.800 -0.106 0.000 0.955 23 D HN 0.206 nan 8.370 nan 0.000 0.465 24 R N 0.243 120.545 120.500 -0.330 0.000 2.081 24 R HA -0.120 4.220 4.340 0.000 0.000 0.235 24 R C 2.210 178.310 176.300 -0.334 0.000 1.131 24 R CA 1.226 57.108 56.100 -0.363 0.000 0.960 24 R CB -0.257 29.729 30.300 -0.523 0.000 0.856 24 R HN 0.299 nan 8.270 nan 0.000 0.436 25 H N -0.912 118.003 119.070 -0.259 0.000 2.428 25 H HA -0.013 4.543 4.556 0.000 0.000 0.296 25 H C 2.028 177.294 175.328 -0.104 0.000 1.062 25 H CA 1.466 57.346 56.048 -0.280 0.000 1.350 25 H CB -0.196 29.407 29.762 -0.264 0.000 1.403 25 H HN 0.069 nan 8.280 nan 0.000 0.533 26 V N 1.002 120.980 119.914 0.107 0.000 2.358 26 V HA -0.212 3.908 4.120 0.000 0.000 0.246 26 V C 2.609 178.778 176.094 0.125 0.000 1.047 26 V CA 1.531 63.942 62.300 0.186 0.000 1.035 26 V CB -0.349 31.540 31.823 0.110 0.000 0.658 26 V HN 0.279 nan 8.190 nan 0.000 0.452 27 R N -1.134 119.387 120.500 0.034 0.000 2.092 27 R HA -0.143 4.197 4.340 0.000 0.000 0.231 27 R C 2.239 178.540 176.300 0.001 0.000 1.119 27 R CA 1.812 57.914 56.100 0.003 0.000 0.970 27 R CB -0.444 29.833 30.300 -0.037 0.000 0.864 27 R HN 0.536 nan 8.270 nan 0.000 0.440 28 F N 0.588 120.441 119.950 -0.162 0.000 2.065 28 F HA -0.252 4.275 4.527 0.000 0.000 0.298 28 F C 1.701 177.402 175.800 -0.166 0.000 1.112 28 F CA 1.681 59.548 58.000 -0.222 0.000 1.212 28 F CB -0.368 38.418 39.000 -0.357 0.000 0.975 28 F HN -0.078 nan 8.300 nan 0.000 0.476 29 F N 0.446 120.521 119.950 0.208 0.000 2.171 29 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 29 F C 2.532 178.287 175.800 -0.074 0.000 1.090 29 F CA 1.207 59.249 58.000 0.071 0.000 1.293 29 F CB -0.596 38.470 39.000 0.111 0.000 1.013 29 F HN 0.061 nan 8.300 nan 0.000 0.486 30 Q N 0.098 119.961 119.800 0.105 0.000 2.084 30 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 30 Q C 2.236 178.186 176.000 -0.083 0.000 0.978 30 Q CA 1.421 57.226 55.803 0.004 0.000 0.844 30 Q CB -0.332 28.401 28.738 -0.007 0.000 0.898 30 Q HN 0.386 nan 8.270 nan 0.000 0.426 31 R N -0.033 120.376 120.500 -0.151 0.000 2.096 31 R HA -0.107 4.233 4.340 0.000 0.000 0.235 31 R C 2.441 178.585 176.300 -0.261 0.000 1.127 31 R CA 1.388 57.356 56.100 -0.221 0.000 0.968 31 R CB -0.355 29.770 30.300 -0.291 0.000 0.861 31 R HN 0.284 nan 8.270 nan 0.000 0.440 32 C N 0.147 119.272 119.300 -0.291 0.000 2.413 32 C HA -0.053 4.407 4.460 0.000 0.000 0.277 32 C C 2.050 176.936 174.990 -0.174 0.000 1.265 32 C CA 0.388 59.258 59.018 -0.246 0.000 1.752 32 C CB -0.697 26.971 27.740 -0.120 0.000 1.998 32 C HN 0.400 nan 8.230 nan 0.000 0.489 33 L N 0.341 121.478 121.223 -0.143 0.000 2.478 33 L HA 0.033 4.373 4.340 0.000 0.000 0.223 33 L C 2.016 178.767 176.870 -0.199 0.000 1.140 33 L CA 1.341 56.078 54.840 -0.172 0.000 0.842 33 L CB -1.472 40.502 42.059 -0.142 0.000 0.953 33 L HN 0.531 nan 8.230 nan 0.000 0.452 34 Q N -1.067 118.628 119.800 -0.174 0.000 1.956 34 Q HA 0.182 4.522 4.340 0.000 0.000 0.555 34 Q C -0.244 175.663 176.000 -0.155 0.000 0.966 34 Q CA 0.335 56.042 55.803 -0.159 0.000 0.791 34 Q CB 0.399 29.057 28.738 -0.134 0.000 2.750 34 Q HN 0.064 nan 8.270 nan 0.000 0.344 35 V N 1.301 121.134 119.914 -0.135 0.000 2.588 35 V HA 0.393 4.513 4.120 0.000 0.000 0.304 35 V C -0.904 175.123 176.094 -0.112 0.000 1.042 35 V CA -0.574 61.662 62.300 -0.108 0.000 0.877 35 V CB 1.584 33.361 31.823 -0.076 0.000 0.996 35 V HN 0.304 nan 8.190 nan 0.000 0.425 36 L N 5.049 126.219 121.223 -0.088 0.000 2.334 36 L HA 0.619 4.959 4.340 0.000 0.000 0.273 36 L C -2.326 174.591 176.870 0.079 0.000 1.013 36 L CA -1.836 52.958 54.840 -0.076 0.000 0.816 36 L CB 1.679 43.638 42.059 -0.166 0.000 1.278 36 L HN 0.421 nan 8.230 nan 0.000 0.431 37 P HA 0.015 nan 4.420 nan 0.000 0.269 37 P C 0.431 177.849 177.300 0.196 0.000 1.215 37 P CA -0.313 62.899 63.100 0.187 0.000 0.780 37 P CB 0.646 32.474 31.700 0.213 0.000 0.898 38 E N 1.865 122.117 120.200 0.087 0.000 2.331 38 E HA -0.242 4.108 4.350 0.000 0.000 0.199 38 E C 1.495 178.099 176.600 0.006 0.000 1.008 38 E CA 0.567 57.000 56.400 0.056 0.000 0.843 38 E CB 0.076 29.793 29.700 0.028 0.000 0.761 38 E HN 0.355 nan 8.360 nan 0.000 0.507 39 R N -0.690 119.763 120.500 -0.078 0.000 2.328 39 R HA -0.134 4.206 4.340 0.000 0.000 0.207 39 R C 0.565 176.626 176.300 -0.400 0.000 1.056 39 R CA 1.042 56.989 56.100 -0.256 0.000 1.016 39 R CB -0.323 29.755 30.300 -0.370 0.000 0.872 39 R HN 0.241 nan 8.270 nan 0.000 0.471 40 Y N 1.322 121.635 120.300 0.021 0.000 2.524 40 Y HA 0.156 4.706 4.550 -0.000 0.000 0.266 40 Y C 2.079 177.995 175.900 0.026 0.000 1.180 40 Y CA 0.069 58.186 58.100 0.028 0.000 1.244 40 Y CB 0.643 39.117 38.460 0.023 0.000 1.125 40 Y HN 0.205 nan 8.280 nan 0.000 0.524 41 S N -0.446 115.310 115.700 0.093 0.000 2.392 41 S HA -0.286 4.184 4.470 0.000 0.000 0.232 41 S C 2.042 176.674 174.600 0.053 0.000 1.041 41 S CA 1.659 59.900 58.200 0.067 0.000 1.026 41 S CB -0.929 62.292 63.200 0.036 0.000 0.845 41 S HN 0.517 nan 8.310 nan 0.000 0.465 42 S N 1.357 117.086 115.700 0.049 0.000 2.595 42 S HA 0.189 4.659 4.470 0.000 0.000 0.235 42 S C 1.399 176.030 174.600 0.051 0.000 0.974 42 S CA 0.500 58.723 58.200 0.039 0.000 0.942 42 S CB -0.700 62.525 63.200 0.041 0.000 0.766 42 S HN 0.586 nan 8.310 nan 0.000 0.536 43 L N 0.357 121.631 121.223 0.085 0.000 2.585 43 L HA 0.267 4.607 4.340 0.000 0.000 0.226 43 L C 2.444 179.341 176.870 0.045 0.000 1.113 43 L CA 0.254 55.147 54.840 0.088 0.000 0.876 43 L CB -0.275 41.873 42.059 0.147 0.000 1.072 43 L HN 0.238 nan 8.230 nan 0.000 0.468 44 E N 1.440 121.654 120.200 0.023 0.000 2.068 44 E HA -0.290 4.060 4.350 0.000 0.000 0.207 44 E C 1.970 178.535 176.600 -0.057 0.000 1.032 44 E CA 2.567 58.970 56.400 0.005 0.000 0.839 44 E CB -0.259 29.430 29.700 -0.018 0.000 0.758 44 E HN 0.425 nan 8.360 nan 0.000 0.457 45 T N -2.375 112.052 114.554 -0.211 0.000 3.163 45 T HA 0.015 4.365 4.350 0.000 0.000 0.260 45 T C 0.934 175.546 174.700 -0.146 0.000 1.156 45 T CA 0.683 62.591 62.100 -0.320 0.000 1.072 45 T CB -0.350 68.205 68.868 -0.520 0.000 0.937 45 T HN 0.156 nan 8.240 nan 0.000 0.528 46 S N -0.717 114.943 115.700 -0.068 0.000 2.901 46 S HA 0.416 4.886 4.470 0.000 0.000 0.248 46 S C 1.006 175.617 174.600 0.018 0.000 1.021 46 S CA -0.977 57.191 58.200 -0.055 0.000 1.090 46 S CB 0.209 63.375 63.200 -0.057 0.000 1.039 46 S HN 0.320 nan 8.310 nan 0.000 0.514 47 R N 0.147 120.698 120.500 0.084 0.000 2.115 47 R HA 0.109 4.449 4.340 0.000 0.000 0.230 47 R C 1.934 178.362 176.300 0.212 0.000 1.111 47 R CA 1.017 57.212 56.100 0.158 0.000 0.976 47 R CB -0.382 30.071 30.300 0.256 0.000 0.870 47 R HN 0.400 nan 8.270 nan 0.000 0.445 48 L N 0.963 122.297 121.223 0.184 0.000 2.083 48 L HA -0.156 4.184 4.340 0.000 0.000 0.209 48 L C 2.279 179.139 176.870 -0.017 0.000 1.083 48 L CA 2.279 57.199 54.840 0.133 0.000 0.752 48 L CB -0.817 41.209 42.059 -0.055 0.000 0.899 48 L HN 0.277 nan 8.230 nan 0.000 0.433 49 T N -3.671 110.811 114.554 -0.119 0.000 3.023 49 T HA -0.053 4.297 4.350 0.000 0.000 0.266 49 T C 1.930 176.390 174.700 -0.400 0.000 1.093 49 T CA 0.741 62.650 62.100 -0.319 0.000 1.129 49 T CB -0.368 68.283 68.868 -0.362 0.000 0.899 49 T HN 0.183 nan 8.240 nan 0.000 0.491 50 I N 2.218 122.718 120.570 -0.117 0.000 2.315 50 I HA 0.056 4.226 4.170 0.000 0.000 0.248 50 I C 3.085 179.196 176.117 -0.009 0.000 1.117 50 I CA 1.027 62.344 61.300 0.029 0.000 1.404 50 I CB -1.713 36.334 38.000 0.079 0.000 1.071 50 I HN 0.393 nan 8.210 nan 0.000 0.419 51 A N 0.861 123.672 122.820 -0.014 0.000 1.902 51 A HA -0.268 4.052 4.320 0.000 0.000 0.217 51 A C 2.302 179.815 177.584 -0.118 0.000 1.181 51 A CA 1.458 53.479 52.037 -0.027 0.000 0.623 51 A CB -1.117 17.959 19.000 0.126 0.000 0.818 51 A HN 0.383 nan 8.150 nan 0.000 0.443 52 F N 0.020 119.784 119.950 -0.309 0.000 2.069 52 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 52 F C 1.998 177.490 175.800 -0.514 0.000 1.113 52 F CA 1.800 59.529 58.000 -0.453 0.000 1.214 52 F CB -0.606 38.023 39.000 -0.618 0.000 0.978 52 F HN 0.260 nan 8.300 nan 0.000 0.474 53 F N 0.271 119.847 119.950 -0.623 0.000 2.126 53 F HA -0.251 4.276 4.527 0.000 0.000 0.299 53 F C 2.627 177.927 175.800 -0.833 0.000 1.096 53 F CA 0.716 58.187 58.000 -0.882 0.000 1.255 53 F CB -0.886 37.935 39.000 -0.299 0.000 0.997 53 F HN 0.157 nan 8.300 nan 0.000 0.479 54 A N 0.333 122.982 122.820 -0.285 0.000 1.872 54 A HA -0.085 4.235 4.320 0.000 0.000 0.214 54 A C 2.150 179.421 177.584 -0.521 0.000 1.187 54 A CA 1.080 52.922 52.037 -0.325 0.000 0.614 54 A CB -0.940 18.055 19.000 -0.009 0.000 0.826 54 A HN 0.336 nan 8.150 nan 0.000 0.442 55 L N -0.944 120.029 121.223 -0.418 0.000 2.005 55 L HA -0.141 4.199 4.340 0.000 0.000 0.207 55 L C 2.898 179.493 176.870 -0.458 0.000 1.072 55 L CA 1.625 56.253 54.840 -0.353 0.000 0.744 55 L CB -0.546 41.359 42.059 -0.257 0.000 0.895 55 L HN 0.463 nan 8.230 nan 0.000 0.433 56 S N -0.161 115.115 115.700 -0.707 0.000 2.419 56 S HA -0.123 4.347 4.470 0.000 0.000 0.233 56 S C 1.918 176.251 174.600 -0.445 0.000 1.016 56 S CA 1.248 59.050 58.200 -0.665 0.000 0.974 56 S CB -0.343 62.093 63.200 -1.273 0.000 0.786 56 S HN 0.545 nan 8.310 nan 0.000 0.492 57 G N 1.200 109.581 108.800 -0.700 0.000 2.402 57 G HA2 -0.053 3.907 3.960 0.000 0.000 0.216 57 G HA3 -0.053 3.907 3.960 0.000 0.000 0.216 57 G C 1.381 175.981 174.900 -0.499 0.000 1.162 57 G CA 0.638 45.276 45.100 -0.770 0.000 0.777 57 G HN 0.507 nan 8.290 nan 0.000 0.539 58 L N 0.326 121.278 121.223 -0.453 0.000 2.056 58 L HA -0.036 4.304 4.340 0.000 0.000 0.207 58 L C 2.567 179.390 176.870 -0.078 0.000 1.078 58 L CA 1.257 56.024 54.840 -0.122 0.000 0.749 58 L CB -0.330 41.679 42.059 -0.084 0.000 0.901 58 L HN 0.166 nan 8.230 nan 0.000 0.433 59 D N 0.205 120.525 120.400 -0.133 0.000 2.104 59 D HA -0.268 4.372 4.640 0.000 0.000 0.194 59 D C 2.135 178.406 176.300 -0.048 0.000 0.994 59 D CA 1.469 55.419 54.000 -0.083 0.000 0.830 59 D CB 0.032 40.768 40.800 -0.107 0.000 0.959 59 D HN 0.027 nan 8.370 nan 0.000 0.452 60 M N -0.408 119.154 119.600 -0.064 0.000 2.267 60 M HA 0.016 4.496 4.480 0.000 0.000 0.263 60 M C 1.442 177.749 176.300 0.010 0.000 1.063 60 M CA 1.139 56.413 55.300 -0.042 0.000 1.090 60 M CB -0.033 32.516 32.600 -0.086 0.000 1.392 60 M HN 0.092 nan 8.290 nan 0.000 0.422 61 L N -1.219 120.036 121.223 0.054 0.000 2.667 61 L HA 0.134 4.474 4.340 0.000 0.000 0.232 61 L C 0.083 177.005 176.870 0.087 0.000 1.138 61 L CA -0.210 54.705 54.840 0.125 0.000 0.921 61 L CB -0.385 41.808 42.059 0.223 0.000 1.180 61 L HN 0.245 nan 8.230 nan 0.000 0.487 62 D N 0.465 120.891 120.400 0.043 0.000 2.737 62 D HA -0.207 4.433 4.640 0.000 0.000 0.238 62 D C 0.229 176.551 176.300 0.037 0.000 1.157 62 D CA 0.704 54.723 54.000 0.031 0.000 0.694 62 D CB -0.622 40.199 40.800 0.035 0.000 1.021 62 D HN 0.203 nan 8.370 nan 0.000 0.420 63 S N 0.049 115.768 115.700 0.032 0.000 3.082 63 S HA 0.175 4.645 4.470 0.000 0.000 0.253 63 S C 1.514 176.123 174.600 0.015 0.000 0.961 63 S CA -0.588 57.633 58.200 0.035 0.000 1.129 63 S CB 0.235 63.473 63.200 0.064 0.000 1.083 63 S HN 0.407 nan 8.310 nan 0.000 0.605 64 L N 2.221 123.442 121.223 -0.003 0.000 2.450 64 L HA -0.137 4.203 4.340 0.000 0.000 0.224 64 L C 2.190 179.056 176.870 -0.006 0.000 1.149 64 L CA 1.179 56.009 54.840 -0.016 0.000 0.816 64 L CB -0.350 41.694 42.059 -0.025 0.000 0.932 64 L HN 0.512 nan 8.230 nan 0.000 0.449 65 D N 0.095 120.496 120.400 0.002 0.000 2.219 65 D HA -0.146 4.494 4.640 0.000 0.000 0.205 65 D C 1.814 178.116 176.300 0.002 0.000 0.970 65 D CA 1.395 55.397 54.000 0.004 0.000 0.851 65 D CB -0.361 40.443 40.800 0.007 0.000 0.943 65 D HN 0.400 nan 8.370 nan 0.000 0.488 66 V N -0.311 119.605 119.914 0.004 0.000 3.444 66 V HA 0.063 4.183 4.120 0.000 0.000 0.271 66 V C 0.847 176.937 176.094 -0.008 0.000 1.188 66 V CA 0.272 62.573 62.300 0.001 0.000 1.168 66 V CB -1.233 30.595 31.823 0.009 0.000 0.810 66 V HN 0.212 nan 8.190 nan 0.000 0.500 67 V N -2.266 117.642 119.914 -0.010 0.000 3.001 67 V HA 0.604 4.724 4.120 0.000 0.000 0.314 67 V C -0.205 175.883 176.094 -0.010 0.000 1.099 67 V CA -0.947 61.342 62.300 -0.018 0.000 0.989 67 V CB 1.900 33.706 31.823 -0.028 0.000 1.040 67 V HN 0.246 nan 8.190 nan 0.000 0.434 68 N N 2.153 120.847 118.700 -0.010 0.000 2.663 68 N HA 0.229 4.969 4.740 0.000 0.000 0.250 68 N C 0.911 176.433 175.510 0.019 0.000 1.129 68 N CA -0.062 52.990 53.050 0.005 0.000 0.995 68 N CB 0.660 39.150 38.487 0.004 0.000 1.324 68 N HN 0.813 nan 8.380 nan 0.000 0.512 69 K N 1.020 121.433 120.400 0.021 0.000 2.189 69 K HA -0.186 4.135 4.320 0.000 0.000 0.207 69 K C 0.669 177.306 176.600 0.062 0.000 1.046 69 K CA 1.458 57.765 56.287 0.034 0.000 0.928 69 K CB 0.263 32.779 32.500 0.028 0.000 0.720 69 K HN 0.548 nan 8.250 nan 0.000 0.458 70 D N 0.849 121.287 120.400 0.064 0.000 2.123 70 D HA -0.117 4.523 4.640 0.000 0.000 0.200 70 D C 1.450 177.818 176.300 0.114 0.000 0.976 70 D CA 0.993 55.045 54.000 0.087 0.000 0.831 70 D CB -0.100 40.741 40.800 0.069 0.000 0.974 70 D HN 0.200 nan 8.370 nan 0.000 0.469 71 D N 1.254 121.710 120.400 0.094 0.000 2.084 71 D HA -0.095 4.545 4.640 0.000 0.000 0.194 71 D C 2.373 178.780 176.300 0.179 0.000 0.990 71 D CA 0.519 54.588 54.000 0.115 0.000 0.826 71 D CB -0.334 40.500 40.800 0.057 0.000 0.971 71 D HN 0.270 nan 8.370 nan 0.000 0.453 72 I N 0.911 121.565 120.570 0.140 0.000 2.286 72 I HA -0.226 3.944 4.170 0.000 0.000 0.248 72 I C 2.456 178.733 176.117 0.265 0.000 1.115 72 I CA 0.715 62.135 61.300 0.200 0.000 1.392 72 I CB -0.199 37.863 38.000 0.103 0.000 1.065 72 I HN -0.033 nan 8.210 nan 0.000 0.418 73 I N 0.447 121.132 120.570 0.192 0.000 2.286 73 I HA -0.242 3.928 4.170 0.000 0.000 0.248 73 I C 2.526 178.815 176.117 0.286 0.000 1.115 73 I CA 1.162 62.576 61.300 0.189 0.000 1.392 73 I CB -0.378 37.739 38.000 0.196 0.000 1.065 73 I HN 0.250 nan 8.210 nan 0.000 0.418 74 E N -0.076 120.309 120.200 0.308 0.000 2.072 74 E HA -0.249 4.101 4.350 0.000 0.000 0.191 74 E C 1.725 178.533 176.600 0.346 0.000 0.985 74 E CA 1.134 57.734 56.400 0.333 0.000 0.801 74 E CB -0.444 29.456 29.700 0.334 0.000 0.750 74 E HN 0.600 nan 8.360 nan 0.000 0.452 75 W N 1.888 123.322 121.300 0.222 0.000 2.355 75 W HA -0.136 4.524 4.660 -0.000 0.000 0.309 75 W C 1.998 178.581 176.519 0.106 0.000 1.206 75 W CA 1.446 58.922 57.345 0.218 0.000 1.284 75 W CB -0.478 29.082 29.460 0.167 0.000 1.145 75 W HN -0.063 nan 8.180 nan 0.000 0.502 76 I N -0.581 119.993 120.570 0.006 0.000 2.163 76 I HA -0.373 3.797 4.170 0.000 0.000 0.243 76 I C 2.119 178.131 176.117 -0.174 0.000 1.085 76 I CA 1.493 62.638 61.300 -0.259 0.000 1.347 76 I CB -0.884 37.015 38.000 -0.168 0.000 1.044 76 I HN -0.059 nan 8.210 nan 0.000 0.408 77 Y N 1.086 121.370 120.300 -0.026 0.000 2.403 77 Y HA -0.206 4.344 4.550 -0.000 0.000 0.291 77 Y C 2.927 178.668 175.900 -0.264 0.000 1.143 77 Y CA 1.342 59.401 58.100 -0.067 0.000 1.257 77 Y CB -0.595 37.839 38.460 -0.044 0.000 0.984 77 Y HN 0.273 nan 8.280 nan 0.000 0.550 78 S N -0.961 114.593 115.700 -0.243 0.000 2.515 78 S HA -0.064 4.406 4.470 0.000 0.000 0.231 78 S C 1.529 175.890 174.600 -0.398 0.000 0.987 78 S CA 0.664 58.571 58.200 -0.489 0.000 0.936 78 S CB -0.637 62.037 63.200 -0.876 0.000 0.766 78 S HN 0.485 nan 8.310 nan 0.000 0.528 79 L N 0.506 121.506 121.223 -0.371 0.000 2.567 79 L HA 0.269 4.609 4.340 0.000 0.000 0.225 79 L C 1.329 177.964 176.870 -0.393 0.000 1.119 79 L CA -0.009 54.635 54.840 -0.327 0.000 0.871 79 L CB -0.226 41.640 42.059 -0.322 0.000 1.036 79 L HN 0.409 nan 8.230 nan 0.000 0.459 80 Q N 1.379 120.818 119.800 -0.603 0.000 2.304 80 Q HA 0.186 4.526 4.340 0.000 0.000 0.260 80 Q C -0.726 174.948 176.000 -0.542 0.000 0.965 80 Q CA -0.234 54.958 55.803 -1.019 0.000 0.898 80 Q CB 1.470 29.585 28.738 -1.040 0.000 1.196 80 Q HN -0.020 nan 8.270 nan 0.000 0.402 81 V N 6.939 126.574 119.914 -0.465 0.000 2.339 81 V HA 0.179 4.299 4.120 0.000 0.000 0.261 81 V C 0.180 176.131 176.094 -0.238 0.000 1.058 81 V CA -0.171 61.965 62.300 -0.274 0.000 0.897 81 V CB 0.184 31.891 31.823 -0.193 0.000 1.052 81 V HN 0.724 nan 8.190 nan 0.000 0.480 82 L N 7.935 129.035 121.223 -0.204 0.000 2.399 82 L HA 0.482 4.822 4.340 0.000 0.000 0.266 82 L C -1.832 174.968 176.870 -0.117 0.000 1.114 82 L CA -1.803 52.941 54.840 -0.159 0.000 0.804 82 L CB 1.377 43.346 42.059 -0.149 0.000 1.146 82 L HN 0.380 nan 8.230 nan 0.000 0.451 83 P HA 0.073 nan 4.420 nan 0.000 0.271 83 P C -0.515 176.743 177.300 -0.070 0.000 1.218 83 P CA -0.363 62.690 63.100 -0.077 0.000 0.780 83 P CB 0.646 32.305 31.700 -0.068 0.000 0.901 84 T N -2.079 112.439 114.554 -0.060 0.000 2.754 84 T HA 0.273 4.623 4.350 0.000 0.000 0.286 84 T C 1.745 176.415 174.700 -0.049 0.000 0.997 84 T CA 0.272 62.340 62.100 -0.053 0.000 0.982 84 T CB -0.311 68.529 68.868 -0.046 0.000 1.027 84 T HN 0.447 nan 8.240 nan 0.000 0.529 85 E N 1.027 121.200 120.200 -0.044 0.000 2.086 85 E HA -0.246 4.104 4.350 0.000 0.000 0.200 85 E C 1.541 178.118 176.600 -0.038 0.000 1.012 85 E CA 1.947 58.322 56.400 -0.040 0.000 0.812 85 E CB -1.435 28.244 29.700 -0.036 0.000 0.743 85 E HN 0.981 nan 8.360 nan 0.000 0.453 86 D N -0.579 119.799 120.400 -0.037 0.000 2.363 86 D HA -0.046 4.594 4.640 0.000 0.000 0.226 86 D C 0.345 176.623 176.300 -0.036 0.000 1.020 86 D CA 0.297 54.276 54.000 -0.034 0.000 0.892 86 D CB -0.558 40.222 40.800 -0.032 0.000 0.900 86 D HN 0.497 nan 8.370 nan 0.000 0.531 87 R N -0.084 120.392 120.500 -0.041 0.000 3.387 87 R HA -0.171 4.170 4.340 0.000 0.000 0.254 87 R C 0.443 176.719 176.300 -0.040 0.000 1.006 87 R CA 0.891 56.966 56.100 -0.043 0.000 0.677 87 R CB -2.833 27.442 30.300 -0.041 0.000 1.063 87 R HN 0.459 nan 8.270 nan 0.000 0.453 88 S N -0.315 115.361 115.700 -0.041 0.000 2.577 88 S HA 0.013 4.483 4.470 0.000 0.000 0.219 88 S C 0.874 175.449 174.600 -0.043 0.000 0.962 88 S CA 0.012 58.188 58.200 -0.039 0.000 0.921 88 S CB 0.177 63.354 63.200 -0.038 0.000 0.789 88 S HN 0.549 nan 8.310 nan 0.000 0.497 89 N N 1.079 119.751 118.700 -0.046 0.000 2.351 89 N HA 0.215 4.955 4.740 0.000 0.000 0.254 89 N C 0.825 176.305 175.510 -0.050 0.000 1.241 89 N CA -0.400 52.621 53.050 -0.049 0.000 0.883 89 N CB -0.448 38.007 38.487 -0.053 0.000 1.202 89 N HN 0.309 nan 8.380 nan 0.000 0.512 90 L N 0.326 121.522 121.223 -0.045 0.000 2.042 90 L HA -0.132 4.208 4.340 0.000 0.000 0.210 90 L C 0.905 177.752 176.870 -0.038 0.000 1.076 90 L CA 1.400 56.214 54.840 -0.043 0.000 0.749 90 L CB -0.245 41.791 42.059 -0.038 0.000 0.893 90 L HN 0.077 nan 8.230 nan 0.000 0.432 91 D N 0.091 120.470 120.400 -0.034 0.000 2.392 91 D HA -0.094 4.546 4.640 0.000 0.000 0.228 91 D C 1.424 177.705 176.300 -0.032 0.000 1.003 91 D CA 0.784 54.766 54.000 -0.029 0.000 0.917 91 D CB 0.051 40.834 40.800 -0.028 0.000 0.890 91 D HN 0.408 nan 8.370 nan 0.000 0.532 92 R N -0.783 119.693 120.500 -0.040 0.000 2.572 92 R HA 0.209 4.549 4.340 0.000 0.000 0.370 92 R C 0.024 176.293 176.300 -0.052 0.000 1.005 92 R CA -0.238 55.836 56.100 -0.043 0.000 1.146 92 R CB 0.371 30.644 30.300 -0.046 0.000 1.390 92 R HN 0.028 nan 8.270 nan 0.000 0.553 93 C N 0.736 120.003 119.300 -0.055 0.000 2.520 93 C HA 0.798 5.258 4.460 0.000 0.000 0.376 93 C C 1.413 176.372 174.990 -0.052 0.000 1.268 93 C CA 0.303 59.276 59.018 -0.075 0.000 2.414 93 C CB 1.004 28.697 27.740 -0.079 0.000 2.521 93 C HN 0.787 nan 8.230 nan 0.000 0.618 94 G N 0.543 109.295 108.800 -0.081 0.000 2.366 94 G HA2 0.276 4.236 3.960 0.000 0.000 0.190 94 G HA3 0.276 4.236 3.960 0.000 0.000 0.190 94 G C -1.656 173.207 174.900 -0.062 0.000 1.299 94 G CA -0.498 44.625 45.100 0.038 0.000 1.056 94 G HN 0.426 nan 8.290 nan 0.000 0.468 95 F N 1.284 121.188 119.950 -0.077 0.000 2.563 95 F HA 0.764 5.291 4.527 0.000 0.000 0.316 95 F C 0.835 176.589 175.800 -0.076 0.000 1.076 95 F CA -0.731 57.205 58.000 -0.106 0.000 0.921 95 F CB 2.136 41.048 39.000 -0.148 0.000 1.209 95 F HN 0.404 nan 8.300 nan 0.000 0.462 96 R N 0.147 120.674 120.500 0.046 0.000 2.532 96 R HA 0.482 4.822 4.340 0.000 0.000 0.272 96 R C 1.002 177.324 176.300 0.037 0.000 1.032 96 R CA -0.302 55.822 56.100 0.040 0.000 1.089 96 R CB 0.632 30.913 30.300 -0.032 0.000 1.098 96 R HN 0.911 nan 8.270 nan 0.000 0.526 97 G N -0.162 108.682 108.800 0.073 0.000 2.511 97 G HA2 -0.084 3.876 3.960 0.000 0.000 0.217 97 G HA3 -0.084 3.876 3.960 0.000 0.000 0.217 97 G C 0.290 175.233 174.900 0.071 0.000 1.133 97 G CA 0.832 45.943 45.100 0.018 0.000 0.792 97 G HN 0.631 nan 8.290 nan 0.000 0.539 98 S N -1.838 113.954 115.700 0.153 0.000 2.714 98 S HA 0.363 4.833 4.470 0.000 0.000 0.280 98 S C 0.242 174.951 174.600 0.183 0.000 1.200 98 S CA 0.475 58.799 58.200 0.205 0.000 0.900 98 S CB 0.757 64.136 63.200 0.299 0.000 1.235 98 S HN 0.507 nan 8.310 nan 0.000 0.512 99 S N 0.195 116.015 115.700 0.201 0.000 2.583 99 S HA 0.165 4.635 4.470 0.000 0.000 0.239 99 S C 1.178 175.820 174.600 0.070 0.000 0.966 99 S CA 0.080 58.330 58.200 0.084 0.000 0.973 99 S CB -1.274 62.006 63.200 0.134 0.000 0.794 99 S HN 1.010 nan 8.310 nan 0.000 0.463 100 Y N 0.508 120.834 120.300 0.043 0.000 2.556 100 Y HA 0.127 4.677 4.550 0.000 0.000 0.290 100 Y C 1.352 177.266 175.900 0.022 0.000 1.149 100 Y CA 0.153 58.277 58.100 0.039 0.000 1.329 100 Y CB -0.729 37.752 38.460 0.036 0.000 0.975 100 Y HN 0.325 nan 8.280 nan 0.000 0.561 101 L N 0.389 121.282 121.223 -0.551 0.000 2.492 101 L HA 0.176 4.516 4.340 0.000 0.000 0.223 101 L C 1.849 178.638 176.870 -0.134 0.000 1.132 101 L CA 0.942 55.533 54.840 -0.415 0.000 0.850 101 L CB -0.574 41.115 42.059 -0.616 0.000 0.966 101 L HN 0.651 nan 8.230 nan 0.000 0.454 102 G N 0.766 109.523 108.800 -0.071 0.000 2.141 102 G HA2 -0.267 3.693 3.960 0.000 0.000 0.242 102 G HA3 -0.267 3.693 3.960 0.000 0.000 0.242 102 G C 0.270 175.183 174.900 0.022 0.000 0.982 102 G CA -0.271 44.836 45.100 0.012 0.000 0.662 102 G HN 0.272 nan 8.290 nan 0.000 0.527 103 I N 2.983 123.538 120.570 -0.025 0.000 2.556 103 I HA 0.192 4.362 4.170 0.000 0.000 0.284 103 I C -0.731 175.399 176.117 0.022 0.000 1.114 103 I CA -1.561 59.735 61.300 -0.006 0.000 1.418 103 I CB 0.565 38.520 38.000 -0.074 0.000 1.394 103 I HN 0.032 nan 8.210 nan 0.000 0.552 104 P HA -0.091 nan 4.420 nan 0.000 0.264 104 P C -0.440 176.918 177.300 0.097 0.000 1.183 104 P CA -0.082 63.065 63.100 0.079 0.000 0.763 104 P CB 0.365 32.101 31.700 0.060 0.000 0.807 105 F N 3.430 123.385 119.950 0.008 0.000 2.612 105 F HA 0.001 4.528 4.527 0.000 0.000 0.389 105 F C 0.629 176.430 175.800 0.002 0.000 1.055 105 F CA 0.969 58.977 58.000 0.013 0.000 1.232 105 F CB -0.030 38.993 39.000 0.038 0.000 1.044 105 F HN 0.416 nan 8.300 nan 0.000 0.560 106 N N 6.883 125.271 118.700 -0.520 0.000 2.932 106 N HA 0.252 4.992 4.740 0.000 0.000 0.242 106 N C -2.873 172.367 175.510 -0.449 0.000 1.351 106 N CA -1.343 51.507 53.050 -0.333 0.000 0.785 106 N CB 1.141 39.526 38.487 -0.170 0.000 1.501 106 N HN 0.136 nan 8.380 nan 0.000 0.584 107 P HA 0.064 nan 4.420 nan 0.000 0.235 107 P C -0.692 176.505 177.300 -0.171 0.000 1.670 107 P CA 0.281 63.222 63.100 -0.265 0.000 1.017 107 P CB -0.479 31.165 31.700 -0.093 0.000 1.945 108 S N -0.951 114.640 115.700 -0.182 0.000 3.559 108 S HA -0.221 4.249 4.470 0.000 0.000 0.369 108 S C 1.271 175.759 174.600 -0.186 0.000 0.987 108 S CA 1.573 59.665 58.200 -0.180 0.000 1.187 108 S CB -1.527 61.567 63.200 -0.178 0.000 0.914 108 S HN 0.767 nan 8.310 nan 0.000 0.480 109 K N 0.291 120.604 120.400 -0.145 0.000 2.467 109 K HA 0.541 4.861 4.320 0.000 0.000 0.231 109 K C 0.774 177.317 176.600 -0.094 0.000 1.065 109 K CA 0.990 57.211 56.287 -0.111 0.000 1.004 109 K CB -1.297 31.158 32.500 -0.075 0.000 1.309 109 K HN 0.922 nan 8.250 nan 0.000 0.462 110 N N 2.364 121.018 118.700 -0.076 0.000 2.260 110 N HA 0.352 5.092 4.740 0.000 0.000 0.230 110 N C -1.605 173.859 175.510 -0.077 0.000 1.323 110 N CA -0.531 52.480 53.050 -0.065 0.000 0.897 110 N CB -0.613 37.845 38.487 -0.049 0.000 1.146 110 N HN 0.582 nan 8.380 nan 0.000 0.460 111 P HA 0.265 nan 4.420 nan 0.000 0.282 111 P C 0.352 177.607 177.300 -0.075 0.000 1.286 111 P CA -0.060 62.997 63.100 -0.072 0.000 0.777 111 P CB -0.212 31.452 31.700 -0.059 0.000 1.184 112 G N -0.665 108.089 108.800 -0.077 0.000 2.406 112 G HA2 0.338 4.298 3.960 0.000 0.000 0.251 112 G HA3 0.338 4.298 3.960 0.000 0.000 0.251 112 G C -0.188 174.678 174.900 -0.056 0.000 1.271 112 G CA -0.112 44.941 45.100 -0.078 0.000 0.859 112 G HN 0.551 nan 8.290 nan 0.000 0.540 113 T N 0.940 115.465 114.554 -0.048 0.000 2.781 113 T HA 0.553 4.903 4.350 0.000 0.000 0.305 113 T C 0.797 175.494 174.700 -0.004 0.000 1.001 113 T CA -0.012 62.073 62.100 -0.025 0.000 0.950 113 T CB -0.006 68.853 68.868 -0.016 0.000 0.955 113 T HN 1.065 nan 8.240 nan 0.000 0.471 114 A N 4.418 127.232 122.820 -0.010 0.000 2.603 114 A HA 0.259 4.579 4.320 0.000 0.000 0.235 114 A C 0.259 177.871 177.584 0.046 0.000 1.035 114 A CA 0.371 52.408 52.037 -0.001 0.000 0.755 114 A CB -0.145 18.839 19.000 -0.027 0.000 0.954 114 A HN 1.011 nan 8.150 nan 0.000 0.511 115 H N 3.057 122.091 119.070 -0.061 0.000 3.099 115 H HA 0.305 4.861 4.556 0.000 0.000 0.342 115 H C -2.428 172.852 175.328 -0.081 0.000 1.054 115 H CA -1.336 54.684 56.048 -0.047 0.000 1.328 115 H CB 1.768 31.508 29.762 -0.037 0.000 1.876 115 H HN 0.360 nan 8.280 nan 0.000 0.495 116 P HA -0.140 nan 4.420 nan 0.000 0.217 116 P C 0.090 177.156 177.300 -0.390 0.000 1.151 116 P CA 1.582 64.543 63.100 -0.232 0.000 0.849 116 P CB 0.093 31.623 31.700 -0.284 0.000 0.787 117 Y N -2.624 117.900 120.300 0.374 0.000 2.641 117 Y HA 0.266 4.816 4.550 -0.000 0.000 0.248 117 Y C 0.227 176.107 175.900 -0.033 0.000 1.170 117 Y CA -0.963 57.223 58.100 0.143 0.000 1.201 117 Y CB -0.015 38.529 38.460 0.140 0.000 1.232 117 Y HN -0.143 nan 8.280 nan 0.000 0.537 118 D N 1.479 121.869 120.400 -0.016 0.000 2.277 118 D HA 0.449 5.089 4.640 0.000 0.000 0.249 118 D C -0.127 176.125 176.300 -0.080 0.000 1.134 118 D CA 0.181 54.075 54.000 -0.177 0.000 0.863 118 D CB 0.764 41.396 40.800 -0.280 0.000 1.143 118 D HN 0.157 nan 8.370 nan 0.000 0.458 119 S N 1.677 117.338 115.700 -0.064 0.000 2.611 119 S HA 0.750 5.220 4.470 0.000 0.000 0.268 119 S C 0.082 174.671 174.600 -0.018 0.000 1.156 119 S CA -0.776 57.400 58.200 -0.040 0.000 0.817 119 S CB 0.837 64.028 63.200 -0.014 0.000 1.122 119 S HN 0.485 nan 8.310 nan 0.000 0.466 120 G N -0.051 108.740 108.800 -0.015 0.000 2.580 120 G HA2 0.527 4.487 3.960 0.000 0.000 0.278 120 G HA3 0.527 4.487 3.960 0.000 0.000 0.278 120 G C -0.898 174.041 174.900 0.065 0.000 1.212 120 G CA -0.318 44.799 45.100 0.028 0.000 0.939 120 G HN 0.879 nan 8.290 nan 0.000 0.513 121 H N 0.546 119.610 119.070 -0.009 0.000 2.744 121 H HA 0.230 4.786 4.556 0.000 0.000 0.339 121 H C 1.019 176.302 175.328 -0.074 0.000 1.004 121 H CA -0.701 55.315 56.048 -0.052 0.000 1.257 121 H CB 1.822 31.572 29.762 -0.020 0.000 1.552 121 H HN 0.382 nan 8.280 nan 0.000 0.522 122 I N 4.000 124.417 120.570 -0.255 0.000 2.185 122 I HA -0.340 3.830 4.170 0.000 0.000 0.246 122 I C 1.950 178.102 176.117 0.058 0.000 1.088 122 I CA 1.957 63.165 61.300 -0.153 0.000 1.347 122 I CB -0.061 37.735 38.000 -0.340 0.000 1.041 122 I HN 0.710 nan 8.210 nan 0.000 0.415 123 A N -0.161 122.817 122.820 0.263 0.000 2.066 123 A HA -0.145 4.175 4.320 0.000 0.000 0.218 123 A C 2.115 179.792 177.584 0.155 0.000 1.157 123 A CA 1.181 53.416 52.037 0.330 0.000 0.670 123 A CB -0.285 18.973 19.000 0.430 0.000 0.804 123 A HN 0.429 nan 8.150 nan 0.000 0.453 124 M N -0.899 118.787 119.600 0.145 0.000 2.287 124 M HA -0.007 4.473 4.480 0.000 0.000 0.266 124 M C 2.040 178.292 176.300 -0.081 0.000 1.079 124 M CA 1.548 56.839 55.300 -0.016 0.000 1.146 124 M CB -1.919 30.699 32.600 0.030 0.000 1.374 124 M HN 0.328 nan 8.290 nan 0.000 0.435 125 T N 0.512 115.079 114.554 0.022 0.000 2.746 125 T HA -0.174 4.176 4.350 0.000 0.000 0.267 125 T C 1.698 176.281 174.700 -0.195 0.000 1.039 125 T CA 1.509 63.592 62.100 -0.029 0.000 1.142 125 T CB -0.474 68.445 68.868 0.084 0.000 0.866 125 T HN 0.355 nan 8.240 nan 0.000 0.444 126 Y N 2.993 123.164 120.300 -0.215 0.000 2.089 126 Y HA -0.208 4.342 4.550 0.000 0.000 0.282 126 Y C 2.717 178.409 175.900 -0.347 0.000 1.139 126 Y CA 1.953 59.897 58.100 -0.261 0.000 1.123 126 Y CB -1.272 37.059 38.460 -0.215 0.000 0.980 126 Y HN 0.299 nan 8.280 nan 0.000 0.493 127 T N -1.998 112.004 114.554 -0.921 0.000 2.881 127 T HA -0.043 4.307 4.350 0.000 0.000 0.270 127 T C 2.200 176.527 174.700 -0.620 0.000 1.068 127 T CA 1.105 62.575 62.100 -1.049 0.000 1.131 127 T CB -1.355 67.032 68.868 -0.801 0.000 0.871 127 T HN 0.445 nan 8.240 nan 0.000 0.479 128 G N 1.934 110.373 108.800 -0.601 0.000 2.453 128 G HA2 -0.040 3.920 3.960 0.000 0.000 0.215 128 G HA3 -0.040 3.920 3.960 0.000 0.000 0.215 128 G C 1.499 175.961 174.900 -0.730 0.000 1.201 128 G CA 0.723 45.374 45.100 -0.747 0.000 0.784 128 G HN 0.504 nan 8.290 nan 0.000 0.545 129 L N 0.612 121.404 121.223 -0.720 0.000 2.042 129 L HA -0.125 4.215 4.340 0.000 0.000 0.210 129 L C 3.113 179.822 176.870 -0.268 0.000 1.076 129 L CA 1.396 55.978 54.840 -0.429 0.000 0.749 129 L CB -0.520 41.384 42.059 -0.258 0.000 0.893 129 L HN 0.357 nan 8.230 nan 0.000 0.432 130 S N -0.926 114.594 115.700 -0.300 0.000 2.370 130 S HA -0.231 4.239 4.470 0.000 0.000 0.226 130 S C 2.175 176.718 174.600 -0.096 0.000 1.033 130 S CA 1.652 59.741 58.200 -0.184 0.000 1.011 130 S CB -0.325 62.652 63.200 -0.371 0.000 0.852 130 S HN 0.507 nan 8.310 nan 0.000 0.457 131 C N 0.987 120.202 119.300 -0.141 0.000 2.446 131 C HA 0.074 4.534 4.460 0.000 0.000 0.277 131 C C 2.535 177.462 174.990 -0.105 0.000 1.275 131 C CA 0.592 59.556 59.018 -0.091 0.000 1.727 131 C CB -1.561 26.121 27.740 -0.097 0.000 2.010 131 C HN 0.592 nan 8.230 nan 0.000 0.486 132 L N 0.392 121.515 121.223 -0.166 0.000 2.012 132 L HA -0.200 4.140 4.340 0.000 0.000 0.210 132 L C 2.394 179.236 176.870 -0.046 0.000 1.073 132 L CA 1.705 56.468 54.840 -0.128 0.000 0.748 132 L CB -0.566 41.372 42.059 -0.201 0.000 0.891 132 L HN 0.362 nan 8.230 nan 0.000 0.431 133 I N -0.241 120.303 120.570 -0.044 0.000 2.226 133 I HA -0.324 3.846 4.170 0.000 0.000 0.245 133 I C 2.424 178.528 176.117 -0.021 0.000 1.100 133 I CA 1.487 62.777 61.300 -0.017 0.000 1.374 133 I CB -0.250 37.737 38.000 -0.022 0.000 1.057 133 I HN 0.198 nan 8.210 nan 0.000 0.413 134 I N 0.525 121.076 120.570 -0.032 0.000 2.286 134 I HA -0.286 3.884 4.170 0.000 0.000 0.248 134 I C 2.160 178.257 176.117 -0.034 0.000 1.115 134 I CA 1.468 62.744 61.300 -0.040 0.000 1.392 134 I CB -0.271 37.685 38.000 -0.072 0.000 1.065 134 I HN 0.225 nan 8.210 nan 0.000 0.418 135 L N 0.326 121.533 121.223 -0.026 0.000 2.610 135 L HA 0.092 4.432 4.340 0.000 0.000 0.232 135 L C 1.660 178.539 176.870 0.014 0.000 1.149 135 L CA 0.722 55.559 54.840 -0.007 0.000 0.872 135 L CB -0.386 41.676 42.059 0.004 0.000 0.992 135 L HN 0.542 nan 8.230 nan 0.000 0.447 136 G N -0.094 108.714 108.800 0.014 0.000 2.194 136 G HA2 -0.316 3.644 3.960 0.000 0.000 0.236 136 G HA3 -0.316 3.644 3.960 0.000 0.000 0.236 136 G C 0.142 175.075 174.900 0.054 0.000 0.987 136 G CA 0.202 45.318 45.100 0.027 0.000 0.635 136 G HN 0.444 nan 8.290 nan 0.000 0.520 137 D N 0.657 121.101 120.400 0.074 0.000 2.378 137 D HA 0.397 5.037 4.640 0.000 0.000 0.238 137 D C 1.396 177.779 176.300 0.138 0.000 1.180 137 D CA 0.674 54.751 54.000 0.127 0.000 0.895 137 D CB 0.474 41.376 40.800 0.169 0.000 1.192 137 D HN 0.319 nan 8.370 nan 0.000 0.438 138 D N 1.307 121.816 120.400 0.181 0.000 2.369 138 D HA 0.062 4.702 4.640 0.000 0.000 0.211 138 D C 0.655 177.155 176.300 0.333 0.000 1.077 138 D CA -0.255 53.883 54.000 0.230 0.000 0.842 138 D CB 0.051 40.978 40.800 0.212 0.000 0.947 138 D HN 0.302 nan 8.370 nan 0.000 0.509 139 L N 0.303 121.707 121.223 0.301 0.000 4.496 139 L HA -0.283 4.057 4.340 0.000 0.000 0.419 139 L C 1.722 178.709 176.870 0.195 0.000 1.139 139 L CA 0.989 56.014 54.840 0.309 0.000 0.975 139 L CB -2.925 39.347 42.059 0.356 0.000 2.099 139 L HN 0.336 nan 8.230 nan 0.000 0.818 140 S N -1.350 114.435 115.700 0.142 0.000 2.423 140 S HA -0.105 4.365 4.470 0.000 0.000 0.231 140 S C 1.683 176.263 174.600 -0.033 0.000 1.014 140 S CA 1.206 59.415 58.200 0.015 0.000 0.965 140 S CB -0.209 62.998 63.200 0.011 0.000 0.785 140 S HN 0.646 nan 8.310 nan 0.000 0.495 141 R N 0.718 121.193 120.500 -0.040 0.000 2.310 141 R HA 0.298 4.638 4.340 0.000 0.000 0.202 141 R C -0.538 175.781 176.300 0.032 0.000 0.933 141 R CA -0.045 55.935 56.100 -0.200 0.000 1.054 141 R CB 0.120 29.941 30.300 -0.799 0.000 0.985 141 R HN 0.261 nan 8.270 nan 0.000 0.489 142 V N 1.961 121.988 119.914 0.188 0.000 2.432 142 V HA 0.008 4.128 4.120 0.000 0.000 0.271 142 V C 0.196 176.313 176.094 0.038 0.000 1.046 142 V CA -0.634 61.793 62.300 0.212 0.000 0.945 142 V CB 1.339 33.309 31.823 0.245 0.000 0.992 142 V HN 0.093 nan 8.190 nan 0.000 0.471 143 D N 4.970 125.371 120.400 0.001 0.000 2.498 143 D HA 0.085 4.725 4.640 0.000 0.000 0.229 143 D C 1.266 177.541 176.300 -0.041 0.000 1.188 143 D CA -0.001 53.970 54.000 -0.049 0.000 1.028 143 D CB 0.487 41.245 40.800 -0.069 0.000 1.087 143 D HN 0.532 nan 8.370 nan 0.000 0.510 144 K N 1.592 121.953 120.400 -0.066 0.000 2.059 144 K HA -0.188 4.132 4.320 0.000 0.000 0.212 144 K C 1.521 178.082 176.600 -0.065 0.000 1.050 144 K CA 0.975 57.217 56.287 -0.075 0.000 0.927 144 K CB 0.215 32.621 32.500 -0.155 0.000 0.714 144 K HN 0.314 nan 8.250 nan 0.000 0.447 145 E N 0.493 120.648 120.200 -0.074 0.000 2.153 145 E HA -0.148 4.202 4.350 0.000 0.000 0.194 145 E C 2.033 178.606 176.600 -0.045 0.000 0.988 145 E CA 1.161 57.526 56.400 -0.059 0.000 0.811 145 E CB -0.177 29.486 29.700 -0.061 0.000 0.746 145 E HN 0.362 nan 8.360 nan 0.000 0.466 146 A N 0.635 123.426 122.820 -0.048 0.000 1.873 146 A HA -0.165 4.155 4.320 0.000 0.000 0.215 146 A C 2.636 180.201 177.584 -0.032 0.000 1.186 146 A CA 1.315 53.324 52.037 -0.045 0.000 0.616 146 A CB -0.875 18.089 19.000 -0.061 0.000 0.823 146 A HN 0.343 nan 8.150 nan 0.000 0.442 147 C N -0.563 118.725 119.300 -0.019 0.000 2.429 147 C HA -0.076 4.384 4.460 0.000 0.000 0.277 147 C C 2.644 177.630 174.990 -0.008 0.000 1.262 147 C CA 1.061 60.082 59.018 0.005 0.000 1.733 147 C CB -1.540 26.227 27.740 0.045 0.000 2.010 147 C HN 0.619 nan 8.230 nan 0.000 0.483 148 L N 1.012 122.223 121.223 -0.020 0.000 2.083 148 L HA -0.135 4.205 4.340 0.000 0.000 0.209 148 L C 2.878 179.747 176.870 -0.001 0.000 1.083 148 L CA 1.492 56.320 54.840 -0.019 0.000 0.752 148 L CB -0.811 41.230 42.059 -0.031 0.000 0.899 148 L HN 0.342 nan 8.230 nan 0.000 0.433 149 A N 0.509 123.323 122.820 -0.010 0.000 1.877 149 A HA -0.118 4.202 4.320 0.000 0.000 0.216 149 A C 2.427 180.010 177.584 -0.001 0.000 1.186 149 A CA 1.740 53.773 52.037 -0.008 0.000 0.620 149 A CB -1.246 17.742 19.000 -0.020 0.000 0.822 149 A HN 0.425 nan 8.150 nan 0.000 0.443 150 G N -0.452 108.344 108.800 -0.006 0.000 2.418 150 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 150 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 150 G C 1.588 176.499 174.900 0.019 0.000 1.158 150 G CA 0.922 46.019 45.100 -0.005 0.000 0.771 150 G HN 0.407 nan 8.290 nan 0.000 0.545 151 L N -0.204 121.037 121.223 0.030 0.000 1.989 151 L HA -0.086 4.254 4.340 0.000 0.000 0.211 151 L C 3.232 180.206 176.870 0.173 0.000 1.071 151 L CA 1.352 56.240 54.840 0.080 0.000 0.749 151 L CB -0.297 41.784 42.059 0.035 0.000 0.890 151 L HN 0.202 nan 8.230 nan 0.000 0.431 152 R N -0.547 120.022 120.500 0.115 0.000 2.119 152 R HA -0.229 4.111 4.340 0.000 0.000 0.246 152 R C 2.182 178.503 176.300 0.035 0.000 1.146 152 R CA 1.546 57.700 56.100 0.090 0.000 0.962 152 R CB -0.525 29.801 30.300 0.044 0.000 0.863 152 R HN 0.462 nan 8.270 nan 0.000 0.442 153 A N 0.755 123.589 122.820 0.023 0.000 2.070 153 A HA -0.107 4.213 4.320 0.000 0.000 0.220 153 A C 2.013 179.591 177.584 -0.011 0.000 1.159 153 A CA 1.107 53.141 52.037 -0.005 0.000 0.656 153 A CB -0.341 18.654 19.000 -0.009 0.000 0.800 153 A HN 0.217 nan 8.150 nan 0.000 0.453 154 L N -1.038 120.208 121.223 0.039 0.000 2.418 154 L HA 0.029 4.369 4.340 0.000 0.000 0.218 154 L C 1.414 178.242 176.870 -0.069 0.000 1.125 154 L CA 0.041 54.913 54.840 0.053 0.000 0.835 154 L CB -0.221 41.938 42.059 0.166 0.000 0.953 154 L HN 0.511 nan 8.230 nan 0.000 0.454 155 Q N 1.441 121.063 119.800 -0.296 0.000 2.304 155 Q HA 0.309 4.649 4.340 0.000 0.000 0.260 155 Q C -0.523 175.235 176.000 -0.404 0.000 0.965 155 Q CA -0.120 55.210 55.803 -0.789 0.000 0.898 155 Q CB 0.907 29.056 28.738 -0.982 0.000 1.196 155 Q HN 0.239 nan 8.270 nan 0.000 0.402 156 L N 2.549 123.544 121.223 -0.379 0.000 2.448 156 L HA 0.308 4.648 4.340 0.000 0.000 0.258 156 L C 1.849 178.615 176.870 -0.172 0.000 1.104 156 L CA 0.072 54.788 54.840 -0.207 0.000 0.800 156 L CB 0.283 42.252 42.059 -0.151 0.000 1.241 156 L HN 0.898 nan 8.230 nan 0.000 0.472 157 E N 0.810 120.952 120.200 -0.097 0.000 2.085 157 E HA -0.263 4.087 4.350 0.000 0.000 0.194 157 E C 1.324 177.898 176.600 -0.043 0.000 0.994 157 E CA 1.703 58.066 56.400 -0.062 0.000 0.801 157 E CB -0.927 28.754 29.700 -0.032 0.000 0.743 157 E HN 0.893 nan 8.360 nan 0.000 0.453 158 D N -1.918 118.469 120.400 -0.023 0.000 2.378 158 D HA 0.220 4.860 4.640 0.000 0.000 0.227 158 D C 1.505 177.841 176.300 0.061 0.000 1.012 158 D CA 1.261 55.294 54.000 0.054 0.000 0.905 158 D CB -0.054 40.831 40.800 0.142 0.000 0.895 158 D HN 0.919 nan 8.370 nan 0.000 0.532 159 G N -0.314 108.431 108.800 -0.092 0.000 2.234 159 G HA2 -0.284 3.676 3.960 0.000 0.000 0.235 159 G HA3 -0.284 3.676 3.960 0.000 0.000 0.235 159 G C 0.537 175.245 174.900 -0.320 0.000 0.997 159 G CA 0.402 45.425 45.100 -0.129 0.000 0.623 159 G HN 0.834 nan 8.290 nan 0.000 0.514 160 S N -0.147 115.215 115.700 -0.563 0.000 2.661 160 S HA 0.818 5.288 4.470 0.000 0.000 0.265 160 S C -0.135 174.228 174.600 -0.395 0.000 1.225 160 S CA -0.344 57.455 58.200 -0.668 0.000 0.986 160 S CB 1.265 63.714 63.200 -1.252 0.000 1.008 160 S HN 0.533 nan 8.310 nan 0.000 0.565 161 F N -1.286 118.580 119.950 -0.140 0.000 2.579 161 F HA 0.606 5.133 4.527 -0.000 0.000 0.324 161 F C 0.418 176.277 175.800 0.099 0.000 1.058 161 F CA -1.019 56.974 58.000 -0.011 0.000 0.944 161 F CB 1.432 40.448 39.000 0.026 0.000 1.245 161 F HN 0.658 nan 8.300 nan 0.000 0.477 162 C N 0.401 119.819 119.300 0.197 0.000 2.345 162 C HA 0.702 5.162 4.460 0.000 0.000 0.370 162 C C 1.454 176.264 174.990 -0.301 0.000 1.209 162 C CA -0.026 59.027 59.018 0.059 0.000 2.133 162 C CB 1.364 29.100 27.740 -0.007 0.000 2.293 162 C HN 0.971 nan 8.230 nan 0.000 0.544 163 A N 0.395 122.838 122.820 -0.629 0.000 1.956 163 A HA 0.374 4.694 4.320 0.000 0.000 0.212 163 A C 0.570 177.751 177.584 -0.673 0.000 1.188 163 A CA 1.160 52.527 52.037 -1.116 0.000 0.675 163 A CB -0.188 17.924 19.000 -1.481 0.000 0.845 163 A HN 1.263 nan 8.150 nan 0.000 0.455 164 V N -4.632 115.070 119.914 -0.353 0.000 2.876 164 V HA 0.499 4.620 4.120 0.000 0.000 0.312 164 V C -2.300 173.745 176.094 -0.081 0.000 1.085 164 V CA -1.661 60.536 62.300 -0.173 0.000 0.945 164 V CB 1.846 33.625 31.823 -0.074 0.000 1.017 164 V HN 0.083 nan 8.190 nan 0.000 0.428 165 P HA -0.136 nan 4.420 nan 0.000 0.219 165 P C 0.928 178.223 177.300 -0.008 0.000 1.146 165 P CA 1.438 64.522 63.100 -0.028 0.000 0.808 165 P CB 0.415 32.100 31.700 -0.026 0.000 0.779 166 E N -0.218 119.989 120.200 0.012 0.000 2.409 166 E HA 0.215 4.565 4.350 0.000 0.000 0.198 166 E C 1.123 177.744 176.600 0.035 0.000 1.024 166 E CA 0.897 57.320 56.400 0.039 0.000 0.861 166 E CB -0.661 29.091 29.700 0.086 0.000 0.788 166 E HN 0.379 nan 8.360 nan 0.000 0.521 167 G N -0.470 108.341 108.800 0.018 0.000 2.674 167 G HA2 0.209 4.169 3.960 0.000 0.000 0.686 167 G HA3 0.209 4.169 3.960 0.000 0.000 0.686 167 G C -0.247 174.674 174.900 0.035 0.000 1.195 167 G CA -0.461 44.653 45.100 0.023 0.000 0.776 167 G HN 0.606 nan 8.290 nan 0.000 0.654 168 S N -0.421 115.307 115.700 0.046 0.000 2.671 168 S HA 0.753 5.223 4.470 0.000 0.000 0.270 168 S C -0.452 174.220 174.600 0.119 0.000 1.166 168 S CA 0.092 58.341 58.200 0.082 0.000 0.868 168 S CB 1.352 64.592 63.200 0.067 0.000 1.190 168 S HN 2.052 nan 8.310 nan 0.000 0.494 169 E N 1.513 121.819 120.200 0.176 0.000 2.392 169 E HA 0.317 4.667 4.350 0.000 0.000 0.259 169 E C -0.864 175.890 176.600 0.256 0.000 1.108 169 E CA -0.417 56.087 56.400 0.174 0.000 0.916 169 E CB 0.096 29.889 29.700 0.154 0.000 0.989 169 E HN 0.737 nan 8.360 nan 0.000 0.432 170 N N 0.847 119.647 118.700 0.167 0.000 2.295 170 N HA 0.393 5.133 4.740 0.000 0.000 0.293 170 N C -1.407 174.137 175.510 0.057 0.000 1.040 170 N CA -0.548 52.608 53.050 0.176 0.000 0.840 170 N CB 2.077 40.618 38.487 0.089 0.000 1.468 170 N HN 0.635 nan 8.380 nan 0.000 0.478 171 D N -0.259 120.128 120.400 -0.021 0.000 2.792 171 D HA 0.132 4.772 4.640 0.000 0.000 0.335 171 D C 0.673 176.958 176.300 -0.025 0.000 1.353 171 D CA -0.694 53.294 54.000 -0.020 0.000 0.839 171 D CB 0.546 41.291 40.800 -0.090 0.000 1.396 171 D HN 0.195 nan 8.370 nan 0.000 0.479 172 M N 0.147 119.813 119.600 0.111 0.000 2.144 172 M HA -0.021 4.459 4.480 0.000 0.000 0.260 172 M C 1.815 178.131 176.300 0.026 0.000 1.067 172 M CA 1.852 57.235 55.300 0.138 0.000 1.095 172 M CB -0.400 32.266 32.600 0.109 0.000 1.365 172 M HN 0.476 nan 8.290 nan 0.000 0.406 173 R N -1.314 119.101 120.500 -0.143 0.000 2.096 173 R HA -0.177 4.163 4.340 0.000 0.000 0.240 173 R C 2.095 178.426 176.300 0.052 0.000 1.139 173 R CA 2.088 58.108 56.100 -0.132 0.000 0.952 173 R CB -0.759 29.314 30.300 -0.378 0.000 0.854 173 R HN 0.439 nan 8.270 nan 0.000 0.436 174 F N -0.314 119.682 119.950 0.076 0.000 2.456 174 F HA -0.091 4.436 4.527 0.000 0.000 0.298 174 F C 2.240 177.970 175.800 -0.117 0.000 1.104 174 F CA -0.104 57.897 58.000 0.001 0.000 1.435 174 F CB 0.017 39.041 39.000 0.041 0.000 1.078 174 F HN -0.162 nan 8.300 nan 0.000 0.546 175 V N -0.442 119.562 119.914 0.150 0.000 2.427 175 V HA -0.318 3.802 4.120 0.000 0.000 0.248 175 V C 2.015 178.109 176.094 -0.002 0.000 1.051 175 V CA 1.720 64.073 62.300 0.088 0.000 1.048 175 V CB -0.754 31.202 31.823 0.222 0.000 0.666 175 V HN 0.380 nan 8.190 nan 0.000 0.456 176 Y N 0.219 120.489 120.300 -0.050 0.000 2.200 176 Y HA -0.251 4.299 4.550 0.000 0.000 0.290 176 Y C 2.524 178.292 175.900 -0.220 0.000 1.137 176 Y CA 1.590 59.634 58.100 -0.093 0.000 1.163 176 Y CB -0.705 37.734 38.460 -0.035 0.000 0.988 176 Y HN 0.233 nan 8.280 nan 0.000 0.518 177 C N 0.309 119.429 119.300 -0.299 0.000 2.432 177 C HA -0.129 4.331 4.460 0.000 0.000 0.277 177 C C 3.081 177.779 174.990 -0.486 0.000 1.249 177 C CA 1.267 59.997 59.018 -0.481 0.000 1.725 177 C CB -1.732 25.946 27.740 -0.104 0.000 2.028 177 C HN 0.736 nan 8.230 nan 0.000 0.477 178 A N 0.340 122.846 122.820 -0.523 0.000 1.908 178 A HA -0.175 4.145 4.320 0.000 0.000 0.218 178 A C 2.262 179.586 177.584 -0.433 0.000 1.181 178 A CA 2.393 54.044 52.037 -0.643 0.000 0.627 178 A CB -0.852 17.299 19.000 -1.414 0.000 0.818 178 A HN 0.564 nan 8.150 nan 0.000 0.445 179 S N -0.908 114.599 115.700 -0.322 0.000 2.359 179 S HA -0.210 4.260 4.470 0.000 0.000 0.224 179 S C 1.950 176.363 174.600 -0.312 0.000 1.035 179 S CA 1.473 59.589 58.200 -0.139 0.000 1.018 179 S CB -0.734 62.499 63.200 0.055 0.000 0.876 179 S HN 0.716 nan 8.310 nan 0.000 0.448 180 C N 1.242 120.250 119.300 -0.488 0.000 2.425 180 C HA 0.021 4.481 4.460 0.000 0.000 0.277 180 C C 2.437 177.303 174.990 -0.207 0.000 1.280 180 C CA 0.252 59.028 59.018 -0.403 0.000 1.744 180 C CB -1.374 25.924 27.740 -0.737 0.000 1.989 180 C HN 0.546 nan 8.230 nan 0.000 0.491 181 I N -0.028 120.385 120.570 -0.260 0.000 2.163 181 I HA -0.229 3.941 4.170 0.000 0.000 0.240 181 I C 2.586 178.545 176.117 -0.265 0.000 1.081 181 I CA 1.456 62.647 61.300 -0.181 0.000 1.353 181 I CB -0.559 37.336 38.000 -0.175 0.000 1.054 181 I HN 0.347 nan 8.210 nan 0.000 0.407 182 C N -0.174 118.837 119.300 -0.481 0.000 2.413 182 C HA -0.237 4.223 4.460 0.000 0.000 0.277 182 C C 2.802 177.268 174.990 -0.873 0.000 1.265 182 C CA 0.786 59.320 59.018 -0.806 0.000 1.752 182 C CB -1.064 25.863 27.740 -1.356 0.000 1.998 182 C HN 0.508 nan 8.230 nan 0.000 0.489 183 Y N 0.887 120.716 120.300 -0.785 0.000 2.163 183 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 183 Y C 2.497 178.374 175.900 -0.038 0.000 1.136 183 Y CA 1.779 59.700 58.100 -0.298 0.000 1.147 183 Y CB -0.356 38.068 38.460 -0.059 0.000 0.987 183 Y HN 0.237 nan 8.280 nan 0.000 0.509 184 M N -0.641 119.034 119.600 0.124 0.000 2.132 184 M HA -0.182 4.298 4.480 0.000 0.000 0.263 184 M C 1.722 178.170 176.300 0.247 0.000 1.065 184 M CA 1.431 56.850 55.300 0.198 0.000 1.122 184 M CB -0.249 32.433 32.600 0.135 0.000 1.365 184 M HN 0.235 nan 8.290 nan 0.000 0.411 185 L N 0.116 121.383 121.223 0.074 0.000 2.599 185 L HA 0.004 4.344 4.340 0.000 0.000 0.230 185 L C 0.434 177.312 176.870 0.013 0.000 1.141 185 L CA -0.162 54.748 54.840 0.118 0.000 0.877 185 L CB -0.942 41.104 42.059 -0.021 0.000 1.009 185 L HN 0.448 nan 8.230 nan 0.000 0.447 186 N N 2.114 120.683 118.700 -0.219 0.000 2.699 186 N HA -0.272 4.468 4.740 0.000 0.000 0.256 186 N C -0.495 174.887 175.510 -0.213 0.000 0.993 186 N CA 0.462 53.260 53.050 -0.421 0.000 0.759 186 N CB -0.879 37.030 38.487 -0.964 0.000 0.906 186 N HN 0.482 nan 8.380 nan 0.000 0.541 187 N N 0.036 118.576 118.700 -0.266 0.000 2.578 187 N HA 0.163 4.903 4.740 0.000 0.000 0.282 187 N C -0.867 174.508 175.510 -0.224 0.000 1.119 187 N CA -0.567 52.406 53.050 -0.129 0.000 0.948 187 N CB 0.035 38.469 38.487 -0.088 0.000 1.546 187 N HN 0.273 nan 8.380 nan 0.000 0.525 188 W N 2.049 123.350 121.300 0.002 0.000 3.400 188 W HA 0.167 4.827 4.660 0.000 0.000 0.347 188 W C 1.833 178.369 176.519 0.028 0.000 1.218 188 W CA -0.114 57.245 57.345 0.022 0.000 1.837 188 W CB 0.059 29.538 29.460 0.030 0.000 1.067 188 W HN 0.661 nan 8.180 nan 0.000 0.701 189 S N -1.323 114.458 115.700 0.134 0.000 2.555 189 S HA -0.008 4.462 4.470 0.000 0.000 0.230 189 S C 1.963 176.613 174.600 0.083 0.000 0.978 189 S CA 0.869 59.129 58.200 0.099 0.000 0.934 189 S CB -0.430 62.800 63.200 0.051 0.000 0.766 189 S HN 0.270 nan 8.310 nan 0.000 0.533 190 G N 1.380 110.217 108.800 0.062 0.000 2.598 190 G HA2 0.296 4.256 3.960 0.000 0.000 0.215 190 G HA3 0.296 4.256 3.960 0.000 0.000 0.215 190 G C 0.377 175.377 174.900 0.166 0.000 1.131 190 G CA 0.607 45.742 45.100 0.060 0.000 0.785 190 G HN 0.754 nan 8.290 nan 0.000 0.539 191 M N -2.270 117.463 119.600 0.222 0.000 2.644 191 M HA 0.490 4.970 4.480 0.000 0.000 0.273 191 M C -2.169 174.262 176.300 0.219 0.000 1.253 191 M CA -1.050 54.435 55.300 0.308 0.000 0.852 191 M CB 2.064 34.971 32.600 0.512 0.000 1.708 191 M HN -0.170 nan 8.290 nan 0.000 0.471 192 D N 2.057 122.546 120.400 0.149 0.000 2.468 192 D HA 0.259 4.899 4.640 0.000 0.000 0.218 192 D C 0.668 177.033 176.300 0.109 0.000 1.155 192 D CA -0.173 53.880 54.000 0.087 0.000 0.924 192 D CB 0.858 41.670 40.800 0.020 0.000 1.029 192 D HN 0.834 nan 8.370 nan 0.000 0.515 193 M N 3.264 122.940 119.600 0.127 0.000 2.144 193 M HA -0.228 4.252 4.480 0.000 0.000 0.260 193 M C 1.856 178.181 176.300 0.041 0.000 1.067 193 M CA 1.570 56.927 55.300 0.095 0.000 1.095 193 M CB 0.139 32.749 32.600 0.017 0.000 1.365 193 M HN 0.284 nan 8.290 nan 0.000 0.406 194 K N 0.105 120.517 120.400 0.020 0.000 2.026 194 K HA -0.198 4.122 4.320 0.000 0.000 0.208 194 K C 1.857 178.466 176.600 0.015 0.000 1.048 194 K CA 1.609 57.897 56.287 0.001 0.000 0.929 194 K CB -0.018 32.478 32.500 -0.005 0.000 0.713 194 K HN 0.335 nan 8.250 nan 0.000 0.439 195 K N -0.233 120.182 120.400 0.024 0.000 2.148 195 K HA -0.068 4.252 4.320 0.000 0.000 0.204 195 K C 2.099 178.742 176.600 0.071 0.000 1.050 195 K CA 0.946 57.250 56.287 0.028 0.000 0.942 195 K CB -0.021 32.475 32.500 -0.007 0.000 0.724 195 K HN 0.208 nan 8.250 nan 0.000 0.446 196 A N 1.629 124.508 122.820 0.098 0.000 1.873 196 A HA -0.133 4.187 4.320 0.000 0.000 0.215 196 A C 2.078 179.759 177.584 0.163 0.000 1.186 196 A CA 1.171 53.313 52.037 0.176 0.000 0.616 196 A CB -0.535 18.622 19.000 0.260 0.000 0.823 196 A HN 0.154 nan 8.150 nan 0.000 0.442 197 I N -0.488 120.129 120.570 0.078 0.000 2.208 197 I HA -0.237 3.933 4.170 0.000 0.000 0.245 197 I C 2.833 178.949 176.117 -0.002 0.000 1.097 197 I CA 1.537 62.840 61.300 0.006 0.000 1.363 197 I CB -0.278 37.687 38.000 -0.059 0.000 1.051 197 I HN 0.432 nan 8.210 nan 0.000 0.413 198 S N 0.150 115.865 115.700 0.024 0.000 2.368 198 S HA -0.274 4.196 4.470 0.000 0.000 0.225 198 S C 2.173 176.802 174.600 0.050 0.000 1.030 198 S CA 1.390 59.600 58.200 0.018 0.000 0.999 198 S CB -0.442 62.775 63.200 0.029 0.000 0.844 198 S HN 0.498 nan 8.310 nan 0.000 0.459 199 Y N 1.819 122.119 120.300 0.000 0.000 2.181 199 Y HA -0.046 4.504 4.550 0.000 0.000 0.288 199 Y C 1.927 177.840 175.900 0.022 0.000 1.146 199 Y CA 1.824 59.933 58.100 0.016 0.000 1.164 199 Y CB -0.376 38.106 38.460 0.037 0.000 0.982 199 Y HN 0.302 nan 8.280 nan 0.000 0.515 200 I N -0.243 120.392 120.570 0.109 0.000 2.226 200 I HA -0.329 3.841 4.170 0.000 0.000 0.245 200 I C 2.539 178.660 176.117 0.005 0.000 1.100 200 I CA 1.428 62.759 61.300 0.052 0.000 1.374 200 I CB -0.461 37.595 38.000 0.093 0.000 1.057 200 I HN 0.175 nan 8.210 nan 0.000 0.413 201 R N 0.297 120.776 120.500 -0.036 0.000 2.073 201 R HA -0.114 4.226 4.340 0.000 0.000 0.234 201 R C 2.563 178.859 176.300 -0.007 0.000 1.134 201 R CA 1.266 57.366 56.100 -0.000 0.000 0.952 201 R CB -0.320 29.931 30.300 -0.081 0.000 0.850 201 R HN 0.178 nan 8.270 nan 0.000 0.433 202 R N 0.365 120.811 120.500 -0.091 0.000 2.328 202 R HA -0.031 4.309 4.340 0.000 0.000 0.207 202 R C 2.183 178.372 176.300 -0.185 0.000 1.056 202 R CA 1.196 57.221 56.100 -0.125 0.000 1.016 202 R CB -0.707 29.508 30.300 -0.143 0.000 0.872 202 R HN 0.534 nan 8.270 nan 0.000 0.471 203 S N -0.842 114.722 115.700 -0.228 0.000 2.548 203 S HA 0.146 4.616 4.470 0.000 0.000 0.215 203 S C 0.834 175.331 174.600 -0.171 0.000 0.976 203 S CA -0.200 57.855 58.200 -0.241 0.000 0.908 203 S CB -0.216 62.808 63.200 -0.293 0.000 0.781 203 S HN 0.478 nan 8.310 nan 0.000 0.519 204 M N 3.212 122.742 119.600 -0.117 0.000 2.246 204 M HA 0.255 4.735 4.480 0.000 0.000 0.350 204 M C 0.329 176.530 176.300 -0.165 0.000 1.406 204 M CA -0.005 55.202 55.300 -0.156 0.000 1.089 204 M CB 0.766 33.314 32.600 -0.086 0.000 1.782 204 M HN 0.311 nan 8.290 nan 0.000 0.457 205 S N 3.653 119.196 115.700 -0.260 0.000 2.655 205 S HA 0.175 4.645 4.470 0.000 0.000 0.265 205 S C 0.738 175.197 174.600 -0.235 0.000 1.240 205 S CA -0.403 57.643 58.200 -0.257 0.000 0.986 205 S CB 0.483 63.429 63.200 -0.423 0.000 0.985 205 S HN 0.757 nan 8.310 nan 0.000 0.562 206 Y N 0.684 120.943 120.300 -0.068 0.000 2.421 206 Y HA 0.076 4.626 4.550 0.000 0.000 0.292 206 Y C 1.451 177.337 175.900 -0.023 0.000 1.136 206 Y CA 1.213 59.291 58.100 -0.038 0.000 1.255 206 Y CB -0.731 37.718 38.460 -0.019 0.000 0.991 206 Y HN 0.642 nan 8.280 nan 0.000 0.552 207 D N -1.211 118.717 120.400 -0.786 0.000 2.340 207 D HA -0.041 4.599 4.640 0.000 0.000 0.220 207 D C 0.248 176.442 176.300 -0.175 0.000 1.039 207 D CA 0.415 54.192 54.000 -0.372 0.000 0.866 207 D CB -0.594 39.980 40.800 -0.377 0.000 0.913 207 D HN 0.425 nan 8.370 nan 0.000 0.523 208 N N -1.085 117.440 118.700 -0.291 0.000 2.984 208 N HA -0.093 4.647 4.740 0.000 0.000 0.227 208 N C 0.648 175.842 175.510 -0.527 0.000 0.903 208 N CA 1.149 54.029 53.050 -0.285 0.000 0.995 208 N CB -1.471 36.956 38.487 -0.101 0.000 1.065 208 N HN 0.493 nan 8.380 nan 0.000 0.585 209 G N -0.045 108.132 108.800 -1.039 0.000 2.535 209 G HA2 0.620 4.580 3.960 0.000 0.000 0.303 209 G HA3 0.620 4.580 3.960 0.000 0.000 0.303 209 G C -0.319 174.060 174.900 -0.870 0.000 1.237 209 G CA -0.366 43.810 45.100 -1.541 0.000 0.986 209 G HN 0.025 nan 8.290 nan 0.000 0.494 210 L N 0.277 121.068 121.223 -0.721 0.000 2.317 210 L HA 0.700 5.040 4.340 0.000 0.000 0.281 210 L C 0.776 177.452 176.870 -0.324 0.000 1.024 210 L CA -0.578 54.026 54.840 -0.394 0.000 0.810 210 L CB 1.169 43.084 42.059 -0.240 0.000 1.240 210 L HN 0.716 nan 8.230 nan 0.000 0.427 211 A N 2.086 124.769 122.820 -0.229 0.000 2.352 211 A HA 0.515 4.835 4.320 0.000 0.000 0.299 211 A C 0.768 178.293 177.584 -0.098 0.000 1.160 211 A CA -0.307 51.641 52.037 -0.148 0.000 0.933 211 A CB 0.619 19.540 19.000 -0.131 0.000 1.387 211 A HN 0.683 nan 8.150 nan 0.000 0.487 212 Q N -0.698 119.062 119.800 -0.065 0.000 2.224 212 Q HA 0.109 4.449 4.340 0.000 0.000 0.203 212 Q C 0.731 176.757 176.000 0.043 0.000 0.970 212 Q CA 1.364 57.152 55.803 -0.024 0.000 0.865 212 Q CB 0.034 28.745 28.738 -0.046 0.000 0.922 212 Q HN 0.901 nan 8.270 nan 0.000 0.445 213 G N -1.355 107.421 108.800 -0.041 0.000 2.576 213 G HA2 0.505 4.465 3.960 0.000 0.000 0.290 213 G HA3 0.505 4.465 3.960 0.000 0.000 0.290 213 G C -1.548 173.257 174.900 -0.158 0.000 1.442 213 G CA -0.391 44.643 45.100 -0.111 0.000 0.792 213 G HN 0.138 nan 8.290 nan 0.000 0.491 214 A N -0.790 121.905 122.820 -0.207 0.000 2.567 214 A HA 0.511 4.831 4.320 0.000 0.000 0.240 214 A C 1.788 179.338 177.584 -0.057 0.000 1.053 214 A CA 1.857 53.815 52.037 -0.132 0.000 0.755 214 A CB -0.379 18.555 19.000 -0.110 0.000 0.978 214 A HN 2.856 nan 8.150 nan 0.000 0.507 215 G N 0.848 109.625 108.800 -0.038 0.000 2.304 215 G HA2 -0.196 3.764 3.960 0.000 0.000 0.252 215 G HA3 -0.196 3.764 3.960 0.000 0.000 0.252 215 G C 0.183 175.091 174.900 0.012 0.000 1.014 215 G CA 0.427 45.529 45.100 0.003 0.000 0.619 215 G HN 0.786 nan 8.290 nan 0.000 0.525 216 L N 1.238 122.453 121.223 -0.014 0.000 2.475 216 L HA 0.483 4.823 4.340 0.000 0.000 0.253 216 L C 1.055 177.915 176.870 -0.015 0.000 1.198 216 L CA -0.606 54.231 54.840 -0.006 0.000 0.814 216 L CB 0.621 42.670 42.059 -0.017 0.000 1.134 216 L HN 0.463 nan 8.230 nan 0.000 0.478 217 E N 0.338 120.541 120.200 0.006 0.000 2.366 217 E HA 0.111 4.461 4.350 0.000 0.000 0.266 217 E C -0.333 176.246 176.600 -0.035 0.000 1.015 217 E CA -0.409 55.995 56.400 0.007 0.000 0.906 217 E CB 0.659 30.391 29.700 0.053 0.000 0.979 217 E HN 0.633 nan 8.360 nan 0.000 0.443 218 S N 4.490 120.111 115.700 -0.131 0.000 2.568 218 S HA 0.046 4.516 4.470 0.000 0.000 0.282 218 S C -0.174 174.397 174.600 -0.048 0.000 1.338 218 S CA -0.428 57.609 58.200 -0.273 0.000 1.045 218 S CB 0.864 63.650 63.200 -0.691 0.000 0.873 218 S HN 0.662 nan 8.310 nan 0.000 0.516 219 H N 0.419 119.376 119.070 -0.189 0.000 2.930 219 H HA 0.365 4.921 4.556 0.000 0.000 0.371 219 H C 1.164 176.538 175.328 0.076 0.000 1.169 219 H CA -0.031 56.029 56.048 0.019 0.000 1.157 219 H CB 1.666 31.404 29.762 -0.041 0.000 1.789 219 H HN 0.732 nan 8.280 nan 0.000 0.547 220 G N 1.705 110.442 108.800 -0.106 0.000 2.442 220 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 220 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 220 G C 1.460 176.459 174.900 0.165 0.000 1.141 220 G CA 0.871 46.033 45.100 0.103 0.000 0.763 220 G HN 0.653 nan 8.290 nan 0.000 0.554 221 G N 0.947 109.893 108.800 0.244 0.000 2.433 221 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 221 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 221 G C 2.210 177.042 174.900 -0.114 0.000 1.186 221 G CA 1.792 46.780 45.100 -0.188 0.000 0.779 221 G HN 0.609 nan 8.290 nan 0.000 0.543 222 S N 0.100 115.794 115.700 -0.011 0.000 2.423 222 S HA -0.081 4.389 4.470 0.000 0.000 0.231 222 S C 2.221 176.794 174.600 -0.044 0.000 1.014 222 S CA 1.740 59.908 58.200 -0.053 0.000 0.965 222 S CB -0.572 62.592 63.200 -0.060 0.000 0.785 222 S HN 0.280 nan 8.310 nan 0.000 0.495 223 T N 2.118 116.650 114.554 -0.037 0.000 2.746 223 T HA 0.004 4.354 4.350 0.000 0.000 0.267 223 T C 1.279 175.977 174.700 -0.003 0.000 1.039 223 T CA 1.363 63.422 62.100 -0.067 0.000 1.142 223 T CB -0.522 68.294 68.868 -0.087 0.000 0.866 223 T HN 0.494 nan 8.240 nan 0.000 0.444 224 F N 1.496 121.417 119.950 -0.048 0.000 2.102 224 F HA -0.163 4.364 4.527 0.000 0.000 0.298 224 F C 2.412 178.154 175.800 -0.095 0.000 1.105 224 F CA 0.727 58.699 58.000 -0.047 0.000 1.239 224 F CB -0.876 38.144 39.000 0.033 0.000 0.991 224 F HN 0.152 nan 8.300 nan 0.000 0.474 225 C N 0.985 120.145 119.300 -0.234 0.000 2.413 225 C HA -0.104 4.356 4.460 0.000 0.000 0.276 225 C C 3.097 178.002 174.990 -0.142 0.000 1.248 225 C CA 1.275 60.117 59.018 -0.292 0.000 1.742 225 C CB -1.967 25.736 27.740 -0.062 0.000 2.017 225 C HN 0.749 nan 8.230 nan 0.000 0.481 226 G N 0.615 109.371 108.800 -0.073 0.000 2.434 226 G HA2 -0.106 3.854 3.960 0.000 0.000 0.214 226 G HA3 -0.106 3.854 3.960 0.000 0.000 0.214 226 G C 1.380 176.282 174.900 0.003 0.000 1.202 226 G CA 0.725 45.834 45.100 0.015 0.000 0.788 226 G HN 0.351 nan 8.290 nan 0.000 0.539 227 I N 2.080 122.619 120.570 -0.053 0.000 2.208 227 I HA -0.153 4.017 4.170 0.000 0.000 0.245 227 I C 3.263 179.319 176.117 -0.101 0.000 1.097 227 I CA 1.302 62.583 61.300 -0.033 0.000 1.363 227 I CB -1.371 36.599 38.000 -0.050 0.000 1.051 227 I HN 0.262 nan 8.210 nan 0.000 0.413 228 A N 0.189 122.819 122.820 -0.317 0.000 1.933 228 A HA -0.161 4.159 4.320 0.000 0.000 0.218 228 A C 2.599 180.183 177.584 -0.000 0.000 1.175 228 A CA 1.973 53.844 52.037 -0.276 0.000 0.628 228 A CB -0.708 17.816 19.000 -0.793 0.000 0.814 228 A HN 0.412 nan 8.150 nan 0.000 0.444 229 S N -0.085 115.651 115.700 0.060 0.000 2.356 229 S HA -0.110 4.360 4.470 0.000 0.000 0.223 229 S C 1.825 176.483 174.600 0.096 0.000 1.032 229 S CA 1.507 59.791 58.200 0.140 0.000 1.005 229 S CB -0.467 62.826 63.200 0.155 0.000 0.867 229 S HN 0.525 nan 8.310 nan 0.000 0.449 230 L N 0.633 121.886 121.223 0.051 0.000 2.083 230 L HA -0.166 4.174 4.340 0.000 0.000 0.209 230 L C 2.537 179.418 176.870 0.017 0.000 1.083 230 L CA 0.835 55.685 54.840 0.016 0.000 0.752 230 L CB -0.724 41.347 42.059 0.021 0.000 0.899 230 L HN 0.431 nan 8.230 nan 0.000 0.433 231 C N -0.679 118.643 119.300 0.037 0.000 2.446 231 C HA -0.116 4.344 4.460 0.000 0.000 0.277 231 C C 2.624 177.660 174.990 0.076 0.000 1.275 231 C CA 0.041 59.088 59.018 0.049 0.000 1.727 231 C CB -0.687 27.082 27.740 0.048 0.000 2.010 231 C HN 0.389 nan 8.230 nan 0.000 0.486 232 L N 0.381 121.659 121.223 0.092 0.000 2.131 232 L HA -0.076 4.264 4.340 0.000 0.000 0.210 232 L C 2.331 179.384 176.870 0.306 0.000 1.092 232 L CA 1.817 56.755 54.840 0.163 0.000 0.759 232 L CB -0.700 41.462 42.059 0.173 0.000 0.903 232 L HN 0.375 nan 8.230 nan 0.000 0.435 233 M N -1.674 117.944 119.600 0.030 0.000 2.558 233 M HA 0.196 4.677 4.480 0.000 0.000 0.255 233 M C 1.221 177.389 176.300 -0.220 0.000 1.113 233 M CA 0.735 55.797 55.300 -0.395 0.000 1.097 233 M CB -0.131 32.204 32.600 -0.442 0.000 1.426 233 M HN 0.321 nan 8.290 nan 0.000 0.488 234 G N 2.174 110.946 108.800 -0.048 0.000 2.272 234 G HA2 -0.254 3.706 3.960 0.000 0.000 0.280 234 G HA3 -0.254 3.706 3.960 0.000 0.000 0.280 234 G C 0.235 175.102 174.900 -0.055 0.000 1.067 234 G CA 0.213 45.303 45.100 -0.017 0.000 0.902 234 G HN 0.538 nan 8.290 nan 0.000 0.500 235 K N -0.711 119.651 120.400 -0.064 0.000 2.644 235 K HA 0.328 4.648 4.320 0.000 0.000 0.198 235 K C 1.939 178.505 176.600 -0.056 0.000 1.113 235 K CA -0.515 55.727 56.287 -0.075 0.000 1.073 235 K CB 0.328 32.755 32.500 -0.122 0.000 0.811 235 K HN 0.327 nan 8.250 nan 0.000 0.508 236 L N 1.398 122.617 121.223 -0.007 0.000 1.970 236 L HA -0.226 4.114 4.340 0.000 0.000 0.212 236 L C 1.864 178.765 176.870 0.052 0.000 1.071 236 L CA 1.821 56.687 54.840 0.045 0.000 0.751 236 L CB 0.029 42.134 42.059 0.076 0.000 0.889 236 L HN 0.324 nan 8.230 nan 0.000 0.432 237 E N -0.254 119.971 120.200 0.042 0.000 2.097 237 E HA -0.321 4.029 4.350 0.000 0.000 0.196 237 E C 1.900 178.509 176.600 0.015 0.000 1.000 237 E CA 1.592 58.017 56.400 0.043 0.000 0.804 237 E CB -0.232 29.486 29.700 0.031 0.000 0.740 237 E HN 0.594 nan 8.360 nan 0.000 0.454 238 E N 0.544 120.731 120.200 -0.022 0.000 2.150 238 E HA -0.110 4.240 4.350 0.000 0.000 0.193 238 E C 2.034 178.578 176.600 -0.093 0.000 0.985 238 E CA 0.766 57.136 56.400 -0.049 0.000 0.814 238 E CB 0.333 29.996 29.700 -0.061 0.000 0.752 238 E HN 0.020 nan 8.360 nan 0.000 0.466 239 V N 0.210 120.026 119.914 -0.163 0.000 2.446 239 V HA 0.000 4.120 4.120 0.000 0.000 0.244 239 V C 0.669 176.517 176.094 -0.409 0.000 1.039 239 V CA 0.952 63.043 62.300 -0.348 0.000 1.045 239 V CB -0.135 31.357 31.823 -0.551 0.000 0.681 239 V HN 0.100 nan 8.190 nan 0.000 0.459 240 F N 0.463 120.405 119.950 -0.015 0.000 2.469 240 F HA 0.486 5.013 4.527 0.000 0.000 0.332 240 F C 0.854 176.650 175.800 -0.007 0.000 1.103 240 F CA -0.750 57.241 58.000 -0.014 0.000 0.979 240 F CB 1.574 40.564 39.000 -0.016 0.000 1.137 240 F HN -0.023 nan 8.300 nan 0.000 0.463 241 S N 1.002 116.825 115.700 0.205 0.000 2.608 241 S HA 0.064 4.534 4.470 0.000 0.000 0.261 241 S C 1.130 175.789 174.600 0.097 0.000 1.314 241 S CA -0.384 57.882 58.200 0.110 0.000 0.992 241 S CB 1.224 64.472 63.200 0.080 0.000 0.935 241 S HN 0.881 nan 8.310 nan 0.000 0.564 242 E N 0.610 120.848 120.200 0.064 0.000 2.077 242 E HA -0.198 4.152 4.350 0.000 0.000 0.193 242 E C 2.069 178.691 176.600 0.037 0.000 0.989 242 E CA 1.419 57.849 56.400 0.050 0.000 0.800 242 E CB -0.225 29.498 29.700 0.038 0.000 0.746 242 E HN 0.568 nan 8.360 nan 0.000 0.452 243 K N 0.504 120.924 120.400 0.034 0.000 2.057 243 K HA -0.186 4.134 4.320 0.000 0.000 0.207 243 K C 1.877 178.482 176.600 0.009 0.000 1.049 243 K CA 1.906 58.205 56.287 0.021 0.000 0.931 243 K CB -0.406 32.107 32.500 0.023 0.000 0.714 243 K HN 0.430 nan 8.250 nan 0.000 0.440 244 E N 0.059 120.270 120.200 0.018 0.000 2.051 244 E HA -0.082 4.268 4.350 0.000 0.000 0.192 244 E C 2.224 178.757 176.600 -0.112 0.000 0.991 244 E CA 1.708 58.088 56.400 -0.034 0.000 0.799 244 E CB -0.216 29.515 29.700 0.052 0.000 0.748 244 E HN 0.336 nan 8.360 nan 0.000 0.449 245 L N 1.319 122.513 121.223 -0.049 0.000 2.131 245 L HA -0.193 4.147 4.340 0.000 0.000 0.210 245 L C 1.979 178.830 176.870 -0.031 0.000 1.092 245 L CA 0.597 55.403 54.840 -0.057 0.000 0.759 245 L CB -0.374 41.702 42.059 0.028 0.000 0.903 245 L HN 0.168 nan 8.230 nan 0.000 0.435 246 N N 0.174 118.868 118.700 -0.009 0.000 2.216 246 N HA -0.116 4.624 4.740 0.000 0.000 0.183 246 N C 1.902 177.413 175.510 0.002 0.000 1.017 246 N CA 1.031 54.084 53.050 0.006 0.000 0.861 246 N CB -0.148 38.345 38.487 0.010 0.000 0.986 246 N HN 0.346 nan 8.380 nan 0.000 0.428 247 R N 0.538 121.026 120.500 -0.019 0.000 2.092 247 R HA 0.099 4.439 4.340 0.000 0.000 0.231 247 R C 2.234 178.534 176.300 -0.000 0.000 1.119 247 R CA 0.722 56.815 56.100 -0.012 0.000 0.970 247 R CB -0.212 30.066 30.300 -0.038 0.000 0.864 247 R HN 0.228 nan 8.270 nan 0.000 0.440 248 I N 1.055 121.583 120.570 -0.071 0.000 2.202 248 I HA -0.273 3.897 4.170 0.000 0.000 0.242 248 I C 2.083 178.245 176.117 0.074 0.000 1.091 248 I CA 1.411 62.672 61.300 -0.064 0.000 1.368 248 I CB -0.250 37.612 38.000 -0.229 0.000 1.058 248 I HN 0.114 nan 8.210 nan 0.000 0.410 249 K N 0.450 120.879 120.400 0.049 0.000 2.074 249 K HA -0.261 4.059 4.320 0.000 0.000 0.209 249 K C 2.247 178.910 176.600 0.105 0.000 1.048 249 K CA 1.574 57.914 56.287 0.088 0.000 0.926 249 K CB -0.270 32.275 32.500 0.074 0.000 0.713 249 K HN 0.078 nan 8.250 nan 0.000 0.444 250 R N 0.539 121.090 120.500 0.085 0.000 2.081 250 R HA -0.182 4.158 4.340 0.000 0.000 0.235 250 R C 1.859 178.211 176.300 0.086 0.000 1.131 250 R CA 1.645 57.785 56.100 0.068 0.000 0.960 250 R CB -0.766 29.564 30.300 0.051 0.000 0.856 250 R HN 0.403 nan 8.270 nan 0.000 0.436 251 W N -0.184 121.094 121.300 -0.036 0.000 2.355 251 W HA -0.203 4.457 4.660 -0.000 0.000 0.309 251 W C 2.046 178.560 176.519 -0.010 0.000 1.206 251 W CA 1.724 59.044 57.345 -0.043 0.000 1.284 251 W CB -0.583 28.826 29.460 -0.084 0.000 1.145 251 W HN 0.147 nan 8.180 nan 0.000 0.502 252 C N -0.133 119.351 119.300 0.306 0.000 2.432 252 C HA -0.198 4.262 4.460 0.000 0.000 0.277 252 C C 2.674 177.701 174.990 0.062 0.000 1.249 252 C CA 1.207 60.345 59.018 0.200 0.000 1.725 252 C CB -1.540 26.356 27.740 0.260 0.000 2.028 252 C HN 0.447 nan 8.230 nan 0.000 0.477 253 I N 0.450 121.067 120.570 0.079 0.000 2.756 253 I HA -0.137 4.033 4.170 0.000 0.000 0.262 253 I C 2.009 178.101 176.117 -0.041 0.000 1.225 253 I CA 1.082 62.429 61.300 0.077 0.000 1.472 253 I CB -0.070 37.981 38.000 0.086 0.000 1.094 253 I HN 0.269 nan 8.210 nan 0.000 0.454 254 M N -0.292 119.227 119.600 -0.136 0.000 2.619 254 M HA -0.007 4.473 4.480 0.000 0.000 0.251 254 M C 1.732 177.864 176.300 -0.280 0.000 1.106 254 M CA 0.820 55.994 55.300 -0.210 0.000 1.086 254 M CB -0.819 31.633 32.600 -0.247 0.000 1.465 254 M HN 0.155 nan 8.290 nan 0.000 0.506 255 R N 0.403 120.741 120.500 -0.270 0.000 2.189 255 R HA 0.022 4.362 4.340 0.000 0.000 0.218 255 R C 0.930 176.941 176.300 -0.482 0.000 1.074 255 R CA 0.221 56.160 56.100 -0.268 0.000 0.991 255 R CB -0.663 29.603 30.300 -0.057 0.000 0.883 255 R HN 0.542 nan 8.270 nan 0.000 0.457 256 Q N 1.103 120.609 119.800 -0.490 0.000 2.296 256 Q HA -0.013 4.327 4.340 0.000 0.000 0.262 256 Q C 0.196 175.847 176.000 -0.580 0.000 0.981 256 Q CA 0.111 55.404 55.803 -0.851 0.000 0.905 256 Q CB 0.877 29.061 28.738 -0.923 0.000 1.186 256 Q HN -0.018 nan 8.270 nan 0.000 0.399 257 Q N 2.707 122.171 119.800 -0.560 0.000 2.471 257 Q HA 0.126 4.466 4.340 0.000 0.000 0.241 257 Q C 0.179 176.012 176.000 -0.279 0.000 0.886 257 Q CA 1.355 56.929 55.803 -0.382 0.000 0.953 257 Q CB 0.623 29.136 28.738 -0.374 0.000 1.108 257 Q HN 0.887 nan 8.270 nan 0.000 0.575 258 N N -1.018 117.498 118.700 -0.306 0.000 2.529 258 N HA 0.049 4.789 4.740 0.000 0.000 0.328 258 N C 0.762 176.158 175.510 -0.191 0.000 0.606 258 N CA 0.399 53.349 53.050 -0.167 0.000 1.182 258 N CB -0.229 38.222 38.487 -0.060 0.000 1.946 258 N HN 0.096 nan 8.380 nan 0.000 1.584 259 G N -1.021 107.606 108.800 -0.288 0.000 2.606 259 G HA2 0.580 4.540 3.960 0.000 0.000 0.262 259 G HA3 0.580 4.540 3.960 0.000 0.000 0.262 259 G C -1.470 173.241 174.900 -0.314 0.000 1.394 259 G CA -0.336 44.635 45.100 -0.215 0.000 1.044 259 G HN 0.122 nan 8.290 nan 0.000 0.553 260 Y N -0.628 119.612 120.300 -0.100 0.000 2.485 260 Y HA 0.442 4.992 4.550 0.000 0.000 0.345 260 Y C 0.674 176.616 175.900 0.069 0.000 0.998 260 Y CA -0.867 57.202 58.100 -0.052 0.000 1.059 260 Y CB 1.711 40.214 38.460 0.071 0.000 1.234 260 Y HN 0.717 nan 8.280 nan 0.000 0.461 261 H N -1.466 117.613 119.070 0.014 0.000 2.615 261 H HA 0.602 5.158 4.556 0.000 0.000 0.346 261 H C 0.522 175.468 175.328 -0.637 0.000 1.200 261 H CA -0.836 55.135 56.048 -0.128 0.000 1.264 261 H CB 1.918 31.602 29.762 -0.129 0.000 1.699 261 H HN 0.816 nan 8.280 nan 0.000 0.567 262 G N 0.113 108.297 108.800 -1.026 0.000 2.551 262 G HA2 0.066 4.026 3.960 0.000 0.000 0.216 262 G HA3 0.066 4.026 3.960 0.000 0.000 0.216 262 G C 0.235 174.581 174.900 -0.924 0.000 1.137 262 G CA -0.191 43.978 45.100 -1.552 0.000 0.798 262 G HN 0.762 nan 8.290 nan 0.000 0.536 263 R N -1.446 118.596 120.500 -0.764 0.000 2.690 263 R HA 0.380 4.720 4.340 0.000 0.000 0.269 263 R C -3.501 172.295 176.300 -0.841 0.000 1.037 263 R CA -2.011 53.769 56.100 -0.534 0.000 0.877 263 R CB 0.254 30.440 30.300 -0.190 0.000 1.255 263 R HN -0.243 nan 8.270 nan 0.000 0.467 264 P HA -0.082 nan 4.420 nan 0.000 0.263 264 P C -0.525 176.624 177.300 -0.251 0.000 1.175 264 P CA 0.469 63.362 63.100 -0.345 0.000 0.761 264 P CB 0.222 31.845 31.700 -0.129 0.000 0.794 265 N N -0.575 118.053 118.700 -0.120 0.000 2.741 265 N HA -0.175 4.565 4.740 0.000 0.000 0.251 265 N C -0.368 175.112 175.510 -0.050 0.000 1.112 265 N CA 1.311 54.335 53.050 -0.042 0.000 0.750 265 N CB -0.744 37.727 38.487 -0.026 0.000 1.119 265 N HN 0.498 nan 8.380 nan 0.000 0.561 266 K N 0.445 120.778 120.400 -0.112 0.000 2.267 266 K HA 0.477 4.797 4.320 0.000 0.000 0.246 266 K C -2.225 174.433 176.600 0.095 0.000 0.954 266 K CA -1.466 54.802 56.287 -0.032 0.000 0.824 266 K CB 2.053 34.500 32.500 -0.089 0.000 1.167 266 K HN -0.100 nan 8.250 nan 0.000 0.431 267 P HA -0.009 nan 4.420 nan 0.000 0.269 267 P C 0.196 177.648 177.300 0.253 0.000 1.215 267 P CA -0.401 62.767 63.100 0.113 0.000 0.780 267 P CB 0.502 32.189 31.700 -0.021 0.000 0.898 268 V N -0.811 119.193 119.914 0.149 0.000 2.924 268 V HA 0.420 4.540 4.120 0.000 0.000 0.305 268 V C -0.064 176.277 176.094 0.411 0.000 1.073 268 V CA -0.056 62.332 62.300 0.146 0.000 1.098 268 V CB 0.704 32.353 31.823 -0.289 0.000 1.000 268 V HN 0.628 nan 8.190 nan 0.000 0.484 269 D N 1.739 122.427 120.400 0.479 0.000 2.970 269 D HA 0.319 4.959 4.640 0.000 0.000 0.230 269 D C 0.786 177.330 176.300 0.407 0.000 1.276 269 D CA 0.012 54.311 54.000 0.498 0.000 0.910 269 D CB 2.203 43.278 40.800 0.458 0.000 1.590 269 D HN 0.637 nan 8.370 nan 0.000 0.551 270 T N 1.886 116.737 114.554 0.496 0.000 2.680 270 T HA -0.241 4.109 4.350 0.000 0.000 0.268 270 T C 2.012 176.791 174.700 0.132 0.000 1.033 270 T CA 2.373 64.706 62.100 0.388 0.000 1.152 270 T CB -0.642 68.409 68.868 0.305 0.000 0.859 270 T HN 0.781 nan 8.240 nan 0.000 0.452 271 C N 0.433 119.741 119.300 0.014 0.000 2.410 271 C HA -0.069 4.391 4.460 0.000 0.000 0.281 271 C C 2.217 176.981 174.990 -0.376 0.000 1.318 271 C CA -0.130 58.695 59.018 -0.321 0.000 1.776 271 C CB -2.067 25.366 27.740 -0.512 0.000 1.942 271 C HN 0.502 nan 8.230 nan 0.000 0.508 272 Y N 2.004 122.391 120.300 0.145 0.000 2.509 272 Y HA 0.004 4.554 4.550 0.000 0.000 0.293 272 Y C 2.854 178.688 175.900 -0.109 0.000 1.133 272 Y CA 1.222 59.405 58.100 0.139 0.000 1.283 272 Y CB -0.878 37.717 38.460 0.225 0.000 1.001 272 Y HN 0.350 nan 8.280 nan 0.000 0.555 273 S N -0.410 115.291 115.700 0.002 0.000 2.442 273 S HA -0.165 4.305 4.470 0.000 0.000 0.236 273 S C 1.695 176.090 174.600 -0.342 0.000 1.007 273 S CA 1.203 59.302 58.200 -0.168 0.000 0.965 273 S CB -0.392 62.817 63.200 0.015 0.000 0.773 273 S HN 0.543 nan 8.310 nan 0.000 0.504 274 F N 0.062 119.727 119.950 -0.475 0.000 2.315 274 F HA 0.201 4.728 4.527 0.000 0.000 0.284 274 F C 1.616 177.070 175.800 -0.576 0.000 1.049 274 F CA 0.099 57.736 58.000 -0.604 0.000 1.323 274 F CB -0.708 37.850 39.000 -0.738 0.000 1.113 274 F HN 0.165 nan 8.300 nan 0.000 0.544 275 W N 0.486 121.417 121.300 -0.614 0.000 2.301 275 W HA -0.250 4.410 4.660 -0.000 0.000 0.325 275 W C 2.351 178.645 176.519 -0.376 0.000 1.250 275 W CA 1.630 58.611 57.345 -0.607 0.000 1.261 275 W CB -0.950 28.404 29.460 -0.176 0.000 1.157 275 W HN -0.160 nan 8.180 nan 0.000 0.473 276 V N 0.241 120.158 119.914 0.005 0.000 2.407 276 V HA -0.094 4.026 4.120 0.000 0.000 0.245 276 V C 2.369 178.301 176.094 -0.270 0.000 1.041 276 V CA 1.920 64.188 62.300 -0.053 0.000 1.040 276 V CB -1.566 30.251 31.823 -0.010 0.000 0.671 276 V HN 0.388 nan 8.190 nan 0.000 0.455 277 G N 0.078 108.532 108.800 -0.577 0.000 2.440 277 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 277 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 277 G C 1.740 176.229 174.900 -0.686 0.000 1.154 277 G CA 1.154 45.852 45.100 -0.669 0.000 0.767 277 G HN 0.598 nan 8.290 nan 0.000 0.552 278 A N 0.010 122.391 122.820 -0.731 0.000 1.969 278 A HA 0.035 4.355 4.320 0.000 0.000 0.218 278 A C 2.517 179.984 177.584 -0.195 0.000 1.169 278 A CA 2.331 54.008 52.037 -0.601 0.000 0.635 278 A CB -0.747 17.592 19.000 -1.102 0.000 0.810 278 A HN 0.301 nan 8.150 nan 0.000 0.445 279 T N 0.521 115.038 114.554 -0.063 0.000 2.737 279 T HA -0.071 4.279 4.350 0.000 0.000 0.265 279 T C 1.802 176.521 174.700 0.031 0.000 1.038 279 T CA 1.436 63.569 62.100 0.054 0.000 1.144 279 T CB -0.383 68.557 68.868 0.119 0.000 0.866 279 T HN 0.377 nan 8.240 nan 0.000 0.434 280 L N 0.719 121.963 121.223 0.035 0.000 2.079 280 L HA -0.128 4.212 4.340 0.000 0.000 0.210 280 L C 2.614 179.557 176.870 0.123 0.000 1.081 280 L CA 1.188 56.108 54.840 0.133 0.000 0.752 280 L CB -0.442 41.785 42.059 0.280 0.000 0.896 280 L HN 0.173 nan 8.230 nan 0.000 0.433 281 K N 0.886 121.290 120.400 0.007 0.000 2.057 281 K HA -0.143 4.177 4.320 0.000 0.000 0.207 281 K C 1.938 178.545 176.600 0.011 0.000 1.049 281 K CA 1.530 57.816 56.287 -0.002 0.000 0.931 281 K CB -0.356 32.035 32.500 -0.180 0.000 0.714 281 K HN 0.180 nan 8.250 nan 0.000 0.440 282 L N 0.255 121.478 121.223 -0.000 0.000 2.141 282 L HA -0.070 4.270 4.340 0.000 0.000 0.209 282 L C 1.741 178.634 176.870 0.039 0.000 1.094 282 L CA 0.787 55.636 54.840 0.016 0.000 0.763 282 L CB -0.233 41.834 42.059 0.013 0.000 0.908 282 L HN 0.160 nan 8.230 nan 0.000 0.437 283 L N -0.655 120.601 121.223 0.056 0.000 2.612 283 L HA 0.028 4.368 4.340 0.000 0.000 0.230 283 L C 0.568 177.489 176.870 0.085 0.000 1.140 283 L CA -0.063 54.819 54.840 0.071 0.000 0.896 283 L CB -0.177 41.928 42.059 0.077 0.000 1.065 283 L HN 0.143 nan 8.230 nan 0.000 0.447 284 K N 0.497 120.943 120.400 0.077 0.000 3.069 284 K HA -0.197 4.123 4.320 0.000 0.000 0.267 284 K C 0.560 177.207 176.600 0.077 0.000 1.082 284 K CA 1.063 57.392 56.287 0.069 0.000 0.782 284 K CB -1.329 31.207 32.500 0.061 0.000 1.230 284 K HN 0.655 nan 8.250 nan 0.000 0.488 285 I N -4.627 116.017 120.570 0.123 0.000 4.160 285 I HA 0.231 4.401 4.170 0.000 0.000 0.325 285 I C 1.169 177.370 176.117 0.140 0.000 1.455 285 I CA -0.696 60.697 61.300 0.155 0.000 1.142 285 I CB 0.152 38.335 38.000 0.305 0.000 1.262 285 I HN -0.006 nan 8.210 nan 0.000 0.483 286 F N 3.346 123.305 119.950 0.015 0.000 2.293 286 F HA -0.160 4.367 4.527 0.000 0.000 0.300 286 F C 2.539 178.420 175.800 0.134 0.000 1.086 286 F CA 2.298 60.346 58.000 0.079 0.000 1.375 286 F CB -0.085 38.937 39.000 0.036 0.000 1.045 286 F HN 0.380 nan 8.300 nan 0.000 0.516 287 Q N -1.251 118.470 119.800 -0.133 0.000 2.297 287 Q HA -0.253 4.087 4.340 0.000 0.000 0.208 287 Q C 1.152 176.871 176.000 -0.469 0.000 0.981 287 Q CA 1.959 57.553 55.803 -0.348 0.000 0.876 287 Q CB -1.094 27.346 28.738 -0.497 0.000 0.921 287 Q HN 0.619 nan 8.270 nan 0.000 0.446 288 Y N 2.131 122.371 120.300 -0.100 0.000 2.466 288 Y HA 0.125 4.675 4.550 0.000 0.000 0.272 288 Y C 1.111 176.944 175.900 -0.112 0.000 1.169 288 Y CA -0.122 57.912 58.100 -0.109 0.000 1.285 288 Y CB 0.478 38.909 38.460 -0.049 0.000 1.078 288 Y HN 0.166 nan 8.280 nan 0.000 0.523 289 T N -1.851 112.684 114.554 -0.032 0.000 2.824 289 T HA 0.074 4.424 4.350 0.000 0.000 0.277 289 T C 0.055 174.754 174.700 -0.002 0.000 0.975 289 T CA -0.978 61.120 62.100 -0.004 0.000 0.966 289 T CB 1.184 70.046 68.868 -0.010 0.000 1.054 289 T HN 0.077 nan 8.240 nan 0.000 0.533 290 N N 0.566 119.288 118.700 0.037 0.000 2.415 290 N HA 0.153 4.893 4.740 0.000 0.000 0.246 290 N C 0.336 175.977 175.510 0.218 0.000 1.078 290 N CA -0.522 52.560 53.050 0.053 0.000 0.942 290 N CB -0.184 38.301 38.487 -0.003 0.000 1.140 290 N HN 0.713 nan 8.380 nan 0.000 0.501 291 F N 1.491 121.387 119.950 -0.090 0.000 2.113 291 F HA -0.119 4.408 4.527 0.000 0.000 0.297 291 F C 2.003 177.810 175.800 0.012 0.000 1.103 291 F CA 0.359 58.333 58.000 -0.044 0.000 1.248 291 F CB 0.338 39.305 39.000 -0.055 0.000 0.999 291 F HN 0.431 nan 8.300 nan 0.000 0.475 292 E N 1.002 121.328 120.200 0.210 0.000 2.058 292 E HA -0.209 4.141 4.350 0.000 0.000 0.194 292 E C 1.916 178.580 176.600 0.107 0.000 0.997 292 E CA 1.276 57.754 56.400 0.129 0.000 0.801 292 E CB -0.508 29.242 29.700 0.084 0.000 0.746 292 E HN 0.424 nan 8.360 nan 0.000 0.450 293 K N 0.627 121.080 120.400 0.088 0.000 2.097 293 K HA -0.134 4.186 4.320 0.000 0.000 0.206 293 K C 2.026 178.697 176.600 0.118 0.000 1.049 293 K CA 1.148 57.481 56.287 0.076 0.000 0.933 293 K CB -0.118 32.395 32.500 0.022 0.000 0.717 293 K HN -0.020 nan 8.250 nan 0.000 0.442 294 N N 1.577 120.355 118.700 0.130 0.000 2.080 294 N HA -0.176 4.564 4.740 0.000 0.000 0.189 294 N C 1.724 177.351 175.510 0.195 0.000 1.036 294 N CA 1.385 54.553 53.050 0.197 0.000 0.846 294 N CB -0.050 38.596 38.487 0.265 0.000 1.015 294 N HN 0.057 nan 8.380 nan 0.000 0.423 295 R N 0.115 120.692 120.500 0.129 0.000 2.083 295 R HA -0.077 4.263 4.340 0.000 0.000 0.237 295 R C 1.497 177.864 176.300 0.112 0.000 1.137 295 R CA 1.727 57.882 56.100 0.090 0.000 0.951 295 R CB -0.258 30.083 30.300 0.067 0.000 0.851 295 R HN 0.277 nan 8.270 nan 0.000 0.434 296 N N -0.173 118.598 118.700 0.119 0.000 2.104 296 N HA -0.220 4.520 4.740 0.000 0.000 0.190 296 N C 1.453 177.029 175.510 0.109 0.000 1.024 296 N CA 1.390 54.504 53.050 0.107 0.000 0.853 296 N CB -0.603 37.942 38.487 0.097 0.000 1.008 296 N HN 0.337 nan 8.380 nan 0.000 0.424 297 Y N 1.637 121.990 120.300 0.088 0.000 2.114 297 Y HA -0.064 4.486 4.550 0.000 0.000 0.284 297 Y C 2.190 178.173 175.900 0.139 0.000 1.143 297 Y CA 1.311 59.474 58.100 0.106 0.000 1.135 297 Y CB -0.444 38.077 38.460 0.102 0.000 0.980 297 Y HN -0.042 nan 8.280 nan 0.000 0.499 298 I N -0.026 120.605 120.570 0.100 0.000 2.118 298 I HA -0.386 3.784 4.170 0.000 0.000 0.241 298 I C 2.361 178.549 176.117 0.118 0.000 1.070 298 I CA 1.727 63.059 61.300 0.053 0.000 1.327 298 I CB -0.638 37.371 38.000 0.016 0.000 1.034 298 I HN 0.276 nan 8.210 nan 0.000 0.405 299 L N 0.570 121.884 121.223 0.151 0.000 2.191 299 L HA -0.180 4.160 4.340 0.000 0.000 0.212 299 L C 2.702 179.618 176.870 0.077 0.000 1.103 299 L CA 1.537 56.509 54.840 0.220 0.000 0.769 299 L CB -0.658 41.505 42.059 0.174 0.000 0.908 299 L HN 0.404 nan 8.230 nan 0.000 0.438 300 S N -1.523 114.148 115.700 -0.048 0.000 2.507 300 S HA -0.116 4.354 4.470 0.000 0.000 0.235 300 S C 1.674 176.206 174.600 -0.114 0.000 0.988 300 S CA 1.079 59.220 58.200 -0.098 0.000 0.944 300 S CB -0.623 62.487 63.200 -0.149 0.000 0.762 300 S HN 0.562 nan 8.310 nan 0.000 0.526 301 T N -1.806 112.690 114.554 -0.098 0.000 3.105 301 T HA 0.257 4.607 4.350 0.000 0.000 0.253 301 T C 0.301 175.006 174.700 0.008 0.000 1.047 301 T CA -0.519 61.567 62.100 -0.023 0.000 0.944 301 T CB -0.221 68.653 68.868 0.009 0.000 1.016 301 T HN 0.467 nan 8.240 nan 0.000 0.544 302 Q N 1.791 121.546 119.800 -0.075 0.000 2.304 302 Q HA 0.113 4.453 4.340 0.000 0.000 0.260 302 Q C -0.823 175.005 176.000 -0.287 0.000 0.965 302 Q CA -0.376 55.173 55.803 -0.424 0.000 0.898 302 Q CB 0.591 29.108 28.738 -0.367 0.000 1.196 302 Q HN 0.270 nan 8.270 nan 0.000 0.402 303 D N 3.922 124.120 120.400 -0.337 0.000 2.411 303 D HA 0.077 4.717 4.640 0.000 0.000 0.225 303 D C 0.355 176.513 176.300 -0.235 0.000 1.156 303 D CA -0.021 53.853 54.000 -0.210 0.000 0.874 303 D CB 0.594 41.292 40.800 -0.170 0.000 1.034 303 D HN 0.604 nan 8.370 nan 0.000 0.502 304 R N 2.631 123.021 120.500 -0.184 0.000 2.237 304 R HA -0.052 4.288 4.340 0.000 0.000 0.219 304 R C 1.604 177.806 176.300 -0.163 0.000 1.080 304 R CA 0.224 56.211 56.100 -0.189 0.000 0.995 304 R CB 0.378 30.599 30.300 -0.132 0.000 0.875 304 R HN 0.443 nan 8.270 nan 0.000 0.462 305 L N 0.517 121.665 121.223 -0.124 0.000 2.185 305 L HA 0.005 4.345 4.340 0.000 0.000 0.198 305 L C 2.039 178.854 176.870 -0.092 0.000 1.079 305 L CA 1.429 56.213 54.840 -0.094 0.000 0.780 305 L CB -0.336 41.687 42.059 -0.059 0.000 0.955 305 L HN 0.101 nan 8.230 nan 0.000 0.462 306 V N -1.590 118.282 119.914 -0.071 0.000 3.590 306 V HA 0.476 4.596 4.120 0.000 0.000 0.265 306 V C 0.889 176.995 176.094 0.021 0.000 1.239 306 V CA 0.594 62.887 62.300 -0.011 0.000 1.117 306 V CB -0.289 31.563 31.823 0.048 0.000 0.818 306 V HN 0.621 nan 8.190 nan 0.000 0.451 307 G N -0.731 107.976 108.800 -0.155 0.000 2.710 307 G HA2 0.401 4.361 3.960 0.000 0.000 0.668 307 G HA3 0.401 4.361 3.960 0.000 0.000 0.668 307 G C 0.526 175.088 174.900 -0.564 0.000 1.320 307 G CA -0.294 44.622 45.100 -0.307 0.000 0.860 307 G HN 2.444 nan 8.290 nan 0.000 0.538 308 G N -2.069 106.343 108.800 -0.645 0.000 2.828 308 G HA2 0.350 4.311 3.960 0.000 0.000 0.463 308 G HA3 0.350 4.311 3.960 0.000 0.000 0.463 308 G C -0.388 174.021 174.900 -0.818 0.000 1.394 308 G CA 0.332 44.684 45.100 -1.247 0.000 0.862 308 G HN 1.807 nan 8.290 nan 0.000 0.540 309 F N -0.006 119.658 119.950 -0.476 0.000 2.593 309 F HA 0.841 5.368 4.527 0.000 0.000 0.320 309 F C 0.853 176.572 175.800 -0.135 0.000 1.060 309 F CA 0.052 57.917 58.000 -0.225 0.000 0.940 309 F CB 2.075 40.975 39.000 -0.166 0.000 1.268 309 F HN 0.993 nan 8.300 nan 0.000 0.475 310 A N 1.071 123.948 122.820 0.094 0.000 2.344 310 A HA 0.534 4.854 4.320 0.000 0.000 0.307 310 A C 0.802 178.315 177.584 -0.119 0.000 1.151 310 A CA -0.623 51.388 52.037 -0.044 0.000 0.842 310 A CB 1.331 20.310 19.000 -0.036 0.000 1.350 310 A HN 0.863 nan 8.150 nan 0.000 0.459 311 K N -0.930 119.160 120.400 -0.516 0.000 2.103 311 K HA -0.015 4.305 4.320 0.000 0.000 0.204 311 K C -0.446 176.084 176.600 -0.117 0.000 1.052 311 K CA 0.697 56.654 56.287 -0.551 0.000 0.945 311 K CB 0.004 31.803 32.500 -1.169 0.000 0.722 311 K HN 0.593 nan 8.250 nan 0.000 0.443 312 W N 1.741 123.090 121.300 0.081 0.000 2.902 312 W HA 0.407 5.067 4.660 0.000 0.000 0.346 312 W C -2.626 173.914 176.519 0.035 0.000 1.139 312 W CA -3.142 54.289 57.345 0.142 0.000 1.139 312 W CB 0.145 29.680 29.460 0.126 0.000 1.439 312 W HN -0.187 nan 8.180 nan 0.000 0.558 313 P HA 0.144 nan 4.420 nan 0.000 0.271 313 P C 0.276 177.645 177.300 0.114 0.000 1.218 313 P CA 1.258 64.414 63.100 0.094 0.000 0.780 313 P CB 0.284 32.008 31.700 0.039 0.000 0.901 314 D N -1.282 119.157 120.400 0.066 0.000 2.870 314 D HA -0.161 4.479 4.640 0.000 0.000 0.228 314 D C 0.175 176.516 176.300 0.069 0.000 1.147 314 D CA 1.272 55.308 54.000 0.060 0.000 0.757 314 D CB -1.945 38.884 40.800 0.049 0.000 1.091 314 D HN 0.558 nan 8.370 nan 0.000 0.429 315 S N -2.293 113.457 115.700 0.084 0.000 2.648 315 S HA 0.623 5.093 4.470 0.000 0.000 0.305 315 S C -0.354 174.296 174.600 0.084 0.000 1.094 315 S CA -0.392 57.838 58.200 0.050 0.000 0.983 315 S CB 1.139 64.402 63.200 0.106 0.000 1.101 315 S HN 0.540 nan 8.310 nan 0.000 0.514 316 H N 2.420 121.507 119.070 0.028 0.000 2.683 316 H HA 0.275 4.831 4.556 0.000 0.000 0.339 316 H C -1.885 173.453 175.328 0.016 0.000 1.081 316 H CA -1.538 54.529 56.048 0.033 0.000 1.432 316 H CB 0.667 30.466 29.762 0.062 0.000 1.462 316 H HN 0.448 nan 8.280 nan 0.000 0.557 317 P HA 0.057 nan 4.420 nan 0.000 0.276 317 P C -1.043 176.378 177.300 0.202 0.000 1.244 317 P CA -0.351 62.787 63.100 0.064 0.000 0.801 317 P CB 1.436 33.074 31.700 -0.104 0.000 1.006 318 D N -1.449 119.077 120.400 0.209 0.000 2.583 318 D HA 0.452 5.092 4.640 0.000 0.000 0.248 318 D C 0.825 177.331 176.300 0.344 0.000 1.209 318 D CA -0.975 53.228 54.000 0.338 0.000 0.848 318 D CB 0.481 41.451 40.800 0.285 0.000 1.431 318 D HN 0.165 nan 8.370 nan 0.000 0.436 319 A N 0.524 123.579 122.820 0.391 0.000 1.908 319 A HA -0.150 4.170 4.320 0.000 0.000 0.218 319 A C 1.978 179.550 177.584 -0.021 0.000 1.181 319 A CA 1.656 53.927 52.037 0.389 0.000 0.627 319 A CB -0.970 18.277 19.000 0.412 0.000 0.818 319 A HN 0.652 nan 8.150 nan 0.000 0.445 320 L N -1.599 119.472 121.223 -0.253 0.000 2.027 320 L HA -0.184 4.156 4.340 0.000 0.000 0.206 320 L C 2.444 179.030 176.870 -0.474 0.000 1.074 320 L CA 2.147 56.475 54.840 -0.852 0.000 0.745 320 L CB -0.354 41.479 42.059 -0.376 0.000 0.898 320 L HN 0.532 nan 8.230 nan 0.000 0.433 321 H N -0.693 118.316 119.070 -0.103 0.000 2.495 321 H HA 0.053 4.609 4.556 0.000 0.000 0.287 321 H C 2.117 177.401 175.328 -0.073 0.000 1.033 321 H CA 0.988 57.008 56.048 -0.048 0.000 1.307 321 H CB -0.078 29.677 29.762 -0.013 0.000 1.401 321 H HN 0.509 nan 8.280 nan 0.000 0.555 322 A N 0.174 123.016 122.820 0.037 0.000 1.872 322 A HA -0.198 4.122 4.320 0.000 0.000 0.214 322 A C 2.050 179.672 177.584 0.063 0.000 1.187 322 A CA 1.354 53.427 52.037 0.060 0.000 0.614 322 A CB -0.868 18.007 19.000 -0.208 0.000 0.826 322 A HN 0.509 nan 8.150 nan 0.000 0.442 323 Y N -0.448 119.770 120.300 -0.136 0.000 2.145 323 Y HA -0.177 4.373 4.550 0.000 0.000 0.286 323 Y C 1.904 177.438 175.900 -0.609 0.000 1.145 323 Y CA 1.721 59.584 58.100 -0.394 0.000 1.148 323 Y CB -0.562 37.442 38.460 -0.761 0.000 0.981 323 Y HN 0.289 nan 8.280 nan 0.000 0.507 324 F N -0.442 119.142 119.950 -0.610 0.000 2.325 324 F HA -0.003 4.524 4.527 0.000 0.000 0.299 324 F C 2.523 177.943 175.800 -0.632 0.000 1.090 324 F CA 0.663 58.192 58.000 -0.784 0.000 1.392 324 F CB -0.567 37.988 39.000 -0.742 0.000 1.053 324 F HN 0.148 nan 8.300 nan 0.000 0.521 325 G N 0.364 108.890 108.800 -0.456 0.000 2.408 325 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 325 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 325 G C 1.668 176.102 174.900 -0.776 0.000 1.150 325 G CA 0.602 45.281 45.100 -0.701 0.000 0.776 325 G HN 0.319 nan 8.290 nan 0.000 0.542 326 I N 0.298 120.454 120.570 -0.690 0.000 2.252 326 I HA -0.158 4.012 4.170 0.000 0.000 0.245 326 I C 2.636 178.469 176.117 -0.474 0.000 1.102 326 I CA 0.516 61.524 61.300 -0.487 0.000 1.385 326 I CB -0.142 37.731 38.000 -0.213 0.000 1.064 326 I HN 0.174 nan 8.210 nan 0.000 0.414 327 C N 0.761 119.699 119.300 -0.603 0.000 2.432 327 C HA -0.058 4.402 4.460 0.000 0.000 0.280 327 C C 2.891 177.718 174.990 -0.272 0.000 1.353 327 C CA 0.913 59.618 59.018 -0.520 0.000 1.766 327 C CB -1.676 25.526 27.740 -0.896 0.000 1.924 327 C HN 0.664 nan 8.230 nan 0.000 0.509 328 G N 0.262 108.894 108.800 -0.281 0.000 2.402 328 G HA2 -0.121 3.839 3.960 0.000 0.000 0.216 328 G HA3 -0.121 3.839 3.960 0.000 0.000 0.216 328 G C 1.413 176.166 174.900 -0.245 0.000 1.162 328 G CA 0.526 45.491 45.100 -0.225 0.000 0.777 328 G HN 0.335 nan 8.290 nan 0.000 0.539 329 L N 1.312 122.356 121.223 -0.298 0.000 2.046 329 L HA -0.007 4.333 4.340 0.000 0.000 0.208 329 L C 3.072 179.786 176.870 -0.260 0.000 1.077 329 L CA 1.893 56.559 54.840 -0.289 0.000 0.747 329 L CB -1.061 40.755 42.059 -0.406 0.000 0.896 329 L HN 0.338 nan 8.230 nan 0.000 0.432 330 S N -0.806 114.736 115.700 -0.263 0.000 2.383 330 S HA -0.187 4.283 4.470 0.000 0.000 0.229 330 S C 2.042 176.544 174.600 -0.163 0.000 1.030 330 S CA 0.912 58.993 58.200 -0.199 0.000 1.002 330 S CB -0.183 62.902 63.200 -0.191 0.000 0.829 330 S HN 0.253 nan 8.310 nan 0.000 0.467 331 L N 1.027 122.122 121.223 -0.212 0.000 2.127 331 L HA 0.101 4.441 4.340 0.000 0.000 0.211 331 L C 2.104 178.911 176.870 -0.105 0.000 1.089 331 L CA 1.748 56.431 54.840 -0.262 0.000 0.757 331 L CB -0.764 40.925 42.059 -0.616 0.000 0.899 331 L HN 0.482 nan 8.230 nan 0.000 0.434 332 M N -1.591 117.910 119.600 -0.164 0.000 2.419 332 M HA 0.111 4.591 4.480 0.000 0.000 0.252 332 M C -0.160 176.116 176.300 -0.040 0.000 1.143 332 M CA 0.043 55.209 55.300 -0.225 0.000 0.985 332 M CB 0.203 32.495 32.600 -0.513 0.000 1.489 332 M HN 0.055 nan 8.290 nan 0.000 0.484 333 E N 1.520 121.690 120.200 -0.050 0.000 2.257 333 E HA -0.180 4.170 4.350 0.000 0.000 0.217 333 E C -0.150 176.421 176.600 -0.049 0.000 1.248 333 E CA 0.159 56.541 56.400 -0.030 0.000 0.691 333 E CB -0.964 28.752 29.700 0.027 0.000 1.185 333 E HN 0.407 nan 8.360 nan 0.000 0.377 334 E N 0.861 120.991 120.200 -0.118 0.000 2.452 334 E HA 0.045 4.395 4.350 0.000 0.000 0.261 334 E C -0.297 176.240 176.600 -0.105 0.000 0.987 334 E CA 0.268 56.576 56.400 -0.154 0.000 0.926 334 E CB 0.831 30.330 29.700 -0.335 0.000 0.934 334 E HN 0.178 nan 8.360 nan 0.000 0.452 335 S N 3.556 119.229 115.700 -0.046 0.000 2.506 335 S HA 0.363 4.833 4.470 0.000 0.000 0.291 335 S C 0.860 175.478 174.600 0.030 0.000 1.230 335 S CA 0.823 59.026 58.200 0.006 0.000 1.107 335 S CB -0.749 62.474 63.200 0.037 0.000 0.942 335 S HN 0.930 nan 8.310 nan 0.000 0.502 336 G N 4.160 112.980 108.800 0.035 0.000 2.184 336 G HA2 -0.144 3.816 3.960 0.000 0.000 0.206 336 G HA3 -0.144 3.816 3.960 0.000 0.000 0.206 336 G C -0.099 174.846 174.900 0.075 0.000 0.995 336 G CA -0.095 45.058 45.100 0.089 0.000 0.651 336 G HN 0.717 nan 8.290 nan 0.000 0.511 337 I N 1.130 121.691 120.570 -0.016 0.000 2.466 337 I HA 0.329 4.499 4.170 0.000 0.000 0.289 337 I C 0.963 177.054 176.117 -0.044 0.000 1.026 337 I CA -1.173 60.102 61.300 -0.043 0.000 1.078 337 I CB 1.729 39.627 38.000 -0.170 0.000 1.249 337 I HN 0.095 nan 8.210 nan 0.000 0.429 338 C N 3.414 122.700 119.300 -0.023 0.000 2.741 338 C HA 0.044 4.504 4.460 0.000 0.000 0.403 338 C C 1.035 176.003 174.990 -0.037 0.000 1.282 338 C CA -0.657 58.349 59.018 -0.019 0.000 2.053 338 C CB -0.306 27.430 27.740 -0.008 0.000 2.731 338 C HN 0.631 nan 8.230 nan 0.000 0.680 339 K N 1.000 121.389 120.400 -0.019 0.000 2.322 339 K HA 0.330 4.650 4.320 0.000 0.000 0.283 339 K C -0.126 176.473 176.600 -0.003 0.000 1.042 339 K CA -0.303 55.972 56.287 -0.020 0.000 0.958 339 K CB 1.185 33.682 32.500 -0.005 0.000 0.984 339 K HN 0.573 nan 8.250 nan 0.000 0.473 340 V N 3.371 123.278 119.914 -0.012 0.000 2.686 340 V HA 0.177 4.297 4.120 0.000 0.000 0.295 340 V C 0.099 176.260 176.094 0.111 0.000 1.057 340 V CA -0.560 61.766 62.300 0.043 0.000 1.012 340 V CB 1.165 32.994 31.823 0.011 0.000 1.006 340 V HN 0.929 nan 8.190 nan 0.000 0.477 341 H N 8.909 128.038 119.070 0.099 0.000 3.004 341 H HA 0.322 4.878 4.556 0.000 0.000 0.267 341 H C -1.706 173.746 175.328 0.206 0.000 1.165 341 H CA -1.918 54.203 56.048 0.121 0.000 1.450 341 H CB 1.503 31.334 29.762 0.116 0.000 1.488 341 H HN 0.547 nan 8.280 nan 0.000 0.478 342 P HA -0.176 nan 4.420 nan 0.000 0.218 342 P C 0.854 178.440 177.300 0.478 0.000 1.146 342 P CA 1.624 64.882 63.100 0.262 0.000 0.820 342 P CB 0.336 32.046 31.700 0.017 0.000 0.778 343 A N -1.448 121.683 122.820 0.518 0.000 2.085 343 A HA 0.119 4.439 4.320 0.000 0.000 0.208 343 A C 1.973 179.862 177.584 0.507 0.000 1.191 343 A CA 0.257 52.568 52.037 0.458 0.000 0.799 343 A CB -0.854 18.312 19.000 0.277 0.000 0.877 343 A HN 0.129 nan 8.150 nan 0.000 0.473 344 L N -0.618 120.869 121.223 0.441 0.000 2.529 344 L HA 0.230 4.570 4.340 0.000 0.000 0.223 344 L C 0.643 177.760 176.870 0.411 0.000 1.113 344 L CA 0.973 55.907 54.840 0.157 0.000 0.861 344 L CB -0.740 41.084 42.059 -0.392 0.000 1.012 344 L HN 0.547 nan 8.230 nan 0.000 0.461 345 N N -0.518 118.524 118.700 0.570 0.000 2.754 345 N HA -0.177 4.563 4.740 0.000 0.000 0.248 345 N C -0.667 175.118 175.510 0.459 0.000 1.093 345 N CA 1.000 54.389 53.050 0.565 0.000 0.699 345 N CB -1.200 37.741 38.487 0.757 0.000 1.016 345 N HN 0.246 nan 8.380 nan 0.000 0.552 346 V N -3.821 116.282 119.914 0.315 0.000 3.160 346 V HA 0.831 4.951 4.120 0.000 0.000 0.310 346 V C 0.589 176.778 176.094 0.157 0.000 1.181 346 V CA -0.495 61.931 62.300 0.209 0.000 1.047 346 V CB 1.510 33.421 31.823 0.146 0.000 1.068 346 V HN 0.396 nan 8.190 nan 0.000 0.441 347 S N -0.144 115.608 115.700 0.086 0.000 2.576 347 S HA 0.181 4.651 4.470 0.000 0.000 0.276 347 S C 1.417 176.076 174.600 0.100 0.000 1.339 347 S CA 0.354 58.594 58.200 0.066 0.000 1.039 347 S CB 0.921 64.133 63.200 0.020 0.000 0.902 347 S HN 1.724 nan 8.310 nan 0.000 0.516 348 T N 0.170 114.788 114.554 0.107 0.000 2.737 348 T HA -0.277 4.073 4.350 0.000 0.000 0.269 348 T C 1.786 176.535 174.700 0.083 0.000 1.040 348 T CA 1.353 63.530 62.100 0.128 0.000 1.142 348 T CB -0.584 68.334 68.868 0.084 0.000 0.861 348 T HN 0.752 nan 8.240 nan 0.000 0.456 349 R N 1.139 121.668 120.500 0.049 0.000 2.094 349 R HA -0.152 4.188 4.340 0.000 0.000 0.239 349 R C 2.377 178.688 176.300 0.018 0.000 1.137 349 R CA 2.227 58.343 56.100 0.027 0.000 0.943 349 R CB -1.126 29.183 30.300 0.015 0.000 0.850 349 R HN 0.458 nan 8.270 nan 0.000 0.433 350 T N 0.541 115.107 114.554 0.019 0.000 2.788 350 T HA -0.137 4.213 4.350 0.000 0.000 0.268 350 T C 1.897 176.592 174.700 -0.008 0.000 1.044 350 T CA 1.642 63.744 62.100 0.002 0.000 1.139 350 T CB -0.238 68.634 68.868 0.008 0.000 0.867 350 T HN 0.576 nan 8.240 nan 0.000 0.454 351 S N 1.495 117.209 115.700 0.023 0.000 2.383 351 S HA -0.107 4.363 4.470 0.000 0.000 0.227 351 S C 2.108 176.708 174.600 0.001 0.000 1.026 351 S CA 0.999 59.202 58.200 0.006 0.000 0.981 351 S CB -0.396 62.849 63.200 0.075 0.000 0.818 351 S HN 0.443 nan 8.310 nan 0.000 0.472 352 E N 1.193 121.406 120.200 0.022 0.000 2.072 352 E HA -0.024 4.326 4.350 0.000 0.000 0.191 352 E C 2.214 178.784 176.600 -0.050 0.000 0.985 352 E CA 1.043 57.444 56.400 0.002 0.000 0.801 352 E CB -0.538 29.172 29.700 0.017 0.000 0.750 352 E HN 0.693 nan 8.360 nan 0.000 0.452 353 R N -0.107 120.361 120.500 -0.053 0.000 2.120 353 R HA -0.111 4.229 4.340 0.000 0.000 0.234 353 R C 2.464 178.672 176.300 -0.152 0.000 1.123 353 R CA 1.401 57.455 56.100 -0.078 0.000 0.975 353 R CB -0.411 29.858 30.300 -0.053 0.000 0.866 353 R HN 0.290 nan 8.270 nan 0.000 0.446 354 L N 1.044 122.153 121.223 -0.190 0.000 2.093 354 L HA -0.126 4.214 4.340 0.000 0.000 0.208 354 L C 2.795 179.329 176.870 -0.561 0.000 1.085 354 L CA 2.318 56.937 54.840 -0.369 0.000 0.755 354 L CB -0.717 41.153 42.059 -0.316 0.000 0.904 354 L HN 0.106 nan 8.230 nan 0.000 0.435 355 R N -0.301 120.000 120.500 -0.332 0.000 2.073 355 R HA -0.167 4.173 4.340 0.000 0.000 0.234 355 R C 1.939 178.113 176.300 -0.209 0.000 1.134 355 R CA 1.932 57.883 56.100 -0.248 0.000 0.952 355 R CB -1.869 28.380 30.300 -0.085 0.000 0.850 355 R HN 0.569 nan 8.270 nan 0.000 0.433 356 D N 0.722 121.019 120.400 -0.172 0.000 2.104 356 D HA -0.125 4.515 4.640 0.000 0.000 0.194 356 D C 2.060 178.235 176.300 -0.208 0.000 0.994 356 D CA 1.319 55.237 54.000 -0.135 0.000 0.830 356 D CB -0.376 40.368 40.800 -0.093 0.000 0.959 356 D HN 0.349 nan 8.370 nan 0.000 0.452 357 L N 0.401 121.438 121.223 -0.311 0.000 2.013 357 L HA -0.244 4.096 4.340 0.000 0.000 0.212 357 L C 2.440 178.798 176.870 -0.854 0.000 1.073 357 L CA 1.563 56.108 54.840 -0.492 0.000 0.753 357 L CB -0.280 41.486 42.059 -0.487 0.000 0.890 357 L HN 0.229 nan 8.230 nan 0.000 0.432 358 H N -1.526 117.055 119.070 -0.815 0.000 2.353 358 H HA -0.211 4.345 4.556 0.000 0.000 0.300 358 H C 2.452 177.578 175.328 -0.336 0.000 1.090 358 H CA 1.095 56.709 56.048 -0.724 0.000 1.327 358 H CB 0.097 29.608 29.762 -0.418 0.000 1.383 358 H HN 0.518 nan 8.280 nan 0.000 0.508 359 Q N 1.120 120.860 119.800 -0.100 0.000 1.993 359 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 359 Q C 2.521 178.523 176.000 0.004 0.000 0.984 359 Q CA 2.049 57.836 55.803 -0.027 0.000 0.837 359 Q CB -1.254 27.467 28.738 -0.029 0.000 0.902 359 Q HN 0.645 nan 8.270 nan 0.000 0.423 360 S N -0.750 114.931 115.700 -0.032 0.000 2.392 360 S HA -0.213 4.257 4.470 0.000 0.000 0.232 360 S C 1.835 176.559 174.600 0.207 0.000 1.041 360 S CA 1.678 59.914 58.200 0.060 0.000 1.026 360 S CB -0.736 62.494 63.200 0.051 0.000 0.845 360 S HN 0.772 nan 8.310 nan 0.000 0.465 361 W N 2.361 123.682 121.300 0.035 0.000 2.358 361 W HA 0.194 4.854 4.660 0.000 0.000 0.303 361 W C 2.365 178.888 176.519 0.006 0.000 1.208 361 W CA 0.664 58.019 57.345 0.017 0.000 1.274 361 W CB -1.267 28.197 29.460 0.007 0.000 1.138 361 W HN 0.526 nan 8.180 nan 0.000 0.515 362 K N 1.687 122.227 120.400 0.234 0.000 2.978 362 K HA 0.287 4.607 4.320 0.000 0.000 0.261 362 K C 0.312 176.968 176.600 0.093 0.000 1.181 362 K CA 1.114 57.480 56.287 0.131 0.000 1.164 362 K CB -1.666 30.887 32.500 0.089 0.000 1.331 362 K HN 0.310 nan 8.250 nan 0.000 0.266 363 T N 0.000 114.612 114.554 0.096 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.140 62.100 0.067 0.000 1.349 363 T CB 0.000 68.909 68.868 0.068 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658