REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1tnu_1_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 0.000 176.920 176.870 0.084 0.000 1.165 18 L CA 0.000 54.874 54.840 0.057 0.000 0.813 18 L CB 0.000 42.082 42.059 0.039 0.000 0.961 19 D N -0.135 120.316 120.400 0.084 0.000 2.340 19 D HA 0.341 4.981 4.640 0.000 0.000 0.243 19 D C -0.985 175.432 176.300 0.195 0.000 0.988 19 D CA -0.352 53.723 54.000 0.124 0.000 0.959 19 D CB 1.998 42.845 40.800 0.079 0.000 1.226 19 D HN 0.157 nan 8.370 nan 0.000 0.509 20 F N 0.947 120.940 119.950 0.071 0.000 2.375 20 F HA 0.231 4.758 4.527 0.000 0.000 0.362 20 F C -0.236 175.604 175.800 0.067 0.000 1.129 20 F CA -1.201 56.873 58.000 0.124 0.000 1.154 20 F CB 0.334 39.421 39.000 0.144 0.000 1.205 20 F HN 0.099 nan 8.300 nan 0.000 0.513 21 L N 7.717 128.696 121.223 -0.407 0.000 2.650 21 L HA 0.132 4.472 4.340 0.000 0.000 0.239 21 L C 2.016 178.381 176.870 -0.842 0.000 1.412 21 L CA 0.512 55.016 54.840 -0.559 0.000 1.219 21 L CB -1.508 40.214 42.059 -0.562 0.000 1.534 21 L HN 0.690 nan 8.230 nan 0.000 0.430 22 R N 0.438 120.461 120.500 -0.796 0.000 2.159 22 R HA -0.242 4.098 4.340 0.000 0.000 0.249 22 R C 1.293 177.426 176.300 -0.279 0.000 1.136 22 R CA 2.373 58.141 56.100 -0.553 0.000 0.951 22 R CB 0.082 30.312 30.300 -0.117 0.000 0.876 22 R HN 0.493 nan 8.270 nan 0.000 0.440 23 D N -0.458 119.810 120.400 -0.220 0.000 2.144 23 D HA -0.177 4.463 4.640 0.000 0.000 0.199 23 D C 2.032 178.220 176.300 -0.187 0.000 0.984 23 D CA 1.102 55.018 54.000 -0.141 0.000 0.834 23 D CB -0.254 40.480 40.800 -0.110 0.000 0.955 23 D HN 0.187 nan 8.370 nan 0.000 0.465 24 R N 0.470 120.771 120.500 -0.332 0.000 2.091 24 R HA -0.144 4.196 4.340 0.000 0.000 0.238 24 R C 2.168 178.264 176.300 -0.340 0.000 1.136 24 R CA 1.370 57.249 56.100 -0.369 0.000 0.959 24 R CB -0.419 29.556 30.300 -0.541 0.000 0.856 24 R HN 0.319 nan 8.270 nan 0.000 0.437 25 H N -0.929 117.983 119.070 -0.264 0.000 2.428 25 H HA -0.003 4.553 4.556 0.000 0.000 0.296 25 H C 2.023 177.276 175.328 -0.126 0.000 1.062 25 H CA 1.502 57.374 56.048 -0.293 0.000 1.350 25 H CB -0.202 29.391 29.762 -0.281 0.000 1.403 25 H HN 0.075 nan 8.280 nan 0.000 0.533 26 V N 0.901 120.870 119.914 0.092 0.000 2.358 26 V HA -0.203 3.917 4.120 0.000 0.000 0.246 26 V C 2.614 178.779 176.094 0.120 0.000 1.047 26 V CA 1.472 63.877 62.300 0.175 0.000 1.035 26 V CB -0.354 31.534 31.823 0.107 0.000 0.658 26 V HN 0.253 nan 8.190 nan 0.000 0.452 27 R N -1.041 119.478 120.500 0.032 0.000 2.081 27 R HA -0.154 4.186 4.340 0.000 0.000 0.235 27 R C 2.230 178.537 176.300 0.011 0.000 1.131 27 R CA 1.928 58.031 56.100 0.005 0.000 0.960 27 R CB -0.455 29.822 30.300 -0.038 0.000 0.856 27 R HN 0.525 nan 8.270 nan 0.000 0.436 28 F N 0.422 120.276 119.950 -0.161 0.000 2.065 28 F HA -0.270 4.257 4.527 0.000 0.000 0.298 28 F C 1.692 177.397 175.800 -0.157 0.000 1.112 28 F CA 1.719 59.589 58.000 -0.216 0.000 1.212 28 F CB -0.313 38.478 39.000 -0.348 0.000 0.975 28 F HN -0.048 nan 8.300 nan 0.000 0.476 29 F N 0.325 120.440 119.950 0.276 0.000 2.216 29 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 29 F C 2.524 178.310 175.800 -0.023 0.000 1.085 29 F CA 1.120 59.200 58.000 0.133 0.000 1.326 29 F CB -0.599 38.475 39.000 0.124 0.000 1.027 29 F HN 0.053 nan 8.300 nan 0.000 0.497 30 Q N 0.248 120.131 119.800 0.139 0.000 2.030 30 Q HA -0.231 4.109 4.340 0.000 0.000 0.204 30 Q C 2.255 178.221 176.000 -0.057 0.000 0.986 30 Q CA 1.594 57.413 55.803 0.028 0.000 0.843 30 Q CB -0.360 28.382 28.738 0.007 0.000 0.904 30 Q HN 0.391 nan 8.270 nan 0.000 0.420 31 R N -0.039 120.388 120.500 -0.120 0.000 2.105 31 R HA -0.136 4.204 4.340 0.000 0.000 0.239 31 R C 2.490 178.651 176.300 -0.231 0.000 1.135 31 R CA 1.573 57.554 56.100 -0.198 0.000 0.967 31 R CB -0.482 29.648 30.300 -0.283 0.000 0.861 31 R HN 0.299 nan 8.270 nan 0.000 0.442 32 C N 0.150 119.308 119.300 -0.238 0.000 2.413 32 C HA -0.057 4.403 4.460 0.000 0.000 0.277 32 C C 2.126 177.026 174.990 -0.149 0.000 1.265 32 C CA 0.390 59.288 59.018 -0.200 0.000 1.752 32 C CB -0.717 26.992 27.740 -0.052 0.000 1.998 32 C HN 0.398 nan 8.230 nan 0.000 0.489 33 L N 0.488 121.641 121.223 -0.116 0.000 2.465 33 L HA -0.013 4.327 4.340 0.000 0.000 0.224 33 L C 2.137 178.893 176.870 -0.190 0.000 1.145 33 L CA 1.416 56.162 54.840 -0.156 0.000 0.834 33 L CB -1.522 40.462 42.059 -0.124 0.000 0.944 33 L HN 0.541 nan 8.230 nan 0.000 0.451 34 Q N -1.224 118.477 119.800 -0.165 0.000 1.865 34 Q HA 0.163 4.503 4.340 0.000 0.000 0.268 34 Q C -0.205 175.702 176.000 -0.155 0.000 0.961 34 Q CA 0.571 56.282 55.803 -0.155 0.000 0.870 34 Q CB 0.449 29.109 28.738 -0.129 0.000 0.929 34 Q HN 0.118 nan 8.270 nan 0.000 0.450 35 V N 0.829 120.657 119.914 -0.143 0.000 2.841 35 V HA 0.409 4.529 4.120 0.000 0.000 0.310 35 V C -1.110 174.905 176.094 -0.131 0.000 1.090 35 V CA -0.656 61.573 62.300 -0.118 0.000 0.930 35 V CB 1.972 33.744 31.823 -0.085 0.000 1.014 35 V HN 0.260 nan 8.190 nan 0.000 0.425 36 L N 4.051 125.212 121.223 -0.104 0.000 2.333 36 L HA 0.659 4.999 4.340 0.000 0.000 0.269 36 L C -2.464 174.439 176.870 0.056 0.000 1.010 36 L CA -1.854 52.921 54.840 -0.109 0.000 0.818 36 L CB 2.034 43.971 42.059 -0.204 0.000 1.306 36 L HN 0.427 nan 8.230 nan 0.000 0.430 37 P HA 0.065 nan 4.420 nan 0.000 0.271 37 P C 0.391 177.820 177.300 0.216 0.000 1.218 37 P CA -0.373 62.846 63.100 0.199 0.000 0.780 37 P CB 0.712 32.553 31.700 0.235 0.000 0.901 38 E N 2.137 122.400 120.200 0.105 0.000 2.339 38 E HA -0.301 4.049 4.350 0.000 0.000 0.201 38 E C 1.711 178.336 176.600 0.041 0.000 1.015 38 E CA 0.720 57.164 56.400 0.073 0.000 0.841 38 E CB 0.018 29.742 29.700 0.040 0.000 0.754 38 E HN 0.292 nan 8.360 nan 0.000 0.508 39 R N -0.219 120.275 120.500 -0.011 0.000 2.200 39 R HA -0.172 4.168 4.340 0.000 0.000 0.234 39 R C 0.560 176.653 176.300 -0.345 0.000 1.127 39 R CA 1.235 57.212 56.100 -0.204 0.000 0.989 39 R CB -0.077 30.022 30.300 -0.335 0.000 0.869 39 R HN 0.287 nan 8.270 nan 0.000 0.459 40 Y N 0.099 120.417 120.300 0.030 0.000 2.571 40 Y HA 0.112 4.662 4.550 -0.000 0.000 0.275 40 Y C 2.002 177.922 175.900 0.034 0.000 1.179 40 Y CA 0.200 58.323 58.100 0.039 0.000 1.242 40 Y CB 0.465 38.948 38.460 0.037 0.000 1.126 40 Y HN 0.139 nan 8.280 nan 0.000 0.524 41 S N -0.540 115.221 115.700 0.103 0.000 2.402 41 S HA -0.274 4.196 4.470 0.000 0.000 0.233 41 S C 2.097 176.730 174.600 0.055 0.000 1.030 41 S CA 1.557 59.801 58.200 0.074 0.000 1.003 41 S CB -0.872 62.353 63.200 0.042 0.000 0.813 41 S HN 0.523 nan 8.310 nan 0.000 0.477 42 S N 1.293 117.024 115.700 0.051 0.000 2.595 42 S HA 0.164 4.634 4.470 0.000 0.000 0.235 42 S C 1.374 176.006 174.600 0.053 0.000 0.974 42 S CA 0.524 58.748 58.200 0.040 0.000 0.942 42 S CB -0.712 62.513 63.200 0.042 0.000 0.766 42 S HN 0.598 nan 8.310 nan 0.000 0.536 43 L N 0.395 121.670 121.223 0.087 0.000 2.640 43 L HA 0.313 4.653 4.340 0.000 0.000 0.230 43 L C 2.348 179.245 176.870 0.044 0.000 1.123 43 L CA 0.169 55.063 54.840 0.091 0.000 0.900 43 L CB -0.180 41.975 42.059 0.160 0.000 1.146 43 L HN 0.229 nan 8.230 nan 0.000 0.484 44 E N 1.414 121.624 120.200 0.017 0.000 2.065 44 E HA -0.278 4.072 4.350 0.000 0.000 0.201 44 E C 1.979 178.533 176.600 -0.078 0.000 1.016 44 E CA 2.468 58.864 56.400 -0.008 0.000 0.818 44 E CB -0.192 29.487 29.700 -0.036 0.000 0.749 44 E HN 0.408 nan 8.360 nan 0.000 0.453 45 T N -2.856 111.561 114.554 -0.227 0.000 3.160 45 T HA 0.139 4.489 4.350 0.000 0.000 0.257 45 T C 1.074 175.677 174.700 -0.162 0.000 1.147 45 T CA 0.650 62.556 62.100 -0.324 0.000 1.064 45 T CB -0.027 68.530 68.868 -0.517 0.000 0.949 45 T HN -0.001 nan 8.240 nan 0.000 0.526 46 S N 0.171 115.824 115.700 -0.078 0.000 2.855 46 S HA 0.333 4.803 4.470 0.000 0.000 0.249 46 S C 1.460 176.065 174.600 0.008 0.000 1.033 46 S CA -0.721 57.445 58.200 -0.057 0.000 1.038 46 S CB 0.250 63.437 63.200 -0.021 0.000 0.960 46 S HN 0.403 nan 8.310 nan 0.000 0.548 47 R N 0.840 121.381 120.500 0.068 0.000 2.105 47 R HA -0.051 4.289 4.340 0.000 0.000 0.239 47 R C 2.018 178.435 176.300 0.194 0.000 1.135 47 R CA 1.071 57.261 56.100 0.150 0.000 0.967 47 R CB -0.376 30.075 30.300 0.252 0.000 0.861 47 R HN 0.268 nan 8.270 nan 0.000 0.442 48 L N 0.956 122.272 121.223 0.154 0.000 2.083 48 L HA -0.160 4.180 4.340 0.000 0.000 0.209 48 L C 2.343 179.187 176.870 -0.043 0.000 1.083 48 L CA 2.338 57.237 54.840 0.098 0.000 0.752 48 L CB -0.866 41.150 42.059 -0.073 0.000 0.899 48 L HN 0.302 nan 8.230 nan 0.000 0.433 49 T N -3.563 110.904 114.554 -0.145 0.000 3.023 49 T HA -0.064 4.286 4.350 0.000 0.000 0.266 49 T C 1.930 176.340 174.700 -0.483 0.000 1.093 49 T CA 0.818 62.707 62.100 -0.352 0.000 1.129 49 T CB -0.373 68.273 68.868 -0.370 0.000 0.899 49 T HN 0.192 nan 8.240 nan 0.000 0.491 50 I N 2.172 122.639 120.570 -0.172 0.000 2.353 50 I HA 0.069 4.239 4.170 0.000 0.000 0.248 50 I C 3.092 179.194 176.117 -0.025 0.000 1.119 50 I CA 1.009 62.304 61.300 -0.008 0.000 1.417 50 I CB -1.720 36.331 38.000 0.085 0.000 1.078 50 I HN 0.393 nan 8.210 nan 0.000 0.421 51 A N 0.916 123.724 122.820 -0.021 0.000 1.902 51 A HA -0.269 4.051 4.320 0.000 0.000 0.217 51 A C 2.297 179.811 177.584 -0.116 0.000 1.181 51 A CA 1.483 53.507 52.037 -0.022 0.000 0.623 51 A CB -1.119 17.965 19.000 0.140 0.000 0.818 51 A HN 0.387 nan 8.150 nan 0.000 0.443 52 F N 0.020 119.777 119.950 -0.321 0.000 2.095 52 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 52 F C 1.977 177.453 175.800 -0.540 0.000 1.104 52 F CA 1.700 59.422 58.000 -0.462 0.000 1.232 52 F CB -0.598 38.034 39.000 -0.613 0.000 0.987 52 F HN 0.258 nan 8.300 nan 0.000 0.475 53 F N 0.243 119.777 119.950 -0.692 0.000 2.126 53 F HA -0.243 4.284 4.527 0.000 0.000 0.299 53 F C 2.606 177.900 175.800 -0.845 0.000 1.096 53 F CA 0.668 58.104 58.000 -0.940 0.000 1.255 53 F CB -0.819 37.993 39.000 -0.313 0.000 0.997 53 F HN 0.160 nan 8.300 nan 0.000 0.479 54 A N 0.309 122.951 122.820 -0.298 0.000 1.872 54 A HA -0.061 4.259 4.320 0.000 0.000 0.214 54 A C 2.130 179.387 177.584 -0.544 0.000 1.187 54 A CA 0.977 52.812 52.037 -0.336 0.000 0.614 54 A CB -0.909 18.095 19.000 0.008 0.000 0.826 54 A HN 0.324 nan 8.150 nan 0.000 0.442 55 L N -0.873 120.099 121.223 -0.417 0.000 2.005 55 L HA -0.136 4.204 4.340 0.000 0.000 0.207 55 L C 2.891 179.495 176.870 -0.442 0.000 1.072 55 L CA 1.605 56.239 54.840 -0.343 0.000 0.744 55 L CB -0.517 41.404 42.059 -0.230 0.000 0.895 55 L HN 0.461 nan 8.230 nan 0.000 0.433 56 S N -0.123 115.170 115.700 -0.679 0.000 2.419 56 S HA -0.114 4.356 4.470 0.000 0.000 0.233 56 S C 1.944 176.286 174.600 -0.429 0.000 1.016 56 S CA 1.221 59.051 58.200 -0.617 0.000 0.974 56 S CB -0.352 62.156 63.200 -1.154 0.000 0.786 56 S HN 0.532 nan 8.310 nan 0.000 0.492 57 G N 1.272 109.651 108.800 -0.700 0.000 2.402 57 G HA2 -0.060 3.900 3.960 0.000 0.000 0.216 57 G HA3 -0.060 3.900 3.960 0.000 0.000 0.216 57 G C 1.394 175.985 174.900 -0.516 0.000 1.162 57 G CA 0.663 45.291 45.100 -0.788 0.000 0.777 57 G HN 0.506 nan 8.290 nan 0.000 0.539 58 L N 0.314 121.253 121.223 -0.474 0.000 2.056 58 L HA -0.040 4.300 4.340 0.000 0.000 0.207 58 L C 2.590 179.416 176.870 -0.073 0.000 1.078 58 L CA 1.249 56.018 54.840 -0.120 0.000 0.749 58 L CB -0.320 41.691 42.059 -0.080 0.000 0.901 58 L HN 0.180 nan 8.230 nan 0.000 0.433 59 D N 0.225 120.549 120.400 -0.128 0.000 2.104 59 D HA -0.273 4.367 4.640 0.000 0.000 0.194 59 D C 2.129 178.404 176.300 -0.042 0.000 0.994 59 D CA 1.556 55.510 54.000 -0.076 0.000 0.830 59 D CB 0.026 40.766 40.800 -0.100 0.000 0.959 59 D HN 0.024 nan 8.370 nan 0.000 0.452 60 M N -0.407 119.158 119.600 -0.059 0.000 2.267 60 M HA 0.019 4.499 4.480 0.000 0.000 0.263 60 M C 1.525 177.838 176.300 0.021 0.000 1.063 60 M CA 1.071 56.350 55.300 -0.035 0.000 1.090 60 M CB -0.036 32.515 32.600 -0.082 0.000 1.392 60 M HN 0.100 nan 8.290 nan 0.000 0.422 61 L N -1.396 119.866 121.223 0.065 0.000 2.628 61 L HA 0.121 4.461 4.340 0.000 0.000 0.229 61 L C 0.121 177.047 176.870 0.093 0.000 1.137 61 L CA -0.207 54.714 54.840 0.135 0.000 0.909 61 L CB -0.354 41.840 42.059 0.225 0.000 1.137 61 L HN 0.223 nan 8.230 nan 0.000 0.470 62 D N 0.595 121.025 120.400 0.050 0.000 2.737 62 D HA -0.195 4.445 4.640 0.000 0.000 0.238 62 D C 0.201 176.525 176.300 0.041 0.000 1.157 62 D CA 0.695 54.717 54.000 0.037 0.000 0.694 62 D CB -0.686 40.138 40.800 0.040 0.000 1.021 62 D HN 0.219 nan 8.370 nan 0.000 0.420 63 S N -0.067 115.654 115.700 0.036 0.000 3.031 63 S HA 0.184 4.654 4.470 0.000 0.000 0.253 63 S C 1.541 176.153 174.600 0.020 0.000 0.996 63 S CA -0.586 57.637 58.200 0.038 0.000 1.098 63 S CB 0.226 63.466 63.200 0.067 0.000 1.042 63 S HN 0.394 nan 8.310 nan 0.000 0.593 64 L N 2.249 123.473 121.223 0.003 0.000 2.450 64 L HA -0.134 4.206 4.340 0.000 0.000 0.224 64 L C 2.175 179.045 176.870 -0.001 0.000 1.149 64 L CA 1.162 55.996 54.840 -0.010 0.000 0.816 64 L CB -0.308 41.740 42.059 -0.019 0.000 0.932 64 L HN 0.501 nan 8.230 nan 0.000 0.449 65 D N 0.030 120.434 120.400 0.007 0.000 2.264 65 D HA -0.147 4.493 4.640 0.000 0.000 0.208 65 D C 1.774 178.077 176.300 0.006 0.000 0.966 65 D CA 1.371 55.375 54.000 0.007 0.000 0.864 65 D CB -0.354 40.452 40.800 0.010 0.000 0.933 65 D HN 0.401 nan 8.370 nan 0.000 0.499 66 V N -0.436 119.483 119.914 0.008 0.000 3.592 66 V HA 0.097 4.217 4.120 0.000 0.000 0.272 66 V C 0.731 176.824 176.094 -0.003 0.000 1.228 66 V CA 0.150 62.453 62.300 0.005 0.000 1.173 66 V CB -1.218 30.613 31.823 0.014 0.000 0.873 66 V HN 0.207 nan 8.190 nan 0.000 0.476 67 V N -2.500 117.411 119.914 -0.005 0.000 3.078 67 V HA 0.599 4.719 4.120 0.000 0.000 0.311 67 V C -0.359 175.732 176.094 -0.005 0.000 1.138 67 V CA -0.962 61.331 62.300 -0.012 0.000 1.007 67 V CB 1.939 33.749 31.823 -0.021 0.000 1.045 67 V HN 0.230 nan 8.190 nan 0.000 0.432 68 N N 2.262 120.959 118.700 -0.005 0.000 2.555 68 N HA 0.231 4.971 4.740 0.000 0.000 0.244 68 N C 0.892 176.416 175.510 0.023 0.000 1.114 68 N CA -0.005 53.050 53.050 0.008 0.000 0.963 68 N CB 0.813 39.304 38.487 0.007 0.000 1.276 68 N HN 0.816 nan 8.380 nan 0.000 0.510 69 K N 1.321 121.736 120.400 0.025 0.000 2.127 69 K HA -0.174 4.146 4.320 0.000 0.000 0.208 69 K C 0.758 177.398 176.600 0.066 0.000 1.047 69 K CA 1.392 57.702 56.287 0.039 0.000 0.927 69 K CB 0.256 32.775 32.500 0.033 0.000 0.716 69 K HN 0.517 nan 8.250 nan 0.000 0.450 70 D N 0.991 121.431 120.400 0.066 0.000 2.117 70 D HA -0.136 4.504 4.640 0.000 0.000 0.198 70 D C 1.519 177.890 176.300 0.117 0.000 0.982 70 D CA 1.123 55.177 54.000 0.089 0.000 0.828 70 D CB -0.160 40.682 40.800 0.070 0.000 0.967 70 D HN 0.199 nan 8.370 nan 0.000 0.464 71 D N 0.977 121.435 120.400 0.097 0.000 2.084 71 D HA -0.088 4.552 4.640 0.000 0.000 0.194 71 D C 2.383 178.791 176.300 0.180 0.000 0.990 71 D CA 0.459 54.530 54.000 0.119 0.000 0.826 71 D CB -0.336 40.500 40.800 0.060 0.000 0.971 71 D HN 0.274 nan 8.370 nan 0.000 0.453 72 I N 0.944 121.598 120.570 0.140 0.000 2.264 72 I HA -0.230 3.940 4.170 0.000 0.000 0.248 72 I C 2.446 178.726 176.117 0.272 0.000 1.111 72 I CA 0.741 62.159 61.300 0.198 0.000 1.382 72 I CB -0.208 37.855 38.000 0.105 0.000 1.060 72 I HN -0.033 nan 8.210 nan 0.000 0.418 73 I N 0.460 121.150 120.570 0.199 0.000 2.286 73 I HA -0.242 3.928 4.170 0.000 0.000 0.248 73 I C 2.511 178.804 176.117 0.293 0.000 1.115 73 I CA 1.145 62.564 61.300 0.199 0.000 1.392 73 I CB -0.386 37.734 38.000 0.199 0.000 1.065 73 I HN 0.251 nan 8.210 nan 0.000 0.418 74 E N -0.057 120.328 120.200 0.310 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 0.347 0.000 0.985 74 E CA 1.134 57.733 56.400 0.333 0.000 0.801 74 E CB -0.471 29.432 29.700 0.338 0.000 0.750 74 E HN 0.604 nan 8.360 nan 0.000 0.452 75 W N 1.971 123.407 121.300 0.226 0.000 2.335 75 W HA -0.142 4.518 4.660 -0.000 0.000 0.311 75 W C 2.007 178.593 176.519 0.112 0.000 1.213 75 W CA 1.491 58.971 57.345 0.225 0.000 1.274 75 W CB -0.487 29.076 29.460 0.171 0.000 1.148 75 W HN -0.064 nan 8.180 nan 0.000 0.498 76 I N -0.593 119.995 120.570 0.031 0.000 2.163 76 I HA -0.382 3.788 4.170 0.000 0.000 0.243 76 I C 2.157 178.179 176.117 -0.158 0.000 1.085 76 I CA 1.582 62.741 61.300 -0.236 0.000 1.347 76 I CB -0.977 36.937 38.000 -0.143 0.000 1.044 76 I HN -0.064 nan 8.210 nan 0.000 0.408 77 Y N 1.139 121.427 120.300 -0.020 0.000 2.403 77 Y HA -0.217 4.333 4.550 -0.000 0.000 0.291 77 Y C 2.925 178.664 175.900 -0.268 0.000 1.143 77 Y CA 1.397 59.458 58.100 -0.065 0.000 1.257 77 Y CB -0.593 37.838 38.460 -0.047 0.000 0.984 77 Y HN 0.283 nan 8.280 nan 0.000 0.550 78 S N -0.965 114.590 115.700 -0.240 0.000 2.515 78 S HA -0.060 4.410 4.470 0.000 0.000 0.231 78 S C 1.478 175.838 174.600 -0.401 0.000 0.987 78 S CA 0.639 58.549 58.200 -0.482 0.000 0.936 78 S CB -0.620 62.096 63.200 -0.807 0.000 0.766 78 S HN 0.490 nan 8.310 nan 0.000 0.528 79 L N 0.544 121.538 121.223 -0.381 0.000 2.592 79 L HA 0.294 4.634 4.340 0.000 0.000 0.227 79 L C 1.236 177.849 176.870 -0.428 0.000 1.127 79 L CA -0.055 54.581 54.840 -0.341 0.000 0.884 79 L CB -0.188 41.676 42.059 -0.325 0.000 1.065 79 L HN 0.402 nan 8.230 nan 0.000 0.457 80 Q N 1.369 120.780 119.800 -0.649 0.000 2.288 80 Q HA 0.196 4.536 4.340 0.000 0.000 0.258 80 Q C -0.677 174.987 176.000 -0.560 0.000 0.957 80 Q CA -0.263 54.902 55.803 -1.063 0.000 0.919 80 Q CB 1.496 29.592 28.738 -1.070 0.000 1.185 80 Q HN -0.017 nan 8.270 nan 0.000 0.408 81 V N 7.032 126.661 119.914 -0.475 0.000 2.338 81 V HA 0.146 4.266 4.120 0.000 0.000 0.255 81 V C 0.206 176.154 176.094 -0.242 0.000 1.082 81 V CA -0.088 62.044 62.300 -0.279 0.000 0.951 81 V CB 0.000 31.705 31.823 -0.197 0.000 1.102 81 V HN 0.733 nan 8.190 nan 0.000 0.489 82 L N 7.991 129.088 121.223 -0.210 0.000 2.399 82 L HA 0.459 4.799 4.340 0.000 0.000 0.266 82 L C -1.832 174.966 176.870 -0.119 0.000 1.114 82 L CA -1.782 52.960 54.840 -0.162 0.000 0.804 82 L CB 1.258 43.226 42.059 -0.152 0.000 1.146 82 L HN 0.373 nan 8.230 nan 0.000 0.451 83 P HA 0.078 nan 4.420 nan 0.000 0.275 83 P C -0.467 176.790 177.300 -0.071 0.000 1.227 83 P CA -0.372 62.681 63.100 -0.078 0.000 0.781 83 P CB 0.708 32.367 31.700 -0.068 0.000 0.906 84 T N -1.482 113.035 114.554 -0.062 0.000 2.698 84 T HA 0.248 4.598 4.350 0.000 0.000 0.295 84 T C 1.741 176.411 174.700 -0.050 0.000 1.007 84 T CA 0.338 62.406 62.100 -0.055 0.000 0.980 84 T CB -0.394 68.445 68.868 -0.048 0.000 1.036 84 T HN 0.440 nan 8.240 nan 0.000 0.526 85 E N 1.163 121.336 120.200 -0.045 0.000 2.048 85 E HA -0.259 4.091 4.350 0.000 0.000 0.202 85 E C 1.635 178.212 176.600 -0.038 0.000 1.021 85 E CA 2.039 58.415 56.400 -0.040 0.000 0.825 85 E CB -1.616 28.063 29.700 -0.036 0.000 0.756 85 E HN 0.972 nan 8.360 nan 0.000 0.454 86 D N -0.422 119.956 120.400 -0.037 0.000 2.350 86 D HA -0.104 4.536 4.640 0.000 0.000 0.216 86 D C 0.581 176.860 176.300 -0.036 0.000 0.968 86 D CA 0.639 54.619 54.000 -0.034 0.000 0.894 86 D CB -0.432 40.349 40.800 -0.033 0.000 0.909 86 D HN 0.567 nan 8.370 nan 0.000 0.520 87 R N -0.446 120.029 120.500 -0.041 0.000 3.641 87 R HA -0.161 4.179 4.340 0.000 0.000 0.286 87 R C 0.718 176.994 176.300 -0.040 0.000 1.153 87 R CA 0.863 56.938 56.100 -0.043 0.000 0.775 87 R CB -2.968 27.307 30.300 -0.041 0.000 1.215 87 R HN 0.458 nan 8.270 nan 0.000 0.474 88 S N 0.142 115.818 115.700 -0.040 0.000 2.593 88 S HA -0.029 4.441 4.470 0.000 0.000 0.217 88 S C 1.013 175.587 174.600 -0.043 0.000 0.966 88 S CA 0.360 58.537 58.200 -0.039 0.000 0.914 88 S CB 0.053 63.230 63.200 -0.039 0.000 0.776 88 S HN 0.542 nan 8.310 nan 0.000 0.523 89 N N 1.029 119.702 118.700 -0.046 0.000 2.338 89 N HA 0.210 4.950 4.740 0.000 0.000 0.251 89 N C 0.828 176.308 175.510 -0.050 0.000 1.199 89 N CA -0.392 52.628 53.050 -0.049 0.000 0.879 89 N CB -0.425 38.030 38.487 -0.053 0.000 1.159 89 N HN 0.320 nan 8.380 nan 0.000 0.514 90 L N 0.244 121.440 121.223 -0.045 0.000 2.083 90 L HA -0.114 4.226 4.340 0.000 0.000 0.209 90 L C 1.054 177.901 176.870 -0.038 0.000 1.083 90 L CA 1.340 56.155 54.840 -0.043 0.000 0.752 90 L CB -0.205 41.831 42.059 -0.037 0.000 0.899 90 L HN 0.112 nan 8.230 nan 0.000 0.433 91 D N -0.032 120.348 120.400 -0.034 0.000 2.378 91 D HA -0.108 4.532 4.640 0.000 0.000 0.222 91 D C 1.546 177.828 176.300 -0.031 0.000 0.980 91 D CA 0.853 54.836 54.000 -0.028 0.000 0.907 91 D CB 0.093 40.877 40.800 -0.027 0.000 0.899 91 D HN 0.385 nan 8.370 nan 0.000 0.527 92 R N -0.665 119.811 120.500 -0.040 0.000 2.565 92 R HA 0.193 4.533 4.340 0.000 0.000 0.347 92 R C 0.131 176.400 176.300 -0.053 0.000 1.010 92 R CA -0.241 55.833 56.100 -0.043 0.000 1.126 92 R CB 0.603 30.876 30.300 -0.045 0.000 1.331 92 R HN 0.024 nan 8.270 nan 0.000 0.552 93 C N 0.639 119.905 119.300 -0.056 0.000 2.520 93 C HA 0.765 5.225 4.460 0.000 0.000 0.376 93 C C 1.391 176.350 174.990 -0.051 0.000 1.268 93 C CA 0.196 59.169 59.018 -0.075 0.000 2.414 93 C CB 0.940 28.633 27.740 -0.078 0.000 2.521 93 C HN 0.774 nan 8.230 nan 0.000 0.618 94 G N 0.595 109.349 108.800 -0.077 0.000 2.439 94 G HA2 0.295 4.255 3.960 0.000 0.000 0.186 94 G HA3 0.295 4.255 3.960 0.000 0.000 0.186 94 G C -1.647 173.227 174.900 -0.044 0.000 1.260 94 G CA -0.495 44.631 45.100 0.043 0.000 1.020 94 G HN 0.421 nan 8.290 nan 0.000 0.470 95 F N 1.195 121.096 119.950 -0.082 0.000 2.577 95 F HA 0.776 5.303 4.527 0.000 0.000 0.318 95 F C 0.848 176.600 175.800 -0.079 0.000 1.065 95 F CA -0.729 57.205 58.000 -0.110 0.000 0.929 95 F CB 2.122 41.031 39.000 -0.152 0.000 1.237 95 F HN 0.403 nan 8.300 nan 0.000 0.468 96 R N 0.031 120.555 120.500 0.040 0.000 2.573 96 R HA 0.496 4.836 4.340 0.000 0.000 0.272 96 R C 0.954 177.274 176.300 0.033 0.000 1.009 96 R CA -0.376 55.745 56.100 0.035 0.000 1.059 96 R CB 0.692 30.967 30.300 -0.041 0.000 1.112 96 R HN 0.899 nan 8.270 nan 0.000 0.517 97 G N -0.125 108.717 108.800 0.070 0.000 2.464 97 G HA2 -0.089 3.871 3.960 0.000 0.000 0.217 97 G HA3 -0.089 3.871 3.960 0.000 0.000 0.217 97 G C 0.291 175.231 174.900 0.066 0.000 1.138 97 G CA 0.845 45.953 45.100 0.013 0.000 0.793 97 G HN 0.626 nan 8.290 nan 0.000 0.539 98 S N -1.893 113.899 115.700 0.153 0.000 2.694 98 S HA 0.347 4.817 4.470 0.000 0.000 0.273 98 S C 0.370 175.080 174.600 0.183 0.000 1.180 98 S CA 0.492 58.813 58.200 0.202 0.000 0.864 98 S CB 0.750 64.130 63.200 0.300 0.000 1.198 98 S HN 0.494 nan 8.310 nan 0.000 0.499 99 S N 0.247 116.060 115.700 0.188 0.000 2.679 99 S HA 0.118 4.588 4.470 0.000 0.000 0.233 99 S C 1.315 175.955 174.600 0.068 0.000 0.951 99 S CA 0.193 58.441 58.200 0.081 0.000 0.973 99 S CB -1.355 61.930 63.200 0.143 0.000 0.778 99 S HN 1.032 nan 8.310 nan 0.000 0.477 100 Y N 0.677 121.002 120.300 0.041 0.000 2.446 100 Y HA 0.067 4.617 4.550 0.000 0.000 0.287 100 Y C 1.450 177.361 175.900 0.020 0.000 1.159 100 Y CA 0.320 58.442 58.100 0.037 0.000 1.297 100 Y CB -0.708 37.772 38.460 0.033 0.000 0.974 100 Y HN 0.307 nan 8.280 nan 0.000 0.557 101 L N 0.446 121.312 121.223 -0.595 0.000 2.478 101 L HA 0.130 4.470 4.340 0.000 0.000 0.223 101 L C 1.839 178.625 176.870 -0.141 0.000 1.140 101 L CA 1.060 55.634 54.840 -0.444 0.000 0.842 101 L CB -0.677 40.995 42.059 -0.646 0.000 0.953 101 L HN 0.689 nan 8.230 nan 0.000 0.452 102 G N 0.678 109.432 108.800 -0.076 0.000 2.141 102 G HA2 -0.263 3.697 3.960 0.000 0.000 0.242 102 G HA3 -0.263 3.697 3.960 0.000 0.000 0.242 102 G C 0.246 175.160 174.900 0.024 0.000 0.982 102 G CA -0.284 44.823 45.100 0.012 0.000 0.662 102 G HN 0.271 nan 8.290 nan 0.000 0.527 103 I N 2.818 123.375 120.570 -0.022 0.000 2.556 103 I HA 0.204 4.374 4.170 0.000 0.000 0.284 103 I C -0.882 175.249 176.117 0.023 0.000 1.114 103 I CA -1.664 59.634 61.300 -0.002 0.000 1.418 103 I CB 0.673 38.632 38.000 -0.068 0.000 1.394 103 I HN 0.010 nan 8.210 nan 0.000 0.552 104 P HA -0.092 nan 4.420 nan 0.000 0.263 104 P C -0.382 176.976 177.300 0.097 0.000 1.195 104 P CA -0.080 63.068 63.100 0.079 0.000 0.762 104 P CB 0.238 31.973 31.700 0.059 0.000 0.799 105 F N 3.896 123.850 119.950 0.007 0.000 2.548 105 F HA -0.071 4.456 4.527 0.000 0.000 0.403 105 F C 0.512 176.312 175.800 -0.000 0.000 1.004 105 F CA 0.952 58.959 58.000 0.011 0.000 1.177 105 F CB -0.076 38.948 39.000 0.039 0.000 0.974 105 F HN 0.386 nan 8.300 nan 0.000 0.541 106 N N 7.429 125.815 118.700 -0.523 0.000 2.664 106 N HA 0.292 5.032 4.740 0.000 0.000 0.268 106 N C -2.825 172.397 175.510 -0.480 0.000 1.222 106 N CA -1.630 51.205 53.050 -0.359 0.000 0.805 106 N CB 1.318 39.696 38.487 -0.182 0.000 1.399 106 N HN 0.159 nan 8.380 nan 0.000 0.547 107 P HA 0.066 nan 4.420 nan 0.000 0.237 107 P C -0.716 176.475 177.300 -0.182 0.000 1.701 107 P CA 0.214 63.141 63.100 -0.290 0.000 0.955 107 P CB -0.542 31.084 31.700 -0.123 0.000 1.937 108 S N -1.055 114.531 115.700 -0.190 0.000 3.549 108 S HA -0.221 4.249 4.470 0.000 0.000 0.366 108 S C 1.409 175.896 174.600 -0.190 0.000 1.012 108 S CA 1.595 59.687 58.200 -0.181 0.000 1.141 108 S CB -1.685 61.419 63.200 -0.160 0.000 0.910 108 S HN 0.720 nan 8.310 nan 0.000 0.471 109 K N 0.214 120.524 120.400 -0.151 0.000 2.225 109 K HA 0.218 4.538 4.320 0.000 0.000 0.204 109 K C 0.538 177.082 176.600 -0.094 0.000 1.047 109 K CA 0.974 57.192 56.287 -0.115 0.000 0.970 109 K CB -0.048 32.405 32.500 -0.078 0.000 0.939 109 K HN 0.548 nan 8.250 nan 0.000 0.472 110 N N 0.611 119.259 118.700 -0.087 0.000 2.485 110 N HA 0.402 5.142 4.740 0.000 0.000 0.280 110 N C -2.638 172.823 175.510 -0.081 0.000 1.205 110 N CA -1.779 51.229 53.050 -0.071 0.000 0.959 110 N CB 0.880 39.336 38.487 -0.053 0.000 1.206 110 N HN -0.012 nan 8.380 nan 0.000 0.545 111 P HA 0.114 nan 4.420 nan 0.000 0.272 111 P C 0.121 177.375 177.300 -0.076 0.000 1.240 111 P CA -0.191 62.866 63.100 -0.072 0.000 0.791 111 P CB 0.202 31.867 31.700 -0.058 0.000 0.978 112 G N 0.208 108.959 108.800 -0.081 0.000 2.441 112 G HA2 0.376 4.336 3.960 0.000 0.000 0.243 112 G HA3 0.376 4.336 3.960 0.000 0.000 0.243 112 G C -0.265 174.599 174.900 -0.059 0.000 1.281 112 G CA -0.225 44.825 45.100 -0.083 0.000 0.854 112 G HN 0.533 nan 8.290 nan 0.000 0.560 113 T N -0.222 114.301 114.554 -0.051 0.000 2.733 113 T HA 0.625 4.975 4.350 0.000 0.000 0.294 113 T C 0.592 175.288 174.700 -0.007 0.000 0.956 113 T CA -0.120 61.964 62.100 -0.027 0.000 0.987 113 T CB 1.419 70.278 68.868 -0.016 0.000 0.920 113 T HN 1.022 nan 8.240 nan 0.000 0.470 114 A N 3.158 125.971 122.820 -0.012 0.000 2.555 114 A HA 0.343 4.663 4.320 0.000 0.000 0.233 114 A C 0.311 177.923 177.584 0.046 0.000 1.060 114 A CA 0.064 52.099 52.037 -0.003 0.000 0.759 114 A CB -0.179 18.804 19.000 -0.029 0.000 0.995 114 A HN 1.078 nan 8.150 nan 0.000 0.506 115 H N 2.531 121.562 119.070 -0.064 0.000 3.137 115 H HA 0.278 4.834 4.556 0.000 0.000 0.336 115 H C -2.507 172.768 175.328 -0.089 0.000 1.055 115 H CA -1.219 54.799 56.048 -0.051 0.000 1.349 115 H CB 1.754 31.493 29.762 -0.039 0.000 1.939 115 H HN 0.364 nan 8.280 nan 0.000 0.487 116 P HA -0.113 nan 4.420 nan 0.000 0.217 116 P C 0.115 177.172 177.300 -0.405 0.000 1.148 116 P CA 1.485 64.434 63.100 -0.252 0.000 0.828 116 P CB 0.088 31.575 31.700 -0.355 0.000 0.783 117 Y N -2.523 118.000 120.300 0.373 0.000 2.641 117 Y HA 0.273 4.823 4.550 -0.000 0.000 0.248 117 Y C 0.224 176.089 175.900 -0.059 0.000 1.170 117 Y CA -0.963 57.217 58.100 0.133 0.000 1.201 117 Y CB 0.025 38.567 38.460 0.137 0.000 1.232 117 Y HN -0.153 nan 8.280 nan 0.000 0.537 118 D N 1.447 121.821 120.400 -0.045 0.000 2.280 118 D HA 0.469 5.109 4.640 0.000 0.000 0.243 118 D C -0.241 176.005 176.300 -0.089 0.000 1.129 118 D CA 0.165 54.048 54.000 -0.194 0.000 0.848 118 D CB 0.732 41.351 40.800 -0.301 0.000 1.107 118 D HN 0.154 nan 8.370 nan 0.000 0.471 119 S N 1.508 117.165 115.700 -0.070 0.000 2.611 119 S HA 0.738 5.208 4.470 0.000 0.000 0.268 119 S C 0.155 174.741 174.600 -0.023 0.000 1.156 119 S CA -0.867 57.305 58.200 -0.046 0.000 0.817 119 S CB 0.834 64.022 63.200 -0.021 0.000 1.122 119 S HN 0.458 nan 8.310 nan 0.000 0.466 120 G N 0.006 108.794 108.800 -0.020 0.000 2.616 120 G HA2 0.490 4.450 3.960 0.000 0.000 0.268 120 G HA3 0.490 4.450 3.960 0.000 0.000 0.268 120 G C -0.776 174.162 174.900 0.064 0.000 1.213 120 G CA -0.277 44.838 45.100 0.024 0.000 0.926 120 G HN 0.879 nan 8.290 nan 0.000 0.523 121 H N 0.608 119.671 119.070 -0.013 0.000 2.744 121 H HA 0.223 4.779 4.556 0.000 0.000 0.339 121 H C 1.060 176.346 175.328 -0.071 0.000 1.004 121 H CA -0.707 55.308 56.048 -0.054 0.000 1.257 121 H CB 1.776 31.524 29.762 -0.024 0.000 1.552 121 H HN 0.383 nan 8.280 nan 0.000 0.522 122 I N 3.983 124.390 120.570 -0.273 0.000 2.236 122 I HA -0.343 3.827 4.170 0.000 0.000 0.249 122 I C 1.922 178.072 176.117 0.054 0.000 1.102 122 I CA 1.944 63.148 61.300 -0.160 0.000 1.365 122 I CB -0.052 37.752 38.000 -0.327 0.000 1.051 122 I HN 0.706 nan 8.210 nan 0.000 0.420 123 A N -0.235 122.743 122.820 0.263 0.000 2.066 123 A HA -0.126 4.194 4.320 0.000 0.000 0.218 123 A C 2.095 179.771 177.584 0.155 0.000 1.157 123 A CA 1.072 53.315 52.037 0.343 0.000 0.670 123 A CB -0.256 19.018 19.000 0.456 0.000 0.804 123 A HN 0.421 nan 8.150 nan 0.000 0.453 124 M N -0.892 118.799 119.600 0.152 0.000 2.357 124 M HA 0.000 4.480 4.480 0.000 0.000 0.266 124 M C 2.003 178.250 176.300 -0.088 0.000 1.095 124 M CA 1.520 56.812 55.300 -0.014 0.000 1.156 124 M CB -1.899 30.724 32.600 0.038 0.000 1.365 124 M HN 0.321 nan 8.290 nan 0.000 0.447 125 T N 0.495 115.057 114.554 0.013 0.000 2.788 125 T HA -0.167 4.183 4.350 0.000 0.000 0.268 125 T C 1.690 176.267 174.700 -0.206 0.000 1.044 125 T CA 1.438 63.508 62.100 -0.049 0.000 1.139 125 T CB -0.455 68.452 68.868 0.064 0.000 0.867 125 T HN 0.348 nan 8.240 nan 0.000 0.454 126 Y N 3.054 123.217 120.300 -0.229 0.000 2.092 126 Y HA -0.193 4.357 4.550 0.000 0.000 0.282 126 Y C 2.716 178.393 175.900 -0.372 0.000 1.126 126 Y CA 1.904 59.837 58.100 -0.278 0.000 1.111 126 Y CB -1.293 37.030 38.460 -0.228 0.000 0.987 126 Y HN 0.289 nan 8.280 nan 0.000 0.489 127 T N -1.900 112.068 114.554 -0.976 0.000 2.881 127 T HA -0.049 4.301 4.350 0.000 0.000 0.270 127 T C 2.189 176.493 174.700 -0.661 0.000 1.068 127 T CA 1.123 62.550 62.100 -1.122 0.000 1.131 127 T CB -1.350 66.999 68.868 -0.865 0.000 0.871 127 T HN 0.449 nan 8.240 nan 0.000 0.479 128 G N 1.906 110.337 108.800 -0.614 0.000 2.434 128 G HA2 -0.032 3.928 3.960 0.000 0.000 0.214 128 G HA3 -0.032 3.928 3.960 0.000 0.000 0.214 128 G C 1.489 175.956 174.900 -0.723 0.000 1.202 128 G CA 0.697 45.352 45.100 -0.741 0.000 0.788 128 G HN 0.503 nan 8.290 nan 0.000 0.539 129 L N 0.574 121.369 121.223 -0.714 0.000 2.042 129 L HA -0.134 4.206 4.340 0.000 0.000 0.210 129 L C 3.113 179.818 176.870 -0.275 0.000 1.076 129 L CA 1.389 55.968 54.840 -0.434 0.000 0.749 129 L CB -0.526 41.372 42.059 -0.269 0.000 0.893 129 L HN 0.333 nan 8.230 nan 0.000 0.432 130 S N -0.954 114.562 115.700 -0.305 0.000 2.359 130 S HA -0.241 4.229 4.470 0.000 0.000 0.224 130 S C 2.175 176.713 174.600 -0.104 0.000 1.035 130 S CA 1.707 59.788 58.200 -0.198 0.000 1.018 130 S CB -0.328 62.620 63.200 -0.420 0.000 0.876 130 S HN 0.508 nan 8.310 nan 0.000 0.448 131 C N 0.993 120.204 119.300 -0.148 0.000 2.429 131 C HA 0.047 4.507 4.460 0.000 0.000 0.277 131 C C 2.524 177.456 174.990 -0.098 0.000 1.262 131 C CA 0.610 59.578 59.018 -0.084 0.000 1.733 131 C CB -1.569 26.115 27.740 -0.092 0.000 2.010 131 C HN 0.586 nan 8.230 nan 0.000 0.483 132 L N 0.373 121.497 121.223 -0.164 0.000 2.012 132 L HA -0.203 4.137 4.340 0.000 0.000 0.210 132 L C 2.392 179.234 176.870 -0.045 0.000 1.073 132 L CA 1.696 56.460 54.840 -0.127 0.000 0.748 132 L CB -0.561 41.373 42.059 -0.208 0.000 0.891 132 L HN 0.366 nan 8.230 nan 0.000 0.431 133 I N -0.266 120.276 120.570 -0.046 0.000 2.226 133 I HA -0.317 3.853 4.170 0.000 0.000 0.245 133 I C 2.414 178.521 176.117 -0.017 0.000 1.100 133 I CA 1.463 62.752 61.300 -0.018 0.000 1.374 133 I CB -0.230 37.756 38.000 -0.024 0.000 1.057 133 I HN 0.189 nan 8.210 nan 0.000 0.413 134 I N 0.490 121.046 120.570 -0.024 0.000 2.286 134 I HA -0.282 3.888 4.170 0.000 0.000 0.248 134 I C 2.124 178.227 176.117 -0.024 0.000 1.115 134 I CA 1.440 62.723 61.300 -0.028 0.000 1.392 134 I CB -0.236 37.734 38.000 -0.051 0.000 1.065 134 I HN 0.233 nan 8.210 nan 0.000 0.418 135 L N 0.208 121.420 121.223 -0.017 0.000 2.599 135 L HA 0.129 4.469 4.340 0.000 0.000 0.230 135 L C 1.648 178.529 176.870 0.019 0.000 1.141 135 L CA 0.679 55.520 54.840 0.001 0.000 0.877 135 L CB -0.263 41.803 42.059 0.011 0.000 1.009 135 L HN 0.524 nan 8.230 nan 0.000 0.447 136 G N -0.010 108.801 108.800 0.018 0.000 2.194 136 G HA2 -0.318 3.643 3.960 0.000 0.000 0.236 136 G HA3 -0.318 3.643 3.960 0.000 0.000 0.236 136 G C 0.151 175.084 174.900 0.056 0.000 0.987 136 G CA 0.219 45.337 45.100 0.030 0.000 0.635 136 G HN 0.444 nan 8.290 nan 0.000 0.520 137 D N 0.783 121.228 120.400 0.075 0.000 2.400 137 D HA 0.393 5.033 4.640 0.000 0.000 0.238 137 D C 1.326 177.708 176.300 0.136 0.000 1.157 137 D CA 0.619 54.696 54.000 0.127 0.000 0.889 137 D CB 0.503 41.406 40.800 0.172 0.000 1.199 137 D HN 0.293 nan 8.370 nan 0.000 0.436 138 D N 1.639 122.145 120.400 0.176 0.000 2.363 138 D HA 0.056 4.696 4.640 0.000 0.000 0.214 138 D C 0.667 177.152 176.300 0.309 0.000 1.093 138 D CA -0.277 53.856 54.000 0.222 0.000 0.837 138 D CB -0.069 40.854 40.800 0.205 0.000 0.948 138 D HN 0.314 nan 8.370 nan 0.000 0.507 139 L N 0.274 121.668 121.223 0.285 0.000 4.429 139 L HA -0.297 4.043 4.340 0.000 0.000 0.422 139 L C 1.773 178.756 176.870 0.187 0.000 1.149 139 L CA 1.021 56.036 54.840 0.292 0.000 0.972 139 L CB -2.976 39.270 42.059 0.311 0.000 2.059 139 L HN 0.332 nan 8.230 nan 0.000 0.870 140 S N -1.400 114.383 115.700 0.138 0.000 2.399 140 S HA -0.124 4.346 4.470 0.000 0.000 0.231 140 S C 1.716 176.294 174.600 -0.037 0.000 1.022 140 S CA 1.256 59.462 58.200 0.010 0.000 0.983 140 S CB -0.194 63.009 63.200 0.005 0.000 0.803 140 S HN 0.623 nan 8.310 nan 0.000 0.480 141 R N 0.640 121.111 120.500 -0.048 0.000 2.310 141 R HA 0.325 4.665 4.340 0.000 0.000 0.202 141 R C -0.551 175.787 176.300 0.062 0.000 0.933 141 R CA -0.057 55.919 56.100 -0.207 0.000 1.054 141 R CB 0.192 29.982 30.300 -0.850 0.000 0.985 141 R HN 0.255 nan 8.270 nan 0.000 0.489 142 V N 1.802 121.846 119.914 0.217 0.000 2.432 142 V HA 0.006 4.126 4.120 0.000 0.000 0.271 142 V C 0.193 176.315 176.094 0.047 0.000 1.046 142 V CA -0.568 61.870 62.300 0.230 0.000 0.945 142 V CB 1.347 33.313 31.823 0.239 0.000 0.992 142 V HN 0.104 nan 8.190 nan 0.000 0.471 143 D N 4.872 125.279 120.400 0.012 0.000 2.551 143 D HA 0.090 4.730 4.640 0.000 0.000 0.223 143 D C 1.280 177.556 176.300 -0.039 0.000 1.144 143 D CA -0.008 53.965 54.000 -0.044 0.000 1.025 143 D CB 0.405 41.167 40.800 -0.064 0.000 1.085 143 D HN 0.519 nan 8.370 nan 0.000 0.506 144 K N 1.230 121.591 120.400 -0.065 0.000 2.077 144 K HA -0.209 4.111 4.320 0.000 0.000 0.213 144 K C 1.565 178.127 176.600 -0.063 0.000 1.051 144 K CA 1.164 57.406 56.287 -0.075 0.000 0.929 144 K CB 0.210 32.616 32.500 -0.155 0.000 0.715 144 K HN 0.316 nan 8.250 nan 0.000 0.451 145 E N 0.264 120.422 120.200 -0.071 0.000 2.110 145 E HA -0.150 4.200 4.350 0.000 0.000 0.193 145 E C 2.045 178.619 176.600 -0.043 0.000 0.988 145 E CA 1.192 57.559 56.400 -0.055 0.000 0.804 145 E CB -0.190 29.476 29.700 -0.057 0.000 0.745 145 E HN 0.367 nan 8.360 nan 0.000 0.458 146 A N 0.689 123.481 122.820 -0.046 0.000 1.898 146 A HA -0.170 4.150 4.320 0.000 0.000 0.216 146 A C 2.642 180.206 177.584 -0.033 0.000 1.181 146 A CA 1.349 53.359 52.037 -0.045 0.000 0.620 146 A CB -0.883 18.081 19.000 -0.059 0.000 0.819 146 A HN 0.339 nan 8.150 nan 0.000 0.442 147 C N -0.619 118.669 119.300 -0.019 0.000 2.432 147 C HA -0.074 4.386 4.460 0.000 0.000 0.277 147 C C 2.643 177.626 174.990 -0.012 0.000 1.249 147 C CA 1.051 60.071 59.018 0.003 0.000 1.725 147 C CB -1.538 26.226 27.740 0.040 0.000 2.028 147 C HN 0.624 nan 8.230 nan 0.000 0.477 148 L N 1.021 122.230 121.223 -0.024 0.000 2.083 148 L HA -0.157 4.183 4.340 0.000 0.000 0.209 148 L C 2.874 179.740 176.870 -0.005 0.000 1.083 148 L CA 1.549 56.375 54.840 -0.024 0.000 0.752 148 L CB -0.800 41.240 42.059 -0.032 0.000 0.899 148 L HN 0.356 nan 8.230 nan 0.000 0.433 149 A N 0.410 123.223 122.820 -0.012 0.000 1.902 149 A HA -0.113 4.207 4.320 0.000 0.000 0.217 149 A C 2.422 180.005 177.584 -0.002 0.000 1.181 149 A CA 1.717 53.749 52.037 -0.008 0.000 0.623 149 A CB -1.224 17.764 19.000 -0.020 0.000 0.818 149 A HN 0.428 nan 8.150 nan 0.000 0.443 150 G N -0.455 108.340 108.800 -0.009 0.000 2.418 150 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 150 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 150 G C 1.588 176.496 174.900 0.014 0.000 1.158 150 G CA 0.912 46.007 45.100 -0.007 0.000 0.771 150 G HN 0.407 nan 8.290 nan 0.000 0.545 151 L N -0.160 121.075 121.223 0.021 0.000 1.989 151 L HA -0.076 4.264 4.340 0.000 0.000 0.211 151 L C 3.216 180.183 176.870 0.162 0.000 1.071 151 L CA 1.311 56.186 54.840 0.059 0.000 0.749 151 L CB -0.289 41.773 42.059 0.005 0.000 0.890 151 L HN 0.204 nan 8.230 nan 0.000 0.431 152 R N -0.494 120.073 120.500 0.111 0.000 2.119 152 R HA -0.226 4.114 4.340 0.000 0.000 0.246 152 R C 2.161 178.493 176.300 0.053 0.000 1.146 152 R CA 1.562 57.722 56.100 0.100 0.000 0.962 152 R CB -0.525 29.804 30.300 0.049 0.000 0.863 152 R HN 0.463 nan 8.270 nan 0.000 0.442 153 A N 0.693 123.532 122.820 0.032 0.000 2.125 153 A HA -0.097 4.223 4.320 0.000 0.000 0.219 153 A C 1.977 179.560 177.584 -0.002 0.000 1.156 153 A CA 1.072 53.110 52.037 0.002 0.000 0.671 153 A CB -0.317 18.680 19.000 -0.006 0.000 0.794 153 A HN 0.217 nan 8.150 nan 0.000 0.459 154 L N -1.125 120.130 121.223 0.052 0.000 2.446 154 L HA 0.054 4.394 4.340 0.000 0.000 0.219 154 L C 1.378 178.214 176.870 -0.057 0.000 1.116 154 L CA -0.007 54.873 54.840 0.066 0.000 0.844 154 L CB -0.192 41.972 42.059 0.175 0.000 0.970 154 L HN 0.504 nan 8.230 nan 0.000 0.457 155 Q N 1.479 121.113 119.800 -0.277 0.000 2.314 155 Q HA 0.320 4.660 4.340 0.000 0.000 0.258 155 Q C -0.586 175.164 176.000 -0.417 0.000 0.954 155 Q CA -0.108 55.214 55.803 -0.802 0.000 0.890 155 Q CB 0.929 29.089 28.738 -0.964 0.000 1.210 155 Q HN 0.238 nan 8.270 nan 0.000 0.410 156 L N 2.533 123.514 121.223 -0.405 0.000 2.448 156 L HA 0.311 4.651 4.340 0.000 0.000 0.258 156 L C 1.811 178.572 176.870 -0.181 0.000 1.104 156 L CA 0.060 54.767 54.840 -0.221 0.000 0.800 156 L CB 0.470 42.428 42.059 -0.167 0.000 1.241 156 L HN 0.907 nan 8.230 nan 0.000 0.472 157 E N 0.763 120.901 120.200 -0.103 0.000 2.118 157 E HA -0.259 4.091 4.350 0.000 0.000 0.195 157 E C 1.270 177.842 176.600 -0.048 0.000 0.992 157 E CA 1.686 58.047 56.400 -0.066 0.000 0.804 157 E CB -0.846 28.833 29.700 -0.035 0.000 0.741 157 E HN 0.876 nan 8.360 nan 0.000 0.458 158 D N -1.999 118.381 120.400 -0.033 0.000 2.363 158 D HA 0.232 4.872 4.640 0.000 0.000 0.226 158 D C 1.503 177.830 176.300 0.045 0.000 1.020 158 D CA 1.147 55.173 54.000 0.043 0.000 0.892 158 D CB -0.038 40.841 40.800 0.131 0.000 0.900 158 D HN 0.869 nan 8.370 nan 0.000 0.531 159 G N -0.121 108.615 108.800 -0.108 0.000 2.234 159 G HA2 -0.299 3.661 3.960 0.000 0.000 0.235 159 G HA3 -0.299 3.661 3.960 0.000 0.000 0.235 159 G C 0.569 175.258 174.900 -0.352 0.000 0.997 159 G CA 0.464 45.477 45.100 -0.145 0.000 0.623 159 G HN 0.820 nan 8.290 nan 0.000 0.514 160 S N -0.215 115.127 115.700 -0.598 0.000 2.640 160 S HA 0.813 5.283 4.470 0.000 0.000 0.262 160 S C -0.123 174.189 174.600 -0.481 0.000 1.232 160 S CA -0.255 57.520 58.200 -0.708 0.000 0.988 160 S CB 1.210 63.672 63.200 -1.230 0.000 1.034 160 S HN 0.571 nan 8.310 nan 0.000 0.569 161 F N -1.452 118.410 119.950 -0.146 0.000 2.593 161 F HA 0.597 5.124 4.527 -0.000 0.000 0.320 161 F C 0.306 176.164 175.800 0.097 0.000 1.060 161 F CA -0.976 57.016 58.000 -0.014 0.000 0.940 161 F CB 1.530 40.547 39.000 0.027 0.000 1.268 161 F HN 0.665 nan 8.300 nan 0.000 0.475 162 C N 0.414 119.827 119.300 0.188 0.000 2.345 162 C HA 0.706 5.166 4.460 0.000 0.000 0.370 162 C C 1.439 176.231 174.990 -0.331 0.000 1.209 162 C CA -0.028 59.015 59.018 0.042 0.000 2.133 162 C CB 1.373 29.102 27.740 -0.019 0.000 2.293 162 C HN 0.970 nan 8.230 nan 0.000 0.544 163 A N 0.359 122.752 122.820 -0.712 0.000 1.997 163 A HA 0.382 4.702 4.320 0.000 0.000 0.212 163 A C 0.576 177.744 177.584 -0.692 0.000 1.178 163 A CA 1.132 52.454 52.037 -1.192 0.000 0.698 163 A CB -0.167 17.847 19.000 -1.643 0.000 0.842 163 A HN 1.283 nan 8.150 nan 0.000 0.458 164 V N -4.676 115.020 119.914 -0.363 0.000 2.925 164 V HA 0.505 4.625 4.120 0.000 0.000 0.311 164 V C -2.347 173.698 176.094 -0.083 0.000 1.104 164 V CA -1.668 60.528 62.300 -0.173 0.000 0.954 164 V CB 1.863 33.646 31.823 -0.067 0.000 1.022 164 V HN 0.075 nan 8.190 nan 0.000 0.427 165 P HA -0.132 nan 4.420 nan 0.000 0.219 165 P C 0.905 178.200 177.300 -0.008 0.000 1.146 165 P CA 1.424 64.508 63.100 -0.027 0.000 0.808 165 P CB 0.422 32.107 31.700 -0.025 0.000 0.779 166 E N -0.273 119.934 120.200 0.013 0.000 2.347 166 E HA 0.237 4.587 4.350 0.000 0.000 0.196 166 E C 1.122 177.743 176.600 0.036 0.000 1.008 166 E CA 0.838 57.262 56.400 0.040 0.000 0.852 166 E CB -0.558 29.195 29.700 0.089 0.000 0.783 166 E HN 0.360 nan 8.360 nan 0.000 0.505 167 G N -0.456 108.354 108.800 0.017 0.000 2.640 167 G HA2 0.239 4.199 3.960 0.000 0.000 0.686 167 G HA3 0.239 4.199 3.960 0.000 0.000 0.686 167 G C -0.336 174.582 174.900 0.030 0.000 1.229 167 G CA -0.496 44.617 45.100 0.020 0.000 0.796 167 G HN 0.612 nan 8.290 nan 0.000 0.654 168 S N -0.504 115.221 115.700 0.042 0.000 2.669 168 S HA 0.727 5.197 4.470 0.000 0.000 0.266 168 S C -0.427 174.244 174.600 0.118 0.000 1.149 168 S CA 0.131 58.379 58.200 0.080 0.000 0.842 168 S CB 1.371 64.607 63.200 0.061 0.000 1.160 168 S HN 2.086 nan 8.310 nan 0.000 0.487 169 E N 1.389 121.693 120.200 0.174 0.000 2.409 169 E HA 0.293 4.643 4.350 0.000 0.000 0.257 169 E C -0.805 175.943 176.600 0.248 0.000 1.150 169 E CA -0.379 56.123 56.400 0.169 0.000 0.942 169 E CB 0.085 29.875 29.700 0.149 0.000 0.979 169 E HN 0.757 nan 8.360 nan 0.000 0.447 170 N N 0.635 119.433 118.700 0.163 0.000 2.249 170 N HA 0.401 5.141 4.740 0.000 0.000 0.296 170 N C -1.356 174.190 175.510 0.059 0.000 1.051 170 N CA -0.521 52.632 53.050 0.171 0.000 0.815 170 N CB 2.153 40.688 38.487 0.080 0.000 1.487 170 N HN 0.638 nan 8.380 nan 0.000 0.475 171 D N -0.306 120.087 120.400 -0.011 0.000 2.879 171 D HA 0.113 4.753 4.640 0.000 0.000 0.346 171 D C 0.558 176.854 176.300 -0.006 0.000 1.390 171 D CA -0.658 53.341 54.000 -0.001 0.000 0.838 171 D CB 0.442 41.203 40.800 -0.065 0.000 1.416 171 D HN 0.214 nan 8.370 nan 0.000 0.493 172 M N 0.033 119.703 119.600 0.117 0.000 2.202 172 M HA 0.060 4.540 4.480 0.000 0.000 0.262 172 M C 1.826 178.142 176.300 0.027 0.000 1.063 172 M CA 1.754 57.138 55.300 0.139 0.000 1.097 172 M CB -0.398 32.270 32.600 0.112 0.000 1.382 172 M HN 0.456 nan 8.290 nan 0.000 0.413 173 R N -1.279 119.128 120.500 -0.155 0.000 2.096 173 R HA -0.175 4.165 4.340 0.000 0.000 0.240 173 R C 2.062 178.376 176.300 0.024 0.000 1.139 173 R CA 2.080 58.083 56.100 -0.162 0.000 0.952 173 R CB -0.729 29.301 30.300 -0.451 0.000 0.854 173 R HN 0.429 nan 8.270 nan 0.000 0.436 174 F N -0.361 119.642 119.950 0.089 0.000 2.456 174 F HA -0.079 4.448 4.527 0.000 0.000 0.298 174 F C 2.238 177.992 175.800 -0.076 0.000 1.104 174 F CA -0.139 57.874 58.000 0.022 0.000 1.435 174 F CB 0.025 39.057 39.000 0.052 0.000 1.078 174 F HN -0.166 nan 8.300 nan 0.000 0.546 175 V N -0.390 119.631 119.914 0.180 0.000 2.358 175 V HA -0.321 3.799 4.120 0.000 0.000 0.246 175 V C 2.034 178.139 176.094 0.018 0.000 1.047 175 V CA 1.752 64.131 62.300 0.132 0.000 1.035 175 V CB -0.750 31.219 31.823 0.243 0.000 0.658 175 V HN 0.382 nan 8.190 nan 0.000 0.452 176 Y N 0.219 120.497 120.300 -0.036 0.000 2.224 176 Y HA -0.256 4.294 4.550 0.000 0.000 0.289 176 Y C 2.515 178.285 175.900 -0.218 0.000 1.146 176 Y CA 1.594 59.642 58.100 -0.086 0.000 1.182 176 Y CB -0.687 37.761 38.460 -0.021 0.000 0.983 176 Y HN 0.238 nan 8.280 nan 0.000 0.524 177 C N 0.249 119.383 119.300 -0.277 0.000 2.432 177 C HA -0.117 4.343 4.460 0.000 0.000 0.277 177 C C 3.078 177.777 174.990 -0.485 0.000 1.249 177 C CA 1.233 59.979 59.018 -0.453 0.000 1.725 177 C CB -1.724 25.977 27.740 -0.065 0.000 2.028 177 C HN 0.735 nan 8.230 nan 0.000 0.477 178 A N 0.378 122.884 122.820 -0.523 0.000 1.877 178 A HA -0.168 4.152 4.320 0.000 0.000 0.216 178 A C 2.261 179.565 177.584 -0.467 0.000 1.186 178 A CA 2.361 54.005 52.037 -0.656 0.000 0.620 178 A CB -0.860 17.282 19.000 -1.430 0.000 0.822 178 A HN 0.559 nan 8.150 nan 0.000 0.443 179 S N -0.834 114.653 115.700 -0.354 0.000 2.359 179 S HA -0.223 4.247 4.470 0.000 0.000 0.224 179 S C 1.959 176.341 174.600 -0.364 0.000 1.035 179 S CA 1.518 59.605 58.200 -0.190 0.000 1.018 179 S CB -0.771 62.442 63.200 0.022 0.000 0.876 179 S HN 0.715 nan 8.310 nan 0.000 0.448 180 C N 1.246 120.229 119.300 -0.529 0.000 2.425 180 C HA -0.000 4.460 4.460 0.000 0.000 0.277 180 C C 2.443 177.285 174.990 -0.246 0.000 1.280 180 C CA 0.279 59.028 59.018 -0.449 0.000 1.744 180 C CB -1.402 25.847 27.740 -0.818 0.000 1.989 180 C HN 0.544 nan 8.230 nan 0.000 0.491 181 I N -0.025 120.368 120.570 -0.294 0.000 2.142 181 I HA -0.238 3.932 4.170 0.000 0.000 0.240 181 I C 2.609 178.553 176.117 -0.288 0.000 1.078 181 I CA 1.502 62.676 61.300 -0.209 0.000 1.343 181 I CB -0.577 37.302 38.000 -0.202 0.000 1.046 181 I HN 0.353 nan 8.210 nan 0.000 0.405 182 C N -0.166 118.831 119.300 -0.506 0.000 2.413 182 C HA -0.244 4.216 4.460 0.000 0.000 0.276 182 C C 2.807 177.262 174.990 -0.892 0.000 1.248 182 C CA 0.836 59.361 59.018 -0.821 0.000 1.742 182 C CB -1.070 25.855 27.740 -1.357 0.000 2.017 182 C HN 0.510 nan 8.230 nan 0.000 0.481 183 Y N 0.975 120.769 120.300 -0.844 0.000 2.145 183 Y HA -0.199 4.351 4.550 -0.000 0.000 0.286 183 Y C 2.503 178.361 175.900 -0.069 0.000 1.145 183 Y CA 1.822 59.724 58.100 -0.331 0.000 1.148 183 Y CB -0.370 38.043 38.460 -0.078 0.000 0.981 183 Y HN 0.243 nan 8.280 nan 0.000 0.507 184 M N -0.626 119.041 119.600 0.112 0.000 2.175 184 M HA -0.182 4.298 4.480 0.000 0.000 0.264 184 M C 1.700 178.147 176.300 0.245 0.000 1.063 184 M CA 1.403 56.816 55.300 0.188 0.000 1.119 184 M CB -0.247 32.428 32.600 0.125 0.000 1.377 184 M HN 0.249 nan 8.290 nan 0.000 0.415 185 L N 0.081 121.347 121.223 0.072 0.000 2.599 185 L HA 0.017 4.357 4.340 0.000 0.000 0.230 185 L C 0.446 177.341 176.870 0.042 0.000 1.141 185 L CA -0.172 54.751 54.840 0.138 0.000 0.877 185 L CB -0.898 41.153 42.059 -0.013 0.000 1.009 185 L HN 0.440 nan 8.230 nan 0.000 0.447 186 N N 2.112 120.672 118.700 -0.233 0.000 2.707 186 N HA -0.272 4.468 4.740 0.000 0.000 0.253 186 N C -0.465 174.926 175.510 -0.198 0.000 0.998 186 N CA 0.468 53.247 53.050 -0.452 0.000 0.751 186 N CB -0.877 36.996 38.487 -1.024 0.000 0.920 186 N HN 0.486 nan 8.380 nan 0.000 0.539 187 N N -0.009 118.546 118.700 -0.242 0.000 2.616 187 N HA 0.168 4.908 4.740 0.000 0.000 0.281 187 N C -0.898 174.490 175.510 -0.202 0.000 1.145 187 N CA -0.578 52.409 53.050 -0.105 0.000 0.919 187 N CB 0.045 38.492 38.487 -0.067 0.000 1.509 187 N HN 0.272 nan 8.380 nan 0.000 0.537 188 W N 2.058 123.356 121.300 -0.004 0.000 3.400 188 W HA 0.181 4.841 4.660 0.000 0.000 0.347 188 W C 1.772 178.305 176.519 0.024 0.000 1.218 188 W CA -0.156 57.199 57.345 0.016 0.000 1.837 188 W CB 0.087 29.561 29.460 0.023 0.000 1.067 188 W HN 0.659 nan 8.180 nan 0.000 0.701 189 S N -1.412 114.372 115.700 0.140 0.000 2.607 189 S HA 0.024 4.494 4.470 0.000 0.000 0.224 189 S C 1.941 176.590 174.600 0.081 0.000 0.969 189 S CA 0.764 59.025 58.200 0.102 0.000 0.927 189 S CB -0.344 62.890 63.200 0.056 0.000 0.772 189 S HN 0.264 nan 8.310 nan 0.000 0.533 190 G N 1.424 110.258 108.800 0.057 0.000 2.598 190 G HA2 0.293 4.253 3.960 0.000 0.000 0.215 190 G HA3 0.293 4.253 3.960 0.000 0.000 0.215 190 G C 0.398 175.387 174.900 0.149 0.000 1.131 190 G CA 0.602 45.729 45.100 0.046 0.000 0.785 190 G HN 0.740 nan 8.290 nan 0.000 0.539 191 M N -2.172 117.555 119.600 0.212 0.000 2.622 191 M HA 0.506 4.986 4.480 0.000 0.000 0.276 191 M C -2.112 174.322 176.300 0.224 0.000 1.265 191 M CA -1.049 54.437 55.300 0.310 0.000 0.850 191 M CB 2.156 35.056 32.600 0.501 0.000 1.720 191 M HN -0.174 nan 8.290 nan 0.000 0.465 192 D N 1.993 122.489 120.400 0.161 0.000 2.500 192 D HA 0.254 4.894 4.640 0.000 0.000 0.219 192 D C 0.634 177.004 176.300 0.115 0.000 1.137 192 D CA -0.194 53.863 54.000 0.095 0.000 0.946 192 D CB 0.869 41.686 40.800 0.028 0.000 1.022 192 D HN 0.848 nan 8.370 nan 0.000 0.518 193 M N 3.167 122.848 119.600 0.135 0.000 2.144 193 M HA -0.221 4.259 4.480 0.000 0.000 0.260 193 M C 1.846 178.175 176.300 0.047 0.000 1.067 193 M CA 1.520 56.884 55.300 0.106 0.000 1.095 193 M CB 0.153 32.772 32.600 0.031 0.000 1.365 193 M HN 0.265 nan 8.290 nan 0.000 0.406 194 K N 0.141 120.556 120.400 0.025 0.000 2.026 194 K HA -0.199 4.121 4.320 0.000 0.000 0.208 194 K C 1.829 178.439 176.600 0.016 0.000 1.048 194 K CA 1.633 57.922 56.287 0.003 0.000 0.929 194 K CB -0.007 32.491 32.500 -0.003 0.000 0.713 194 K HN 0.354 nan 8.250 nan 0.000 0.439 195 K N -0.137 120.279 120.400 0.025 0.000 2.097 195 K HA -0.085 4.235 4.320 0.000 0.000 0.205 195 K C 2.122 178.763 176.600 0.069 0.000 1.050 195 K CA 1.040 57.343 56.287 0.027 0.000 0.938 195 K CB -0.073 32.422 32.500 -0.009 0.000 0.718 195 K HN 0.192 nan 8.250 nan 0.000 0.442 196 A N 1.600 124.478 122.820 0.097 0.000 1.877 196 A HA -0.146 4.174 4.320 0.000 0.000 0.216 196 A C 2.091 179.772 177.584 0.162 0.000 1.186 196 A CA 1.254 53.395 52.037 0.174 0.000 0.620 196 A CB -0.574 18.582 19.000 0.260 0.000 0.822 196 A HN 0.167 nan 8.150 nan 0.000 0.443 197 I N -0.461 120.156 120.570 0.079 0.000 2.286 197 I HA -0.228 3.942 4.170 0.000 0.000 0.248 197 I C 2.836 178.949 176.117 -0.005 0.000 1.115 197 I CA 1.484 62.788 61.300 0.007 0.000 1.392 197 I CB -0.266 37.700 38.000 -0.056 0.000 1.065 197 I HN 0.449 nan 8.210 nan 0.000 0.418 198 S N 0.301 116.015 115.700 0.024 0.000 2.368 198 S HA -0.278 4.192 4.470 0.000 0.000 0.225 198 S C 2.197 176.825 174.600 0.047 0.000 1.030 198 S CA 1.390 59.600 58.200 0.016 0.000 0.999 198 S CB -0.465 62.752 63.200 0.029 0.000 0.844 198 S HN 0.497 nan 8.310 nan 0.000 0.459 199 Y N 1.818 122.116 120.300 -0.003 0.000 2.145 199 Y HA -0.058 4.492 4.550 0.000 0.000 0.286 199 Y C 1.959 177.871 175.900 0.020 0.000 1.145 199 Y CA 1.876 59.983 58.100 0.012 0.000 1.148 199 Y CB -0.397 38.082 38.460 0.032 0.000 0.981 199 Y HN 0.309 nan 8.280 nan 0.000 0.507 200 I N -0.308 120.328 120.570 0.110 0.000 2.226 200 I HA -0.330 3.840 4.170 0.000 0.000 0.245 200 I C 2.575 178.699 176.117 0.012 0.000 1.100 200 I CA 1.424 62.758 61.300 0.056 0.000 1.374 200 I CB -0.450 37.606 38.000 0.094 0.000 1.057 200 I HN 0.173 nan 8.210 nan 0.000 0.413 201 R N 0.281 120.756 120.500 -0.042 0.000 2.073 201 R HA -0.110 4.230 4.340 0.000 0.000 0.234 201 R C 2.619 178.918 176.300 -0.002 0.000 1.134 201 R CA 1.254 57.348 56.100 -0.010 0.000 0.952 201 R CB -0.266 29.972 30.300 -0.104 0.000 0.850 201 R HN 0.186 nan 8.270 nan 0.000 0.433 202 R N 0.291 120.740 120.500 -0.086 0.000 2.241 202 R HA -0.050 4.290 4.340 0.000 0.000 0.224 202 R C 2.249 178.444 176.300 -0.175 0.000 1.101 202 R CA 1.278 57.306 56.100 -0.120 0.000 0.995 202 R CB -0.849 29.364 30.300 -0.145 0.000 0.870 202 R HN 0.543 nan 8.270 nan 0.000 0.463 203 S N -0.648 114.919 115.700 -0.220 0.000 2.558 203 S HA 0.119 4.589 4.470 0.000 0.000 0.217 203 S C 0.878 175.379 174.600 -0.165 0.000 0.975 203 S CA -0.080 57.980 58.200 -0.234 0.000 0.912 203 S CB -0.269 62.764 63.200 -0.278 0.000 0.776 203 S HN 0.488 nan 8.310 nan 0.000 0.526 204 M N 3.099 122.635 119.600 -0.107 0.000 2.246 204 M HA 0.234 4.714 4.480 0.000 0.000 0.350 204 M C 0.344 176.546 176.300 -0.163 0.000 1.406 204 M CA 0.001 55.212 55.300 -0.148 0.000 1.089 204 M CB 0.766 33.322 32.600 -0.073 0.000 1.782 204 M HN 0.314 nan 8.290 nan 0.000 0.457 205 S N 3.494 119.036 115.700 -0.264 0.000 2.681 205 S HA 0.192 4.662 4.470 0.000 0.000 0.270 205 S C 0.741 175.198 174.600 -0.237 0.000 1.209 205 S CA -0.421 57.618 58.200 -0.268 0.000 0.988 205 S CB 0.494 63.424 63.200 -0.449 0.000 1.006 205 S HN 0.745 nan 8.310 nan 0.000 0.558 206 Y N 0.686 120.947 120.300 -0.066 0.000 2.352 206 Y HA 0.056 4.606 4.550 0.000 0.000 0.292 206 Y C 1.511 177.398 175.900 -0.022 0.000 1.136 206 Y CA 1.287 59.365 58.100 -0.036 0.000 1.227 206 Y CB -0.783 37.667 38.460 -0.017 0.000 0.991 206 Y HN 0.634 nan 8.280 nan 0.000 0.545 207 D N -1.046 118.916 120.400 -0.731 0.000 2.340 207 D HA -0.055 4.585 4.640 0.000 0.000 0.220 207 D C 0.199 176.398 176.300 -0.168 0.000 1.039 207 D CA 0.449 54.255 54.000 -0.323 0.000 0.866 207 D CB -0.661 39.940 40.800 -0.332 0.000 0.913 207 D HN 0.468 nan 8.370 nan 0.000 0.523 208 N N -1.026 117.502 118.700 -0.286 0.000 2.965 208 N HA -0.095 4.645 4.740 0.000 0.000 0.232 208 N C 0.656 175.855 175.510 -0.519 0.000 0.913 208 N CA 1.122 54.003 53.050 -0.282 0.000 0.981 208 N CB -1.488 36.938 38.487 -0.101 0.000 1.077 208 N HN 0.494 nan 8.380 nan 0.000 0.589 209 G N -0.001 108.183 108.800 -1.025 0.000 2.535 209 G HA2 0.612 4.572 3.960 0.000 0.000 0.303 209 G HA3 0.612 4.572 3.960 0.000 0.000 0.303 209 G C -0.300 174.083 174.900 -0.861 0.000 1.237 209 G CA -0.368 43.798 45.100 -1.557 0.000 0.986 209 G HN 0.030 nan 8.290 nan 0.000 0.494 210 L N 0.316 121.115 121.223 -0.706 0.000 2.307 210 L HA 0.692 5.032 4.340 0.000 0.000 0.284 210 L C 0.752 177.437 176.870 -0.309 0.000 1.023 210 L CA -0.555 54.057 54.840 -0.380 0.000 0.810 210 L CB 1.206 43.130 42.059 -0.225 0.000 1.231 210 L HN 0.712 nan 8.230 nan 0.000 0.423 211 A N 2.163 124.848 122.820 -0.225 0.000 2.263 211 A HA 0.509 4.829 4.320 0.000 0.000 0.318 211 A C 0.768 178.287 177.584 -0.107 0.000 1.111 211 A CA -0.343 51.604 52.037 -0.150 0.000 0.901 211 A CB 0.623 19.542 19.000 -0.135 0.000 1.280 211 A HN 0.695 nan 8.150 nan 0.000 0.503 212 Q N -0.617 119.133 119.800 -0.083 0.000 2.226 212 Q HA 0.077 4.417 4.340 0.000 0.000 0.204 212 Q C 0.744 176.759 176.000 0.025 0.000 0.975 212 Q CA 1.395 57.171 55.803 -0.045 0.000 0.866 212 Q CB -0.064 28.628 28.738 -0.077 0.000 0.915 212 Q HN 0.900 nan 8.270 nan 0.000 0.440 213 G N -1.412 107.352 108.800 -0.059 0.000 2.576 213 G HA2 0.519 4.479 3.960 0.000 0.000 0.290 213 G HA3 0.519 4.479 3.960 0.000 0.000 0.290 213 G C -1.540 173.258 174.900 -0.169 0.000 1.442 213 G CA -0.381 44.640 45.100 -0.132 0.000 0.792 213 G HN 0.139 nan 8.290 nan 0.000 0.491 214 A N -0.747 121.941 122.820 -0.219 0.000 2.565 214 A HA 0.517 4.837 4.320 0.000 0.000 0.237 214 A C 1.774 179.320 177.584 -0.063 0.000 1.053 214 A CA 1.807 53.760 52.037 -0.140 0.000 0.755 214 A CB -0.332 18.595 19.000 -0.121 0.000 0.980 214 A HN 2.849 nan 8.150 nan 0.000 0.506 215 G N 0.865 109.639 108.800 -0.042 0.000 2.304 215 G HA2 -0.199 3.761 3.960 0.000 0.000 0.252 215 G HA3 -0.199 3.761 3.960 0.000 0.000 0.252 215 G C 0.217 175.120 174.900 0.006 0.000 1.014 215 G CA 0.383 45.482 45.100 -0.002 0.000 0.619 215 G HN 0.781 nan 8.290 nan 0.000 0.525 216 L N 1.362 122.573 121.223 -0.021 0.000 2.476 216 L HA 0.450 4.790 4.340 0.000 0.000 0.255 216 L C 1.082 177.938 176.870 -0.024 0.000 1.218 216 L CA -0.445 54.386 54.840 -0.015 0.000 0.819 216 L CB 0.570 42.611 42.059 -0.029 0.000 1.119 216 L HN 0.498 nan 8.230 nan 0.000 0.485 217 E N 0.465 120.664 120.200 -0.003 0.000 2.366 217 E HA 0.094 4.444 4.350 0.000 0.000 0.266 217 E C -0.229 176.346 176.600 -0.042 0.000 1.015 217 E CA -0.403 55.996 56.400 -0.001 0.000 0.906 217 E CB 0.643 30.370 29.700 0.045 0.000 0.979 217 E HN 0.631 nan 8.360 nan 0.000 0.443 218 S N 4.559 120.173 115.700 -0.143 0.000 2.563 218 S HA -0.006 4.464 4.470 0.000 0.000 0.284 218 S C -0.181 174.391 174.600 -0.047 0.000 1.331 218 S CA -0.356 57.672 58.200 -0.285 0.000 1.047 218 S CB 0.792 63.572 63.200 -0.699 0.000 0.859 218 S HN 0.686 nan 8.310 nan 0.000 0.514 219 H N 0.630 119.583 119.070 -0.194 0.000 2.996 219 H HA 0.355 4.911 4.556 0.000 0.000 0.368 219 H C 1.118 176.523 175.328 0.128 0.000 1.185 219 H CA 0.007 56.079 56.048 0.040 0.000 1.160 219 H CB 1.517 31.264 29.762 -0.024 0.000 1.820 219 H HN 0.721 nan 8.280 nan 0.000 0.547 220 G N 1.873 110.666 108.800 -0.012 0.000 2.442 220 G HA2 -0.261 3.699 3.960 0.000 0.000 0.219 220 G HA3 -0.261 3.699 3.960 0.000 0.000 0.219 220 G C 1.450 176.519 174.900 0.281 0.000 1.141 220 G CA 0.893 46.135 45.100 0.236 0.000 0.763 220 G HN 0.659 nan 8.290 nan 0.000 0.554 221 G N 0.890 109.904 108.800 0.358 0.000 2.404 221 G HA2 -0.154 3.806 3.960 0.000 0.000 0.215 221 G HA3 -0.154 3.806 3.960 0.000 0.000 0.215 221 G C 2.223 177.093 174.900 -0.049 0.000 1.174 221 G CA 1.819 46.850 45.100 -0.116 0.000 0.780 221 G HN 0.647 nan 8.290 nan 0.000 0.537 222 S N 0.033 115.769 115.700 0.061 0.000 2.406 222 S HA -0.076 4.394 4.470 0.000 0.000 0.228 222 S C 2.219 176.812 174.600 -0.012 0.000 1.020 222 S CA 1.781 59.968 58.200 -0.021 0.000 0.965 222 S CB -0.587 62.582 63.200 -0.052 0.000 0.798 222 S HN 0.261 nan 8.310 nan 0.000 0.488 223 T N 2.071 116.630 114.554 0.008 0.000 2.777 223 T HA 0.015 4.365 4.350 0.000 0.000 0.266 223 T C 1.278 175.993 174.700 0.026 0.000 1.040 223 T CA 1.385 63.468 62.100 -0.028 0.000 1.141 223 T CB -0.538 68.315 68.868 -0.025 0.000 0.868 223 T HN 0.499 nan 8.240 nan 0.000 0.444 224 F N 1.538 121.479 119.950 -0.015 0.000 2.075 224 F HA -0.161 4.366 4.527 0.000 0.000 0.297 224 F C 2.422 178.168 175.800 -0.090 0.000 1.113 224 F CA 0.754 58.735 58.000 -0.033 0.000 1.218 224 F CB -0.891 38.133 39.000 0.041 0.000 0.984 224 F HN 0.148 nan 8.300 nan 0.000 0.472 225 C N 1.069 120.244 119.300 -0.208 0.000 2.413 225 C HA -0.118 4.342 4.460 0.000 0.000 0.276 225 C C 3.098 178.008 174.990 -0.134 0.000 1.248 225 C CA 1.294 60.143 59.018 -0.282 0.000 1.742 225 C CB -1.982 25.734 27.740 -0.039 0.000 2.017 225 C HN 0.756 nan 8.230 nan 0.000 0.481 226 G N 0.612 109.376 108.800 -0.060 0.000 2.434 226 G HA2 -0.111 3.849 3.960 0.000 0.000 0.214 226 G HA3 -0.111 3.849 3.960 0.000 0.000 0.214 226 G C 1.379 176.287 174.900 0.013 0.000 1.202 226 G CA 0.758 45.874 45.100 0.026 0.000 0.788 226 G HN 0.349 nan 8.290 nan 0.000 0.539 227 I N 2.109 122.655 120.570 -0.041 0.000 2.163 227 I HA -0.164 4.006 4.170 0.000 0.000 0.243 227 I C 3.289 179.354 176.117 -0.087 0.000 1.085 227 I CA 1.317 62.604 61.300 -0.022 0.000 1.347 227 I CB -1.408 36.567 38.000 -0.041 0.000 1.044 227 I HN 0.263 nan 8.210 nan 0.000 0.408 228 A N 0.160 122.804 122.820 -0.293 0.000 1.933 228 A HA -0.175 4.145 4.320 0.000 0.000 0.218 228 A C 2.598 180.185 177.584 0.004 0.000 1.175 228 A CA 2.068 53.950 52.037 -0.258 0.000 0.628 228 A CB -0.720 17.823 19.000 -0.762 0.000 0.814 228 A HN 0.426 nan 8.150 nan 0.000 0.444 229 S N -0.186 115.552 115.700 0.064 0.000 2.356 229 S HA -0.085 4.385 4.470 0.000 0.000 0.223 229 S C 1.839 176.502 174.600 0.106 0.000 1.032 229 S CA 1.430 59.717 58.200 0.144 0.000 1.005 229 S CB -0.440 62.857 63.200 0.163 0.000 0.867 229 S HN 0.527 nan 8.310 nan 0.000 0.449 230 L N 0.678 121.937 121.223 0.060 0.000 2.046 230 L HA -0.170 4.170 4.340 0.000 0.000 0.208 230 L C 2.606 179.489 176.870 0.022 0.000 1.077 230 L CA 0.947 55.801 54.840 0.024 0.000 0.747 230 L CB -0.787 41.291 42.059 0.031 0.000 0.896 230 L HN 0.415 nan 8.230 nan 0.000 0.432 231 C N -0.491 118.832 119.300 0.039 0.000 2.429 231 C HA -0.153 4.307 4.460 0.000 0.000 0.277 231 C C 2.648 177.682 174.990 0.074 0.000 1.262 231 C CA 0.188 59.235 59.018 0.048 0.000 1.733 231 C CB -0.783 26.983 27.740 0.044 0.000 2.010 231 C HN 0.401 nan 8.230 nan 0.000 0.483 232 L N 0.196 121.474 121.223 0.091 0.000 2.191 232 L HA -0.043 4.297 4.340 0.000 0.000 0.212 232 L C 2.249 179.303 176.870 0.307 0.000 1.103 232 L CA 1.769 56.704 54.840 0.158 0.000 0.769 232 L CB -0.643 41.512 42.059 0.161 0.000 0.908 232 L HN 0.381 nan 8.230 nan 0.000 0.438 233 M N -1.797 117.816 119.600 0.022 0.000 2.502 233 M HA 0.250 4.730 4.480 0.000 0.000 0.243 233 M C 1.227 177.390 176.300 -0.228 0.000 1.130 233 M CA 0.641 55.694 55.300 -0.412 0.000 1.055 233 M CB -0.004 32.318 32.600 -0.465 0.000 1.457 233 M HN 0.270 nan 8.290 nan 0.000 0.488 234 G N 2.036 110.805 108.800 -0.051 0.000 2.272 234 G HA2 -0.241 3.719 3.960 0.000 0.000 0.280 234 G HA3 -0.241 3.719 3.960 0.000 0.000 0.280 234 G C 0.345 175.211 174.900 -0.056 0.000 1.067 234 G CA 0.177 45.265 45.100 -0.020 0.000 0.902 234 G HN 0.505 nan 8.290 nan 0.000 0.500 235 K N -0.609 119.752 120.400 -0.065 0.000 2.564 235 K HA 0.306 4.626 4.320 0.000 0.000 0.201 235 K C 1.983 178.553 176.600 -0.049 0.000 1.086 235 K CA -0.509 55.734 56.287 -0.074 0.000 1.062 235 K CB 0.387 32.816 32.500 -0.119 0.000 0.849 235 K HN 0.387 nan 8.250 nan 0.000 0.529 236 L N 1.635 122.857 121.223 -0.002 0.000 1.956 236 L HA -0.232 4.108 4.340 0.000 0.000 0.216 236 L C 1.883 178.790 176.870 0.061 0.000 1.073 236 L CA 1.901 56.773 54.840 0.052 0.000 0.762 236 L CB -0.009 42.097 42.059 0.079 0.000 0.889 236 L HN 0.282 nan 8.230 nan 0.000 0.433 237 E N -0.396 119.832 120.200 0.047 0.000 2.160 237 E HA -0.309 4.041 4.350 0.000 0.000 0.195 237 E C 1.866 178.477 176.600 0.019 0.000 0.991 237 E CA 1.401 57.830 56.400 0.047 0.000 0.810 237 E CB -0.210 29.511 29.700 0.034 0.000 0.742 237 E HN 0.627 nan 8.360 nan 0.000 0.466 238 E N 0.758 120.947 120.200 -0.018 0.000 2.285 238 E HA -0.077 4.273 4.350 0.000 0.000 0.194 238 E C 1.850 178.397 176.600 -0.087 0.000 0.997 238 E CA 0.404 56.778 56.400 -0.044 0.000 0.845 238 E CB 0.434 30.101 29.700 -0.056 0.000 0.782 238 E HN 0.021 nan 8.360 nan 0.000 0.491 239 V N 0.142 119.967 119.914 -0.148 0.000 2.685 239 V HA 0.088 4.208 4.120 0.000 0.000 0.244 239 V C 0.518 176.373 176.094 -0.399 0.000 1.054 239 V CA 0.717 62.820 62.300 -0.327 0.000 1.076 239 V CB 0.026 31.545 31.823 -0.507 0.000 0.725 239 V HN 0.087 nan 8.190 nan 0.000 0.467 240 F N 0.685 120.628 119.950 -0.012 0.000 2.469 240 F HA 0.494 5.021 4.527 -0.000 0.000 0.332 240 F C 0.883 176.680 175.800 -0.004 0.000 1.103 240 F CA -0.747 57.247 58.000 -0.011 0.000 0.979 240 F CB 1.636 40.629 39.000 -0.012 0.000 1.137 240 F HN -0.016 nan 8.300 nan 0.000 0.463 241 S N 1.054 116.880 115.700 0.210 0.000 2.608 241 S HA 0.055 4.525 4.470 0.000 0.000 0.261 241 S C 1.122 175.783 174.600 0.100 0.000 1.314 241 S CA -0.396 57.872 58.200 0.113 0.000 0.992 241 S CB 1.208 64.458 63.200 0.083 0.000 0.935 241 S HN 0.883 nan 8.310 nan 0.000 0.564 242 E N 0.589 120.829 120.200 0.066 0.000 2.110 242 E HA -0.193 4.157 4.350 0.000 0.000 0.193 242 E C 2.059 178.683 176.600 0.039 0.000 0.988 242 E CA 1.383 57.814 56.400 0.052 0.000 0.804 242 E CB -0.198 29.526 29.700 0.039 0.000 0.745 242 E HN 0.576 nan 8.360 nan 0.000 0.458 243 K N 0.492 120.914 120.400 0.036 0.000 2.057 243 K HA -0.168 4.152 4.320 0.000 0.000 0.207 243 K C 1.846 178.454 176.600 0.013 0.000 1.049 243 K CA 1.829 58.131 56.287 0.024 0.000 0.931 243 K CB -0.350 32.165 32.500 0.025 0.000 0.714 243 K HN 0.413 nan 8.250 nan 0.000 0.440 244 E N 0.098 120.312 120.200 0.024 0.000 2.051 244 E HA -0.074 4.276 4.350 0.000 0.000 0.192 244 E C 2.217 178.755 176.600 -0.103 0.000 0.991 244 E CA 1.697 58.082 56.400 -0.025 0.000 0.799 244 E CB -0.216 29.523 29.700 0.066 0.000 0.748 244 E HN 0.334 nan 8.360 nan 0.000 0.449 245 L N 1.344 122.542 121.223 -0.041 0.000 2.127 245 L HA -0.204 4.136 4.340 0.000 0.000 0.211 245 L C 2.015 178.870 176.870 -0.025 0.000 1.089 245 L CA 0.655 55.466 54.840 -0.050 0.000 0.757 245 L CB -0.434 41.645 42.059 0.032 0.000 0.899 245 L HN 0.163 nan 8.230 nan 0.000 0.434 246 N N 0.211 118.909 118.700 -0.004 0.000 2.188 246 N HA -0.123 4.617 4.740 0.000 0.000 0.184 246 N C 1.913 177.428 175.510 0.008 0.000 1.018 246 N CA 1.065 54.121 53.050 0.010 0.000 0.858 246 N CB -0.158 38.336 38.487 0.013 0.000 0.989 246 N HN 0.368 nan 8.380 nan 0.000 0.426 247 R N 0.520 121.012 120.500 -0.013 0.000 2.075 247 R HA 0.105 4.445 4.340 0.000 0.000 0.232 247 R C 2.256 178.560 176.300 0.007 0.000 1.126 247 R CA 0.708 56.805 56.100 -0.005 0.000 0.963 247 R CB -0.246 30.036 30.300 -0.030 0.000 0.858 247 R HN 0.218 nan 8.270 nan 0.000 0.435 248 I N 1.154 121.685 120.570 -0.065 0.000 2.179 248 I HA -0.282 3.888 4.170 0.000 0.000 0.242 248 I C 2.132 178.299 176.117 0.083 0.000 1.088 248 I CA 1.447 62.711 61.300 -0.060 0.000 1.357 248 I CB -0.231 37.632 38.000 -0.228 0.000 1.051 248 I HN 0.122 nan 8.210 nan 0.000 0.409 249 K N 0.357 120.791 120.400 0.057 0.000 2.063 249 K HA -0.252 4.068 4.320 0.000 0.000 0.208 249 K C 2.253 178.922 176.600 0.115 0.000 1.048 249 K CA 1.480 57.826 56.287 0.098 0.000 0.928 249 K CB -0.233 32.315 32.500 0.081 0.000 0.713 249 K HN 0.071 nan 8.250 nan 0.000 0.442 250 R N 0.531 121.088 120.500 0.095 0.000 2.073 250 R HA -0.183 4.157 4.340 0.000 0.000 0.234 250 R C 1.853 178.212 176.300 0.098 0.000 1.134 250 R CA 1.670 57.817 56.100 0.077 0.000 0.952 250 R CB -0.799 29.537 30.300 0.060 0.000 0.850 250 R HN 0.390 nan 8.270 nan 0.000 0.433 251 W N -0.104 121.182 121.300 -0.022 0.000 2.355 251 W HA -0.227 4.433 4.660 -0.000 0.000 0.309 251 W C 2.046 178.573 176.519 0.013 0.000 1.206 251 W CA 1.773 59.103 57.345 -0.025 0.000 1.284 251 W CB -0.591 28.829 29.460 -0.067 0.000 1.145 251 W HN 0.158 nan 8.180 nan 0.000 0.502 252 C N -0.156 119.326 119.300 0.304 0.000 2.436 252 C HA -0.212 4.248 4.460 0.000 0.000 0.277 252 C C 2.680 177.714 174.990 0.073 0.000 1.241 252 C CA 1.248 60.390 59.018 0.207 0.000 1.721 252 C CB -1.552 26.350 27.740 0.271 0.000 2.043 252 C HN 0.450 nan 8.230 nan 0.000 0.472 253 I N 0.518 121.146 120.570 0.096 0.000 2.700 253 I HA -0.163 4.007 4.170 0.000 0.000 0.261 253 I C 2.002 178.102 176.117 -0.027 0.000 1.219 253 I CA 1.174 62.529 61.300 0.093 0.000 1.463 253 I CB -0.078 37.979 38.000 0.096 0.000 1.092 253 I HN 0.285 nan 8.210 nan 0.000 0.452 254 M N -0.284 119.245 119.600 -0.119 0.000 2.619 254 M HA -0.012 4.468 4.480 0.000 0.000 0.251 254 M C 1.691 177.838 176.300 -0.254 0.000 1.106 254 M CA 0.828 56.013 55.300 -0.191 0.000 1.086 254 M CB -0.838 31.628 32.600 -0.223 0.000 1.465 254 M HN 0.159 nan 8.290 nan 0.000 0.506 255 R N 0.303 120.658 120.500 -0.241 0.000 2.236 255 R HA 0.037 4.377 4.340 0.000 0.000 0.208 255 R C 0.877 176.902 176.300 -0.459 0.000 1.036 255 R CA 0.198 56.167 56.100 -0.219 0.000 1.001 255 R CB -0.607 29.684 30.300 -0.014 0.000 0.896 255 R HN 0.533 nan 8.270 nan 0.000 0.464 256 Q N 1.185 120.690 119.800 -0.491 0.000 2.293 256 Q HA -0.006 4.334 4.340 0.000 0.000 0.263 256 Q C 0.185 175.832 176.000 -0.587 0.000 1.002 256 Q CA 0.030 55.318 55.803 -0.858 0.000 0.910 256 Q CB 0.875 29.073 28.738 -0.901 0.000 1.185 256 Q HN -0.038 nan 8.270 nan 0.000 0.401 257 Q N 2.729 122.179 119.800 -0.584 0.000 2.442 257 Q HA 0.104 4.444 4.340 0.000 0.000 0.228 257 Q C 0.222 176.043 176.000 -0.298 0.000 0.902 257 Q CA 1.447 57.006 55.803 -0.406 0.000 0.933 257 Q CB 0.590 29.083 28.738 -0.409 0.000 1.071 257 Q HN 0.888 nan 8.270 nan 0.000 0.562 258 N N -1.407 117.097 118.700 -0.327 0.000 2.529 258 N HA 0.039 4.779 4.740 0.000 0.000 0.328 258 N C 0.784 176.171 175.510 -0.206 0.000 0.606 258 N CA 0.420 53.359 53.050 -0.185 0.000 1.182 258 N CB -0.270 38.167 38.487 -0.084 0.000 1.946 258 N HN 0.089 nan 8.380 nan 0.000 1.584 259 G N -1.006 107.613 108.800 -0.302 0.000 2.641 259 G HA2 0.571 4.531 3.960 0.000 0.000 0.239 259 G HA3 0.571 4.531 3.960 0.000 0.000 0.239 259 G C -1.445 173.262 174.900 -0.321 0.000 1.402 259 G CA -0.311 44.661 45.100 -0.212 0.000 1.046 259 G HN 0.133 nan 8.290 nan 0.000 0.565 260 Y N -0.621 119.608 120.300 -0.119 0.000 2.446 260 Y HA 0.441 4.991 4.550 0.000 0.000 0.345 260 Y C 0.618 176.524 175.900 0.009 0.000 0.984 260 Y CA -0.857 57.201 58.100 -0.070 0.000 1.058 260 Y CB 1.763 40.267 38.460 0.074 0.000 1.220 260 Y HN 0.717 nan 8.280 nan 0.000 0.455 261 H N -1.434 117.620 119.070 -0.027 0.000 2.615 261 H HA 0.628 5.184 4.556 0.000 0.000 0.346 261 H C 0.420 175.416 175.328 -0.554 0.000 1.200 261 H CA -0.914 55.008 56.048 -0.209 0.000 1.264 261 H CB 2.001 31.651 29.762 -0.188 0.000 1.699 261 H HN 0.822 nan 8.280 nan 0.000 0.567 262 G N 0.153 108.383 108.800 -0.950 0.000 2.838 262 G HA2 0.129 4.089 3.960 0.000 0.000 0.210 262 G HA3 0.129 4.089 3.960 0.000 0.000 0.210 262 G C 0.377 174.844 174.900 -0.721 0.000 1.153 262 G CA -0.235 44.090 45.100 -1.291 0.000 0.778 262 G HN 0.544 nan 8.290 nan 0.000 0.539 263 R N -0.690 119.391 120.500 -0.698 0.000 2.643 263 R HA 0.318 4.658 4.340 0.000 0.000 0.269 263 R C -3.129 172.659 176.300 -0.853 0.000 1.037 263 R CA -1.823 53.979 56.100 -0.496 0.000 0.894 263 R CB 1.966 32.133 30.300 -0.222 0.000 1.238 263 R HN -0.146 nan 8.270 nan 0.000 0.459 264 P HA -0.057 nan 4.420 nan 0.000 0.265 264 P C -0.540 176.602 177.300 -0.264 0.000 1.187 264 P CA 0.422 63.306 63.100 -0.360 0.000 0.766 264 P CB 0.338 31.961 31.700 -0.129 0.000 0.820 265 N N -0.665 117.963 118.700 -0.121 0.000 2.741 265 N HA -0.170 4.570 4.740 0.000 0.000 0.251 265 N C -0.345 175.130 175.510 -0.058 0.000 1.112 265 N CA 1.287 54.311 53.050 -0.044 0.000 0.750 265 N CB -0.777 37.692 38.487 -0.030 0.000 1.119 265 N HN 0.486 nan 8.380 nan 0.000 0.561 266 K N 0.621 120.942 120.400 -0.131 0.000 2.203 266 K HA 0.466 4.786 4.320 0.000 0.000 0.251 266 K C -2.190 174.459 176.600 0.082 0.000 0.944 266 K CA -1.488 54.763 56.287 -0.060 0.000 0.829 266 K CB 1.842 34.246 32.500 -0.159 0.000 1.125 266 K HN -0.078 nan 8.250 nan 0.000 0.430 267 P HA -0.004 nan 4.420 nan 0.000 0.271 267 P C 0.212 177.631 177.300 0.198 0.000 1.218 267 P CA -0.408 62.746 63.100 0.091 0.000 0.780 267 P CB 0.476 32.172 31.700 -0.008 0.000 0.901 268 V N -0.879 119.084 119.914 0.082 0.000 3.139 268 V HA 0.334 4.454 4.120 0.000 0.000 0.307 268 V C 0.105 176.400 176.094 0.335 0.000 1.095 268 V CA 0.082 62.409 62.300 0.045 0.000 1.160 268 V CB 0.366 31.949 31.823 -0.401 0.000 1.003 268 V HN 0.620 nan 8.190 nan 0.000 0.489 269 D N 1.441 122.080 120.400 0.399 0.000 2.890 269 D HA 0.297 4.937 4.640 0.000 0.000 0.233 269 D C 0.796 177.415 176.300 0.533 0.000 1.306 269 D CA -0.040 54.289 54.000 0.548 0.000 0.929 269 D CB 2.250 43.431 40.800 0.634 0.000 1.512 269 D HN 0.659 nan 8.370 nan 0.000 0.568 270 T N 1.900 116.803 114.554 0.582 0.000 2.649 270 T HA -0.235 4.115 4.350 0.000 0.000 0.268 270 T C 2.024 176.852 174.700 0.214 0.000 1.036 270 T CA 2.370 64.744 62.100 0.457 0.000 1.157 270 T CB -0.603 68.464 68.868 0.331 0.000 0.861 270 T HN 0.786 nan 8.240 nan 0.000 0.445 271 C N 0.274 119.658 119.300 0.141 0.000 2.409 271 C HA -0.048 4.412 4.460 0.000 0.000 0.284 271 C C 2.188 176.899 174.990 -0.465 0.000 1.354 271 C CA -0.196 58.655 59.018 -0.279 0.000 1.787 271 C CB -2.128 25.330 27.740 -0.470 0.000 1.900 271 C HN 0.506 nan 8.230 nan 0.000 0.520 272 Y N 1.763 122.144 120.300 0.134 0.000 2.561 272 Y HA 0.025 4.575 4.550 0.000 0.000 0.291 272 Y C 2.817 178.664 175.900 -0.088 0.000 1.141 272 Y CA 1.324 59.512 58.100 0.147 0.000 1.303 272 Y CB -0.551 38.049 38.460 0.233 0.000 1.015 272 Y HN 0.329 nan 8.280 nan 0.000 0.547 273 S N -0.420 115.280 115.700 0.001 0.000 2.442 273 S HA -0.159 4.311 4.470 0.000 0.000 0.236 273 S C 1.629 176.023 174.600 -0.342 0.000 1.007 273 S CA 1.151 59.257 58.200 -0.158 0.000 0.965 273 S CB -0.351 62.861 63.200 0.020 0.000 0.773 273 S HN 0.551 nan 8.310 nan 0.000 0.504 274 F N -0.005 119.651 119.950 -0.490 0.000 2.315 274 F HA 0.214 4.741 4.527 0.000 0.000 0.284 274 F C 1.582 177.037 175.800 -0.574 0.000 1.049 274 F CA -0.015 57.625 58.000 -0.599 0.000 1.323 274 F CB -0.689 37.893 39.000 -0.696 0.000 1.113 274 F HN 0.155 nan 8.300 nan 0.000 0.544 275 W N 0.562 121.481 121.300 -0.635 0.000 2.301 275 W HA -0.264 4.396 4.660 -0.000 0.000 0.325 275 W C 2.344 178.648 176.519 -0.358 0.000 1.250 275 W CA 1.677 58.638 57.345 -0.641 0.000 1.261 275 W CB -0.969 28.284 29.460 -0.345 0.000 1.157 275 W HN -0.147 nan 8.180 nan 0.000 0.473 276 V N 0.260 120.188 119.914 0.024 0.000 2.346 276 V HA -0.105 4.015 4.120 0.000 0.000 0.244 276 V C 2.401 178.336 176.094 -0.264 0.000 1.037 276 V CA 1.949 64.236 62.300 -0.022 0.000 1.029 276 V CB -1.623 30.217 31.823 0.028 0.000 0.663 276 V HN 0.391 nan 8.190 nan 0.000 0.454 277 G N 0.107 108.555 108.800 -0.587 0.000 2.469 277 G HA2 -0.280 3.680 3.960 0.000 0.000 0.219 277 G HA3 -0.280 3.680 3.960 0.000 0.000 0.219 277 G C 1.738 176.210 174.900 -0.714 0.000 1.150 277 G CA 1.260 45.933 45.100 -0.711 0.000 0.763 277 G HN 0.610 nan 8.290 nan 0.000 0.561 278 A N -0.044 122.343 122.820 -0.721 0.000 1.969 278 A HA 0.036 4.356 4.320 0.000 0.000 0.218 278 A C 2.529 179.995 177.584 -0.196 0.000 1.169 278 A CA 2.349 54.042 52.037 -0.574 0.000 0.635 278 A CB -0.751 17.634 19.000 -1.025 0.000 0.810 278 A HN 0.309 nan 8.150 nan 0.000 0.445 279 T N 0.526 115.039 114.554 -0.069 0.000 2.737 279 T HA -0.071 4.279 4.350 0.000 0.000 0.265 279 T C 1.807 176.526 174.700 0.031 0.000 1.038 279 T CA 1.415 63.540 62.100 0.042 0.000 1.144 279 T CB -0.385 68.555 68.868 0.119 0.000 0.866 279 T HN 0.367 nan 8.240 nan 0.000 0.434 280 L N 0.678 121.924 121.223 0.039 0.000 2.079 280 L HA -0.135 4.205 4.340 0.000 0.000 0.210 280 L C 2.621 179.571 176.870 0.134 0.000 1.081 280 L CA 1.218 56.145 54.840 0.144 0.000 0.752 280 L CB -0.420 41.818 42.059 0.298 0.000 0.896 280 L HN 0.180 nan 8.230 nan 0.000 0.433 281 K N 0.811 121.219 120.400 0.014 0.000 2.057 281 K HA -0.139 4.181 4.320 0.000 0.000 0.206 281 K C 1.952 178.563 176.600 0.018 0.000 1.050 281 K CA 1.471 57.764 56.287 0.011 0.000 0.935 281 K CB -0.323 32.078 32.500 -0.165 0.000 0.715 281 K HN 0.169 nan 8.250 nan 0.000 0.439 282 L N 0.329 121.552 121.223 0.000 0.000 2.131 282 L HA -0.088 4.252 4.340 0.000 0.000 0.210 282 L C 1.723 178.617 176.870 0.040 0.000 1.092 282 L CA 0.824 55.672 54.840 0.014 0.000 0.759 282 L CB -0.254 41.810 42.059 0.008 0.000 0.903 282 L HN 0.173 nan 8.230 nan 0.000 0.435 283 L N -0.563 120.696 121.223 0.059 0.000 2.627 283 L HA 0.026 4.366 4.340 0.000 0.000 0.232 283 L C 0.492 177.418 176.870 0.093 0.000 1.150 283 L CA -0.178 54.707 54.840 0.076 0.000 0.917 283 L CB -0.144 41.966 42.059 0.085 0.000 1.104 283 L HN 0.116 nan 8.230 nan 0.000 0.445 284 K N 0.403 120.853 120.400 0.084 0.000 3.069 284 K HA -0.199 4.121 4.320 0.000 0.000 0.267 284 K C 0.506 177.161 176.600 0.092 0.000 1.082 284 K CA 1.175 57.509 56.287 0.078 0.000 0.782 284 K CB -1.667 30.874 32.500 0.069 0.000 1.230 284 K HN 0.691 nan 8.250 nan 0.000 0.488 285 I N -5.090 115.564 120.570 0.139 0.000 4.160 285 I HA 0.260 4.430 4.170 0.000 0.000 0.325 285 I C 1.236 177.448 176.117 0.158 0.000 1.455 285 I CA -0.672 60.736 61.300 0.180 0.000 1.142 285 I CB 0.154 38.353 38.000 0.331 0.000 1.262 285 I HN -0.029 nan 8.210 nan 0.000 0.483 286 F N 3.451 123.419 119.950 0.029 0.000 2.269 286 F HA -0.168 4.359 4.527 0.000 0.000 0.301 286 F C 2.545 178.430 175.800 0.142 0.000 1.082 286 F CA 2.280 60.334 58.000 0.091 0.000 1.360 286 F CB -0.077 38.952 39.000 0.049 0.000 1.041 286 F HN 0.385 nan 8.300 nan 0.000 0.512 287 Q N -1.226 118.492 119.800 -0.136 0.000 2.291 287 Q HA -0.245 4.095 4.340 0.000 0.000 0.206 287 Q C 1.094 176.809 176.000 -0.475 0.000 0.976 287 Q CA 1.854 57.438 55.803 -0.365 0.000 0.875 287 Q CB -1.062 27.367 28.738 -0.515 0.000 0.927 287 Q HN 0.615 nan 8.270 nan 0.000 0.450 288 Y N 2.177 122.424 120.300 -0.089 0.000 2.468 288 Y HA 0.129 4.679 4.550 0.000 0.000 0.268 288 Y C 1.107 176.950 175.900 -0.095 0.000 1.177 288 Y CA -0.096 57.947 58.100 -0.094 0.000 1.265 288 Y CB 0.490 38.926 38.460 -0.039 0.000 1.103 288 Y HN 0.162 nan 8.280 nan 0.000 0.522 289 T N -1.829 112.715 114.554 -0.017 0.000 2.824 289 T HA 0.075 4.425 4.350 0.000 0.000 0.277 289 T C 0.045 174.753 174.700 0.014 0.000 0.975 289 T CA -0.985 61.119 62.100 0.007 0.000 0.966 289 T CB 1.204 70.065 68.868 -0.012 0.000 1.054 289 T HN 0.092 nan 8.240 nan 0.000 0.533 290 N N 0.526 119.252 118.700 0.043 0.000 2.437 290 N HA 0.152 4.892 4.740 0.000 0.000 0.243 290 N C 0.312 175.951 175.510 0.214 0.000 1.041 290 N CA -0.556 52.530 53.050 0.060 0.000 0.940 290 N CB -0.135 38.352 38.487 0.001 0.000 1.133 290 N HN 0.715 nan 8.380 nan 0.000 0.506 291 F N 1.579 121.473 119.950 -0.095 0.000 2.113 291 F HA -0.128 4.399 4.527 0.000 0.000 0.297 291 F C 2.034 177.838 175.800 0.008 0.000 1.103 291 F CA 0.401 58.372 58.000 -0.049 0.000 1.248 291 F CB 0.333 39.297 39.000 -0.060 0.000 0.999 291 F HN 0.443 nan 8.300 nan 0.000 0.475 292 E N 1.028 121.351 120.200 0.205 0.000 2.049 292 E HA -0.227 4.123 4.350 0.000 0.000 0.198 292 E C 1.916 178.577 176.600 0.102 0.000 1.007 292 E CA 1.335 57.809 56.400 0.124 0.000 0.809 292 E CB -0.573 29.175 29.700 0.081 0.000 0.749 292 E HN 0.446 nan 8.360 nan 0.000 0.450 293 K N 0.600 121.049 120.400 0.082 0.000 2.147 293 K HA -0.133 4.187 4.320 0.000 0.000 0.205 293 K C 2.031 178.698 176.600 0.111 0.000 1.049 293 K CA 1.096 57.426 56.287 0.071 0.000 0.936 293 K CB -0.133 32.377 32.500 0.017 0.000 0.722 293 K HN -0.014 nan 8.250 nan 0.000 0.446 294 N N 1.663 120.435 118.700 0.120 0.000 2.080 294 N HA -0.176 4.564 4.740 0.000 0.000 0.189 294 N C 1.742 177.361 175.510 0.182 0.000 1.036 294 N CA 1.394 54.555 53.050 0.185 0.000 0.846 294 N CB -0.069 38.564 38.487 0.243 0.000 1.015 294 N HN 0.055 nan 8.380 nan 0.000 0.423 295 R N 0.063 120.632 120.500 0.114 0.000 2.083 295 R HA -0.083 4.257 4.340 0.000 0.000 0.237 295 R C 1.508 177.868 176.300 0.099 0.000 1.137 295 R CA 1.799 57.943 56.100 0.075 0.000 0.951 295 R CB -0.272 30.061 30.300 0.056 0.000 0.851 295 R HN 0.260 nan 8.270 nan 0.000 0.434 296 N N -0.302 118.465 118.700 0.112 0.000 2.104 296 N HA -0.214 4.526 4.740 0.000 0.000 0.190 296 N C 1.375 176.948 175.510 0.106 0.000 1.024 296 N CA 1.450 54.562 53.050 0.103 0.000 0.853 296 N CB -0.574 37.971 38.487 0.096 0.000 1.008 296 N HN 0.326 nan 8.380 nan 0.000 0.424 297 Y N 1.408 121.755 120.300 0.079 0.000 2.114 297 Y HA -0.060 4.490 4.550 0.000 0.000 0.284 297 Y C 2.053 178.031 175.900 0.130 0.000 1.143 297 Y CA 1.324 59.483 58.100 0.097 0.000 1.135 297 Y CB -0.435 38.079 38.460 0.090 0.000 0.980 297 Y HN -0.011 nan 8.280 nan 0.000 0.499 298 I N -0.041 120.556 120.570 0.045 0.000 2.151 298 I HA -0.383 3.787 4.170 0.000 0.000 0.243 298 I C 2.374 178.538 176.117 0.078 0.000 1.080 298 I CA 1.714 63.007 61.300 -0.011 0.000 1.339 298 I CB -0.640 37.339 38.000 -0.036 0.000 1.039 298 I HN 0.272 nan 8.210 nan 0.000 0.409 299 L N 0.583 121.887 121.223 0.135 0.000 2.131 299 L HA -0.183 4.157 4.340 0.000 0.000 0.210 299 L C 2.726 179.653 176.870 0.095 0.000 1.092 299 L CA 1.569 56.548 54.840 0.231 0.000 0.759 299 L CB -0.694 41.473 42.059 0.180 0.000 0.903 299 L HN 0.406 nan 8.230 nan 0.000 0.435 300 S N -1.403 114.276 115.700 -0.035 0.000 2.507 300 S HA -0.128 4.342 4.470 0.000 0.000 0.235 300 S C 1.670 176.215 174.600 -0.091 0.000 0.988 300 S CA 1.179 59.332 58.200 -0.079 0.000 0.944 300 S CB -0.650 62.475 63.200 -0.125 0.000 0.762 300 S HN 0.574 nan 8.310 nan 0.000 0.526 301 T N -1.850 112.659 114.554 -0.075 0.000 3.092 301 T HA 0.259 4.609 4.350 0.000 0.000 0.258 301 T C 0.278 175.001 174.700 0.038 0.000 1.031 301 T CA -0.539 61.559 62.100 -0.003 0.000 0.925 301 T CB -0.209 68.661 68.868 0.002 0.000 1.036 301 T HN 0.474 nan 8.240 nan 0.000 0.544 302 Q N 1.849 121.624 119.800 -0.042 0.000 2.304 302 Q HA 0.106 4.446 4.340 0.000 0.000 0.260 302 Q C -0.812 175.023 176.000 -0.275 0.000 0.965 302 Q CA -0.380 55.170 55.803 -0.422 0.000 0.898 302 Q CB 0.590 29.114 28.738 -0.357 0.000 1.196 302 Q HN 0.292 nan 8.270 nan 0.000 0.402 303 D N 4.204 124.414 120.400 -0.318 0.000 2.393 303 D HA 0.062 4.702 4.640 0.000 0.000 0.232 303 D C 0.414 176.582 176.300 -0.220 0.000 1.192 303 D CA 0.001 53.888 54.000 -0.189 0.000 0.882 303 D CB 0.582 41.300 40.800 -0.136 0.000 1.038 303 D HN 0.616 nan 8.370 nan 0.000 0.499 304 R N 2.613 123.009 120.500 -0.174 0.000 2.241 304 R HA -0.074 4.266 4.340 0.000 0.000 0.224 304 R C 1.618 177.822 176.300 -0.160 0.000 1.101 304 R CA 0.255 56.246 56.100 -0.181 0.000 0.995 304 R CB 0.325 30.551 30.300 -0.124 0.000 0.870 304 R HN 0.458 nan 8.270 nan 0.000 0.463 305 L N 0.395 121.546 121.223 -0.120 0.000 2.116 305 L HA -0.012 4.328 4.340 0.000 0.000 0.200 305 L C 2.130 178.946 176.870 -0.090 0.000 1.084 305 L CA 1.470 56.254 54.840 -0.093 0.000 0.766 305 L CB -0.543 41.478 42.059 -0.063 0.000 0.930 305 L HN 0.092 nan 8.230 nan 0.000 0.453 306 V N -0.977 118.899 119.914 -0.063 0.000 3.354 306 V HA 0.415 4.535 4.120 0.000 0.000 0.258 306 V C 0.892 177.020 176.094 0.058 0.000 1.159 306 V CA 0.720 63.019 62.300 -0.001 0.000 1.125 306 V CB -0.299 31.552 31.823 0.047 0.000 0.774 306 V HN 0.659 nan 8.190 nan 0.000 0.464 307 G N -0.903 107.836 108.800 -0.103 0.000 2.712 307 G HA2 0.409 4.369 3.960 0.000 0.000 0.683 307 G HA3 0.409 4.369 3.960 0.000 0.000 0.683 307 G C 0.544 175.157 174.900 -0.477 0.000 1.320 307 G CA -0.305 44.644 45.100 -0.252 0.000 0.847 307 G HN 2.430 nan 8.290 nan 0.000 0.553 308 G N -1.892 106.536 108.800 -0.620 0.000 2.782 308 G HA2 0.375 4.335 3.960 0.000 0.000 0.228 308 G HA3 0.375 4.335 3.960 0.000 0.000 0.228 308 G C -0.410 174.003 174.900 -0.812 0.000 1.372 308 G CA 0.312 44.686 45.100 -1.210 0.000 0.862 308 G HN 1.830 nan 8.290 nan 0.000 0.547 309 F N -0.087 119.601 119.950 -0.436 0.000 2.611 309 F HA 0.843 5.370 4.527 0.000 0.000 0.324 309 F C 0.814 176.555 175.800 -0.097 0.000 1.061 309 F CA 0.029 57.914 58.000 -0.191 0.000 0.954 309 F CB 2.088 41.000 39.000 -0.147 0.000 1.301 309 F HN 1.028 nan 8.300 nan 0.000 0.482 310 A N 0.906 123.794 122.820 0.113 0.000 2.344 310 A HA 0.552 4.872 4.320 0.000 0.000 0.307 310 A C 0.736 178.198 177.584 -0.203 0.000 1.151 310 A CA -0.585 51.418 52.037 -0.058 0.000 0.842 310 A CB 1.392 20.379 19.000 -0.021 0.000 1.350 310 A HN 0.891 nan 8.150 nan 0.000 0.459 311 K N -0.934 119.075 120.400 -0.651 0.000 2.103 311 K HA -0.011 4.309 4.320 0.000 0.000 0.204 311 K C -0.412 176.144 176.600 -0.074 0.000 1.052 311 K CA 0.707 56.641 56.287 -0.590 0.000 0.945 311 K CB 0.013 31.924 32.500 -0.982 0.000 0.722 311 K HN 0.564 nan 8.250 nan 0.000 0.443 312 W N 1.635 122.968 121.300 0.055 0.000 2.882 312 W HA 0.411 5.071 4.660 0.000 0.000 0.345 312 W C -2.603 173.937 176.519 0.035 0.000 1.125 312 W CA -3.168 54.255 57.345 0.130 0.000 1.167 312 W CB 0.341 29.871 29.460 0.117 0.000 1.431 312 W HN -0.179 nan 8.180 nan 0.000 0.543 313 P HA 0.131 nan 4.420 nan 0.000 0.272 313 P C 0.196 177.573 177.300 0.128 0.000 1.223 313 P CA 1.078 64.242 63.100 0.107 0.000 0.784 313 P CB 0.249 31.979 31.700 0.051 0.000 0.923 314 D N -1.619 118.831 120.400 0.083 0.000 2.723 314 D HA -0.141 4.499 4.640 0.000 0.000 0.236 314 D C 0.093 176.455 176.300 0.104 0.000 1.138 314 D CA 1.243 55.293 54.000 0.084 0.000 0.676 314 D CB -1.962 38.877 40.800 0.066 0.000 1.069 314 D HN 0.564 nan 8.370 nan 0.000 0.430 315 S N -2.146 113.624 115.700 0.116 0.000 2.599 315 S HA 0.623 5.093 4.470 0.000 0.000 0.287 315 S C -0.490 174.196 174.600 0.144 0.000 1.105 315 S CA -0.436 57.814 58.200 0.084 0.000 0.899 315 S CB 1.278 64.550 63.200 0.120 0.000 1.100 315 S HN 0.545 nan 8.310 nan 0.000 0.482 316 H N 2.466 121.563 119.070 0.046 0.000 2.683 316 H HA 0.295 4.851 4.556 0.000 0.000 0.339 316 H C -1.936 173.425 175.328 0.055 0.000 1.081 316 H CA -1.586 54.497 56.048 0.058 0.000 1.432 316 H CB 0.653 30.462 29.762 0.080 0.000 1.462 316 H HN 0.442 nan 8.280 nan 0.000 0.557 317 P HA 0.059 nan 4.420 nan 0.000 0.276 317 P C -1.059 176.414 177.300 0.287 0.000 1.244 317 P CA -0.360 62.821 63.100 0.135 0.000 0.801 317 P CB 1.458 33.152 31.700 -0.010 0.000 1.006 318 D N -1.132 119.441 120.400 0.288 0.000 2.596 318 D HA 0.458 5.098 4.640 0.000 0.000 0.262 318 D C 0.830 177.352 176.300 0.370 0.000 1.210 318 D CA -0.987 53.256 54.000 0.405 0.000 0.873 318 D CB 0.374 41.390 40.800 0.360 0.000 1.408 318 D HN 0.166 nan 8.370 nan 0.000 0.441 319 A N 0.202 123.267 122.820 0.409 0.000 1.940 319 A HA -0.114 4.206 4.320 0.000 0.000 0.219 319 A C 1.970 179.532 177.584 -0.036 0.000 1.176 319 A CA 1.496 53.766 52.037 0.388 0.000 0.631 319 A CB -0.969 18.302 19.000 0.451 0.000 0.814 319 A HN 0.632 nan 8.150 nan 0.000 0.446 320 L N -1.424 119.643 121.223 -0.261 0.000 1.994 320 L HA -0.198 4.142 4.340 0.000 0.000 0.208 320 L C 2.473 179.062 176.870 -0.468 0.000 1.071 320 L CA 2.214 56.552 54.840 -0.837 0.000 0.745 320 L CB -0.379 41.451 42.059 -0.382 0.000 0.892 320 L HN 0.542 nan 8.230 nan 0.000 0.431 321 H N -0.635 118.389 119.070 -0.076 0.000 2.462 321 H HA 0.022 4.578 4.556 -0.000 0.000 0.292 321 H C 2.169 177.457 175.328 -0.067 0.000 1.049 321 H CA 1.069 57.099 56.048 -0.031 0.000 1.334 321 H CB -0.163 29.614 29.762 0.025 0.000 1.404 321 H HN 0.519 nan 8.280 nan 0.000 0.544 322 A N 0.407 123.250 122.820 0.039 0.000 1.877 322 A HA -0.237 4.083 4.320 0.000 0.000 0.216 322 A C 2.096 179.710 177.584 0.051 0.000 1.186 322 A CA 1.644 53.696 52.037 0.025 0.000 0.620 322 A CB -0.963 17.845 19.000 -0.319 0.000 0.822 322 A HN 0.523 nan 8.150 nan 0.000 0.443 323 Y N -0.572 119.646 120.300 -0.137 0.000 2.114 323 Y HA -0.176 4.374 4.550 0.000 0.000 0.284 323 Y C 1.970 177.497 175.900 -0.623 0.000 1.143 323 Y CA 1.775 59.640 58.100 -0.392 0.000 1.135 323 Y CB -0.625 37.383 38.460 -0.753 0.000 0.980 323 Y HN 0.280 nan 8.280 nan 0.000 0.499 324 F N -0.279 119.279 119.950 -0.654 0.000 2.293 324 F HA -0.027 4.500 4.527 0.000 0.000 0.300 324 F C 2.537 177.946 175.800 -0.652 0.000 1.086 324 F CA 0.821 58.325 58.000 -0.827 0.000 1.375 324 F CB -0.650 37.881 39.000 -0.781 0.000 1.045 324 F HN 0.160 nan 8.300 nan 0.000 0.516 325 G N 0.288 108.821 108.800 -0.446 0.000 2.408 325 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 325 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 325 G C 1.686 176.127 174.900 -0.766 0.000 1.150 325 G CA 0.632 45.328 45.100 -0.674 0.000 0.776 325 G HN 0.325 nan 8.290 nan 0.000 0.542 326 I N 0.319 120.485 120.570 -0.672 0.000 2.252 326 I HA -0.166 4.004 4.170 0.000 0.000 0.245 326 I C 2.685 178.512 176.117 -0.483 0.000 1.102 326 I CA 0.547 61.555 61.300 -0.485 0.000 1.385 326 I CB -0.153 37.725 38.000 -0.204 0.000 1.064 326 I HN 0.178 nan 8.210 nan 0.000 0.414 327 C N 0.770 119.696 119.300 -0.623 0.000 2.422 327 C HA -0.086 4.374 4.460 0.000 0.000 0.279 327 C C 2.904 177.721 174.990 -0.289 0.000 1.305 327 C CA 0.944 59.642 59.018 -0.534 0.000 1.757 327 C CB -1.743 25.456 27.740 -0.902 0.000 1.962 327 C HN 0.671 nan 8.230 nan 0.000 0.499 328 G N 0.295 108.916 108.800 -0.298 0.000 2.418 328 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 328 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 328 G C 1.407 176.152 174.900 -0.257 0.000 1.158 328 G CA 0.570 45.527 45.100 -0.238 0.000 0.771 328 G HN 0.343 nan 8.290 nan 0.000 0.545 329 L N 1.264 122.298 121.223 -0.315 0.000 2.046 329 L HA -0.014 4.326 4.340 0.000 0.000 0.208 329 L C 3.085 179.794 176.870 -0.268 0.000 1.077 329 L CA 1.890 56.545 54.840 -0.309 0.000 0.747 329 L CB -1.061 40.731 42.059 -0.445 0.000 0.896 329 L HN 0.337 nan 8.230 nan 0.000 0.432 330 S N -0.780 114.759 115.700 -0.267 0.000 2.370 330 S HA -0.189 4.281 4.470 0.000 0.000 0.226 330 S C 2.055 176.564 174.600 -0.152 0.000 1.033 330 S CA 0.971 59.055 58.200 -0.194 0.000 1.011 330 S CB -0.201 62.887 63.200 -0.186 0.000 0.852 330 S HN 0.249 nan 8.310 nan 0.000 0.457 331 L N 1.189 122.291 121.223 -0.202 0.000 2.129 331 L HA 0.055 4.395 4.340 0.000 0.000 0.212 331 L C 1.994 178.819 176.870 -0.074 0.000 1.087 331 L CA 1.772 56.461 54.840 -0.250 0.000 0.757 331 L CB -0.913 40.773 42.059 -0.622 0.000 0.896 331 L HN 0.506 nan 8.230 nan 0.000 0.434 332 M N -1.346 118.169 119.600 -0.141 0.000 2.549 332 M HA 0.112 4.592 4.480 0.000 0.000 0.273 332 M C -0.085 176.213 176.300 -0.003 0.000 1.213 332 M CA -0.045 55.136 55.300 -0.198 0.000 0.976 332 M CB -0.039 32.212 32.600 -0.582 0.000 1.457 332 M HN 0.058 nan 8.290 nan 0.000 0.485 333 E N 1.891 122.084 120.200 -0.011 0.000 2.210 333 E HA -0.199 4.151 4.350 0.000 0.000 0.201 333 E C -0.057 176.527 176.600 -0.026 0.000 1.339 333 E CA 0.255 56.653 56.400 -0.003 0.000 0.699 333 E CB -0.770 28.961 29.700 0.052 0.000 1.126 333 E HN 0.432 nan 8.360 nan 0.000 0.355 334 E N 0.579 120.719 120.200 -0.099 0.000 2.452 334 E HA 0.034 4.384 4.350 0.000 0.000 0.261 334 E C -0.379 176.169 176.600 -0.087 0.000 0.987 334 E CA 0.223 56.539 56.400 -0.139 0.000 0.926 334 E CB 0.845 30.353 29.700 -0.320 0.000 0.934 334 E HN 0.161 nan 8.360 nan 0.000 0.452 335 S N 3.470 119.150 115.700 -0.034 0.000 2.506 335 S HA 0.373 4.843 4.470 0.000 0.000 0.291 335 S C 0.799 175.429 174.600 0.049 0.000 1.230 335 S CA 0.820 59.031 58.200 0.019 0.000 1.107 335 S CB -0.806 62.423 63.200 0.048 0.000 0.942 335 S HN 0.916 nan 8.310 nan 0.000 0.502 336 G N 4.209 113.040 108.800 0.051 0.000 2.168 336 G HA2 -0.143 3.817 3.960 0.000 0.000 0.197 336 G HA3 -0.143 3.817 3.960 0.000 0.000 0.197 336 G C -0.112 174.843 174.900 0.093 0.000 0.997 336 G CA -0.098 45.065 45.100 0.105 0.000 0.658 336 G HN 0.708 nan 8.290 nan 0.000 0.513 337 I N 0.852 121.425 120.570 0.005 0.000 2.533 337 I HA 0.335 4.505 4.170 0.000 0.000 0.290 337 I C 0.857 176.957 176.117 -0.029 0.000 1.056 337 I CA -1.159 60.127 61.300 -0.024 0.000 1.057 337 I CB 1.806 39.719 38.000 -0.144 0.000 1.240 337 I HN 0.079 nan 8.210 nan 0.000 0.423 338 C N 3.311 122.603 119.300 -0.013 0.000 2.727 338 C HA 0.082 4.542 4.460 0.000 0.000 0.401 338 C C 1.055 176.030 174.990 -0.026 0.000 1.294 338 C CA -0.657 58.355 59.018 -0.009 0.000 2.134 338 C CB -0.075 27.665 27.740 0.000 0.000 2.724 338 C HN 0.636 nan 8.230 nan 0.000 0.677 339 K N 1.006 121.401 120.400 -0.008 0.000 2.368 339 K HA 0.311 4.631 4.320 0.000 0.000 0.282 339 K C -0.151 176.455 176.600 0.009 0.000 1.035 339 K CA -0.260 56.022 56.287 -0.008 0.000 0.973 339 K CB 1.202 33.706 32.500 0.007 0.000 0.957 339 K HN 0.582 nan 8.250 nan 0.000 0.474 340 V N 3.750 123.666 119.914 0.003 0.000 2.509 340 V HA 0.207 4.327 4.120 0.000 0.000 0.284 340 V C 0.059 176.235 176.094 0.138 0.000 1.047 340 V CA -0.660 61.675 62.300 0.059 0.000 0.952 340 V CB 1.189 33.020 31.823 0.013 0.000 0.988 340 V HN 0.934 nan 8.190 nan 0.000 0.469 341 H N 9.426 128.559 119.070 0.104 0.000 3.086 341 H HA 0.260 4.817 4.556 0.000 0.000 0.265 341 H C -1.708 173.746 175.328 0.211 0.000 1.092 341 H CA -1.587 54.537 56.048 0.127 0.000 1.487 341 H CB 1.616 31.452 29.762 0.125 0.000 1.514 341 H HN 0.559 nan 8.280 nan 0.000 0.497 342 P HA -0.113 nan 4.420 nan 0.000 0.223 342 P C 0.769 178.351 177.300 0.471 0.000 1.144 342 P CA 1.281 64.552 63.100 0.285 0.000 0.783 342 P CB 0.357 32.078 31.700 0.036 0.000 0.771 343 A N -1.108 122.035 122.820 0.538 0.000 2.035 343 A HA 0.124 4.444 4.320 0.000 0.000 0.208 343 A C 1.963 179.838 177.584 0.485 0.000 1.206 343 A CA 0.260 52.560 52.037 0.439 0.000 0.773 343 A CB -0.921 18.241 19.000 0.270 0.000 0.878 343 A HN 0.114 nan 8.150 nan 0.000 0.469 344 L N -0.673 120.770 121.223 0.366 0.000 2.446 344 L HA 0.209 4.549 4.340 0.000 0.000 0.219 344 L C 0.659 177.768 176.870 0.398 0.000 1.116 344 L CA 1.179 56.083 54.840 0.106 0.000 0.844 344 L CB -0.671 41.123 42.059 -0.442 0.000 0.970 344 L HN 0.551 nan 8.230 nan 0.000 0.457 345 N N -0.705 118.323 118.700 0.548 0.000 2.776 345 N HA -0.170 4.570 4.740 0.000 0.000 0.249 345 N C -0.565 175.219 175.510 0.458 0.000 1.111 345 N CA 0.958 54.344 53.050 0.560 0.000 0.711 345 N CB -1.283 37.659 38.487 0.759 0.000 1.065 345 N HN 0.258 nan 8.380 nan 0.000 0.556 346 V N -3.610 116.490 119.914 0.309 0.000 3.158 346 V HA 0.867 4.987 4.120 0.000 0.000 0.311 346 V C 0.682 176.870 176.094 0.156 0.000 1.181 346 V CA -0.351 62.075 62.300 0.210 0.000 1.054 346 V CB 1.523 33.435 31.823 0.149 0.000 1.085 346 V HN 0.416 nan 8.190 nan 0.000 0.446 347 S N 0.083 115.836 115.700 0.089 0.000 2.585 347 S HA 0.172 4.642 4.470 0.000 0.000 0.273 347 S C 1.393 176.058 174.600 0.108 0.000 1.339 347 S CA 0.372 58.615 58.200 0.071 0.000 1.028 347 S CB 0.879 64.094 63.200 0.027 0.000 0.906 347 S HN 1.722 nan 8.310 nan 0.000 0.528 348 T N 0.229 114.851 114.554 0.112 0.000 2.720 348 T HA -0.253 4.097 4.350 0.000 0.000 0.268 348 T C 1.786 176.541 174.700 0.091 0.000 1.037 348 T CA 1.309 63.489 62.100 0.133 0.000 1.144 348 T CB -0.582 68.338 68.868 0.087 0.000 0.864 348 T HN 0.763 nan 8.240 nan 0.000 0.444 349 R N 1.141 121.675 120.500 0.056 0.000 2.103 349 R HA -0.129 4.211 4.340 0.000 0.000 0.242 349 R C 2.315 178.632 176.300 0.027 0.000 1.142 349 R CA 2.150 58.271 56.100 0.035 0.000 0.960 349 R CB -0.934 29.380 30.300 0.023 0.000 0.858 349 R HN 0.450 nan 8.270 nan 0.000 0.439 350 T N -0.040 114.533 114.554 0.031 0.000 2.857 350 T HA -0.102 4.248 4.350 0.000 0.000 0.266 350 T C 1.833 176.538 174.700 0.009 0.000 1.048 350 T CA 1.341 63.450 62.100 0.014 0.000 1.139 350 T CB -0.167 68.711 68.868 0.018 0.000 0.874 350 T HN 0.552 nan 8.240 nan 0.000 0.455 351 S N 1.620 117.347 115.700 0.046 0.000 2.419 351 S HA -0.104 4.366 4.470 0.000 0.000 0.233 351 S C 1.827 176.448 174.600 0.034 0.000 1.016 351 S CA 1.002 59.229 58.200 0.046 0.000 0.974 351 S CB -0.341 62.957 63.200 0.163 0.000 0.786 351 S HN 0.545 nan 8.310 nan 0.000 0.492 352 E N 1.128 121.351 120.200 0.037 0.000 2.046 352 E HA -0.020 4.330 4.350 0.000 0.000 0.190 352 E C 2.395 178.967 176.600 -0.046 0.000 0.982 352 E CA 0.571 56.977 56.400 0.010 0.000 0.800 352 E CB -0.170 29.544 29.700 0.023 0.000 0.756 352 E HN 0.437 nan 8.360 nan 0.000 0.449 353 R N 0.789 121.261 120.500 -0.047 0.000 2.139 353 R HA -0.188 4.152 4.340 0.000 0.000 0.243 353 R C 2.340 178.548 176.300 -0.154 0.000 1.145 353 R CA 0.925 56.981 56.100 -0.074 0.000 0.976 353 R CB -0.217 30.054 30.300 -0.048 0.000 0.866 353 R HN 0.151 nan 8.270 nan 0.000 0.449 354 L N 0.988 122.098 121.223 -0.190 0.000 2.093 354 L HA -0.149 4.191 4.340 0.000 0.000 0.208 354 L C 2.853 179.374 176.870 -0.582 0.000 1.085 354 L CA 2.416 57.023 54.840 -0.388 0.000 0.755 354 L CB -0.782 41.088 42.059 -0.315 0.000 0.904 354 L HN 0.118 nan 8.230 nan 0.000 0.435 355 R N -0.216 120.094 120.500 -0.317 0.000 2.083 355 R HA -0.188 4.152 4.340 0.000 0.000 0.237 355 R C 1.915 178.087 176.300 -0.213 0.000 1.137 355 R CA 2.028 57.994 56.100 -0.223 0.000 0.951 355 R CB -1.961 28.301 30.300 -0.062 0.000 0.851 355 R HN 0.588 nan 8.270 nan 0.000 0.434 356 D N 0.771 121.066 120.400 -0.176 0.000 2.104 356 D HA -0.130 4.510 4.640 0.000 0.000 0.194 356 D C 2.055 178.222 176.300 -0.223 0.000 0.994 356 D CA 1.262 55.177 54.000 -0.142 0.000 0.830 356 D CB -0.496 40.247 40.800 -0.095 0.000 0.959 356 D HN 0.348 nan 8.370 nan 0.000 0.452 357 L N 0.340 121.368 121.223 -0.326 0.000 2.013 357 L HA -0.267 4.073 4.340 0.000 0.000 0.212 357 L C 2.418 178.767 176.870 -0.868 0.000 1.073 357 L CA 1.662 56.209 54.840 -0.488 0.000 0.753 357 L CB -0.282 41.486 42.059 -0.485 0.000 0.890 357 L HN 0.238 nan 8.230 nan 0.000 0.432 358 H N -1.560 117.009 119.070 -0.835 0.000 2.353 358 H HA -0.215 4.341 4.556 -0.000 0.000 0.300 358 H C 2.469 177.561 175.328 -0.394 0.000 1.090 358 H CA 1.152 56.723 56.048 -0.795 0.000 1.327 358 H CB 0.015 29.495 29.762 -0.469 0.000 1.383 358 H HN 0.510 nan 8.280 nan 0.000 0.508 359 Q N 1.059 120.785 119.800 -0.124 0.000 2.061 359 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 359 Q C 2.401 178.389 176.000 -0.019 0.000 0.984 359 Q CA 1.829 57.605 55.803 -0.045 0.000 0.846 359 Q CB -1.034 27.681 28.738 -0.037 0.000 0.902 359 Q HN 0.447 nan 8.270 nan 0.000 0.421 360 S N -0.074 115.587 115.700 -0.065 0.000 2.377 360 S HA -0.203 4.267 4.470 0.000 0.000 0.224 360 S C 1.676 176.393 174.600 0.196 0.000 1.042 360 S CA 1.600 59.825 58.200 0.041 0.000 1.086 360 S CB -0.637 62.584 63.200 0.036 0.000 0.995 360 S HN 0.860 nan 8.310 nan 0.000 0.428 361 W N 1.736 123.061 121.300 0.042 0.000 2.321 361 W HA -0.028 4.632 4.660 0.000 0.000 0.306 361 W C 1.843 178.371 176.519 0.015 0.000 1.217 361 W CA 0.961 58.322 57.345 0.026 0.000 1.257 361 W CB -1.294 28.180 29.460 0.025 0.000 1.145 361 W HN 0.323 nan 8.180 nan 0.000 0.509 362 K N 1.940 122.475 120.400 0.225 0.000 2.081 362 K HA 0.376 4.696 4.320 0.000 0.000 0.230 362 K C 0.289 176.944 176.600 0.092 0.000 1.199 362 K CA 0.992 57.355 56.287 0.127 0.000 1.130 362 K CB -1.379 31.169 32.500 0.081 0.000 1.386 362 K HN 0.300 nan 8.250 nan 0.000 0.280 363 T N 0.000 114.608 114.554 0.090 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.139 62.100 0.065 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