REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1s64_1_F DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.915 176.870 0.075 0.000 1.165 18 L CA 0.000 54.871 54.840 0.052 0.000 0.813 18 L CB 0.000 42.076 42.059 0.028 0.000 0.961 19 D N 0.013 120.459 120.400 0.077 0.000 2.423 19 D HA 0.389 5.029 4.640 -0.000 0.000 0.235 19 D C -1.143 175.265 176.300 0.179 0.000 1.011 19 D CA -0.379 53.690 54.000 0.114 0.000 0.963 19 D CB 2.181 43.021 40.800 0.068 0.000 1.349 19 D HN 0.035 nan 8.370 nan 0.000 0.508 20 F N 0.850 120.835 119.950 0.057 0.000 2.404 20 F HA 0.284 4.811 4.527 -0.000 0.000 0.358 20 F C -0.296 175.533 175.800 0.049 0.000 1.120 20 F CA -1.185 56.879 58.000 0.106 0.000 1.144 20 F CB 0.532 39.612 39.000 0.133 0.000 1.133 20 F HN 0.125 nan 8.300 nan 0.000 0.495 21 L N 7.838 128.756 121.223 -0.507 0.000 2.650 21 L HA 0.163 4.503 4.340 -0.000 0.000 0.239 21 L C 2.015 178.342 176.870 -0.905 0.000 1.412 21 L CA 0.502 54.953 54.840 -0.648 0.000 1.219 21 L CB -1.422 40.229 42.059 -0.680 0.000 1.534 21 L HN 0.704 nan 8.230 nan 0.000 0.430 22 R N 0.348 120.352 120.500 -0.826 0.000 2.133 22 R HA -0.236 4.104 4.340 -0.000 0.000 0.245 22 R C 1.273 177.418 176.300 -0.259 0.000 1.137 22 R CA 2.309 58.100 56.100 -0.515 0.000 0.947 22 R CB 0.099 30.361 30.300 -0.063 0.000 0.865 22 R HN 0.472 nan 8.270 nan 0.000 0.437 23 D N -0.339 119.933 120.400 -0.213 0.000 2.123 23 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 23 D C 2.100 178.290 176.300 -0.184 0.000 0.992 23 D CA 1.182 55.098 54.000 -0.140 0.000 0.833 23 D CB -0.222 40.510 40.800 -0.113 0.000 0.954 23 D HN 0.203 nan 8.370 nan 0.000 0.455 24 R N -0.073 120.230 120.500 -0.329 0.000 2.081 24 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 24 R C 2.266 178.377 176.300 -0.315 0.000 1.131 24 R CA 1.084 56.974 56.100 -0.351 0.000 0.960 24 R CB -0.199 29.803 30.300 -0.498 0.000 0.856 24 R HN 0.333 nan 8.270 nan 0.000 0.436 25 H N -0.900 118.012 119.070 -0.263 0.000 2.423 25 H HA -0.034 4.522 4.556 -0.000 0.000 0.297 25 H C 2.039 177.297 175.328 -0.115 0.000 1.075 25 H CA 1.432 57.308 56.048 -0.287 0.000 1.342 25 H CB -0.232 29.367 29.762 -0.271 0.000 1.395 25 H HN 0.057 nan 8.280 nan 0.000 0.530 26 V N 1.133 121.106 119.914 0.099 0.000 2.307 26 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 26 V C 2.545 178.713 176.094 0.123 0.000 1.045 26 V CA 1.585 63.991 62.300 0.176 0.000 1.024 26 V CB -0.329 31.558 31.823 0.105 0.000 0.651 26 V HN 0.313 nan 8.190 nan 0.000 0.449 27 R N -0.939 119.583 120.500 0.036 0.000 2.096 27 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 27 R C 2.252 178.557 176.300 0.008 0.000 1.127 27 R CA 1.908 58.013 56.100 0.007 0.000 0.968 27 R CB -0.539 29.741 30.300 -0.032 0.000 0.861 27 R HN 0.538 nan 8.270 nan 0.000 0.440 28 F N 0.693 120.551 119.950 -0.153 0.000 2.095 28 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 28 F C 1.732 177.447 175.800 -0.143 0.000 1.104 28 F CA 1.587 59.464 58.000 -0.207 0.000 1.232 28 F CB -0.266 38.532 39.000 -0.337 0.000 0.987 28 F HN -0.097 nan 8.300 nan 0.000 0.475 29 F N 0.389 120.464 119.950 0.208 0.000 2.234 29 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 29 F C 2.483 178.246 175.800 -0.062 0.000 1.087 29 F CA 0.975 59.024 58.000 0.082 0.000 1.340 29 F CB -0.478 38.597 39.000 0.124 0.000 1.031 29 F HN 0.046 nan 8.300 nan 0.000 0.500 30 Q N 0.111 119.979 119.800 0.113 0.000 2.050 30 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 30 Q C 2.201 178.159 176.000 -0.070 0.000 0.980 30 Q CA 1.301 57.112 55.803 0.013 0.000 0.840 30 Q CB -0.305 28.433 28.738 0.000 0.000 0.898 30 Q HN 0.367 nan 8.270 nan 0.000 0.424 31 R N -0.042 120.377 120.500 -0.136 0.000 2.120 31 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 31 R C 2.383 178.541 176.300 -0.236 0.000 1.123 31 R CA 1.336 57.315 56.100 -0.201 0.000 0.975 31 R CB -0.318 29.819 30.300 -0.272 0.000 0.866 31 R HN 0.292 nan 8.270 nan 0.000 0.446 32 C N 0.051 119.197 119.300 -0.258 0.000 2.422 32 C HA -0.026 4.433 4.460 -0.000 0.000 0.279 32 C C 1.955 176.856 174.990 -0.149 0.000 1.305 32 C CA 0.322 59.213 59.018 -0.213 0.000 1.757 32 C CB -0.631 27.055 27.740 -0.090 0.000 1.962 32 C HN 0.390 nan 8.230 nan 0.000 0.499 33 L N 0.600 121.747 121.223 -0.126 0.000 2.554 33 L HA 0.047 4.387 4.340 -0.000 0.000 0.226 33 L C 1.971 178.731 176.870 -0.183 0.000 1.137 33 L CA 1.325 56.069 54.840 -0.160 0.000 0.863 33 L CB -1.436 40.542 42.059 -0.134 0.000 0.985 33 L HN 0.570 nan 8.230 nan 0.000 0.451 34 Q N -1.074 118.633 119.800 -0.155 0.000 2.790 34 Q HA 0.231 4.571 4.340 -0.000 0.000 0.390 34 Q C -0.237 175.685 176.000 -0.130 0.000 1.110 34 Q CA 0.031 55.751 55.803 -0.139 0.000 0.493 34 Q CB 0.246 28.916 28.738 -0.114 0.000 4.965 34 Q HN 0.044 nan 8.270 nan 0.000 0.328 35 V N 1.416 121.269 119.914 -0.102 0.000 2.604 35 V HA 0.414 4.534 4.120 -0.000 0.000 0.305 35 V C -0.747 175.316 176.094 -0.052 0.000 1.043 35 V CA -0.585 61.673 62.300 -0.070 0.000 0.888 35 V CB 1.736 33.529 31.823 -0.049 0.000 0.995 35 V HN 0.299 nan 8.190 nan 0.000 0.429 36 L N 4.540 125.757 121.223 -0.010 0.000 2.342 36 L HA 0.633 4.973 4.340 -0.000 0.000 0.271 36 L C -2.402 174.562 176.870 0.157 0.000 1.008 36 L CA -1.834 53.046 54.840 0.067 0.000 0.818 36 L CB 1.836 43.924 42.059 0.048 0.000 1.296 36 L HN 0.429 nan 8.230 nan 0.000 0.427 37 P HA 0.049 nan 4.420 nan 0.000 0.272 37 P C 0.357 177.708 177.300 0.084 0.000 1.230 37 P CA -0.403 62.770 63.100 0.122 0.000 0.788 37 P CB 0.684 32.429 31.700 0.075 0.000 0.949 38 E N 1.656 121.865 120.200 0.016 0.000 2.396 38 E HA -0.237 4.113 4.350 -0.000 0.000 0.200 38 E C 1.540 178.103 176.600 -0.061 0.000 1.023 38 E CA 0.502 56.904 56.400 0.002 0.000 0.857 38 E CB 0.042 29.741 29.700 -0.002 0.000 0.775 38 E HN 0.340 nan 8.360 nan 0.000 0.525 39 R N -0.588 119.796 120.500 -0.192 0.000 2.328 39 R HA -0.134 4.206 4.340 -0.000 0.000 0.207 39 R C 0.459 176.493 176.300 -0.443 0.000 1.056 39 R CA 1.051 56.947 56.100 -0.340 0.000 1.016 39 R CB -0.243 29.772 30.300 -0.474 0.000 0.872 39 R HN 0.275 nan 8.270 nan 0.000 0.471 40 Y N 1.032 121.348 120.300 0.027 0.000 2.607 40 Y HA 0.153 4.703 4.550 -0.000 0.000 0.266 40 Y C 2.001 177.921 175.900 0.034 0.000 1.178 40 Y CA -0.090 58.031 58.100 0.035 0.000 1.226 40 Y CB 0.822 39.299 38.460 0.028 0.000 1.144 40 Y HN 0.228 nan 8.280 nan 0.000 0.528 41 S N -0.419 115.343 115.700 0.103 0.000 2.402 41 S HA -0.281 4.189 4.470 -0.000 0.000 0.233 41 S C 2.094 176.735 174.600 0.069 0.000 1.030 41 S CA 1.617 59.863 58.200 0.077 0.000 1.003 41 S CB -0.845 62.380 63.200 0.041 0.000 0.813 41 S HN 0.514 nan 8.310 nan 0.000 0.477 42 S N 1.405 117.151 115.700 0.076 0.000 2.547 42 S HA 0.151 4.621 4.470 -0.000 0.000 0.235 42 S C 1.464 176.105 174.600 0.069 0.000 0.980 42 S CA 0.583 58.822 58.200 0.064 0.000 0.941 42 S CB -0.751 62.494 63.200 0.076 0.000 0.763 42 S HN 0.595 nan 8.310 nan 0.000 0.532 43 L N 0.376 121.658 121.223 0.098 0.000 2.567 43 L HA 0.245 4.585 4.340 -0.000 0.000 0.225 43 L C 2.506 179.405 176.870 0.048 0.000 1.119 43 L CA 0.295 55.190 54.840 0.091 0.000 0.871 43 L CB -0.311 41.826 42.059 0.130 0.000 1.036 43 L HN 0.246 nan 8.230 nan 0.000 0.459 44 E N 1.363 121.580 120.200 0.028 0.000 2.068 44 E HA -0.282 4.068 4.350 -0.000 0.000 0.207 44 E C 1.961 178.523 176.600 -0.064 0.000 1.032 44 E CA 2.493 58.897 56.400 0.006 0.000 0.839 44 E CB -0.308 29.382 29.700 -0.016 0.000 0.758 44 E HN 0.409 nan 8.360 nan 0.000 0.457 45 T N -2.249 112.171 114.554 -0.223 0.000 3.227 45 T HA 0.022 4.371 4.350 -0.000 0.000 0.257 45 T C 0.845 175.446 174.700 -0.165 0.000 1.162 45 T CA 0.697 62.585 62.100 -0.353 0.000 1.051 45 T CB -0.417 68.113 68.868 -0.563 0.000 0.953 45 T HN 0.153 nan 8.240 nan 0.000 0.535 46 S N -0.924 114.733 115.700 -0.071 0.000 3.025 46 S HA 0.380 4.850 4.470 -0.000 0.000 0.251 46 S C 1.037 175.651 174.600 0.022 0.000 0.954 46 S CA -0.950 57.217 58.200 -0.055 0.000 1.092 46 S CB 0.104 63.269 63.200 -0.058 0.000 1.079 46 S HN 0.331 nan 8.310 nan 0.000 0.543 47 R N 0.265 120.816 120.500 0.086 0.000 2.120 47 R HA 0.057 4.397 4.340 -0.000 0.000 0.234 47 R C 1.933 178.359 176.300 0.210 0.000 1.123 47 R CA 1.217 57.413 56.100 0.160 0.000 0.975 47 R CB -0.421 30.033 30.300 0.255 0.000 0.866 47 R HN 0.394 nan 8.270 nan 0.000 0.446 48 L N 0.954 122.282 121.223 0.175 0.000 2.131 48 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 48 L C 2.259 179.112 176.870 -0.030 0.000 1.092 48 L CA 2.248 57.157 54.840 0.116 0.000 0.759 48 L CB -0.802 41.216 42.059 -0.068 0.000 0.903 48 L HN 0.287 nan 8.230 nan 0.000 0.435 49 T N -3.803 110.680 114.554 -0.118 0.000 3.023 49 T HA -0.059 4.290 4.350 -0.000 0.000 0.266 49 T C 1.920 176.396 174.700 -0.374 0.000 1.093 49 T CA 0.795 62.706 62.100 -0.316 0.000 1.129 49 T CB -0.371 68.305 68.868 -0.320 0.000 0.899 49 T HN 0.177 nan 8.240 nan 0.000 0.491 50 I N 2.200 122.723 120.570 -0.078 0.000 2.353 50 I HA 0.091 4.261 4.170 -0.000 0.000 0.248 50 I C 3.079 179.200 176.117 0.006 0.000 1.119 50 I CA 0.944 62.286 61.300 0.070 0.000 1.417 50 I CB -1.693 36.366 38.000 0.099 0.000 1.078 50 I HN 0.378 nan 8.210 nan 0.000 0.421 51 A N 0.808 123.625 122.820 -0.006 0.000 1.902 51 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 51 A C 2.293 179.800 177.584 -0.128 0.000 1.181 51 A CA 1.407 53.429 52.037 -0.026 0.000 0.623 51 A CB -1.080 17.999 19.000 0.132 0.000 0.818 51 A HN 0.379 nan 8.150 nan 0.000 0.443 52 F N 0.028 119.780 119.950 -0.330 0.000 2.069 52 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 52 F C 1.983 177.436 175.800 -0.577 0.000 1.113 52 F CA 1.792 59.492 58.000 -0.500 0.000 1.214 52 F CB -0.637 37.949 39.000 -0.690 0.000 0.978 52 F HN 0.252 nan 8.300 nan 0.000 0.474 53 F N 0.250 119.807 119.950 -0.655 0.000 2.126 53 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 53 F C 2.597 177.879 175.800 -0.864 0.000 1.096 53 F CA 0.711 58.167 58.000 -0.905 0.000 1.255 53 F CB -0.886 37.947 39.000 -0.279 0.000 0.997 53 F HN 0.151 nan 8.300 nan 0.000 0.479 54 A N 0.426 123.048 122.820 -0.330 0.000 1.872 54 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 54 A C 2.142 179.400 177.584 -0.543 0.000 1.187 54 A CA 1.103 52.912 52.037 -0.380 0.000 0.614 54 A CB -0.953 18.025 19.000 -0.037 0.000 0.826 54 A HN 0.332 nan 8.150 nan 0.000 0.442 55 L N -0.981 119.985 121.223 -0.428 0.000 2.005 55 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 55 L C 2.866 179.463 176.870 -0.454 0.000 1.072 55 L CA 1.574 56.201 54.840 -0.355 0.000 0.744 55 L CB -0.573 41.332 42.059 -0.256 0.000 0.895 55 L HN 0.433 nan 8.230 nan 0.000 0.433 56 S N -0.150 115.124 115.700 -0.711 0.000 2.399 56 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 56 S C 1.937 176.289 174.600 -0.412 0.000 1.022 56 S CA 1.222 59.027 58.200 -0.659 0.000 0.983 56 S CB -0.348 62.080 63.200 -1.286 0.000 0.803 56 S HN 0.548 nan 8.310 nan 0.000 0.480 57 G N 1.159 109.565 108.800 -0.655 0.000 2.402 57 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 57 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 57 G C 1.378 176.020 174.900 -0.430 0.000 1.162 57 G CA 0.574 45.262 45.100 -0.687 0.000 0.777 57 G HN 0.495 nan 8.290 nan 0.000 0.539 58 L N 0.345 121.325 121.223 -0.405 0.000 2.056 58 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 58 L C 2.590 179.420 176.870 -0.067 0.000 1.078 58 L CA 1.344 56.124 54.840 -0.099 0.000 0.749 58 L CB -0.344 41.669 42.059 -0.076 0.000 0.901 58 L HN 0.185 nan 8.230 nan 0.000 0.433 59 D N 0.200 120.526 120.400 -0.124 0.000 2.104 59 D HA -0.278 4.362 4.640 -0.000 0.000 0.194 59 D C 2.124 178.394 176.300 -0.050 0.000 0.994 59 D CA 1.525 55.476 54.000 -0.082 0.000 0.830 59 D CB 0.015 40.750 40.800 -0.110 0.000 0.959 59 D HN 0.030 nan 8.370 nan 0.000 0.452 60 M N -0.468 119.092 119.600 -0.066 0.000 2.279 60 M HA 0.032 4.512 4.480 -0.000 0.000 0.264 60 M C 1.441 177.744 176.300 0.005 0.000 1.062 60 M CA 1.122 56.392 55.300 -0.051 0.000 1.099 60 M CB 0.003 32.541 32.600 -0.102 0.000 1.394 60 M HN 0.112 nan 8.290 nan 0.000 0.426 61 L N -1.398 119.858 121.223 0.054 0.000 2.640 61 L HA 0.137 4.477 4.340 -0.000 0.000 0.230 61 L C 0.208 177.129 176.870 0.085 0.000 1.123 61 L CA -0.106 54.808 54.840 0.124 0.000 0.900 61 L CB -0.281 41.910 42.059 0.220 0.000 1.146 61 L HN 0.248 nan 8.230 nan 0.000 0.484 62 D N 0.345 120.770 120.400 0.042 0.000 2.699 62 D HA -0.194 4.445 4.640 -0.000 0.000 0.239 62 D C 0.186 176.506 176.300 0.034 0.000 1.136 62 D CA 0.741 54.758 54.000 0.029 0.000 0.668 62 D CB -0.816 40.004 40.800 0.033 0.000 1.060 62 D HN 0.196 nan 8.370 nan 0.000 0.429 63 S N -0.336 115.384 115.700 0.033 0.000 2.941 63 S HA 0.218 4.688 4.470 -0.000 0.000 0.251 63 S C 1.538 176.148 174.600 0.016 0.000 1.029 63 S CA -0.596 57.626 58.200 0.035 0.000 1.062 63 S CB 0.246 63.484 63.200 0.064 0.000 0.977 63 S HN 0.390 nan 8.310 nan 0.000 0.552 64 L N 2.190 123.412 121.223 -0.002 0.000 2.353 64 L HA -0.130 4.210 4.340 -0.000 0.000 0.220 64 L C 2.247 179.113 176.870 -0.007 0.000 1.133 64 L CA 1.170 56.000 54.840 -0.016 0.000 0.798 64 L CB -0.269 41.774 42.059 -0.027 0.000 0.922 64 L HN 0.495 nan 8.230 nan 0.000 0.445 65 D N 0.027 120.428 120.400 0.001 0.000 2.310 65 D HA -0.144 4.496 4.640 -0.000 0.000 0.212 65 D C 1.724 178.024 176.300 0.001 0.000 0.965 65 D CA 1.331 55.332 54.000 0.002 0.000 0.879 65 D CB -0.332 40.471 40.800 0.005 0.000 0.921 65 D HN 0.393 nan 8.370 nan 0.000 0.510 66 V N -0.668 119.248 119.914 0.003 0.000 3.592 66 V HA 0.122 4.242 4.120 -0.000 0.000 0.272 66 V C 0.745 176.835 176.094 -0.007 0.000 1.228 66 V CA 0.144 62.445 62.300 0.001 0.000 1.173 66 V CB -1.062 30.767 31.823 0.010 0.000 0.873 66 V HN 0.197 nan 8.190 nan 0.000 0.476 67 V N -2.534 117.373 119.914 -0.010 0.000 3.040 67 V HA 0.602 4.722 4.120 -0.000 0.000 0.312 67 V C -0.361 175.726 176.094 -0.011 0.000 1.115 67 V CA -0.971 61.318 62.300 -0.018 0.000 0.998 67 V CB 1.936 33.742 31.823 -0.028 0.000 1.042 67 V HN 0.235 nan 8.190 nan 0.000 0.433 68 N N 1.933 120.627 118.700 -0.010 0.000 2.602 68 N HA 0.251 4.991 4.740 -0.000 0.000 0.238 68 N C 0.837 176.358 175.510 0.017 0.000 1.084 68 N CA -0.113 52.939 53.050 0.004 0.000 0.952 68 N CB 0.958 39.447 38.487 0.004 0.000 1.244 68 N HN 0.799 nan 8.380 nan 0.000 0.512 69 K N 1.406 121.817 120.400 0.019 0.000 2.113 69 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 69 K C 0.738 177.372 176.600 0.058 0.000 1.047 69 K CA 1.384 57.688 56.287 0.030 0.000 0.928 69 K CB 0.271 32.785 32.500 0.023 0.000 0.716 69 K HN 0.552 nan 8.250 nan 0.000 0.446 70 D N 0.962 121.398 120.400 0.060 0.000 2.117 70 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 70 D C 1.446 177.812 176.300 0.111 0.000 0.982 70 D CA 1.074 55.124 54.000 0.083 0.000 0.828 70 D CB -0.114 40.725 40.800 0.066 0.000 0.967 70 D HN 0.206 nan 8.370 nan 0.000 0.464 71 D N 1.112 121.567 120.400 0.093 0.000 2.097 71 D HA -0.081 4.559 4.640 -0.000 0.000 0.195 71 D C 2.367 178.774 176.300 0.178 0.000 0.989 71 D CA 0.449 54.519 54.000 0.116 0.000 0.827 71 D CB -0.299 40.536 40.800 0.060 0.000 0.966 71 D HN 0.281 nan 8.370 nan 0.000 0.456 72 I N 0.877 121.531 120.570 0.140 0.000 2.286 72 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 72 I C 2.422 178.695 176.117 0.260 0.000 1.115 72 I CA 0.683 62.103 61.300 0.200 0.000 1.392 72 I CB -0.184 37.877 38.000 0.103 0.000 1.065 72 I HN -0.042 nan 8.210 nan 0.000 0.418 73 I N 0.502 121.182 120.570 0.183 0.000 2.286 73 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 73 I C 2.533 178.808 176.117 0.264 0.000 1.115 73 I CA 1.187 62.589 61.300 0.170 0.000 1.392 73 I CB -0.394 37.715 38.000 0.182 0.000 1.065 73 I HN 0.245 nan 8.210 nan 0.000 0.418 74 E N -0.045 120.335 120.200 0.301 0.000 2.072 74 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 74 E C 1.724 178.530 176.600 0.343 0.000 0.985 74 E CA 1.167 57.767 56.400 0.333 0.000 0.801 74 E CB -0.491 29.411 29.700 0.337 0.000 0.750 74 E HN 0.606 nan 8.360 nan 0.000 0.452 75 W N 1.922 123.354 121.300 0.220 0.000 2.335 75 W HA -0.142 4.518 4.660 -0.000 0.000 0.311 75 W C 2.015 178.597 176.519 0.106 0.000 1.213 75 W CA 1.479 58.954 57.345 0.217 0.000 1.274 75 W CB -0.497 29.061 29.460 0.162 0.000 1.148 75 W HN -0.060 nan 8.180 nan 0.000 0.498 76 I N -0.606 119.943 120.570 -0.034 0.000 2.163 76 I HA -0.371 3.799 4.170 -0.000 0.000 0.243 76 I C 2.111 178.112 176.117 -0.193 0.000 1.085 76 I CA 1.471 62.590 61.300 -0.303 0.000 1.347 76 I CB -0.888 36.987 38.000 -0.208 0.000 1.044 76 I HN -0.063 nan 8.210 nan 0.000 0.408 77 Y N 1.061 121.342 120.300 -0.032 0.000 2.403 77 Y HA -0.198 4.352 4.550 -0.000 0.000 0.291 77 Y C 2.905 178.654 175.900 -0.252 0.000 1.143 77 Y CA 1.280 59.343 58.100 -0.063 0.000 1.257 77 Y CB -0.602 37.831 38.460 -0.045 0.000 0.984 77 Y HN 0.272 nan 8.280 nan 0.000 0.550 78 S N -1.070 114.492 115.700 -0.232 0.000 2.522 78 S HA -0.046 4.424 4.470 -0.000 0.000 0.227 78 S C 1.498 175.874 174.600 -0.374 0.000 0.986 78 S CA 0.580 58.500 58.200 -0.467 0.000 0.929 78 S CB -0.601 62.112 63.200 -0.811 0.000 0.769 78 S HN 0.481 nan 8.310 nan 0.000 0.529 79 L N 0.503 121.519 121.223 -0.344 0.000 2.592 79 L HA 0.282 4.622 4.340 -0.000 0.000 0.227 79 L C 1.287 177.950 176.870 -0.345 0.000 1.127 79 L CA -0.014 54.648 54.840 -0.296 0.000 0.884 79 L CB -0.167 41.712 42.059 -0.300 0.000 1.065 79 L HN 0.404 nan 8.230 nan 0.000 0.457 80 Q N 1.370 120.844 119.800 -0.544 0.000 2.304 80 Q HA 0.199 4.539 4.340 -0.000 0.000 0.260 80 Q C -0.727 174.958 176.000 -0.525 0.000 0.965 80 Q CA -0.273 54.948 55.803 -0.970 0.000 0.898 80 Q CB 1.524 29.654 28.738 -1.014 0.000 1.196 80 Q HN -0.021 nan 8.270 nan 0.000 0.402 81 V N 6.858 126.497 119.914 -0.458 0.000 2.356 81 V HA 0.172 4.292 4.120 -0.000 0.000 0.258 81 V C 0.205 176.152 176.094 -0.245 0.000 1.065 81 V CA -0.123 62.014 62.300 -0.273 0.000 0.935 81 V CB 0.165 31.872 31.823 -0.193 0.000 1.061 81 V HN 0.715 nan 8.190 nan 0.000 0.484 82 L N 7.905 129.004 121.223 -0.207 0.000 2.399 82 L HA 0.505 4.845 4.340 -0.000 0.000 0.265 82 L C -1.871 174.926 176.870 -0.121 0.000 1.089 82 L CA -1.843 52.898 54.840 -0.165 0.000 0.802 82 L CB 1.496 43.462 42.059 -0.155 0.000 1.180 82 L HN 0.388 nan 8.230 nan 0.000 0.454 83 P HA 0.078 nan 4.420 nan 0.000 0.271 83 P C -0.538 176.718 177.300 -0.073 0.000 1.216 83 P CA -0.366 62.685 63.100 -0.081 0.000 0.776 83 P CB 0.676 32.332 31.700 -0.072 0.000 0.881 84 T N -1.754 112.762 114.554 -0.063 0.000 2.766 84 T HA 0.252 4.602 4.350 -0.000 0.000 0.295 84 T C 1.750 176.419 174.700 -0.051 0.000 1.024 84 T CA 0.275 62.343 62.100 -0.055 0.000 1.018 84 T CB -0.279 68.560 68.868 -0.048 0.000 1.002 84 T HN 0.455 nan 8.240 nan 0.000 0.532 85 E N 1.139 121.311 120.200 -0.045 0.000 2.065 85 E HA -0.254 4.096 4.350 -0.000 0.000 0.201 85 E C 1.532 178.108 176.600 -0.039 0.000 1.016 85 E CA 1.956 58.331 56.400 -0.041 0.000 0.818 85 E CB -1.439 28.239 29.700 -0.036 0.000 0.749 85 E HN 0.980 nan 8.360 nan 0.000 0.453 86 D N -0.549 119.829 120.400 -0.037 0.000 2.352 86 D HA -0.038 4.602 4.640 -0.000 0.000 0.232 86 D C 0.318 176.596 176.300 -0.037 0.000 1.055 86 D CA 0.320 54.299 54.000 -0.035 0.000 0.891 86 D CB -0.542 40.238 40.800 -0.033 0.000 0.897 86 D HN 0.506 nan 8.370 nan 0.000 0.529 87 R N -0.026 120.449 120.500 -0.042 0.000 3.387 87 R HA -0.170 4.170 4.340 -0.000 0.000 0.254 87 R C 0.450 176.725 176.300 -0.042 0.000 1.006 87 R CA 0.904 56.977 56.100 -0.044 0.000 0.677 87 R CB -2.815 27.460 30.300 -0.043 0.000 1.063 87 R HN 0.453 nan 8.270 nan 0.000 0.453 88 S N -0.180 115.495 115.700 -0.042 0.000 2.577 88 S HA 0.012 4.482 4.470 -0.000 0.000 0.219 88 S C 0.867 175.440 174.600 -0.044 0.000 0.962 88 S CA 0.059 58.235 58.200 -0.041 0.000 0.921 88 S CB 0.156 63.332 63.200 -0.040 0.000 0.789 88 S HN 0.548 nan 8.310 nan 0.000 0.497 89 N N 0.964 119.636 118.700 -0.047 0.000 2.365 89 N HA 0.210 4.950 4.740 -0.000 0.000 0.257 89 N C 0.753 176.232 175.510 -0.051 0.000 1.287 89 N CA -0.408 52.611 53.050 -0.050 0.000 0.882 89 N CB -0.534 37.921 38.487 -0.054 0.000 1.250 89 N HN 0.317 nan 8.380 nan 0.000 0.507 90 L N 0.208 121.403 121.223 -0.047 0.000 2.042 90 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 90 L C 0.927 177.773 176.870 -0.040 0.000 1.076 90 L CA 1.479 56.291 54.840 -0.046 0.000 0.749 90 L CB -0.276 41.759 42.059 -0.040 0.000 0.893 90 L HN 0.056 nan 8.230 nan 0.000 0.432 91 D N -0.116 120.262 120.400 -0.036 0.000 2.403 91 D HA -0.104 4.536 4.640 -0.000 0.000 0.227 91 D C 1.497 177.778 176.300 -0.032 0.000 0.995 91 D CA 0.825 54.806 54.000 -0.030 0.000 0.928 91 D CB 0.054 40.837 40.800 -0.029 0.000 0.887 91 D HN 0.291 nan 8.370 nan 0.000 0.529 92 R N -0.985 119.491 120.500 -0.040 0.000 2.565 92 R HA 0.250 4.590 4.340 -0.000 0.000 0.347 92 R C -0.156 176.112 176.300 -0.053 0.000 1.010 92 R CA -0.247 55.828 56.100 -0.042 0.000 1.126 92 R CB 0.429 30.703 30.300 -0.043 0.000 1.331 92 R HN 0.066 nan 8.270 nan 0.000 0.552 93 C N 0.668 119.933 119.300 -0.058 0.000 2.520 93 C HA 0.787 5.247 4.460 -0.000 0.000 0.376 93 C C 1.395 176.348 174.990 -0.061 0.000 1.268 93 C CA 0.283 59.252 59.018 -0.081 0.000 2.414 93 C CB 0.990 28.678 27.740 -0.087 0.000 2.521 93 C HN 0.785 nan 8.230 nan 0.000 0.618 94 G N 0.594 109.335 108.800 -0.099 0.000 2.366 94 G HA2 0.273 4.233 3.960 -0.000 0.000 0.190 94 G HA3 0.273 4.233 3.960 -0.000 0.000 0.190 94 G C -1.643 173.190 174.900 -0.111 0.000 1.299 94 G CA -0.501 44.604 45.100 0.009 0.000 1.056 94 G HN 0.427 nan 8.290 nan 0.000 0.468 95 F N 1.184 121.091 119.950 -0.073 0.000 2.577 95 F HA 0.775 5.302 4.527 -0.000 0.000 0.318 95 F C 0.828 176.586 175.800 -0.071 0.000 1.065 95 F CA -0.703 57.235 58.000 -0.102 0.000 0.929 95 F CB 2.166 41.080 39.000 -0.144 0.000 1.237 95 F HN 0.386 nan 8.300 nan 0.000 0.468 96 R N 0.074 120.607 120.500 0.056 0.000 2.532 96 R HA 0.468 4.808 4.340 -0.000 0.000 0.272 96 R C 1.056 177.385 176.300 0.048 0.000 1.032 96 R CA -0.260 55.870 56.100 0.050 0.000 1.089 96 R CB 0.676 30.962 30.300 -0.023 0.000 1.098 96 R HN 0.914 nan 8.270 nan 0.000 0.526 97 G N -0.161 108.691 108.800 0.087 0.000 2.464 97 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 97 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 97 G C 0.244 175.190 174.900 0.078 0.000 1.138 97 G CA 0.889 46.004 45.100 0.025 0.000 0.793 97 G HN 0.626 nan 8.290 nan 0.000 0.539 98 S N -1.927 113.874 115.700 0.167 0.000 2.671 98 S HA 0.342 4.812 4.470 -0.000 0.000 0.270 98 S C 0.260 174.977 174.600 0.195 0.000 1.166 98 S CA 0.457 58.784 58.200 0.211 0.000 0.868 98 S CB 0.718 64.100 63.200 0.304 0.000 1.190 98 S HN 0.514 nan 8.310 nan 0.000 0.494 99 S N 0.291 116.110 115.700 0.199 0.000 2.618 99 S HA 0.149 4.619 4.470 -0.000 0.000 0.242 99 S C 1.212 175.854 174.600 0.071 0.000 0.972 99 S CA 0.101 58.352 58.200 0.085 0.000 1.004 99 S CB -1.367 61.915 63.200 0.138 0.000 0.778 99 S HN 1.016 nan 8.310 nan 0.000 0.459 100 Y N 0.474 120.802 120.300 0.046 0.000 2.465 100 Y HA 0.109 4.659 4.550 -0.000 0.000 0.289 100 Y C 1.356 177.270 175.900 0.024 0.000 1.150 100 Y CA 0.213 58.338 58.100 0.042 0.000 1.293 100 Y CB -0.734 37.750 38.460 0.039 0.000 0.977 100 Y HN 0.326 nan 8.280 nan 0.000 0.556 101 L N 0.397 121.289 121.223 -0.552 0.000 2.492 101 L HA 0.189 4.529 4.340 -0.000 0.000 0.223 101 L C 1.830 178.620 176.870 -0.133 0.000 1.132 101 L CA 0.881 55.473 54.840 -0.414 0.000 0.850 101 L CB -0.556 41.124 42.059 -0.631 0.000 0.966 101 L HN 0.637 nan 8.230 nan 0.000 0.454 102 G N 0.827 109.583 108.800 -0.072 0.000 2.132 102 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.234 102 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.234 102 G C 0.245 175.157 174.900 0.021 0.000 0.989 102 G CA -0.292 44.815 45.100 0.012 0.000 0.676 102 G HN 0.266 nan 8.290 nan 0.000 0.522 103 I N 2.799 123.353 120.570 -0.026 0.000 2.556 103 I HA 0.192 4.362 4.170 -0.000 0.000 0.284 103 I C -0.789 175.341 176.117 0.022 0.000 1.114 103 I CA -1.604 59.691 61.300 -0.008 0.000 1.418 103 I CB 0.637 38.591 38.000 -0.077 0.000 1.394 103 I HN 0.028 nan 8.210 nan 0.000 0.552 104 P HA -0.099 nan 4.420 nan 0.000 0.261 104 P C -0.404 176.954 177.300 0.097 0.000 1.183 104 P CA -0.069 63.078 63.100 0.079 0.000 0.761 104 P CB 0.282 32.018 31.700 0.060 0.000 0.785 105 F N 3.827 123.784 119.950 0.010 0.000 2.580 105 F HA -0.049 4.478 4.527 -0.000 0.000 0.398 105 F C 0.549 176.352 175.800 0.005 0.000 1.023 105 F CA 0.956 58.965 58.000 0.016 0.000 1.188 105 F CB -0.068 38.957 39.000 0.042 0.000 1.005 105 F HN 0.404 nan 8.300 nan 0.000 0.546 106 N N 7.344 125.733 118.700 -0.518 0.000 2.664 106 N HA 0.287 5.027 4.740 -0.000 0.000 0.268 106 N C -2.857 172.373 175.510 -0.467 0.000 1.222 106 N CA -1.563 51.280 53.050 -0.345 0.000 0.805 106 N CB 1.316 39.697 38.487 -0.176 0.000 1.399 106 N HN 0.151 nan 8.380 nan 0.000 0.547 107 P HA 0.080 nan 4.420 nan 0.000 0.237 107 P C -0.730 176.466 177.300 -0.175 0.000 1.701 107 P CA 0.205 63.141 63.100 -0.273 0.000 0.955 107 P CB -0.511 31.128 31.700 -0.101 0.000 1.937 108 S N -1.256 114.331 115.700 -0.187 0.000 3.631 108 S HA -0.215 4.255 4.470 -0.000 0.000 0.366 108 S C 1.289 175.776 174.600 -0.189 0.000 0.993 108 S CA 1.583 59.671 58.200 -0.187 0.000 1.167 108 S CB -1.658 61.423 63.200 -0.199 0.000 0.909 108 S HN 0.745 nan 8.310 nan 0.000 0.478 109 K N 0.123 120.434 120.400 -0.147 0.000 2.183 109 K HA 0.513 4.833 4.320 -0.000 0.000 0.218 109 K C 0.810 177.354 176.600 -0.093 0.000 1.025 109 K CA 1.119 57.339 56.287 -0.112 0.000 0.944 109 K CB -1.297 31.158 32.500 -0.075 0.000 0.936 109 K HN 0.916 nan 8.250 nan 0.000 0.460 110 N N 1.087 119.741 118.700 -0.077 0.000 2.294 110 N HA 0.512 5.252 4.740 -0.000 0.000 0.248 110 N C -0.601 174.863 175.510 -0.077 0.000 1.300 110 N CA -0.426 52.586 53.050 -0.065 0.000 0.925 110 N CB -1.039 37.419 38.487 -0.048 0.000 1.188 110 N HN 0.707 nan 8.380 nan 0.000 0.512 111 P HA 0.517 nan 4.420 nan 0.000 0.291 111 P C 0.599 177.853 177.300 -0.077 0.000 1.287 111 P CA 0.957 64.015 63.100 -0.070 0.000 0.767 111 P CB -0.263 31.403 31.700 -0.056 0.000 1.290 112 G N -1.541 107.214 108.800 -0.075 0.000 2.322 112 G HA2 0.563 4.523 3.960 -0.000 0.000 0.309 112 G HA3 0.563 4.523 3.960 -0.000 0.000 0.309 112 G C 0.270 175.136 174.900 -0.056 0.000 1.121 112 G CA 0.904 45.957 45.100 -0.078 0.000 0.886 112 G HN 0.806 nan 8.290 nan 0.000 0.447 113 T N 1.008 115.533 114.554 -0.049 0.000 2.775 113 T HA 0.607 4.957 4.350 -0.000 0.000 0.287 113 T C 0.880 175.579 174.700 -0.003 0.000 0.909 113 T CA 0.223 62.309 62.100 -0.023 0.000 1.081 113 T CB 0.004 68.865 68.868 -0.012 0.000 0.891 113 T HN 1.208 nan 8.240 nan 0.000 0.544 114 A N 3.802 126.617 122.820 -0.008 0.000 2.584 114 A HA 0.448 4.768 4.320 -0.000 0.000 0.239 114 A C 0.281 177.894 177.584 0.048 0.000 1.043 114 A CA 0.222 52.259 52.037 0.000 0.000 0.756 114 A CB -0.138 18.846 19.000 -0.026 0.000 0.963 114 A HN 0.984 nan 8.150 nan 0.000 0.511 115 H N 3.144 122.177 119.070 -0.063 0.000 3.042 115 H HA 0.319 4.875 4.556 -0.000 0.000 0.345 115 H C -2.434 172.843 175.328 -0.085 0.000 1.052 115 H CA -1.427 54.591 56.048 -0.051 0.000 1.311 115 H CB 1.950 31.689 29.762 -0.038 0.000 1.810 115 H HN 0.356 nan 8.280 nan 0.000 0.505 116 P HA -0.127 nan 4.420 nan 0.000 0.217 116 P C -0.009 177.054 177.300 -0.394 0.000 1.148 116 P CA 1.536 64.484 63.100 -0.253 0.000 0.834 116 P CB 0.093 31.589 31.700 -0.340 0.000 0.783 117 Y N -2.693 117.835 120.300 0.381 0.000 2.707 117 Y HA 0.268 4.818 4.550 -0.000 0.000 0.249 117 Y C 0.161 176.049 175.900 -0.020 0.000 1.166 117 Y CA -0.975 57.219 58.100 0.156 0.000 1.184 117 Y CB 0.018 38.572 38.460 0.155 0.000 1.240 117 Y HN -0.160 nan 8.280 nan 0.000 0.547 118 D N 1.484 121.884 120.400 -0.000 0.000 2.280 118 D HA 0.467 5.107 4.640 -0.000 0.000 0.243 118 D C -0.194 176.061 176.300 -0.075 0.000 1.129 118 D CA 0.145 54.045 54.000 -0.168 0.000 0.848 118 D CB 0.755 41.387 40.800 -0.281 0.000 1.107 118 D HN 0.160 nan 8.370 nan 0.000 0.471 119 S N 1.586 117.252 115.700 -0.056 0.000 2.615 119 S HA 0.768 5.238 4.470 -0.000 0.000 0.269 119 S C 0.145 174.738 174.600 -0.013 0.000 1.161 119 S CA -0.845 57.334 58.200 -0.035 0.000 0.817 119 S CB 0.888 64.082 63.200 -0.010 0.000 1.131 119 S HN 0.452 nan 8.310 nan 0.000 0.467 120 G N -0.062 108.730 108.800 -0.012 0.000 2.580 120 G HA2 0.504 4.464 3.960 -0.000 0.000 0.278 120 G HA3 0.504 4.464 3.960 -0.000 0.000 0.278 120 G C -0.851 174.091 174.900 0.071 0.000 1.212 120 G CA -0.305 44.813 45.100 0.031 0.000 0.939 120 G HN 0.862 nan 8.290 nan 0.000 0.513 121 H N 0.736 119.805 119.070 -0.002 0.000 2.658 121 H HA 0.230 4.786 4.556 -0.000 0.000 0.337 121 H C 1.073 176.364 175.328 -0.062 0.000 1.009 121 H CA -0.704 55.318 56.048 -0.044 0.000 1.231 121 H CB 1.761 31.514 29.762 -0.015 0.000 1.508 121 H HN 0.387 nan 8.280 nan 0.000 0.517 122 I N 4.001 124.427 120.570 -0.240 0.000 2.185 122 I HA -0.352 3.818 4.170 -0.000 0.000 0.246 122 I C 1.948 178.107 176.117 0.070 0.000 1.088 122 I CA 1.966 63.185 61.300 -0.134 0.000 1.347 122 I CB -0.071 37.747 38.000 -0.304 0.000 1.041 122 I HN 0.712 nan 8.210 nan 0.000 0.415 123 A N -0.157 122.826 122.820 0.273 0.000 2.066 123 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 123 A C 2.110 179.777 177.584 0.138 0.000 1.157 123 A CA 1.185 53.417 52.037 0.324 0.000 0.670 123 A CB -0.287 18.970 19.000 0.429 0.000 0.804 123 A HN 0.432 nan 8.150 nan 0.000 0.453 124 M N -0.875 118.810 119.600 0.141 0.000 2.287 124 M HA -0.012 4.468 4.480 -0.000 0.000 0.266 124 M C 2.052 178.301 176.300 -0.086 0.000 1.079 124 M CA 1.596 56.882 55.300 -0.023 0.000 1.146 124 M CB -1.972 30.647 32.600 0.032 0.000 1.374 124 M HN 0.326 nan 8.290 nan 0.000 0.435 125 T N 0.497 115.068 114.554 0.028 0.000 2.746 125 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 125 T C 1.698 176.293 174.700 -0.175 0.000 1.039 125 T CA 1.507 63.600 62.100 -0.011 0.000 1.142 125 T CB -0.461 68.468 68.868 0.101 0.000 0.866 125 T HN 0.351 nan 8.240 nan 0.000 0.444 126 Y N 2.936 123.105 120.300 -0.219 0.000 2.109 126 Y HA -0.188 4.362 4.550 -0.000 0.000 0.285 126 Y C 2.718 178.391 175.900 -0.378 0.000 1.131 126 Y CA 1.881 59.816 58.100 -0.274 0.000 1.121 126 Y CB -1.254 37.067 38.460 -0.232 0.000 0.987 126 Y HN 0.298 nan 8.280 nan 0.000 0.495 127 T N -2.025 111.987 114.554 -0.905 0.000 2.915 127 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 127 T C 2.206 176.520 174.700 -0.643 0.000 1.071 127 T CA 1.079 62.532 62.100 -1.077 0.000 1.132 127 T CB -1.321 67.018 68.868 -0.881 0.000 0.878 127 T HN 0.430 nan 8.240 nan 0.000 0.479 128 G N 1.935 110.367 108.800 -0.614 0.000 2.453 128 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.215 128 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.215 128 G C 1.496 175.946 174.900 -0.750 0.000 1.201 128 G CA 0.711 45.349 45.100 -0.769 0.000 0.784 128 G HN 0.505 nan 8.290 nan 0.000 0.545 129 L N 0.594 121.384 121.223 -0.722 0.000 2.042 129 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 129 L C 3.107 179.813 176.870 -0.274 0.000 1.076 129 L CA 1.349 55.932 54.840 -0.428 0.000 0.749 129 L CB -0.497 41.413 42.059 -0.247 0.000 0.893 129 L HN 0.342 nan 8.230 nan 0.000 0.432 130 S N -0.928 114.589 115.700 -0.305 0.000 2.370 130 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 130 S C 2.160 176.691 174.600 -0.115 0.000 1.033 130 S CA 1.632 59.712 58.200 -0.200 0.000 1.011 130 S CB -0.301 62.654 63.200 -0.407 0.000 0.852 130 S HN 0.509 nan 8.310 nan 0.000 0.457 131 C N 1.011 120.215 119.300 -0.160 0.000 2.446 131 C HA 0.091 4.551 4.460 -0.000 0.000 0.277 131 C C 2.512 177.430 174.990 -0.120 0.000 1.275 131 C CA 0.478 59.432 59.018 -0.107 0.000 1.727 131 C CB -1.542 26.131 27.740 -0.111 0.000 2.010 131 C HN 0.582 nan 8.230 nan 0.000 0.486 132 L N 0.446 121.560 121.223 -0.181 0.000 2.012 132 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 132 L C 2.387 179.220 176.870 -0.062 0.000 1.073 132 L CA 1.666 56.420 54.840 -0.143 0.000 0.748 132 L CB -0.562 41.369 42.059 -0.214 0.000 0.891 132 L HN 0.363 nan 8.230 nan 0.000 0.431 133 I N -0.234 120.299 120.570 -0.062 0.000 2.226 133 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 133 I C 2.430 178.523 176.117 -0.040 0.000 1.100 133 I CA 1.447 62.724 61.300 -0.039 0.000 1.374 133 I CB -0.255 37.718 38.000 -0.045 0.000 1.057 133 I HN 0.179 nan 8.210 nan 0.000 0.413 134 I N 0.594 121.135 120.570 -0.048 0.000 2.264 134 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 134 I C 2.211 178.301 176.117 -0.045 0.000 1.111 134 I CA 1.519 62.787 61.300 -0.054 0.000 1.382 134 I CB -0.281 37.669 38.000 -0.084 0.000 1.060 134 I HN 0.229 nan 8.210 nan 0.000 0.418 135 L N 0.219 121.419 121.223 -0.038 0.000 2.552 135 L HA 0.077 4.417 4.340 -0.000 0.000 0.227 135 L C 1.679 178.550 176.870 0.003 0.000 1.146 135 L CA 0.764 55.594 54.840 -0.017 0.000 0.858 135 L CB -0.353 41.702 42.059 -0.006 0.000 0.969 135 L HN 0.549 nan 8.230 nan 0.000 0.451 136 G N -0.188 108.612 108.800 0.001 0.000 2.194 136 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.236 136 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.236 136 G C 0.122 175.046 174.900 0.039 0.000 0.987 136 G CA 0.161 45.269 45.100 0.014 0.000 0.635 136 G HN 0.425 nan 8.290 nan 0.000 0.520 137 D N 0.681 121.116 120.400 0.058 0.000 2.378 137 D HA 0.409 5.049 4.640 -0.000 0.000 0.238 137 D C 1.369 177.741 176.300 0.120 0.000 1.180 137 D CA 0.648 54.716 54.000 0.113 0.000 0.895 137 D CB 0.496 41.390 40.800 0.156 0.000 1.192 137 D HN 0.325 nan 8.370 nan 0.000 0.438 138 D N 1.403 121.901 120.400 0.164 0.000 2.363 138 D HA 0.064 4.704 4.640 -0.000 0.000 0.214 138 D C 0.559 177.048 176.300 0.316 0.000 1.093 138 D CA -0.254 53.870 54.000 0.206 0.000 0.837 138 D CB 0.006 40.919 40.800 0.189 0.000 0.948 138 D HN 0.311 nan 8.370 nan 0.000 0.507 139 L N 0.307 121.704 121.223 0.291 0.000 4.291 139 L HA -0.285 4.055 4.340 -0.000 0.000 0.413 139 L C 1.706 178.692 176.870 0.194 0.000 1.162 139 L CA 1.008 56.029 54.840 0.302 0.000 0.961 139 L CB -2.953 39.310 42.059 0.340 0.000 2.095 139 L HN 0.343 nan 8.230 nan 0.000 0.838 140 S N -1.445 114.343 115.700 0.147 0.000 2.423 140 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 140 S C 1.687 176.263 174.600 -0.040 0.000 1.014 140 S CA 1.114 59.328 58.200 0.023 0.000 0.965 140 S CB -0.180 63.032 63.200 0.020 0.000 0.785 140 S HN 0.645 nan 8.310 nan 0.000 0.495 141 R N 0.795 121.255 120.500 -0.067 0.000 2.310 141 R HA 0.289 4.629 4.340 -0.000 0.000 0.202 141 R C -0.494 175.801 176.300 -0.009 0.000 0.933 141 R CA -0.036 55.923 56.100 -0.236 0.000 1.054 141 R CB 0.061 29.857 30.300 -0.839 0.000 0.985 141 R HN 0.257 nan 8.270 nan 0.000 0.489 142 V N 2.100 122.114 119.914 0.167 0.000 2.432 142 V HA -0.002 4.118 4.120 -0.000 0.000 0.271 142 V C 0.254 176.361 176.094 0.023 0.000 1.046 142 V CA -0.545 61.873 62.300 0.197 0.000 0.945 142 V CB 1.258 33.220 31.823 0.232 0.000 0.992 142 V HN 0.105 nan 8.190 nan 0.000 0.471 143 D N 5.008 125.399 120.400 -0.015 0.000 2.498 143 D HA 0.079 4.719 4.640 -0.000 0.000 0.229 143 D C 1.271 177.537 176.300 -0.057 0.000 1.188 143 D CA 0.015 53.977 54.000 -0.063 0.000 1.028 143 D CB 0.460 41.212 40.800 -0.081 0.000 1.087 143 D HN 0.514 nan 8.370 nan 0.000 0.510 144 K N 1.477 121.827 120.400 -0.084 0.000 2.059 144 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 144 K C 1.489 178.041 176.600 -0.080 0.000 1.050 144 K CA 1.024 57.255 56.287 -0.094 0.000 0.927 144 K CB 0.259 32.648 32.500 -0.184 0.000 0.714 144 K HN 0.357 nan 8.250 nan 0.000 0.447 145 E N 0.266 120.415 120.200 -0.085 0.000 2.150 145 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 145 E C 1.969 178.538 176.600 -0.053 0.000 0.985 145 E CA 1.003 57.363 56.400 -0.066 0.000 0.814 145 E CB -0.113 29.547 29.700 -0.066 0.000 0.752 145 E HN 0.335 nan 8.360 nan 0.000 0.466 146 A N 0.709 123.495 122.820 -0.056 0.000 1.872 146 A HA -0.154 4.165 4.320 -0.000 0.000 0.214 146 A C 2.619 180.179 177.584 -0.041 0.000 1.187 146 A CA 1.240 53.245 52.037 -0.053 0.000 0.614 146 A CB -0.863 18.096 19.000 -0.070 0.000 0.826 146 A HN 0.335 nan 8.150 nan 0.000 0.442 147 C N -0.533 118.750 119.300 -0.029 0.000 2.413 147 C HA -0.080 4.380 4.460 -0.000 0.000 0.276 147 C C 2.639 177.622 174.990 -0.012 0.000 1.248 147 C CA 1.062 60.078 59.018 -0.003 0.000 1.742 147 C CB -1.550 26.213 27.740 0.039 0.000 2.017 147 C HN 0.617 nan 8.230 nan 0.000 0.481 148 L N 0.995 122.203 121.223 -0.025 0.000 2.083 148 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 148 L C 2.867 179.734 176.870 -0.004 0.000 1.083 148 L CA 1.495 56.321 54.840 -0.023 0.000 0.752 148 L CB -0.770 41.267 42.059 -0.036 0.000 0.899 148 L HN 0.341 nan 8.230 nan 0.000 0.433 149 A N 0.409 123.221 122.820 -0.014 0.000 1.898 149 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 149 A C 2.422 180.004 177.584 -0.004 0.000 1.181 149 A CA 1.636 53.667 52.037 -0.010 0.000 0.620 149 A CB -1.184 17.803 19.000 -0.023 0.000 0.819 149 A HN 0.422 nan 8.150 nan 0.000 0.442 150 G N -0.354 108.441 108.800 -0.009 0.000 2.418 150 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 150 G HA3 -0.181 3.779 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 0.931 46.028 45.100 -0.006 0.000 0.771 150 G HN 0.402 nan 8.290 nan 0.000 0.545 151 L N -0.165 121.077 121.223 0.032 0.000 1.989 151 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 151 L C 3.234 180.208 176.870 0.174 0.000 1.071 151 L CA 1.358 56.249 54.840 0.086 0.000 0.749 151 L CB -0.293 41.791 42.059 0.042 0.000 0.890 151 L HN 0.208 nan 8.230 nan 0.000 0.431 152 R N -0.581 119.986 120.500 0.112 0.000 2.117 152 R HA -0.216 4.124 4.340 -0.000 0.000 0.243 152 R C 2.157 178.472 176.300 0.026 0.000 1.143 152 R CA 1.478 57.629 56.100 0.084 0.000 0.968 152 R CB -0.462 29.863 30.300 0.041 0.000 0.863 152 R HN 0.449 nan 8.270 nan 0.000 0.444 153 A N 0.671 123.502 122.820 0.018 0.000 2.067 153 A HA -0.077 4.242 4.320 -0.000 0.000 0.219 153 A C 1.990 179.561 177.584 -0.021 0.000 1.158 153 A CA 0.985 53.015 52.037 -0.011 0.000 0.661 153 A CB -0.272 18.721 19.000 -0.012 0.000 0.801 153 A HN 0.203 nan 8.150 nan 0.000 0.452 154 L N -0.992 120.245 121.223 0.024 0.000 2.418 154 L HA 0.033 4.373 4.340 -0.000 0.000 0.218 154 L C 1.412 178.216 176.870 -0.108 0.000 1.125 154 L CA 0.049 54.909 54.840 0.033 0.000 0.835 154 L CB -0.226 41.929 42.059 0.159 0.000 0.953 154 L HN 0.504 nan 8.230 nan 0.000 0.454 155 Q N 1.410 121.000 119.800 -0.349 0.000 2.314 155 Q HA 0.309 4.649 4.340 -0.000 0.000 0.258 155 Q C -0.561 175.189 176.000 -0.417 0.000 0.954 155 Q CA -0.099 55.208 55.803 -0.827 0.000 0.890 155 Q CB 0.905 29.032 28.738 -1.019 0.000 1.210 155 Q HN 0.231 nan 8.270 nan 0.000 0.410 156 L N 2.563 123.555 121.223 -0.385 0.000 2.448 156 L HA 0.303 4.643 4.340 -0.000 0.000 0.258 156 L C 1.810 178.577 176.870 -0.172 0.000 1.104 156 L CA 0.085 54.799 54.840 -0.209 0.000 0.800 156 L CB 0.462 42.429 42.059 -0.153 0.000 1.241 156 L HN 0.915 nan 8.230 nan 0.000 0.472 157 E N 0.787 120.929 120.200 -0.098 0.000 2.118 157 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 157 E C 1.284 177.858 176.600 -0.043 0.000 0.992 157 E CA 1.688 58.050 56.400 -0.062 0.000 0.804 157 E CB -0.860 28.820 29.700 -0.033 0.000 0.741 157 E HN 0.883 nan 8.360 nan 0.000 0.458 158 D N -2.107 118.277 120.400 -0.026 0.000 2.363 158 D HA 0.233 4.873 4.640 -0.000 0.000 0.226 158 D C 1.512 177.845 176.300 0.054 0.000 1.020 158 D CA 1.212 55.242 54.000 0.050 0.000 0.892 158 D CB 0.015 40.897 40.800 0.136 0.000 0.900 158 D HN 0.876 nan 8.370 nan 0.000 0.531 159 G N -0.239 108.505 108.800 -0.095 0.000 2.232 159 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.226 159 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.226 159 G C 0.544 175.258 174.900 -0.310 0.000 0.996 159 G CA 0.398 45.423 45.100 -0.125 0.000 0.626 159 G HN 0.831 nan 8.290 nan 0.000 0.509 160 S N -0.162 115.200 115.700 -0.563 0.000 2.661 160 S HA 0.813 5.283 4.470 -0.000 0.000 0.265 160 S C -0.160 174.216 174.600 -0.372 0.000 1.225 160 S CA -0.310 57.502 58.200 -0.646 0.000 0.986 160 S CB 1.256 63.741 63.200 -1.192 0.000 1.008 160 S HN 0.551 nan 8.310 nan 0.000 0.565 161 F N -1.274 118.600 119.950 -0.128 0.000 2.593 161 F HA 0.597 5.124 4.527 -0.000 0.000 0.320 161 F C 0.366 176.231 175.800 0.108 0.000 1.060 161 F CA -0.998 57.001 58.000 -0.002 0.000 0.940 161 F CB 1.514 40.537 39.000 0.039 0.000 1.268 161 F HN 0.669 nan 8.300 nan 0.000 0.475 162 C N 0.470 119.885 119.300 0.190 0.000 2.345 162 C HA 0.699 5.159 4.460 -0.000 0.000 0.370 162 C C 1.457 176.270 174.990 -0.293 0.000 1.209 162 C CA -0.045 59.008 59.018 0.060 0.000 2.133 162 C CB 1.367 29.104 27.740 -0.006 0.000 2.293 162 C HN 0.973 nan 8.230 nan 0.000 0.544 163 A N 0.378 122.805 122.820 -0.654 0.000 1.997 163 A HA 0.381 4.701 4.320 -0.000 0.000 0.212 163 A C 0.580 177.765 177.584 -0.665 0.000 1.178 163 A CA 1.133 52.497 52.037 -1.123 0.000 0.698 163 A CB -0.172 17.886 19.000 -1.570 0.000 0.842 163 A HN 1.237 nan 8.150 nan 0.000 0.458 164 V N -4.890 114.813 119.914 -0.352 0.000 3.007 164 V HA 0.504 4.624 4.120 -0.000 0.000 0.311 164 V C -2.371 173.675 176.094 -0.081 0.000 1.120 164 V CA -1.672 60.526 62.300 -0.172 0.000 0.980 164 V CB 1.804 33.583 31.823 -0.074 0.000 1.033 164 V HN 0.060 nan 8.190 nan 0.000 0.429 165 P HA -0.107 nan 4.420 nan 0.000 0.219 165 P C 0.896 178.193 177.300 -0.004 0.000 1.146 165 P CA 1.362 64.447 63.100 -0.024 0.000 0.808 165 P CB 0.403 32.090 31.700 -0.022 0.000 0.779 166 E N -0.210 120.000 120.200 0.018 0.000 2.418 166 E HA 0.236 4.586 4.350 -0.000 0.000 0.197 166 E C 1.125 177.748 176.600 0.039 0.000 1.026 166 E CA 0.801 57.228 56.400 0.045 0.000 0.862 166 E CB -0.644 29.112 29.700 0.094 0.000 0.799 166 E HN 0.356 nan 8.360 nan 0.000 0.518 167 G N -0.452 108.359 108.800 0.019 0.000 2.640 167 G HA2 0.216 4.176 3.960 -0.000 0.000 0.686 167 G HA3 0.216 4.176 3.960 -0.000 0.000 0.686 167 G C -0.235 174.685 174.900 0.035 0.000 1.229 167 G CA -0.463 44.651 45.100 0.023 0.000 0.796 167 G HN 0.606 nan 8.290 nan 0.000 0.654 168 S N -0.508 115.221 115.700 0.047 0.000 2.671 168 S HA 0.755 5.225 4.470 -0.000 0.000 0.270 168 S C -0.434 174.241 174.600 0.124 0.000 1.166 168 S CA 0.114 58.365 58.200 0.085 0.000 0.868 168 S CB 1.345 64.587 63.200 0.069 0.000 1.190 168 S HN 2.037 nan 8.310 nan 0.000 0.494 169 E N 1.446 121.757 120.200 0.185 0.000 2.392 169 E HA 0.322 4.672 4.350 -0.000 0.000 0.259 169 E C -0.875 175.881 176.600 0.261 0.000 1.108 169 E CA -0.450 56.058 56.400 0.179 0.000 0.916 169 E CB 0.124 29.919 29.700 0.158 0.000 0.989 169 E HN 0.743 nan 8.360 nan 0.000 0.432 170 N N 0.777 119.581 118.700 0.173 0.000 2.295 170 N HA 0.375 5.115 4.740 -0.000 0.000 0.293 170 N C -1.410 174.144 175.510 0.073 0.000 1.040 170 N CA -0.544 52.617 53.050 0.184 0.000 0.840 170 N CB 2.061 40.601 38.487 0.090 0.000 1.468 170 N HN 0.618 nan 8.380 nan 0.000 0.478 171 D N -0.030 120.375 120.400 0.009 0.000 2.865 171 D HA 0.131 4.771 4.640 -0.000 0.000 0.343 171 D C 0.642 176.949 176.300 0.012 0.000 1.372 171 D CA -0.666 53.340 54.000 0.011 0.000 0.862 171 D CB 0.469 41.233 40.800 -0.060 0.000 1.425 171 D HN 0.207 nan 8.370 nan 0.000 0.501 172 M N 0.038 119.721 119.600 0.138 0.000 2.144 172 M HA 0.034 4.514 4.480 -0.000 0.000 0.260 172 M C 1.833 178.170 176.300 0.062 0.000 1.067 172 M CA 1.792 57.191 55.300 0.164 0.000 1.095 172 M CB -0.374 32.307 32.600 0.135 0.000 1.365 172 M HN 0.457 nan 8.290 nan 0.000 0.406 173 R N -1.338 119.095 120.500 -0.111 0.000 2.103 173 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 173 R C 2.037 178.382 176.300 0.074 0.000 1.142 173 R CA 2.009 58.045 56.100 -0.108 0.000 0.960 173 R CB -0.670 29.394 30.300 -0.393 0.000 0.858 173 R HN 0.434 nan 8.270 nan 0.000 0.439 174 F N -0.553 119.461 119.950 0.107 0.000 2.615 174 F HA -0.058 4.469 4.527 -0.000 0.000 0.297 174 F C 2.203 177.944 175.800 -0.099 0.000 1.124 174 F CA -0.201 57.817 58.000 0.029 0.000 1.451 174 F CB 0.082 39.120 39.000 0.065 0.000 1.103 174 F HN -0.175 nan 8.300 nan 0.000 0.569 175 V N -0.351 119.663 119.914 0.166 0.000 2.427 175 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 175 V C 2.035 178.124 176.094 -0.008 0.000 1.051 175 V CA 1.730 64.078 62.300 0.081 0.000 1.048 175 V CB -0.717 31.242 31.823 0.227 0.000 0.666 175 V HN 0.388 nan 8.190 nan 0.000 0.456 176 Y N 0.289 120.571 120.300 -0.029 0.000 2.200 176 Y HA -0.254 4.295 4.550 -0.000 0.000 0.290 176 Y C 2.527 178.307 175.900 -0.200 0.000 1.137 176 Y CA 1.649 59.710 58.100 -0.065 0.000 1.163 176 Y CB -0.723 37.752 38.460 0.026 0.000 0.988 176 Y HN 0.242 nan 8.280 nan 0.000 0.518 177 C N 0.378 119.504 119.300 -0.289 0.000 2.432 177 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 177 C C 3.081 177.773 174.990 -0.496 0.000 1.249 177 C CA 1.225 59.956 59.018 -0.479 0.000 1.725 177 C CB -1.755 25.944 27.740 -0.069 0.000 2.028 177 C HN 0.734 nan 8.230 nan 0.000 0.477 178 A N 0.453 122.961 122.820 -0.520 0.000 1.908 178 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 178 A C 2.262 179.580 177.584 -0.443 0.000 1.181 178 A CA 2.390 54.039 52.037 -0.647 0.000 0.627 178 A CB -0.831 17.290 19.000 -1.464 0.000 0.818 178 A HN 0.565 nan 8.150 nan 0.000 0.445 179 S N -0.948 114.554 115.700 -0.331 0.000 2.368 179 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 179 S C 1.947 176.368 174.600 -0.298 0.000 1.030 179 S CA 1.422 59.547 58.200 -0.126 0.000 0.999 179 S CB -0.706 62.533 63.200 0.065 0.000 0.844 179 S HN 0.718 nan 8.310 nan 0.000 0.459 180 C N 1.279 120.278 119.300 -0.501 0.000 2.429 180 C HA 0.028 4.488 4.460 -0.000 0.000 0.277 180 C C 2.443 177.292 174.990 -0.236 0.000 1.262 180 C CA 0.238 58.989 59.018 -0.444 0.000 1.733 180 C CB -1.346 25.857 27.740 -0.895 0.000 2.010 180 C HN 0.547 nan 8.230 nan 0.000 0.483 181 I N 0.067 120.469 120.570 -0.281 0.000 2.142 181 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 181 I C 2.576 178.533 176.117 -0.267 0.000 1.078 181 I CA 1.488 62.676 61.300 -0.187 0.000 1.343 181 I CB -0.531 37.363 38.000 -0.177 0.000 1.046 181 I HN 0.363 nan 8.210 nan 0.000 0.405 182 C N -0.264 118.747 119.300 -0.481 0.000 2.413 182 C HA -0.230 4.230 4.460 -0.000 0.000 0.277 182 C C 2.795 177.260 174.990 -0.874 0.000 1.265 182 C CA 0.725 59.259 59.018 -0.808 0.000 1.752 182 C CB -1.055 25.874 27.740 -1.352 0.000 1.998 182 C HN 0.511 nan 8.230 nan 0.000 0.489 183 Y N 0.925 120.759 120.300 -0.776 0.000 2.163 183 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 183 Y C 2.489 178.357 175.900 -0.053 0.000 1.136 183 Y CA 1.721 59.641 58.100 -0.301 0.000 1.147 183 Y CB -0.363 38.070 38.460 -0.046 0.000 0.987 183 Y HN 0.233 nan 8.280 nan 0.000 0.509 184 M N -0.638 119.028 119.600 0.110 0.000 2.175 184 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 184 M C 1.610 178.070 176.300 0.267 0.000 1.063 184 M CA 1.409 56.814 55.300 0.176 0.000 1.119 184 M CB -0.222 32.450 32.600 0.121 0.000 1.377 184 M HN 0.239 nan 8.290 nan 0.000 0.415 185 L N 0.027 121.307 121.223 0.096 0.000 2.612 185 L HA 0.036 4.376 4.340 -0.000 0.000 0.230 185 L C 0.436 177.345 176.870 0.066 0.000 1.140 185 L CA -0.228 54.698 54.840 0.143 0.000 0.896 185 L CB -0.870 41.173 42.059 -0.026 0.000 1.065 185 L HN 0.422 nan 8.230 nan 0.000 0.447 186 N N 2.164 120.774 118.700 -0.149 0.000 2.707 186 N HA -0.275 4.465 4.740 -0.000 0.000 0.253 186 N C -0.477 174.907 175.510 -0.210 0.000 0.998 186 N CA 0.458 53.268 53.050 -0.399 0.000 0.751 186 N CB -0.857 37.106 38.487 -0.874 0.000 0.920 186 N HN 0.471 nan 8.380 nan 0.000 0.539 187 N N -0.106 118.431 118.700 -0.272 0.000 2.578 187 N HA 0.152 4.892 4.740 -0.000 0.000 0.282 187 N C -0.790 174.568 175.510 -0.254 0.000 1.119 187 N CA -0.513 52.450 53.050 -0.146 0.000 0.948 187 N CB 0.106 38.534 38.487 -0.097 0.000 1.546 187 N HN 0.265 nan 8.380 nan 0.000 0.525 188 W N 1.956 123.256 121.300 0.000 0.000 3.400 188 W HA 0.154 4.814 4.660 -0.000 0.000 0.347 188 W C 1.868 178.403 176.519 0.027 0.000 1.218 188 W CA -0.151 57.206 57.345 0.020 0.000 1.837 188 W CB 0.154 29.630 29.460 0.027 0.000 1.067 188 W HN 0.642 nan 8.180 nan 0.000 0.701 189 S N -1.308 114.469 115.700 0.128 0.000 2.555 189 S HA -0.008 4.462 4.470 -0.000 0.000 0.230 189 S C 1.953 176.602 174.600 0.081 0.000 0.978 189 S CA 0.858 59.116 58.200 0.097 0.000 0.934 189 S CB -0.432 62.797 63.200 0.048 0.000 0.766 189 S HN 0.266 nan 8.310 nan 0.000 0.533 190 G N 1.399 110.235 108.800 0.060 0.000 2.598 190 G HA2 0.289 4.249 3.960 -0.000 0.000 0.215 190 G HA3 0.289 4.249 3.960 -0.000 0.000 0.215 190 G C 0.370 175.373 174.900 0.171 0.000 1.131 190 G CA 0.600 45.736 45.100 0.060 0.000 0.785 190 G HN 0.757 nan 8.290 nan 0.000 0.539 191 M N -2.319 117.417 119.600 0.226 0.000 2.644 191 M HA 0.464 4.944 4.480 -0.000 0.000 0.273 191 M C -2.187 174.243 176.300 0.217 0.000 1.253 191 M CA -1.021 54.465 55.300 0.309 0.000 0.852 191 M CB 2.136 35.048 32.600 0.521 0.000 1.708 191 M HN -0.180 nan 8.290 nan 0.000 0.471 192 D N 2.358 122.846 120.400 0.146 0.000 2.494 192 D HA 0.234 4.874 4.640 -0.000 0.000 0.217 192 D C 0.665 177.030 176.300 0.109 0.000 1.153 192 D CA -0.123 53.929 54.000 0.087 0.000 0.954 192 D CB 0.874 41.687 40.800 0.021 0.000 1.034 192 D HN 0.857 nan 8.370 nan 0.000 0.518 193 M N 3.374 123.050 119.600 0.126 0.000 2.144 193 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 193 M C 1.882 178.206 176.300 0.040 0.000 1.067 193 M CA 1.546 56.902 55.300 0.093 0.000 1.095 193 M CB 0.138 32.747 32.600 0.015 0.000 1.365 193 M HN 0.246 nan 8.290 nan 0.000 0.406 194 K N 0.156 120.567 120.400 0.019 0.000 2.057 194 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 194 K C 1.771 178.380 176.600 0.016 0.000 1.049 194 K CA 1.601 57.889 56.287 0.001 0.000 0.931 194 K CB -0.007 32.490 32.500 -0.005 0.000 0.714 194 K HN 0.392 nan 8.250 nan 0.000 0.440 195 K N -0.094 120.322 120.400 0.027 0.000 2.097 195 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 195 K C 2.180 178.825 176.600 0.075 0.000 1.050 195 K CA 1.027 57.333 56.287 0.032 0.000 0.938 195 K CB -0.085 32.413 32.500 -0.003 0.000 0.718 195 K HN 0.175 nan 8.250 nan 0.000 0.442 196 A N 1.766 124.648 122.820 0.103 0.000 1.902 196 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 196 A C 2.132 179.814 177.584 0.164 0.000 1.181 196 A CA 1.235 53.380 52.037 0.180 0.000 0.623 196 A CB -0.592 18.566 19.000 0.263 0.000 0.818 196 A HN 0.159 nan 8.150 nan 0.000 0.443 197 I N -0.554 120.062 120.570 0.077 0.000 2.208 197 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 197 I C 2.850 178.967 176.117 -0.001 0.000 1.097 197 I CA 1.533 62.836 61.300 0.004 0.000 1.363 197 I CB -0.229 37.735 38.000 -0.059 0.000 1.051 197 I HN 0.438 nan 8.210 nan 0.000 0.413 198 S N 0.094 115.810 115.700 0.028 0.000 2.368 198 S HA -0.276 4.194 4.470 -0.000 0.000 0.225 198 S C 2.177 176.811 174.600 0.058 0.000 1.030 198 S CA 1.385 59.599 58.200 0.023 0.000 0.999 198 S CB -0.444 62.776 63.200 0.033 0.000 0.844 198 S HN 0.501 nan 8.310 nan 0.000 0.459 199 Y N 1.707 122.009 120.300 0.004 0.000 2.181 199 Y HA -0.031 4.519 4.550 -0.000 0.000 0.288 199 Y C 1.928 177.844 175.900 0.026 0.000 1.146 199 Y CA 1.782 59.894 58.100 0.020 0.000 1.164 199 Y CB -0.359 38.126 38.460 0.043 0.000 0.982 199 Y HN 0.301 nan 8.280 nan 0.000 0.515 200 I N -0.257 120.387 120.570 0.123 0.000 2.226 200 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 200 I C 2.539 178.661 176.117 0.010 0.000 1.100 200 I CA 1.400 62.737 61.300 0.062 0.000 1.374 200 I CB -0.410 37.647 38.000 0.095 0.000 1.057 200 I HN 0.166 nan 8.210 nan 0.000 0.413 201 R N 0.590 121.070 120.500 -0.034 0.000 2.075 201 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 201 R C 2.349 178.643 176.300 -0.009 0.000 1.126 201 R CA 1.170 57.270 56.100 0.000 0.000 0.963 201 R CB -0.248 30.005 30.300 -0.079 0.000 0.858 201 R HN 0.325 nan 8.270 nan 0.000 0.435 202 R N 0.383 120.829 120.500 -0.089 0.000 2.293 202 R HA -0.056 4.284 4.340 -0.000 0.000 0.219 202 R C 2.100 178.291 176.300 -0.182 0.000 1.091 202 R CA 1.353 57.379 56.100 -0.124 0.000 1.004 202 R CB -0.038 30.176 30.300 -0.144 0.000 0.865 202 R HN 0.236 nan 8.270 nan 0.000 0.469 203 S N -0.249 115.315 115.700 -0.227 0.000 2.558 203 S HA 0.006 4.476 4.470 -0.000 0.000 0.217 203 S C 0.907 175.408 174.600 -0.166 0.000 0.975 203 S CA -0.278 57.779 58.200 -0.239 0.000 0.912 203 S CB 0.008 63.039 63.200 -0.281 0.000 0.776 203 S HN 0.185 nan 8.310 nan 0.000 0.526 204 M N 3.141 122.675 119.600 -0.109 0.000 2.246 204 M HA 0.227 4.707 4.480 -0.000 0.000 0.350 204 M C 0.336 176.542 176.300 -0.156 0.000 1.406 204 M CA 0.011 55.225 55.300 -0.143 0.000 1.089 204 M CB 0.752 33.309 32.600 -0.071 0.000 1.782 204 M HN 0.333 nan 8.290 nan 0.000 0.457 205 S N 3.533 119.083 115.700 -0.249 0.000 2.681 205 S HA 0.210 4.680 4.470 -0.000 0.000 0.270 205 S C 0.726 175.190 174.600 -0.227 0.000 1.209 205 S CA -0.471 57.578 58.200 -0.252 0.000 0.988 205 S CB 0.527 63.477 63.200 -0.418 0.000 1.006 205 S HN 0.747 nan 8.310 nan 0.000 0.558 206 Y N 0.771 121.034 120.300 -0.062 0.000 2.421 206 Y HA 0.062 4.612 4.550 -0.000 0.000 0.292 206 Y C 1.449 177.338 175.900 -0.017 0.000 1.136 206 Y CA 1.309 59.389 58.100 -0.033 0.000 1.255 206 Y CB -0.772 37.679 38.460 -0.015 0.000 0.991 206 Y HN 0.642 nan 8.280 nan 0.000 0.552 207 D N -1.158 118.816 120.400 -0.710 0.000 2.328 207 D HA -0.034 4.605 4.640 -0.000 0.000 0.221 207 D C 0.235 176.444 176.300 -0.152 0.000 1.072 207 D CA 0.426 54.239 54.000 -0.312 0.000 0.850 207 D CB -0.618 39.993 40.800 -0.314 0.000 0.922 207 D HN 0.426 nan 8.370 nan 0.000 0.516 208 N N -1.146 117.393 118.700 -0.268 0.000 2.965 208 N HA -0.101 4.639 4.740 -0.000 0.000 0.232 208 N C 0.726 175.928 175.510 -0.513 0.000 0.913 208 N CA 1.233 54.122 53.050 -0.269 0.000 0.981 208 N CB -1.567 36.864 38.487 -0.092 0.000 1.077 208 N HN 0.492 nan 8.380 nan 0.000 0.589 209 G N 0.047 108.227 108.800 -1.033 0.000 2.580 209 G HA2 0.566 4.526 3.960 -0.000 0.000 0.278 209 G HA3 0.566 4.526 3.960 -0.000 0.000 0.278 209 G C -0.227 174.150 174.900 -0.872 0.000 1.212 209 G CA -0.319 43.829 45.100 -1.587 0.000 0.939 209 G HN 0.038 nan 8.290 nan 0.000 0.513 210 L N 0.275 121.072 121.223 -0.710 0.000 2.317 210 L HA 0.694 5.034 4.340 -0.000 0.000 0.281 210 L C 0.768 177.447 176.870 -0.318 0.000 1.024 210 L CA -0.603 54.006 54.840 -0.384 0.000 0.810 210 L CB 1.229 43.152 42.059 -0.227 0.000 1.240 210 L HN 0.712 nan 8.230 nan 0.000 0.427 211 A N 1.996 124.680 122.820 -0.226 0.000 2.284 211 A HA 0.517 4.837 4.320 -0.000 0.000 0.317 211 A C 0.731 178.252 177.584 -0.105 0.000 1.120 211 A CA -0.348 51.596 52.037 -0.154 0.000 0.900 211 A CB 0.677 19.594 19.000 -0.139 0.000 1.319 211 A HN 0.689 nan 8.150 nan 0.000 0.494 212 Q N -0.608 119.145 119.800 -0.079 0.000 2.224 212 Q HA 0.085 4.425 4.340 -0.000 0.000 0.203 212 Q C 0.746 176.767 176.000 0.035 0.000 0.970 212 Q CA 1.389 57.171 55.803 -0.035 0.000 0.865 212 Q CB -0.010 28.688 28.738 -0.068 0.000 0.922 212 Q HN 0.901 nan 8.270 nan 0.000 0.445 213 G N -1.435 107.336 108.800 -0.049 0.000 2.559 213 G HA2 0.526 4.486 3.960 -0.000 0.000 0.291 213 G HA3 0.526 4.486 3.960 -0.000 0.000 0.291 213 G C -1.565 173.239 174.900 -0.160 0.000 1.424 213 G CA -0.364 44.670 45.100 -0.109 0.000 0.786 213 G HN 0.129 nan 8.290 nan 0.000 0.485 214 A N -0.784 121.916 122.820 -0.201 0.000 2.546 214 A HA 0.527 4.846 4.320 -0.000 0.000 0.243 214 A C 1.730 179.280 177.584 -0.058 0.000 1.063 214 A CA 1.717 53.675 52.037 -0.131 0.000 0.757 214 A CB -0.339 18.595 19.000 -0.111 0.000 0.991 214 A HN 2.829 nan 8.150 nan 0.000 0.503 215 G N 0.904 109.680 108.800 -0.040 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 0.149 175.054 174.900 0.008 0.000 0.998 215 G CA 0.408 45.508 45.100 0.000 0.000 0.621 215 G HN 0.777 nan 8.290 nan 0.000 0.524 216 L N 1.279 122.491 121.223 -0.019 0.000 2.466 216 L HA 0.477 4.817 4.340 -0.000 0.000 0.257 216 L C 1.056 177.911 176.870 -0.024 0.000 1.189 216 L CA -0.641 54.191 54.840 -0.014 0.000 0.813 216 L CB 0.687 42.729 42.059 -0.028 0.000 1.118 216 L HN 0.446 nan 8.230 nan 0.000 0.471 217 E N 0.498 120.696 120.200 -0.004 0.000 2.366 217 E HA 0.092 4.442 4.350 -0.000 0.000 0.266 217 E C -0.332 176.243 176.600 -0.042 0.000 1.015 217 E CA -0.388 56.011 56.400 -0.002 0.000 0.906 217 E CB 0.612 30.337 29.700 0.043 0.000 0.979 217 E HN 0.637 nan 8.360 nan 0.000 0.443 218 S N 4.580 120.199 115.700 -0.134 0.000 2.568 218 S HA 0.025 4.495 4.470 -0.000 0.000 0.282 218 S C -0.142 174.435 174.600 -0.039 0.000 1.338 218 S CA -0.406 57.632 58.200 -0.270 0.000 1.045 218 S CB 0.855 63.649 63.200 -0.676 0.000 0.873 218 S HN 0.673 nan 8.310 nan 0.000 0.516 219 H N 0.447 119.397 119.070 -0.200 0.000 2.961 219 H HA 0.373 4.929 4.556 -0.000 0.000 0.371 219 H C 1.132 176.507 175.328 0.078 0.000 1.190 219 H CA -0.058 56.000 56.048 0.016 0.000 1.138 219 H CB 1.624 31.356 29.762 -0.050 0.000 1.816 219 H HN 0.717 nan 8.280 nan 0.000 0.551 220 G N 1.459 110.175 108.800 -0.141 0.000 2.442 220 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 220 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 220 G C 1.427 176.420 174.900 0.155 0.000 1.141 220 G CA 0.825 45.975 45.100 0.084 0.000 0.763 220 G HN 0.647 nan 8.290 nan 0.000 0.554 221 G N 0.944 109.847 108.800 0.172 0.000 2.404 221 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.215 221 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.215 221 G C 2.227 177.101 174.900 -0.044 0.000 1.174 221 G CA 1.786 46.763 45.100 -0.205 0.000 0.780 221 G HN 0.646 nan 8.290 nan 0.000 0.537 222 S N 0.030 115.759 115.700 0.049 0.000 2.402 222 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 222 S C 2.212 176.810 174.600 -0.004 0.000 1.021 222 S CA 1.861 60.054 58.200 -0.012 0.000 0.974 222 S CB -0.634 62.538 63.200 -0.047 0.000 0.800 222 S HN 0.245 nan 8.310 nan 0.000 0.484 223 T N 1.936 116.488 114.554 -0.003 0.000 2.777 223 T HA 0.026 4.376 4.350 -0.000 0.000 0.266 223 T C 1.254 175.980 174.700 0.043 0.000 1.040 223 T CA 1.365 63.442 62.100 -0.039 0.000 1.141 223 T CB -0.539 68.285 68.868 -0.073 0.000 0.868 223 T HN 0.504 nan 8.240 nan 0.000 0.444 224 F N 1.545 121.505 119.950 0.016 0.000 2.075 224 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 224 F C 2.421 178.209 175.800 -0.021 0.000 1.113 224 F CA 0.774 58.792 58.000 0.030 0.000 1.218 224 F CB -0.879 38.215 39.000 0.157 0.000 0.984 224 F HN 0.150 nan 8.300 nan 0.000 0.472 225 C N 1.031 120.260 119.300 -0.118 0.000 2.413 225 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 225 C C 3.102 178.043 174.990 -0.081 0.000 1.248 225 C CA 1.289 60.190 59.018 -0.194 0.000 1.742 225 C CB -1.996 25.759 27.740 0.025 0.000 2.017 225 C HN 0.754 nan 8.230 nan 0.000 0.481 226 G N 0.560 109.344 108.800 -0.026 0.000 2.414 226 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.215 226 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.215 226 G C 1.378 176.295 174.900 0.028 0.000 1.188 226 G CA 0.740 45.866 45.100 0.044 0.000 0.783 226 G HN 0.370 nan 8.290 nan 0.000 0.537 227 I N 1.960 122.511 120.570 -0.032 0.000 2.226 227 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 227 I C 3.257 179.320 176.117 -0.091 0.000 1.100 227 I CA 1.205 62.494 61.300 -0.020 0.000 1.374 227 I CB -1.367 36.611 38.000 -0.035 0.000 1.057 227 I HN 0.257 nan 8.210 nan 0.000 0.413 228 A N 0.348 122.992 122.820 -0.294 0.000 1.902 228 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 228 A C 2.604 180.188 177.584 -0.000 0.000 1.181 228 A CA 2.026 53.911 52.037 -0.253 0.000 0.623 228 A CB -0.753 17.821 19.000 -0.709 0.000 0.818 228 A HN 0.407 nan 8.150 nan 0.000 0.443 229 S N -0.060 115.679 115.700 0.063 0.000 2.359 229 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 229 S C 1.841 176.490 174.600 0.081 0.000 1.035 229 S CA 1.555 59.833 58.200 0.130 0.000 1.018 229 S CB -0.489 62.802 63.200 0.152 0.000 0.876 229 S HN 0.520 nan 8.310 nan 0.000 0.448 230 L N 0.587 121.835 121.223 0.043 0.000 2.046 230 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 230 L C 2.608 179.479 176.870 0.002 0.000 1.077 230 L CA 0.912 55.755 54.840 0.005 0.000 0.747 230 L CB -0.753 41.316 42.059 0.017 0.000 0.896 230 L HN 0.429 nan 8.230 nan 0.000 0.432 231 C N -0.567 118.747 119.300 0.024 0.000 2.429 231 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 231 C C 2.657 177.678 174.990 0.051 0.000 1.262 231 C CA 0.165 59.203 59.018 0.033 0.000 1.733 231 C CB -0.718 27.041 27.740 0.031 0.000 2.010 231 C HN 0.394 nan 8.230 nan 0.000 0.483 232 L N 0.175 121.435 121.223 0.061 0.000 2.131 232 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 232 L C 2.345 179.368 176.870 0.255 0.000 1.092 232 L CA 1.807 56.713 54.840 0.110 0.000 0.759 232 L CB -0.724 41.413 42.059 0.130 0.000 0.903 232 L HN 0.368 nan 8.230 nan 0.000 0.435 233 M N -1.644 117.945 119.600 -0.018 0.000 2.506 233 M HA 0.144 4.624 4.480 -0.000 0.000 0.260 233 M C 1.236 177.391 176.300 -0.242 0.000 1.104 233 M CA 0.797 55.833 55.300 -0.441 0.000 1.112 233 M CB -0.155 32.163 32.600 -0.469 0.000 1.401 233 M HN 0.361 nan 8.290 nan 0.000 0.473 234 G N 1.905 110.666 108.800 -0.065 0.000 2.225 234 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 234 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 234 G C 0.317 175.179 174.900 -0.063 0.000 1.060 234 G CA 0.264 45.347 45.100 -0.027 0.000 0.833 234 G HN 0.517 nan 8.290 nan 0.000 0.498 235 K N -0.690 119.665 120.400 -0.076 0.000 2.619 235 K HA 0.350 4.670 4.320 -0.000 0.000 0.201 235 K C 2.002 178.565 176.600 -0.062 0.000 1.090 235 K CA -0.504 55.733 56.287 -0.083 0.000 1.063 235 K CB 0.272 32.694 32.500 -0.130 0.000 0.810 235 K HN 0.324 nan 8.250 nan 0.000 0.506 236 L N 1.455 122.670 121.223 -0.014 0.000 1.971 236 L HA -0.235 4.105 4.340 -0.000 0.000 0.215 236 L C 1.787 178.687 176.870 0.050 0.000 1.072 236 L CA 1.882 56.745 54.840 0.040 0.000 0.758 236 L CB 0.010 42.112 42.059 0.072 0.000 0.889 236 L HN 0.331 nan 8.230 nan 0.000 0.433 237 E N -0.303 119.920 120.200 0.039 0.000 2.118 237 E HA -0.311 4.039 4.350 -0.000 0.000 0.195 237 E C 1.875 178.483 176.600 0.013 0.000 0.992 237 E CA 1.515 57.940 56.400 0.042 0.000 0.804 237 E CB -0.208 29.510 29.700 0.030 0.000 0.741 237 E HN 0.625 nan 8.360 nan 0.000 0.458 238 E N 0.760 120.946 120.200 -0.024 0.000 2.152 238 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 238 E C 2.020 178.565 176.600 -0.091 0.000 0.983 238 E CA 0.751 57.121 56.400 -0.049 0.000 0.818 238 E CB 0.333 29.996 29.700 -0.062 0.000 0.758 238 E HN 0.020 nan 8.360 nan 0.000 0.467 239 V N 0.275 120.092 119.914 -0.161 0.000 2.535 239 V HA 0.016 4.136 4.120 -0.000 0.000 0.246 239 V C 0.687 176.537 176.094 -0.405 0.000 1.045 239 V CA 0.942 63.038 62.300 -0.341 0.000 1.058 239 V CB -0.162 31.341 31.823 -0.533 0.000 0.689 239 V HN 0.110 nan 8.190 nan 0.000 0.461 240 F N 0.478 120.419 119.950 -0.014 0.000 2.469 240 F HA 0.482 5.009 4.527 -0.000 0.000 0.332 240 F C 0.859 176.656 175.800 -0.006 0.000 1.103 240 F CA -0.754 57.239 58.000 -0.012 0.000 0.979 240 F CB 1.586 40.578 39.000 -0.014 0.000 1.137 240 F HN -0.021 nan 8.300 nan 0.000 0.463 241 S N 1.055 116.882 115.700 0.211 0.000 2.608 241 S HA 0.068 4.538 4.470 -0.000 0.000 0.261 241 S C 1.118 175.778 174.600 0.099 0.000 1.314 241 S CA -0.450 57.818 58.200 0.113 0.000 0.992 241 S CB 1.234 64.483 63.200 0.082 0.000 0.935 241 S HN 0.877 nan 8.310 nan 0.000 0.564 242 E N 0.861 121.100 120.200 0.065 0.000 2.085 242 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 242 E C 1.937 178.559 176.600 0.038 0.000 0.994 242 E CA 1.378 57.808 56.400 0.051 0.000 0.801 242 E CB -0.191 29.532 29.700 0.039 0.000 0.743 242 E HN 0.763 nan 8.360 nan 0.000 0.453 243 K N 0.351 120.772 120.400 0.035 0.000 2.057 243 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 243 K C 2.032 178.637 176.600 0.009 0.000 1.049 243 K CA 1.677 57.977 56.287 0.022 0.000 0.931 243 K CB 0.054 32.568 32.500 0.023 0.000 0.714 243 K HN 0.147 nan 8.250 nan 0.000 0.440 244 E N 0.422 120.633 120.200 0.019 0.000 2.051 244 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 244 E C 2.013 178.542 176.600 -0.119 0.000 0.991 244 E CA 1.190 57.570 56.400 -0.034 0.000 0.799 244 E CB -0.021 29.713 29.700 0.056 0.000 0.748 244 E HN 0.269 nan 8.360 nan 0.000 0.449 245 L N 0.874 122.065 121.223 -0.054 0.000 2.131 245 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 245 L C 1.945 178.795 176.870 -0.033 0.000 1.092 245 L CA 1.087 55.890 54.840 -0.062 0.000 0.759 245 L CB -0.425 41.649 42.059 0.025 0.000 0.903 245 L HN 0.196 nan 8.230 nan 0.000 0.435 246 N N -0.351 118.344 118.700 -0.008 0.000 2.188 246 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 246 N C 1.900 177.412 175.510 0.004 0.000 1.018 246 N CA 0.730 53.785 53.050 0.007 0.000 0.858 246 N CB 0.013 38.507 38.487 0.011 0.000 0.989 246 N HN 0.301 nan 8.380 nan 0.000 0.426 247 R N 0.704 121.194 120.500 -0.018 0.000 2.075 247 R HA 0.020 4.359 4.340 -0.000 0.000 0.232 247 R C 2.108 178.410 176.300 0.003 0.000 1.126 247 R CA 0.849 56.943 56.100 -0.009 0.000 0.963 247 R CB -0.242 30.037 30.300 -0.035 0.000 0.858 247 R HN 0.267 nan 8.270 nan 0.000 0.435 248 I N 1.089 121.617 120.570 -0.070 0.000 2.252 248 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 248 I C 2.060 178.223 176.117 0.076 0.000 1.102 248 I CA 1.406 62.668 61.300 -0.064 0.000 1.385 248 I CB -0.210 37.651 38.000 -0.231 0.000 1.064 248 I HN 0.122 nan 8.210 nan 0.000 0.414 249 K N 0.425 120.856 120.400 0.053 0.000 2.057 249 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 249 K C 2.248 178.916 176.600 0.113 0.000 1.049 249 K CA 1.358 57.702 56.287 0.094 0.000 0.931 249 K CB -0.219 32.328 32.500 0.078 0.000 0.714 249 K HN 0.053 nan 8.250 nan 0.000 0.440 250 R N 0.554 121.109 120.500 0.092 0.000 2.073 250 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 250 R C 1.842 178.201 176.300 0.098 0.000 1.134 250 R CA 1.664 57.809 56.100 0.075 0.000 0.952 250 R CB -0.792 29.542 30.300 0.057 0.000 0.850 250 R HN 0.395 nan 8.270 nan 0.000 0.433 251 W N -0.190 121.093 121.300 -0.028 0.000 2.358 251 W HA -0.228 4.432 4.660 -0.000 0.000 0.303 251 W C 2.036 178.557 176.519 0.002 0.000 1.208 251 W CA 1.750 59.075 57.345 -0.032 0.000 1.274 251 W CB -0.533 28.884 29.460 -0.072 0.000 1.138 251 W HN 0.157 nan 8.180 nan 0.000 0.515 252 C N -0.264 119.231 119.300 0.325 0.000 2.462 252 C HA -0.188 4.272 4.460 -0.000 0.000 0.278 252 C C 2.675 177.716 174.990 0.087 0.000 1.253 252 C CA 1.180 60.334 59.018 0.227 0.000 1.713 252 C CB -1.514 26.394 27.740 0.279 0.000 2.049 252 C HN 0.441 nan 8.230 nan 0.000 0.477 253 I N 0.548 121.177 120.570 0.099 0.000 2.756 253 I HA -0.158 4.012 4.170 -0.000 0.000 0.262 253 I C 2.008 178.107 176.117 -0.031 0.000 1.225 253 I CA 1.141 62.496 61.300 0.091 0.000 1.472 253 I CB -0.075 37.980 38.000 0.091 0.000 1.094 253 I HN 0.283 nan 8.210 nan 0.000 0.454 254 M N -0.226 119.302 119.600 -0.121 0.000 2.619 254 M HA -0.019 4.461 4.480 -0.000 0.000 0.251 254 M C 1.678 177.817 176.300 -0.270 0.000 1.106 254 M CA 0.851 56.032 55.300 -0.198 0.000 1.086 254 M CB -0.826 31.635 32.600 -0.231 0.000 1.465 254 M HN 0.167 nan 8.290 nan 0.000 0.506 255 R N 0.272 120.618 120.500 -0.256 0.000 2.236 255 R HA 0.043 4.383 4.340 -0.000 0.000 0.208 255 R C 0.870 176.887 176.300 -0.473 0.000 1.036 255 R CA 0.169 56.114 56.100 -0.259 0.000 1.001 255 R CB -0.564 29.707 30.300 -0.049 0.000 0.896 255 R HN 0.534 nan 8.270 nan 0.000 0.464 256 Q N 1.105 120.603 119.800 -0.502 0.000 2.296 256 Q HA -0.005 4.335 4.340 -0.000 0.000 0.262 256 Q C 0.224 175.873 176.000 -0.585 0.000 0.981 256 Q CA 0.054 55.334 55.803 -0.872 0.000 0.905 256 Q CB 0.900 29.083 28.738 -0.924 0.000 1.186 256 Q HN -0.027 nan 8.270 nan 0.000 0.399 257 Q N 2.741 122.201 119.800 -0.567 0.000 2.511 257 Q HA 0.114 4.454 4.340 -0.000 0.000 0.236 257 Q C 0.246 176.078 176.000 -0.280 0.000 0.893 257 Q CA 1.480 57.052 55.803 -0.386 0.000 0.947 257 Q CB 0.545 29.054 28.738 -0.382 0.000 1.110 257 Q HN 0.875 nan 8.270 nan 0.000 0.591 258 N N -1.025 117.494 118.700 -0.302 0.000 2.539 258 N HA 0.084 4.824 4.740 -0.000 0.000 0.326 258 N C 0.829 176.231 175.510 -0.180 0.000 0.622 258 N CA 0.363 53.316 53.050 -0.161 0.000 1.237 258 N CB -0.182 38.272 38.487 -0.056 0.000 1.806 258 N HN 0.096 nan 8.380 nan 0.000 1.552 259 G N -0.939 107.691 108.800 -0.284 0.000 2.641 259 G HA2 0.555 4.515 3.960 -0.000 0.000 0.239 259 G HA3 0.555 4.515 3.960 -0.000 0.000 0.239 259 G C -1.417 173.310 174.900 -0.289 0.000 1.402 259 G CA -0.293 44.692 45.100 -0.193 0.000 1.046 259 G HN 0.137 nan 8.290 nan 0.000 0.565 260 Y N -0.679 119.561 120.300 -0.100 0.000 2.485 260 Y HA 0.453 5.003 4.550 -0.000 0.000 0.345 260 Y C 0.650 176.576 175.900 0.044 0.000 0.998 260 Y CA -0.854 57.212 58.100 -0.057 0.000 1.059 260 Y CB 1.763 40.270 38.460 0.077 0.000 1.234 260 Y HN 0.712 nan 8.280 nan 0.000 0.461 261 H N -1.548 117.528 119.070 0.009 0.000 2.676 261 H HA 0.602 5.158 4.556 -0.000 0.000 0.352 261 H C 0.469 175.422 175.328 -0.625 0.000 1.193 261 H CA -0.861 55.101 56.048 -0.143 0.000 1.243 261 H CB 1.973 31.651 29.762 -0.139 0.000 1.751 261 H HN 0.813 nan 8.280 nan 0.000 0.567 262 G N 0.193 108.367 108.800 -1.043 0.000 2.551 262 G HA2 0.061 4.021 3.960 -0.000 0.000 0.216 262 G HA3 0.061 4.021 3.960 -0.000 0.000 0.216 262 G C 0.259 174.679 174.900 -0.800 0.000 1.137 262 G CA -0.203 43.948 45.100 -1.582 0.000 0.798 262 G HN 0.755 nan 8.290 nan 0.000 0.536 263 R N -1.323 118.762 120.500 -0.692 0.000 2.692 263 R HA 0.395 4.735 4.340 -0.000 0.000 0.269 263 R C -3.493 172.303 176.300 -0.841 0.000 1.030 263 R CA -2.064 53.744 56.100 -0.487 0.000 0.882 263 R CB 0.326 30.538 30.300 -0.147 0.000 1.250 263 R HN -0.244 nan 8.270 nan 0.000 0.465 264 P HA -0.088 nan 4.420 nan 0.000 0.263 264 P C -0.503 176.633 177.300 -0.274 0.000 1.175 264 P CA 0.467 63.351 63.100 -0.360 0.000 0.761 264 P CB 0.223 31.843 31.700 -0.133 0.000 0.794 265 N N -0.679 117.939 118.700 -0.137 0.000 2.741 265 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 265 N C -0.304 175.170 175.510 -0.060 0.000 1.112 265 N CA 1.308 54.328 53.050 -0.051 0.000 0.750 265 N CB -0.691 37.777 38.487 -0.032 0.000 1.119 265 N HN 0.487 nan 8.380 nan 0.000 0.561 266 K N 0.502 120.825 120.400 -0.128 0.000 2.267 266 K HA 0.489 4.809 4.320 -0.000 0.000 0.246 266 K C -2.206 174.453 176.600 0.099 0.000 0.954 266 K CA -1.468 54.794 56.287 -0.043 0.000 0.824 266 K CB 1.878 34.312 32.500 -0.110 0.000 1.167 266 K HN -0.091 nan 8.250 nan 0.000 0.431 267 P HA 0.021 nan 4.420 nan 0.000 0.271 267 P C 0.165 177.618 177.300 0.254 0.000 1.218 267 P CA -0.462 62.716 63.100 0.129 0.000 0.780 267 P CB 0.524 32.238 31.700 0.024 0.000 0.901 268 V N -0.869 119.141 119.914 0.160 0.000 3.096 268 V HA 0.350 4.470 4.120 -0.000 0.000 0.306 268 V C 0.040 176.375 176.094 0.402 0.000 1.088 268 V CA 0.035 62.420 62.300 0.142 0.000 1.129 268 V CB 0.429 32.069 31.823 -0.305 0.000 1.014 268 V HN 0.620 nan 8.190 nan 0.000 0.486 269 D N 1.552 122.217 120.400 0.442 0.000 2.936 269 D HA 0.320 4.960 4.640 -0.000 0.000 0.238 269 D C 0.805 177.328 176.300 0.373 0.000 1.248 269 D CA -0.004 54.245 54.000 0.415 0.000 0.903 269 D CB 2.214 43.257 40.800 0.405 0.000 1.544 269 D HN 0.649 nan 8.370 nan 0.000 0.543 270 T N 1.932 116.741 114.554 0.424 0.000 2.653 270 T HA -0.250 4.100 4.350 -0.000 0.000 0.267 270 T C 2.031 176.811 174.700 0.134 0.000 1.037 270 T CA 2.419 64.732 62.100 0.355 0.000 1.159 270 T CB -0.666 68.353 68.868 0.252 0.000 0.859 270 T HN 0.790 nan 8.240 nan 0.000 0.449 271 C N 0.513 119.822 119.300 0.015 0.000 2.409 271 C HA -0.086 4.374 4.460 -0.000 0.000 0.284 271 C C 2.225 177.018 174.990 -0.328 0.000 1.354 271 C CA -0.058 58.771 59.018 -0.316 0.000 1.787 271 C CB -2.087 25.295 27.740 -0.596 0.000 1.900 271 C HN 0.512 nan 8.230 nan 0.000 0.520 272 Y N 1.991 122.398 120.300 0.179 0.000 2.509 272 Y HA 0.012 4.562 4.550 -0.000 0.000 0.293 272 Y C 2.837 178.701 175.900 -0.060 0.000 1.133 272 Y CA 1.272 59.487 58.100 0.192 0.000 1.283 272 Y CB -0.776 37.824 38.460 0.233 0.000 1.001 272 Y HN 0.358 nan 8.280 nan 0.000 0.555 273 S N -0.448 115.277 115.700 0.042 0.000 2.419 273 S HA -0.165 4.305 4.470 -0.000 0.000 0.233 273 S C 1.690 176.113 174.600 -0.296 0.000 1.016 273 S CA 1.185 59.303 58.200 -0.136 0.000 0.974 273 S CB -0.385 62.845 63.200 0.049 0.000 0.786 273 S HN 0.539 nan 8.310 nan 0.000 0.492 274 F N 0.093 119.812 119.950 -0.385 0.000 2.315 274 F HA 0.197 4.724 4.527 -0.000 0.000 0.284 274 F C 1.573 177.098 175.800 -0.458 0.000 1.049 274 F CA 0.091 57.804 58.000 -0.478 0.000 1.323 274 F CB -0.602 38.097 39.000 -0.500 0.000 1.113 274 F HN 0.156 nan 8.300 nan 0.000 0.544 275 W N 0.456 121.500 121.300 -0.426 0.000 2.302 275 W HA -0.238 4.422 4.660 -0.000 0.000 0.320 275 W C 2.341 178.694 176.519 -0.276 0.000 1.241 275 W CA 1.740 58.809 57.345 -0.460 0.000 1.264 275 W CB -1.016 28.380 29.460 -0.106 0.000 1.154 275 W HN -0.169 nan 8.180 nan 0.000 0.483 276 V N 0.241 120.189 119.914 0.055 0.000 2.407 276 V HA -0.081 4.039 4.120 -0.000 0.000 0.245 276 V C 2.376 178.331 176.094 -0.231 0.000 1.041 276 V CA 1.911 64.201 62.300 -0.017 0.000 1.040 276 V CB -1.594 30.232 31.823 0.005 0.000 0.671 276 V HN 0.377 nan 8.190 nan 0.000 0.455 277 G N 0.104 108.585 108.800 -0.532 0.000 2.440 277 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 277 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 277 G C 1.743 176.255 174.900 -0.646 0.000 1.154 277 G CA 1.169 45.909 45.100 -0.601 0.000 0.767 277 G HN 0.598 nan 8.290 nan 0.000 0.552 278 A N 0.067 122.452 122.820 -0.726 0.000 1.969 278 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 278 A C 2.525 180.000 177.584 -0.181 0.000 1.169 278 A CA 2.348 54.022 52.037 -0.605 0.000 0.635 278 A CB -0.765 17.578 19.000 -1.096 0.000 0.810 278 A HN 0.304 nan 8.150 nan 0.000 0.445 279 T N 0.538 115.070 114.554 -0.035 0.000 2.737 279 T HA -0.072 4.278 4.350 -0.000 0.000 0.265 279 T C 1.796 176.522 174.700 0.044 0.000 1.038 279 T CA 1.427 63.569 62.100 0.070 0.000 1.144 279 T CB -0.381 68.573 68.868 0.144 0.000 0.866 279 T HN 0.371 nan 8.240 nan 0.000 0.434 280 L N 0.559 121.815 121.223 0.055 0.000 2.083 280 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 280 L C 2.623 179.573 176.870 0.135 0.000 1.083 280 L CA 1.114 56.043 54.840 0.149 0.000 0.752 280 L CB -0.397 41.840 42.059 0.298 0.000 0.899 280 L HN 0.156 nan 8.230 nan 0.000 0.433 281 K N 0.780 121.190 120.400 0.016 0.000 2.057 281 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 281 K C 1.956 178.559 176.600 0.005 0.000 1.050 281 K CA 1.420 57.704 56.287 -0.004 0.000 0.935 281 K CB -0.304 32.083 32.500 -0.189 0.000 0.715 281 K HN 0.154 nan 8.250 nan 0.000 0.439 282 L N 0.259 121.477 121.223 -0.009 0.000 2.131 282 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 282 L C 1.757 178.647 176.870 0.033 0.000 1.092 282 L CA 0.840 55.683 54.840 0.005 0.000 0.759 282 L CB -0.241 41.819 42.059 0.001 0.000 0.903 282 L HN 0.158 nan 8.230 nan 0.000 0.435 283 L N -0.586 120.670 121.223 0.054 0.000 2.612 283 L HA 0.027 4.367 4.340 -0.000 0.000 0.230 283 L C 0.605 177.526 176.870 0.086 0.000 1.140 283 L CA 0.075 54.957 54.840 0.070 0.000 0.896 283 L CB -0.212 41.894 42.059 0.078 0.000 1.065 283 L HN 0.204 nan 8.230 nan 0.000 0.447 284 K N 0.472 120.919 120.400 0.079 0.000 3.129 284 K HA -0.200 4.120 4.320 -0.000 0.000 0.273 284 K C 0.606 177.258 176.600 0.088 0.000 1.123 284 K CA 1.005 57.337 56.287 0.074 0.000 0.800 284 K CB -1.560 30.978 32.500 0.064 0.000 1.238 284 K HN 0.597 nan 8.250 nan 0.000 0.492 285 I N -4.505 116.146 120.570 0.135 0.000 4.160 285 I HA 0.181 4.351 4.170 -0.000 0.000 0.325 285 I C 1.237 177.447 176.117 0.155 0.000 1.455 285 I CA -0.672 60.732 61.300 0.174 0.000 1.142 285 I CB 0.084 38.275 38.000 0.318 0.000 1.262 285 I HN -0.007 nan 8.210 nan 0.000 0.483 286 F N 3.399 123.365 119.950 0.027 0.000 2.269 286 F HA -0.176 4.351 4.527 -0.000 0.000 0.301 286 F C 2.527 178.412 175.800 0.143 0.000 1.082 286 F CA 2.298 60.351 58.000 0.089 0.000 1.360 286 F CB -0.067 38.959 39.000 0.043 0.000 1.041 286 F HN 0.367 nan 8.300 nan 0.000 0.512 287 Q N -1.336 118.398 119.800 -0.109 0.000 2.368 287 Q HA -0.245 4.095 4.340 -0.000 0.000 0.210 287 Q C 1.091 176.806 176.000 -0.476 0.000 0.982 287 Q CA 1.905 57.507 55.803 -0.335 0.000 0.884 287 Q CB -1.029 27.411 28.738 -0.497 0.000 0.933 287 Q HN 0.621 nan 8.270 nan 0.000 0.460 288 Y N 1.996 122.235 120.300 -0.101 0.000 2.457 288 Y HA 0.133 4.683 4.550 -0.000 0.000 0.263 288 Y C 1.133 176.961 175.900 -0.120 0.000 1.164 288 Y CA -0.159 57.874 58.100 -0.112 0.000 1.274 288 Y CB 0.545 38.975 38.460 -0.050 0.000 1.097 288 Y HN 0.167 nan 8.280 nan 0.000 0.523 289 T N -1.873 112.656 114.554 -0.042 0.000 2.824 289 T HA 0.080 4.430 4.350 -0.000 0.000 0.277 289 T C 0.059 174.748 174.700 -0.018 0.000 0.975 289 T CA -0.956 61.132 62.100 -0.020 0.000 0.966 289 T CB 1.182 70.026 68.868 -0.040 0.000 1.054 289 T HN 0.075 nan 8.240 nan 0.000 0.533 290 N N 0.590 119.306 118.700 0.026 0.000 2.437 290 N HA 0.160 4.900 4.740 -0.000 0.000 0.243 290 N C 0.378 176.013 175.510 0.210 0.000 1.041 290 N CA -0.469 52.609 53.050 0.046 0.000 0.940 290 N CB -0.106 38.378 38.487 -0.005 0.000 1.133 290 N HN 0.709 nan 8.380 nan 0.000 0.506 291 F N 1.485 121.382 119.950 -0.088 0.000 2.113 291 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 291 F C 1.979 177.790 175.800 0.018 0.000 1.103 291 F CA 0.370 58.347 58.000 -0.038 0.000 1.248 291 F CB 0.357 39.330 39.000 -0.045 0.000 0.999 291 F HN 0.428 nan 8.300 nan 0.000 0.475 292 E N 0.946 121.275 120.200 0.216 0.000 2.058 292 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 292 E C 1.902 178.569 176.600 0.113 0.000 0.997 292 E CA 1.236 57.717 56.400 0.135 0.000 0.801 292 E CB -0.493 29.260 29.700 0.088 0.000 0.746 292 E HN 0.416 nan 8.360 nan 0.000 0.450 293 K N 0.575 121.031 120.400 0.093 0.000 2.148 293 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 293 K C 1.986 178.661 176.600 0.125 0.000 1.050 293 K CA 1.054 57.390 56.287 0.082 0.000 0.942 293 K CB -0.089 32.427 32.500 0.027 0.000 0.724 293 K HN -0.020 nan 8.250 nan 0.000 0.446 294 N N 1.568 120.351 118.700 0.139 0.000 2.135 294 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 294 N C 1.717 177.351 175.510 0.207 0.000 1.027 294 N CA 1.279 54.454 53.050 0.207 0.000 0.849 294 N CB 0.008 38.661 38.487 0.277 0.000 1.002 294 N HN 0.040 nan 8.380 nan 0.000 0.425 295 R N 0.070 120.655 120.500 0.142 0.000 2.081 295 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 295 R C 1.457 177.831 176.300 0.123 0.000 1.131 295 R CA 1.551 57.713 56.100 0.104 0.000 0.960 295 R CB -0.203 30.144 30.300 0.078 0.000 0.856 295 R HN 0.268 nan 8.270 nan 0.000 0.436 296 N N -0.163 118.614 118.700 0.128 0.000 2.120 296 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 296 N C 1.447 177.024 175.510 0.113 0.000 1.024 296 N CA 1.326 54.443 53.050 0.113 0.000 0.852 296 N CB -0.579 37.969 38.487 0.103 0.000 1.003 296 N HN 0.313 nan 8.380 nan 0.000 0.424 297 Y N 1.695 122.053 120.300 0.096 0.000 2.114 297 Y HA -0.074 4.476 4.550 -0.000 0.000 0.284 297 Y C 2.208 178.195 175.900 0.146 0.000 1.143 297 Y CA 1.331 59.498 58.100 0.113 0.000 1.135 297 Y CB -0.466 38.059 38.460 0.108 0.000 0.980 297 Y HN -0.043 nan 8.280 nan 0.000 0.499 298 I N -0.068 120.564 120.570 0.104 0.000 2.118 298 I HA -0.384 3.786 4.170 -0.000 0.000 0.241 298 I C 2.353 178.559 176.117 0.148 0.000 1.070 298 I CA 1.733 63.077 61.300 0.073 0.000 1.327 298 I CB -0.633 37.397 38.000 0.050 0.000 1.034 298 I HN 0.266 nan 8.210 nan 0.000 0.405 299 L N 0.539 121.866 121.223 0.173 0.000 2.191 299 L HA -0.176 4.163 4.340 -0.000 0.000 0.212 299 L C 2.689 179.602 176.870 0.073 0.000 1.103 299 L CA 1.508 56.485 54.840 0.228 0.000 0.769 299 L CB -0.667 41.502 42.059 0.184 0.000 0.908 299 L HN 0.400 nan 8.230 nan 0.000 0.438 300 S N -1.504 114.171 115.700 -0.042 0.000 2.515 300 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 300 S C 1.710 176.239 174.600 -0.118 0.000 0.987 300 S CA 1.044 59.187 58.200 -0.095 0.000 0.936 300 S CB -0.617 62.502 63.200 -0.135 0.000 0.766 300 S HN 0.558 nan 8.310 nan 0.000 0.528 301 T N -1.825 112.662 114.554 -0.111 0.000 3.105 301 T HA 0.267 4.617 4.350 -0.000 0.000 0.253 301 T C 0.338 175.021 174.700 -0.028 0.000 1.047 301 T CA -0.499 61.574 62.100 -0.045 0.000 0.944 301 T CB -0.241 68.616 68.868 -0.019 0.000 1.016 301 T HN 0.442 nan 8.240 nan 0.000 0.544 302 Q N 1.626 121.354 119.800 -0.120 0.000 2.332 302 Q HA 0.120 4.460 4.340 -0.000 0.000 0.263 302 Q C -0.697 175.140 176.000 -0.272 0.000 0.979 302 Q CA -0.268 55.283 55.803 -0.421 0.000 0.885 302 Q CB 0.596 29.096 28.738 -0.397 0.000 1.218 302 Q HN 0.309 nan 8.270 nan 0.000 0.405 303 D N 3.340 123.554 120.400 -0.310 0.000 2.428 303 D HA 0.086 4.726 4.640 -0.000 0.000 0.221 303 D C 0.329 176.496 176.300 -0.222 0.000 1.123 303 D CA -0.056 53.829 54.000 -0.192 0.000 0.869 303 D CB 0.607 41.319 40.800 -0.146 0.000 1.032 303 D HN 0.573 nan 8.370 nan 0.000 0.506 304 R N 2.454 122.848 120.500 -0.177 0.000 2.241 304 R HA -0.066 4.274 4.340 -0.000 0.000 0.224 304 R C 1.556 177.762 176.300 -0.157 0.000 1.101 304 R CA 0.277 56.267 56.100 -0.183 0.000 0.995 304 R CB 0.385 30.607 30.300 -0.130 0.000 0.870 304 R HN 0.457 nan 8.270 nan 0.000 0.463 305 L N 0.411 121.564 121.223 -0.117 0.000 2.189 305 L HA -0.000 4.340 4.340 -0.000 0.000 0.199 305 L C 2.030 178.850 176.870 -0.083 0.000 1.074 305 L CA 1.401 56.189 54.840 -0.087 0.000 0.783 305 L CB -0.334 41.694 42.059 -0.051 0.000 0.955 305 L HN 0.072 nan 8.230 nan 0.000 0.460 306 V N -1.910 117.967 119.914 -0.062 0.000 3.590 306 V HA 0.495 4.615 4.120 -0.000 0.000 0.265 306 V C 0.932 177.045 176.094 0.031 0.000 1.239 306 V CA 0.522 62.822 62.300 -0.000 0.000 1.117 306 V CB -0.362 31.496 31.823 0.058 0.000 0.818 306 V HN 0.598 nan 8.190 nan 0.000 0.451 307 G N -0.597 108.116 108.800 -0.145 0.000 2.728 307 G HA2 0.389 4.349 3.960 -0.000 0.000 0.294 307 G HA3 0.389 4.349 3.960 -0.000 0.000 0.294 307 G C 0.530 175.120 174.900 -0.518 0.000 1.342 307 G CA -0.286 44.633 45.100 -0.302 0.000 0.866 307 G HN 2.467 nan 8.290 nan 0.000 0.534 308 G N -2.243 106.185 108.800 -0.621 0.000 2.829 308 G HA2 0.353 4.313 3.960 -0.000 0.000 0.628 308 G HA3 0.353 4.313 3.960 -0.000 0.000 0.628 308 G C -0.426 174.027 174.900 -0.744 0.000 1.412 308 G CA 0.305 44.671 45.100 -1.223 0.000 0.864 308 G HN 1.806 nan 8.290 nan 0.000 0.544 309 F N 0.118 119.783 119.950 -0.475 0.000 2.561 309 F HA 0.821 5.348 4.527 -0.000 0.000 0.321 309 F C 0.861 176.570 175.800 -0.151 0.000 1.065 309 F CA 0.088 57.950 58.000 -0.231 0.000 0.934 309 F CB 2.116 41.010 39.000 -0.178 0.000 1.215 309 F HN 0.970 nan 8.300 nan 0.000 0.471 310 A N 1.585 124.443 122.820 0.063 0.000 2.312 310 A HA 0.536 4.856 4.320 -0.000 0.000 0.310 310 A C 0.828 178.311 177.584 -0.168 0.000 1.139 310 A CA -0.636 51.356 52.037 -0.075 0.000 0.886 310 A CB 1.208 20.181 19.000 -0.046 0.000 1.350 310 A HN 0.856 nan 8.150 nan 0.000 0.479 311 K N -1.001 119.067 120.400 -0.555 0.000 2.243 311 K HA 0.023 4.342 4.320 -0.000 0.000 0.201 311 K C -0.535 175.873 176.600 -0.320 0.000 1.051 311 K CA 0.548 56.453 56.287 -0.637 0.000 0.970 311 K CB 0.108 31.845 32.500 -1.271 0.000 0.755 311 K HN 0.612 nan 8.250 nan 0.000 0.465 312 W N 1.835 123.188 121.300 0.088 0.000 2.975 312 W HA 0.397 5.057 4.660 -0.000 0.000 0.342 312 W C -2.673 173.866 176.519 0.034 0.000 1.168 312 W CA -3.011 54.419 57.345 0.140 0.000 1.141 312 W CB 0.141 29.677 29.460 0.127 0.000 1.445 312 W HN -0.239 nan 8.180 nan 0.000 0.560 313 P HA -0.007 nan 4.420 nan 0.000 0.271 313 P C -0.074 177.297 177.300 0.118 0.000 1.218 313 P CA 0.587 63.745 63.100 0.097 0.000 0.780 313 P CB 0.731 32.459 31.700 0.048 0.000 0.901 314 D N -2.023 118.418 120.400 0.069 0.000 2.870 314 D HA -0.138 4.502 4.640 -0.000 0.000 0.228 314 D C 0.037 176.388 176.300 0.084 0.000 1.147 314 D CA 1.183 55.221 54.000 0.064 0.000 0.757 314 D CB -1.737 39.093 40.800 0.051 0.000 1.091 314 D HN 0.376 nan 8.370 nan 0.000 0.429 315 S N -1.698 114.066 115.700 0.107 0.000 2.638 315 S HA 0.418 4.888 4.470 -0.000 0.000 0.302 315 S C -0.415 174.264 174.600 0.132 0.000 1.096 315 S CA -0.592 57.669 58.200 0.102 0.000 0.953 315 S CB 1.291 64.603 63.200 0.188 0.000 1.107 315 S HN 0.217 nan 8.310 nan 0.000 0.503 316 H N 2.315 121.417 119.070 0.053 0.000 2.803 316 H HA 0.272 4.828 4.556 -0.000 0.000 0.330 316 H C -1.905 173.434 175.328 0.018 0.000 1.057 316 H CA -1.478 54.599 56.048 0.049 0.000 1.458 316 H CB 0.709 30.521 29.762 0.084 0.000 1.470 316 H HN 0.438 nan 8.280 nan 0.000 0.560 317 P HA 0.086 nan 4.420 nan 0.000 0.279 317 P C -1.105 176.295 177.300 0.167 0.000 1.252 317 P CA -0.458 62.672 63.100 0.050 0.000 0.811 317 P CB 1.621 33.259 31.700 -0.104 0.000 1.035 318 D N -1.196 119.309 120.400 0.175 0.000 2.596 318 D HA 0.455 5.095 4.640 -0.000 0.000 0.262 318 D C 0.878 177.366 176.300 0.313 0.000 1.210 318 D CA -0.977 53.199 54.000 0.293 0.000 0.873 318 D CB 0.378 41.325 40.800 0.244 0.000 1.408 318 D HN 0.181 nan 8.370 nan 0.000 0.441 319 A N 0.304 123.341 122.820 0.362 0.000 1.908 319 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 319 A C 2.010 179.573 177.584 -0.034 0.000 1.181 319 A CA 1.700 53.966 52.037 0.382 0.000 0.627 319 A CB -1.042 18.208 19.000 0.416 0.000 0.818 319 A HN 0.647 nan 8.150 nan 0.000 0.445 320 L N -1.436 119.599 121.223 -0.314 0.000 1.989 320 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 320 L C 2.485 179.141 176.870 -0.357 0.000 1.071 320 L CA 2.321 56.662 54.840 -0.832 0.000 0.749 320 L CB -0.386 41.437 42.059 -0.393 0.000 0.890 320 L HN 0.553 nan 8.230 nan 0.000 0.431 321 H N -0.730 118.293 119.070 -0.078 0.000 2.495 321 H HA 0.036 4.591 4.556 -0.000 0.000 0.287 321 H C 2.118 177.405 175.328 -0.069 0.000 1.033 321 H CA 1.005 57.027 56.048 -0.044 0.000 1.307 321 H CB -0.129 29.607 29.762 -0.044 0.000 1.401 321 H HN 0.516 nan 8.280 nan 0.000 0.555 322 A N 0.218 123.069 122.820 0.052 0.000 1.873 322 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 322 A C 2.067 179.689 177.584 0.063 0.000 1.186 322 A CA 1.451 53.527 52.037 0.065 0.000 0.616 322 A CB -0.900 17.991 19.000 -0.181 0.000 0.823 322 A HN 0.512 nan 8.150 nan 0.000 0.442 323 Y N -0.568 119.679 120.300 -0.089 0.000 2.163 323 Y HA -0.170 4.379 4.550 -0.000 0.000 0.288 323 Y C 1.925 177.451 175.900 -0.623 0.000 1.136 323 Y CA 1.755 59.647 58.100 -0.348 0.000 1.147 323 Y CB -0.541 37.552 38.460 -0.612 0.000 0.987 323 Y HN 0.275 nan 8.280 nan 0.000 0.509 324 F N -0.256 119.341 119.950 -0.587 0.000 2.234 324 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 324 F C 2.568 177.983 175.800 -0.641 0.000 1.087 324 F CA 1.094 58.635 58.000 -0.765 0.000 1.340 324 F CB -0.802 37.762 39.000 -0.727 0.000 1.031 324 F HN 0.135 nan 8.300 nan 0.000 0.500 325 G N 0.314 108.825 108.800 -0.481 0.000 2.418 325 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 325 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 325 G C 1.729 176.140 174.900 -0.816 0.000 1.158 325 G CA 0.784 45.435 45.100 -0.747 0.000 0.771 325 G HN 0.332 nan 8.290 nan 0.000 0.545 326 I N 0.342 120.465 120.570 -0.745 0.000 2.226 326 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 326 I C 2.697 178.507 176.117 -0.511 0.000 1.100 326 I CA 0.620 61.609 61.300 -0.519 0.000 1.374 326 I CB -0.153 37.698 38.000 -0.249 0.000 1.057 326 I HN 0.192 nan 8.210 nan 0.000 0.413 327 C N 0.651 119.553 119.300 -0.663 0.000 2.435 327 C HA -0.057 4.403 4.460 -0.000 0.000 0.279 327 C C 2.905 177.730 174.990 -0.274 0.000 1.321 327 C CA 0.863 59.540 59.018 -0.568 0.000 1.752 327 C CB -1.708 25.432 27.740 -1.000 0.000 1.959 327 C HN 0.664 nan 8.230 nan 0.000 0.500 328 G N 0.381 109.019 108.800 -0.271 0.000 2.402 328 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 328 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 328 G C 1.415 176.172 174.900 -0.238 0.000 1.162 328 G CA 0.564 45.542 45.100 -0.202 0.000 0.777 328 G HN 0.338 nan 8.290 nan 0.000 0.539 329 L N 1.279 122.326 121.223 -0.293 0.000 2.046 329 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 329 L C 3.072 179.783 176.870 -0.266 0.000 1.077 329 L CA 1.907 56.576 54.840 -0.285 0.000 0.747 329 L CB -1.056 40.767 42.059 -0.393 0.000 0.896 329 L HN 0.337 nan 8.230 nan 0.000 0.432 330 S N -0.865 114.671 115.700 -0.274 0.000 2.383 330 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 330 S C 2.017 176.509 174.600 -0.180 0.000 1.030 330 S CA 0.826 58.898 58.200 -0.214 0.000 1.002 330 S CB -0.173 62.901 63.200 -0.210 0.000 0.829 330 S HN 0.253 nan 8.310 nan 0.000 0.467 331 L N 1.099 122.181 121.223 -0.234 0.000 2.187 331 L HA 0.108 4.448 4.340 -0.000 0.000 0.213 331 L C 2.033 178.806 176.870 -0.161 0.000 1.100 331 L CA 1.706 56.360 54.840 -0.310 0.000 0.765 331 L CB -0.890 40.752 42.059 -0.694 0.000 0.904 331 L HN 0.493 nan 8.230 nan 0.000 0.437 332 M N -1.404 118.082 119.600 -0.191 0.000 2.419 332 M HA 0.101 4.581 4.480 -0.000 0.000 0.252 332 M C -0.202 176.069 176.300 -0.048 0.000 1.143 332 M CA 0.017 55.169 55.300 -0.247 0.000 0.985 332 M CB 0.164 32.434 32.600 -0.549 0.000 1.489 332 M HN 0.073 nan 8.290 nan 0.000 0.484 333 E N 1.511 121.678 120.200 -0.055 0.000 2.246 333 E HA -0.190 4.159 4.350 -0.000 0.000 0.211 333 E C -0.119 176.452 176.600 -0.048 0.000 1.278 333 E CA 0.211 56.592 56.400 -0.032 0.000 0.694 333 E CB -1.067 28.649 29.700 0.027 0.000 1.166 333 E HN 0.438 nan 8.360 nan 0.000 0.370 334 E N 0.891 121.021 120.200 -0.116 0.000 2.414 334 E HA 0.075 4.425 4.350 -0.000 0.000 0.263 334 E C -0.308 176.227 176.600 -0.107 0.000 1.000 334 E CA 0.115 56.425 56.400 -0.151 0.000 0.914 334 E CB 0.896 30.403 29.700 -0.321 0.000 0.948 334 E HN 0.167 nan 8.360 nan 0.000 0.444 335 S N 3.445 119.114 115.700 -0.053 0.000 2.466 335 S HA 0.383 4.853 4.470 -0.000 0.000 0.286 335 S C 0.837 175.448 174.600 0.018 0.000 1.221 335 S CA 0.805 59.003 58.200 -0.002 0.000 1.091 335 S CB -0.738 62.481 63.200 0.032 0.000 0.956 335 S HN 0.917 nan 8.310 nan 0.000 0.501 336 G N 4.204 113.018 108.800 0.023 0.000 2.192 336 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.193 336 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.193 336 G C -0.070 174.864 174.900 0.057 0.000 0.999 336 G CA -0.110 45.037 45.100 0.078 0.000 0.659 336 G HN 0.696 nan 8.290 nan 0.000 0.503 337 I N 1.194 121.742 120.570 -0.036 0.000 2.465 337 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 337 I C 0.987 177.069 176.117 -0.058 0.000 1.014 337 I CA -1.173 60.089 61.300 -0.063 0.000 1.093 337 I CB 1.733 39.617 38.000 -0.194 0.000 1.267 337 I HN 0.089 nan 8.210 nan 0.000 0.431 338 C N 4.066 123.343 119.300 -0.039 0.000 2.775 338 C HA 0.042 4.502 4.460 -0.000 0.000 0.391 338 C C 0.978 175.937 174.990 -0.051 0.000 1.295 338 C CA -0.286 58.712 59.018 -0.032 0.000 2.119 338 C CB -0.224 27.503 27.740 -0.021 0.000 2.705 338 C HN 0.690 nan 8.230 nan 0.000 0.710 339 K N 0.757 121.139 120.400 -0.029 0.000 2.298 339 K HA 0.427 4.747 4.320 -0.000 0.000 0.280 339 K C -0.422 176.168 176.600 -0.016 0.000 1.032 339 K CA -0.223 56.045 56.287 -0.031 0.000 0.958 339 K CB 0.736 33.230 32.500 -0.011 0.000 0.978 339 K HN 0.539 nan 8.250 nan 0.000 0.472 340 V N 4.476 124.376 119.914 -0.024 0.000 2.644 340 V HA 0.114 4.234 4.120 -0.000 0.000 0.295 340 V C -0.480 175.677 176.094 0.104 0.000 1.053 340 V CA -0.566 61.750 62.300 0.028 0.000 0.987 340 V CB 1.335 33.156 31.823 -0.004 0.000 1.006 340 V HN 0.817 nan 8.190 nan 0.000 0.472 341 H N 8.463 127.587 119.070 0.089 0.000 2.846 341 H HA 0.348 4.904 4.556 -0.000 0.000 0.278 341 H C -1.794 173.654 175.328 0.200 0.000 1.117 341 H CA -1.886 54.231 56.048 0.115 0.000 1.406 341 H CB 1.720 31.551 29.762 0.114 0.000 1.445 341 H HN 0.537 nan 8.280 nan 0.000 0.469 342 P HA -0.167 nan 4.420 nan 0.000 0.218 342 P C 0.886 178.446 177.300 0.433 0.000 1.146 342 P CA 1.608 64.836 63.100 0.213 0.000 0.813 342 P CB 0.355 32.041 31.700 -0.023 0.000 0.778 343 A N -1.105 121.985 122.820 0.451 0.000 1.973 343 A HA 0.077 4.397 4.320 -0.000 0.000 0.210 343 A C 2.060 179.970 177.584 0.544 0.000 1.200 343 A CA 0.399 52.698 52.037 0.436 0.000 0.707 343 A CB -1.122 18.031 19.000 0.255 0.000 0.862 343 A HN 0.109 nan 8.150 nan 0.000 0.461 344 L N -0.364 121.162 121.223 0.505 0.000 2.341 344 L HA 0.132 4.472 4.340 -0.000 0.000 0.214 344 L C 0.693 177.821 176.870 0.431 0.000 1.115 344 L CA 1.318 56.277 54.840 0.198 0.000 0.820 344 L CB -0.886 40.974 42.059 -0.332 0.000 0.944 344 L HN 0.618 nan 8.230 nan 0.000 0.452 345 N N -0.712 118.321 118.700 0.555 0.000 2.758 345 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 345 N C -0.730 175.012 175.510 0.387 0.000 1.076 345 N CA 0.916 54.263 53.050 0.496 0.000 0.696 345 N CB -1.207 37.672 38.487 0.652 0.000 0.979 345 N HN 0.243 nan 8.380 nan 0.000 0.550 346 V N -3.499 116.581 119.914 0.277 0.000 3.181 346 V HA 0.848 4.968 4.120 -0.000 0.000 0.308 346 V C 0.582 176.752 176.094 0.126 0.000 1.214 346 V CA -0.454 61.955 62.300 0.182 0.000 1.053 346 V CB 1.419 33.324 31.823 0.137 0.000 1.069 346 V HN 0.485 nan 8.190 nan 0.000 0.441 347 S N 0.040 115.776 115.700 0.059 0.000 2.579 347 S HA 0.173 4.643 4.470 -0.000 0.000 0.275 347 S C 1.366 176.015 174.600 0.081 0.000 1.345 347 S CA 0.388 58.613 58.200 0.042 0.000 1.031 347 S CB 0.867 64.068 63.200 0.002 0.000 0.892 347 S HN 1.762 nan 8.310 nan 0.000 0.529 348 T N -0.257 114.350 114.554 0.089 0.000 2.833 348 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 348 T C 1.794 176.536 174.700 0.070 0.000 1.054 348 T CA 1.093 63.263 62.100 0.116 0.000 1.135 348 T CB -0.506 68.415 68.868 0.087 0.000 0.869 348 T HN 0.723 nan 8.240 nan 0.000 0.466 349 R N 1.193 121.716 120.500 0.038 0.000 2.096 349 R HA -0.154 4.186 4.340 -0.000 0.000 0.240 349 R C 2.237 178.541 176.300 0.007 0.000 1.139 349 R CA 2.146 58.256 56.100 0.017 0.000 0.952 349 R CB -1.056 29.247 30.300 0.006 0.000 0.854 349 R HN 0.448 nan 8.270 nan 0.000 0.436 350 T N 0.374 114.933 114.554 0.008 0.000 2.821 350 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 350 T C 1.860 176.549 174.700 -0.018 0.000 1.046 350 T CA 1.571 63.665 62.100 -0.009 0.000 1.139 350 T CB -0.188 68.677 68.868 -0.005 0.000 0.871 350 T HN 0.553 nan 8.240 nan 0.000 0.454 351 S N 1.587 117.296 115.700 0.014 0.000 2.423 351 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 351 S C 1.823 176.420 174.600 -0.005 0.000 1.014 351 S CA 0.895 59.096 58.200 0.002 0.000 0.965 351 S CB -0.332 62.900 63.200 0.053 0.000 0.785 351 S HN 0.553 nan 8.310 nan 0.000 0.495 352 E N 1.002 121.208 120.200 0.009 0.000 2.046 352 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 352 E C 2.393 178.955 176.600 -0.064 0.000 0.982 352 E CA 0.588 56.983 56.400 -0.009 0.000 0.800 352 E CB -0.154 29.551 29.700 0.008 0.000 0.756 352 E HN 0.256 nan 8.360 nan 0.000 0.449 353 R N 1.160 121.620 120.500 -0.067 0.000 2.105 353 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 353 R C 2.265 178.459 176.300 -0.177 0.000 1.135 353 R CA 0.978 57.021 56.100 -0.095 0.000 0.967 353 R CB -0.550 29.710 30.300 -0.068 0.000 0.861 353 R HN 0.217 nan 8.270 nan 0.000 0.442 354 L N 1.228 122.326 121.223 -0.208 0.000 2.093 354 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 354 L C 2.598 179.112 176.870 -0.593 0.000 1.085 354 L CA 1.766 56.370 54.840 -0.393 0.000 0.755 354 L CB -0.559 41.314 42.059 -0.310 0.000 0.904 354 L HN 0.090 nan 8.230 nan 0.000 0.435 355 R N -0.598 119.703 120.500 -0.331 0.000 2.096 355 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 355 R C 1.758 177.926 176.300 -0.221 0.000 1.127 355 R CA 1.803 57.762 56.100 -0.236 0.000 0.968 355 R CB -0.281 29.979 30.300 -0.068 0.000 0.861 355 R HN 0.434 nan 8.270 nan 0.000 0.440 356 D N 0.736 121.015 120.400 -0.203 0.000 2.144 356 D HA -0.166 4.474 4.640 -0.000 0.000 0.200 356 D C 1.997 178.139 176.300 -0.263 0.000 0.978 356 D CA 0.831 54.730 54.000 -0.169 0.000 0.833 356 D CB -0.169 40.560 40.800 -0.118 0.000 0.961 356 D HN 0.280 nan 8.370 nan 0.000 0.470 357 L N 0.285 121.268 121.223 -0.401 0.000 2.079 357 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 357 L C 2.341 178.596 176.870 -1.026 0.000 1.081 357 L CA 1.363 55.828 54.840 -0.626 0.000 0.752 357 L CB -0.254 41.417 42.059 -0.646 0.000 0.896 357 L HN 0.203 nan 8.230 nan 0.000 0.433 358 H N -1.551 117.016 119.070 -0.838 0.000 2.326 358 H HA -0.180 4.376 4.556 -0.000 0.000 0.301 358 H C 2.481 177.612 175.328 -0.329 0.000 1.081 358 H CA 1.099 56.733 56.048 -0.690 0.000 1.334 358 H CB 0.099 29.624 29.762 -0.396 0.000 1.385 358 H HN 0.439 nan 8.280 nan 0.000 0.504 359 Q N 0.990 120.729 119.800 -0.101 0.000 2.135 359 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 359 Q C 2.405 178.392 176.000 -0.022 0.000 0.981 359 Q CA 1.827 57.606 55.803 -0.039 0.000 0.856 359 Q CB -0.925 27.789 28.738 -0.039 0.000 0.902 359 Q HN 0.632 nan 8.270 nan 0.000 0.425 360 S N -1.422 114.233 115.700 -0.076 0.000 2.406 360 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 360 S C 1.777 176.476 174.600 0.166 0.000 1.020 360 S CA 1.002 59.210 58.200 0.014 0.000 0.965 360 S CB -0.480 62.716 63.200 -0.007 0.000 0.798 360 S HN 0.772 nan 8.310 nan 0.000 0.488 361 W N 2.560 123.883 121.300 0.038 0.000 2.402 361 W HA 0.267 4.927 4.660 -0.000 0.000 0.286 361 W C 1.635 178.161 176.519 0.011 0.000 1.221 361 W CA 0.312 57.671 57.345 0.024 0.000 1.257 361 W CB -1.125 28.352 29.460 0.028 0.000 1.120 361 W HN 0.484 nan 8.180 nan 0.000 0.551 362 K N 1.940 122.470 120.400 0.218 0.000 2.166 362 K HA 0.422 4.742 4.320 -0.000 0.000 0.273 362 K C 0.258 176.912 176.600 0.091 0.000 1.095 362 K CA 0.708 57.070 56.287 0.124 0.000 0.985 362 K CB -1.061 31.487 32.500 0.081 0.000 1.172 362 K HN 0.226 nan 8.250 nan 0.000 0.401 363 T N 0.000 114.604 114.554 0.083 0.000 3.816 363 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 363 T CA 0.000 62.136 62.100 0.060 0.000 1.349 363 T CB 0.000 68.907 68.868 0.066 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658