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 1s64_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 0.000 176.912 176.870 0.070 0.000 1.165 18 L CA 0.000 54.867 54.840 0.045 0.000 0.813 18 L CB 0.000 42.072 42.059 0.021 0.000 0.961 19 D N 0.009 120.452 120.400 0.072 0.000 2.477 19 D HA 0.341 4.981 4.640 0.000 0.000 0.234 19 D C -1.088 175.315 176.300 0.172 0.000 1.048 19 D CA -0.408 53.658 54.000 0.111 0.000 0.959 19 D CB 2.173 43.014 40.800 0.068 0.000 1.408 19 D HN -0.006 nan 8.370 nan 0.000 0.496 20 F N 0.961 120.945 119.950 0.056 0.000 2.438 20 F HA 0.241 4.768 4.527 0.000 0.000 0.360 20 F C -0.092 175.732 175.800 0.039 0.000 1.118 20 F CA -1.076 56.986 58.000 0.103 0.000 1.164 20 F CB 0.339 39.417 39.000 0.131 0.000 1.131 20 F HN 0.143 nan 8.300 nan 0.000 0.527 21 L N 7.815 128.749 121.223 -0.483 0.000 2.803 21 L HA 0.144 4.484 4.340 0.000 0.000 0.241 21 L C 2.028 178.336 176.870 -0.937 0.000 1.404 21 L CA 0.493 54.947 54.840 -0.644 0.000 1.211 21 L CB -1.479 40.185 42.059 -0.658 0.000 1.585 21 L HN 0.686 nan 8.230 nan 0.000 0.430 22 R N 0.356 120.329 120.500 -0.878 0.000 2.159 22 R HA -0.249 4.091 4.340 0.000 0.000 0.249 22 R C 1.292 177.407 176.300 -0.308 0.000 1.136 22 R CA 2.379 58.129 56.100 -0.584 0.000 0.951 22 R CB 0.073 30.298 30.300 -0.125 0.000 0.876 22 R HN 0.473 nan 8.270 nan 0.000 0.440 23 D N -0.419 119.832 120.400 -0.249 0.000 2.117 23 D HA -0.169 4.471 4.640 0.000 0.000 0.197 23 D C 2.074 178.251 176.300 -0.205 0.000 0.987 23 D CA 1.161 55.064 54.000 -0.163 0.000 0.829 23 D CB -0.255 40.468 40.800 -0.128 0.000 0.961 23 D HN 0.224 nan 8.370 nan 0.000 0.460 24 R N -0.048 120.241 120.500 -0.352 0.000 2.096 24 R HA -0.109 4.231 4.340 0.000 0.000 0.235 24 R C 2.239 178.336 176.300 -0.338 0.000 1.127 24 R CA 1.087 56.968 56.100 -0.366 0.000 0.968 24 R CB -0.143 29.858 30.300 -0.497 0.000 0.861 24 R HN 0.312 nan 8.270 nan 0.000 0.440 25 H N -0.955 117.948 119.070 -0.280 0.000 2.423 25 H HA -0.024 4.532 4.556 0.000 0.000 0.297 25 H C 2.039 177.276 175.328 -0.152 0.000 1.075 25 H CA 1.421 57.279 56.048 -0.316 0.000 1.342 25 H CB -0.229 29.349 29.762 -0.305 0.000 1.395 25 H HN 0.057 nan 8.280 nan 0.000 0.530 26 V N 1.031 120.988 119.914 0.071 0.000 2.343 26 V HA -0.221 3.899 4.120 0.000 0.000 0.247 26 V C 2.608 178.770 176.094 0.113 0.000 1.051 26 V CA 1.584 63.980 62.300 0.160 0.000 1.036 26 V CB -0.352 31.528 31.823 0.094 0.000 0.654 26 V HN 0.285 nan 8.190 nan 0.000 0.451 27 R N -1.111 119.405 120.500 0.026 0.000 2.081 27 R HA -0.153 4.187 4.340 0.000 0.000 0.235 27 R C 2.245 178.551 176.300 0.010 0.000 1.131 27 R CA 1.879 57.981 56.100 0.004 0.000 0.960 27 R CB -0.477 29.801 30.300 -0.037 0.000 0.856 27 R HN 0.537 nan 8.270 nan 0.000 0.436 28 F N 0.612 120.467 119.950 -0.159 0.000 2.065 28 F HA -0.255 4.272 4.527 0.000 0.000 0.298 28 F C 1.720 177.438 175.800 -0.137 0.000 1.112 28 F CA 1.675 59.551 58.000 -0.208 0.000 1.212 28 F CB -0.353 38.443 39.000 -0.340 0.000 0.975 28 F HN -0.070 nan 8.300 nan 0.000 0.476 29 F N 0.368 120.453 119.950 0.224 0.000 2.216 29 F HA -0.230 4.297 4.527 0.000 0.000 0.300 29 F C 2.523 178.289 175.800 -0.058 0.000 1.085 29 F CA 1.093 59.146 58.000 0.088 0.000 1.326 29 F CB -0.543 38.533 39.000 0.126 0.000 1.027 29 F HN 0.063 nan 8.300 nan 0.000 0.497 30 Q N 0.128 120.001 119.800 0.121 0.000 2.050 30 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 30 Q C 2.220 178.180 176.000 -0.067 0.000 0.980 30 Q CA 1.383 57.196 55.803 0.017 0.000 0.840 30 Q CB -0.312 28.428 28.738 0.003 0.000 0.898 30 Q HN 0.377 nan 8.270 nan 0.000 0.424 31 R N -0.111 120.311 120.500 -0.130 0.000 2.120 31 R HA -0.107 4.233 4.340 0.000 0.000 0.234 31 R C 2.397 178.554 176.300 -0.239 0.000 1.123 31 R CA 1.295 57.276 56.100 -0.199 0.000 0.975 31 R CB -0.310 29.831 30.300 -0.266 0.000 0.866 31 R HN 0.290 nan 8.270 nan 0.000 0.446 32 C N 0.057 119.202 119.300 -0.258 0.000 2.422 32 C HA -0.027 4.433 4.460 0.000 0.000 0.279 32 C C 2.014 176.911 174.990 -0.154 0.000 1.305 32 C CA 0.333 59.220 59.018 -0.219 0.000 1.757 32 C CB -0.634 27.052 27.740 -0.090 0.000 1.962 32 C HN 0.389 nan 8.230 nan 0.000 0.499 33 L N 0.386 121.532 121.223 -0.128 0.000 2.492 33 L HA 0.045 4.385 4.340 0.000 0.000 0.223 33 L C 2.004 178.763 176.870 -0.185 0.000 1.132 33 L CA 1.332 56.076 54.840 -0.160 0.000 0.850 33 L CB -1.462 40.518 42.059 -0.132 0.000 0.966 33 L HN 0.518 nan 8.230 nan 0.000 0.454 34 Q N -1.173 118.532 119.800 -0.158 0.000 1.956 34 Q HA 0.195 4.535 4.340 0.000 0.000 0.555 34 Q C -0.256 175.661 176.000 -0.138 0.000 0.966 34 Q CA 0.308 56.025 55.803 -0.143 0.000 0.791 34 Q CB 0.388 29.055 28.738 -0.117 0.000 2.750 34 Q HN 0.059 nan 8.270 nan 0.000 0.344 35 V N 1.165 121.011 119.914 -0.113 0.000 2.656 35 V HA 0.418 4.538 4.120 0.000 0.000 0.307 35 V C -0.867 175.182 176.094 -0.074 0.000 1.051 35 V CA -0.619 61.631 62.300 -0.084 0.000 0.893 35 V CB 1.667 33.455 31.823 -0.058 0.000 0.999 35 V HN 0.309 nan 8.190 nan 0.000 0.426 36 L N 4.334 125.534 121.223 -0.039 0.000 2.333 36 L HA 0.656 4.996 4.340 0.000 0.000 0.269 36 L C -2.444 174.504 176.870 0.130 0.000 1.010 36 L CA -1.865 52.983 54.840 0.014 0.000 0.818 36 L CB 1.765 43.804 42.059 -0.033 0.000 1.306 36 L HN 0.419 nan 8.230 nan 0.000 0.430 37 P HA 0.073 nan 4.420 nan 0.000 0.274 37 P C 0.365 177.746 177.300 0.135 0.000 1.231 37 P CA -0.425 62.772 63.100 0.162 0.000 0.790 37 P CB 0.730 32.518 31.700 0.147 0.000 0.951 38 E N 2.060 122.288 120.200 0.047 0.000 2.333 38 E HA -0.253 4.097 4.350 0.000 0.000 0.200 38 E C 1.441 178.018 176.600 -0.038 0.000 1.010 38 E CA 0.620 57.034 56.400 0.023 0.000 0.841 38 E CB 0.080 29.786 29.700 0.009 0.000 0.757 38 E HN 0.354 nan 8.360 nan 0.000 0.508 39 R N -0.699 119.706 120.500 -0.158 0.000 2.357 39 R HA -0.127 4.213 4.340 0.000 0.000 0.202 39 R C 0.394 176.415 176.300 -0.465 0.000 1.047 39 R CA 0.975 56.879 56.100 -0.328 0.000 1.034 39 R CB -0.242 29.788 30.300 -0.450 0.000 0.875 39 R HN 0.256 nan 8.270 nan 0.000 0.473 40 Y N 0.742 121.057 120.300 0.025 0.000 2.636 40 Y HA 0.160 4.710 4.550 0.000 0.000 0.260 40 Y C 1.986 177.905 175.900 0.031 0.000 1.177 40 Y CA -0.077 58.043 58.100 0.033 0.000 1.209 40 Y CB 0.866 39.342 38.460 0.026 0.000 1.166 40 Y HN 0.223 nan 8.280 nan 0.000 0.531 41 S N -0.297 115.465 115.700 0.103 0.000 2.392 41 S HA -0.288 4.183 4.470 0.000 0.000 0.232 41 S C 2.093 176.731 174.600 0.064 0.000 1.041 41 S CA 1.700 59.945 58.200 0.074 0.000 1.026 41 S CB -0.899 62.325 63.200 0.039 0.000 0.845 41 S HN 0.509 nan 8.310 nan 0.000 0.465 42 S N 1.403 117.143 115.700 0.067 0.000 2.584 42 S HA 0.146 4.616 4.470 0.000 0.000 0.240 42 S C 1.477 176.115 174.600 0.063 0.000 0.975 42 S CA 0.671 58.904 58.200 0.056 0.000 0.949 42 S CB -0.757 62.483 63.200 0.066 0.000 0.761 42 S HN 0.598 nan 8.310 nan 0.000 0.536 43 L N 0.283 121.562 121.223 0.093 0.000 2.554 43 L HA 0.230 4.570 4.340 0.000 0.000 0.225 43 L C 2.535 179.432 176.870 0.044 0.000 1.104 43 L CA 0.394 55.287 54.840 0.089 0.000 0.866 43 L CB -0.347 41.791 42.059 0.132 0.000 1.047 43 L HN 0.256 nan 8.230 nan 0.000 0.468 44 E N 1.360 121.575 120.200 0.026 0.000 2.095 44 E HA -0.299 4.051 4.350 0.000 0.000 0.212 44 E C 1.955 178.518 176.600 -0.061 0.000 1.044 44 E CA 2.606 59.009 56.400 0.005 0.000 0.857 44 E CB -0.291 29.399 29.700 -0.017 0.000 0.764 44 E HN 0.431 nan 8.360 nan 0.000 0.462 45 T N -2.418 112.006 114.554 -0.217 0.000 3.163 45 T HA 0.022 4.372 4.350 0.000 0.000 0.260 45 T C 0.985 175.590 174.700 -0.158 0.000 1.156 45 T CA 0.707 62.606 62.100 -0.336 0.000 1.072 45 T CB -0.331 68.204 68.868 -0.555 0.000 0.937 45 T HN 0.159 nan 8.240 nan 0.000 0.528 46 S N -0.718 114.937 115.700 -0.074 0.000 2.977 46 S HA 0.399 4.869 4.470 0.000 0.000 0.250 46 S C 1.117 175.725 174.600 0.014 0.000 1.005 46 S CA -0.954 57.210 58.200 -0.060 0.000 1.081 46 S CB 0.140 63.307 63.200 -0.055 0.000 1.018 46 S HN 0.326 nan 8.310 nan 0.000 0.539 47 R N 0.252 120.800 120.500 0.079 0.000 2.120 47 R HA 0.058 4.398 4.340 0.000 0.000 0.234 47 R C 1.937 178.361 176.300 0.208 0.000 1.123 47 R CA 1.183 57.377 56.100 0.157 0.000 0.975 47 R CB -0.431 30.024 30.300 0.257 0.000 0.866 47 R HN 0.393 nan 8.270 nan 0.000 0.446 48 L N 0.956 122.281 121.223 0.169 0.000 2.131 48 L HA -0.152 4.188 4.340 0.000 0.000 0.210 48 L C 2.258 179.108 176.870 -0.033 0.000 1.092 48 L CA 2.249 57.155 54.840 0.110 0.000 0.759 48 L CB -0.794 41.221 42.059 -0.073 0.000 0.903 48 L HN 0.285 nan 8.230 nan 0.000 0.435 49 T N -3.790 110.687 114.554 -0.129 0.000 3.023 49 T HA -0.056 4.294 4.350 0.000 0.000 0.266 49 T C 1.920 176.381 174.700 -0.398 0.000 1.093 49 T CA 0.786 62.687 62.100 -0.331 0.000 1.129 49 T CB -0.374 68.284 68.868 -0.351 0.000 0.899 49 T HN 0.180 nan 8.240 nan 0.000 0.491 50 I N 2.189 122.696 120.570 -0.105 0.000 2.353 50 I HA 0.089 4.259 4.170 0.000 0.000 0.248 50 I C 3.072 179.189 176.117 0.000 0.000 1.119 50 I CA 0.944 62.271 61.300 0.045 0.000 1.417 50 I CB -1.686 36.367 38.000 0.089 0.000 1.078 50 I HN 0.380 nan 8.210 nan 0.000 0.421 51 A N 0.818 123.634 122.820 -0.007 0.000 1.902 51 A HA -0.264 4.056 4.320 0.000 0.000 0.217 51 A C 2.300 179.813 177.584 -0.117 0.000 1.181 51 A CA 1.419 53.444 52.037 -0.021 0.000 0.623 51 A CB -1.091 17.992 19.000 0.138 0.000 0.818 51 A HN 0.383 nan 8.150 nan 0.000 0.443 52 F N -0.021 119.737 119.950 -0.320 0.000 2.069 52 F HA -0.199 4.328 4.527 0.000 0.000 0.298 52 F C 1.991 177.459 175.800 -0.554 0.000 1.113 52 F CA 1.800 59.514 58.000 -0.476 0.000 1.214 52 F CB -0.583 38.031 39.000 -0.643 0.000 0.978 52 F HN 0.253 nan 8.300 nan 0.000 0.474 53 F N 0.278 119.858 119.950 -0.615 0.000 2.126 53 F HA -0.247 4.280 4.527 0.000 0.000 0.299 53 F C 2.600 177.882 175.800 -0.864 0.000 1.096 53 F CA 0.672 58.148 58.000 -0.874 0.000 1.255 53 F CB -0.858 37.989 39.000 -0.255 0.000 0.997 53 F HN 0.167 nan 8.300 nan 0.000 0.479 54 A N 0.493 123.111 122.820 -0.336 0.000 1.854 54 A HA -0.089 4.231 4.320 0.000 0.000 0.214 54 A C 2.140 179.394 177.584 -0.551 0.000 1.192 54 A CA 1.125 52.929 52.037 -0.389 0.000 0.611 54 A CB -0.996 17.976 19.000 -0.048 0.000 0.832 54 A HN 0.321 nan 8.150 nan 0.000 0.442 55 L N -0.815 120.156 121.223 -0.420 0.000 1.994 55 L HA -0.155 4.185 4.340 0.000 0.000 0.208 55 L C 2.886 179.486 176.870 -0.450 0.000 1.071 55 L CA 1.650 56.281 54.840 -0.348 0.000 0.745 55 L CB -0.597 41.309 42.059 -0.255 0.000 0.892 55 L HN 0.462 nan 8.230 nan 0.000 0.431 56 S N -0.137 115.144 115.700 -0.698 0.000 2.419 56 S HA -0.122 4.348 4.470 0.000 0.000 0.233 56 S C 1.913 176.262 174.600 -0.417 0.000 1.016 56 S CA 1.267 59.069 58.200 -0.664 0.000 0.974 56 S CB -0.352 62.061 63.200 -1.312 0.000 0.786 56 S HN 0.546 nan 8.310 nan 0.000 0.492 57 G N 1.055 109.459 108.800 -0.661 0.000 2.403 57 G HA2 -0.017 3.943 3.960 0.000 0.000 0.216 57 G HA3 -0.017 3.943 3.960 0.000 0.000 0.216 57 G C 1.377 176.042 174.900 -0.393 0.000 1.154 57 G CA 0.526 45.224 45.100 -0.670 0.000 0.784 57 G HN 0.503 nan 8.290 nan 0.000 0.538 58 L N 0.402 121.397 121.223 -0.380 0.000 2.056 58 L HA -0.033 4.307 4.340 0.000 0.000 0.207 58 L C 2.567 179.406 176.870 -0.053 0.000 1.078 58 L CA 1.249 56.045 54.840 -0.073 0.000 0.749 58 L CB -0.306 41.718 42.059 -0.058 0.000 0.901 58 L HN 0.166 nan 8.230 nan 0.000 0.433 59 D N 0.255 120.585 120.400 -0.116 0.000 2.104 59 D HA -0.268 4.372 4.640 0.000 0.000 0.194 59 D C 2.130 178.404 176.300 -0.044 0.000 0.994 59 D CA 1.484 55.438 54.000 -0.076 0.000 0.830 59 D CB 0.038 40.773 40.800 -0.108 0.000 0.959 59 D HN 0.037 nan 8.370 nan 0.000 0.452 60 M N -0.422 119.143 119.600 -0.057 0.000 2.279 60 M HA 0.031 4.511 4.480 0.000 0.000 0.264 60 M C 1.446 177.756 176.300 0.017 0.000 1.062 60 M CA 1.091 56.367 55.300 -0.041 0.000 1.099 60 M CB 0.003 32.549 32.600 -0.091 0.000 1.394 60 M HN 0.091 nan 8.290 nan 0.000 0.426 61 L N -1.370 119.894 121.223 0.068 0.000 2.667 61 L HA 0.149 4.489 4.340 0.000 0.000 0.232 61 L C 0.129 177.053 176.870 0.091 0.000 1.138 61 L CA -0.179 54.741 54.840 0.133 0.000 0.921 61 L CB -0.351 41.845 42.059 0.229 0.000 1.180 61 L HN 0.234 nan 8.230 nan 0.000 0.487 62 D N 0.587 121.016 120.400 0.047 0.000 2.705 62 D HA -0.199 4.442 4.640 0.000 0.000 0.240 62 D C 0.157 176.479 176.300 0.037 0.000 1.137 62 D CA 0.718 54.737 54.000 0.032 0.000 0.677 62 D CB -0.693 40.128 40.800 0.035 0.000 1.049 62 D HN 0.214 nan 8.370 nan 0.000 0.427 63 S N -0.083 115.638 115.700 0.035 0.000 3.021 63 S HA 0.190 4.660 4.470 0.000 0.000 0.252 63 S C 1.432 176.043 174.600 0.018 0.000 0.996 63 S CA -0.606 57.616 58.200 0.036 0.000 1.084 63 S CB 0.251 63.490 63.200 0.065 0.000 1.021 63 S HN 0.403 nan 8.310 nan 0.000 0.566 64 L N 2.257 123.480 121.223 -0.000 0.000 2.549 64 L HA -0.105 4.235 4.340 0.000 0.000 0.229 64 L C 2.177 179.044 176.870 -0.006 0.000 1.158 64 L CA 1.116 55.947 54.840 -0.014 0.000 0.842 64 L CB -0.225 41.819 42.059 -0.026 0.000 0.952 64 L HN 0.518 nan 8.230 nan 0.000 0.452 65 D N -0.050 120.351 120.400 0.002 0.000 2.269 65 D HA -0.136 4.504 4.640 0.000 0.000 0.208 65 D C 1.711 178.012 176.300 0.002 0.000 0.963 65 D CA 1.271 55.273 54.000 0.003 0.000 0.864 65 D CB -0.211 40.593 40.800 0.006 0.000 0.936 65 D HN 0.385 nan 8.370 nan 0.000 0.505 66 V N -0.413 119.504 119.914 0.004 0.000 3.592 66 V HA 0.113 4.233 4.120 0.000 0.000 0.272 66 V C 0.764 176.854 176.094 -0.006 0.000 1.228 66 V CA 0.099 62.401 62.300 0.002 0.000 1.173 66 V CB -1.065 30.764 31.823 0.010 0.000 0.873 66 V HN 0.205 nan 8.190 nan 0.000 0.476 67 V N -2.433 117.476 119.914 -0.009 0.000 3.040 67 V HA 0.608 4.728 4.120 0.000 0.000 0.312 67 V C -0.264 175.824 176.094 -0.009 0.000 1.115 67 V CA -0.956 61.334 62.300 -0.017 0.000 0.998 67 V CB 1.914 33.721 31.823 -0.026 0.000 1.042 67 V HN 0.220 nan 8.190 nan 0.000 0.433 68 N N 2.268 120.963 118.700 -0.009 0.000 2.663 68 N HA 0.226 4.966 4.740 0.000 0.000 0.250 68 N C 0.935 176.457 175.510 0.019 0.000 1.129 68 N CA -0.021 53.032 53.050 0.005 0.000 0.995 68 N CB 0.700 39.190 38.487 0.004 0.000 1.324 68 N HN 0.807 nan 8.380 nan 0.000 0.512 69 K N 1.071 121.483 120.400 0.020 0.000 2.173 69 K HA -0.181 4.139 4.320 0.000 0.000 0.207 69 K C 0.699 177.335 176.600 0.060 0.000 1.046 69 K CA 1.405 57.711 56.287 0.032 0.000 0.929 69 K CB 0.264 32.779 32.500 0.026 0.000 0.720 69 K HN 0.537 nan 8.250 nan 0.000 0.453 70 D N 0.953 121.390 120.400 0.061 0.000 2.123 70 D HA -0.124 4.517 4.640 0.000 0.000 0.200 70 D C 1.469 177.836 176.300 0.112 0.000 0.976 70 D CA 1.060 55.111 54.000 0.084 0.000 0.831 70 D CB -0.121 40.719 40.800 0.067 0.000 0.974 70 D HN 0.210 nan 8.370 nan 0.000 0.469 71 D N 1.147 121.603 120.400 0.093 0.000 2.097 71 D HA -0.080 4.560 4.640 0.000 0.000 0.195 71 D C 2.372 178.779 176.300 0.178 0.000 0.989 71 D CA 0.448 54.518 54.000 0.116 0.000 0.827 71 D CB -0.293 40.543 40.800 0.059 0.000 0.966 71 D HN 0.278 nan 8.370 nan 0.000 0.456 72 I N 0.908 121.562 120.570 0.140 0.000 2.286 72 I HA -0.215 3.955 4.170 0.000 0.000 0.248 72 I C 2.420 178.693 176.117 0.261 0.000 1.115 72 I CA 0.685 62.105 61.300 0.200 0.000 1.392 72 I CB -0.180 37.882 38.000 0.104 0.000 1.065 72 I HN -0.043 nan 8.210 nan 0.000 0.418 73 I N 0.452 121.133 120.570 0.186 0.000 2.286 73 I HA -0.240 3.930 4.170 0.000 0.000 0.248 73 I C 2.527 178.806 176.117 0.271 0.000 1.115 73 I CA 1.152 62.559 61.300 0.177 0.000 1.392 73 I CB -0.382 37.730 38.000 0.186 0.000 1.065 73 I HN 0.239 nan 8.210 nan 0.000 0.418 74 E N -0.025 120.357 120.200 0.303 0.000 2.072 74 E HA -0.253 4.097 4.350 0.000 0.000 0.191 74 E C 1.732 178.537 176.600 0.341 0.000 0.985 74 E CA 1.167 57.767 56.400 0.332 0.000 0.801 74 E CB -0.467 29.435 29.700 0.338 0.000 0.750 74 E HN 0.600 nan 8.360 nan 0.000 0.452 75 W N 1.913 123.344 121.300 0.219 0.000 2.335 75 W HA -0.142 4.518 4.660 0.000 0.000 0.311 75 W C 2.009 178.592 176.519 0.107 0.000 1.213 75 W CA 1.475 58.949 57.345 0.216 0.000 1.274 75 W CB -0.484 29.074 29.460 0.163 0.000 1.148 75 W HN -0.060 nan 8.180 nan 0.000 0.498 76 I N -0.622 119.940 120.570 -0.013 0.000 2.226 76 I HA -0.366 3.804 4.170 0.000 0.000 0.245 76 I C 2.087 178.097 176.117 -0.180 0.000 1.100 76 I CA 1.439 62.573 61.300 -0.278 0.000 1.374 76 I CB -0.866 37.022 38.000 -0.186 0.000 1.057 76 I HN -0.060 nan 8.210 nan 0.000 0.413 77 Y N 1.063 121.346 120.300 -0.027 0.000 2.421 77 Y HA -0.195 4.355 4.550 0.000 0.000 0.292 77 Y C 2.917 178.664 175.900 -0.255 0.000 1.136 77 Y CA 1.277 59.339 58.100 -0.064 0.000 1.255 77 Y CB -0.575 37.857 38.460 -0.046 0.000 0.991 77 Y HN 0.266 nan 8.280 nan 0.000 0.552 78 S N -0.993 114.570 115.700 -0.229 0.000 2.515 78 S HA -0.060 4.410 4.470 0.000 0.000 0.231 78 S C 1.520 175.895 174.600 -0.375 0.000 0.987 78 S CA 0.639 58.562 58.200 -0.463 0.000 0.936 78 S CB -0.623 62.103 63.200 -0.790 0.000 0.766 78 S HN 0.483 nan 8.310 nan 0.000 0.528 79 L N 0.513 121.526 121.223 -0.351 0.000 2.592 79 L HA 0.275 4.615 4.340 0.000 0.000 0.227 79 L C 1.310 177.962 176.870 -0.364 0.000 1.127 79 L CA -0.004 54.653 54.840 -0.305 0.000 0.884 79 L CB -0.195 41.683 42.059 -0.302 0.000 1.065 79 L HN 0.410 nan 8.230 nan 0.000 0.457 80 Q N 1.376 120.834 119.800 -0.569 0.000 2.304 80 Q HA 0.199 4.539 4.340 0.000 0.000 0.260 80 Q C -0.738 174.944 176.000 -0.530 0.000 0.965 80 Q CA -0.268 54.942 55.803 -0.988 0.000 0.898 80 Q CB 1.510 29.629 28.738 -1.032 0.000 1.196 80 Q HN -0.019 nan 8.270 nan 0.000 0.402 81 V N 6.877 126.516 119.914 -0.458 0.000 2.356 81 V HA 0.178 4.298 4.120 0.000 0.000 0.258 81 V C 0.185 176.134 176.094 -0.241 0.000 1.065 81 V CA -0.154 61.983 62.300 -0.272 0.000 0.935 81 V CB 0.172 31.880 31.823 -0.191 0.000 1.061 81 V HN 0.716 nan 8.190 nan 0.000 0.484 82 L N 7.909 129.009 121.223 -0.205 0.000 2.379 82 L HA 0.498 4.838 4.340 0.000 0.000 0.269 82 L C -1.861 174.937 176.870 -0.119 0.000 1.084 82 L CA -1.835 52.908 54.840 -0.162 0.000 0.802 82 L CB 1.456 43.423 42.059 -0.153 0.000 1.175 82 L HN 0.385 nan 8.230 nan 0.000 0.448 83 P HA 0.072 nan 4.420 nan 0.000 0.271 83 P C -0.502 176.755 177.300 -0.072 0.000 1.216 83 P CA -0.363 62.690 63.100 -0.079 0.000 0.776 83 P CB 0.635 32.293 31.700 -0.070 0.000 0.881 84 T N -1.821 112.696 114.554 -0.062 0.000 2.766 84 T HA 0.253 4.603 4.350 0.000 0.000 0.295 84 T C 1.744 176.414 174.700 -0.050 0.000 1.024 84 T CA 0.277 62.344 62.100 -0.054 0.000 1.018 84 T CB -0.262 68.577 68.868 -0.047 0.000 1.002 84 T HN 0.453 nan 8.240 nan 0.000 0.532 85 E N 1.122 121.295 120.200 -0.045 0.000 2.065 85 E HA -0.251 4.099 4.350 0.000 0.000 0.201 85 E C 1.514 178.091 176.600 -0.039 0.000 1.016 85 E CA 1.952 58.328 56.400 -0.041 0.000 0.818 85 E CB -1.443 28.235 29.700 -0.036 0.000 0.749 85 E HN 0.981 nan 8.360 nan 0.000 0.453 86 D N -0.601 119.776 120.400 -0.037 0.000 2.352 86 D HA -0.027 4.613 4.640 0.000 0.000 0.232 86 D C 0.310 176.588 176.300 -0.037 0.000 1.055 86 D CA 0.287 54.266 54.000 -0.035 0.000 0.891 86 D CB -0.526 40.255 40.800 -0.033 0.000 0.897 86 D HN 0.495 nan 8.370 nan 0.000 0.529 87 R N -0.009 120.466 120.500 -0.041 0.000 3.387 87 R HA -0.172 4.168 4.340 0.000 0.000 0.254 87 R C 0.437 176.712 176.300 -0.041 0.000 1.006 87 R CA 0.914 56.988 56.100 -0.043 0.000 0.677 87 R CB -2.745 27.530 30.300 -0.041 0.000 1.063 87 R HN 0.459 nan 8.270 nan 0.000 0.453 88 S N -0.200 115.476 115.700 -0.041 0.000 2.577 88 S HA 0.013 4.483 4.470 0.000 0.000 0.219 88 S C 0.861 175.435 174.600 -0.043 0.000 0.962 88 S CA 0.057 58.234 58.200 -0.040 0.000 0.921 88 S CB 0.157 63.334 63.200 -0.039 0.000 0.789 88 S HN 0.543 nan 8.310 nan 0.000 0.497 89 N N 0.946 119.619 118.700 -0.046 0.000 2.365 89 N HA 0.212 4.952 4.740 0.000 0.000 0.257 89 N C 0.757 176.238 175.510 -0.049 0.000 1.287 89 N CA -0.411 52.610 53.050 -0.049 0.000 0.882 89 N CB -0.550 37.906 38.487 -0.053 0.000 1.250 89 N HN 0.313 nan 8.380 nan 0.000 0.507 90 L N 0.339 121.535 121.223 -0.045 0.000 2.042 90 L HA -0.127 4.213 4.340 0.000 0.000 0.210 90 L C 1.036 177.883 176.870 -0.038 0.000 1.076 90 L CA 1.395 56.209 54.840 -0.043 0.000 0.749 90 L CB -0.258 41.778 42.059 -0.038 0.000 0.893 90 L HN 0.105 nan 8.230 nan 0.000 0.432 91 D N 0.155 120.535 120.400 -0.033 0.000 2.403 91 D HA -0.114 4.526 4.640 0.000 0.000 0.227 91 D C 1.435 177.717 176.300 -0.030 0.000 0.995 91 D CA 0.857 54.840 54.000 -0.028 0.000 0.928 91 D CB 0.042 40.826 40.800 -0.027 0.000 0.887 91 D HN 0.442 nan 8.370 nan 0.000 0.529 92 R N -0.641 119.837 120.500 -0.038 0.000 2.565 92 R HA 0.206 4.546 4.340 0.000 0.000 0.347 92 R C 0.099 176.369 176.300 -0.050 0.000 1.010 92 R CA -0.244 55.832 56.100 -0.040 0.000 1.126 92 R CB 0.446 30.721 30.300 -0.042 0.000 1.331 92 R HN 0.014 nan 8.270 nan 0.000 0.552 93 C N 0.695 119.962 119.300 -0.054 0.000 2.520 93 C HA 0.798 5.258 4.460 0.000 0.000 0.376 93 C C 1.412 176.370 174.990 -0.053 0.000 1.268 93 C CA 0.280 59.253 59.018 -0.075 0.000 2.414 93 C CB 1.006 28.698 27.740 -0.080 0.000 2.521 93 C HN 0.787 nan 8.230 nan 0.000 0.618 94 G N 0.525 109.273 108.800 -0.087 0.000 2.384 94 G HA2 0.274 4.234 3.960 0.000 0.000 0.150 94 G HA3 0.274 4.234 3.960 0.000 0.000 0.150 94 G C -1.656 173.193 174.900 -0.086 0.000 1.269 94 G CA -0.495 44.620 45.100 0.026 0.000 1.094 94 G HN 0.428 nan 8.290 nan 0.000 0.467 95 F N 1.330 121.236 119.950 -0.073 0.000 2.563 95 F HA 0.758 5.285 4.527 0.000 0.000 0.316 95 F C 0.843 176.599 175.800 -0.073 0.000 1.076 95 F CA -0.727 57.212 58.000 -0.103 0.000 0.921 95 F CB 2.143 41.056 39.000 -0.143 0.000 1.209 95 F HN 0.393 nan 8.300 nan 0.000 0.462 96 R N 0.201 120.731 120.500 0.050 0.000 2.532 96 R HA 0.467 4.807 4.340 0.000 0.000 0.272 96 R C 1.028 177.354 176.300 0.043 0.000 1.032 96 R CA -0.258 55.869 56.100 0.045 0.000 1.089 96 R CB 0.602 30.885 30.300 -0.029 0.000 1.098 96 R HN 0.916 nan 8.270 nan 0.000 0.526 97 G N -0.161 108.688 108.800 0.082 0.000 2.511 97 G HA2 -0.087 3.873 3.960 0.000 0.000 0.217 97 G HA3 -0.087 3.873 3.960 0.000 0.000 0.217 97 G C 0.263 175.206 174.900 0.072 0.000 1.133 97 G CA 0.852 45.964 45.100 0.020 0.000 0.792 97 G HN 0.632 nan 8.290 nan 0.000 0.539 98 S N -1.912 113.884 115.700 0.159 0.000 2.671 98 S HA 0.337 4.807 4.470 0.000 0.000 0.270 98 S C 0.243 174.958 174.600 0.191 0.000 1.166 98 S CA 0.456 58.779 58.200 0.205 0.000 0.868 98 S CB 0.702 64.081 63.200 0.299 0.000 1.190 98 S HN 0.520 nan 8.310 nan 0.000 0.494 99 S N 0.300 116.117 115.700 0.195 0.000 2.618 99 S HA 0.150 4.620 4.470 0.000 0.000 0.242 99 S C 1.210 175.854 174.600 0.074 0.000 0.972 99 S CA 0.107 58.357 58.200 0.083 0.000 1.004 99 S CB -1.377 61.903 63.200 0.135 0.000 0.778 99 S HN 1.032 nan 8.310 nan 0.000 0.459 100 Y N 0.428 120.754 120.300 0.043 0.000 2.465 100 Y HA 0.113 4.663 4.550 0.000 0.000 0.289 100 Y C 1.363 177.276 175.900 0.022 0.000 1.150 100 Y CA 0.198 58.322 58.100 0.039 0.000 1.293 100 Y CB -0.732 37.749 38.460 0.036 0.000 0.977 100 Y HN 0.326 nan 8.280 nan 0.000 0.556 101 L N 0.405 121.306 121.223 -0.536 0.000 2.492 101 L HA 0.181 4.521 4.340 0.000 0.000 0.223 101 L C 1.842 178.632 176.870 -0.133 0.000 1.132 101 L CA 0.905 55.499 54.840 -0.410 0.000 0.850 101 L CB -0.568 41.114 42.059 -0.627 0.000 0.966 101 L HN 0.643 nan 8.230 nan 0.000 0.454 102 G N 0.795 109.553 108.800 -0.070 0.000 2.132 102 G HA2 -0.266 3.694 3.960 0.000 0.000 0.234 102 G HA3 -0.266 3.694 3.960 0.000 0.000 0.234 102 G C 0.248 175.161 174.900 0.021 0.000 0.989 102 G CA -0.293 44.815 45.100 0.013 0.000 0.676 102 G HN 0.266 nan 8.290 nan 0.000 0.522 103 I N 2.870 123.424 120.570 -0.026 0.000 2.556 103 I HA 0.190 4.360 4.170 0.000 0.000 0.284 103 I C -0.804 175.326 176.117 0.021 0.000 1.114 103 I CA -1.592 59.703 61.300 -0.008 0.000 1.418 103 I CB 0.641 38.594 38.000 -0.077 0.000 1.394 103 I HN 0.026 nan 8.210 nan 0.000 0.552 104 P HA -0.103 nan 4.420 nan 0.000 0.261 104 P C -0.392 176.966 177.300 0.097 0.000 1.183 104 P CA -0.066 63.081 63.100 0.079 0.000 0.761 104 P CB 0.265 32.001 31.700 0.059 0.000 0.785 105 F N 3.820 123.776 119.950 0.010 0.000 2.548 105 F HA -0.056 4.471 4.527 0.000 0.000 0.403 105 F C 0.516 176.319 175.800 0.004 0.000 1.004 105 F CA 0.976 58.985 58.000 0.016 0.000 1.177 105 F CB -0.092 38.933 39.000 0.041 0.000 0.974 105 F HN 0.397 nan 8.300 nan 0.000 0.541 106 N N 7.154 125.540 118.700 -0.523 0.000 2.664 106 N HA 0.285 5.025 4.740 0.000 0.000 0.268 106 N C -2.798 172.430 175.510 -0.470 0.000 1.222 106 N CA -1.469 51.370 53.050 -0.352 0.000 0.805 106 N CB 1.368 39.748 38.487 -0.178 0.000 1.399 106 N HN 0.153 nan 8.380 nan 0.000 0.547 107 P HA 0.077 nan 4.420 nan 0.000 0.237 107 P C -0.749 176.445 177.300 -0.176 0.000 1.701 107 P CA 0.217 63.153 63.100 -0.273 0.000 0.955 107 P CB -0.472 31.164 31.700 -0.107 0.000 1.937 108 S N -1.268 114.320 115.700 -0.188 0.000 3.631 108 S HA -0.214 4.256 4.470 0.000 0.000 0.366 108 S C 1.276 175.761 174.600 -0.192 0.000 0.993 108 S CA 1.578 59.665 58.200 -0.187 0.000 1.167 108 S CB -1.660 61.422 63.200 -0.196 0.000 0.909 108 S HN 0.747 nan 8.310 nan 0.000 0.478 109 K N 0.139 120.449 120.400 -0.150 0.000 2.312 109 K HA 0.520 4.840 4.320 0.000 0.000 0.230 109 K C 0.814 177.357 176.600 -0.095 0.000 1.048 109 K CA 1.107 57.325 56.287 -0.114 0.000 0.938 109 K CB -1.300 31.153 32.500 -0.078 0.000 1.139 109 K HN 0.914 nan 8.250 nan 0.000 0.461 110 N N 1.099 119.752 118.700 -0.079 0.000 2.294 110 N HA 0.506 5.246 4.740 0.000 0.000 0.248 110 N C -0.590 174.874 175.510 -0.078 0.000 1.300 110 N CA -0.400 52.611 53.050 -0.066 0.000 0.925 110 N CB -1.077 37.380 38.487 -0.049 0.000 1.188 110 N HN 0.711 nan 8.380 nan 0.000 0.512 111 P HA 0.519 nan 4.420 nan 0.000 0.291 111 P C 0.596 177.850 177.300 -0.077 0.000 1.287 111 P CA 0.946 64.004 63.100 -0.070 0.000 0.767 111 P CB -0.259 31.407 31.700 -0.057 0.000 1.290 112 G N -1.509 107.246 108.800 -0.075 0.000 2.322 112 G HA2 0.562 4.522 3.960 0.000 0.000 0.309 112 G HA3 0.562 4.522 3.960 0.000 0.000 0.309 112 G C 0.276 175.143 174.900 -0.056 0.000 1.121 112 G CA 0.907 45.961 45.100 -0.078 0.000 0.886 112 G HN 0.807 nan 8.290 nan 0.000 0.447 113 T N 1.025 115.549 114.554 -0.049 0.000 2.775 113 T HA 0.604 4.954 4.350 0.000 0.000 0.287 113 T C 0.883 175.581 174.700 -0.003 0.000 0.909 113 T CA 0.227 62.312 62.100 -0.024 0.000 1.081 113 T CB 0.007 68.867 68.868 -0.013 0.000 0.891 113 T HN 1.207 nan 8.240 nan 0.000 0.544 114 A N 3.814 126.629 122.820 -0.009 0.000 2.584 114 A HA 0.449 4.769 4.320 0.000 0.000 0.239 114 A C 0.281 177.893 177.584 0.047 0.000 1.043 114 A CA 0.217 52.254 52.037 -0.000 0.000 0.756 114 A CB -0.137 18.847 19.000 -0.026 0.000 0.963 114 A HN 0.984 nan 8.150 nan 0.000 0.511 115 H N 3.158 122.190 119.070 -0.063 0.000 3.042 115 H HA 0.319 4.875 4.556 0.000 0.000 0.345 115 H C -2.421 172.855 175.328 -0.086 0.000 1.052 115 H CA -1.425 54.593 56.048 -0.051 0.000 1.311 115 H CB 1.943 31.682 29.762 -0.039 0.000 1.810 115 H HN 0.361 nan 8.280 nan 0.000 0.505 116 P HA -0.128 nan 4.420 nan 0.000 0.217 116 P C -0.004 177.058 177.300 -0.396 0.000 1.148 116 P CA 1.528 64.478 63.100 -0.251 0.000 0.834 116 P CB 0.094 31.589 31.700 -0.342 0.000 0.783 117 Y N -2.676 117.850 120.300 0.376 0.000 2.707 117 Y HA 0.259 4.809 4.550 0.000 0.000 0.249 117 Y C 0.164 176.050 175.900 -0.022 0.000 1.166 117 Y CA -0.997 57.193 58.100 0.151 0.000 1.184 117 Y CB 0.010 38.560 38.460 0.151 0.000 1.240 117 Y HN -0.155 nan 8.280 nan 0.000 0.547 118 D N 1.519 121.920 120.400 0.002 0.000 2.313 118 D HA 0.456 5.096 4.640 0.000 0.000 0.239 118 D C -0.183 176.072 176.300 -0.075 0.000 1.142 118 D CA 0.134 54.035 54.000 -0.165 0.000 0.847 118 D CB 0.735 41.369 40.800 -0.278 0.000 1.082 118 D HN 0.154 nan 8.370 nan 0.000 0.480 119 S N 1.640 117.307 115.700 -0.056 0.000 2.615 119 S HA 0.779 5.249 4.470 0.000 0.000 0.269 119 S C 0.179 174.772 174.600 -0.013 0.000 1.161 119 S CA -0.834 57.345 58.200 -0.035 0.000 0.817 119 S CB 0.905 64.099 63.200 -0.010 0.000 1.131 119 S HN 0.461 nan 8.310 nan 0.000 0.467 120 G N -0.090 108.703 108.800 -0.011 0.000 2.580 120 G HA2 0.503 4.463 3.960 0.000 0.000 0.278 120 G HA3 0.503 4.463 3.960 0.000 0.000 0.278 120 G C -0.852 174.092 174.900 0.073 0.000 1.212 120 G CA -0.304 44.815 45.100 0.033 0.000 0.939 120 G HN 0.865 nan 8.290 nan 0.000 0.513 121 H N 0.637 119.705 119.070 -0.004 0.000 2.744 121 H HA 0.228 4.784 4.556 0.000 0.000 0.339 121 H C 1.059 176.348 175.328 -0.065 0.000 1.004 121 H CA -0.702 55.318 56.048 -0.046 0.000 1.257 121 H CB 1.773 31.525 29.762 -0.017 0.000 1.552 121 H HN 0.387 nan 8.280 nan 0.000 0.522 122 I N 3.995 124.419 120.570 -0.244 0.000 2.185 122 I HA -0.351 3.819 4.170 0.000 0.000 0.246 122 I C 1.954 178.109 176.117 0.064 0.000 1.088 122 I CA 1.971 63.188 61.300 -0.139 0.000 1.347 122 I CB -0.073 37.741 38.000 -0.309 0.000 1.041 122 I HN 0.713 nan 8.210 nan 0.000 0.415 123 A N -0.152 122.825 122.820 0.262 0.000 2.066 123 A HA -0.153 4.168 4.320 0.000 0.000 0.218 123 A C 2.113 179.777 177.584 0.134 0.000 1.157 123 A CA 1.195 53.423 52.037 0.318 0.000 0.670 123 A CB -0.291 18.963 19.000 0.424 0.000 0.804 123 A HN 0.433 nan 8.150 nan 0.000 0.453 124 M N -0.865 118.819 119.600 0.140 0.000 2.287 124 M HA -0.012 4.468 4.480 0.000 0.000 0.266 124 M C 2.046 178.293 176.300 -0.088 0.000 1.079 124 M CA 1.580 56.866 55.300 -0.024 0.000 1.146 124 M CB -1.951 30.667 32.600 0.030 0.000 1.374 124 M HN 0.330 nan 8.290 nan 0.000 0.435 125 T N 0.477 115.044 114.554 0.023 0.000 2.746 125 T HA -0.175 4.175 4.350 0.000 0.000 0.267 125 T C 1.695 176.287 174.700 -0.181 0.000 1.039 125 T CA 1.488 63.576 62.100 -0.021 0.000 1.142 125 T CB -0.458 68.465 68.868 0.093 0.000 0.866 125 T HN 0.346 nan 8.240 nan 0.000 0.444 126 Y N 2.958 123.125 120.300 -0.221 0.000 2.089 126 Y HA -0.192 4.358 4.550 0.000 0.000 0.282 126 Y C 2.723 178.399 175.900 -0.373 0.000 1.139 126 Y CA 1.893 59.829 58.100 -0.273 0.000 1.123 126 Y CB -1.266 37.055 38.460 -0.230 0.000 0.980 126 Y HN 0.299 nan 8.280 nan 0.000 0.493 127 T N -2.004 112.007 114.554 -0.904 0.000 2.881 127 T HA -0.037 4.313 4.350 0.000 0.000 0.270 127 T C 2.202 176.524 174.700 -0.630 0.000 1.068 127 T CA 1.095 62.552 62.100 -1.071 0.000 1.131 127 T CB -1.324 67.015 68.868 -0.883 0.000 0.871 127 T HN 0.432 nan 8.240 nan 0.000 0.479 128 G N 1.910 110.346 108.800 -0.607 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 1.496 175.950 174.900 -0.743 0.000 1.202 128 G CA 0.693 45.338 45.100 -0.759 0.000 0.788 128 G HN 0.504 nan 8.290 nan 0.000 0.539 129 L N 0.604 121.395 121.223 -0.721 0.000 2.042 129 L HA -0.118 4.222 4.340 0.000 0.000 0.210 129 L C 3.107 179.818 176.870 -0.266 0.000 1.076 129 L CA 1.353 55.937 54.840 -0.426 0.000 0.749 129 L CB -0.492 41.420 42.059 -0.245 0.000 0.893 129 L HN 0.342 nan 8.230 nan 0.000 0.432 130 S N -0.950 114.575 115.700 -0.292 0.000 2.370 130 S HA -0.226 4.244 4.470 0.000 0.000 0.226 130 S C 2.162 176.702 174.600 -0.100 0.000 1.033 130 S CA 1.624 59.715 58.200 -0.181 0.000 1.011 130 S CB -0.302 62.676 63.200 -0.370 0.000 0.852 130 S HN 0.508 nan 8.310 nan 0.000 0.457 131 C N 0.982 120.195 119.300 -0.146 0.000 2.446 131 C HA 0.091 4.551 4.460 0.000 0.000 0.277 131 C C 2.513 177.436 174.990 -0.112 0.000 1.275 131 C CA 0.492 59.450 59.018 -0.099 0.000 1.727 131 C CB -1.536 26.142 27.740 -0.104 0.000 2.010 131 C HN 0.583 nan 8.230 nan 0.000 0.486 132 L N 0.420 121.540 121.223 -0.170 0.000 2.042 132 L HA -0.187 4.153 4.340 0.000 0.000 0.210 132 L C 2.383 179.221 176.870 -0.053 0.000 1.076 132 L CA 1.653 56.413 54.840 -0.132 0.000 0.749 132 L CB -0.550 41.387 42.059 -0.202 0.000 0.893 132 L HN 0.365 nan 8.230 nan 0.000 0.432 133 I N -0.256 120.282 120.570 -0.052 0.000 2.226 133 I HA -0.312 3.858 4.170 0.000 0.000 0.245 133 I C 2.423 178.521 176.117 -0.033 0.000 1.100 133 I CA 1.445 62.728 61.300 -0.028 0.000 1.374 133 I CB -0.241 37.738 38.000 -0.036 0.000 1.057 133 I HN 0.183 nan 8.210 nan 0.000 0.413 134 I N 0.571 121.114 120.570 -0.045 0.000 2.264 134 I HA -0.289 3.881 4.170 0.000 0.000 0.248 134 I C 2.209 178.300 176.117 -0.043 0.000 1.111 134 I CA 1.498 62.766 61.300 -0.053 0.000 1.382 134 I CB -0.259 37.688 38.000 -0.088 0.000 1.060 134 I HN 0.228 nan 8.210 nan 0.000 0.418 135 L N 0.177 121.380 121.223 -0.034 0.000 2.552 135 L HA 0.080 4.420 4.340 0.000 0.000 0.227 135 L C 1.685 178.560 176.870 0.008 0.000 1.146 135 L CA 0.774 55.606 54.840 -0.013 0.000 0.858 135 L CB -0.336 41.721 42.059 -0.002 0.000 0.969 135 L HN 0.544 nan 8.230 nan 0.000 0.451 136 G N -0.127 108.678 108.800 0.008 0.000 2.195 136 G HA2 -0.306 3.654 3.960 0.000 0.000 0.224 136 G HA3 -0.306 3.654 3.960 0.000 0.000 0.224 136 G C 0.141 175.071 174.900 0.050 0.000 0.990 136 G CA 0.162 45.275 45.100 0.022 0.000 0.639 136 G HN 0.437 nan 8.290 nan 0.000 0.514 137 D N 0.767 121.208 120.400 0.068 0.000 2.378 137 D HA 0.396 5.036 4.640 0.000 0.000 0.238 137 D C 1.339 177.719 176.300 0.134 0.000 1.180 137 D CA 0.647 54.721 54.000 0.122 0.000 0.895 137 D CB 0.502 41.400 40.800 0.162 0.000 1.192 137 D HN 0.297 nan 8.370 nan 0.000 0.438 138 D N 1.498 122.004 120.400 0.178 0.000 2.363 138 D HA 0.063 4.703 4.640 0.000 0.000 0.214 138 D C 0.597 177.096 176.300 0.331 0.000 1.093 138 D CA -0.271 53.866 54.000 0.228 0.000 0.837 138 D CB -0.035 40.892 40.800 0.213 0.000 0.948 138 D HN 0.323 nan 8.370 nan 0.000 0.507 139 L N 0.326 121.728 121.223 0.299 0.000 4.291 139 L HA -0.279 4.061 4.340 0.000 0.000 0.413 139 L C 1.702 178.683 176.870 0.185 0.000 1.162 139 L CA 0.985 56.009 54.840 0.306 0.000 0.961 139 L CB -2.967 39.305 42.059 0.356 0.000 2.095 139 L HN 0.325 nan 8.230 nan 0.000 0.838 140 S N -1.487 114.293 115.700 0.134 0.000 2.423 140 S HA -0.084 4.386 4.470 0.000 0.000 0.231 140 S C 1.701 176.273 174.600 -0.048 0.000 1.014 140 S CA 1.104 59.306 58.200 0.004 0.000 0.965 140 S CB -0.168 63.033 63.200 0.002 0.000 0.785 140 S HN 0.639 nan 8.310 nan 0.000 0.495 141 R N 0.748 121.210 120.500 -0.064 0.000 2.310 141 R HA 0.293 4.633 4.340 0.000 0.000 0.202 141 R C -0.468 175.835 176.300 0.005 0.000 0.933 141 R CA -0.032 55.930 56.100 -0.230 0.000 1.054 141 R CB 0.063 29.857 30.300 -0.845 0.000 0.985 141 R HN 0.253 nan 8.270 nan 0.000 0.489 142 V N 2.203 122.227 119.914 0.183 0.000 2.455 142 V HA -0.011 4.109 4.120 0.000 0.000 0.273 142 V C 0.224 176.337 176.094 0.032 0.000 1.045 142 V CA -0.506 61.919 62.300 0.209 0.000 0.976 142 V CB 1.203 33.173 31.823 0.244 0.000 0.993 142 V HN 0.108 nan 8.190 nan 0.000 0.475 143 D N 5.110 125.506 120.400 -0.006 0.000 2.498 143 D HA 0.078 4.718 4.640 0.000 0.000 0.229 143 D C 1.263 177.535 176.300 -0.046 0.000 1.188 143 D CA -0.000 53.967 54.000 -0.055 0.000 1.028 143 D CB 0.487 41.242 40.800 -0.075 0.000 1.087 143 D HN 0.526 nan 8.370 nan 0.000 0.510 144 K N 1.621 121.978 120.400 -0.071 0.000 2.059 144 K HA -0.185 4.135 4.320 0.000 0.000 0.212 144 K C 1.514 178.075 176.600 -0.065 0.000 1.050 144 K CA 0.990 57.231 56.287 -0.076 0.000 0.927 144 K CB 0.241 32.647 32.500 -0.156 0.000 0.714 144 K HN 0.335 nan 8.250 nan 0.000 0.447 145 E N 0.427 120.583 120.200 -0.073 0.000 2.153 145 E HA -0.138 4.212 4.350 0.000 0.000 0.194 145 E C 2.022 178.595 176.600 -0.045 0.000 0.988 145 E CA 1.099 57.465 56.400 -0.058 0.000 0.811 145 E CB -0.152 29.512 29.700 -0.060 0.000 0.746 145 E HN 0.347 nan 8.360 nan 0.000 0.466 146 A N 0.675 123.466 122.820 -0.049 0.000 1.873 146 A HA -0.164 4.156 4.320 0.000 0.000 0.215 146 A C 2.633 180.197 177.584 -0.034 0.000 1.186 146 A CA 1.306 53.315 52.037 -0.047 0.000 0.616 146 A CB -0.890 18.072 19.000 -0.063 0.000 0.823 146 A HN 0.339 nan 8.150 nan 0.000 0.442 147 C N -0.591 118.697 119.300 -0.021 0.000 2.413 147 C HA -0.081 4.379 4.460 0.000 0.000 0.276 147 C C 2.649 177.636 174.990 -0.005 0.000 1.248 147 C CA 1.076 60.097 59.018 0.005 0.000 1.742 147 C CB -1.541 26.227 27.740 0.047 0.000 2.017 147 C HN 0.620 nan 8.230 nan 0.000 0.481 148 L N 0.965 122.177 121.223 -0.018 0.000 2.083 148 L HA -0.139 4.201 4.340 0.000 0.000 0.209 148 L C 2.868 179.739 176.870 0.000 0.000 1.083 148 L CA 1.517 56.347 54.840 -0.017 0.000 0.752 148 L CB -0.773 41.269 42.059 -0.028 0.000 0.899 148 L HN 0.342 nan 8.230 nan 0.000 0.433 149 A N 0.401 123.216 122.820 -0.009 0.000 1.902 149 A HA -0.104 4.216 4.320 0.000 0.000 0.217 149 A C 2.421 180.005 177.584 0.000 0.000 1.181 149 A CA 1.664 53.698 52.037 -0.006 0.000 0.623 149 A CB -1.206 17.783 19.000 -0.019 0.000 0.818 149 A HN 0.426 nan 8.150 nan 0.000 0.443 150 G N -0.348 108.449 108.800 -0.005 0.000 2.418 150 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 150 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 150 G C 1.589 176.502 174.900 0.021 0.000 1.158 150 G CA 0.942 46.040 45.100 -0.003 0.000 0.771 150 G HN 0.404 nan 8.290 nan 0.000 0.545 151 L N -0.142 121.101 121.223 0.034 0.000 1.989 151 L HA -0.099 4.241 4.340 0.000 0.000 0.211 151 L C 3.256 180.232 176.870 0.176 0.000 1.071 151 L CA 1.385 56.276 54.840 0.086 0.000 0.749 151 L CB -0.296 41.788 42.059 0.041 0.000 0.890 151 L HN 0.216 nan 8.230 nan 0.000 0.431 152 R N -0.530 120.039 120.500 0.114 0.000 2.103 152 R HA -0.221 4.119 4.340 0.000 0.000 0.242 152 R C 2.178 178.497 176.300 0.032 0.000 1.142 152 R CA 1.524 57.677 56.100 0.088 0.000 0.960 152 R CB -0.530 29.797 30.300 0.044 0.000 0.858 152 R HN 0.448 nan 8.270 nan 0.000 0.439 153 A N 0.807 123.640 122.820 0.021 0.000 2.070 153 A HA -0.095 4.225 4.320 0.000 0.000 0.220 153 A C 2.017 179.591 177.584 -0.016 0.000 1.159 153 A CA 1.066 53.099 52.037 -0.008 0.000 0.656 153 A CB -0.332 18.662 19.000 -0.009 0.000 0.800 153 A HN 0.209 nan 8.150 nan 0.000 0.453 154 L N -1.022 120.219 121.223 0.030 0.000 2.418 154 L HA 0.029 4.370 4.340 0.000 0.000 0.218 154 L C 1.415 178.230 176.870 -0.093 0.000 1.125 154 L CA 0.049 54.914 54.840 0.041 0.000 0.835 154 L CB -0.213 41.944 42.059 0.163 0.000 0.953 154 L HN 0.511 nan 8.230 nan 0.000 0.454 155 Q N 1.395 120.999 119.800 -0.326 0.000 2.304 155 Q HA 0.316 4.656 4.340 0.000 0.000 0.260 155 Q C -0.550 175.204 176.000 -0.409 0.000 0.965 155 Q CA -0.139 55.182 55.803 -0.802 0.000 0.898 155 Q CB 0.941 29.078 28.738 -1.002 0.000 1.196 155 Q HN 0.237 nan 8.270 nan 0.000 0.402 156 L N 2.544 123.539 121.223 -0.381 0.000 2.448 156 L HA 0.292 4.632 4.340 0.000 0.000 0.258 156 L C 1.832 178.600 176.870 -0.171 0.000 1.104 156 L CA 0.108 54.823 54.840 -0.207 0.000 0.800 156 L CB 0.424 42.393 42.059 -0.151 0.000 1.241 156 L HN 0.912 nan 8.230 nan 0.000 0.472 157 E N 0.773 120.916 120.200 -0.096 0.000 2.118 157 E HA -0.260 4.090 4.350 0.000 0.000 0.195 157 E C 1.279 177.855 176.600 -0.041 0.000 0.992 157 E CA 1.676 58.039 56.400 -0.060 0.000 0.804 157 E CB -0.850 28.831 29.700 -0.031 0.000 0.741 157 E HN 0.877 nan 8.360 nan 0.000 0.458 158 D N -1.934 118.452 120.400 -0.024 0.000 2.363 158 D HA 0.229 4.869 4.640 0.000 0.000 0.226 158 D C 1.497 177.832 176.300 0.058 0.000 1.020 158 D CA 1.165 55.197 54.000 0.053 0.000 0.892 158 D CB -0.057 40.825 40.800 0.138 0.000 0.900 158 D HN 0.875 nan 8.370 nan 0.000 0.531 159 G N -0.163 108.584 108.800 -0.089 0.000 2.234 159 G HA2 -0.296 3.664 3.960 0.000 0.000 0.235 159 G HA3 -0.296 3.664 3.960 0.000 0.000 0.235 159 G C 0.542 175.260 174.900 -0.304 0.000 0.997 159 G CA 0.462 45.489 45.100 -0.121 0.000 0.623 159 G HN 0.841 nan 8.290 nan 0.000 0.514 160 S N -0.199 115.172 115.700 -0.549 0.000 2.661 160 S HA 0.812 5.282 4.470 0.000 0.000 0.265 160 S C -0.142 174.230 174.600 -0.381 0.000 1.225 160 S CA -0.321 57.484 58.200 -0.659 0.000 0.986 160 S CB 1.266 63.724 63.200 -1.237 0.000 1.008 160 S HN 0.551 nan 8.310 nan 0.000 0.565 161 F N -1.273 118.597 119.950 -0.135 0.000 2.593 161 F HA 0.605 5.132 4.527 0.000 0.000 0.320 161 F C 0.392 176.257 175.800 0.108 0.000 1.060 161 F CA -0.988 57.009 58.000 -0.004 0.000 0.940 161 F CB 1.508 40.531 39.000 0.038 0.000 1.268 161 F HN 0.670 nan 8.300 nan 0.000 0.475 162 C N 0.417 119.835 119.300 0.196 0.000 2.345 162 C HA 0.706 5.166 4.460 0.000 0.000 0.370 162 C C 1.438 176.252 174.990 -0.294 0.000 1.209 162 C CA -0.043 59.013 59.018 0.063 0.000 2.133 162 C CB 1.385 29.122 27.740 -0.004 0.000 2.293 162 C HN 0.969 nan 8.230 nan 0.000 0.544 163 A N 0.325 122.752 122.820 -0.655 0.000 1.997 163 A HA 0.392 4.712 4.320 0.000 0.000 0.212 163 A C 0.559 177.747 177.584 -0.661 0.000 1.178 163 A CA 1.103 52.469 52.037 -1.118 0.000 0.698 163 A CB -0.150 17.907 19.000 -1.572 0.000 0.842 163 A HN 1.266 nan 8.150 nan 0.000 0.458 164 V N -4.800 114.906 119.914 -0.347 0.000 2.925 164 V HA 0.508 4.628 4.120 0.000 0.000 0.311 164 V C -2.348 173.699 176.094 -0.078 0.000 1.104 164 V CA -1.618 60.582 62.300 -0.167 0.000 0.954 164 V CB 1.847 33.629 31.823 -0.069 0.000 1.022 164 V HN 0.062 nan 8.190 nan 0.000 0.427 165 P HA -0.118 nan 4.420 nan 0.000 0.219 165 P C 0.878 178.176 177.300 -0.004 0.000 1.146 165 P CA 1.408 64.494 63.100 -0.023 0.000 0.808 165 P CB 0.412 32.100 31.700 -0.021 0.000 0.779 166 E N -0.235 119.975 120.200 0.018 0.000 2.418 166 E HA 0.249 4.599 4.350 0.000 0.000 0.197 166 E C 1.106 177.730 176.600 0.039 0.000 1.026 166 E CA 0.786 57.213 56.400 0.045 0.000 0.862 166 E CB -0.602 29.155 29.700 0.094 0.000 0.799 166 E HN 0.362 nan 8.360 nan 0.000 0.518 167 G N -0.388 108.423 108.800 0.020 0.000 2.640 167 G HA2 0.213 4.173 3.960 0.000 0.000 0.686 167 G HA3 0.213 4.173 3.960 0.000 0.000 0.686 167 G C -0.248 174.673 174.900 0.035 0.000 1.229 167 G CA -0.476 44.638 45.100 0.024 0.000 0.796 167 G HN 0.596 nan 8.290 nan 0.000 0.654 168 S N -0.497 115.232 115.700 0.047 0.000 2.671 168 S HA 0.753 5.223 4.470 0.000 0.000 0.270 168 S C -0.432 174.242 174.600 0.123 0.000 1.166 168 S CA 0.107 58.357 58.200 0.085 0.000 0.868 168 S CB 1.359 64.600 63.200 0.068 0.000 1.190 168 S HN 2.044 nan 8.310 nan 0.000 0.494 169 E N 1.444 121.754 120.200 0.183 0.000 2.392 169 E HA 0.316 4.666 4.350 0.000 0.000 0.259 169 E C -0.866 175.888 176.600 0.258 0.000 1.108 169 E CA -0.435 56.072 56.400 0.177 0.000 0.916 169 E CB 0.104 29.897 29.700 0.156 0.000 0.989 169 E HN 0.744 nan 8.360 nan 0.000 0.432 170 N N 0.774 119.576 118.700 0.170 0.000 2.295 170 N HA 0.375 5.115 4.740 0.000 0.000 0.293 170 N C -1.400 174.150 175.510 0.066 0.000 1.040 170 N CA -0.541 52.616 53.050 0.179 0.000 0.840 170 N CB 2.055 40.593 38.487 0.085 0.000 1.468 170 N HN 0.616 nan 8.380 nan 0.000 0.478 171 D N -0.018 120.381 120.400 -0.002 0.000 2.865 171 D HA 0.134 4.774 4.640 0.000 0.000 0.343 171 D C 0.645 176.947 176.300 0.004 0.000 1.372 171 D CA -0.662 53.339 54.000 0.002 0.000 0.862 171 D CB 0.461 41.223 40.800 -0.064 0.000 1.425 171 D HN 0.207 nan 8.370 nan 0.000 0.501 172 M N 0.029 119.710 119.600 0.135 0.000 2.149 172 M HA 0.047 4.527 4.480 0.000 0.000 0.261 172 M C 1.833 178.169 176.300 0.059 0.000 1.064 172 M CA 1.786 57.185 55.300 0.164 0.000 1.102 172 M CB -0.382 32.299 32.600 0.136 0.000 1.369 172 M HN 0.454 nan 8.290 nan 0.000 0.408 173 R N -1.324 119.108 120.500 -0.114 0.000 2.103 173 R HA -0.172 4.168 4.340 0.000 0.000 0.242 173 R C 2.050 178.391 176.300 0.068 0.000 1.142 173 R CA 2.019 58.053 56.100 -0.110 0.000 0.960 173 R CB -0.691 29.375 30.300 -0.390 0.000 0.858 173 R HN 0.432 nan 8.270 nan 0.000 0.439 174 F N -0.506 119.506 119.950 0.104 0.000 2.512 174 F HA -0.063 4.464 4.527 0.000 0.000 0.296 174 F C 2.212 177.952 175.800 -0.101 0.000 1.110 174 F CA -0.180 57.836 58.000 0.026 0.000 1.446 174 F CB 0.073 39.108 39.000 0.059 0.000 1.092 174 F HN -0.174 nan 8.300 nan 0.000 0.554 175 V N -0.368 119.645 119.914 0.165 0.000 2.427 175 V HA -0.317 3.803 4.120 0.000 0.000 0.248 175 V C 2.029 178.123 176.094 -0.000 0.000 1.051 175 V CA 1.732 64.084 62.300 0.087 0.000 1.048 175 V CB -0.725 31.238 31.823 0.233 0.000 0.666 175 V HN 0.386 nan 8.190 nan 0.000 0.456 176 Y N 0.308 120.592 120.300 -0.026 0.000 2.200 176 Y HA -0.254 4.296 4.550 0.000 0.000 0.290 176 Y C 2.533 178.314 175.900 -0.199 0.000 1.137 176 Y CA 1.650 59.713 58.100 -0.062 0.000 1.163 176 Y CB -0.726 37.751 38.460 0.028 0.000 0.988 176 Y HN 0.241 nan 8.280 nan 0.000 0.518 177 C N 0.394 119.526 119.300 -0.280 0.000 2.432 177 C HA -0.125 4.335 4.460 0.000 0.000 0.277 177 C C 3.079 177.773 174.990 -0.493 0.000 1.249 177 C CA 1.218 59.951 59.018 -0.474 0.000 1.725 177 C CB -1.762 25.937 27.740 -0.068 0.000 2.028 177 C HN 0.736 nan 8.230 nan 0.000 0.477 178 A N 0.512 123.024 122.820 -0.512 0.000 1.883 178 A HA -0.179 4.141 4.320 0.000 0.000 0.217 178 A C 2.264 179.582 177.584 -0.443 0.000 1.186 178 A CA 2.411 54.064 52.037 -0.640 0.000 0.624 178 A CB -0.882 17.252 19.000 -1.443 0.000 0.822 178 A HN 0.563 nan 8.150 nan 0.000 0.444 179 S N -0.890 114.612 115.700 -0.329 0.000 2.370 179 S HA -0.213 4.257 4.470 0.000 0.000 0.226 179 S C 1.952 176.365 174.600 -0.312 0.000 1.033 179 S CA 1.473 59.591 58.200 -0.137 0.000 1.011 179 S CB -0.748 62.490 63.200 0.064 0.000 0.852 179 S HN 0.717 nan 8.310 nan 0.000 0.457 180 C N 1.261 120.259 119.300 -0.502 0.000 2.429 180 C HA 0.020 4.480 4.460 0.000 0.000 0.277 180 C C 2.445 177.292 174.990 -0.239 0.000 1.262 180 C CA 0.253 59.004 59.018 -0.444 0.000 1.733 180 C CB -1.365 25.840 27.740 -0.892 0.000 2.010 180 C HN 0.548 nan 8.230 nan 0.000 0.483 181 I N 0.001 120.400 120.570 -0.285 0.000 2.179 181 I HA -0.235 3.935 4.170 0.000 0.000 0.242 181 I C 2.579 178.534 176.117 -0.270 0.000 1.088 181 I CA 1.444 62.631 61.300 -0.189 0.000 1.357 181 I CB -0.531 37.363 38.000 -0.176 0.000 1.051 181 I HN 0.361 nan 8.210 nan 0.000 0.409 182 C N -0.225 118.782 119.300 -0.487 0.000 2.413 182 C HA -0.230 4.230 4.460 0.000 0.000 0.277 182 C C 2.801 177.257 174.990 -0.891 0.000 1.265 182 C CA 0.741 59.267 59.018 -0.819 0.000 1.752 182 C CB -1.029 25.893 27.740 -1.363 0.000 1.998 182 C HN 0.511 nan 8.230 nan 0.000 0.489 183 Y N 0.931 120.756 120.300 -0.793 0.000 2.163 183 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 183 Y C 2.484 178.353 175.900 -0.051 0.000 1.136 183 Y CA 1.752 59.672 58.100 -0.299 0.000 1.147 183 Y CB -0.363 38.068 38.460 -0.049 0.000 0.987 183 Y HN 0.237 nan 8.280 nan 0.000 0.509 184 M N -0.653 119.008 119.600 0.101 0.000 2.175 184 M HA -0.170 4.310 4.480 0.000 0.000 0.264 184 M C 1.597 178.034 176.300 0.229 0.000 1.063 184 M CA 1.392 56.794 55.300 0.170 0.000 1.119 184 M CB -0.208 32.465 32.600 0.122 0.000 1.377 184 M HN 0.239 nan 8.290 nan 0.000 0.415 185 L N -0.019 121.241 121.223 0.061 0.000 2.612 185 L HA 0.043 4.383 4.340 0.000 0.000 0.230 185 L C 0.399 177.268 176.870 -0.002 0.000 1.140 185 L CA -0.237 54.677 54.840 0.124 0.000 0.896 185 L CB -0.865 41.189 42.059 -0.009 0.000 1.065 185 L HN 0.416 nan 8.230 nan 0.000 0.447 186 N N 2.178 120.718 118.700 -0.266 0.000 2.707 186 N HA -0.273 4.467 4.740 0.000 0.000 0.253 186 N C -0.479 174.897 175.510 -0.224 0.000 0.998 186 N CA 0.449 53.215 53.050 -0.472 0.000 0.751 186 N CB -0.815 37.045 38.487 -1.045 0.000 0.920 186 N HN 0.465 nan 8.380 nan 0.000 0.539 187 N N -0.096 118.445 118.700 -0.266 0.000 2.578 187 N HA 0.165 4.905 4.740 0.000 0.000 0.282 187 N C -0.868 174.505 175.510 -0.228 0.000 1.119 187 N CA -0.547 52.426 53.050 -0.128 0.000 0.948 187 N CB 0.112 38.549 38.487 -0.083 0.000 1.546 187 N HN 0.261 nan 8.380 nan 0.000 0.525 188 W N 1.984 123.286 121.300 0.003 0.000 3.400 188 W HA 0.170 4.830 4.660 0.000 0.000 0.347 188 W C 1.822 178.359 176.519 0.030 0.000 1.218 188 W CA -0.155 57.204 57.345 0.023 0.000 1.837 188 W CB 0.131 29.609 29.460 0.031 0.000 1.067 188 W HN 0.657 nan 8.180 nan 0.000 0.701 189 S N -1.321 114.462 115.700 0.139 0.000 2.555 189 S HA 0.000 4.470 4.470 0.000 0.000 0.230 189 S C 1.942 176.595 174.600 0.087 0.000 0.978 189 S CA 0.839 59.101 58.200 0.103 0.000 0.934 189 S CB -0.399 62.833 63.200 0.055 0.000 0.766 189 S HN 0.264 nan 8.310 nan 0.000 0.533 190 G N 1.382 110.222 108.800 0.066 0.000 2.598 190 G HA2 0.301 4.261 3.960 0.000 0.000 0.215 190 G HA3 0.301 4.261 3.960 0.000 0.000 0.215 190 G C 0.368 175.371 174.900 0.172 0.000 1.131 190 G CA 0.584 45.722 45.100 0.064 0.000 0.785 190 G HN 0.754 nan 8.290 nan 0.000 0.539 191 M N -2.304 117.432 119.600 0.228 0.000 2.644 191 M HA 0.470 4.950 4.480 0.000 0.000 0.273 191 M C -2.164 174.267 176.300 0.219 0.000 1.253 191 M CA -1.039 54.447 55.300 0.310 0.000 0.852 191 M CB 2.092 35.001 32.600 0.515 0.000 1.708 191 M HN -0.174 nan 8.290 nan 0.000 0.471 192 D N 2.202 122.692 120.400 0.149 0.000 2.494 192 D HA 0.246 4.886 4.640 0.000 0.000 0.217 192 D C 0.651 177.018 176.300 0.112 0.000 1.153 192 D CA -0.141 53.912 54.000 0.089 0.000 0.954 192 D CB 0.852 41.666 40.800 0.024 0.000 1.034 192 D HN 0.849 nan 8.370 nan 0.000 0.518 193 M N 3.193 122.871 119.600 0.129 0.000 2.144 193 M HA -0.231 4.249 4.480 0.000 0.000 0.260 193 M C 1.853 178.180 176.300 0.045 0.000 1.067 193 M CA 1.554 56.913 55.300 0.099 0.000 1.095 193 M CB 0.150 32.764 32.600 0.023 0.000 1.365 193 M HN 0.259 nan 8.290 nan 0.000 0.406 194 K N 0.054 120.468 120.400 0.023 0.000 2.057 194 K HA -0.195 4.125 4.320 0.000 0.000 0.207 194 K C 1.873 178.484 176.600 0.018 0.000 1.049 194 K CA 1.539 57.828 56.287 0.003 0.000 0.931 194 K CB 0.003 32.501 32.500 -0.003 0.000 0.714 194 K HN 0.325 nan 8.250 nan 0.000 0.440 195 K N -0.243 120.174 120.400 0.029 0.000 2.148 195 K HA -0.062 4.258 4.320 0.000 0.000 0.204 195 K C 2.074 178.721 176.600 0.078 0.000 1.050 195 K CA 0.939 57.246 56.287 0.034 0.000 0.942 195 K CB -0.023 32.477 32.500 0.000 0.000 0.724 195 K HN 0.198 nan 8.250 nan 0.000 0.446 196 A N 1.541 124.425 122.820 0.107 0.000 1.877 196 A HA -0.150 4.170 4.320 0.000 0.000 0.216 196 A C 2.062 179.746 177.584 0.168 0.000 1.186 196 A CA 1.251 53.400 52.037 0.185 0.000 0.620 196 A CB -0.558 18.600 19.000 0.264 0.000 0.822 196 A HN 0.171 nan 8.150 nan 0.000 0.443 197 I N -0.529 120.090 120.570 0.081 0.000 2.208 197 I HA -0.239 3.931 4.170 0.000 0.000 0.245 197 I C 2.839 178.955 176.117 -0.002 0.000 1.097 197 I CA 1.537 62.841 61.300 0.007 0.000 1.363 197 I CB -0.262 37.703 38.000 -0.058 0.000 1.051 197 I HN 0.431 nan 8.210 nan 0.000 0.413 198 S N 0.095 115.811 115.700 0.026 0.000 2.368 198 S HA -0.273 4.197 4.470 0.000 0.000 0.225 198 S C 2.172 176.803 174.600 0.051 0.000 1.030 198 S CA 1.388 59.599 58.200 0.019 0.000 0.999 198 S CB -0.437 62.782 63.200 0.031 0.000 0.844 198 S HN 0.498 nan 8.310 nan 0.000 0.459 199 Y N 1.767 122.070 120.300 0.004 0.000 2.145 199 Y HA -0.040 4.510 4.550 0.000 0.000 0.286 199 Y C 1.939 177.855 175.900 0.026 0.000 1.145 199 Y CA 1.808 59.920 58.100 0.020 0.000 1.148 199 Y CB -0.391 38.095 38.460 0.043 0.000 0.981 199 Y HN 0.297 nan 8.280 nan 0.000 0.507 200 I N -0.208 120.429 120.570 0.111 0.000 2.226 200 I HA -0.334 3.836 4.170 0.000 0.000 0.245 200 I C 2.540 178.659 176.117 0.004 0.000 1.100 200 I CA 1.443 62.775 61.300 0.055 0.000 1.374 200 I CB -0.427 37.631 38.000 0.096 0.000 1.057 200 I HN 0.182 nan 8.210 nan 0.000 0.413 201 R N 0.181 120.657 120.500 -0.041 0.000 2.066 201 R HA -0.103 4.237 4.340 0.000 0.000 0.232 201 R C 2.576 178.867 176.300 -0.015 0.000 1.131 201 R CA 1.162 57.254 56.100 -0.013 0.000 0.955 201 R CB -0.281 29.964 30.300 -0.092 0.000 0.851 201 R HN 0.179 nan 8.270 nan 0.000 0.432 202 R N 0.316 120.760 120.500 -0.094 0.000 2.293 202 R HA -0.039 4.301 4.340 0.000 0.000 0.219 202 R C 2.247 178.437 176.300 -0.183 0.000 1.091 202 R CA 1.227 57.252 56.100 -0.126 0.000 1.004 202 R CB -0.754 29.459 30.300 -0.145 0.000 0.865 202 R HN 0.531 nan 8.270 nan 0.000 0.469 203 S N -0.669 114.895 115.700 -0.227 0.000 2.558 203 S HA 0.116 4.586 4.470 0.000 0.000 0.217 203 S C 0.884 175.386 174.600 -0.164 0.000 0.975 203 S CA -0.115 57.943 58.200 -0.237 0.000 0.912 203 S CB -0.264 62.769 63.200 -0.278 0.000 0.776 203 S HN 0.486 nan 8.310 nan 0.000 0.526 204 M N 3.146 122.682 119.600 -0.106 0.000 2.246 204 M HA 0.233 4.713 4.480 0.000 0.000 0.350 204 M C 0.322 176.531 176.300 -0.153 0.000 1.406 204 M CA 0.039 55.256 55.300 -0.138 0.000 1.089 204 M CB 0.744 33.309 32.600 -0.060 0.000 1.782 204 M HN 0.322 nan 8.290 nan 0.000 0.457 205 S N 3.529 119.081 115.700 -0.248 0.000 2.681 205 S HA 0.224 4.694 4.470 0.000 0.000 0.270 205 S C 0.713 175.183 174.600 -0.217 0.000 1.209 205 S CA -0.460 57.592 58.200 -0.247 0.000 0.988 205 S CB 0.517 63.466 63.200 -0.418 0.000 1.006 205 S HN 0.759 nan 8.310 nan 0.000 0.558 206 Y N 0.735 120.996 120.300 -0.064 0.000 2.421 206 Y HA 0.064 4.614 4.550 0.000 0.000 0.292 206 Y C 1.458 177.347 175.900 -0.019 0.000 1.136 206 Y CA 1.308 59.388 58.100 -0.034 0.000 1.255 206 Y CB -0.743 37.707 38.460 -0.017 0.000 0.991 206 Y HN 0.642 nan 8.280 nan 0.000 0.552 207 D N -1.175 118.797 120.400 -0.713 0.000 2.328 207 D HA -0.037 4.603 4.640 0.000 0.000 0.221 207 D C 0.280 176.486 176.300 -0.156 0.000 1.072 207 D CA 0.439 54.245 54.000 -0.325 0.000 0.850 207 D CB -0.597 39.998 40.800 -0.341 0.000 0.922 207 D HN 0.445 nan 8.370 nan 0.000 0.516 208 N N -1.103 117.433 118.700 -0.272 0.000 2.980 208 N HA -0.098 4.642 4.740 0.000 0.000 0.219 208 N C 0.726 175.930 175.510 -0.509 0.000 0.883 208 N CA 1.190 54.078 53.050 -0.269 0.000 1.018 208 N CB -1.528 36.905 38.487 -0.089 0.000 1.041 208 N HN 0.484 nan 8.380 nan 0.000 0.592 209 G N 0.159 108.337 108.800 -1.038 0.000 2.580 209 G HA2 0.565 4.525 3.960 0.000 0.000 0.278 209 G HA3 0.565 4.525 3.960 0.000 0.000 0.278 209 G C -0.216 174.162 174.900 -0.870 0.000 1.212 209 G CA -0.320 43.836 45.100 -1.573 0.000 0.939 209 G HN 0.032 nan 8.290 nan 0.000 0.513 210 L N 0.311 121.110 121.223 -0.707 0.000 2.317 210 L HA 0.688 5.028 4.340 0.000 0.000 0.281 210 L C 0.777 177.454 176.870 -0.322 0.000 1.024 210 L CA -0.582 54.028 54.840 -0.384 0.000 0.810 210 L CB 1.194 43.117 42.059 -0.227 0.000 1.240 210 L HN 0.710 nan 8.230 nan 0.000 0.427 211 A N 2.066 124.749 122.820 -0.229 0.000 2.263 211 A HA 0.516 4.836 4.320 0.000 0.000 0.318 211 A C 0.744 178.266 177.584 -0.105 0.000 1.111 211 A CA -0.342 51.602 52.037 -0.156 0.000 0.901 211 A CB 0.669 19.585 19.000 -0.140 0.000 1.280 211 A HN 0.688 nan 8.150 nan 0.000 0.503 212 Q N -0.618 119.135 119.800 -0.077 0.000 2.224 212 Q HA 0.091 4.431 4.340 0.000 0.000 0.203 212 Q C 0.740 176.763 176.000 0.039 0.000 0.970 212 Q CA 1.385 57.169 55.803 -0.032 0.000 0.865 212 Q CB 0.014 28.713 28.738 -0.065 0.000 0.922 212 Q HN 0.900 nan 8.270 nan 0.000 0.445 213 G N -1.424 107.350 108.800 -0.044 0.000 2.576 213 G HA2 0.522 4.482 3.960 0.000 0.000 0.290 213 G HA3 0.522 4.482 3.960 0.000 0.000 0.290 213 G C -1.542 173.267 174.900 -0.152 0.000 1.442 213 G CA -0.368 44.672 45.100 -0.102 0.000 0.792 213 G HN 0.130 nan 8.290 nan 0.000 0.491 214 A N -0.748 121.955 122.820 -0.195 0.000 2.567 214 A HA 0.514 4.834 4.320 0.000 0.000 0.240 214 A C 1.749 179.300 177.584 -0.056 0.000 1.053 214 A CA 1.775 53.736 52.037 -0.128 0.000 0.755 214 A CB -0.388 18.547 19.000 -0.108 0.000 0.978 214 A HN 2.837 nan 8.150 nan 0.000 0.507 215 G N 0.923 109.700 108.800 -0.039 0.000 2.267 215 G HA2 -0.189 3.771 3.960 0.000 0.000 0.257 215 G HA3 -0.189 3.771 3.960 0.000 0.000 0.257 215 G C 0.132 175.037 174.900 0.009 0.000 0.998 215 G CA 0.409 45.509 45.100 0.001 0.000 0.620 215 G HN 0.782 nan 8.290 nan 0.000 0.529 216 L N 1.228 122.440 121.223 -0.019 0.000 2.466 216 L HA 0.486 4.826 4.340 0.000 0.000 0.257 216 L C 1.042 177.897 176.870 -0.025 0.000 1.189 216 L CA -0.713 54.118 54.840 -0.014 0.000 0.813 216 L CB 0.763 42.805 42.059 -0.028 0.000 1.118 216 L HN 0.439 nan 8.230 nan 0.000 0.471 217 E N 0.542 120.739 120.200 -0.006 0.000 2.417 217 E HA 0.090 4.440 4.350 0.000 0.000 0.261 217 E C -0.324 176.247 176.600 -0.048 0.000 1.000 217 E CA -0.382 56.014 56.400 -0.006 0.000 0.919 217 E CB 0.612 30.336 29.700 0.039 0.000 0.955 217 E HN 0.637 nan 8.360 nan 0.000 0.455 218 S N 4.593 120.205 115.700 -0.146 0.000 2.568 218 S HA 0.021 4.491 4.470 0.000 0.000 0.282 218 S C -0.151 174.410 174.600 -0.065 0.000 1.338 218 S CA -0.402 57.625 58.200 -0.289 0.000 1.045 218 S CB 0.848 63.626 63.200 -0.704 0.000 0.873 218 S HN 0.675 nan 8.310 nan 0.000 0.516 219 H N 0.497 119.436 119.070 -0.219 0.000 2.930 219 H HA 0.370 4.926 4.556 0.000 0.000 0.371 219 H C 1.142 176.512 175.328 0.069 0.000 1.169 219 H CA -0.052 55.997 56.048 0.002 0.000 1.157 219 H CB 1.620 31.347 29.762 -0.058 0.000 1.789 219 H HN 0.721 nan 8.280 nan 0.000 0.547 220 G N 1.552 110.251 108.800 -0.169 0.000 2.442 220 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 220 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 220 G C 1.428 176.415 174.900 0.145 0.000 1.141 220 G CA 0.841 45.983 45.100 0.069 0.000 0.763 220 G HN 0.649 nan 8.290 nan 0.000 0.554 221 G N 0.944 109.842 108.800 0.163 0.000 2.404 221 G HA2 -0.147 3.813 3.960 0.000 0.000 0.215 221 G HA3 -0.147 3.813 3.960 0.000 0.000 0.215 221 G C 2.231 177.105 174.900 -0.044 0.000 1.174 221 G CA 1.798 46.776 45.100 -0.205 0.000 0.780 221 G HN 0.648 nan 8.290 nan 0.000 0.537 222 S N 0.086 115.815 115.700 0.048 0.000 2.402 222 S HA -0.092 4.378 4.470 0.000 0.000 0.229 222 S C 2.216 176.813 174.600 -0.005 0.000 1.021 222 S CA 1.890 60.082 58.200 -0.013 0.000 0.974 222 S CB -0.674 62.498 63.200 -0.046 0.000 0.800 222 S HN 0.252 nan 8.310 nan 0.000 0.484 223 T N 1.936 116.487 114.554 -0.005 0.000 2.777 223 T HA 0.019 4.369 4.350 0.000 0.000 0.266 223 T C 1.260 175.984 174.700 0.039 0.000 1.040 223 T CA 1.377 63.454 62.100 -0.039 0.000 1.141 223 T CB -0.544 68.285 68.868 -0.065 0.000 0.868 223 T HN 0.505 nan 8.240 nan 0.000 0.444 224 F N 1.524 121.482 119.950 0.013 0.000 2.102 224 F HA -0.159 4.368 4.527 0.000 0.000 0.298 224 F C 2.418 178.203 175.800 -0.024 0.000 1.105 224 F CA 0.749 58.764 58.000 0.025 0.000 1.239 224 F CB -0.874 38.215 39.000 0.149 0.000 0.991 224 F HN 0.148 nan 8.300 nan 0.000 0.474 225 C N 1.029 120.254 119.300 -0.125 0.000 2.413 225 C HA -0.114 4.346 4.460 0.000 0.000 0.276 225 C C 3.099 178.037 174.990 -0.087 0.000 1.248 225 C CA 1.274 60.170 59.018 -0.203 0.000 1.742 225 C CB -1.988 25.764 27.740 0.019 0.000 2.017 225 C HN 0.754 nan 8.230 nan 0.000 0.481 226 G N 0.608 109.390 108.800 -0.031 0.000 2.414 226 G HA2 -0.114 3.846 3.960 0.000 0.000 0.215 226 G HA3 -0.114 3.846 3.960 0.000 0.000 0.215 226 G C 1.381 176.297 174.900 0.027 0.000 1.188 226 G CA 0.750 45.876 45.100 0.042 0.000 0.783 226 G HN 0.362 nan 8.290 nan 0.000 0.537 227 I N 2.013 122.562 120.570 -0.034 0.000 2.179 227 I HA -0.127 4.043 4.170 0.000 0.000 0.242 227 I C 3.270 179.331 176.117 -0.093 0.000 1.088 227 I CA 1.266 62.552 61.300 -0.024 0.000 1.357 227 I CB -1.378 36.595 38.000 -0.044 0.000 1.051 227 I HN 0.261 nan 8.210 nan 0.000 0.409 228 A N 0.268 122.908 122.820 -0.300 0.000 1.933 228 A HA -0.166 4.154 4.320 0.000 0.000 0.218 228 A C 2.599 180.185 177.584 0.003 0.000 1.175 228 A CA 2.014 53.897 52.037 -0.257 0.000 0.628 228 A CB -0.721 17.853 19.000 -0.710 0.000 0.814 228 A HN 0.414 nan 8.150 nan 0.000 0.444 229 S N -0.082 115.658 115.700 0.067 0.000 2.356 229 S HA -0.111 4.359 4.470 0.000 0.000 0.223 229 S C 1.835 176.492 174.600 0.094 0.000 1.032 229 S CA 1.501 59.785 58.200 0.140 0.000 1.005 229 S CB -0.470 62.826 63.200 0.161 0.000 0.867 229 S HN 0.524 nan 8.310 nan 0.000 0.449 230 L N 0.663 121.918 121.223 0.053 0.000 2.046 230 L HA -0.172 4.168 4.340 0.000 0.000 0.208 230 L C 2.576 179.453 176.870 0.013 0.000 1.077 230 L CA 0.910 55.760 54.840 0.016 0.000 0.747 230 L CB -0.761 41.316 42.059 0.030 0.000 0.896 230 L HN 0.427 nan 8.230 nan 0.000 0.432 231 C N -0.608 118.710 119.300 0.030 0.000 2.425 231 C HA -0.129 4.331 4.460 0.000 0.000 0.277 231 C C 2.641 177.668 174.990 0.061 0.000 1.280 231 C CA 0.100 59.141 59.018 0.037 0.000 1.744 231 C CB -0.722 27.035 27.740 0.029 0.000 1.989 231 C HN 0.393 nan 8.230 nan 0.000 0.491 232 L N 0.281 121.551 121.223 0.078 0.000 2.131 232 L HA -0.055 4.285 4.340 0.000 0.000 0.210 232 L C 2.343 179.385 176.870 0.287 0.000 1.092 232 L CA 1.793 56.721 54.840 0.147 0.000 0.759 232 L CB -0.702 41.456 42.059 0.165 0.000 0.903 232 L HN 0.368 nan 8.230 nan 0.000 0.435 233 M N -1.633 117.969 119.600 0.004 0.000 2.558 233 M HA 0.180 4.660 4.480 0.000 0.000 0.255 233 M C 1.254 177.411 176.300 -0.237 0.000 1.113 233 M CA 0.765 55.805 55.300 -0.432 0.000 1.097 233 M CB -0.168 32.153 32.600 -0.466 0.000 1.426 233 M HN 0.334 nan 8.290 nan 0.000 0.488 234 G N 2.037 110.802 108.800 -0.059 0.000 2.246 234 G HA2 -0.260 3.700 3.960 0.000 0.000 0.273 234 G HA3 -0.260 3.700 3.960 0.000 0.000 0.273 234 G C 0.306 175.170 174.900 -0.059 0.000 1.055 234 G CA 0.266 45.351 45.100 -0.024 0.000 0.851 234 G HN 0.528 nan 8.290 nan 0.000 0.500 235 K N -0.680 119.678 120.400 -0.070 0.000 2.619 235 K HA 0.351 4.671 4.320 0.000 0.000 0.201 235 K C 1.986 178.554 176.600 -0.054 0.000 1.090 235 K CA -0.512 55.729 56.287 -0.077 0.000 1.063 235 K CB 0.273 32.700 32.500 -0.123 0.000 0.810 235 K HN 0.325 nan 8.250 nan 0.000 0.506 236 L N 1.375 122.594 121.223 -0.006 0.000 1.970 236 L HA -0.230 4.110 4.340 0.000 0.000 0.212 236 L C 1.795 178.700 176.870 0.059 0.000 1.071 236 L CA 1.866 56.735 54.840 0.048 0.000 0.751 236 L CB 0.031 42.134 42.059 0.074 0.000 0.889 236 L HN 0.334 nan 8.230 nan 0.000 0.432 237 E N -0.288 119.938 120.200 0.043 0.000 2.118 237 E HA -0.307 4.043 4.350 0.000 0.000 0.195 237 E C 1.897 178.507 176.600 0.017 0.000 0.992 237 E CA 1.444 57.871 56.400 0.044 0.000 0.804 237 E CB -0.198 29.521 29.700 0.032 0.000 0.741 237 E HN 0.603 nan 8.360 nan 0.000 0.458 238 E N 0.655 120.843 120.200 -0.020 0.000 2.106 238 E HA -0.111 4.239 4.350 0.000 0.000 0.192 238 E C 2.030 178.577 176.600 -0.088 0.000 0.984 238 E CA 0.776 57.148 56.400 -0.046 0.000 0.806 238 E CB 0.339 30.003 29.700 -0.059 0.000 0.750 238 E HN 0.019 nan 8.360 nan 0.000 0.458 239 V N 0.243 120.064 119.914 -0.155 0.000 2.446 239 V HA -0.001 4.119 4.120 0.000 0.000 0.244 239 V C 0.707 176.558 176.094 -0.405 0.000 1.039 239 V CA 0.958 63.056 62.300 -0.337 0.000 1.045 239 V CB -0.153 31.354 31.823 -0.527 0.000 0.681 239 V HN 0.100 nan 8.190 nan 0.000 0.459 240 F N 0.490 120.433 119.950 -0.013 0.000 2.469 240 F HA 0.485 5.012 4.527 0.000 0.000 0.332 240 F C 0.851 176.649 175.800 -0.005 0.000 1.103 240 F CA -0.745 57.249 58.000 -0.011 0.000 0.979 240 F CB 1.580 40.573 39.000 -0.013 0.000 1.137 240 F HN -0.023 nan 8.300 nan 0.000 0.463 241 S N 1.102 116.929 115.700 0.210 0.000 2.608 241 S HA 0.071 4.542 4.470 0.000 0.000 0.261 241 S C 1.110 175.770 174.600 0.100 0.000 1.314 241 S CA -0.477 57.791 58.200 0.114 0.000 0.992 241 S CB 1.253 64.503 63.200 0.083 0.000 0.935 241 S HN 0.877 nan 8.310 nan 0.000 0.564 242 E N 0.621 120.860 120.200 0.065 0.000 2.085 242 E HA -0.206 4.144 4.350 0.000 0.000 0.194 242 E C 2.080 178.702 176.600 0.038 0.000 0.994 242 E CA 1.466 57.896 56.400 0.051 0.000 0.801 242 E CB -0.204 29.519 29.700 0.039 0.000 0.743 242 E HN 0.587 nan 8.360 nan 0.000 0.453 243 K N 0.539 120.960 120.400 0.035 0.000 2.057 243 K HA -0.180 4.140 4.320 0.000 0.000 0.207 243 K C 1.848 178.455 176.600 0.012 0.000 1.049 243 K CA 1.871 58.172 56.287 0.023 0.000 0.931 243 K CB -0.371 32.143 32.500 0.025 0.000 0.714 243 K HN 0.406 nan 8.250 nan 0.000 0.440 244 E N 0.111 120.324 120.200 0.022 0.000 2.051 244 E HA -0.087 4.263 4.350 0.000 0.000 0.192 244 E C 2.236 178.769 176.600 -0.112 0.000 0.991 244 E CA 1.718 58.101 56.400 -0.028 0.000 0.799 244 E CB -0.230 29.510 29.700 0.067 0.000 0.748 244 E HN 0.342 nan 8.360 nan 0.000 0.449 245 L N 1.335 122.526 121.223 -0.053 0.000 2.131 245 L HA -0.200 4.140 4.340 0.000 0.000 0.210 245 L C 2.055 178.905 176.870 -0.034 0.000 1.092 245 L CA 0.646 55.447 54.840 -0.065 0.000 0.759 245 L CB -0.429 41.643 42.059 0.022 0.000 0.903 245 L HN 0.164 nan 8.230 nan 0.000 0.435 246 N N 0.246 118.941 118.700 -0.008 0.000 2.188 246 N HA -0.133 4.607 4.740 0.000 0.000 0.184 246 N C 1.921 177.434 175.510 0.005 0.000 1.018 246 N CA 1.110 54.164 53.050 0.008 0.000 0.858 246 N CB -0.159 38.335 38.487 0.011 0.000 0.989 246 N HN 0.360 nan 8.380 nan 0.000 0.426 247 R N 0.517 121.007 120.500 -0.016 0.000 2.075 247 R HA 0.095 4.435 4.340 0.000 0.000 0.232 247 R C 2.265 178.568 176.300 0.007 0.000 1.126 247 R CA 0.734 56.830 56.100 -0.007 0.000 0.963 247 R CB -0.225 30.056 30.300 -0.032 0.000 0.858 247 R HN 0.227 nan 8.270 nan 0.000 0.435 248 I N 1.067 121.598 120.570 -0.066 0.000 2.252 248 I HA -0.272 3.898 4.170 0.000 0.000 0.245 248 I C 2.078 178.243 176.117 0.080 0.000 1.102 248 I CA 1.411 62.677 61.300 -0.057 0.000 1.385 248 I CB -0.231 37.633 38.000 -0.227 0.000 1.064 248 I HN 0.121 nan 8.210 nan 0.000 0.414 249 K N 0.437 120.869 120.400 0.053 0.000 2.063 249 K HA -0.249 4.071 4.320 0.000 0.000 0.208 249 K C 2.248 178.913 176.600 0.109 0.000 1.048 249 K CA 1.488 57.830 56.287 0.092 0.000 0.928 249 K CB -0.245 32.301 32.500 0.076 0.000 0.713 249 K HN 0.069 nan 8.250 nan 0.000 0.442 250 R N 0.568 121.121 120.500 0.089 0.000 2.073 250 R HA -0.185 4.155 4.340 0.000 0.000 0.234 250 R C 1.858 178.211 176.300 0.088 0.000 1.134 250 R CA 1.671 57.813 56.100 0.071 0.000 0.952 250 R CB -0.812 29.521 30.300 0.055 0.000 0.850 250 R HN 0.395 nan 8.270 nan 0.000 0.433 251 W N -0.109 121.173 121.300 -0.029 0.000 2.355 251 W HA -0.226 4.434 4.660 0.000 0.000 0.309 251 W C 2.050 178.569 176.519 -0.001 0.000 1.206 251 W CA 1.794 59.118 57.345 -0.035 0.000 1.284 251 W CB -0.588 28.827 29.460 -0.075 0.000 1.145 251 W HN 0.161 nan 8.180 nan 0.000 0.502 252 C N -0.214 119.260 119.300 0.290 0.000 2.436 252 C HA -0.196 4.264 4.460 0.000 0.000 0.277 252 C C 2.679 177.708 174.990 0.066 0.000 1.241 252 C CA 1.200 60.335 59.018 0.194 0.000 1.721 252 C CB -1.537 26.363 27.740 0.265 0.000 2.043 252 C HN 0.446 nan 8.230 nan 0.000 0.472 253 I N 0.516 121.137 120.570 0.086 0.000 2.756 253 I HA -0.153 4.018 4.170 0.000 0.000 0.262 253 I C 2.005 178.099 176.117 -0.039 0.000 1.225 253 I CA 1.120 62.470 61.300 0.082 0.000 1.472 253 I CB -0.076 37.977 38.000 0.089 0.000 1.094 253 I HN 0.279 nan 8.210 nan 0.000 0.454 254 M N -0.267 119.254 119.600 -0.130 0.000 2.562 254 M HA -0.014 4.466 4.480 0.000 0.000 0.257 254 M C 1.740 177.879 176.300 -0.269 0.000 1.099 254 M CA 0.848 56.026 55.300 -0.203 0.000 1.099 254 M CB -0.839 31.617 32.600 -0.240 0.000 1.427 254 M HN 0.161 nan 8.290 nan 0.000 0.489 255 R N 0.364 120.708 120.500 -0.260 0.000 2.235 255 R HA 0.021 4.361 4.340 0.000 0.000 0.213 255 R C 0.905 176.929 176.300 -0.460 0.000 1.059 255 R CA 0.209 56.164 56.100 -0.241 0.000 0.997 255 R CB -0.654 29.618 30.300 -0.045 0.000 0.884 255 R HN 0.540 nan 8.270 nan 0.000 0.462 256 Q N 1.139 120.637 119.800 -0.503 0.000 2.296 256 Q HA -0.011 4.329 4.340 0.000 0.000 0.262 256 Q C 0.222 175.870 176.000 -0.586 0.000 0.981 256 Q CA 0.076 55.357 55.803 -0.869 0.000 0.905 256 Q CB 0.876 29.052 28.738 -0.938 0.000 1.186 256 Q HN -0.012 nan 8.270 nan 0.000 0.399 257 Q N 2.767 122.227 119.800 -0.567 0.000 2.511 257 Q HA 0.107 4.447 4.340 0.000 0.000 0.236 257 Q C 0.251 176.083 176.000 -0.280 0.000 0.893 257 Q CA 1.425 56.994 55.803 -0.389 0.000 0.947 257 Q CB 0.559 29.064 28.738 -0.388 0.000 1.110 257 Q HN 0.878 nan 8.270 nan 0.000 0.591 258 N N -0.994 117.525 118.700 -0.301 0.000 2.626 258 N HA 0.061 4.801 4.740 0.000 0.000 0.339 258 N C 0.814 176.219 175.510 -0.175 0.000 0.610 258 N CA 0.429 53.383 53.050 -0.160 0.000 1.434 258 N CB -0.228 38.225 38.487 -0.057 0.000 1.551 258 N HN 0.090 nan 8.380 nan 0.000 1.653 259 G N -1.016 107.621 108.800 -0.271 0.000 2.641 259 G HA2 0.559 4.519 3.960 0.000 0.000 0.239 259 G HA3 0.559 4.519 3.960 0.000 0.000 0.239 259 G C -1.418 173.323 174.900 -0.264 0.000 1.402 259 G CA -0.302 44.697 45.100 -0.168 0.000 1.046 259 G HN 0.139 nan 8.290 nan 0.000 0.565 260 Y N -0.678 119.561 120.300 -0.102 0.000 2.485 260 Y HA 0.447 4.997 4.550 0.000 0.000 0.345 260 Y C 0.635 176.564 175.900 0.049 0.000 0.998 260 Y CA -0.884 57.182 58.100 -0.057 0.000 1.059 260 Y CB 1.735 40.239 38.460 0.074 0.000 1.234 260 Y HN 0.721 nan 8.280 nan 0.000 0.461 261 H N -1.517 117.560 119.070 0.012 0.000 2.615 261 H HA 0.615 5.171 4.556 0.000 0.000 0.346 261 H C 0.475 175.428 175.328 -0.625 0.000 1.200 261 H CA -0.849 55.115 56.048 -0.140 0.000 1.264 261 H CB 1.943 31.623 29.762 -0.136 0.000 1.699 261 H HN 0.812 nan 8.280 nan 0.000 0.567 262 G N 0.018 108.203 108.800 -1.025 0.000 2.603 262 G HA2 0.079 4.039 3.960 0.000 0.000 0.214 262 G HA3 0.079 4.039 3.960 0.000 0.000 0.214 262 G C 0.231 174.644 174.900 -0.812 0.000 1.140 262 G CA -0.237 43.920 45.100 -1.571 0.000 0.800 262 G HN 0.754 nan 8.290 nan 0.000 0.533 263 R N -1.362 118.717 120.500 -0.702 0.000 2.690 263 R HA 0.387 4.727 4.340 0.000 0.000 0.269 263 R C -3.498 172.307 176.300 -0.825 0.000 1.037 263 R CA -2.021 53.787 56.100 -0.487 0.000 0.877 263 R CB 0.287 30.498 30.300 -0.148 0.000 1.255 263 R HN -0.244 nan 8.270 nan 0.000 0.467 264 P HA -0.090 nan 4.420 nan 0.000 0.263 264 P C -0.495 176.651 177.300 -0.258 0.000 1.168 264 P CA 0.479 63.373 63.100 -0.343 0.000 0.759 264 P CB 0.224 31.851 31.700 -0.122 0.000 0.782 265 N N -0.688 117.940 118.700 -0.121 0.000 2.741 265 N HA -0.178 4.562 4.740 0.000 0.000 0.251 265 N C -0.311 175.170 175.510 -0.049 0.000 1.112 265 N CA 1.313 54.339 53.050 -0.040 0.000 0.750 265 N CB -0.689 37.782 38.487 -0.026 0.000 1.119 265 N HN 0.483 nan 8.380 nan 0.000 0.561 266 K N 0.551 120.884 120.400 -0.112 0.000 2.259 266 K HA 0.479 4.799 4.320 0.000 0.000 0.249 266 K C -2.186 174.479 176.600 0.107 0.000 0.942 266 K CA -1.482 54.785 56.287 -0.033 0.000 0.816 266 K CB 1.863 34.302 32.500 -0.101 0.000 1.155 266 K HN -0.085 nan 8.250 nan 0.000 0.428 267 P HA 0.010 nan 4.420 nan 0.000 0.272 267 P C 0.175 177.624 177.300 0.250 0.000 1.223 267 P CA -0.439 62.736 63.100 0.124 0.000 0.784 267 P CB 0.496 32.205 31.700 0.015 0.000 0.923 268 V N -0.954 119.054 119.914 0.156 0.000 3.096 268 V HA 0.363 4.483 4.120 0.000 0.000 0.306 268 V C 0.048 176.382 176.094 0.400 0.000 1.088 268 V CA 0.008 62.391 62.300 0.138 0.000 1.129 268 V CB 0.476 32.113 31.823 -0.311 0.000 1.014 268 V HN 0.621 nan 8.190 nan 0.000 0.486 269 D N 1.551 122.217 120.400 0.444 0.000 2.936 269 D HA 0.314 4.955 4.640 0.000 0.000 0.238 269 D C 0.808 177.332 176.300 0.373 0.000 1.248 269 D CA -0.021 54.234 54.000 0.425 0.000 0.903 269 D CB 2.227 43.278 40.800 0.417 0.000 1.544 269 D HN 0.646 nan 8.370 nan 0.000 0.543 270 T N 1.929 116.738 114.554 0.426 0.000 2.653 270 T HA -0.245 4.105 4.350 0.000 0.000 0.267 270 T C 2.019 176.790 174.700 0.118 0.000 1.037 270 T CA 2.396 64.705 62.100 0.349 0.000 1.159 270 T CB -0.647 68.367 68.868 0.243 0.000 0.859 270 T HN 0.787 nan 8.240 nan 0.000 0.449 271 C N 0.450 119.746 119.300 -0.007 0.000 2.409 271 C HA -0.072 4.388 4.460 0.000 0.000 0.284 271 C C 2.218 177.000 174.990 -0.346 0.000 1.354 271 C CA -0.114 58.700 59.018 -0.340 0.000 1.787 271 C CB -2.082 25.283 27.740 -0.624 0.000 1.900 271 C HN 0.505 nan 8.230 nan 0.000 0.520 272 Y N 2.019 122.419 120.300 0.167 0.000 2.509 272 Y HA 0.006 4.556 4.550 0.000 0.000 0.293 272 Y C 2.838 178.688 175.900 -0.083 0.000 1.133 272 Y CA 1.276 59.483 58.100 0.178 0.000 1.283 272 Y CB -0.789 37.805 38.460 0.224 0.000 1.001 272 Y HN 0.354 nan 8.280 nan 0.000 0.555 273 S N -0.446 115.263 115.700 0.014 0.000 2.442 273 S HA -0.168 4.302 4.470 0.000 0.000 0.236 273 S C 1.688 176.098 174.600 -0.318 0.000 1.007 273 S CA 1.203 59.299 58.200 -0.173 0.000 0.965 273 S CB -0.388 62.824 63.200 0.021 0.000 0.773 273 S HN 0.539 nan 8.310 nan 0.000 0.504 274 F N 0.059 119.766 119.950 -0.405 0.000 2.315 274 F HA 0.202 4.729 4.527 0.000 0.000 0.284 274 F C 1.573 177.089 175.800 -0.473 0.000 1.049 274 F CA 0.055 57.758 58.000 -0.495 0.000 1.323 274 F CB -0.607 38.083 39.000 -0.516 0.000 1.113 274 F HN 0.155 nan 8.300 nan 0.000 0.544 275 W N 0.505 121.541 121.300 -0.441 0.000 2.301 275 W HA -0.242 4.418 4.660 0.000 0.000 0.325 275 W C 2.345 178.694 176.519 -0.283 0.000 1.250 275 W CA 1.774 58.837 57.345 -0.470 0.000 1.261 275 W CB -1.020 28.372 29.460 -0.113 0.000 1.157 275 W HN -0.168 nan 8.180 nan 0.000 0.473 276 V N 0.271 120.218 119.914 0.054 0.000 2.346 276 V HA -0.094 4.026 4.120 0.000 0.000 0.244 276 V C 2.381 178.336 176.094 -0.232 0.000 1.037 276 V CA 1.931 64.220 62.300 -0.019 0.000 1.029 276 V CB -1.650 30.172 31.823 -0.001 0.000 0.663 276 V HN 0.383 nan 8.190 nan 0.000 0.454 277 G N 0.084 108.562 108.800 -0.538 0.000 2.440 277 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 277 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 277 G C 1.736 176.229 174.900 -0.678 0.000 1.154 277 G CA 1.190 45.912 45.100 -0.629 0.000 0.767 277 G HN 0.605 nan 8.290 nan 0.000 0.552 278 A N 0.002 122.385 122.820 -0.729 0.000 1.969 278 A HA 0.039 4.359 4.320 0.000 0.000 0.218 278 A C 2.521 179.992 177.584 -0.189 0.000 1.169 278 A CA 2.327 54.000 52.037 -0.608 0.000 0.635 278 A CB -0.742 17.603 19.000 -1.091 0.000 0.810 278 A HN 0.301 nan 8.150 nan 0.000 0.445 279 T N 0.528 115.056 114.554 -0.042 0.000 2.737 279 T HA -0.072 4.278 4.350 0.000 0.000 0.265 279 T C 1.808 176.530 174.700 0.036 0.000 1.038 279 T CA 1.426 63.563 62.100 0.062 0.000 1.144 279 T CB -0.387 68.564 68.868 0.138 0.000 0.866 279 T HN 0.370 nan 8.240 nan 0.000 0.434 280 L N 0.745 121.996 121.223 0.046 0.000 2.079 280 L HA -0.139 4.201 4.340 0.000 0.000 0.210 280 L C 2.617 179.562 176.870 0.125 0.000 1.081 280 L CA 1.222 56.147 54.840 0.141 0.000 0.752 280 L CB -0.439 41.795 42.059 0.292 0.000 0.896 280 L HN 0.188 nan 8.230 nan 0.000 0.433 281 K N 0.900 121.303 120.400 0.004 0.000 2.057 281 K HA -0.145 4.175 4.320 0.000 0.000 0.207 281 K C 1.934 178.535 176.600 0.001 0.000 1.049 281 K CA 1.538 57.818 56.287 -0.011 0.000 0.931 281 K CB -0.372 32.007 32.500 -0.201 0.000 0.714 281 K HN 0.177 nan 8.250 nan 0.000 0.440 282 L N 0.306 121.520 121.223 -0.015 0.000 2.131 282 L HA -0.070 4.270 4.340 0.000 0.000 0.210 282 L C 1.789 178.676 176.870 0.028 0.000 1.092 282 L CA 0.805 55.644 54.840 -0.001 0.000 0.759 282 L CB -0.230 41.825 42.059 -0.007 0.000 0.903 282 L HN 0.167 nan 8.230 nan 0.000 0.435 283 L N -0.732 120.520 121.223 0.049 0.000 2.612 283 L HA 0.026 4.366 4.340 0.000 0.000 0.230 283 L C 0.588 177.507 176.870 0.083 0.000 1.140 283 L CA -0.108 54.771 54.840 0.066 0.000 0.896 283 L CB -0.089 42.014 42.059 0.074 0.000 1.065 283 L HN 0.133 nan 8.230 nan 0.000 0.447 284 K N 0.332 120.777 120.400 0.075 0.000 3.160 284 K HA -0.195 4.125 4.320 0.000 0.000 0.280 284 K C 0.511 177.161 176.600 0.084 0.000 1.154 284 K CA 1.094 57.423 56.287 0.071 0.000 0.822 284 K CB -1.522 31.016 32.500 0.063 0.000 1.239 284 K HN 0.655 nan 8.250 nan 0.000 0.489 285 I N -4.643 116.005 120.570 0.130 0.000 4.160 285 I HA 0.256 4.426 4.170 0.000 0.000 0.325 285 I C 1.225 177.432 176.117 0.149 0.000 1.455 285 I CA -0.697 60.703 61.300 0.166 0.000 1.142 285 I CB 0.133 38.322 38.000 0.314 0.000 1.262 285 I HN -0.016 nan 8.210 nan 0.000 0.483 286 F N 3.387 123.348 119.950 0.019 0.000 2.216 286 F HA -0.174 4.353 4.527 0.000 0.000 0.300 286 F C 2.559 178.436 175.800 0.129 0.000 1.085 286 F CA 2.304 60.354 58.000 0.083 0.000 1.326 286 F CB -0.088 38.938 39.000 0.044 0.000 1.027 286 F HN 0.380 nan 8.300 nan 0.000 0.497 287 Q N -1.226 118.498 119.800 -0.127 0.000 2.297 287 Q HA -0.256 4.084 4.340 0.000 0.000 0.208 287 Q C 1.119 176.819 176.000 -0.499 0.000 0.981 287 Q CA 1.961 57.546 55.803 -0.364 0.000 0.876 287 Q CB -1.094 27.338 28.738 -0.510 0.000 0.921 287 Q HN 0.623 nan 8.270 nan 0.000 0.446 288 Y N 2.066 122.304 120.300 -0.104 0.000 2.457 288 Y HA 0.132 4.682 4.550 0.000 0.000 0.263 288 Y C 1.103 176.933 175.900 -0.115 0.000 1.164 288 Y CA -0.124 57.909 58.100 -0.112 0.000 1.274 288 Y CB 0.517 38.947 38.460 -0.050 0.000 1.097 288 Y HN 0.167 nan 8.280 nan 0.000 0.523 289 T N -1.897 112.633 114.554 -0.040 0.000 2.824 289 T HA 0.075 4.425 4.350 0.000 0.000 0.277 289 T C 0.068 174.762 174.700 -0.011 0.000 0.975 289 T CA -0.973 61.120 62.100 -0.011 0.000 0.966 289 T CB 1.181 70.041 68.868 -0.014 0.000 1.054 289 T HN 0.079 nan 8.240 nan 0.000 0.533 290 N N 0.633 119.350 118.700 0.029 0.000 2.415 290 N HA 0.144 4.884 4.740 0.000 0.000 0.246 290 N C 0.376 176.010 175.510 0.207 0.000 1.078 290 N CA -0.436 52.643 53.050 0.048 0.000 0.942 290 N CB -0.180 38.304 38.487 -0.005 0.000 1.140 290 N HN 0.706 nan 8.380 nan 0.000 0.501 291 F N 1.512 121.407 119.950 -0.093 0.000 2.113 291 F HA -0.133 4.394 4.527 0.000 0.000 0.297 291 F C 2.006 177.812 175.800 0.010 0.000 1.103 291 F CA 0.374 58.345 58.000 -0.047 0.000 1.248 291 F CB 0.346 39.312 39.000 -0.057 0.000 0.999 291 F HN 0.430 nan 8.300 nan 0.000 0.475 292 E N 1.010 121.335 120.200 0.209 0.000 2.038 292 E HA -0.210 4.140 4.350 0.000 0.000 0.195 292 E C 1.908 178.572 176.600 0.107 0.000 1.000 292 E CA 1.300 57.777 56.400 0.128 0.000 0.803 292 E CB -0.531 29.219 29.700 0.083 0.000 0.750 292 E HN 0.424 nan 8.360 nan 0.000 0.448 293 K N 0.612 121.064 120.400 0.088 0.000 2.147 293 K HA -0.123 4.197 4.320 0.000 0.000 0.205 293 K C 2.006 178.678 176.600 0.120 0.000 1.049 293 K CA 1.082 57.416 56.287 0.077 0.000 0.936 293 K CB -0.108 32.406 32.500 0.024 0.000 0.722 293 K HN -0.019 nan 8.250 nan 0.000 0.446 294 N N 1.593 120.372 118.700 0.132 0.000 2.135 294 N HA -0.163 4.577 4.740 0.000 0.000 0.186 294 N C 1.719 177.347 175.510 0.196 0.000 1.027 294 N CA 1.298 54.468 53.050 0.201 0.000 0.849 294 N CB -0.013 38.636 38.487 0.268 0.000 1.002 294 N HN 0.053 nan 8.380 nan 0.000 0.425 295 R N 0.109 120.687 120.500 0.129 0.000 2.083 295 R HA -0.060 4.280 4.340 0.000 0.000 0.237 295 R C 1.443 177.810 176.300 0.112 0.000 1.137 295 R CA 1.628 57.782 56.100 0.090 0.000 0.951 295 R CB -0.228 30.111 30.300 0.066 0.000 0.851 295 R HN 0.279 nan 8.270 nan 0.000 0.434 296 N N -0.132 118.640 118.700 0.120 0.000 2.120 296 N HA -0.219 4.521 4.740 0.000 0.000 0.188 296 N C 1.467 177.043 175.510 0.109 0.000 1.024 296 N CA 1.351 54.465 53.050 0.108 0.000 0.852 296 N CB -0.599 37.947 38.487 0.099 0.000 1.003 296 N HN 0.328 nan 8.380 nan 0.000 0.424 297 Y N 1.665 122.019 120.300 0.090 0.000 2.114 297 Y HA -0.057 4.493 4.550 0.000 0.000 0.284 297 Y C 2.206 178.189 175.900 0.138 0.000 1.143 297 Y CA 1.290 59.454 58.100 0.108 0.000 1.135 297 Y CB -0.444 38.078 38.460 0.105 0.000 0.980 297 Y HN -0.050 nan 8.280 nan 0.000 0.499 298 I N -0.043 120.583 120.570 0.093 0.000 2.118 298 I HA -0.384 3.786 4.170 0.000 0.000 0.241 298 I C 2.356 178.546 176.117 0.123 0.000 1.070 298 I CA 1.718 63.047 61.300 0.050 0.000 1.327 298 I CB -0.636 37.377 38.000 0.020 0.000 1.034 298 I HN 0.267 nan 8.210 nan 0.000 0.405 299 L N 0.551 121.868 121.223 0.157 0.000 2.131 299 L HA -0.181 4.159 4.340 0.000 0.000 0.210 299 L C 2.698 179.613 176.870 0.076 0.000 1.092 299 L CA 1.546 56.520 54.840 0.224 0.000 0.759 299 L CB -0.672 41.493 42.059 0.177 0.000 0.903 299 L HN 0.404 nan 8.230 nan 0.000 0.435 300 S N -1.486 114.188 115.700 -0.044 0.000 2.507 300 S HA -0.115 4.355 4.470 0.000 0.000 0.235 300 S C 1.703 176.234 174.600 -0.116 0.000 0.988 300 S CA 1.059 59.202 58.200 -0.095 0.000 0.944 300 S CB -0.617 62.501 63.200 -0.136 0.000 0.762 300 S HN 0.562 nan 8.310 nan 0.000 0.526 301 T N -1.901 112.589 114.554 -0.107 0.000 3.105 301 T HA 0.266 4.616 4.350 0.000 0.000 0.253 301 T C 0.357 175.049 174.700 -0.014 0.000 1.047 301 T CA -0.481 61.595 62.100 -0.041 0.000 0.944 301 T CB -0.248 68.609 68.868 -0.019 0.000 1.016 301 T HN 0.430 nan 8.240 nan 0.000 0.544 302 Q N 1.822 121.562 119.800 -0.100 0.000 2.332 302 Q HA 0.109 4.449 4.340 0.000 0.000 0.263 302 Q C -0.666 175.175 176.000 -0.264 0.000 0.979 302 Q CA -0.256 55.301 55.803 -0.410 0.000 0.885 302 Q CB 0.580 29.092 28.738 -0.376 0.000 1.218 302 Q HN 0.306 nan 8.270 nan 0.000 0.405 303 D N 3.470 123.689 120.400 -0.302 0.000 2.411 303 D HA 0.069 4.709 4.640 0.000 0.000 0.225 303 D C 0.372 176.548 176.300 -0.206 0.000 1.156 303 D CA -0.037 53.854 54.000 -0.181 0.000 0.874 303 D CB 0.584 41.302 40.800 -0.137 0.000 1.034 303 D HN 0.566 nan 8.370 nan 0.000 0.502 304 R N 2.557 122.959 120.500 -0.164 0.000 2.241 304 R HA -0.074 4.266 4.340 0.000 0.000 0.224 304 R C 1.563 177.775 176.300 -0.147 0.000 1.101 304 R CA 0.268 56.266 56.100 -0.170 0.000 0.995 304 R CB 0.343 30.570 30.300 -0.120 0.000 0.870 304 R HN 0.448 nan 8.270 nan 0.000 0.463 305 L N 0.540 121.698 121.223 -0.108 0.000 2.185 305 L HA -0.002 4.338 4.340 0.000 0.000 0.198 305 L C 2.079 178.902 176.870 -0.077 0.000 1.079 305 L CA 1.401 56.193 54.840 -0.081 0.000 0.780 305 L CB -0.371 41.659 42.059 -0.047 0.000 0.955 305 L HN 0.083 nan 8.230 nan 0.000 0.462 306 V N -1.846 118.035 119.914 -0.054 0.000 3.506 306 V HA 0.481 4.601 4.120 0.000 0.000 0.263 306 V C 0.944 177.062 176.094 0.039 0.000 1.203 306 V CA 0.536 62.839 62.300 0.004 0.000 1.133 306 V CB -0.397 31.462 31.823 0.059 0.000 0.802 306 V HN 0.607 nan 8.190 nan 0.000 0.459 307 G N -0.663 108.062 108.800 -0.125 0.000 2.685 307 G HA2 0.392 4.353 3.960 0.000 0.000 0.387 307 G HA3 0.392 4.353 3.960 0.000 0.000 0.387 307 G C 0.519 175.120 174.900 -0.498 0.000 1.324 307 G CA -0.297 44.643 45.100 -0.267 0.000 0.878 307 G HN 2.463 nan 8.290 nan 0.000 0.527 308 G N -2.204 106.198 108.800 -0.663 0.000 2.828 308 G HA2 0.354 4.314 3.960 0.000 0.000 0.463 308 G HA3 0.354 4.314 3.960 0.000 0.000 0.463 308 G C -0.423 173.992 174.900 -0.808 0.000 1.394 308 G CA 0.307 44.621 45.100 -1.309 0.000 0.862 308 G HN 1.809 nan 8.290 nan 0.000 0.540 309 F N 0.099 119.749 119.950 -0.500 0.000 2.577 309 F HA 0.821 5.348 4.527 0.000 0.000 0.318 309 F C 0.862 176.570 175.800 -0.155 0.000 1.065 309 F CA 0.081 57.934 58.000 -0.246 0.000 0.929 309 F CB 2.094 40.978 39.000 -0.194 0.000 1.237 309 F HN 0.967 nan 8.300 nan 0.000 0.468 310 A N 1.557 124.415 122.820 0.064 0.000 2.312 310 A HA 0.539 4.859 4.320 0.000 0.000 0.310 310 A C 0.831 178.313 177.584 -0.171 0.000 1.139 310 A CA -0.617 51.375 52.037 -0.076 0.000 0.886 310 A CB 1.175 20.148 19.000 -0.045 0.000 1.350 310 A HN 0.857 nan 8.150 nan 0.000 0.479 311 K N -1.089 118.980 120.400 -0.553 0.000 2.243 311 K HA 0.034 4.354 4.320 0.000 0.000 0.201 311 K C -0.560 175.849 176.600 -0.318 0.000 1.051 311 K CA 0.512 56.424 56.287 -0.625 0.000 0.970 311 K CB 0.128 31.877 32.500 -1.251 0.000 0.755 311 K HN 0.608 nan 8.250 nan 0.000 0.465 312 W N 1.961 123.318 121.300 0.094 0.000 2.962 312 W HA 0.396 5.056 4.660 0.000 0.000 0.341 312 W C -2.672 173.869 176.519 0.038 0.000 1.155 312 W CA -3.031 54.401 57.345 0.145 0.000 1.165 312 W CB 0.176 29.714 29.460 0.130 0.000 1.435 312 W HN -0.235 nan 8.180 nan 0.000 0.546 313 P HA 0.134 nan 4.420 nan 0.000 0.269 313 P C 0.277 177.649 177.300 0.121 0.000 1.209 313 P CA 1.232 64.391 63.100 0.099 0.000 0.776 313 P CB 0.226 31.956 31.700 0.050 0.000 0.876 314 D N -1.322 119.120 120.400 0.071 0.000 2.837 314 D HA -0.160 4.480 4.640 0.000 0.000 0.230 314 D C 0.170 176.522 176.300 0.087 0.000 1.152 314 D CA 1.283 55.323 54.000 0.067 0.000 0.736 314 D CB -1.938 38.894 40.800 0.053 0.000 1.084 314 D HN 0.565 nan 8.370 nan 0.000 0.429 315 S N -2.324 113.441 115.700 0.109 0.000 2.638 315 S HA 0.618 5.088 4.470 0.000 0.000 0.302 315 S C -0.378 174.305 174.600 0.138 0.000 1.096 315 S CA -0.395 57.868 58.200 0.105 0.000 0.953 315 S CB 1.231 64.544 63.200 0.187 0.000 1.107 315 S HN 0.534 nan 8.310 nan 0.000 0.503 316 H N 2.378 121.480 119.070 0.054 0.000 2.803 316 H HA 0.268 4.824 4.556 0.000 0.000 0.330 316 H C -1.893 173.449 175.328 0.024 0.000 1.057 316 H CA -1.449 54.630 56.048 0.052 0.000 1.458 316 H CB 0.701 30.514 29.762 0.084 0.000 1.470 316 H HN 0.440 nan 8.280 nan 0.000 0.560 317 P HA 0.086 nan 4.420 nan 0.000 0.279 317 P C -1.103 176.314 177.300 0.195 0.000 1.252 317 P CA -0.453 62.689 63.100 0.070 0.000 0.811 317 P CB 1.629 33.285 31.700 -0.073 0.000 1.035 318 D N -1.268 119.257 120.400 0.209 0.000 2.596 318 D HA 0.452 5.092 4.640 0.000 0.000 0.262 318 D C 0.861 177.374 176.300 0.356 0.000 1.210 318 D CA -0.967 53.231 54.000 0.330 0.000 0.873 318 D CB 0.376 41.340 40.800 0.274 0.000 1.408 318 D HN 0.181 nan 8.370 nan 0.000 0.441 319 A N 0.317 123.377 122.820 0.399 0.000 1.908 319 A HA -0.143 4.177 4.320 0.000 0.000 0.218 319 A C 2.010 179.585 177.584 -0.015 0.000 1.181 319 A CA 1.691 53.979 52.037 0.417 0.000 0.627 319 A CB -1.032 18.239 19.000 0.452 0.000 0.818 319 A HN 0.647 nan 8.150 nan 0.000 0.445 320 L N -1.437 119.619 121.223 -0.277 0.000 1.994 320 L HA -0.227 4.113 4.340 0.000 0.000 0.208 320 L C 2.481 179.137 176.870 -0.357 0.000 1.071 320 L CA 2.304 56.645 54.840 -0.832 0.000 0.745 320 L CB -0.386 41.473 42.059 -0.333 0.000 0.892 320 L HN 0.552 nan 8.230 nan 0.000 0.431 321 H N -0.710 118.316 119.070 -0.073 0.000 2.495 321 H HA 0.036 4.592 4.556 0.000 0.000 0.287 321 H C 2.116 177.400 175.328 -0.073 0.000 1.033 321 H CA 1.002 57.023 56.048 -0.046 0.000 1.307 321 H CB -0.121 29.615 29.762 -0.042 0.000 1.401 321 H HN 0.516 nan 8.280 nan 0.000 0.555 322 A N 0.201 123.052 122.820 0.052 0.000 1.873 322 A HA -0.206 4.114 4.320 0.000 0.000 0.215 322 A C 2.062 179.679 177.584 0.055 0.000 1.186 322 A CA 1.416 53.488 52.037 0.058 0.000 0.616 322 A CB -0.887 17.998 19.000 -0.192 0.000 0.823 322 A HN 0.506 nan 8.150 nan 0.000 0.442 323 Y N -0.540 119.700 120.300 -0.099 0.000 2.133 323 Y HA -0.173 4.377 4.550 0.000 0.000 0.287 323 Y C 1.932 177.460 175.900 -0.619 0.000 1.134 323 Y CA 1.762 59.651 58.100 -0.351 0.000 1.133 323 Y CB -0.568 37.507 38.460 -0.641 0.000 0.987 323 Y HN 0.275 nan 8.280 nan 0.000 0.502 324 F N -0.236 119.346 119.950 -0.614 0.000 2.234 324 F HA -0.025 4.502 4.527 0.000 0.000 0.299 324 F C 2.562 177.968 175.800 -0.658 0.000 1.087 324 F CA 1.084 58.609 58.000 -0.791 0.000 1.340 324 F CB -0.784 37.767 39.000 -0.748 0.000 1.031 324 F HN 0.141 nan 8.300 nan 0.000 0.500 325 G N 0.283 108.790 108.800 -0.488 0.000 2.402 325 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 325 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 325 G C 1.722 176.134 174.900 -0.814 0.000 1.162 325 G CA 0.759 45.412 45.100 -0.745 0.000 0.777 325 G HN 0.332 nan 8.290 nan 0.000 0.539 326 I N 0.329 120.457 120.570 -0.736 0.000 2.252 326 I HA -0.179 3.991 4.170 0.000 0.000 0.245 326 I C 2.685 178.495 176.117 -0.513 0.000 1.102 326 I CA 0.583 61.572 61.300 -0.519 0.000 1.385 326 I CB -0.155 37.702 38.000 -0.238 0.000 1.064 326 I HN 0.185 nan 8.210 nan 0.000 0.414 327 C N 0.706 119.607 119.300 -0.665 0.000 2.435 327 C HA -0.064 4.396 4.460 0.000 0.000 0.279 327 C C 2.898 177.720 174.990 -0.280 0.000 1.321 327 C CA 0.905 59.578 59.018 -0.576 0.000 1.752 327 C CB -1.709 25.413 27.740 -1.031 0.000 1.959 327 C HN 0.668 nan 8.230 nan 0.000 0.500 328 G N 0.273 108.905 108.800 -0.280 0.000 2.402 328 G HA2 -0.124 3.836 3.960 0.000 0.000 0.216 328 G HA3 -0.124 3.836 3.960 0.000 0.000 0.216 328 G C 1.413 176.169 174.900 -0.241 0.000 1.162 328 G CA 0.530 45.504 45.100 -0.209 0.000 0.777 328 G HN 0.338 nan 8.290 nan 0.000 0.539 329 L N 1.270 122.311 121.223 -0.303 0.000 2.046 329 L HA -0.001 4.339 4.340 0.000 0.000 0.208 329 L C 3.056 179.766 176.870 -0.267 0.000 1.077 329 L CA 1.877 56.540 54.840 -0.296 0.000 0.747 329 L CB -1.054 40.755 42.059 -0.418 0.000 0.896 329 L HN 0.329 nan 8.230 nan 0.000 0.432 330 S N -0.864 114.672 115.700 -0.272 0.000 2.400 330 S HA -0.175 4.295 4.470 0.000 0.000 0.232 330 S C 2.021 176.520 174.600 -0.168 0.000 1.025 330 S CA 0.840 58.916 58.200 -0.207 0.000 0.993 330 S CB -0.163 62.915 63.200 -0.203 0.000 0.808 330 S HN 0.250 nan 8.310 nan 0.000 0.478 331 L N 1.165 122.259 121.223 -0.215 0.000 2.127 331 L HA 0.116 4.456 4.340 0.000 0.000 0.211 331 L C 2.063 178.869 176.870 -0.105 0.000 1.089 331 L CA 1.735 56.413 54.840 -0.269 0.000 0.757 331 L CB -0.805 40.876 42.059 -0.630 0.000 0.899 331 L HN 0.488 nan 8.230 nan 0.000 0.434 332 M N -1.537 117.958 119.600 -0.174 0.000 2.419 332 M HA 0.108 4.588 4.480 0.000 0.000 0.252 332 M C -0.224 176.047 176.300 -0.047 0.000 1.143 332 M CA 0.004 55.142 55.300 -0.269 0.000 0.985 332 M CB 0.137 32.382 32.600 -0.592 0.000 1.489 332 M HN 0.056 nan 8.290 nan 0.000 0.484 333 E N 2.071 122.240 120.200 -0.051 0.000 2.302 333 E HA -0.180 4.170 4.350 0.000 0.000 0.186 333 E C -0.170 176.403 176.600 -0.046 0.000 1.444 333 E CA 0.184 56.566 56.400 -0.029 0.000 0.671 333 E CB -0.751 28.967 29.700 0.030 0.000 1.122 333 E HN 0.400 nan 8.360 nan 0.000 0.366 334 E N 0.762 120.893 120.200 -0.116 0.000 2.384 334 E HA 0.106 4.456 4.350 0.000 0.000 0.266 334 E C -0.365 176.178 176.600 -0.095 0.000 1.012 334 E CA 0.046 56.358 56.400 -0.147 0.000 0.901 334 E CB 0.971 30.477 29.700 -0.324 0.000 0.967 334 E HN 0.176 nan 8.360 nan 0.000 0.435 335 S N 3.378 119.055 115.700 -0.039 0.000 2.466 335 S HA 0.388 4.858 4.470 0.000 0.000 0.286 335 S C 0.804 175.426 174.600 0.037 0.000 1.221 335 S CA 0.790 58.997 58.200 0.011 0.000 1.091 335 S CB -0.706 62.518 63.200 0.040 0.000 0.956 335 S HN 0.915 nan 8.310 nan 0.000 0.501 336 G N 4.163 112.987 108.800 0.040 0.000 2.192 336 G HA2 -0.142 3.818 3.960 0.000 0.000 0.193 336 G HA3 -0.142 3.818 3.960 0.000 0.000 0.193 336 G C -0.119 174.829 174.900 0.079 0.000 0.999 336 G CA -0.093 45.065 45.100 0.096 0.000 0.659 336 G HN 0.722 nan 8.290 nan 0.000 0.503 337 I N 1.070 121.632 120.570 -0.014 0.000 2.499 337 I HA 0.336 4.506 4.170 0.000 0.000 0.288 337 I C 0.957 177.045 176.117 -0.047 0.000 1.048 337 I CA -1.195 60.078 61.300 -0.045 0.000 1.062 337 I CB 1.743 39.639 38.000 -0.174 0.000 1.238 337 I HN 0.092 nan 8.210 nan 0.000 0.426 338 C N 3.327 122.610 119.300 -0.028 0.000 2.775 338 C HA 0.057 4.517 4.460 0.000 0.000 0.391 338 C C 1.075 176.039 174.990 -0.043 0.000 1.295 338 C CA -0.634 58.370 59.018 -0.025 0.000 2.119 338 C CB -0.269 27.462 27.740 -0.015 0.000 2.705 338 C HN 0.640 nan 8.230 nan 0.000 0.710 339 K N 0.751 121.137 120.400 -0.023 0.000 2.298 339 K HA 0.367 4.687 4.320 0.000 0.000 0.280 339 K C -0.167 176.427 176.600 -0.010 0.000 1.032 339 K CA -0.316 55.957 56.287 -0.023 0.000 0.958 339 K CB 1.306 33.804 32.500 -0.003 0.000 0.978 339 K HN 0.575 nan 8.250 nan 0.000 0.472 340 V N 3.276 123.179 119.914 -0.018 0.000 2.539 340 V HA 0.230 4.350 4.120 0.000 0.000 0.292 340 V C -0.011 176.144 176.094 0.101 0.000 1.045 340 V CA -0.676 61.642 62.300 0.030 0.000 0.945 340 V CB 1.304 33.120 31.823 -0.011 0.000 0.993 340 V HN 0.940 nan 8.190 nan 0.000 0.464 341 H N 9.048 128.167 119.070 0.081 0.000 3.015 341 H HA 0.290 4.846 4.556 0.000 0.000 0.268 341 H C -1.723 173.720 175.328 0.190 0.000 1.113 341 H CA -1.619 54.494 56.048 0.107 0.000 1.479 341 H CB 1.628 31.453 29.762 0.105 0.000 1.493 341 H HN 0.562 nan 8.280 nan 0.000 0.486 342 P HA -0.135 nan 4.420 nan 0.000 0.221 342 P C 0.845 178.391 177.300 0.411 0.000 1.145 342 P CA 1.327 64.550 63.100 0.204 0.000 0.795 342 P CB 0.346 32.029 31.700 -0.030 0.000 0.775 343 A N -1.158 121.911 122.820 0.415 0.000 2.014 343 A HA 0.111 4.431 4.320 0.000 0.000 0.210 343 A C 1.995 179.902 177.584 0.538 0.000 1.188 343 A CA 0.328 52.622 52.037 0.427 0.000 0.731 343 A CB -0.945 18.198 19.000 0.239 0.000 0.858 343 A HN 0.122 nan 8.150 nan 0.000 0.464 344 L N -0.687 120.864 121.223 0.546 0.000 2.477 344 L HA 0.217 4.557 4.340 0.000 0.000 0.220 344 L C 0.611 177.751 176.870 0.450 0.000 1.106 344 L CA 1.122 56.105 54.840 0.238 0.000 0.851 344 L CB -0.661 41.249 42.059 -0.248 0.000 0.994 344 L HN 0.574 nan 8.230 nan 0.000 0.462 345 N N -0.613 118.420 118.700 0.555 0.000 2.783 345 N HA -0.166 4.574 4.740 0.000 0.000 0.247 345 N C -0.718 175.030 175.510 0.398 0.000 1.089 345 N CA 0.921 54.273 53.050 0.503 0.000 0.690 345 N CB -1.188 37.699 38.487 0.666 0.000 0.991 345 N HN 0.238 nan 8.380 nan 0.000 0.552 346 V N -3.553 116.527 119.914 0.277 0.000 3.181 346 V HA 0.853 4.973 4.120 0.000 0.000 0.308 346 V C 0.592 176.759 176.094 0.121 0.000 1.214 346 V CA -0.424 61.979 62.300 0.173 0.000 1.053 346 V CB 1.443 33.343 31.823 0.129 0.000 1.069 346 V HN 0.468 nan 8.190 nan 0.000 0.441 347 S N 0.061 115.793 115.700 0.054 0.000 2.579 347 S HA 0.171 4.641 4.470 0.000 0.000 0.275 347 S C 1.373 176.020 174.600 0.078 0.000 1.345 347 S CA 0.393 58.618 58.200 0.041 0.000 1.031 347 S CB 0.857 64.058 63.200 0.002 0.000 0.892 347 S HN 1.769 nan 8.310 nan 0.000 0.529 348 T N -0.194 114.413 114.554 0.088 0.000 2.788 348 T HA -0.213 4.137 4.350 0.000 0.000 0.268 348 T C 1.776 176.516 174.700 0.067 0.000 1.044 348 T CA 1.165 63.334 62.100 0.114 0.000 1.139 348 T CB -0.502 68.418 68.868 0.086 0.000 0.867 348 T HN 0.724 nan 8.240 nan 0.000 0.454 349 R N 1.064 121.585 120.500 0.036 0.000 2.091 349 R HA -0.133 4.207 4.340 0.000 0.000 0.238 349 R C 2.287 178.589 176.300 0.003 0.000 1.136 349 R CA 1.998 58.107 56.100 0.015 0.000 0.959 349 R CB -0.926 29.377 30.300 0.006 0.000 0.856 349 R HN 0.429 nan 8.270 nan 0.000 0.437 350 T N 0.275 114.831 114.554 0.003 0.000 2.857 350 T HA -0.106 4.244 4.350 0.000 0.000 0.266 350 T C 1.844 176.526 174.700 -0.030 0.000 1.048 350 T CA 1.560 63.650 62.100 -0.016 0.000 1.139 350 T CB -0.146 68.715 68.868 -0.011 0.000 0.874 350 T HN 0.541 nan 8.240 nan 0.000 0.455 351 S N 1.401 117.097 115.700 -0.007 0.000 2.402 351 S HA -0.090 4.380 4.470 0.000 0.000 0.229 351 S C 2.097 176.680 174.600 -0.028 0.000 1.021 351 S CA 0.909 59.088 58.200 -0.034 0.000 0.974 351 S CB -0.349 62.847 63.200 -0.006 0.000 0.800 351 S HN 0.411 nan 8.310 nan 0.000 0.484 352 E N 1.183 121.383 120.200 -0.001 0.000 2.072 352 E HA -0.006 4.344 4.350 0.000 0.000 0.191 352 E C 2.207 178.768 176.600 -0.065 0.000 0.985 352 E CA 1.020 57.411 56.400 -0.015 0.000 0.801 352 E CB -0.503 29.200 29.700 0.005 0.000 0.750 352 E HN 0.700 nan 8.360 nan 0.000 0.452 353 R N -0.148 120.311 120.500 -0.069 0.000 2.120 353 R HA -0.096 4.244 4.340 0.000 0.000 0.234 353 R C 2.466 178.664 176.300 -0.171 0.000 1.123 353 R CA 1.323 57.368 56.100 -0.093 0.000 0.975 353 R CB -0.402 29.859 30.300 -0.066 0.000 0.866 353 R HN 0.278 nan 8.270 nan 0.000 0.446 354 L N 1.137 122.234 121.223 -0.210 0.000 2.093 354 L HA -0.154 4.186 4.340 0.000 0.000 0.208 354 L C 2.793 179.309 176.870 -0.590 0.000 1.085 354 L CA 2.363 56.968 54.840 -0.391 0.000 0.755 354 L CB -0.773 41.086 42.059 -0.334 0.000 0.904 354 L HN 0.115 nan 8.230 nan 0.000 0.435 355 R N -0.222 120.064 120.500 -0.356 0.000 2.070 355 R HA -0.181 4.159 4.340 0.000 0.000 0.233 355 R C 1.932 178.087 176.300 -0.241 0.000 1.137 355 R CA 1.964 57.900 56.100 -0.273 0.000 0.945 355 R CB -1.948 28.290 30.300 -0.104 0.000 0.845 355 R HN 0.584 nan 8.270 nan 0.000 0.430 356 D N 0.852 121.136 120.400 -0.193 0.000 2.106 356 D HA -0.149 4.491 4.640 0.000 0.000 0.191 356 D C 2.091 178.251 176.300 -0.233 0.000 0.997 356 D CA 1.433 55.341 54.000 -0.153 0.000 0.834 356 D CB -0.446 40.290 40.800 -0.107 0.000 0.956 356 D HN 0.373 nan 8.370 nan 0.000 0.448 357 L N 0.258 121.270 121.223 -0.352 0.000 2.013 357 L HA -0.251 4.089 4.340 0.000 0.000 0.212 357 L C 2.495 178.797 176.870 -0.948 0.000 1.073 357 L CA 1.546 56.042 54.840 -0.574 0.000 0.753 357 L CB -0.344 41.358 42.059 -0.595 0.000 0.890 357 L HN 0.245 nan 8.230 nan 0.000 0.432 358 H N -1.671 116.886 119.070 -0.854 0.000 2.353 358 H HA -0.215 4.341 4.556 0.000 0.000 0.300 358 H C 2.478 177.617 175.328 -0.315 0.000 1.090 358 H CA 1.087 56.720 56.048 -0.691 0.000 1.327 358 H CB 0.043 29.555 29.762 -0.416 0.000 1.383 358 H HN 0.493 nan 8.280 nan 0.000 0.508 359 Q N 1.117 120.861 119.800 -0.094 0.000 2.002 359 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 359 Q C 2.511 178.512 176.000 0.001 0.000 0.988 359 Q CA 2.068 57.854 55.803 -0.028 0.000 0.843 359 Q CB -1.256 27.462 28.738 -0.032 0.000 0.908 359 Q HN 0.646 nan 8.270 nan 0.000 0.420 360 S N -0.991 114.686 115.700 -0.037 0.000 2.420 360 S HA -0.180 4.290 4.470 0.000 0.000 0.237 360 S C 1.806 176.532 174.600 0.210 0.000 1.023 360 S CA 1.499 59.732 58.200 0.055 0.000 0.991 360 S CB -0.613 62.612 63.200 0.042 0.000 0.792 360 S HN 0.765 nan 8.310 nan 0.000 0.488 361 W N 2.261 123.582 121.300 0.036 0.000 2.409 361 W HA 0.285 4.945 4.660 0.000 0.000 0.299 361 W C 1.931 178.454 176.519 0.007 0.000 1.203 361 W CA 0.324 57.681 57.345 0.019 0.000 1.298 361 W CB -1.137 28.331 29.460 0.014 0.000 1.127 361 W HN 0.487 nan 8.180 nan 0.000 0.528 362 K N 1.966 122.507 120.400 0.233 0.000 2.081 362 K HA 0.399 4.719 4.320 0.000 0.000 0.230 362 K C 0.193 176.850 176.600 0.093 0.000 1.199 362 K CA 0.863 57.228 56.287 0.130 0.000 1.130 362 K CB -1.399 31.154 32.500 0.089 0.000 1.386 362 K HN 0.260 nan 8.250 nan 0.000 0.280 363 T N 0.000 114.607 114.554 0.088 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.138 62.100 0.063 0.000 1.349 363 T CB 0.000 68.908 68.868 0.067 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658