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 1n4q_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 0.000 176.916 176.870 0.076 0.000 1.165 18 L CA 0.000 54.869 54.840 0.049 0.000 0.813 18 L CB 0.000 42.075 42.059 0.027 0.000 0.961 19 D N 0.009 120.455 120.400 0.077 0.000 2.374 19 D HA 0.364 5.004 4.640 0.000 0.000 0.239 19 D C -0.965 175.444 176.300 0.182 0.000 0.991 19 D CA -0.366 53.704 54.000 0.117 0.000 0.960 19 D CB 2.041 42.883 40.800 0.071 0.000 1.284 19 D HN 0.097 nan 8.370 nan 0.000 0.512 20 F N 0.932 120.922 119.950 0.066 0.000 2.413 20 F HA 0.247 4.774 4.527 0.000 0.000 0.359 20 F C -0.361 175.478 175.800 0.065 0.000 1.122 20 F CA -1.158 56.913 58.000 0.119 0.000 1.160 20 F CB 0.389 39.474 39.000 0.140 0.000 1.146 20 F HN 0.109 nan 8.300 nan 0.000 0.514 21 L N 7.956 128.916 121.223 -0.439 0.000 2.437 21 L HA 0.190 4.531 4.340 0.000 0.000 0.243 21 L C 1.914 178.263 176.870 -0.869 0.000 1.346 21 L CA 0.417 54.910 54.840 -0.579 0.000 1.233 21 L CB -1.167 40.548 42.059 -0.573 0.000 1.436 21 L HN 0.701 nan 8.230 nan 0.000 0.416 22 R N 0.470 120.483 120.500 -0.812 0.000 2.133 22 R HA -0.221 4.119 4.340 0.000 0.000 0.245 22 R C 1.189 177.321 176.300 -0.281 0.000 1.137 22 R CA 2.209 57.973 56.100 -0.561 0.000 0.947 22 R CB 0.164 30.392 30.300 -0.121 0.000 0.865 22 R HN 0.481 nan 8.270 nan 0.000 0.437 23 D N -0.401 119.861 120.400 -0.230 0.000 2.144 23 D HA -0.140 4.500 4.640 0.000 0.000 0.200 23 D C 2.032 178.214 176.300 -0.196 0.000 0.978 23 D CA 0.958 54.869 54.000 -0.148 0.000 0.833 23 D CB -0.203 40.528 40.800 -0.114 0.000 0.961 23 D HN 0.188 nan 8.370 nan 0.000 0.470 24 R N 0.127 120.419 120.500 -0.346 0.000 2.091 24 R HA -0.122 4.218 4.340 0.000 0.000 0.238 24 R C 2.214 178.295 176.300 -0.365 0.000 1.136 24 R CA 1.213 57.082 56.100 -0.385 0.000 0.959 24 R CB -0.216 29.756 30.300 -0.546 0.000 0.856 24 R HN 0.315 nan 8.270 nan 0.000 0.437 25 H N -0.939 117.970 119.070 -0.268 0.000 2.423 25 H HA -0.027 4.529 4.556 0.000 0.000 0.297 25 H C 2.084 177.333 175.328 -0.131 0.000 1.075 25 H CA 1.441 57.312 56.048 -0.295 0.000 1.342 25 H CB -0.301 29.303 29.762 -0.264 0.000 1.395 25 H HN 0.059 nan 8.280 nan 0.000 0.530 26 V N 1.232 121.197 119.914 0.085 0.000 2.343 26 V HA -0.246 3.874 4.120 0.000 0.000 0.247 26 V C 2.601 178.766 176.094 0.118 0.000 1.051 26 V CA 1.671 64.073 62.300 0.169 0.000 1.036 26 V CB -0.345 31.536 31.823 0.097 0.000 0.654 26 V HN 0.318 nan 8.190 nan 0.000 0.451 27 R N -1.172 119.344 120.500 0.026 0.000 2.081 27 R HA -0.155 4.185 4.340 0.000 0.000 0.235 27 R C 2.251 178.554 176.300 0.004 0.000 1.131 27 R CA 1.891 57.991 56.100 -0.000 0.000 0.960 27 R CB -0.523 29.751 30.300 -0.044 0.000 0.856 27 R HN 0.535 nan 8.270 nan 0.000 0.436 28 F N 0.747 120.597 119.950 -0.168 0.000 2.091 28 F HA -0.259 4.268 4.527 0.000 0.000 0.299 28 F C 1.743 177.455 175.800 -0.147 0.000 1.103 28 F CA 1.671 59.540 58.000 -0.217 0.000 1.228 28 F CB -0.318 38.474 39.000 -0.348 0.000 0.984 28 F HN -0.078 nan 8.300 nan 0.000 0.477 29 F N 0.314 120.408 119.950 0.239 0.000 2.234 29 F HA -0.216 4.311 4.527 0.000 0.000 0.299 29 F C 2.506 178.276 175.800 -0.051 0.000 1.087 29 F CA 1.043 59.103 58.000 0.100 0.000 1.340 29 F CB -0.526 38.551 39.000 0.128 0.000 1.031 29 F HN 0.056 nan 8.300 nan 0.000 0.500 30 Q N 0.075 119.947 119.800 0.120 0.000 2.084 30 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 30 Q C 2.230 178.185 176.000 -0.074 0.000 0.978 30 Q CA 1.270 57.080 55.803 0.013 0.000 0.844 30 Q CB -0.298 28.438 28.738 -0.003 0.000 0.898 30 Q HN 0.376 nan 8.270 nan 0.000 0.426 31 R N 0.069 120.487 120.500 -0.136 0.000 2.081 31 R HA -0.131 4.209 4.340 0.000 0.000 0.235 31 R C 2.487 178.638 176.300 -0.247 0.000 1.131 31 R CA 1.645 57.618 56.100 -0.212 0.000 0.960 31 R CB -0.396 29.730 30.300 -0.291 0.000 0.856 31 R HN 0.294 nan 8.270 nan 0.000 0.436 32 C N 0.169 119.303 119.300 -0.278 0.000 2.413 32 C HA -0.080 4.380 4.460 0.000 0.000 0.276 32 C C 2.259 177.150 174.990 -0.165 0.000 1.248 32 C CA 0.355 59.233 59.018 -0.233 0.000 1.742 32 C CB -0.814 26.857 27.740 -0.115 0.000 2.017 32 C HN 0.413 nan 8.230 nan 0.000 0.481 33 L N 0.482 121.627 121.223 -0.130 0.000 2.275 33 L HA -0.069 4.271 4.340 0.000 0.000 0.215 33 L C 2.333 179.085 176.870 -0.197 0.000 1.119 33 L CA 1.560 56.302 54.840 -0.163 0.000 0.790 33 L CB -1.485 40.495 42.059 -0.132 0.000 0.919 33 L HN 0.531 nan 8.230 nan 0.000 0.443 34 Q N -1.398 118.299 119.800 -0.171 0.000 1.940 34 Q HA 0.088 4.428 4.340 0.000 0.000 0.200 34 Q C -0.089 175.812 176.000 -0.164 0.000 0.977 34 Q CA 0.748 56.454 55.803 -0.162 0.000 0.841 34 Q CB 0.393 29.050 28.738 -0.136 0.000 0.901 34 Q HN 0.155 nan 8.270 nan 0.000 0.446 35 V N 0.537 120.354 119.914 -0.161 0.000 2.888 35 V HA 0.386 4.506 4.120 0.000 0.000 0.309 35 V C -1.200 174.787 176.094 -0.178 0.000 1.114 35 V CA -0.680 61.534 62.300 -0.144 0.000 0.940 35 V CB 2.131 33.888 31.823 -0.109 0.000 1.021 35 V HN 0.211 nan 8.190 nan 0.000 0.426 36 L N 4.237 125.366 121.223 -0.157 0.000 2.346 36 L HA 0.618 4.958 4.340 0.000 0.000 0.274 36 L C -2.420 174.403 176.870 -0.078 0.000 1.007 36 L CA -1.772 52.930 54.840 -0.229 0.000 0.818 36 L CB 2.183 44.109 42.059 -0.221 0.000 1.284 36 L HN 0.441 nan 8.230 nan 0.000 0.424 37 P HA 0.158 nan 4.420 nan 0.000 0.271 37 P C 0.737 178.209 177.300 0.286 0.000 1.218 37 P CA -0.124 63.083 63.100 0.178 0.000 0.780 37 P CB 0.673 32.550 31.700 0.296 0.000 0.901 38 E N 3.003 123.294 120.200 0.151 0.000 2.301 38 E HA -0.286 4.064 4.350 0.000 0.000 0.202 38 E C 1.503 178.163 176.600 0.099 0.000 1.017 38 E CA 1.763 58.229 56.400 0.110 0.000 0.831 38 E CB -1.029 28.709 29.700 0.063 0.000 0.742 38 E HN 0.683 nan 8.360 nan 0.000 0.491 39 R N -1.201 119.351 120.500 0.087 0.000 2.328 39 R HA 0.089 4.429 4.340 0.000 0.000 0.200 39 R C 0.280 176.368 176.300 -0.352 0.000 0.983 39 R CA 0.648 56.672 56.100 -0.127 0.000 1.062 39 R CB -0.326 29.846 30.300 -0.213 0.000 0.956 39 R HN 0.501 nan 8.270 nan 0.000 0.479 40 Y N 0.793 121.112 120.300 0.033 0.000 2.660 40 Y HA 0.169 4.719 4.550 0.000 0.000 0.254 40 Y C 1.926 177.848 175.900 0.037 0.000 1.176 40 Y CA -0.241 57.885 58.100 0.042 0.000 1.195 40 Y CB 0.801 39.285 38.460 0.039 0.000 1.190 40 Y HN 0.174 nan 8.280 nan 0.000 0.535 41 S N -0.626 115.139 115.700 0.108 0.000 2.400 41 S HA -0.239 4.231 4.470 0.000 0.000 0.232 41 S C 2.020 176.650 174.600 0.050 0.000 1.025 41 S CA 1.490 59.735 58.200 0.076 0.000 0.993 41 S CB -0.794 62.435 63.200 0.049 0.000 0.808 41 S HN 0.476 nan 8.310 nan 0.000 0.478 42 S N 1.327 117.050 115.700 0.039 0.000 2.595 42 S HA 0.176 4.646 4.470 0.000 0.000 0.235 42 S C 1.351 175.975 174.600 0.041 0.000 0.974 42 S CA 0.503 58.719 58.200 0.028 0.000 0.942 42 S CB -0.679 62.535 63.200 0.024 0.000 0.766 42 S HN 0.588 nan 8.310 nan 0.000 0.536 43 L N 0.356 121.624 121.223 0.074 0.000 2.693 43 L HA 0.317 4.657 4.340 0.000 0.000 0.235 43 L C 2.313 179.210 176.870 0.046 0.000 1.127 43 L CA 0.141 55.031 54.840 0.083 0.000 0.914 43 L CB -0.148 42.004 42.059 0.156 0.000 1.193 43 L HN 0.204 nan 8.230 nan 0.000 0.502 44 E N 1.477 121.692 120.200 0.025 0.000 2.086 44 E HA -0.288 4.062 4.350 0.000 0.000 0.205 44 E C 1.999 178.566 176.600 -0.055 0.000 1.027 44 E CA 2.593 58.999 56.400 0.010 0.000 0.830 44 E CB -0.242 29.452 29.700 -0.009 0.000 0.751 44 E HN 0.431 nan 8.360 nan 0.000 0.456 45 T N -2.388 112.041 114.554 -0.208 0.000 3.163 45 T HA -0.001 4.349 4.350 0.000 0.000 0.260 45 T C 1.140 175.740 174.700 -0.166 0.000 1.156 45 T CA 0.760 62.657 62.100 -0.338 0.000 1.072 45 T CB -0.351 68.185 68.868 -0.554 0.000 0.937 45 T HN 0.163 nan 8.240 nan 0.000 0.528 46 S N -0.562 115.087 115.700 -0.086 0.000 2.835 46 S HA 0.407 4.877 4.470 0.000 0.000 0.248 46 S C 1.139 175.740 174.600 0.003 0.000 1.070 46 S CA -0.962 57.193 58.200 -0.075 0.000 1.090 46 S CB 0.145 63.301 63.200 -0.072 0.000 0.978 46 S HN 0.333 nan 8.310 nan 0.000 0.510 47 R N 0.095 120.636 120.500 0.068 0.000 2.120 47 R HA 0.058 4.398 4.340 0.000 0.000 0.234 47 R C 1.912 178.323 176.300 0.184 0.000 1.123 47 R CA 1.164 57.352 56.100 0.147 0.000 0.975 47 R CB -0.416 30.029 30.300 0.243 0.000 0.866 47 R HN 0.415 nan 8.270 nan 0.000 0.446 48 L N 0.933 122.242 121.223 0.143 0.000 2.131 48 L HA -0.148 4.192 4.340 0.000 0.000 0.210 48 L C 2.276 179.117 176.870 -0.048 0.000 1.092 48 L CA 2.214 57.111 54.840 0.095 0.000 0.759 48 L CB -0.763 41.253 42.059 -0.071 0.000 0.903 48 L HN 0.272 nan 8.230 nan 0.000 0.435 49 T N -3.706 110.762 114.554 -0.145 0.000 2.985 49 T HA -0.065 4.285 4.350 0.000 0.000 0.266 49 T C 1.915 176.337 174.700 -0.464 0.000 1.076 49 T CA 0.839 62.727 62.100 -0.353 0.000 1.135 49 T CB -0.375 68.273 68.868 -0.368 0.000 0.890 49 T HN 0.180 nan 8.240 nan 0.000 0.480 50 I N 2.253 122.732 120.570 -0.152 0.000 2.353 50 I HA 0.081 4.251 4.170 0.000 0.000 0.248 50 I C 3.096 179.203 176.117 -0.017 0.000 1.119 50 I CA 0.975 62.282 61.300 0.013 0.000 1.417 50 I CB -1.747 36.314 38.000 0.101 0.000 1.078 50 I HN 0.383 nan 8.210 nan 0.000 0.421 51 A N 0.915 123.723 122.820 -0.019 0.000 1.902 51 A HA -0.266 4.054 4.320 0.000 0.000 0.217 51 A C 2.305 179.812 177.584 -0.128 0.000 1.181 51 A CA 1.480 53.497 52.037 -0.033 0.000 0.623 51 A CB -1.125 17.945 19.000 0.116 0.000 0.818 51 A HN 0.389 nan 8.150 nan 0.000 0.443 52 F N 0.024 119.785 119.950 -0.315 0.000 2.095 52 F HA -0.206 4.321 4.527 0.000 0.000 0.298 52 F C 1.984 177.465 175.800 -0.531 0.000 1.104 52 F CA 1.771 59.498 58.000 -0.455 0.000 1.232 52 F CB -0.602 38.034 39.000 -0.605 0.000 0.987 52 F HN 0.256 nan 8.300 nan 0.000 0.475 53 F N 0.295 119.822 119.950 -0.705 0.000 2.126 53 F HA -0.257 4.270 4.527 0.000 0.000 0.299 53 F C 2.609 177.871 175.800 -0.896 0.000 1.096 53 F CA 0.654 58.066 58.000 -0.979 0.000 1.255 53 F CB -0.845 37.950 39.000 -0.343 0.000 0.997 53 F HN 0.177 nan 8.300 nan 0.000 0.479 54 A N 0.469 123.080 122.820 -0.348 0.000 1.854 54 A HA -0.083 4.237 4.320 0.000 0.000 0.214 54 A C 2.141 179.396 177.584 -0.549 0.000 1.192 54 A CA 1.062 52.867 52.037 -0.385 0.000 0.611 54 A CB -0.983 17.982 19.000 -0.058 0.000 0.832 54 A HN 0.313 nan 8.150 nan 0.000 0.442 55 L N -0.761 120.210 121.223 -0.420 0.000 1.994 55 L HA -0.166 4.174 4.340 0.000 0.000 0.208 55 L C 2.911 179.517 176.870 -0.441 0.000 1.071 55 L CA 1.690 56.323 54.840 -0.345 0.000 0.745 55 L CB -0.613 41.299 42.059 -0.246 0.000 0.892 55 L HN 0.478 nan 8.230 nan 0.000 0.431 56 S N -0.102 115.190 115.700 -0.680 0.000 2.400 56 S HA -0.140 4.330 4.470 0.000 0.000 0.232 56 S C 1.928 176.285 174.600 -0.404 0.000 1.025 56 S CA 1.345 59.167 58.200 -0.630 0.000 0.993 56 S CB -0.399 62.047 63.200 -1.257 0.000 0.808 56 S HN 0.548 nan 8.310 nan 0.000 0.478 57 G N 1.123 109.536 108.800 -0.644 0.000 2.402 57 G HA2 -0.042 3.918 3.960 0.000 0.000 0.216 57 G HA3 -0.042 3.918 3.960 0.000 0.000 0.216 57 G C 1.400 176.044 174.900 -0.427 0.000 1.162 57 G CA 0.636 45.335 45.100 -0.668 0.000 0.777 57 G HN 0.509 nan 8.290 nan 0.000 0.539 58 L N 0.338 121.317 121.223 -0.406 0.000 2.093 58 L HA -0.043 4.297 4.340 0.000 0.000 0.208 58 L C 2.580 179.415 176.870 -0.059 0.000 1.085 58 L CA 1.205 55.990 54.840 -0.092 0.000 0.755 58 L CB -0.300 41.719 42.059 -0.067 0.000 0.904 58 L HN 0.165 nan 8.230 nan 0.000 0.435 59 D N 0.226 120.556 120.400 -0.116 0.000 2.104 59 D HA -0.262 4.378 4.640 0.000 0.000 0.194 59 D C 2.141 178.419 176.300 -0.037 0.000 0.994 59 D CA 1.509 55.467 54.000 -0.070 0.000 0.830 59 D CB 0.042 40.785 40.800 -0.095 0.000 0.959 59 D HN 0.033 nan 8.370 nan 0.000 0.452 60 M N -0.345 119.225 119.600 -0.051 0.000 2.267 60 M HA 0.002 4.482 4.480 0.000 0.000 0.263 60 M C 1.537 177.850 176.300 0.021 0.000 1.063 60 M CA 1.047 56.328 55.300 -0.032 0.000 1.090 60 M CB -0.044 32.508 32.600 -0.081 0.000 1.392 60 M HN 0.079 nan 8.290 nan 0.000 0.422 61 L N -1.327 119.935 121.223 0.066 0.000 2.667 61 L HA 0.130 4.470 4.340 0.000 0.000 0.232 61 L C 0.106 177.030 176.870 0.090 0.000 1.138 61 L CA -0.239 54.680 54.840 0.132 0.000 0.921 61 L CB -0.386 41.808 42.059 0.224 0.000 1.180 61 L HN 0.225 nan 8.230 nan 0.000 0.487 62 D N 0.620 121.049 120.400 0.049 0.000 2.737 62 D HA -0.204 4.436 4.640 0.000 0.000 0.238 62 D C 0.233 176.557 176.300 0.040 0.000 1.157 62 D CA 0.707 54.728 54.000 0.035 0.000 0.694 62 D CB -0.651 40.172 40.800 0.038 0.000 1.021 62 D HN 0.219 nan 8.370 nan 0.000 0.420 63 S N 0.065 115.787 115.700 0.036 0.000 3.031 63 S HA 0.176 4.646 4.470 0.000 0.000 0.253 63 S C 1.528 176.139 174.600 0.018 0.000 0.996 63 S CA -0.587 57.635 58.200 0.037 0.000 1.098 63 S CB 0.225 63.464 63.200 0.066 0.000 1.042 63 S HN 0.407 nan 8.310 nan 0.000 0.593 64 L N 2.328 123.552 121.223 0.001 0.000 2.450 64 L HA -0.142 4.198 4.340 0.000 0.000 0.224 64 L C 2.275 179.142 176.870 -0.004 0.000 1.149 64 L CA 1.231 56.063 54.840 -0.012 0.000 0.816 64 L CB -0.317 41.730 42.059 -0.021 0.000 0.932 64 L HN 0.517 nan 8.230 nan 0.000 0.449 65 D N 0.088 120.490 120.400 0.003 0.000 2.178 65 D HA -0.158 4.482 4.640 0.000 0.000 0.202 65 D C 1.799 178.101 176.300 0.002 0.000 0.974 65 D CA 1.486 55.488 54.000 0.004 0.000 0.841 65 D CB -0.472 40.332 40.800 0.007 0.000 0.953 65 D HN 0.387 nan 8.370 nan 0.000 0.478 66 V N -0.300 119.616 119.914 0.004 0.000 3.488 66 V HA 0.056 4.177 4.120 0.000 0.000 0.273 66 V C 0.877 176.966 176.094 -0.008 0.000 1.209 66 V CA 0.361 62.661 62.300 0.001 0.000 1.179 66 V CB -1.346 30.482 31.823 0.009 0.000 0.842 66 V HN 0.230 nan 8.190 nan 0.000 0.515 67 V N -2.308 117.600 119.914 -0.010 0.000 3.001 67 V HA 0.612 4.732 4.120 0.000 0.000 0.314 67 V C -0.260 175.828 176.094 -0.011 0.000 1.099 67 V CA -0.973 61.315 62.300 -0.019 0.000 0.989 67 V CB 1.911 33.717 31.823 -0.028 0.000 1.040 67 V HN 0.252 nan 8.190 nan 0.000 0.434 68 N N 2.143 120.836 118.700 -0.011 0.000 2.602 68 N HA 0.251 4.991 4.740 0.000 0.000 0.238 68 N C 0.855 176.376 175.510 0.017 0.000 1.084 68 N CA -0.061 52.990 53.050 0.003 0.000 0.952 68 N CB 0.827 39.315 38.487 0.002 0.000 1.244 68 N HN 0.815 nan 8.380 nan 0.000 0.512 69 K N 1.270 121.683 120.400 0.021 0.000 2.173 69 K HA -0.163 4.157 4.320 0.000 0.000 0.207 69 K C 0.653 177.290 176.600 0.062 0.000 1.046 69 K CA 1.340 57.647 56.287 0.034 0.000 0.929 69 K CB 0.291 32.808 32.500 0.029 0.000 0.720 69 K HN 0.533 nan 8.250 nan 0.000 0.453 70 D N 0.909 121.347 120.400 0.064 0.000 2.149 70 D HA -0.115 4.525 4.640 0.000 0.000 0.201 70 D C 1.442 177.813 176.300 0.117 0.000 0.972 70 D CA 1.010 55.063 54.000 0.089 0.000 0.835 70 D CB -0.081 40.763 40.800 0.072 0.000 0.966 70 D HN 0.197 nan 8.370 nan 0.000 0.476 71 D N 1.157 121.615 120.400 0.096 0.000 2.084 71 D HA -0.089 4.551 4.640 0.000 0.000 0.194 71 D C 2.371 178.780 176.300 0.181 0.000 0.990 71 D CA 0.479 54.550 54.000 0.118 0.000 0.826 71 D CB -0.334 40.499 40.800 0.055 0.000 0.971 71 D HN 0.272 nan 8.370 nan 0.000 0.453 72 I N 0.934 121.586 120.570 0.137 0.000 2.264 72 I HA -0.227 3.943 4.170 0.000 0.000 0.248 72 I C 2.453 178.732 176.117 0.270 0.000 1.111 72 I CA 0.728 62.144 61.300 0.194 0.000 1.382 72 I CB -0.196 37.860 38.000 0.093 0.000 1.060 72 I HN -0.034 nan 8.210 nan 0.000 0.418 73 I N 0.415 121.102 120.570 0.195 0.000 2.286 73 I HA -0.235 3.935 4.170 0.000 0.000 0.248 73 I C 2.528 178.813 176.117 0.279 0.000 1.115 73 I CA 1.153 62.566 61.300 0.188 0.000 1.392 73 I CB -0.367 37.749 38.000 0.193 0.000 1.065 73 I HN 0.237 nan 8.210 nan 0.000 0.418 74 E N -0.075 120.310 120.200 0.307 0.000 2.106 74 E HA -0.253 4.097 4.350 0.000 0.000 0.192 74 E C 1.724 178.528 176.600 0.341 0.000 0.984 74 E CA 1.131 57.728 56.400 0.328 0.000 0.806 74 E CB -0.437 29.466 29.700 0.338 0.000 0.750 74 E HN 0.602 nan 8.360 nan 0.000 0.458 75 W N 1.848 123.288 121.300 0.235 0.000 2.355 75 W HA -0.131 4.529 4.660 0.000 0.000 0.309 75 W C 1.982 178.570 176.519 0.116 0.000 1.206 75 W CA 1.431 58.923 57.345 0.245 0.000 1.284 75 W CB -0.438 29.134 29.460 0.187 0.000 1.145 75 W HN -0.063 nan 8.180 nan 0.000 0.502 76 I N -0.622 119.963 120.570 0.025 0.000 2.226 76 I HA -0.360 3.810 4.170 0.000 0.000 0.245 76 I C 2.068 178.088 176.117 -0.162 0.000 1.100 76 I CA 1.411 62.560 61.300 -0.252 0.000 1.374 76 I CB -0.894 37.001 38.000 -0.176 0.000 1.057 76 I HN -0.068 nan 8.210 nan 0.000 0.413 77 Y N 1.130 121.426 120.300 -0.007 0.000 2.421 77 Y HA -0.195 4.355 4.550 0.000 0.000 0.292 77 Y C 2.916 178.671 175.900 -0.241 0.000 1.136 77 Y CA 1.281 59.355 58.100 -0.044 0.000 1.255 77 Y CB -0.584 37.855 38.460 -0.034 0.000 0.991 77 Y HN 0.267 nan 8.280 nan 0.000 0.552 78 S N -1.027 114.536 115.700 -0.228 0.000 2.515 78 S HA -0.058 4.412 4.470 0.000 0.000 0.231 78 S C 1.523 175.905 174.600 -0.363 0.000 0.987 78 S CA 0.628 58.555 58.200 -0.455 0.000 0.936 78 S CB -0.617 62.079 63.200 -0.841 0.000 0.766 78 S HN 0.483 nan 8.310 nan 0.000 0.528 79 L N 0.515 121.536 121.223 -0.337 0.000 2.592 79 L HA 0.273 4.613 4.340 0.000 0.000 0.227 79 L C 1.300 177.956 176.870 -0.358 0.000 1.127 79 L CA -0.012 54.651 54.840 -0.295 0.000 0.884 79 L CB -0.187 41.698 42.059 -0.290 0.000 1.065 79 L HN 0.407 nan 8.230 nan 0.000 0.457 80 Q N 1.341 120.803 119.800 -0.563 0.000 2.296 80 Q HA 0.193 4.533 4.340 0.000 0.000 0.262 80 Q C -0.740 174.942 176.000 -0.530 0.000 0.981 80 Q CA -0.243 54.963 55.803 -0.995 0.000 0.905 80 Q CB 1.445 29.568 28.738 -1.025 0.000 1.186 80 Q HN -0.023 nan 8.270 nan 0.000 0.399 81 V N 6.933 126.572 119.914 -0.459 0.000 2.339 81 V HA 0.184 4.304 4.120 0.000 0.000 0.261 81 V C 0.165 176.117 176.094 -0.237 0.000 1.058 81 V CA -0.183 61.955 62.300 -0.270 0.000 0.897 81 V CB 0.196 31.905 31.823 -0.190 0.000 1.052 81 V HN 0.726 nan 8.190 nan 0.000 0.480 82 L N 7.909 129.013 121.223 -0.200 0.000 2.379 82 L HA 0.497 4.837 4.340 0.000 0.000 0.269 82 L C -1.859 174.943 176.870 -0.115 0.000 1.084 82 L CA -1.845 52.902 54.840 -0.156 0.000 0.802 82 L CB 1.427 43.399 42.059 -0.146 0.000 1.175 82 L HN 0.380 nan 8.230 nan 0.000 0.448 83 P HA 0.072 nan 4.420 nan 0.000 0.271 83 P C -0.537 176.721 177.300 -0.070 0.000 1.218 83 P CA -0.347 62.707 63.100 -0.076 0.000 0.780 83 P CB 0.622 32.282 31.700 -0.068 0.000 0.901 84 T N -2.159 112.359 114.554 -0.060 0.000 2.788 84 T HA 0.300 4.650 4.350 0.000 0.000 0.287 84 T C 1.734 176.405 174.700 -0.049 0.000 1.007 84 T CA 0.214 62.282 62.100 -0.053 0.000 1.005 84 T CB -0.243 68.596 68.868 -0.047 0.000 1.012 84 T HN 0.447 nan 8.240 nan 0.000 0.530 85 E N 1.205 121.379 120.200 -0.044 0.000 2.068 85 E HA -0.263 4.087 4.350 0.000 0.000 0.207 85 E C 1.524 178.101 176.600 -0.038 0.000 1.032 85 E CA 1.978 58.353 56.400 -0.040 0.000 0.839 85 E CB -1.467 28.212 29.700 -0.036 0.000 0.758 85 E HN 0.973 nan 8.360 nan 0.000 0.457 86 D N -0.515 119.863 120.400 -0.037 0.000 2.338 86 D HA -0.049 4.591 4.640 0.000 0.000 0.239 86 D C 0.287 176.566 176.300 -0.036 0.000 1.095 86 D CA 0.315 54.294 54.000 -0.035 0.000 0.888 86 D CB -0.490 40.290 40.800 -0.033 0.000 0.899 86 D HN 0.447 nan 8.370 nan 0.000 0.525 87 R N 0.033 120.509 120.500 -0.041 0.000 3.484 87 R HA -0.186 4.154 4.340 0.000 0.000 0.260 87 R C 0.784 177.060 176.300 -0.040 0.000 1.053 87 R CA 0.912 56.987 56.100 -0.042 0.000 0.703 87 R CB -2.447 27.829 30.300 -0.040 0.000 1.089 87 R HN 0.486 nan 8.270 nan 0.000 0.459 88 S N -0.231 115.445 115.700 -0.041 0.000 2.558 88 S HA -0.034 4.436 4.470 0.000 0.000 0.217 88 S C 1.033 175.607 174.600 -0.043 0.000 0.975 88 S CA 0.326 58.502 58.200 -0.040 0.000 0.912 88 S CB 0.121 63.298 63.200 -0.039 0.000 0.776 88 S HN 0.528 nan 8.310 nan 0.000 0.526 89 N N 1.300 119.972 118.700 -0.046 0.000 2.389 89 N HA 0.220 4.960 4.740 0.000 0.000 0.260 89 N C 0.860 176.340 175.510 -0.049 0.000 1.191 89 N CA -0.353 52.668 53.050 -0.049 0.000 0.885 89 N CB -0.299 38.157 38.487 -0.053 0.000 1.162 89 N HN 0.319 nan 8.380 nan 0.000 0.512 90 L N 0.267 121.463 121.223 -0.045 0.000 2.042 90 L HA -0.132 4.208 4.340 0.000 0.000 0.210 90 L C 0.970 177.818 176.870 -0.038 0.000 1.076 90 L CA 1.362 56.176 54.840 -0.043 0.000 0.749 90 L CB -0.219 41.817 42.059 -0.038 0.000 0.893 90 L HN 0.095 nan 8.230 nan 0.000 0.432 91 D N 0.049 120.429 120.400 -0.034 0.000 2.392 91 D HA -0.100 4.540 4.640 0.000 0.000 0.228 91 D C 1.467 177.749 176.300 -0.030 0.000 1.003 91 D CA 0.780 54.763 54.000 -0.028 0.000 0.917 91 D CB 0.039 40.823 40.800 -0.027 0.000 0.890 91 D HN 0.417 nan 8.370 nan 0.000 0.532 92 R N -0.619 119.858 120.500 -0.038 0.000 2.565 92 R HA 0.209 4.549 4.340 0.000 0.000 0.347 92 R C 0.097 176.367 176.300 -0.051 0.000 1.010 92 R CA -0.226 55.850 56.100 -0.040 0.000 1.126 92 R CB 0.380 30.655 30.300 -0.042 0.000 1.331 92 R HN 0.028 nan 8.270 nan 0.000 0.552 93 C N 0.802 120.069 119.300 -0.055 0.000 2.520 93 C HA 0.787 5.247 4.460 0.000 0.000 0.376 93 C C 1.381 176.339 174.990 -0.055 0.000 1.268 93 C CA 0.300 59.273 59.018 -0.076 0.000 2.414 93 C CB 0.998 28.690 27.740 -0.079 0.000 2.521 93 C HN 0.786 nan 8.230 nan 0.000 0.618 94 G N 0.708 109.455 108.800 -0.089 0.000 2.366 94 G HA2 0.270 4.230 3.960 0.000 0.000 0.190 94 G HA3 0.270 4.230 3.960 0.000 0.000 0.190 94 G C -1.652 173.192 174.900 -0.094 0.000 1.299 94 G CA -0.536 44.576 45.100 0.020 0.000 1.056 94 G HN 0.421 nan 8.290 nan 0.000 0.468 95 F N 1.368 121.276 119.950 -0.071 0.000 2.546 95 F HA 0.755 5.282 4.527 0.000 0.000 0.320 95 F C 0.934 176.691 175.800 -0.073 0.000 1.076 95 F CA -0.717 57.222 58.000 -0.101 0.000 0.928 95 F CB 2.066 40.981 39.000 -0.143 0.000 1.189 95 F HN 0.388 nan 8.300 nan 0.000 0.465 96 R N 0.235 120.763 120.500 0.048 0.000 2.532 96 R HA 0.451 4.791 4.340 0.000 0.000 0.272 96 R C 1.036 177.360 176.300 0.040 0.000 1.032 96 R CA -0.237 55.888 56.100 0.041 0.000 1.089 96 R CB 0.562 30.841 30.300 -0.035 0.000 1.098 96 R HN 0.919 nan 8.270 nan 0.000 0.526 97 G N -0.124 108.723 108.800 0.078 0.000 2.511 97 G HA2 -0.092 3.868 3.960 0.000 0.000 0.217 97 G HA3 -0.092 3.868 3.960 0.000 0.000 0.217 97 G C 0.282 175.219 174.900 0.062 0.000 1.133 97 G CA 0.857 45.965 45.100 0.015 0.000 0.792 97 G HN 0.636 nan 8.290 nan 0.000 0.539 98 S N -1.932 113.857 115.700 0.149 0.000 2.671 98 S HA 0.331 4.801 4.470 0.000 0.000 0.270 98 S C 0.389 175.089 174.600 0.167 0.000 1.166 98 S CA 0.498 58.810 58.200 0.188 0.000 0.868 98 S CB 0.676 64.050 63.200 0.290 0.000 1.190 98 S HN 0.511 nan 8.310 nan 0.000 0.494 99 S N 0.236 116.043 115.700 0.178 0.000 2.614 99 S HA 0.120 4.590 4.470 0.000 0.000 0.230 99 S C 1.317 175.948 174.600 0.051 0.000 0.952 99 S CA 0.211 58.455 58.200 0.074 0.000 0.949 99 S CB -1.344 61.939 63.200 0.139 0.000 0.786 99 S HN 1.069 nan 8.310 nan 0.000 0.478 100 Y N 0.677 121.002 120.300 0.041 0.000 2.446 100 Y HA 0.066 4.617 4.550 0.000 0.000 0.287 100 Y C 1.391 177.302 175.900 0.019 0.000 1.159 100 Y CA 0.334 58.456 58.100 0.036 0.000 1.297 100 Y CB -0.711 37.769 38.460 0.033 0.000 0.974 100 Y HN 0.318 nan 8.280 nan 0.000 0.557 101 L N 0.338 121.206 121.223 -0.590 0.000 2.418 101 L HA 0.185 4.525 4.340 0.000 0.000 0.218 101 L C 1.839 178.620 176.870 -0.149 0.000 1.125 101 L CA 0.916 55.489 54.840 -0.445 0.000 0.835 101 L CB -0.539 41.132 42.059 -0.647 0.000 0.953 101 L HN 0.645 nan 8.230 nan 0.000 0.454 102 G N 0.795 109.545 108.800 -0.084 0.000 2.132 102 G HA2 -0.259 3.701 3.960 0.000 0.000 0.234 102 G HA3 -0.259 3.701 3.960 0.000 0.000 0.234 102 G C 0.212 175.122 174.900 0.016 0.000 0.989 102 G CA -0.320 44.782 45.100 0.005 0.000 0.676 102 G HN 0.258 nan 8.290 nan 0.000 0.522 103 I N 2.936 123.488 120.570 -0.031 0.000 2.496 103 I HA 0.214 4.384 4.170 0.000 0.000 0.285 103 I C -0.811 175.318 176.117 0.020 0.000 1.080 103 I CA -1.691 59.602 61.300 -0.011 0.000 1.404 103 I CB 0.684 38.637 38.000 -0.078 0.000 1.403 103 I HN 0.021 nan 8.210 nan 0.000 0.539 104 P HA -0.106 nan 4.420 nan 0.000 0.262 104 P C -0.432 176.926 177.300 0.097 0.000 1.182 104 P CA -0.080 63.067 63.100 0.079 0.000 0.761 104 P CB 0.317 32.052 31.700 0.060 0.000 0.795 105 F N 3.699 123.655 119.950 0.009 0.000 2.569 105 F HA -0.020 4.507 4.527 0.000 0.000 0.395 105 F C 0.471 176.274 175.800 0.006 0.000 1.028 105 F CA 0.719 58.728 58.000 0.016 0.000 1.158 105 F CB -0.231 38.795 39.000 0.044 0.000 1.023 105 F HN 0.361 nan 8.300 nan 0.000 0.547 106 N N 7.482 125.902 118.700 -0.467 0.000 2.621 106 N HA 0.307 5.047 4.740 0.000 0.000 0.271 106 N C -2.799 172.442 175.510 -0.447 0.000 1.181 106 N CA -1.672 51.178 53.050 -0.334 0.000 0.805 106 N CB 1.322 39.709 38.487 -0.166 0.000 1.351 106 N HN 0.143 nan 8.380 nan 0.000 0.539 107 P HA 0.044 nan 4.420 nan 0.000 0.238 107 P C -0.714 176.486 177.300 -0.166 0.000 1.679 107 P CA 0.264 63.192 63.100 -0.287 0.000 1.080 107 P CB -0.418 31.198 31.700 -0.139 0.000 1.961 108 S N -0.736 114.862 115.700 -0.170 0.000 3.477 108 S HA -0.220 4.250 4.470 0.000 0.000 0.371 108 S C 1.236 175.727 174.600 -0.181 0.000 0.965 108 S CA 1.548 59.646 58.200 -0.170 0.000 1.239 108 S CB -1.421 61.678 63.200 -0.169 0.000 0.918 108 S HN 0.788 nan 8.310 nan 0.000 0.498 109 K N 0.395 120.709 120.400 -0.144 0.000 2.786 109 K HA 0.574 4.894 4.320 0.000 0.000 0.224 109 K C 0.802 177.345 176.600 -0.096 0.000 1.089 109 K CA 0.918 57.138 56.287 -0.112 0.000 1.162 109 K CB -1.289 31.163 32.500 -0.080 0.000 1.585 109 K HN 0.898 nan 8.250 nan 0.000 0.466 110 N N 1.175 119.828 118.700 -0.078 0.000 2.235 110 N HA 0.456 5.196 4.740 0.000 0.000 0.231 110 N C -0.448 175.015 175.510 -0.077 0.000 1.330 110 N CA -0.225 52.785 53.050 -0.066 0.000 0.898 110 N CB -1.285 37.171 38.487 -0.051 0.000 1.151 110 N HN 0.759 nan 8.380 nan 0.000 0.472 111 P HA 0.515 nan 4.420 nan 0.000 0.300 111 P C 0.608 177.862 177.300 -0.076 0.000 1.294 111 P CA 1.069 64.127 63.100 -0.070 0.000 0.757 111 P CB -0.270 31.395 31.700 -0.057 0.000 1.377 112 G N -1.587 107.170 108.800 -0.073 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 0.229 175.097 174.900 -0.053 0.000 1.121 112 G CA 0.919 45.975 45.100 -0.074 0.000 0.886 112 G HN 0.788 nan 8.290 nan 0.000 0.447 113 T N 1.167 115.694 114.554 -0.045 0.000 2.775 113 T HA 0.611 4.961 4.350 0.000 0.000 0.287 113 T C 0.929 175.627 174.700 -0.003 0.000 0.909 113 T CA 0.231 62.318 62.100 -0.023 0.000 1.081 113 T CB -0.048 68.812 68.868 -0.012 0.000 0.891 113 T HN 1.268 nan 8.240 nan 0.000 0.544 114 A N 3.717 126.530 122.820 -0.011 0.000 2.598 114 A HA 0.396 4.716 4.320 0.000 0.000 0.239 114 A C 0.321 177.929 177.584 0.040 0.000 1.032 114 A CA 0.333 52.368 52.037 -0.003 0.000 0.760 114 A CB -0.185 18.798 19.000 -0.029 0.000 0.946 114 A HN 0.984 nan 8.150 nan 0.000 0.512 115 H N 3.305 122.337 119.070 -0.064 0.000 2.966 115 H HA 0.336 4.892 4.556 0.000 0.000 0.347 115 H C -2.381 172.894 175.328 -0.088 0.000 1.048 115 H CA -1.515 54.502 56.048 -0.052 0.000 1.295 115 H CB 1.929 31.668 29.762 -0.038 0.000 1.744 115 H HN 0.356 nan 8.280 nan 0.000 0.513 116 P HA -0.128 nan 4.420 nan 0.000 0.217 116 P C -0.051 177.004 177.300 -0.409 0.000 1.148 116 P CA 1.515 64.457 63.100 -0.262 0.000 0.834 116 P CB 0.091 31.579 31.700 -0.352 0.000 0.783 117 Y N -2.552 117.981 120.300 0.388 0.000 2.707 117 Y HA 0.268 4.818 4.550 0.000 0.000 0.249 117 Y C 0.080 175.964 175.900 -0.027 0.000 1.166 117 Y CA -1.011 57.181 58.100 0.153 0.000 1.184 117 Y CB 0.001 38.552 38.460 0.152 0.000 1.240 117 Y HN -0.161 nan 8.280 nan 0.000 0.547 118 D N 1.552 121.953 120.400 0.001 0.000 2.359 118 D HA 0.438 5.078 4.640 0.000 0.000 0.230 118 D C -0.191 176.065 176.300 -0.074 0.000 1.118 118 D CA 0.079 53.982 54.000 -0.163 0.000 0.844 118 D CB 0.704 41.343 40.800 -0.269 0.000 1.059 118 D HN 0.159 nan 8.370 nan 0.000 0.493 119 S N 1.709 117.379 115.700 -0.050 0.000 2.671 119 S HA 0.825 5.295 4.470 0.000 0.000 0.277 119 S C 0.253 174.846 174.600 -0.011 0.000 1.165 119 S CA -0.833 57.348 58.200 -0.032 0.000 0.822 119 S CB 1.084 64.280 63.200 -0.007 0.000 1.150 119 S HN 0.415 nan 8.310 nan 0.000 0.479 120 G N -0.096 108.697 108.800 -0.011 0.000 2.580 120 G HA2 0.500 4.460 3.960 0.000 0.000 0.278 120 G HA3 0.500 4.460 3.960 0.000 0.000 0.278 120 G C -0.881 174.063 174.900 0.072 0.000 1.212 120 G CA -0.321 44.797 45.100 0.031 0.000 0.939 120 G HN 0.857 nan 8.290 nan 0.000 0.513 121 H N 0.551 119.618 119.070 -0.006 0.000 2.689 121 H HA 0.235 4.791 4.556 0.000 0.000 0.346 121 H C 1.013 176.303 175.328 -0.064 0.000 1.037 121 H CA -0.710 55.309 56.048 -0.048 0.000 1.234 121 H CB 1.863 31.613 29.762 -0.020 0.000 1.572 121 H HN 0.381 nan 8.280 nan 0.000 0.524 122 I N 3.900 124.331 120.570 -0.232 0.000 2.185 122 I HA -0.331 3.839 4.170 0.000 0.000 0.246 122 I C 1.928 178.099 176.117 0.090 0.000 1.088 122 I CA 1.914 63.139 61.300 -0.124 0.000 1.347 122 I CB -0.087 37.731 38.000 -0.302 0.000 1.041 122 I HN 0.710 nan 8.210 nan 0.000 0.415 123 A N -0.170 122.835 122.820 0.309 0.000 2.066 123 A HA -0.136 4.184 4.320 0.000 0.000 0.218 123 A C 2.087 179.763 177.584 0.154 0.000 1.157 123 A CA 1.097 53.345 52.037 0.352 0.000 0.670 123 A CB -0.258 19.007 19.000 0.441 0.000 0.804 123 A HN 0.425 nan 8.150 nan 0.000 0.453 124 M N -1.020 118.664 119.600 0.140 0.000 2.357 124 M HA 0.006 4.486 4.480 0.000 0.000 0.266 124 M C 2.011 178.266 176.300 -0.075 0.000 1.095 124 M CA 1.485 56.772 55.300 -0.021 0.000 1.156 124 M CB -1.892 30.722 32.600 0.023 0.000 1.365 124 M HN 0.311 nan 8.290 nan 0.000 0.447 125 T N 0.548 115.123 114.554 0.036 0.000 2.746 125 T HA -0.167 4.183 4.350 0.000 0.000 0.267 125 T C 1.693 176.298 174.700 -0.159 0.000 1.039 125 T CA 1.465 63.564 62.100 -0.001 0.000 1.142 125 T CB -0.442 68.487 68.868 0.102 0.000 0.866 125 T HN 0.354 nan 8.240 nan 0.000 0.444 126 Y N 3.020 123.203 120.300 -0.195 0.000 2.070 126 Y HA -0.202 4.348 4.550 0.000 0.000 0.279 126 Y C 2.715 178.414 175.900 -0.336 0.000 1.134 126 Y CA 1.951 59.903 58.100 -0.247 0.000 1.113 126 Y CB -1.299 37.037 38.460 -0.205 0.000 0.981 126 Y HN 0.293 nan 8.280 nan 0.000 0.487 127 T N -1.924 112.062 114.554 -0.946 0.000 2.833 127 T HA -0.052 4.298 4.350 0.000 0.000 0.269 127 T C 2.217 176.542 174.700 -0.625 0.000 1.054 127 T CA 1.158 62.609 62.100 -1.081 0.000 1.135 127 T CB -1.396 66.970 68.868 -0.836 0.000 0.869 127 T HN 0.449 nan 8.240 nan 0.000 0.466 128 G N 1.938 110.386 108.800 -0.585 0.000 2.453 128 G HA2 -0.056 3.904 3.960 0.000 0.000 0.215 128 G HA3 -0.056 3.904 3.960 0.000 0.000 0.215 128 G C 1.506 175.977 174.900 -0.715 0.000 1.201 128 G CA 0.771 45.436 45.100 -0.725 0.000 0.784 128 G HN 0.510 nan 8.290 nan 0.000 0.545 129 L N 0.596 121.407 121.223 -0.687 0.000 2.042 129 L HA -0.118 4.222 4.340 0.000 0.000 0.210 129 L C 3.111 179.827 176.870 -0.256 0.000 1.076 129 L CA 1.388 55.981 54.840 -0.413 0.000 0.749 129 L CB -0.504 41.412 42.059 -0.237 0.000 0.893 129 L HN 0.356 nan 8.230 nan 0.000 0.432 130 S N -0.956 114.577 115.700 -0.280 0.000 2.370 130 S HA -0.223 4.247 4.470 0.000 0.000 0.226 130 S C 2.172 176.720 174.600 -0.087 0.000 1.033 130 S CA 1.597 59.697 58.200 -0.167 0.000 1.011 130 S CB -0.319 62.678 63.200 -0.340 0.000 0.852 130 S HN 0.506 nan 8.310 nan 0.000 0.457 131 C N 0.982 120.200 119.300 -0.137 0.000 2.446 131 C HA 0.080 4.540 4.460 0.000 0.000 0.277 131 C C 2.530 177.460 174.990 -0.100 0.000 1.275 131 C CA 0.571 59.539 59.018 -0.084 0.000 1.727 131 C CB -1.550 26.133 27.740 -0.095 0.000 2.010 131 C HN 0.590 nan 8.230 nan 0.000 0.486 132 L N 0.390 121.516 121.223 -0.163 0.000 2.012 132 L HA -0.187 4.154 4.340 0.000 0.000 0.210 132 L C 2.384 179.226 176.870 -0.045 0.000 1.073 132 L CA 1.651 56.416 54.840 -0.125 0.000 0.748 132 L CB -0.540 41.400 42.059 -0.199 0.000 0.891 132 L HN 0.364 nan 8.230 nan 0.000 0.431 133 I N -0.295 120.248 120.570 -0.045 0.000 2.226 133 I HA -0.312 3.858 4.170 0.000 0.000 0.245 133 I C 2.404 178.507 176.117 -0.023 0.000 1.100 133 I CA 1.431 62.718 61.300 -0.022 0.000 1.374 133 I CB -0.219 37.765 38.000 -0.027 0.000 1.057 133 I HN 0.198 nan 8.210 nan 0.000 0.413 134 I N 0.515 121.068 120.570 -0.029 0.000 2.286 134 I HA -0.273 3.897 4.170 0.000 0.000 0.248 134 I C 2.134 178.233 176.117 -0.030 0.000 1.115 134 I CA 1.423 62.702 61.300 -0.034 0.000 1.392 134 I CB -0.219 37.745 38.000 -0.059 0.000 1.065 134 I HN 0.216 nan 8.210 nan 0.000 0.418 135 L N 0.363 121.572 121.223 -0.023 0.000 2.610 135 L HA 0.098 4.438 4.340 0.000 0.000 0.232 135 L C 1.642 178.520 176.870 0.013 0.000 1.149 135 L CA 0.695 55.532 54.840 -0.005 0.000 0.872 135 L CB -0.400 41.662 42.059 0.006 0.000 0.992 135 L HN 0.534 nan 8.230 nan 0.000 0.447 136 G N 0.065 108.872 108.800 0.012 0.000 2.195 136 G HA2 -0.329 3.631 3.960 0.000 0.000 0.246 136 G HA3 -0.329 3.631 3.960 0.000 0.000 0.246 136 G C 0.148 175.077 174.900 0.048 0.000 0.984 136 G CA 0.256 45.369 45.100 0.022 0.000 0.633 136 G HN 0.466 nan 8.290 nan 0.000 0.525 137 D N 0.611 121.053 120.400 0.069 0.000 2.400 137 D HA 0.399 5.039 4.640 0.000 0.000 0.238 137 D C 1.363 177.741 176.300 0.130 0.000 1.157 137 D CA 0.602 54.675 54.000 0.122 0.000 0.889 137 D CB 0.455 41.356 40.800 0.168 0.000 1.199 137 D HN 0.326 nan 8.370 nan 0.000 0.436 138 D N 1.529 122.033 120.400 0.172 0.000 2.363 138 D HA 0.058 4.698 4.640 0.000 0.000 0.214 138 D C 0.656 177.151 176.300 0.324 0.000 1.093 138 D CA -0.276 53.852 54.000 0.213 0.000 0.837 138 D CB 0.024 40.941 40.800 0.196 0.000 0.948 138 D HN 0.316 nan 8.370 nan 0.000 0.507 139 L N 0.243 121.650 121.223 0.306 0.000 4.496 139 L HA -0.296 4.044 4.340 0.000 0.000 0.419 139 L C 1.749 178.755 176.870 0.227 0.000 1.139 139 L CA 1.028 56.066 54.840 0.330 0.000 0.975 139 L CB -2.903 39.384 42.059 0.381 0.000 2.099 139 L HN 0.347 nan 8.230 nan 0.000 0.818 140 S N -1.372 114.427 115.700 0.165 0.000 2.399 140 S HA -0.118 4.352 4.470 0.000 0.000 0.231 140 S C 1.720 176.306 174.600 -0.024 0.000 1.022 140 S CA 1.240 59.463 58.200 0.040 0.000 0.983 140 S CB -0.216 63.000 63.200 0.027 0.000 0.803 140 S HN 0.641 nan 8.310 nan 0.000 0.480 141 R N 0.677 121.142 120.500 -0.058 0.000 2.313 141 R HA 0.286 4.626 4.340 0.000 0.000 0.199 141 R C -0.434 175.870 176.300 0.007 0.000 0.958 141 R CA -0.033 55.926 56.100 -0.236 0.000 1.047 141 R CB 0.034 29.817 30.300 -0.863 0.000 0.955 141 R HN 0.257 nan 8.270 nan 0.000 0.481 142 V N 2.074 122.114 119.914 0.210 0.000 2.488 142 V HA -0.015 4.105 4.120 0.000 0.000 0.277 142 V C 0.237 176.366 176.094 0.057 0.000 1.046 142 V CA -0.453 61.995 62.300 0.247 0.000 0.986 142 V CB 1.278 33.267 31.823 0.278 0.000 0.989 142 V HN 0.100 nan 8.190 nan 0.000 0.475 143 D N 4.932 125.340 120.400 0.014 0.000 2.508 143 D HA 0.097 4.737 4.640 0.000 0.000 0.224 143 D C 1.223 177.501 176.300 -0.036 0.000 1.171 143 D CA -0.067 53.907 54.000 -0.043 0.000 1.006 143 D CB 0.508 41.268 40.800 -0.067 0.000 1.073 143 D HN 0.532 nan 8.370 nan 0.000 0.513 144 K N 1.560 121.925 120.400 -0.059 0.000 2.059 144 K HA -0.191 4.129 4.320 0.000 0.000 0.212 144 K C 1.567 178.127 176.600 -0.067 0.000 1.050 144 K CA 1.031 57.275 56.287 -0.072 0.000 0.927 144 K CB 0.225 32.631 32.500 -0.155 0.000 0.714 144 K HN 0.304 nan 8.250 nan 0.000 0.447 145 E N 0.535 120.690 120.200 -0.076 0.000 2.110 145 E HA -0.154 4.196 4.350 0.000 0.000 0.193 145 E C 2.089 178.660 176.600 -0.048 0.000 0.988 145 E CA 1.244 57.606 56.400 -0.062 0.000 0.804 145 E CB -0.232 29.430 29.700 -0.063 0.000 0.745 145 E HN 0.369 nan 8.360 nan 0.000 0.458 146 A N 0.771 123.561 122.820 -0.050 0.000 1.873 146 A HA -0.179 4.141 4.320 0.000 0.000 0.215 146 A C 2.650 180.213 177.584 -0.035 0.000 1.186 146 A CA 1.426 53.435 52.037 -0.047 0.000 0.616 146 A CB -0.925 18.038 19.000 -0.062 0.000 0.823 146 A HN 0.349 nan 8.150 nan 0.000 0.442 147 C N -0.660 118.627 119.300 -0.021 0.000 2.429 147 C HA -0.070 4.390 4.460 0.000 0.000 0.277 147 C C 2.645 177.629 174.990 -0.009 0.000 1.262 147 C CA 1.043 60.063 59.018 0.003 0.000 1.733 147 C CB -1.557 26.211 27.740 0.047 0.000 2.010 147 C HN 0.620 nan 8.230 nan 0.000 0.483 148 L N 1.009 122.219 121.223 -0.023 0.000 2.083 148 L HA -0.138 4.202 4.340 0.000 0.000 0.209 148 L C 2.868 179.735 176.870 -0.004 0.000 1.083 148 L CA 1.520 56.346 54.840 -0.023 0.000 0.752 148 L CB -0.741 41.296 42.059 -0.037 0.000 0.899 148 L HN 0.342 nan 8.230 nan 0.000 0.433 149 A N 0.313 123.126 122.820 -0.012 0.000 1.898 149 A HA -0.098 4.222 4.320 0.000 0.000 0.216 149 A C 2.413 179.996 177.584 -0.001 0.000 1.181 149 A CA 1.635 53.667 52.037 -0.008 0.000 0.620 149 A CB -1.181 17.807 19.000 -0.020 0.000 0.819 149 A HN 0.427 nan 8.150 nan 0.000 0.442 150 G N -0.356 108.440 108.800 -0.007 0.000 2.418 150 G HA2 -0.180 3.780 3.960 0.000 0.000 0.217 150 G HA3 -0.180 3.780 3.960 0.000 0.000 0.217 150 G C 1.589 176.500 174.900 0.019 0.000 1.158 150 G CA 0.926 46.023 45.100 -0.004 0.000 0.771 150 G HN 0.406 nan 8.290 nan 0.000 0.545 151 L N -0.154 121.087 121.223 0.030 0.000 1.989 151 L HA -0.092 4.248 4.340 0.000 0.000 0.211 151 L C 3.238 180.214 176.870 0.177 0.000 1.071 151 L CA 1.339 56.226 54.840 0.078 0.000 0.749 151 L CB -0.283 41.792 42.059 0.028 0.000 0.890 151 L HN 0.207 nan 8.230 nan 0.000 0.431 152 R N -0.551 120.018 120.500 0.115 0.000 2.103 152 R HA -0.226 4.114 4.340 0.000 0.000 0.242 152 R C 2.183 178.506 176.300 0.038 0.000 1.142 152 R CA 1.564 57.719 56.100 0.093 0.000 0.960 152 R CB -0.525 29.802 30.300 0.045 0.000 0.858 152 R HN 0.460 nan 8.270 nan 0.000 0.439 153 A N 0.770 123.604 122.820 0.024 0.000 2.070 153 A HA -0.098 4.222 4.320 0.000 0.000 0.220 153 A C 2.024 179.598 177.584 -0.015 0.000 1.159 153 A CA 1.070 53.103 52.037 -0.007 0.000 0.656 153 A CB -0.336 18.658 19.000 -0.010 0.000 0.800 153 A HN 0.212 nan 8.150 nan 0.000 0.453 154 L N -0.985 120.259 121.223 0.034 0.000 2.418 154 L HA 0.020 4.360 4.340 0.000 0.000 0.218 154 L C 1.425 178.239 176.870 -0.094 0.000 1.125 154 L CA 0.070 54.937 54.840 0.045 0.000 0.835 154 L CB -0.231 41.928 42.059 0.167 0.000 0.953 154 L HN 0.513 nan 8.230 nan 0.000 0.454 155 Q N 1.375 120.977 119.800 -0.331 0.000 2.304 155 Q HA 0.318 4.658 4.340 0.000 0.000 0.260 155 Q C -0.543 175.204 176.000 -0.423 0.000 0.965 155 Q CA -0.143 55.160 55.803 -0.833 0.000 0.898 155 Q CB 0.933 29.047 28.738 -1.040 0.000 1.196 155 Q HN 0.234 nan 8.270 nan 0.000 0.402 156 L N 2.522 123.509 121.223 -0.393 0.000 2.448 156 L HA 0.301 4.641 4.340 0.000 0.000 0.258 156 L C 1.820 178.585 176.870 -0.175 0.000 1.104 156 L CA 0.086 54.799 54.840 -0.213 0.000 0.800 156 L CB 0.378 42.345 42.059 -0.154 0.000 1.241 156 L HN 0.904 nan 8.230 nan 0.000 0.472 157 E N 0.758 120.899 120.200 -0.099 0.000 2.118 157 E HA -0.255 4.095 4.350 0.000 0.000 0.195 157 E C 1.297 177.871 176.600 -0.042 0.000 0.992 157 E CA 1.632 57.994 56.400 -0.063 0.000 0.804 157 E CB -0.840 28.840 29.700 -0.033 0.000 0.741 157 E HN 0.877 nan 8.360 nan 0.000 0.458 158 D N -1.882 118.503 120.400 -0.025 0.000 2.363 158 D HA 0.217 4.857 4.640 0.000 0.000 0.226 158 D C 1.512 177.848 176.300 0.061 0.000 1.020 158 D CA 1.207 55.239 54.000 0.053 0.000 0.892 158 D CB -0.061 40.822 40.800 0.137 0.000 0.900 158 D HN 0.870 nan 8.370 nan 0.000 0.531 159 G N -0.149 108.599 108.800 -0.087 0.000 2.258 159 G HA2 -0.295 3.665 3.960 0.000 0.000 0.233 159 G HA3 -0.295 3.665 3.960 0.000 0.000 0.233 159 G C 0.547 175.267 174.900 -0.300 0.000 1.006 159 G CA 0.450 45.480 45.100 -0.116 0.000 0.620 159 G HN 0.835 nan 8.290 nan 0.000 0.511 160 S N -0.141 115.238 115.700 -0.536 0.000 2.641 160 S HA 0.804 5.274 4.470 0.000 0.000 0.261 160 S C -0.157 174.204 174.600 -0.398 0.000 1.257 160 S CA -0.276 57.528 58.200 -0.660 0.000 0.983 160 S CB 1.234 63.687 63.200 -1.245 0.000 0.990 160 S HN 0.563 nan 8.310 nan 0.000 0.572 161 F N -1.297 118.566 119.950 -0.145 0.000 2.593 161 F HA 0.591 5.118 4.527 0.000 0.000 0.320 161 F C 0.383 176.239 175.800 0.093 0.000 1.060 161 F CA -1.002 56.989 58.000 -0.015 0.000 0.940 161 F CB 1.499 40.515 39.000 0.026 0.000 1.268 161 F HN 0.669 nan 8.300 nan 0.000 0.475 162 C N 0.482 119.891 119.300 0.182 0.000 2.345 162 C HA 0.699 5.159 4.460 0.000 0.000 0.370 162 C C 1.465 176.279 174.990 -0.293 0.000 1.209 162 C CA -0.019 59.031 59.018 0.054 0.000 2.133 162 C CB 1.358 29.092 27.740 -0.011 0.000 2.293 162 C HN 0.974 nan 8.230 nan 0.000 0.544 163 A N 0.355 122.780 122.820 -0.659 0.000 1.997 163 A HA 0.387 4.707 4.320 0.000 0.000 0.212 163 A C 0.556 177.737 177.584 -0.673 0.000 1.178 163 A CA 1.116 52.474 52.037 -1.133 0.000 0.698 163 A CB -0.158 17.872 19.000 -1.616 0.000 0.842 163 A HN 1.256 nan 8.150 nan 0.000 0.458 164 V N -4.802 114.896 119.914 -0.359 0.000 2.925 164 V HA 0.499 4.620 4.120 0.000 0.000 0.311 164 V C -2.360 173.684 176.094 -0.084 0.000 1.104 164 V CA -1.655 60.538 62.300 -0.177 0.000 0.954 164 V CB 1.806 33.580 31.823 -0.082 0.000 1.022 164 V HN 0.066 nan 8.190 nan 0.000 0.427 165 P HA -0.127 nan 4.420 nan 0.000 0.219 165 P C 0.914 178.210 177.300 -0.006 0.000 1.146 165 P CA 1.416 64.501 63.100 -0.026 0.000 0.808 165 P CB 0.416 32.102 31.700 -0.023 0.000 0.779 166 E N -0.285 119.924 120.200 0.015 0.000 2.418 166 E HA 0.239 4.589 4.350 0.000 0.000 0.197 166 E C 1.075 177.698 176.600 0.037 0.000 1.026 166 E CA 0.811 57.238 56.400 0.045 0.000 0.862 166 E CB -0.568 29.189 29.700 0.095 0.000 0.799 166 E HN 0.354 nan 8.360 nan 0.000 0.518 167 G N -0.348 108.462 108.800 0.016 0.000 2.742 167 G HA2 0.221 4.181 3.960 0.000 0.000 0.686 167 G HA3 0.221 4.181 3.960 0.000 0.000 0.686 167 G C -0.311 174.606 174.900 0.028 0.000 1.220 167 G CA -0.473 44.638 45.100 0.020 0.000 0.783 167 G HN 0.580 nan 8.290 nan 0.000 0.646 168 S N -0.244 115.480 115.700 0.039 0.000 2.669 168 S HA 0.760 5.230 4.470 0.000 0.000 0.266 168 S C -0.385 174.284 174.600 0.114 0.000 1.149 168 S CA 0.076 58.322 58.200 0.076 0.000 0.842 168 S CB 1.504 64.737 63.200 0.056 0.000 1.160 168 S HN 2.022 nan 8.310 nan 0.000 0.487 169 E N 1.339 121.641 120.200 0.170 0.000 2.392 169 E HA 0.296 4.646 4.350 0.000 0.000 0.256 169 E C -0.820 175.926 176.600 0.244 0.000 1.145 169 E CA -0.406 56.093 56.400 0.165 0.000 0.929 169 E CB 0.069 29.855 29.700 0.143 0.000 0.998 169 E HN 0.759 nan 8.360 nan 0.000 0.442 170 N N 0.583 119.381 118.700 0.162 0.000 2.249 170 N HA 0.390 5.130 4.740 0.000 0.000 0.296 170 N C -1.384 174.161 175.510 0.059 0.000 1.051 170 N CA -0.534 52.618 53.050 0.171 0.000 0.815 170 N CB 2.122 40.657 38.487 0.080 0.000 1.487 170 N HN 0.623 nan 8.380 nan 0.000 0.475 171 D N -0.163 120.229 120.400 -0.013 0.000 2.865 171 D HA 0.121 4.761 4.640 0.000 0.000 0.343 171 D C 0.609 176.898 176.300 -0.019 0.000 1.372 171 D CA -0.660 53.335 54.000 -0.007 0.000 0.862 171 D CB 0.458 41.218 40.800 -0.066 0.000 1.425 171 D HN 0.213 nan 8.370 nan 0.000 0.501 172 M N 0.052 119.719 119.600 0.111 0.000 2.202 172 M HA 0.047 4.527 4.480 0.000 0.000 0.262 172 M C 1.831 178.145 176.300 0.024 0.000 1.063 172 M CA 1.785 57.166 55.300 0.135 0.000 1.097 172 M CB -0.391 32.278 32.600 0.115 0.000 1.382 172 M HN 0.460 nan 8.290 nan 0.000 0.413 173 R N -1.275 119.132 120.500 -0.155 0.000 2.096 173 R HA -0.176 4.164 4.340 0.000 0.000 0.240 173 R C 2.066 178.386 176.300 0.034 0.000 1.139 173 R CA 2.096 58.102 56.100 -0.157 0.000 0.952 173 R CB -0.724 29.309 30.300 -0.445 0.000 0.854 173 R HN 0.434 nan 8.270 nan 0.000 0.436 174 F N -0.412 119.587 119.950 0.082 0.000 2.456 174 F HA -0.084 4.443 4.527 0.000 0.000 0.298 174 F C 2.251 177.990 175.800 -0.101 0.000 1.104 174 F CA -0.129 57.880 58.000 0.014 0.000 1.435 174 F CB 0.005 39.033 39.000 0.047 0.000 1.078 174 F HN -0.166 nan 8.300 nan 0.000 0.546 175 V N -0.332 119.674 119.914 0.154 0.000 2.358 175 V HA -0.326 3.794 4.120 0.000 0.000 0.246 175 V C 2.038 178.129 176.094 -0.005 0.000 1.047 175 V CA 1.802 64.154 62.300 0.088 0.000 1.035 175 V CB -0.742 31.209 31.823 0.214 0.000 0.658 175 V HN 0.391 nan 8.190 nan 0.000 0.452 176 Y N 0.246 120.518 120.300 -0.046 0.000 2.200 176 Y HA -0.252 4.298 4.550 0.000 0.000 0.290 176 Y C 2.529 178.300 175.900 -0.216 0.000 1.137 176 Y CA 1.638 59.684 58.100 -0.089 0.000 1.163 176 Y CB -0.693 37.752 38.460 -0.025 0.000 0.988 176 Y HN 0.243 nan 8.280 nan 0.000 0.518 177 C N 0.378 119.505 119.300 -0.289 0.000 2.429 177 C HA -0.131 4.329 4.460 0.000 0.000 0.277 177 C C 3.076 177.781 174.990 -0.475 0.000 1.262 177 C CA 1.214 59.956 59.018 -0.461 0.000 1.733 177 C CB -1.760 25.941 27.740 -0.065 0.000 2.010 177 C HN 0.738 nan 8.230 nan 0.000 0.483 178 A N 0.516 123.034 122.820 -0.503 0.000 1.883 178 A HA -0.175 4.145 4.320 0.000 0.000 0.217 178 A C 2.264 179.584 177.584 -0.440 0.000 1.186 178 A CA 2.400 54.059 52.037 -0.631 0.000 0.624 178 A CB -0.876 17.299 19.000 -1.376 0.000 0.822 178 A HN 0.563 nan 8.150 nan 0.000 0.444 179 S N -0.867 114.636 115.700 -0.329 0.000 2.359 179 S HA -0.214 4.256 4.470 0.000 0.000 0.224 179 S C 1.957 176.366 174.600 -0.319 0.000 1.035 179 S CA 1.474 59.586 58.200 -0.147 0.000 1.018 179 S CB -0.756 62.476 63.200 0.054 0.000 0.876 179 S HN 0.716 nan 8.310 nan 0.000 0.448 180 C N 1.301 120.304 119.300 -0.495 0.000 2.429 180 C HA 0.013 4.473 4.460 0.000 0.000 0.277 180 C C 2.454 177.310 174.990 -0.222 0.000 1.262 180 C CA 0.259 59.026 59.018 -0.419 0.000 1.733 180 C CB -1.376 25.896 27.740 -0.780 0.000 2.010 180 C HN 0.547 nan 8.230 nan 0.000 0.483 181 I N 0.068 120.477 120.570 -0.268 0.000 2.142 181 I HA -0.248 3.922 4.170 0.000 0.000 0.240 181 I C 2.602 178.561 176.117 -0.263 0.000 1.078 181 I CA 1.504 62.695 61.300 -0.183 0.000 1.343 181 I CB -0.575 37.321 38.000 -0.175 0.000 1.046 181 I HN 0.365 nan 8.210 nan 0.000 0.405 182 C N -0.220 118.790 119.300 -0.483 0.000 2.413 182 C HA -0.237 4.223 4.460 0.000 0.000 0.276 182 C C 2.803 177.275 174.990 -0.864 0.000 1.248 182 C CA 0.790 59.321 59.018 -0.813 0.000 1.742 182 C CB -1.046 25.862 27.740 -1.386 0.000 2.017 182 C HN 0.507 nan 8.230 nan 0.000 0.481 183 Y N 1.009 120.840 120.300 -0.782 0.000 2.145 183 Y HA -0.198 4.352 4.550 0.000 0.000 0.286 183 Y C 2.512 178.403 175.900 -0.016 0.000 1.145 183 Y CA 1.816 59.751 58.100 -0.275 0.000 1.148 183 Y CB -0.368 38.071 38.460 -0.035 0.000 0.981 183 Y HN 0.236 nan 8.280 nan 0.000 0.507 184 M N -0.595 119.103 119.600 0.164 0.000 2.175 184 M HA -0.192 4.288 4.480 0.000 0.000 0.264 184 M C 1.660 178.142 176.300 0.303 0.000 1.063 184 M CA 1.430 56.867 55.300 0.229 0.000 1.119 184 M CB -0.257 32.429 32.600 0.143 0.000 1.377 184 M HN 0.261 nan 8.290 nan 0.000 0.415 185 L N -0.062 121.222 121.223 0.101 0.000 2.591 185 L HA 0.039 4.379 4.340 0.000 0.000 0.228 185 L C 0.443 177.322 176.870 0.016 0.000 1.133 185 L CA -0.209 54.710 54.840 0.130 0.000 0.880 185 L CB -0.813 41.231 42.059 -0.026 0.000 1.033 185 L HN 0.423 nan 8.230 nan 0.000 0.450 186 N N 2.096 120.665 118.700 -0.217 0.000 2.707 186 N HA -0.271 4.469 4.740 0.000 0.000 0.253 186 N C -0.471 174.913 175.510 -0.210 0.000 0.998 186 N CA 0.445 53.235 53.050 -0.434 0.000 0.751 186 N CB -0.873 37.033 38.487 -0.969 0.000 0.920 186 N HN 0.456 nan 8.380 nan 0.000 0.539 187 N N -0.095 118.446 118.700 -0.264 0.000 2.572 187 N HA 0.172 4.912 4.740 0.000 0.000 0.287 187 N C -0.783 174.585 175.510 -0.237 0.000 1.136 187 N CA -0.543 52.425 53.050 -0.137 0.000 0.900 187 N CB 0.098 38.523 38.487 -0.104 0.000 1.484 187 N HN 0.268 nan 8.380 nan 0.000 0.526 188 W N 1.917 123.215 121.300 -0.004 0.000 3.400 188 W HA 0.157 4.817 4.660 0.000 0.000 0.347 188 W C 1.834 178.368 176.519 0.025 0.000 1.218 188 W CA -0.131 57.225 57.345 0.018 0.000 1.837 188 W CB 0.097 29.573 29.460 0.026 0.000 1.067 188 W HN 0.648 nan 8.180 nan 0.000 0.701 189 S N -1.277 114.501 115.700 0.130 0.000 2.603 189 S HA 0.002 4.472 4.470 0.000 0.000 0.229 189 S C 1.928 176.574 174.600 0.077 0.000 0.972 189 S CA 0.835 59.092 58.200 0.095 0.000 0.935 189 S CB -0.405 62.824 63.200 0.047 0.000 0.769 189 S HN 0.265 nan 8.310 nan 0.000 0.536 190 G N 1.326 110.160 108.800 0.056 0.000 2.650 190 G HA2 0.323 4.283 3.960 0.000 0.000 0.214 190 G HA3 0.323 4.283 3.960 0.000 0.000 0.214 190 G C 0.365 175.362 174.900 0.162 0.000 1.136 190 G CA 0.518 45.650 45.100 0.053 0.000 0.789 190 G HN 0.743 nan 8.290 nan 0.000 0.536 191 M N -2.269 117.463 119.600 0.220 0.000 2.644 191 M HA 0.482 4.962 4.480 0.000 0.000 0.273 191 M C -2.152 174.280 176.300 0.220 0.000 1.253 191 M CA -1.031 54.456 55.300 0.312 0.000 0.852 191 M CB 2.178 35.080 32.600 0.503 0.000 1.708 191 M HN -0.187 nan 8.290 nan 0.000 0.471 192 D N 2.191 122.684 120.400 0.155 0.000 2.479 192 D HA 0.243 4.883 4.640 0.000 0.000 0.218 192 D C 0.611 176.980 176.300 0.116 0.000 1.131 192 D CA -0.158 53.897 54.000 0.093 0.000 0.916 192 D CB 0.949 41.764 40.800 0.025 0.000 1.022 192 D HN 0.868 nan 8.370 nan 0.000 0.515 193 M N 3.420 123.101 119.600 0.134 0.000 2.106 193 M HA -0.232 4.248 4.480 0.000 0.000 0.259 193 M C 1.878 178.207 176.300 0.048 0.000 1.068 193 M CA 1.587 56.950 55.300 0.104 0.000 1.100 193 M CB 0.139 32.757 32.600 0.029 0.000 1.351 193 M HN 0.245 nan 8.290 nan 0.000 0.404 194 K N 0.053 120.468 120.400 0.024 0.000 2.063 194 K HA -0.202 4.118 4.320 0.000 0.000 0.208 194 K C 1.845 178.455 176.600 0.018 0.000 1.048 194 K CA 1.593 57.882 56.287 0.004 0.000 0.928 194 K CB 0.001 32.499 32.500 -0.003 0.000 0.713 194 K HN 0.355 nan 8.250 nan 0.000 0.442 195 K N -0.286 120.132 120.400 0.030 0.000 2.103 195 K HA -0.047 4.273 4.320 0.000 0.000 0.204 195 K C 2.100 178.747 176.600 0.079 0.000 1.052 195 K CA 0.909 57.217 56.287 0.034 0.000 0.945 195 K CB -0.018 32.482 32.500 -0.000 0.000 0.722 195 K HN 0.189 nan 8.250 nan 0.000 0.443 196 A N 1.590 124.475 122.820 0.108 0.000 1.877 196 A HA -0.149 4.171 4.320 0.000 0.000 0.216 196 A C 2.070 179.753 177.584 0.165 0.000 1.186 196 A CA 1.254 53.403 52.037 0.185 0.000 0.620 196 A CB -0.567 18.593 19.000 0.265 0.000 0.822 196 A HN 0.166 nan 8.150 nan 0.000 0.443 197 I N -0.533 120.085 120.570 0.080 0.000 2.286 197 I HA -0.231 3.939 4.170 0.000 0.000 0.248 197 I C 2.843 178.957 176.117 -0.004 0.000 1.115 197 I CA 1.523 62.827 61.300 0.006 0.000 1.392 197 I CB -0.248 37.718 38.000 -0.057 0.000 1.065 197 I HN 0.440 nan 8.210 nan 0.000 0.418 198 S N 0.150 115.865 115.700 0.025 0.000 2.368 198 S HA -0.271 4.199 4.470 0.000 0.000 0.225 198 S C 2.185 176.815 174.600 0.050 0.000 1.030 198 S CA 1.331 59.542 58.200 0.017 0.000 0.999 198 S CB -0.446 62.771 63.200 0.029 0.000 0.844 198 S HN 0.497 nan 8.310 nan 0.000 0.459 199 Y N 1.811 122.112 120.300 0.002 0.000 2.181 199 Y HA -0.056 4.494 4.550 0.000 0.000 0.288 199 Y C 1.929 177.842 175.900 0.023 0.000 1.146 199 Y CA 1.846 59.956 58.100 0.017 0.000 1.164 199 Y CB -0.381 38.103 38.460 0.040 0.000 0.982 199 Y HN 0.304 nan 8.280 nan 0.000 0.515 200 I N -0.234 120.408 120.570 0.120 0.000 2.226 200 I HA -0.336 3.834 4.170 0.000 0.000 0.245 200 I C 2.563 178.684 176.117 0.008 0.000 1.100 200 I CA 1.471 62.808 61.300 0.061 0.000 1.374 200 I CB -0.461 37.597 38.000 0.097 0.000 1.057 200 I HN 0.167 nan 8.210 nan 0.000 0.413 201 R N 0.272 120.749 120.500 -0.040 0.000 2.073 201 R HA -0.126 4.215 4.340 0.000 0.000 0.234 201 R C 2.603 178.898 176.300 -0.009 0.000 1.134 201 R CA 1.343 57.436 56.100 -0.012 0.000 0.952 201 R CB -0.309 29.934 30.300 -0.095 0.000 0.850 201 R HN 0.207 nan 8.270 nan 0.000 0.433 202 R N 0.259 120.705 120.500 -0.090 0.000 2.241 202 R HA -0.042 4.298 4.340 0.000 0.000 0.224 202 R C 2.276 178.465 176.300 -0.184 0.000 1.101 202 R CA 1.245 57.269 56.100 -0.127 0.000 0.995 202 R CB -0.809 29.401 30.300 -0.151 0.000 0.870 202 R HN 0.543 nan 8.270 nan 0.000 0.463 203 S N -0.529 115.032 115.700 -0.232 0.000 2.562 203 S HA 0.103 4.573 4.470 0.000 0.000 0.221 203 S C 0.897 175.397 174.600 -0.166 0.000 0.975 203 S CA -0.065 57.991 58.200 -0.241 0.000 0.918 203 S CB -0.302 62.731 63.200 -0.277 0.000 0.772 203 S HN 0.488 nan 8.310 nan 0.000 0.531 204 M N 3.151 122.686 119.600 -0.108 0.000 2.246 204 M HA 0.223 4.703 4.480 0.000 0.000 0.350 204 M C 0.346 176.553 176.300 -0.156 0.000 1.406 204 M CA 0.038 55.254 55.300 -0.141 0.000 1.089 204 M CB 0.703 33.265 32.600 -0.062 0.000 1.782 204 M HN 0.321 nan 8.290 nan 0.000 0.457 205 S N 3.597 119.146 115.700 -0.252 0.000 2.681 205 S HA 0.210 4.680 4.470 0.000 0.000 0.270 205 S C 0.716 175.181 174.600 -0.225 0.000 1.209 205 S CA -0.431 57.618 58.200 -0.252 0.000 0.988 205 S CB 0.493 63.438 63.200 -0.425 0.000 1.006 205 S HN 0.754 nan 8.310 nan 0.000 0.558 206 Y N 0.620 120.880 120.300 -0.067 0.000 2.421 206 Y HA 0.084 4.634 4.550 0.000 0.000 0.292 206 Y C 1.458 177.344 175.900 -0.023 0.000 1.136 206 Y CA 1.213 59.291 58.100 -0.037 0.000 1.255 206 Y CB -0.746 37.703 38.460 -0.018 0.000 0.991 206 Y HN 0.636 nan 8.280 nan 0.000 0.552 207 D N -1.096 118.861 120.400 -0.740 0.000 2.328 207 D HA -0.044 4.596 4.640 0.000 0.000 0.226 207 D C 0.260 176.453 176.300 -0.178 0.000 1.066 207 D CA 0.438 54.233 54.000 -0.342 0.000 0.861 207 D CB -0.619 39.978 40.800 -0.339 0.000 0.912 207 D HN 0.448 nan 8.370 nan 0.000 0.521 208 N N -1.109 117.417 118.700 -0.290 0.000 2.984 208 N HA -0.099 4.641 4.740 0.000 0.000 0.227 208 N C 0.708 175.901 175.510 -0.528 0.000 0.903 208 N CA 1.190 54.069 53.050 -0.285 0.000 0.995 208 N CB -1.512 36.913 38.487 -0.102 0.000 1.065 208 N HN 0.488 nan 8.380 nan 0.000 0.585 209 G N 0.094 108.261 108.800 -1.054 0.000 2.557 209 G HA2 0.591 4.551 3.960 0.000 0.000 0.292 209 G HA3 0.591 4.551 3.960 0.000 0.000 0.292 209 G C -0.254 174.117 174.900 -0.882 0.000 1.237 209 G CA -0.351 43.801 45.100 -1.580 0.000 0.978 209 G HN 0.028 nan 8.290 nan 0.000 0.498 210 L N 0.323 121.116 121.223 -0.717 0.000 2.317 210 L HA 0.685 5.025 4.340 0.000 0.000 0.281 210 L C 0.785 177.467 176.870 -0.313 0.000 1.024 210 L CA -0.565 54.044 54.840 -0.386 0.000 0.810 210 L CB 1.185 43.107 42.059 -0.228 0.000 1.240 210 L HN 0.707 nan 8.230 nan 0.000 0.427 211 A N 2.088 124.774 122.820 -0.224 0.000 2.263 211 A HA 0.510 4.830 4.320 0.000 0.000 0.318 211 A C 0.759 178.283 177.584 -0.101 0.000 1.111 211 A CA -0.342 51.607 52.037 -0.146 0.000 0.901 211 A CB 0.631 19.552 19.000 -0.132 0.000 1.280 211 A HN 0.692 nan 8.150 nan 0.000 0.503 212 Q N -0.625 119.130 119.800 -0.075 0.000 2.291 212 Q HA 0.098 4.438 4.340 0.000 0.000 0.205 212 Q C 0.728 176.751 176.000 0.039 0.000 0.970 212 Q CA 1.346 57.129 55.803 -0.035 0.000 0.876 212 Q CB 0.012 28.710 28.738 -0.066 0.000 0.935 212 Q HN 0.910 nan 8.270 nan 0.000 0.455 213 G N -1.374 107.396 108.800 -0.049 0.000 2.576 213 G HA2 0.501 4.461 3.960 0.000 0.000 0.290 213 G HA3 0.501 4.461 3.960 0.000 0.000 0.290 213 G C -1.539 173.262 174.900 -0.164 0.000 1.442 213 G CA -0.403 44.623 45.100 -0.123 0.000 0.792 213 G HN 0.128 nan 8.290 nan 0.000 0.491 214 A N -0.696 121.994 122.820 -0.216 0.000 2.584 214 A HA 0.508 4.828 4.320 0.000 0.000 0.239 214 A C 1.783 179.331 177.584 -0.061 0.000 1.043 214 A CA 1.873 53.828 52.037 -0.137 0.000 0.756 214 A CB -0.418 18.512 19.000 -0.117 0.000 0.963 214 A HN 2.860 nan 8.150 nan 0.000 0.511 215 G N 0.997 109.772 108.800 -0.041 0.000 2.253 215 G HA2 -0.191 3.769 3.960 0.000 0.000 0.251 215 G HA3 -0.191 3.769 3.960 0.000 0.000 0.251 215 G C 0.164 175.069 174.900 0.009 0.000 0.998 215 G CA 0.372 45.472 45.100 -0.001 0.000 0.621 215 G HN 0.780 nan 8.290 nan 0.000 0.524 216 L N 1.278 122.490 121.223 -0.018 0.000 2.466 216 L HA 0.476 4.816 4.340 0.000 0.000 0.257 216 L C 1.059 177.917 176.870 -0.020 0.000 1.189 216 L CA -0.642 54.192 54.840 -0.011 0.000 0.813 216 L CB 0.688 42.733 42.059 -0.023 0.000 1.118 216 L HN 0.460 nan 8.230 nan 0.000 0.471 217 E N 0.488 120.689 120.200 0.003 0.000 2.417 217 E HA 0.074 4.424 4.350 0.000 0.000 0.261 217 E C -0.261 176.317 176.600 -0.036 0.000 1.000 217 E CA -0.360 56.041 56.400 0.003 0.000 0.919 217 E CB 0.629 30.359 29.700 0.049 0.000 0.955 217 E HN 0.638 nan 8.360 nan 0.000 0.455 218 S N 4.542 120.162 115.700 -0.134 0.000 2.568 218 S HA 0.025 4.495 4.470 0.000 0.000 0.282 218 S C -0.180 174.396 174.600 -0.039 0.000 1.338 218 S CA -0.411 57.625 58.200 -0.274 0.000 1.045 218 S CB 0.880 63.667 63.200 -0.689 0.000 0.873 218 S HN 0.663 nan 8.310 nan 0.000 0.516 219 H N 0.526 119.486 119.070 -0.184 0.000 2.996 219 H HA 0.365 4.921 4.556 0.000 0.000 0.368 219 H C 1.122 176.515 175.328 0.108 0.000 1.185 219 H CA -0.005 56.062 56.048 0.033 0.000 1.160 219 H CB 1.602 31.343 29.762 -0.036 0.000 1.820 219 H HN 0.726 nan 8.280 nan 0.000 0.547 220 G N 1.772 110.567 108.800 -0.008 0.000 2.442 220 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 220 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 220 G C 1.446 176.512 174.900 0.277 0.000 1.141 220 G CA 0.849 46.070 45.100 0.202 0.000 0.763 220 G HN 0.653 nan 8.290 nan 0.000 0.554 221 G N 0.940 109.978 108.800 0.397 0.000 2.404 221 G HA2 -0.154 3.806 3.960 0.000 0.000 0.215 221 G HA3 -0.154 3.806 3.960 0.000 0.000 0.215 221 G C 2.224 177.097 174.900 -0.045 0.000 1.174 221 G CA 1.807 46.853 45.100 -0.090 0.000 0.780 221 G HN 0.640 nan 8.290 nan 0.000 0.537 222 S N 0.007 115.729 115.700 0.036 0.000 2.406 222 S HA -0.076 4.394 4.470 0.000 0.000 0.228 222 S C 2.221 176.813 174.600 -0.012 0.000 1.020 222 S CA 1.795 59.979 58.200 -0.027 0.000 0.965 222 S CB -0.623 62.543 63.200 -0.055 0.000 0.798 222 S HN 0.251 nan 8.310 nan 0.000 0.488 223 T N 2.015 116.570 114.554 0.002 0.000 2.746 223 T HA 0.011 4.361 4.350 0.000 0.000 0.267 223 T C 1.264 175.982 174.700 0.029 0.000 1.039 223 T CA 1.398 63.477 62.100 -0.036 0.000 1.142 223 T CB -0.529 68.309 68.868 -0.050 0.000 0.866 223 T HN 0.505 nan 8.240 nan 0.000 0.444 224 F N 1.414 121.361 119.950 -0.005 0.000 2.102 224 F HA -0.138 4.389 4.527 0.000 0.000 0.298 224 F C 2.402 178.160 175.800 -0.069 0.000 1.105 224 F CA 0.683 58.674 58.000 -0.015 0.000 1.239 224 F CB -0.840 38.206 39.000 0.076 0.000 0.991 224 F HN 0.142 nan 8.300 nan 0.000 0.474 225 C N 1.017 120.204 119.300 -0.187 0.000 2.413 225 C HA -0.091 4.369 4.460 0.000 0.000 0.276 225 C C 3.086 178.003 174.990 -0.122 0.000 1.248 225 C CA 1.242 60.102 59.018 -0.263 0.000 1.742 225 C CB -1.961 25.761 27.740 -0.030 0.000 2.017 225 C HN 0.749 nan 8.230 nan 0.000 0.481 226 G N 0.674 109.440 108.800 -0.056 0.000 2.434 226 G HA2 -0.108 3.852 3.960 0.000 0.000 0.214 226 G HA3 -0.108 3.852 3.960 0.000 0.000 0.214 226 G C 1.381 176.289 174.900 0.013 0.000 1.202 226 G CA 0.732 45.848 45.100 0.027 0.000 0.788 226 G HN 0.343 nan 8.290 nan 0.000 0.539 227 I N 2.115 122.660 120.570 -0.040 0.000 2.163 227 I HA -0.168 4.002 4.170 0.000 0.000 0.243 227 I C 3.281 179.343 176.117 -0.090 0.000 1.085 227 I CA 1.334 62.620 61.300 -0.023 0.000 1.347 227 I CB -1.390 36.584 38.000 -0.044 0.000 1.044 227 I HN 0.264 nan 8.210 nan 0.000 0.408 228 A N 0.206 122.848 122.820 -0.298 0.000 1.933 228 A HA -0.169 4.151 4.320 0.000 0.000 0.218 228 A C 2.596 180.182 177.584 0.004 0.000 1.175 228 A CA 2.035 53.914 52.037 -0.263 0.000 0.628 228 A CB -0.706 17.823 19.000 -0.786 0.000 0.814 228 A HN 0.427 nan 8.150 nan 0.000 0.444 229 S N -0.073 115.666 115.700 0.064 0.000 2.356 229 S HA -0.101 4.369 4.470 0.000 0.000 0.223 229 S C 1.836 176.496 174.600 0.100 0.000 1.032 229 S CA 1.476 59.760 58.200 0.141 0.000 1.005 229 S CB -0.474 62.819 63.200 0.156 0.000 0.867 229 S HN 0.526 nan 8.310 nan 0.000 0.449 230 L N 0.736 121.993 121.223 0.057 0.000 2.042 230 L HA -0.181 4.159 4.340 0.000 0.000 0.210 230 L C 2.590 179.472 176.870 0.021 0.000 1.076 230 L CA 0.933 55.786 54.840 0.021 0.000 0.749 230 L CB -0.797 41.280 42.059 0.031 0.000 0.893 230 L HN 0.425 nan 8.230 nan 0.000 0.432 231 C N -0.635 118.689 119.300 0.041 0.000 2.429 231 C HA -0.133 4.327 4.460 0.000 0.000 0.277 231 C C 2.653 177.694 174.990 0.084 0.000 1.262 231 C CA 0.088 59.137 59.018 0.052 0.000 1.733 231 C CB -0.738 27.028 27.740 0.044 0.000 2.010 231 C HN 0.395 nan 8.230 nan 0.000 0.483 232 L N 0.260 121.544 121.223 0.101 0.000 2.131 232 L HA -0.080 4.260 4.340 0.000 0.000 0.210 232 L C 2.359 179.423 176.870 0.324 0.000 1.092 232 L CA 1.818 56.766 54.840 0.179 0.000 0.759 232 L CB -0.700 41.468 42.059 0.182 0.000 0.903 232 L HN 0.362 nan 8.230 nan 0.000 0.435 233 M N -1.590 118.030 119.600 0.033 0.000 2.506 233 M HA 0.158 4.638 4.480 0.000 0.000 0.260 233 M C 1.170 177.333 176.300 -0.227 0.000 1.104 233 M CA 0.776 55.827 55.300 -0.416 0.000 1.112 233 M CB -0.167 32.163 32.600 -0.450 0.000 1.401 233 M HN 0.345 nan 8.290 nan 0.000 0.473 234 G N 2.049 110.822 108.800 -0.046 0.000 2.298 234 G HA2 -0.253 3.707 3.960 0.000 0.000 0.287 234 G HA3 -0.253 3.707 3.960 0.000 0.000 0.287 234 G C 0.237 175.105 174.900 -0.054 0.000 1.075 234 G CA 0.174 45.266 45.100 -0.014 0.000 0.960 234 G HN 0.524 nan 8.290 nan 0.000 0.502 235 K N -0.682 119.682 120.400 -0.060 0.000 2.644 235 K HA 0.311 4.631 4.320 0.000 0.000 0.198 235 K C 1.962 178.534 176.600 -0.047 0.000 1.113 235 K CA -0.523 55.722 56.287 -0.070 0.000 1.073 235 K CB 0.254 32.684 32.500 -0.118 0.000 0.811 235 K HN 0.330 nan 8.250 nan 0.000 0.508 236 L N 1.374 122.598 121.223 0.002 0.000 1.970 236 L HA -0.231 4.109 4.340 0.000 0.000 0.212 236 L C 1.849 178.758 176.870 0.064 0.000 1.071 236 L CA 1.843 56.718 54.840 0.057 0.000 0.751 236 L CB 0.029 42.138 42.059 0.083 0.000 0.889 236 L HN 0.326 nan 8.230 nan 0.000 0.432 237 E N -0.295 119.934 120.200 0.047 0.000 2.085 237 E HA -0.310 4.040 4.350 0.000 0.000 0.194 237 E C 1.911 178.522 176.600 0.018 0.000 0.994 237 E CA 1.468 57.896 56.400 0.046 0.000 0.801 237 E CB -0.198 29.522 29.700 0.033 0.000 0.743 237 E HN 0.584 nan 8.360 nan 0.000 0.453 238 E N 0.512 120.701 120.200 -0.018 0.000 2.106 238 E HA -0.113 4.237 4.350 0.000 0.000 0.192 238 E C 2.043 178.591 176.600 -0.088 0.000 0.984 238 E CA 0.783 57.156 56.400 -0.045 0.000 0.806 238 E CB 0.333 29.998 29.700 -0.058 0.000 0.750 238 E HN 0.013 nan 8.360 nan 0.000 0.458 239 V N 0.188 120.010 119.914 -0.154 0.000 2.446 239 V HA -0.011 4.109 4.120 0.000 0.000 0.244 239 V C 0.694 176.547 176.094 -0.402 0.000 1.039 239 V CA 0.973 63.071 62.300 -0.336 0.000 1.045 239 V CB -0.145 31.363 31.823 -0.526 0.000 0.681 239 V HN 0.096 nan 8.190 nan 0.000 0.459 240 F N 0.482 120.425 119.950 -0.013 0.000 2.469 240 F HA 0.486 5.013 4.527 0.000 0.000 0.332 240 F C 0.848 176.645 175.800 -0.005 0.000 1.103 240 F CA -0.739 57.254 58.000 -0.012 0.000 0.979 240 F CB 1.563 40.555 39.000 -0.013 0.000 1.137 240 F HN -0.023 nan 8.300 nan 0.000 0.463 241 S N 1.002 116.829 115.700 0.211 0.000 2.614 241 S HA 0.076 4.546 4.470 0.000 0.000 0.265 241 S C 1.115 175.775 174.600 0.100 0.000 1.303 241 S CA -0.448 57.820 58.200 0.113 0.000 1.000 241 S CB 1.282 64.532 63.200 0.083 0.000 0.935 241 S HN 0.881 nan 8.310 nan 0.000 0.551 242 E N 0.703 120.942 120.200 0.066 0.000 2.085 242 E HA -0.214 4.136 4.350 0.000 0.000 0.194 242 E C 2.064 178.686 176.600 0.038 0.000 0.994 242 E CA 1.507 57.937 56.400 0.051 0.000 0.801 242 E CB -0.220 29.503 29.700 0.038 0.000 0.743 242 E HN 0.584 nan 8.360 nan 0.000 0.453 243 K N 0.481 120.902 120.400 0.035 0.000 2.057 243 K HA -0.181 4.139 4.320 0.000 0.000 0.207 243 K C 1.859 178.465 176.600 0.010 0.000 1.049 243 K CA 1.874 58.175 56.287 0.023 0.000 0.931 243 K CB -0.392 32.122 32.500 0.024 0.000 0.714 243 K HN 0.430 nan 8.250 nan 0.000 0.440 244 E N 0.110 120.323 120.200 0.022 0.000 2.051 244 E HA -0.093 4.257 4.350 0.000 0.000 0.192 244 E C 2.239 178.772 176.600 -0.112 0.000 0.991 244 E CA 1.730 58.113 56.400 -0.029 0.000 0.799 244 E CB -0.236 29.507 29.700 0.071 0.000 0.748 244 E HN 0.337 nan 8.360 nan 0.000 0.449 245 L N 1.338 122.531 121.223 -0.049 0.000 2.079 245 L HA -0.210 4.130 4.340 0.000 0.000 0.210 245 L C 2.025 178.875 176.870 -0.034 0.000 1.081 245 L CA 0.690 55.494 54.840 -0.059 0.000 0.752 245 L CB -0.423 41.652 42.059 0.027 0.000 0.896 245 L HN 0.163 nan 8.230 nan 0.000 0.433 246 N N 0.209 118.904 118.700 -0.009 0.000 2.188 246 N HA -0.134 4.606 4.740 0.000 0.000 0.184 246 N C 1.909 177.421 175.510 0.004 0.000 1.018 246 N CA 1.121 54.175 53.050 0.007 0.000 0.858 246 N CB -0.190 38.303 38.487 0.010 0.000 0.989 246 N HN 0.344 nan 8.380 nan 0.000 0.426 247 R N 0.474 120.963 120.500 -0.018 0.000 2.075 247 R HA 0.112 4.452 4.340 0.000 0.000 0.232 247 R C 2.247 178.548 176.300 0.001 0.000 1.126 247 R CA 0.723 56.818 56.100 -0.009 0.000 0.963 247 R CB -0.231 30.048 30.300 -0.035 0.000 0.858 247 R HN 0.225 nan 8.270 nan 0.000 0.435 248 I N 1.057 121.583 120.570 -0.073 0.000 2.252 248 I HA -0.278 3.892 4.170 0.000 0.000 0.245 248 I C 2.082 178.244 176.117 0.075 0.000 1.102 248 I CA 1.424 62.683 61.300 -0.069 0.000 1.385 248 I CB -0.239 37.618 38.000 -0.239 0.000 1.064 248 I HN 0.120 nan 8.210 nan 0.000 0.414 249 K N 0.445 120.876 120.400 0.051 0.000 2.032 249 K HA -0.251 4.069 4.320 0.000 0.000 0.209 249 K C 2.254 178.921 176.600 0.112 0.000 1.048 249 K CA 1.532 57.875 56.287 0.093 0.000 0.927 249 K CB -0.248 32.298 32.500 0.076 0.000 0.712 249 K HN 0.062 nan 8.250 nan 0.000 0.441 250 R N 0.523 121.078 120.500 0.091 0.000 2.091 250 R HA -0.190 4.150 4.340 0.000 0.000 0.238 250 R C 1.857 178.217 176.300 0.100 0.000 1.136 250 R CA 1.715 57.861 56.100 0.076 0.000 0.959 250 R CB -0.784 29.551 30.300 0.059 0.000 0.856 250 R HN 0.408 nan 8.270 nan 0.000 0.437 251 W N -0.213 121.071 121.300 -0.028 0.000 2.355 251 W HA -0.207 4.453 4.660 0.000 0.000 0.309 251 W C 2.043 178.564 176.519 0.004 0.000 1.206 251 W CA 1.696 59.022 57.345 -0.032 0.000 1.284 251 W CB -0.567 28.849 29.460 -0.073 0.000 1.145 251 W HN 0.151 nan 8.180 nan 0.000 0.502 252 C N -0.141 119.350 119.300 0.319 0.000 2.436 252 C HA -0.199 4.261 4.460 0.000 0.000 0.277 252 C C 2.677 177.712 174.990 0.075 0.000 1.241 252 C CA 1.228 60.374 59.018 0.214 0.000 1.721 252 C CB -1.528 26.372 27.740 0.267 0.000 2.043 252 C HN 0.445 nan 8.230 nan 0.000 0.472 253 I N 0.455 121.080 120.570 0.092 0.000 2.756 253 I HA -0.139 4.032 4.170 0.000 0.000 0.262 253 I C 1.993 178.095 176.117 -0.024 0.000 1.225 253 I CA 1.072 62.426 61.300 0.090 0.000 1.472 253 I CB -0.071 37.987 38.000 0.096 0.000 1.094 253 I HN 0.273 nan 8.210 nan 0.000 0.454 254 M N -0.241 119.289 119.600 -0.116 0.000 2.619 254 M HA -0.008 4.472 4.480 0.000 0.000 0.251 254 M C 1.719 177.867 176.300 -0.253 0.000 1.106 254 M CA 0.841 56.028 55.300 -0.188 0.000 1.086 254 M CB -0.836 31.629 32.600 -0.224 0.000 1.465 254 M HN 0.156 nan 8.290 nan 0.000 0.506 255 R N 0.360 120.715 120.500 -0.241 0.000 2.235 255 R HA 0.014 4.355 4.340 0.000 0.000 0.213 255 R C 0.893 176.924 176.300 -0.448 0.000 1.059 255 R CA 0.199 56.161 56.100 -0.230 0.000 0.997 255 R CB -0.668 29.609 30.300 -0.038 0.000 0.884 255 R HN 0.540 nan 8.270 nan 0.000 0.462 256 Q N 1.234 120.763 119.800 -0.452 0.000 2.293 256 Q HA -0.007 4.333 4.340 0.000 0.000 0.263 256 Q C 0.240 175.900 176.000 -0.568 0.000 1.002 256 Q CA 0.051 55.368 55.803 -0.810 0.000 0.910 256 Q CB 0.884 29.115 28.738 -0.845 0.000 1.185 256 Q HN -0.023 nan 8.270 nan 0.000 0.401 257 Q N 2.819 122.277 119.800 -0.569 0.000 2.442 257 Q HA 0.105 4.445 4.340 0.000 0.000 0.228 257 Q C 0.205 176.031 176.000 -0.290 0.000 0.902 257 Q CA 1.402 56.969 55.803 -0.393 0.000 0.933 257 Q CB 0.600 29.102 28.738 -0.392 0.000 1.071 257 Q HN 0.885 nan 8.270 nan 0.000 0.562 258 N N -1.135 117.373 118.700 -0.321 0.000 2.587 258 N HA 0.039 4.779 4.740 0.000 0.000 0.341 258 N C 0.757 176.141 175.510 -0.211 0.000 0.585 258 N CA 0.438 53.380 53.050 -0.181 0.000 1.401 258 N CB -0.281 38.162 38.487 -0.073 0.000 1.700 258 N HN 0.088 nan 8.380 nan 0.000 1.698 259 G N -1.025 107.592 108.800 -0.306 0.000 2.606 259 G HA2 0.568 4.528 3.960 0.000 0.000 0.262 259 G HA3 0.568 4.528 3.960 0.000 0.000 0.262 259 G C -1.422 173.267 174.900 -0.351 0.000 1.394 259 G CA -0.324 44.636 45.100 -0.234 0.000 1.044 259 G HN 0.136 nan 8.290 nan 0.000 0.553 260 Y N -0.672 119.558 120.300 -0.117 0.000 2.485 260 Y HA 0.448 4.998 4.550 0.000 0.000 0.345 260 Y C 0.705 176.622 175.900 0.028 0.000 0.998 260 Y CA -0.850 57.209 58.100 -0.069 0.000 1.059 260 Y CB 1.732 40.233 38.460 0.069 0.000 1.234 260 Y HN 0.719 nan 8.280 nan 0.000 0.461 261 H N -1.535 117.538 119.070 0.004 0.000 2.615 261 H HA 0.639 5.195 4.556 0.000 0.000 0.346 261 H C 0.391 175.381 175.328 -0.562 0.000 1.200 261 H CA -0.901 55.056 56.048 -0.152 0.000 1.264 261 H CB 1.957 31.625 29.762 -0.156 0.000 1.699 261 H HN 0.809 nan 8.280 nan 0.000 0.567 262 G N -0.126 108.126 108.800 -0.912 0.000 2.744 262 G HA2 0.142 4.102 3.960 0.000 0.000 0.211 262 G HA3 0.142 4.102 3.960 0.000 0.000 0.211 262 G C 0.362 174.772 174.900 -0.818 0.000 1.146 262 G CA -0.248 44.015 45.100 -1.395 0.000 0.787 262 G HN 0.535 nan 8.290 nan 0.000 0.534 263 R N -0.698 119.354 120.500 -0.748 0.000 2.680 263 R HA 0.330 4.670 4.340 0.000 0.000 0.269 263 R C -3.145 172.636 176.300 -0.865 0.000 1.026 263 R CA -1.862 53.919 56.100 -0.533 0.000 0.889 263 R CB 1.778 31.927 30.300 -0.252 0.000 1.241 263 R HN -0.149 nan 8.270 nan 0.000 0.463 264 P HA -0.015 nan 4.420 nan 0.000 0.265 264 P C -0.632 176.504 177.300 -0.274 0.000 1.187 264 P CA 0.580 63.459 63.100 -0.369 0.000 0.766 264 P CB 0.257 31.873 31.700 -0.140 0.000 0.820 265 N N -1.297 117.327 118.700 -0.127 0.000 2.741 265 N HA -0.185 4.555 4.740 0.000 0.000 0.251 265 N C -0.317 175.157 175.510 -0.059 0.000 1.112 265 N CA 0.907 53.928 53.050 -0.050 0.000 0.750 265 N CB -0.601 37.865 38.487 -0.034 0.000 1.119 265 N HN 0.387 nan 8.380 nan 0.000 0.561 266 K N 0.446 120.770 120.400 -0.128 0.000 2.208 266 K HA 0.453 4.773 4.320 0.000 0.000 0.247 266 K C -2.395 174.259 176.600 0.091 0.000 0.953 266 K CA -1.683 54.574 56.287 -0.051 0.000 0.837 266 K CB 1.429 33.848 32.500 -0.135 0.000 1.131 266 K HN -0.107 nan 8.250 nan 0.000 0.431 267 P HA 0.001 nan 4.420 nan 0.000 0.271 267 P C 0.177 177.605 177.300 0.213 0.000 1.218 267 P CA -0.417 62.740 63.100 0.096 0.000 0.780 267 P CB 0.469 32.160 31.700 -0.015 0.000 0.901 268 V N -0.885 119.089 119.914 0.101 0.000 2.963 268 V HA 0.357 4.477 4.120 0.000 0.000 0.306 268 V C 0.082 176.389 176.094 0.356 0.000 1.077 268 V CA 0.029 62.375 62.300 0.076 0.000 1.124 268 V CB 0.454 32.054 31.823 -0.371 0.000 0.987 268 V HN 0.633 nan 8.190 nan 0.000 0.487 269 D N 1.555 122.211 120.400 0.427 0.000 2.970 269 D HA 0.303 4.943 4.640 0.000 0.000 0.230 269 D C 0.773 177.352 176.300 0.466 0.000 1.276 269 D CA -0.029 54.282 54.000 0.519 0.000 0.910 269 D CB 2.259 43.391 40.800 0.553 0.000 1.590 269 D HN 0.628 nan 8.370 nan 0.000 0.551 270 T N 1.902 116.766 114.554 0.517 0.000 2.649 270 T HA -0.226 4.124 4.350 0.000 0.000 0.268 270 T C 2.007 176.825 174.700 0.196 0.000 1.036 270 T CA 2.373 64.728 62.100 0.426 0.000 1.157 270 T CB -0.627 68.437 68.868 0.327 0.000 0.861 270 T HN 0.781 nan 8.240 nan 0.000 0.445 271 C N 0.317 119.690 119.300 0.121 0.000 2.409 271 C HA -0.055 4.405 4.460 0.000 0.000 0.284 271 C C 2.185 176.933 174.990 -0.404 0.000 1.354 271 C CA -0.199 58.668 59.018 -0.253 0.000 1.787 271 C CB -2.123 25.363 27.740 -0.424 0.000 1.900 271 C HN 0.493 nan 8.230 nan 0.000 0.520 272 Y N 1.871 122.271 120.300 0.166 0.000 2.571 272 Y HA 0.032 4.582 4.550 0.000 0.000 0.294 272 Y C 2.797 178.652 175.900 -0.076 0.000 1.141 272 Y CA 1.230 59.428 58.100 0.163 0.000 1.308 272 Y CB -0.663 37.941 38.460 0.240 0.000 1.002 272 Y HN 0.338 nan 8.280 nan 0.000 0.551 273 S N -0.431 115.283 115.700 0.024 0.000 2.442 273 S HA -0.153 4.317 4.470 0.000 0.000 0.236 273 S C 1.641 176.053 174.600 -0.314 0.000 1.007 273 S CA 1.099 59.221 58.200 -0.131 0.000 0.965 273 S CB -0.353 62.876 63.200 0.049 0.000 0.773 273 S HN 0.541 nan 8.310 nan 0.000 0.504 274 F N 0.083 119.755 119.950 -0.463 0.000 2.298 274 F HA 0.209 4.736 4.527 0.000 0.000 0.282 274 F C 1.565 177.021 175.800 -0.573 0.000 1.045 274 F CA 0.027 57.673 58.000 -0.591 0.000 1.280 274 F CB -0.702 37.874 39.000 -0.705 0.000 1.114 274 F HN 0.153 nan 8.300 nan 0.000 0.546 275 W N 0.579 121.523 121.300 -0.593 0.000 2.301 275 W HA -0.249 4.411 4.660 0.000 0.000 0.325 275 W C 2.343 178.660 176.519 -0.335 0.000 1.250 275 W CA 1.714 58.702 57.345 -0.595 0.000 1.261 275 W CB -1.016 28.328 29.460 -0.194 0.000 1.157 275 W HN -0.147 nan 8.180 nan 0.000 0.473 276 V N 0.327 120.261 119.914 0.033 0.000 2.346 276 V HA -0.104 4.016 4.120 0.000 0.000 0.244 276 V C 2.408 178.345 176.094 -0.261 0.000 1.037 276 V CA 1.941 64.223 62.300 -0.030 0.000 1.029 276 V CB -1.651 30.168 31.823 -0.007 0.000 0.663 276 V HN 0.385 nan 8.190 nan 0.000 0.454 277 G N 0.149 108.608 108.800 -0.568 0.000 2.476 277 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 277 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 277 G C 1.759 176.254 174.900 -0.676 0.000 1.164 277 G CA 1.275 45.970 45.100 -0.676 0.000 0.768 277 G HN 0.609 nan 8.290 nan 0.000 0.560 278 A N -0.001 122.388 122.820 -0.719 0.000 1.933 278 A HA 0.006 4.326 4.320 0.000 0.000 0.218 278 A C 2.535 180.001 177.584 -0.197 0.000 1.175 278 A CA 2.429 54.119 52.037 -0.579 0.000 0.628 278 A CB -0.836 17.535 19.000 -1.048 0.000 0.814 278 A HN 0.320 nan 8.150 nan 0.000 0.444 279 T N 0.517 115.031 114.554 -0.066 0.000 2.737 279 T HA -0.080 4.270 4.350 0.000 0.000 0.265 279 T C 1.809 176.525 174.700 0.027 0.000 1.038 279 T CA 1.430 63.558 62.100 0.047 0.000 1.144 279 T CB -0.394 68.547 68.868 0.123 0.000 0.866 279 T HN 0.370 nan 8.240 nan 0.000 0.434 280 L N 0.642 121.884 121.223 0.031 0.000 2.079 280 L HA -0.138 4.202 4.340 0.000 0.000 0.210 280 L C 2.632 179.574 176.870 0.120 0.000 1.081 280 L CA 1.209 56.127 54.840 0.131 0.000 0.752 280 L CB -0.422 41.802 42.059 0.275 0.000 0.896 280 L HN 0.181 nan 8.230 nan 0.000 0.433 281 K N 0.837 121.235 120.400 -0.003 0.000 2.026 281 K HA -0.141 4.179 4.320 0.000 0.000 0.208 281 K C 1.949 178.552 176.600 0.006 0.000 1.048 281 K CA 1.493 57.775 56.287 -0.009 0.000 0.929 281 K CB -0.343 32.046 32.500 -0.186 0.000 0.713 281 K HN 0.167 nan 8.250 nan 0.000 0.439 282 L N 0.325 121.542 121.223 -0.010 0.000 2.191 282 L HA -0.090 4.251 4.340 0.000 0.000 0.212 282 L C 1.790 178.680 176.870 0.033 0.000 1.103 282 L CA 0.815 55.658 54.840 0.005 0.000 0.769 282 L CB -0.240 41.819 42.059 -0.000 0.000 0.908 282 L HN 0.177 nan 8.230 nan 0.000 0.438 283 L N -0.782 120.473 121.223 0.052 0.000 2.591 283 L HA 0.018 4.358 4.340 0.000 0.000 0.228 283 L C 0.582 177.504 176.870 0.087 0.000 1.133 283 L CA -0.111 54.771 54.840 0.070 0.000 0.880 283 L CB -0.059 42.047 42.059 0.078 0.000 1.033 283 L HN 0.121 nan 8.230 nan 0.000 0.450 284 K N 0.260 120.708 120.400 0.080 0.000 3.160 284 K HA -0.192 4.129 4.320 0.000 0.000 0.280 284 K C 0.457 177.113 176.600 0.092 0.000 1.154 284 K CA 1.111 57.444 56.287 0.077 0.000 0.822 284 K CB -1.674 30.868 32.500 0.070 0.000 1.239 284 K HN 0.655 nan 8.250 nan 0.000 0.489 285 I N -4.726 115.927 120.570 0.138 0.000 4.160 285 I HA 0.268 4.438 4.170 0.000 0.000 0.325 285 I C 1.230 177.442 176.117 0.159 0.000 1.455 285 I CA -0.698 60.711 61.300 0.181 0.000 1.142 285 I CB 0.138 38.337 38.000 0.331 0.000 1.262 285 I HN -0.022 nan 8.210 nan 0.000 0.483 286 F N 3.376 123.340 119.950 0.023 0.000 2.216 286 F HA -0.165 4.362 4.527 0.000 0.000 0.300 286 F C 2.533 178.411 175.800 0.130 0.000 1.085 286 F CA 2.295 60.347 58.000 0.087 0.000 1.326 286 F CB -0.091 38.939 39.000 0.050 0.000 1.027 286 F HN 0.373 nan 8.300 nan 0.000 0.497 287 Q N -1.308 118.419 119.800 -0.122 0.000 2.297 287 Q HA -0.252 4.088 4.340 0.000 0.000 0.208 287 Q C 1.106 176.799 176.000 -0.512 0.000 0.981 287 Q CA 1.974 57.553 55.803 -0.372 0.000 0.876 287 Q CB -1.058 27.370 28.738 -0.517 0.000 0.921 287 Q HN 0.618 nan 8.270 nan 0.000 0.446 288 Y N 1.978 122.219 120.300 -0.097 0.000 2.457 288 Y HA 0.134 4.684 4.550 0.000 0.000 0.263 288 Y C 1.104 176.938 175.900 -0.111 0.000 1.164 288 Y CA -0.129 57.907 58.100 -0.107 0.000 1.274 288 Y CB 0.522 38.954 38.460 -0.046 0.000 1.097 288 Y HN 0.160 nan 8.280 nan 0.000 0.523 289 T N -1.751 112.780 114.554 -0.037 0.000 2.816 289 T HA 0.061 4.411 4.350 0.000 0.000 0.282 289 T C 0.092 174.785 174.700 -0.011 0.000 0.993 289 T CA -0.956 61.139 62.100 -0.009 0.000 0.994 289 T CB 1.142 69.999 68.868 -0.018 0.000 1.025 289 T HN 0.099 nan 8.240 nan 0.000 0.529 290 N N 0.711 119.427 118.700 0.027 0.000 2.415 290 N HA 0.136 4.876 4.740 0.000 0.000 0.246 290 N C 0.392 176.022 175.510 0.200 0.000 1.078 290 N CA -0.444 52.633 53.050 0.045 0.000 0.942 290 N CB -0.167 38.316 38.487 -0.007 0.000 1.140 290 N HN 0.715 nan 8.380 nan 0.000 0.501 291 F N 1.619 121.508 119.950 -0.101 0.000 2.113 291 F HA -0.139 4.388 4.527 0.000 0.000 0.297 291 F C 2.039 177.841 175.800 0.003 0.000 1.103 291 F CA 0.426 58.392 58.000 -0.057 0.000 1.248 291 F CB 0.335 39.296 39.000 -0.065 0.000 0.999 291 F HN 0.447 nan 8.300 nan 0.000 0.475 292 E N 1.027 121.349 120.200 0.203 0.000 2.038 292 E HA -0.224 4.126 4.350 0.000 0.000 0.195 292 E C 1.904 178.564 176.600 0.100 0.000 1.000 292 E CA 1.322 57.796 56.400 0.122 0.000 0.803 292 E CB -0.586 29.162 29.700 0.079 0.000 0.750 292 E HN 0.452 nan 8.360 nan 0.000 0.448 293 K N 0.617 121.065 120.400 0.080 0.000 2.097 293 K HA -0.133 4.187 4.320 0.000 0.000 0.206 293 K C 2.045 178.710 176.600 0.109 0.000 1.049 293 K CA 1.140 57.469 56.287 0.069 0.000 0.933 293 K CB -0.136 32.372 32.500 0.014 0.000 0.717 293 K HN -0.017 nan 8.250 nan 0.000 0.442 294 N N 1.580 120.350 118.700 0.118 0.000 2.106 294 N HA -0.169 4.571 4.740 0.000 0.000 0.188 294 N C 1.731 177.354 175.510 0.188 0.000 1.029 294 N CA 1.324 54.486 53.050 0.185 0.000 0.848 294 N CB -0.027 38.612 38.487 0.254 0.000 1.007 294 N HN 0.062 nan 8.380 nan 0.000 0.423 295 R N 0.097 120.670 120.500 0.120 0.000 2.081 295 R HA -0.047 4.293 4.340 0.000 0.000 0.235 295 R C 1.471 177.832 176.300 0.103 0.000 1.131 295 R CA 1.595 57.744 56.100 0.081 0.000 0.960 295 R CB -0.222 30.112 30.300 0.057 0.000 0.856 295 R HN 0.275 nan 8.270 nan 0.000 0.436 296 N N -0.145 118.621 118.700 0.111 0.000 2.120 296 N HA -0.216 4.524 4.740 0.000 0.000 0.188 296 N C 1.472 177.037 175.510 0.093 0.000 1.024 296 N CA 1.327 54.434 53.050 0.097 0.000 0.852 296 N CB -0.566 37.974 38.487 0.089 0.000 1.003 296 N HN 0.328 nan 8.380 nan 0.000 0.424 297 Y N 1.695 122.043 120.300 0.080 0.000 2.145 297 Y HA -0.058 4.492 4.550 0.000 0.000 0.286 297 Y C 2.202 178.183 175.900 0.134 0.000 1.145 297 Y CA 1.292 59.450 58.100 0.097 0.000 1.148 297 Y CB -0.440 38.074 38.460 0.090 0.000 0.981 297 Y HN -0.048 nan 8.280 nan 0.000 0.507 298 I N -0.069 120.538 120.570 0.062 0.000 2.163 298 I HA -0.371 3.800 4.170 0.000 0.000 0.243 298 I C 2.325 178.510 176.117 0.113 0.000 1.085 298 I CA 1.632 62.955 61.300 0.037 0.000 1.347 298 I CB -0.576 37.436 38.000 0.021 0.000 1.044 298 I HN 0.265 nan 8.210 nan 0.000 0.408 299 L N 0.506 121.814 121.223 0.141 0.000 2.201 299 L HA -0.163 4.178 4.340 0.000 0.000 0.212 299 L C 2.687 179.596 176.870 0.064 0.000 1.105 299 L CA 1.434 56.399 54.840 0.209 0.000 0.775 299 L CB -0.650 41.510 42.059 0.169 0.000 0.913 299 L HN 0.389 nan 8.230 nan 0.000 0.440 300 S N -1.445 114.221 115.700 -0.057 0.000 2.507 300 S HA -0.121 4.349 4.470 0.000 0.000 0.235 300 S C 1.686 176.218 174.600 -0.113 0.000 0.988 300 S CA 1.124 59.263 58.200 -0.102 0.000 0.944 300 S CB -0.625 62.483 63.200 -0.153 0.000 0.762 300 S HN 0.566 nan 8.310 nan 0.000 0.526 301 T N -1.982 112.515 114.554 -0.095 0.000 3.092 301 T HA 0.257 4.607 4.350 0.000 0.000 0.258 301 T C 0.334 175.029 174.700 -0.008 0.000 1.031 301 T CA -0.513 61.573 62.100 -0.023 0.000 0.925 301 T CB -0.234 68.641 68.868 0.010 0.000 1.036 301 T HN 0.463 nan 8.240 nan 0.000 0.544 302 Q N 1.888 121.632 119.800 -0.094 0.000 2.313 302 Q HA 0.087 4.427 4.340 0.000 0.000 0.266 302 Q C -0.736 175.094 176.000 -0.282 0.000 0.989 302 Q CA -0.262 55.278 55.803 -0.439 0.000 0.890 302 Q CB 0.535 29.048 28.738 -0.376 0.000 1.200 302 Q HN 0.306 nan 8.270 nan 0.000 0.396 303 D N 4.063 124.269 120.400 -0.324 0.000 2.411 303 D HA 0.077 4.717 4.640 0.000 0.000 0.225 303 D C 0.335 176.501 176.300 -0.223 0.000 1.156 303 D CA -0.050 53.833 54.000 -0.195 0.000 0.874 303 D CB 0.578 41.290 40.800 -0.146 0.000 1.034 303 D HN 0.605 nan 8.370 nan 0.000 0.502 304 R N 2.538 122.931 120.500 -0.178 0.000 2.237 304 R HA -0.063 4.277 4.340 0.000 0.000 0.219 304 R C 1.584 177.787 176.300 -0.161 0.000 1.080 304 R CA 0.252 56.240 56.100 -0.185 0.000 0.995 304 R CB 0.353 30.575 30.300 -0.130 0.000 0.875 304 R HN 0.453 nan 8.270 nan 0.000 0.462 305 L N 0.351 121.501 121.223 -0.122 0.000 2.185 305 L HA -0.005 4.335 4.340 0.000 0.000 0.198 305 L C 2.092 178.906 176.870 -0.092 0.000 1.079 305 L CA 1.445 56.228 54.840 -0.094 0.000 0.780 305 L CB -0.446 41.577 42.059 -0.061 0.000 0.955 305 L HN 0.088 nan 8.230 nan 0.000 0.462 306 V N -1.329 118.544 119.914 -0.068 0.000 3.506 306 V HA 0.444 4.564 4.120 0.000 0.000 0.263 306 V C 0.896 177.008 176.094 0.030 0.000 1.203 306 V CA 0.637 62.931 62.300 -0.011 0.000 1.133 306 V CB -0.299 31.549 31.823 0.041 0.000 0.802 306 V HN 0.628 nan 8.190 nan 0.000 0.459 307 G N -0.715 108.005 108.800 -0.133 0.000 2.710 307 G HA2 0.396 4.356 3.960 0.000 0.000 0.668 307 G HA3 0.396 4.356 3.960 0.000 0.000 0.668 307 G C 0.559 175.170 174.900 -0.482 0.000 1.320 307 G CA -0.294 44.635 45.100 -0.285 0.000 0.860 307 G HN 2.458 nan 8.290 nan 0.000 0.538 308 G N -2.103 106.339 108.800 -0.598 0.000 2.828 308 G HA2 0.368 4.328 3.960 0.000 0.000 0.463 308 G HA3 0.368 4.328 3.960 0.000 0.000 0.463 308 G C -0.411 174.029 174.900 -0.766 0.000 1.394 308 G CA 0.315 44.681 45.100 -1.223 0.000 0.862 308 G HN 1.821 nan 8.290 nan 0.000 0.540 309 F N -0.039 119.634 119.950 -0.461 0.000 2.593 309 F HA 0.849 5.376 4.527 0.000 0.000 0.320 309 F C 0.837 176.568 175.800 -0.115 0.000 1.060 309 F CA 0.028 57.902 58.000 -0.210 0.000 0.940 309 F CB 2.072 40.973 39.000 -0.165 0.000 1.268 309 F HN 1.016 nan 8.300 nan 0.000 0.475 310 A N 0.946 123.826 122.820 0.100 0.000 2.344 310 A HA 0.546 4.866 4.320 0.000 0.000 0.307 310 A C 0.742 178.215 177.584 -0.184 0.000 1.151 310 A CA -0.622 51.384 52.037 -0.052 0.000 0.842 310 A CB 1.355 20.342 19.000 -0.021 0.000 1.350 310 A HN 0.879 nan 8.150 nan 0.000 0.459 311 K N -0.927 119.106 120.400 -0.612 0.000 2.155 311 K HA -0.008 4.312 4.320 0.000 0.000 0.203 311 K C -0.453 176.082 176.600 -0.109 0.000 1.052 311 K CA 0.673 56.587 56.287 -0.621 0.000 0.948 311 K CB 0.028 31.870 32.500 -1.096 0.000 0.728 311 K HN 0.573 nan 8.250 nan 0.000 0.448 312 W N 1.663 122.994 121.300 0.051 0.000 2.882 312 W HA 0.404 5.064 4.660 0.000 0.000 0.345 312 W C -2.633 173.903 176.519 0.028 0.000 1.125 312 W CA -3.167 54.252 57.345 0.124 0.000 1.167 312 W CB 0.262 29.790 29.460 0.112 0.000 1.431 312 W HN -0.200 nan 8.180 nan 0.000 0.543 313 P HA 0.132 nan 4.420 nan 0.000 0.269 313 P C 0.211 177.580 177.300 0.115 0.000 1.215 313 P CA 1.116 64.272 63.100 0.093 0.000 0.780 313 P CB 0.245 31.966 31.700 0.036 0.000 0.898 314 D N -1.533 118.908 120.400 0.069 0.000 2.723 314 D HA -0.141 4.499 4.640 0.000 0.000 0.236 314 D C 0.085 176.434 176.300 0.081 0.000 1.138 314 D CA 1.236 55.276 54.000 0.066 0.000 0.676 314 D CB -1.976 38.854 40.800 0.051 0.000 1.069 314 D HN 0.583 nan 8.370 nan 0.000 0.430 315 S N -2.109 113.649 115.700 0.097 0.000 2.599 315 S HA 0.608 5.078 4.470 0.000 0.000 0.287 315 S C -0.511 174.161 174.600 0.121 0.000 1.105 315 S CA -0.428 57.815 58.200 0.072 0.000 0.899 315 S CB 1.309 64.586 63.200 0.129 0.000 1.100 315 S HN 0.538 nan 8.310 nan 0.000 0.482 316 H N 2.731 121.827 119.070 0.043 0.000 2.803 316 H HA 0.276 4.833 4.556 0.000 0.000 0.330 316 H C -1.886 173.470 175.328 0.046 0.000 1.057 316 H CA -1.473 54.606 56.048 0.052 0.000 1.458 316 H CB 0.648 30.456 29.762 0.077 0.000 1.470 316 H HN 0.449 nan 8.280 nan 0.000 0.560 317 P HA 0.051 nan 4.420 nan 0.000 0.276 317 P C -1.023 176.437 177.300 0.266 0.000 1.244 317 P CA -0.354 62.817 63.100 0.117 0.000 0.801 317 P CB 1.454 33.134 31.700 -0.034 0.000 1.006 318 D N -1.087 119.484 120.400 0.285 0.000 2.596 318 D HA 0.451 5.091 4.640 0.000 0.000 0.262 318 D C 0.848 177.398 176.300 0.418 0.000 1.210 318 D CA -0.975 53.277 54.000 0.420 0.000 0.873 318 D CB 0.365 41.386 40.800 0.370 0.000 1.408 318 D HN 0.177 nan 8.370 nan 0.000 0.441 319 A N 0.239 123.331 122.820 0.453 0.000 1.908 319 A HA -0.125 4.195 4.320 0.000 0.000 0.218 319 A C 2.001 179.599 177.584 0.023 0.000 1.181 319 A CA 1.595 53.897 52.037 0.441 0.000 0.627 319 A CB -1.006 18.266 19.000 0.454 0.000 0.818 319 A HN 0.639 nan 8.150 nan 0.000 0.445 320 L N -1.403 119.702 121.223 -0.197 0.000 1.994 320 L HA -0.220 4.120 4.340 0.000 0.000 0.208 320 L C 2.470 179.050 176.870 -0.484 0.000 1.071 320 L CA 2.275 56.634 54.840 -0.802 0.000 0.745 320 L CB -0.382 41.480 42.059 -0.328 0.000 0.892 320 L HN 0.553 nan 8.230 nan 0.000 0.431 321 H N -0.715 118.311 119.070 -0.074 0.000 2.462 321 H HA 0.040 4.596 4.556 0.000 0.000 0.292 321 H C 2.147 177.428 175.328 -0.077 0.000 1.049 321 H CA 0.992 57.020 56.048 -0.034 0.000 1.334 321 H CB -0.107 29.664 29.762 0.016 0.000 1.404 321 H HN 0.517 nan 8.280 nan 0.000 0.544 322 A N 0.348 123.195 122.820 0.044 0.000 1.873 322 A HA -0.224 4.096 4.320 0.000 0.000 0.215 322 A C 2.072 179.690 177.584 0.056 0.000 1.186 322 A CA 1.543 53.604 52.037 0.039 0.000 0.616 322 A CB -0.915 17.949 19.000 -0.226 0.000 0.823 322 A HN 0.523 nan 8.150 nan 0.000 0.442 323 Y N -0.561 119.658 120.300 -0.135 0.000 2.133 323 Y HA -0.165 4.385 4.550 0.000 0.000 0.287 323 Y C 1.939 177.448 175.900 -0.653 0.000 1.134 323 Y CA 1.744 59.594 58.100 -0.416 0.000 1.133 323 Y CB -0.562 37.430 38.460 -0.779 0.000 0.987 323 Y HN 0.281 nan 8.280 nan 0.000 0.502 324 F N -0.320 119.240 119.950 -0.650 0.000 2.325 324 F HA -0.018 4.509 4.527 0.000 0.000 0.299 324 F C 2.544 177.954 175.800 -0.649 0.000 1.090 324 F CA 0.797 58.309 58.000 -0.814 0.000 1.392 324 F CB -0.663 37.887 39.000 -0.751 0.000 1.053 324 F HN 0.151 nan 8.300 nan 0.000 0.521 325 G N 0.377 108.898 108.800 -0.465 0.000 2.402 325 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 325 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 325 G C 1.696 176.111 174.900 -0.808 0.000 1.162 325 G CA 0.668 45.347 45.100 -0.702 0.000 0.777 325 G HN 0.320 nan 8.290 nan 0.000 0.539 326 I N 0.329 120.453 120.570 -0.743 0.000 2.252 326 I HA -0.186 3.984 4.170 0.000 0.000 0.245 326 I C 2.721 178.535 176.117 -0.505 0.000 1.102 326 I CA 0.632 61.614 61.300 -0.531 0.000 1.385 326 I CB -0.163 37.693 38.000 -0.241 0.000 1.064 326 I HN 0.190 nan 8.210 nan 0.000 0.414 327 C N 0.699 119.616 119.300 -0.639 0.000 2.422 327 C HA -0.082 4.378 4.460 0.000 0.000 0.279 327 C C 2.910 177.723 174.990 -0.295 0.000 1.305 327 C CA 0.924 59.616 59.018 -0.542 0.000 1.757 327 C CB -1.735 25.462 27.740 -0.906 0.000 1.962 327 C HN 0.670 nan 8.230 nan 0.000 0.499 328 G N 0.334 108.956 108.800 -0.296 0.000 2.418 328 G HA2 -0.148 3.812 3.960 0.000 0.000 0.217 328 G HA3 -0.148 3.812 3.960 0.000 0.000 0.217 328 G C 1.408 176.159 174.900 -0.247 0.000 1.158 328 G CA 0.607 45.571 45.100 -0.227 0.000 0.771 328 G HN 0.346 nan 8.290 nan 0.000 0.545 329 L N 1.205 122.241 121.223 -0.311 0.000 2.046 329 L HA 0.002 4.342 4.340 0.000 0.000 0.208 329 L C 3.075 179.782 176.870 -0.272 0.000 1.077 329 L CA 1.867 56.522 54.840 -0.307 0.000 0.747 329 L CB -1.062 40.730 42.059 -0.445 0.000 0.896 329 L HN 0.334 nan 8.230 nan 0.000 0.432 330 S N -0.761 114.775 115.700 -0.273 0.000 2.383 330 S HA -0.182 4.288 4.470 0.000 0.000 0.229 330 S C 2.037 176.540 174.600 -0.161 0.000 1.030 330 S CA 0.906 58.985 58.200 -0.202 0.000 1.002 330 S CB -0.190 62.894 63.200 -0.192 0.000 0.829 330 S HN 0.250 nan 8.310 nan 0.000 0.467 331 L N 1.136 122.233 121.223 -0.210 0.000 2.189 331 L HA 0.066 4.406 4.340 0.000 0.000 0.214 331 L C 2.019 178.836 176.870 -0.090 0.000 1.097 331 L CA 1.744 56.428 54.840 -0.259 0.000 0.764 331 L CB -0.914 40.767 42.059 -0.631 0.000 0.900 331 L HN 0.507 nan 8.230 nan 0.000 0.436 332 M N -1.263 118.243 119.600 -0.156 0.000 2.475 332 M HA 0.114 4.594 4.480 0.000 0.000 0.261 332 M C -0.181 176.098 176.300 -0.036 0.000 1.177 332 M CA -0.005 55.153 55.300 -0.235 0.000 0.979 332 M CB 0.141 32.386 32.600 -0.591 0.000 1.482 332 M HN 0.085 nan 8.290 nan 0.000 0.484 333 E N 1.064 121.242 120.200 -0.038 0.000 2.252 333 E HA -0.195 4.155 4.350 0.000 0.000 0.218 333 E C -0.103 176.475 176.600 -0.036 0.000 1.253 333 E CA 0.270 56.660 56.400 -0.017 0.000 0.705 333 E CB -1.272 28.452 29.700 0.040 0.000 1.172 333 E HN 0.457 nan 8.360 nan 0.000 0.369 334 E N 1.123 121.259 120.200 -0.106 0.000 2.452 334 E HA 0.036 4.386 4.350 0.000 0.000 0.261 334 E C -0.267 176.283 176.600 -0.084 0.000 0.987 334 E CA 0.246 56.562 56.400 -0.139 0.000 0.926 334 E CB 0.818 30.326 29.700 -0.319 0.000 0.934 334 E HN 0.189 nan 8.360 nan 0.000 0.452 335 S N 3.343 119.027 115.700 -0.028 0.000 2.481 335 S HA 0.387 4.857 4.470 0.000 0.000 0.282 335 S C 0.885 175.517 174.600 0.054 0.000 1.243 335 S CA 0.788 59.002 58.200 0.023 0.000 1.078 335 S CB -0.631 62.599 63.200 0.050 0.000 0.916 335 S HN 0.931 nan 8.310 nan 0.000 0.495 336 G N 4.173 113.007 108.800 0.057 0.000 2.192 336 G HA2 -0.153 3.807 3.960 0.000 0.000 0.193 336 G HA3 -0.153 3.807 3.960 0.000 0.000 0.193 336 G C -0.047 174.910 174.900 0.095 0.000 0.999 336 G CA -0.086 45.081 45.100 0.112 0.000 0.659 336 G HN 0.708 nan 8.290 nan 0.000 0.503 337 I N 1.452 122.025 120.570 0.005 0.000 2.436 337 I HA 0.351 4.521 4.170 0.000 0.000 0.289 337 I C 0.957 177.056 176.117 -0.030 0.000 1.010 337 I CA -1.160 60.124 61.300 -0.026 0.000 1.098 337 I CB 1.659 39.569 38.000 -0.151 0.000 1.266 337 I HN 0.096 nan 8.210 nan 0.000 0.434 338 C N 3.692 122.985 119.300 -0.013 0.000 2.741 338 C HA 0.040 4.500 4.460 0.000 0.000 0.403 338 C C 1.053 176.026 174.990 -0.027 0.000 1.282 338 C CA -0.654 58.358 59.018 -0.009 0.000 2.053 338 C CB -0.260 27.480 27.740 0.000 0.000 2.731 338 C HN 0.631 nan 8.230 nan 0.000 0.680 339 K N 1.087 121.482 120.400 -0.008 0.000 2.368 339 K HA 0.307 4.627 4.320 0.000 0.000 0.282 339 K C -0.144 176.462 176.600 0.010 0.000 1.035 339 K CA -0.283 55.999 56.287 -0.009 0.000 0.973 339 K CB 1.211 33.715 32.500 0.008 0.000 0.957 339 K HN 0.576 nan 8.250 nan 0.000 0.474 340 V N 3.776 123.691 119.914 0.002 0.000 2.509 340 V HA 0.188 4.308 4.120 0.000 0.000 0.284 340 V C 0.085 176.257 176.094 0.131 0.000 1.047 340 V CA -0.631 61.704 62.300 0.058 0.000 0.952 340 V CB 1.128 32.964 31.823 0.021 0.000 0.988 340 V HN 0.930 nan 8.190 nan 0.000 0.469 341 H N 9.463 128.594 119.070 0.102 0.000 3.015 341 H HA 0.271 4.827 4.556 0.000 0.000 0.268 341 H C -1.731 173.718 175.328 0.202 0.000 1.113 341 H CA -1.645 54.475 56.048 0.121 0.000 1.479 341 H CB 1.631 31.462 29.762 0.116 0.000 1.493 341 H HN 0.553 nan 8.280 nan 0.000 0.486 342 P HA -0.106 nan 4.420 nan 0.000 0.223 342 P C 0.737 178.293 177.300 0.425 0.000 1.144 342 P CA 1.214 64.458 63.100 0.240 0.000 0.783 342 P CB 0.354 32.054 31.700 0.000 0.000 0.771 343 A N -1.143 121.959 122.820 0.469 0.000 2.055 343 A HA 0.143 4.463 4.320 0.000 0.000 0.205 343 A C 1.916 179.806 177.584 0.509 0.000 1.235 343 A CA 0.183 52.479 52.037 0.431 0.000 0.822 343 A CB -0.865 18.287 19.000 0.254 0.000 0.903 343 A HN 0.138 nan 8.150 nan 0.000 0.473 344 L N -0.682 120.832 121.223 0.486 0.000 2.477 344 L HA 0.242 4.582 4.340 0.000 0.000 0.220 344 L C 0.596 177.713 176.870 0.411 0.000 1.106 344 L CA 1.214 56.150 54.840 0.160 0.000 0.851 344 L CB -0.540 41.283 42.059 -0.393 0.000 0.994 344 L HN 0.531 nan 8.230 nan 0.000 0.462 345 N N -0.529 118.509 118.700 0.564 0.000 2.783 345 N HA -0.167 4.573 4.740 0.000 0.000 0.247 345 N C -0.743 175.055 175.510 0.480 0.000 1.089 345 N CA 0.946 54.347 53.050 0.585 0.000 0.690 345 N CB -1.300 37.650 38.487 0.772 0.000 0.991 345 N HN 0.280 nan 8.380 nan 0.000 0.552 346 V N -3.493 116.615 119.914 0.322 0.000 3.181 346 V HA 0.849 4.969 4.120 0.000 0.000 0.308 346 V C 0.579 176.767 176.094 0.158 0.000 1.214 346 V CA -0.433 61.994 62.300 0.212 0.000 1.053 346 V CB 1.506 33.416 31.823 0.145 0.000 1.069 346 V HN 0.455 nan 8.190 nan 0.000 0.441 347 S N 0.092 115.845 115.700 0.087 0.000 2.572 347 S HA 0.155 4.625 4.470 0.000 0.000 0.279 347 S C 1.439 176.098 174.600 0.100 0.000 1.341 347 S CA 0.389 58.630 58.200 0.069 0.000 1.043 347 S CB 0.860 64.075 63.200 0.025 0.000 0.887 347 S HN 1.831 nan 8.310 nan 0.000 0.516 348 T N 0.010 114.630 114.554 0.111 0.000 2.759 348 T HA -0.252 4.098 4.350 0.000 0.000 0.269 348 T C 1.776 176.526 174.700 0.084 0.000 1.042 348 T CA 1.265 63.445 62.100 0.133 0.000 1.140 348 T CB -0.524 68.402 68.868 0.098 0.000 0.864 348 T HN 0.718 nan 8.240 nan 0.000 0.455 349 R N 0.979 121.510 120.500 0.051 0.000 2.083 349 R HA -0.134 4.206 4.340 0.000 0.000 0.237 349 R C 2.388 178.698 176.300 0.017 0.000 1.137 349 R CA 2.089 58.206 56.100 0.029 0.000 0.951 349 R CB -1.017 29.294 30.300 0.018 0.000 0.851 349 R HN 0.458 nan 8.270 nan 0.000 0.434 350 T N 0.454 115.019 114.554 0.018 0.000 2.821 350 T HA -0.127 4.223 4.350 0.000 0.000 0.267 350 T C 1.867 176.558 174.700 -0.014 0.000 1.046 350 T CA 1.648 63.747 62.100 -0.001 0.000 1.139 350 T CB -0.213 68.659 68.868 0.006 0.000 0.871 350 T HN 0.552 nan 8.240 nan 0.000 0.454 351 S N 1.524 117.231 115.700 0.012 0.000 2.382 351 S HA -0.120 4.350 4.470 0.000 0.000 0.228 351 S C 2.098 176.694 174.600 -0.007 0.000 1.027 351 S CA 1.119 59.313 58.200 -0.011 0.000 0.991 351 S CB -0.423 62.795 63.200 0.030 0.000 0.823 351 S HN 0.450 nan 8.310 nan 0.000 0.469 352 E N 1.196 121.406 120.200 0.016 0.000 2.047 352 E HA -0.027 4.324 4.350 0.000 0.000 0.191 352 E C 2.243 178.812 176.600 -0.052 0.000 0.987 352 E CA 1.033 57.432 56.400 -0.000 0.000 0.799 352 E CB -0.556 29.154 29.700 0.016 0.000 0.752 352 E HN 0.666 nan 8.360 nan 0.000 0.449 353 R N 0.027 120.493 120.500 -0.056 0.000 2.120 353 R HA -0.108 4.232 4.340 0.000 0.000 0.234 353 R C 2.439 178.643 176.300 -0.160 0.000 1.123 353 R CA 1.348 57.398 56.100 -0.083 0.000 0.975 353 R CB -0.469 29.797 30.300 -0.058 0.000 0.866 353 R HN 0.303 nan 8.270 nan 0.000 0.446 354 L N 1.153 122.260 121.223 -0.193 0.000 2.093 354 L HA -0.132 4.208 4.340 0.000 0.000 0.208 354 L C 2.829 179.379 176.870 -0.534 0.000 1.085 354 L CA 2.361 56.980 54.840 -0.368 0.000 0.755 354 L CB -0.741 41.134 42.059 -0.308 0.000 0.904 354 L HN 0.115 nan 8.230 nan 0.000 0.435 355 R N -0.341 119.976 120.500 -0.305 0.000 2.073 355 R HA -0.156 4.184 4.340 0.000 0.000 0.234 355 R C 1.923 178.104 176.300 -0.200 0.000 1.134 355 R CA 1.886 57.852 56.100 -0.223 0.000 0.952 355 R CB -1.850 28.406 30.300 -0.073 0.000 0.850 355 R HN 0.568 nan 8.270 nan 0.000 0.433 356 D N 0.710 121.008 120.400 -0.171 0.000 2.117 356 D HA -0.113 4.527 4.640 0.000 0.000 0.197 356 D C 2.039 178.208 176.300 -0.218 0.000 0.987 356 D CA 1.186 55.103 54.000 -0.139 0.000 0.829 356 D CB -0.309 40.433 40.800 -0.097 0.000 0.961 356 D HN 0.361 nan 8.370 nan 0.000 0.460 357 L N 0.368 121.388 121.223 -0.339 0.000 1.989 357 L HA -0.235 4.105 4.340 0.000 0.000 0.211 357 L C 2.462 178.803 176.870 -0.881 0.000 1.071 357 L CA 1.586 56.096 54.840 -0.549 0.000 0.749 357 L CB -0.315 41.395 42.059 -0.582 0.000 0.890 357 L HN 0.205 nan 8.230 nan 0.000 0.431 358 H N -1.347 117.206 119.070 -0.863 0.000 2.319 358 H HA -0.253 4.303 4.556 0.000 0.000 0.299 358 H C 2.448 177.598 175.328 -0.296 0.000 1.092 358 H CA 1.307 56.935 56.048 -0.701 0.000 1.302 358 H CB -0.029 29.503 29.762 -0.384 0.000 1.373 358 H HN 0.512 nan 8.280 nan 0.000 0.497 359 Q N 1.029 120.784 119.800 -0.076 0.000 2.030 359 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 359 Q C 2.494 178.499 176.000 0.009 0.000 0.986 359 Q CA 2.100 57.895 55.803 -0.013 0.000 0.843 359 Q CB -1.297 27.427 28.738 -0.023 0.000 0.904 359 Q HN 0.610 nan 8.270 nan 0.000 0.420 360 S N -0.772 114.902 115.700 -0.043 0.000 2.392 360 S HA -0.214 4.256 4.470 0.000 0.000 0.232 360 S C 1.827 176.537 174.600 0.182 0.000 1.041 360 S CA 1.819 60.039 58.200 0.034 0.000 1.026 360 S CB -0.670 62.530 63.200 0.000 0.000 0.845 360 S HN 0.768 nan 8.310 nan 0.000 0.465 361 W N 2.115 123.440 121.300 0.042 0.000 2.355 361 W HA 0.170 4.830 4.660 0.000 0.000 0.309 361 W C 2.083 178.610 176.519 0.013 0.000 1.206 361 W CA 0.766 58.126 57.345 0.025 0.000 1.284 361 W CB -1.320 28.153 29.460 0.021 0.000 1.145 361 W HN 0.514 nan 8.180 nan 0.000 0.502 362 K N 1.990 122.540 120.400 0.249 0.000 1.985 362 K HA 0.326 4.646 4.320 0.000 0.000 0.234 362 K C 0.233 176.893 176.600 0.100 0.000 1.140 362 K CA 1.085 57.456 56.287 0.139 0.000 1.141 362 K CB -1.525 31.036 32.500 0.102 0.000 1.165 362 K HN 0.304 nan 8.250 nan 0.000 0.301 363 T N 0.000 114.609 114.554 0.092 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.140 62.100 0.066 0.000 1.349 363 T CB 0.000 68.911 68.868 0.072 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658