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 1n4r_1_H 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 0.000 176.903 176.870 0.056 0.000 1.165 18 L CA 0.000 54.857 54.840 0.028 0.000 0.813 18 L CB 0.000 42.066 42.059 0.011 0.000 0.961 19 D N -1.054 119.383 120.400 0.061 0.000 2.727 19 D HA 0.375 5.015 4.640 -0.000 0.000 0.264 19 D C -0.626 175.784 176.300 0.183 0.000 1.101 19 D CA -0.435 53.635 54.000 0.118 0.000 1.122 19 D CB 0.844 41.703 40.800 0.099 0.000 1.390 19 D HN 0.159 nan 8.370 nan 0.000 0.606 20 F N 0.689 120.675 119.950 0.059 0.000 2.439 20 F HA 0.268 4.795 4.527 -0.000 0.000 0.356 20 F C -0.189 175.631 175.800 0.032 0.000 1.161 20 F CA -1.090 56.971 58.000 0.102 0.000 1.151 20 F CB -0.061 39.018 39.000 0.132 0.000 1.222 20 F HN 0.101 nan 8.300 nan 0.000 0.558 21 L N 7.445 128.400 121.223 -0.445 0.000 2.511 21 L HA 0.119 4.459 4.340 -0.000 0.000 0.239 21 L C 1.982 178.303 176.870 -0.915 0.000 1.400 21 L CA 0.476 54.950 54.840 -0.609 0.000 1.226 21 L CB -1.466 40.232 42.059 -0.601 0.000 1.475 21 L HN 0.638 nan 8.230 nan 0.000 0.428 22 R N 0.391 120.353 120.500 -0.897 0.000 2.159 22 R HA -0.242 4.098 4.340 -0.000 0.000 0.249 22 R C 1.387 177.479 176.300 -0.346 0.000 1.136 22 R CA 2.313 58.018 56.100 -0.658 0.000 0.951 22 R CB 0.102 30.272 30.300 -0.217 0.000 0.876 22 R HN 0.495 nan 8.270 nan 0.000 0.440 23 D N -0.244 119.993 120.400 -0.272 0.000 2.104 23 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 23 D C 2.097 178.268 176.300 -0.216 0.000 0.994 23 D CA 1.285 55.178 54.000 -0.178 0.000 0.830 23 D CB -0.291 40.425 40.800 -0.139 0.000 0.959 23 D HN 0.351 nan 8.370 nan 0.000 0.452 24 R N -0.063 120.230 120.500 -0.345 0.000 2.103 24 R HA -0.156 4.184 4.340 -0.000 0.000 0.242 24 R C 2.245 178.361 176.300 -0.305 0.000 1.142 24 R CA 1.102 56.992 56.100 -0.350 0.000 0.960 24 R CB -0.389 29.617 30.300 -0.490 0.000 0.858 24 R HN 0.424 nan 8.270 nan 0.000 0.439 25 H N -0.342 118.557 119.070 -0.285 0.000 2.423 25 H HA -0.032 4.524 4.556 -0.000 0.000 0.297 25 H C 2.243 177.437 175.328 -0.223 0.000 1.075 25 H CA 1.105 56.946 56.048 -0.345 0.000 1.342 25 H CB -0.246 29.301 29.762 -0.358 0.000 1.395 25 H HN 0.009 nan 8.280 nan 0.000 0.530 26 V N 0.635 120.562 119.914 0.021 0.000 2.358 26 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 26 V C 2.741 178.892 176.094 0.095 0.000 1.047 26 V CA 1.728 64.097 62.300 0.116 0.000 1.035 26 V CB -0.519 31.348 31.823 0.073 0.000 0.658 26 V HN 0.225 nan 8.190 nan 0.000 0.452 27 R N -0.949 119.563 120.500 0.021 0.000 2.081 27 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 27 R C 2.047 178.361 176.300 0.023 0.000 1.131 27 R CA 1.724 57.828 56.100 0.006 0.000 0.960 27 R CB -1.283 28.997 30.300 -0.034 0.000 0.856 27 R HN 0.728 nan 8.270 nan 0.000 0.436 28 F N 0.401 120.270 119.950 -0.136 0.000 2.065 28 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 28 F C 1.956 177.710 175.800 -0.077 0.000 1.112 28 F CA 1.884 59.787 58.000 -0.161 0.000 1.212 28 F CB -0.412 38.425 39.000 -0.273 0.000 0.975 28 F HN 0.148 nan 8.300 nan 0.000 0.476 29 F N 0.328 120.454 119.950 0.293 0.000 2.171 29 F HA -0.245 4.282 4.527 -0.000 0.000 0.300 29 F C 2.531 178.319 175.800 -0.020 0.000 1.090 29 F CA 1.031 59.119 58.000 0.147 0.000 1.293 29 F CB -0.521 38.559 39.000 0.135 0.000 1.013 29 F HN 0.074 nan 8.300 nan 0.000 0.486 30 Q N 0.137 120.027 119.800 0.150 0.000 2.050 30 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 30 Q C 2.215 178.183 176.000 -0.053 0.000 0.980 30 Q CA 1.450 57.271 55.803 0.030 0.000 0.840 30 Q CB -0.342 28.401 28.738 0.008 0.000 0.898 30 Q HN 0.365 nan 8.270 nan 0.000 0.424 31 R N 0.032 120.466 120.500 -0.111 0.000 2.091 31 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 31 R C 2.476 178.647 176.300 -0.214 0.000 1.136 31 R CA 1.675 57.662 56.100 -0.189 0.000 0.959 31 R CB -0.439 29.693 30.300 -0.280 0.000 0.856 31 R HN 0.308 nan 8.270 nan 0.000 0.437 32 C N 0.033 119.204 119.300 -0.214 0.000 2.413 32 C HA -0.062 4.397 4.460 -0.000 0.000 0.276 32 C C 2.167 177.074 174.990 -0.140 0.000 1.248 32 C CA 0.349 59.263 59.018 -0.173 0.000 1.742 32 C CB -0.780 26.942 27.740 -0.031 0.000 2.017 32 C HN 0.410 nan 8.230 nan 0.000 0.481 33 L N 0.794 121.947 121.223 -0.116 0.000 2.456 33 L HA -0.060 4.280 4.340 -0.000 0.000 0.224 33 L C 2.228 178.982 176.870 -0.192 0.000 1.148 33 L CA 1.542 56.283 54.840 -0.164 0.000 0.825 33 L CB -1.513 40.462 42.059 -0.139 0.000 0.937 33 L HN 0.594 nan 8.230 nan 0.000 0.450 34 Q N -1.257 118.445 119.800 -0.163 0.000 2.050 34 Q HA 0.167 4.507 4.340 -0.000 0.000 0.200 34 Q C -0.101 175.809 176.000 -0.151 0.000 0.988 34 Q CA 0.478 56.189 55.803 -0.153 0.000 0.845 34 Q CB 0.393 29.056 28.738 -0.125 0.000 0.917 34 Q HN 0.142 nan 8.270 nan 0.000 0.481 35 V N 1.155 120.984 119.914 -0.143 0.000 2.841 35 V HA 0.402 4.522 4.120 -0.000 0.000 0.310 35 V C -1.102 174.903 176.094 -0.148 0.000 1.090 35 V CA -0.644 61.582 62.300 -0.124 0.000 0.930 35 V CB 2.155 33.923 31.823 -0.091 0.000 1.014 35 V HN 0.231 nan 8.190 nan 0.000 0.425 36 L N 4.371 125.517 121.223 -0.128 0.000 2.346 36 L HA 0.637 4.977 4.340 -0.000 0.000 0.274 36 L C -2.417 174.433 176.870 -0.034 0.000 1.007 36 L CA -1.767 52.968 54.840 -0.176 0.000 0.818 36 L CB 2.048 43.988 42.059 -0.198 0.000 1.284 36 L HN 0.439 nan 8.230 nan 0.000 0.424 37 P HA 0.186 nan 4.420 nan 0.000 0.272 37 P C 0.671 178.124 177.300 0.255 0.000 1.223 37 P CA -0.244 62.962 63.100 0.177 0.000 0.784 37 P CB 0.665 32.524 31.700 0.265 0.000 0.923 38 E N 1.164 121.447 120.200 0.139 0.000 2.393 38 E HA -0.251 4.099 4.350 -0.000 0.000 0.201 38 E C 1.985 178.637 176.600 0.087 0.000 1.025 38 E CA 1.996 58.458 56.400 0.102 0.000 0.856 38 E CB -1.227 28.508 29.700 0.058 0.000 0.771 38 E HN 0.540 nan 8.360 nan 0.000 0.526 39 R N -0.503 120.051 120.500 0.090 0.000 2.316 39 R HA 0.117 4.457 4.340 -0.000 0.000 0.202 39 R C 1.143 177.217 176.300 -0.376 0.000 1.029 39 R CA 1.141 57.153 56.100 -0.147 0.000 1.018 39 R CB -0.878 29.273 30.300 -0.249 0.000 0.888 39 R HN 0.701 nan 8.270 nan 0.000 0.471 40 Y N -0.211 120.105 120.300 0.026 0.000 2.720 40 Y HA 0.154 4.704 4.550 -0.000 0.000 0.268 40 Y C 2.131 178.049 175.900 0.030 0.000 1.142 40 Y CA -0.349 57.772 58.100 0.035 0.000 1.193 40 Y CB 0.225 38.707 38.460 0.037 0.000 1.176 40 Y HN 0.294 nan 8.280 nan 0.000 0.542 41 S N -0.936 114.827 115.700 0.105 0.000 2.419 41 S HA -0.210 4.260 4.470 -0.000 0.000 0.233 41 S C 1.986 176.615 174.600 0.048 0.000 1.016 41 S CA 1.326 59.570 58.200 0.073 0.000 0.974 41 S CB -0.634 62.593 63.200 0.045 0.000 0.786 41 S HN 0.471 nan 8.310 nan 0.000 0.492 42 S N 1.298 117.023 115.700 0.040 0.000 2.603 42 S HA 0.196 4.666 4.470 -0.000 0.000 0.229 42 S C 1.371 175.993 174.600 0.036 0.000 0.972 42 S CA 0.339 58.555 58.200 0.027 0.000 0.935 42 S CB -0.683 62.532 63.200 0.025 0.000 0.769 42 S HN 0.585 nan 8.310 nan 0.000 0.536 43 L N 0.381 121.645 121.223 0.068 0.000 2.640 43 L HA 0.310 4.650 4.340 -0.000 0.000 0.230 43 L C 2.385 179.270 176.870 0.025 0.000 1.123 43 L CA 0.174 55.055 54.840 0.068 0.000 0.900 43 L CB -0.216 41.924 42.059 0.134 0.000 1.146 43 L HN 0.219 nan 8.230 nan 0.000 0.484 44 E N 1.441 121.645 120.200 0.007 0.000 2.065 44 E HA -0.267 4.083 4.350 -0.000 0.000 0.201 44 E C 1.939 178.480 176.600 -0.098 0.000 1.016 44 E CA 2.402 58.794 56.400 -0.012 0.000 0.818 44 E CB -0.201 29.488 29.700 -0.018 0.000 0.749 44 E HN 0.413 nan 8.360 nan 0.000 0.453 45 T N -2.313 112.086 114.554 -0.257 0.000 3.215 45 T HA 0.061 4.411 4.350 -0.000 0.000 0.254 45 T C 0.768 175.331 174.700 -0.228 0.000 1.149 45 T CA 0.538 62.386 62.100 -0.420 0.000 1.042 45 T CB -0.345 68.138 68.868 -0.641 0.000 0.966 45 T HN 0.139 nan 8.240 nan 0.000 0.534 46 S N -0.759 114.866 115.700 -0.124 0.000 2.941 46 S HA 0.397 4.867 4.470 -0.000 0.000 0.248 46 S C 0.952 175.535 174.600 -0.029 0.000 0.962 46 S CA -0.965 57.172 58.200 -0.106 0.000 1.092 46 S CB 0.159 63.294 63.200 -0.107 0.000 1.113 46 S HN 0.310 nan 8.310 nan 0.000 0.512 47 R N 0.176 120.700 120.500 0.039 0.000 2.115 47 R HA 0.116 4.456 4.340 -0.000 0.000 0.230 47 R C 1.907 178.297 176.300 0.149 0.000 1.111 47 R CA 0.999 57.168 56.100 0.115 0.000 0.976 47 R CB -0.372 30.057 30.300 0.215 0.000 0.870 47 R HN 0.395 nan 8.270 nan 0.000 0.445 48 L N 1.060 122.358 121.223 0.126 0.000 2.131 48 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 48 L C 2.230 179.061 176.870 -0.065 0.000 1.092 48 L CA 2.206 57.100 54.840 0.089 0.000 0.759 48 L CB -0.795 41.223 42.059 -0.068 0.000 0.903 48 L HN 0.282 nan 8.230 nan 0.000 0.435 49 T N -3.863 110.588 114.554 -0.172 0.000 2.985 49 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 49 T C 1.908 176.266 174.700 -0.569 0.000 1.076 49 T CA 0.808 62.669 62.100 -0.399 0.000 1.135 49 T CB -0.352 68.276 68.868 -0.401 0.000 0.890 49 T HN 0.184 nan 8.240 nan 0.000 0.480 50 I N 2.144 122.564 120.570 -0.251 0.000 2.439 50 I HA 0.103 4.273 4.170 -0.000 0.000 0.251 50 I C 3.062 179.124 176.117 -0.091 0.000 1.139 50 I CA 0.893 62.132 61.300 -0.102 0.000 1.438 50 I CB -1.706 36.317 38.000 0.039 0.000 1.085 50 I HN 0.380 nan 8.210 nan 0.000 0.427 51 A N 0.959 123.738 122.820 -0.068 0.000 1.877 51 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 51 A C 2.305 179.796 177.584 -0.155 0.000 1.186 51 A CA 1.425 53.423 52.037 -0.064 0.000 0.620 51 A CB -1.127 17.934 19.000 0.102 0.000 0.822 51 A HN 0.378 nan 8.150 nan 0.000 0.443 52 F N 0.004 119.745 119.950 -0.347 0.000 2.095 52 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 52 F C 1.994 177.464 175.800 -0.550 0.000 1.104 52 F CA 1.802 59.523 58.000 -0.465 0.000 1.232 52 F CB -0.485 38.170 39.000 -0.574 0.000 0.987 52 F HN 0.264 nan 8.300 nan 0.000 0.475 53 F N 0.153 119.747 119.950 -0.593 0.000 2.126 53 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 53 F C 2.600 177.805 175.800 -0.991 0.000 1.096 53 F CA 0.548 57.995 58.000 -0.922 0.000 1.255 53 F CB -0.812 37.991 39.000 -0.328 0.000 0.997 53 F HN 0.153 nan 8.300 nan 0.000 0.479 54 A N 0.405 122.947 122.820 -0.463 0.000 1.872 54 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 54 A C 2.141 179.322 177.584 -0.672 0.000 1.187 54 A CA 0.954 52.630 52.037 -0.600 0.000 0.614 54 A CB -0.918 18.003 19.000 -0.131 0.000 0.826 54 A HN 0.315 nan 8.150 nan 0.000 0.442 55 L N -0.890 120.042 121.223 -0.485 0.000 1.994 55 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 55 L C 2.899 179.485 176.870 -0.474 0.000 1.071 55 L CA 1.651 56.261 54.840 -0.382 0.000 0.745 55 L CB -0.574 41.319 42.059 -0.278 0.000 0.892 55 L HN 0.460 nan 8.230 nan 0.000 0.431 56 S N -0.150 115.119 115.700 -0.718 0.000 2.399 56 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 56 S C 1.920 176.260 174.600 -0.433 0.000 1.022 56 S CA 1.283 59.078 58.200 -0.675 0.000 0.983 56 S CB -0.365 62.064 63.200 -1.286 0.000 0.803 56 S HN 0.549 nan 8.310 nan 0.000 0.480 57 G N 1.099 109.488 108.800 -0.685 0.000 2.408 57 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.217 57 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.217 57 G C 1.385 176.130 174.900 -0.258 0.000 1.150 57 G CA 0.606 45.367 45.100 -0.565 0.000 0.776 57 G HN 0.505 nan 8.290 nan 0.000 0.542 58 L N 0.316 121.347 121.223 -0.319 0.000 2.072 58 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 58 L C 2.587 179.448 176.870 -0.016 0.000 1.079 58 L CA 1.253 56.082 54.840 -0.017 0.000 0.752 58 L CB -0.337 41.701 42.059 -0.035 0.000 0.906 58 L HN 0.158 nan 8.230 nan 0.000 0.436 59 D N 0.198 120.544 120.400 -0.090 0.000 2.123 59 D HA -0.264 4.376 4.640 -0.000 0.000 0.196 59 D C 2.126 178.416 176.300 -0.017 0.000 0.992 59 D CA 1.502 55.469 54.000 -0.056 0.000 0.833 59 D CB 0.051 40.795 40.800 -0.094 0.000 0.954 59 D HN 0.026 nan 8.370 nan 0.000 0.455 60 M N -0.346 119.243 119.600 -0.019 0.000 2.279 60 M HA 0.032 4.512 4.480 -0.000 0.000 0.264 60 M C 1.612 177.945 176.300 0.055 0.000 1.062 60 M CA 1.059 56.361 55.300 0.003 0.000 1.099 60 M CB -0.096 32.489 32.600 -0.024 0.000 1.394 60 M HN 0.086 nan 8.290 nan 0.000 0.426 61 L N -1.275 120.010 121.223 0.104 0.000 2.607 61 L HA 0.109 4.449 4.340 -0.000 0.000 0.228 61 L C 0.091 177.023 176.870 0.104 0.000 1.123 61 L CA -0.179 54.753 54.840 0.154 0.000 0.890 61 L CB -0.330 41.870 42.059 0.236 0.000 1.103 61 L HN 0.244 nan 8.230 nan 0.000 0.468 62 D N 0.572 121.010 120.400 0.064 0.000 2.828 62 D HA -0.199 4.441 4.640 -0.000 0.000 0.241 62 D C 0.148 176.475 176.300 0.045 0.000 1.142 62 D CA 0.683 54.709 54.000 0.043 0.000 0.755 62 D CB -0.739 40.087 40.800 0.043 0.000 1.014 62 D HN 0.210 nan 8.370 nan 0.000 0.420 63 S N 0.291 116.017 115.700 0.043 0.000 3.073 63 S HA 0.170 4.640 4.470 -0.000 0.000 0.252 63 S C 1.440 176.054 174.600 0.024 0.000 0.953 63 S CA -0.594 57.631 58.200 0.042 0.000 1.105 63 S CB 0.217 63.459 63.200 0.070 0.000 1.070 63 S HN 0.422 nan 8.310 nan 0.000 0.574 64 L N 2.371 123.598 121.223 0.007 0.000 2.549 64 L HA -0.110 4.230 4.340 -0.000 0.000 0.230 64 L C 2.331 179.199 176.870 -0.004 0.000 1.162 64 L CA 1.173 56.007 54.840 -0.010 0.000 0.834 64 L CB -0.201 41.846 42.059 -0.021 0.000 0.947 64 L HN 0.503 nan 8.230 nan 0.000 0.452 65 D N 0.065 120.467 120.400 0.004 0.000 2.183 65 D HA -0.146 4.494 4.640 -0.000 0.000 0.203 65 D C 1.723 178.024 176.300 0.002 0.000 0.969 65 D CA 1.317 55.319 54.000 0.004 0.000 0.842 65 D CB -0.492 40.312 40.800 0.007 0.000 0.957 65 D HN 0.308 nan 8.370 nan 0.000 0.484 66 V N -0.154 119.762 119.914 0.004 0.000 3.559 66 V HA 0.119 4.239 4.120 -0.000 0.000 0.272 66 V C 0.700 176.790 176.094 -0.007 0.000 1.235 66 V CA 0.329 62.630 62.300 0.001 0.000 1.192 66 V CB -1.551 30.278 31.823 0.009 0.000 0.930 66 V HN 0.246 nan 8.190 nan 0.000 0.492 67 V N -2.715 117.192 119.914 -0.010 0.000 3.049 67 V HA 0.592 4.712 4.120 -0.000 0.000 0.309 67 V C -0.313 175.774 176.094 -0.011 0.000 1.148 67 V CA -0.961 61.328 62.300 -0.019 0.000 0.990 67 V CB 1.973 33.779 31.823 -0.029 0.000 1.039 67 V HN 0.221 nan 8.190 nan 0.000 0.430 68 N N 2.296 120.989 118.700 -0.012 0.000 2.807 68 N HA 0.224 4.964 4.740 -0.000 0.000 0.259 68 N C 0.977 176.498 175.510 0.018 0.000 1.149 68 N CA -0.020 53.032 53.050 0.003 0.000 1.042 68 N CB 0.624 39.113 38.487 0.003 0.000 1.367 68 N HN 0.814 nan 8.380 nan 0.000 0.516 69 K N 0.976 121.387 120.400 0.019 0.000 2.144 69 K HA -0.265 4.055 4.320 -0.000 0.000 0.209 69 K C 1.571 178.208 176.600 0.061 0.000 1.047 69 K CA 2.322 58.628 56.287 0.032 0.000 0.927 69 K CB -0.140 32.376 32.500 0.026 0.000 0.716 69 K HN 0.619 nan 8.250 nan 0.000 0.454 70 D N 1.664 122.100 120.400 0.061 0.000 2.117 70 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 70 D C 1.678 178.046 176.300 0.113 0.000 0.982 70 D CA 1.490 55.540 54.000 0.084 0.000 0.828 70 D CB -0.374 40.464 40.800 0.065 0.000 0.967 70 D HN 0.179 nan 8.370 nan 0.000 0.464 71 D N 0.149 120.605 120.400 0.093 0.000 2.084 71 D HA -0.068 4.572 4.640 -0.000 0.000 0.194 71 D C 2.304 178.713 176.300 0.182 0.000 0.990 71 D CA 0.606 54.676 54.000 0.117 0.000 0.826 71 D CB -0.350 40.484 40.800 0.056 0.000 0.971 71 D HN 0.523 nan 8.370 nan 0.000 0.453 72 I N 1.019 121.672 120.570 0.138 0.000 2.264 72 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 72 I C 2.436 178.720 176.117 0.277 0.000 1.111 72 I CA 0.724 62.142 61.300 0.196 0.000 1.382 72 I CB -0.197 37.859 38.000 0.093 0.000 1.060 72 I HN -0.025 nan 8.210 nan 0.000 0.418 73 I N 0.378 121.072 120.570 0.207 0.000 2.286 73 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 73 I C 2.509 178.816 176.117 0.316 0.000 1.115 73 I CA 1.119 62.550 61.300 0.218 0.000 1.392 73 I CB -0.376 37.754 38.000 0.216 0.000 1.065 73 I HN 0.233 nan 8.210 nan 0.000 0.418 74 E N -0.024 120.369 120.200 0.322 0.000 2.072 74 E HA -0.248 4.102 4.350 -0.000 0.000 0.191 74 E C 1.707 178.523 176.600 0.359 0.000 0.985 74 E CA 1.107 57.711 56.400 0.340 0.000 0.801 74 E CB -0.445 29.461 29.700 0.343 0.000 0.750 74 E HN 0.595 nan 8.360 nan 0.000 0.452 75 W N 1.859 123.305 121.300 0.244 0.000 2.335 75 W HA -0.142 4.518 4.660 -0.000 0.000 0.311 75 W C 2.005 178.594 176.519 0.116 0.000 1.213 75 W CA 1.501 58.994 57.345 0.246 0.000 1.274 75 W CB -0.501 29.070 29.460 0.185 0.000 1.148 75 W HN -0.060 nan 8.180 nan 0.000 0.498 76 I N -0.597 120.000 120.570 0.045 0.000 2.163 76 I HA -0.373 3.797 4.170 -0.000 0.000 0.243 76 I C 2.125 178.147 176.117 -0.160 0.000 1.085 76 I CA 1.519 62.680 61.300 -0.233 0.000 1.347 76 I CB -0.908 37.010 38.000 -0.136 0.000 1.044 76 I HN -0.058 nan 8.210 nan 0.000 0.408 77 Y N 1.091 121.384 120.300 -0.011 0.000 2.403 77 Y HA -0.206 4.343 4.550 -0.000 0.000 0.291 77 Y C 2.910 178.658 175.900 -0.253 0.000 1.143 77 Y CA 1.366 59.434 58.100 -0.053 0.000 1.257 77 Y CB -0.551 37.890 38.460 -0.032 0.000 0.984 77 Y HN 0.275 nan 8.280 nan 0.000 0.550 78 S N -1.011 114.543 115.700 -0.243 0.000 2.515 78 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 78 S C 1.518 175.882 174.600 -0.393 0.000 0.987 78 S CA 0.636 58.546 58.200 -0.484 0.000 0.936 78 S CB -0.612 62.045 63.200 -0.905 0.000 0.766 78 S HN 0.488 nan 8.310 nan 0.000 0.528 79 L N 0.552 121.556 121.223 -0.364 0.000 2.592 79 L HA 0.275 4.615 4.340 -0.000 0.000 0.227 79 L C 1.298 177.929 176.870 -0.399 0.000 1.127 79 L CA -0.015 54.632 54.840 -0.321 0.000 0.884 79 L CB -0.190 41.687 42.059 -0.304 0.000 1.065 79 L HN 0.412 nan 8.230 nan 0.000 0.457 80 Q N 1.308 120.738 119.800 -0.615 0.000 2.304 80 Q HA 0.191 4.531 4.340 -0.000 0.000 0.260 80 Q C -0.698 174.978 176.000 -0.539 0.000 0.965 80 Q CA -0.257 54.928 55.803 -1.029 0.000 0.898 80 Q CB 1.479 29.573 28.738 -1.074 0.000 1.196 80 Q HN -0.019 nan 8.270 nan 0.000 0.402 81 V N 6.983 126.620 119.914 -0.462 0.000 2.338 81 V HA 0.163 4.283 4.120 -0.000 0.000 0.255 81 V C 0.201 176.155 176.094 -0.232 0.000 1.082 81 V CA -0.160 61.978 62.300 -0.270 0.000 0.951 81 V CB -0.023 31.685 31.823 -0.191 0.000 1.102 81 V HN 0.729 nan 8.190 nan 0.000 0.489 82 L N 7.785 128.888 121.223 -0.199 0.000 2.418 82 L HA 0.457 4.797 4.340 -0.000 0.000 0.265 82 L C -1.745 175.059 176.870 -0.111 0.000 1.143 82 L CA -1.725 53.024 54.840 -0.151 0.000 0.809 82 L CB 1.079 43.055 42.059 -0.138 0.000 1.124 82 L HN 0.376 nan 8.230 nan 0.000 0.456 83 P HA 0.086 nan 4.420 nan 0.000 0.272 83 P C -0.576 176.684 177.300 -0.066 0.000 1.223 83 P CA -0.377 62.680 63.100 -0.073 0.000 0.784 83 P CB 0.691 32.353 31.700 -0.064 0.000 0.923 84 T N -2.574 111.945 114.554 -0.057 0.000 2.788 84 T HA 0.331 4.681 4.350 -0.000 0.000 0.280 84 T C 1.712 176.385 174.700 -0.046 0.000 0.984 84 T CA 0.205 62.274 62.100 -0.051 0.000 0.972 84 T CB -0.226 68.615 68.868 -0.045 0.000 1.039 84 T HN 0.445 nan 8.240 nan 0.000 0.530 85 E N 1.147 121.322 120.200 -0.042 0.000 2.065 85 E HA -0.252 4.098 4.350 -0.000 0.000 0.201 85 E C 1.505 178.084 176.600 -0.036 0.000 1.016 85 E CA 1.961 58.339 56.400 -0.038 0.000 0.818 85 E CB -1.498 28.182 29.700 -0.033 0.000 0.749 85 E HN 0.970 nan 8.360 nan 0.000 0.453 86 D N -0.341 120.038 120.400 -0.035 0.000 2.338 86 D HA -0.056 4.584 4.640 -0.000 0.000 0.239 86 D C 0.292 176.572 176.300 -0.034 0.000 1.095 86 D CA 0.370 54.350 54.000 -0.033 0.000 0.888 86 D CB -0.570 40.211 40.800 -0.031 0.000 0.899 86 D HN 0.496 nan 8.370 nan 0.000 0.525 87 R N 0.021 120.498 120.500 -0.038 0.000 3.484 87 R HA -0.187 4.153 4.340 -0.000 0.000 0.260 87 R C 0.698 176.975 176.300 -0.038 0.000 1.053 87 R CA 0.934 57.010 56.100 -0.040 0.000 0.703 87 R CB -2.671 27.607 30.300 -0.038 0.000 1.089 87 R HN 0.477 nan 8.270 nan 0.000 0.459 88 S N -0.057 115.619 115.700 -0.039 0.000 2.575 88 S HA -0.026 4.443 4.470 -0.000 0.000 0.215 88 S C 0.991 175.566 174.600 -0.041 0.000 0.966 88 S CA 0.261 58.438 58.200 -0.038 0.000 0.911 88 S CB 0.123 63.300 63.200 -0.037 0.000 0.780 88 S HN 0.542 nan 8.310 nan 0.000 0.514 89 N N 1.148 119.822 118.700 -0.044 0.000 2.416 89 N HA 0.219 4.959 4.740 -0.000 0.000 0.267 89 N C 0.780 176.261 175.510 -0.047 0.000 1.294 89 N CA -0.383 52.639 53.050 -0.047 0.000 0.891 89 N CB -0.388 38.068 38.487 -0.052 0.000 1.238 89 N HN 0.319 nan 8.380 nan 0.000 0.508 90 L N 0.181 121.378 121.223 -0.043 0.000 2.083 90 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 90 L C 0.977 177.825 176.870 -0.037 0.000 1.083 90 L CA 1.294 56.109 54.840 -0.041 0.000 0.752 90 L CB -0.198 41.839 42.059 -0.036 0.000 0.899 90 L HN 0.096 nan 8.230 nan 0.000 0.433 91 D N -0.050 120.331 120.400 -0.033 0.000 2.392 91 D HA -0.102 4.538 4.640 -0.000 0.000 0.228 91 D C 1.581 177.863 176.300 -0.030 0.000 1.003 91 D CA 0.830 54.813 54.000 -0.028 0.000 0.917 91 D CB 0.046 40.830 40.800 -0.026 0.000 0.890 91 D HN 0.346 nan 8.370 nan 0.000 0.532 92 R N -0.588 119.889 120.500 -0.038 0.000 2.543 92 R HA 0.191 4.531 4.340 -0.000 0.000 0.323 92 R C 0.022 176.291 176.300 -0.051 0.000 1.002 92 R CA -0.223 55.853 56.100 -0.041 0.000 1.106 92 R CB 0.611 30.885 30.300 -0.044 0.000 1.280 92 R HN 0.047 nan 8.270 nan 0.000 0.549 93 C N 0.401 119.669 119.300 -0.053 0.000 2.520 93 C HA 0.796 5.256 4.460 -0.000 0.000 0.376 93 C C 1.369 176.330 174.990 -0.049 0.000 1.268 93 C CA 0.054 59.029 59.018 -0.072 0.000 2.414 93 C CB 0.963 28.658 27.740 -0.074 0.000 2.521 93 C HN 0.762 nan 8.230 nan 0.000 0.618 94 G N 0.524 109.277 108.800 -0.078 0.000 2.366 94 G HA2 0.277 4.237 3.960 -0.000 0.000 0.190 94 G HA3 0.277 4.237 3.960 -0.000 0.000 0.190 94 G C -1.607 173.259 174.900 -0.057 0.000 1.299 94 G CA -0.503 44.621 45.100 0.040 0.000 1.056 94 G HN 0.430 nan 8.290 nan 0.000 0.468 95 F N 1.129 121.034 119.950 -0.075 0.000 2.593 95 F HA 0.787 5.314 4.527 -0.000 0.000 0.320 95 F C 0.853 176.608 175.800 -0.075 0.000 1.060 95 F CA -0.728 57.209 58.000 -0.105 0.000 0.940 95 F CB 2.090 41.001 39.000 -0.148 0.000 1.268 95 F HN 0.400 nan 8.300 nan 0.000 0.475 96 R N -0.077 120.455 120.500 0.053 0.000 2.573 96 R HA 0.480 4.820 4.340 -0.000 0.000 0.272 96 R C 0.983 177.305 176.300 0.035 0.000 1.009 96 R CA -0.331 55.795 56.100 0.043 0.000 1.059 96 R CB 0.731 31.014 30.300 -0.028 0.000 1.112 96 R HN 0.905 nan 8.270 nan 0.000 0.517 97 G N -0.108 108.732 108.800 0.066 0.000 2.464 97 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 97 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 97 G C 0.306 175.234 174.900 0.046 0.000 1.138 97 G CA 0.917 46.015 45.100 -0.003 0.000 0.793 97 G HN 0.630 nan 8.290 nan 0.000 0.539 98 S N -1.933 113.851 115.700 0.139 0.000 2.714 98 S HA 0.341 4.811 4.470 -0.000 0.000 0.280 98 S C 0.348 175.053 174.600 0.175 0.000 1.200 98 S CA 0.494 58.802 58.200 0.180 0.000 0.900 98 S CB 0.701 64.065 63.200 0.272 0.000 1.235 98 S HN 0.509 nan 8.310 nan 0.000 0.512 99 S N 0.250 116.060 115.700 0.184 0.000 2.622 99 S HA 0.140 4.610 4.470 -0.000 0.000 0.236 99 S C 1.294 175.932 174.600 0.063 0.000 0.956 99 S CA 0.164 58.412 58.200 0.080 0.000 0.971 99 S CB -1.301 61.980 63.200 0.136 0.000 0.782 99 S HN 1.015 nan 8.310 nan 0.000 0.468 100 Y N 0.745 121.068 120.300 0.037 0.000 2.365 100 Y HA 0.060 4.610 4.550 -0.000 0.000 0.287 100 Y C 1.434 177.347 175.900 0.022 0.000 1.162 100 Y CA 0.316 58.437 58.100 0.035 0.000 1.260 100 Y CB -0.720 37.758 38.460 0.030 0.000 0.976 100 Y HN 0.313 nan 8.280 nan 0.000 0.548 101 L N 0.512 121.349 121.223 -0.644 0.000 2.395 101 L HA 0.136 4.476 4.340 -0.000 0.000 0.218 101 L C 1.688 178.468 176.870 -0.150 0.000 1.130 101 L CA 1.026 55.584 54.840 -0.469 0.000 0.826 101 L CB -0.729 40.945 42.059 -0.643 0.000 0.941 101 L HN 0.675 nan 8.230 nan 0.000 0.451 102 G N 1.071 109.819 108.800 -0.086 0.000 2.171 102 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.238 102 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.238 102 G C 0.088 174.999 174.900 0.018 0.000 1.039 102 G CA -0.275 44.828 45.100 0.005 0.000 0.759 102 G HN 0.271 nan 8.290 nan 0.000 0.501 103 I N 2.147 122.704 120.570 -0.023 0.000 2.428 103 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 103 I C -0.971 175.159 176.117 0.023 0.000 1.019 103 I CA -2.004 59.294 61.300 -0.004 0.000 1.351 103 I CB 0.960 38.920 38.000 -0.067 0.000 1.412 103 I HN 0.018 nan 8.210 nan 0.000 0.513 104 P HA -0.107 nan 4.420 nan 0.000 0.261 104 P C -0.405 176.951 177.300 0.094 0.000 1.183 104 P CA -0.026 63.120 63.100 0.077 0.000 0.761 104 P CB 0.205 31.939 31.700 0.056 0.000 0.785 105 F N 4.062 124.017 119.950 0.009 0.000 2.514 105 F HA -0.053 4.474 4.527 -0.000 0.000 0.399 105 F C 0.469 176.272 175.800 0.006 0.000 1.011 105 F CA 0.641 58.650 58.000 0.015 0.000 1.109 105 F CB -0.219 38.807 39.000 0.043 0.000 0.980 105 F HN 0.319 nan 8.300 nan 0.000 0.538 106 N N 8.023 126.475 118.700 -0.414 0.000 2.607 106 N HA 0.317 5.057 4.740 -0.000 0.000 0.271 106 N C -2.913 172.349 175.510 -0.413 0.000 1.142 106 N CA -2.134 50.741 53.050 -0.291 0.000 0.810 106 N CB 1.292 39.691 38.487 -0.146 0.000 1.306 106 N HN 0.140 nan 8.380 nan 0.000 0.536 107 P HA 0.064 nan 4.420 nan 0.000 0.244 107 P C -0.645 176.561 177.300 -0.157 0.000 1.723 107 P CA 0.161 63.099 63.100 -0.270 0.000 1.110 107 P CB -0.441 31.188 31.700 -0.119 0.000 1.972 108 S N -0.315 115.291 115.700 -0.156 0.000 3.491 108 S HA -0.237 4.233 4.470 -0.000 0.000 0.371 108 S C 1.270 175.774 174.600 -0.159 0.000 0.980 108 S CA 1.618 59.729 58.200 -0.149 0.000 1.204 108 S CB -1.404 61.720 63.200 -0.126 0.000 0.915 108 S HN 0.798 nan 8.310 nan 0.000 0.482 109 K N 0.405 120.727 120.400 -0.129 0.000 2.530 109 K HA 0.552 4.871 4.320 -0.000 0.000 0.218 109 K C 0.839 177.389 176.600 -0.083 0.000 1.064 109 K CA 0.926 57.154 56.287 -0.098 0.000 1.084 109 K CB -1.352 31.107 32.500 -0.068 0.000 1.392 109 K HN 0.888 nan 8.250 nan 0.000 0.465 110 N N 1.225 119.884 118.700 -0.068 0.000 2.207 110 N HA 0.425 5.165 4.740 -0.000 0.000 0.223 110 N C -0.369 175.100 175.510 -0.069 0.000 1.339 110 N CA -0.105 52.911 53.050 -0.058 0.000 0.889 110 N CB -1.359 37.101 38.487 -0.045 0.000 1.128 110 N HN 0.747 nan 8.380 nan 0.000 0.456 111 P HA 0.521 nan 4.420 nan 0.000 0.327 111 P C 0.605 177.863 177.300 -0.071 0.000 1.342 111 P CA 1.241 64.303 63.100 -0.063 0.000 0.761 111 P CB -0.298 31.371 31.700 -0.052 0.000 1.675 112 G N -1.887 106.873 108.800 -0.067 0.000 2.335 112 G HA2 0.568 4.528 3.960 -0.000 0.000 0.316 112 G HA3 0.568 4.528 3.960 -0.000 0.000 0.316 112 G C 0.110 174.979 174.900 -0.051 0.000 1.129 112 G CA 0.895 45.953 45.100 -0.070 0.000 0.899 112 G HN 0.744 nan 8.290 nan 0.000 0.448 113 T N 1.051 115.577 114.554 -0.045 0.000 2.863 113 T HA 0.637 4.987 4.350 -0.000 0.000 0.299 113 T C 0.902 175.601 174.700 -0.003 0.000 0.973 113 T CA 0.207 62.294 62.100 -0.023 0.000 0.994 113 T CB -0.090 68.770 68.868 -0.014 0.000 0.961 113 T HN 1.275 nan 8.240 nan 0.000 0.552 114 A N 3.524 126.338 122.820 -0.011 0.000 2.603 114 A HA 0.402 4.722 4.320 -0.000 0.000 0.235 114 A C 0.310 177.921 177.584 0.045 0.000 1.035 114 A CA 0.361 52.397 52.037 -0.002 0.000 0.755 114 A CB -0.171 18.813 19.000 -0.027 0.000 0.954 114 A HN 0.986 nan 8.150 nan 0.000 0.511 115 H N 3.134 122.162 119.070 -0.070 0.000 3.042 115 H HA 0.329 4.885 4.556 -0.000 0.000 0.345 115 H C -2.404 172.863 175.328 -0.100 0.000 1.052 115 H CA -1.474 54.537 56.048 -0.062 0.000 1.311 115 H CB 1.814 31.547 29.762 -0.048 0.000 1.810 115 H HN 0.349 nan 8.280 nan 0.000 0.505 116 P HA -0.146 nan 4.420 nan 0.000 0.217 116 P C 0.053 177.105 177.300 -0.413 0.000 1.151 116 P CA 1.596 64.549 63.100 -0.244 0.000 0.849 116 P CB 0.106 31.602 31.700 -0.341 0.000 0.787 117 Y N -2.706 117.810 120.300 0.360 0.000 2.682 117 Y HA 0.277 4.827 4.550 -0.000 0.000 0.251 117 Y C 0.211 176.070 175.900 -0.069 0.000 1.172 117 Y CA -0.967 57.204 58.100 0.119 0.000 1.186 117 Y CB -0.022 38.514 38.460 0.125 0.000 1.216 117 Y HN -0.147 nan 8.280 nan 0.000 0.540 118 D N 1.382 121.738 120.400 -0.073 0.000 2.249 118 D HA 0.493 5.133 4.640 -0.000 0.000 0.246 118 D C -0.277 175.967 176.300 -0.093 0.000 1.114 118 D CA 0.148 54.023 54.000 -0.209 0.000 0.854 118 D CB 0.785 41.380 40.800 -0.342 0.000 1.132 118 D HN 0.151 nan 8.370 nan 0.000 0.461 119 S N 1.395 117.055 115.700 -0.067 0.000 2.615 119 S HA 0.703 5.173 4.470 -0.000 0.000 0.268 119 S C 0.141 174.733 174.600 -0.014 0.000 1.146 119 S CA -0.879 57.296 58.200 -0.042 0.000 0.818 119 S CB 0.694 63.883 63.200 -0.018 0.000 1.111 119 S HN 0.478 nan 8.310 nan 0.000 0.465 120 G N 0.075 108.867 108.800 -0.014 0.000 2.599 120 G HA2 0.475 4.435 3.960 -0.000 0.000 0.264 120 G HA3 0.475 4.435 3.960 -0.000 0.000 0.264 120 G C -0.706 174.235 174.900 0.068 0.000 1.200 120 G CA -0.236 44.882 45.100 0.030 0.000 0.896 120 G HN 0.875 nan 8.290 nan 0.000 0.536 121 H N 0.867 119.932 119.070 -0.009 0.000 2.658 121 H HA 0.218 4.774 4.556 -0.000 0.000 0.337 121 H C 1.082 176.369 175.328 -0.068 0.000 1.009 121 H CA -0.712 55.305 56.048 -0.052 0.000 1.231 121 H CB 1.765 31.511 29.762 -0.028 0.000 1.508 121 H HN 0.387 nan 8.280 nan 0.000 0.517 122 I N 4.012 124.418 120.570 -0.274 0.000 2.236 122 I HA -0.341 3.829 4.170 -0.000 0.000 0.249 122 I C 1.922 178.070 176.117 0.051 0.000 1.102 122 I CA 1.955 63.160 61.300 -0.158 0.000 1.365 122 I CB -0.053 37.754 38.000 -0.322 0.000 1.051 122 I HN 0.706 nan 8.210 nan 0.000 0.420 123 A N -0.225 122.747 122.820 0.255 0.000 2.066 123 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 123 A C 2.086 179.770 177.584 0.167 0.000 1.157 123 A CA 1.075 53.315 52.037 0.339 0.000 0.670 123 A CB -0.260 19.009 19.000 0.448 0.000 0.804 123 A HN 0.428 nan 8.150 nan 0.000 0.453 124 M N -0.977 118.718 119.600 0.159 0.000 2.357 124 M HA 0.005 4.485 4.480 -0.000 0.000 0.266 124 M C 2.002 178.254 176.300 -0.080 0.000 1.095 124 M CA 1.494 56.789 55.300 -0.009 0.000 1.156 124 M CB -1.906 30.716 32.600 0.037 0.000 1.365 124 M HN 0.309 nan 8.290 nan 0.000 0.447 125 T N 0.516 115.082 114.554 0.020 0.000 2.788 125 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 125 T C 1.693 176.279 174.700 -0.189 0.000 1.044 125 T CA 1.447 63.525 62.100 -0.036 0.000 1.139 125 T CB -0.439 68.477 68.868 0.080 0.000 0.867 125 T HN 0.359 nan 8.240 nan 0.000 0.454 126 Y N 3.011 123.187 120.300 -0.206 0.000 2.092 126 Y HA -0.194 4.356 4.550 -0.000 0.000 0.282 126 Y C 2.695 178.399 175.900 -0.328 0.000 1.126 126 Y CA 1.926 59.877 58.100 -0.249 0.000 1.111 126 Y CB -1.268 37.067 38.460 -0.209 0.000 0.987 126 Y HN 0.281 nan 8.280 nan 0.000 0.489 127 T N -1.855 112.137 114.554 -0.936 0.000 2.881 127 T HA -0.044 4.306 4.350 -0.000 0.000 0.270 127 T C 2.168 176.511 174.700 -0.596 0.000 1.068 127 T CA 1.068 62.545 62.100 -1.037 0.000 1.131 127 T CB -1.329 67.060 68.868 -0.800 0.000 0.871 127 T HN 0.458 nan 8.240 nan 0.000 0.479 128 G N 1.962 110.410 108.800 -0.586 0.000 2.434 128 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.214 128 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.214 128 G C 1.476 175.954 174.900 -0.703 0.000 1.202 128 G CA 0.667 45.328 45.100 -0.731 0.000 0.788 128 G HN 0.498 nan 8.290 nan 0.000 0.539 129 L N 0.642 121.446 121.223 -0.699 0.000 2.042 129 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 129 L C 3.112 179.827 176.870 -0.258 0.000 1.076 129 L CA 1.435 56.026 54.840 -0.415 0.000 0.749 129 L CB -0.544 41.366 42.059 -0.249 0.000 0.893 129 L HN 0.356 nan 8.230 nan 0.000 0.432 130 S N -0.933 114.599 115.700 -0.279 0.000 2.370 130 S HA -0.238 4.232 4.470 -0.000 0.000 0.226 130 S C 2.170 176.723 174.600 -0.078 0.000 1.033 130 S CA 1.707 59.813 58.200 -0.157 0.000 1.011 130 S CB -0.335 62.675 63.200 -0.317 0.000 0.852 130 S HN 0.510 nan 8.310 nan 0.000 0.457 131 C N 0.972 120.199 119.300 -0.122 0.000 2.446 131 C HA 0.079 4.539 4.460 -0.000 0.000 0.277 131 C C 2.534 177.464 174.990 -0.101 0.000 1.275 131 C CA 0.582 59.550 59.018 -0.085 0.000 1.727 131 C CB -1.561 26.127 27.740 -0.087 0.000 2.010 131 C HN 0.593 nan 8.230 nan 0.000 0.486 132 L N 0.429 121.558 121.223 -0.157 0.000 2.012 132 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 132 L C 2.392 179.232 176.870 -0.051 0.000 1.073 132 L CA 1.719 56.489 54.840 -0.118 0.000 0.748 132 L CB -0.579 41.369 42.059 -0.185 0.000 0.891 132 L HN 0.360 nan 8.230 nan 0.000 0.431 133 I N -0.223 120.313 120.570 -0.056 0.000 2.226 133 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 133 I C 2.423 178.518 176.117 -0.037 0.000 1.100 133 I CA 1.492 62.767 61.300 -0.040 0.000 1.374 133 I CB -0.272 37.699 38.000 -0.047 0.000 1.057 133 I HN 0.205 nan 8.210 nan 0.000 0.413 134 I N 0.532 121.075 120.570 -0.044 0.000 2.286 134 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 134 I C 2.168 178.260 176.117 -0.043 0.000 1.115 134 I CA 1.437 62.706 61.300 -0.052 0.000 1.392 134 I CB -0.260 37.686 38.000 -0.089 0.000 1.065 134 I HN 0.233 nan 8.210 nan 0.000 0.418 135 L N 0.262 121.465 121.223 -0.033 0.000 2.599 135 L HA 0.104 4.444 4.340 -0.000 0.000 0.230 135 L C 1.682 178.556 176.870 0.007 0.000 1.141 135 L CA 0.727 55.560 54.840 -0.012 0.000 0.877 135 L CB -0.319 41.742 42.059 0.004 0.000 1.009 135 L HN 0.537 nan 8.230 nan 0.000 0.447 136 G N -0.725 108.077 108.800 0.002 0.000 2.213 136 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.236 136 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.236 136 G C 0.277 175.197 174.900 0.033 0.000 0.991 136 G CA 0.095 45.202 45.100 0.011 0.000 0.629 136 G HN 0.370 nan 8.290 nan 0.000 0.517 137 D N 1.190 121.625 120.400 0.058 0.000 2.390 137 D HA 0.238 4.878 4.640 -0.000 0.000 0.236 137 D C 1.115 177.476 176.300 0.102 0.000 1.189 137 D CA 0.936 55.002 54.000 0.110 0.000 0.887 137 D CB 0.549 41.452 40.800 0.171 0.000 1.198 137 D HN 0.419 nan 8.370 nan 0.000 0.444 138 D N 0.589 121.075 120.400 0.144 0.000 2.395 138 D HA 0.087 4.727 4.640 -0.000 0.000 0.213 138 D C 0.903 177.373 176.300 0.282 0.000 1.110 138 D CA -0.356 53.739 54.000 0.159 0.000 0.835 138 D CB -0.021 40.866 40.800 0.145 0.000 0.965 138 D HN 0.231 nan 8.370 nan 0.000 0.505 139 L N 0.412 121.813 121.223 0.297 0.000 4.232 139 L HA -0.298 4.042 4.340 -0.000 0.000 0.415 139 L C 1.739 178.792 176.870 0.305 0.000 1.168 139 L CA 1.050 56.104 54.840 0.358 0.000 0.966 139 L CB -2.943 39.363 42.059 0.411 0.000 2.052 139 L HN 0.351 nan 8.230 nan 0.000 0.887 140 S N -1.485 114.354 115.700 0.232 0.000 2.402 140 S HA -0.089 4.381 4.470 -0.000 0.000 0.229 140 S C 1.698 176.323 174.600 0.042 0.000 1.021 140 S CA 1.101 59.371 58.200 0.116 0.000 0.974 140 S CB -0.175 63.074 63.200 0.082 0.000 0.800 140 S HN 0.639 nan 8.310 nan 0.000 0.484 141 R N 0.722 121.234 120.500 0.021 0.000 2.310 141 R HA 0.299 4.639 4.340 -0.000 0.000 0.202 141 R C -0.531 175.839 176.300 0.117 0.000 0.933 141 R CA -0.044 55.977 56.100 -0.133 0.000 1.054 141 R CB 0.116 29.978 30.300 -0.730 0.000 0.985 141 R HN 0.253 nan 8.270 nan 0.000 0.489 142 V N 2.060 122.134 119.914 0.267 0.000 2.432 142 V HA -0.004 4.116 4.120 -0.000 0.000 0.271 142 V C 0.257 176.404 176.094 0.088 0.000 1.046 142 V CA -0.552 61.910 62.300 0.271 0.000 0.945 142 V CB 1.296 33.297 31.823 0.296 0.000 0.992 142 V HN 0.117 nan 8.190 nan 0.000 0.471 143 D N 5.107 125.530 120.400 0.038 0.000 2.545 143 D HA 0.067 4.707 4.640 -0.000 0.000 0.227 143 D C 1.283 177.569 176.300 -0.025 0.000 1.150 143 D CA -0.033 53.952 54.000 -0.024 0.000 1.046 143 D CB 0.435 41.204 40.800 -0.050 0.000 1.098 143 D HN 0.545 nan 8.370 nan 0.000 0.502 144 K N 1.458 121.829 120.400 -0.048 0.000 2.059 144 K HA -0.199 4.121 4.320 -0.000 0.000 0.212 144 K C 1.588 178.146 176.600 -0.070 0.000 1.050 144 K CA 0.989 57.233 56.287 -0.071 0.000 0.927 144 K CB 0.204 32.603 32.500 -0.169 0.000 0.714 144 K HN 0.319 nan 8.250 nan 0.000 0.447 145 E N 0.502 120.655 120.200 -0.079 0.000 2.110 145 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 145 E C 2.103 178.675 176.600 -0.047 0.000 0.988 145 E CA 1.205 57.566 56.400 -0.065 0.000 0.804 145 E CB -0.166 29.495 29.700 -0.066 0.000 0.745 145 E HN 0.368 nan 8.360 nan 0.000 0.458 146 A N 0.714 123.506 122.820 -0.046 0.000 1.898 146 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 146 A C 2.650 180.216 177.584 -0.030 0.000 1.181 146 A CA 1.374 53.386 52.037 -0.043 0.000 0.620 146 A CB -0.909 18.058 19.000 -0.055 0.000 0.819 146 A HN 0.339 nan 8.150 nan 0.000 0.442 147 C N -0.666 118.624 119.300 -0.017 0.000 2.413 147 C HA -0.088 4.372 4.460 -0.000 0.000 0.276 147 C C 2.653 177.638 174.990 -0.008 0.000 1.236 147 C CA 1.101 60.123 59.018 0.007 0.000 1.735 147 C CB -1.556 26.213 27.740 0.047 0.000 2.031 147 C HN 0.628 nan 8.230 nan 0.000 0.474 148 L N 1.001 122.210 121.223 -0.023 0.000 2.083 148 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 148 L C 2.858 179.725 176.870 -0.006 0.000 1.083 148 L CA 1.559 56.385 54.840 -0.025 0.000 0.752 148 L CB -0.758 41.278 42.059 -0.040 0.000 0.899 148 L HN 0.355 nan 8.230 nan 0.000 0.433 149 A N 0.311 123.123 122.820 -0.013 0.000 1.902 149 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 149 A C 2.416 179.998 177.584 -0.003 0.000 1.181 149 A CA 1.674 53.706 52.037 -0.010 0.000 0.623 149 A CB -1.175 17.812 19.000 -0.021 0.000 0.818 149 A HN 0.432 nan 8.150 nan 0.000 0.443 150 G N -0.441 108.355 108.800 -0.007 0.000 2.402 150 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 150 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 150 G C 1.583 176.493 174.900 0.018 0.000 1.162 150 G CA 0.884 45.982 45.100 -0.004 0.000 0.777 150 G HN 0.403 nan 8.290 nan 0.000 0.539 151 L N -0.123 121.117 121.223 0.028 0.000 1.989 151 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 151 L C 3.254 180.224 176.870 0.166 0.000 1.071 151 L CA 1.325 56.211 54.840 0.076 0.000 0.749 151 L CB -0.276 41.802 42.059 0.031 0.000 0.890 151 L HN 0.200 nan 8.230 nan 0.000 0.431 152 R N -0.525 120.041 120.500 0.110 0.000 2.103 152 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 152 R C 2.169 178.489 176.300 0.035 0.000 1.142 152 R CA 1.459 57.612 56.100 0.088 0.000 0.960 152 R CB -0.532 29.794 30.300 0.043 0.000 0.858 152 R HN 0.445 nan 8.270 nan 0.000 0.439 153 A N 0.832 123.665 122.820 0.023 0.000 2.070 153 A HA -0.092 4.227 4.320 -0.000 0.000 0.220 153 A C 2.030 179.606 177.584 -0.014 0.000 1.159 153 A CA 1.053 53.087 52.037 -0.006 0.000 0.656 153 A CB -0.314 18.681 19.000 -0.009 0.000 0.800 153 A HN 0.203 nan 8.150 nan 0.000 0.453 154 L N -1.094 120.149 121.223 0.034 0.000 2.418 154 L HA 0.030 4.370 4.340 -0.000 0.000 0.218 154 L C 1.438 178.254 176.870 -0.090 0.000 1.125 154 L CA 0.049 54.915 54.840 0.044 0.000 0.835 154 L CB -0.225 41.932 42.059 0.164 0.000 0.953 154 L HN 0.501 nan 8.230 nan 0.000 0.454 155 Q N 1.358 120.966 119.800 -0.320 0.000 2.332 155 Q HA 0.293 4.633 4.340 -0.000 0.000 0.263 155 Q C -0.511 175.238 176.000 -0.419 0.000 0.979 155 Q CA -0.072 55.232 55.803 -0.832 0.000 0.885 155 Q CB 0.902 29.038 28.738 -1.003 0.000 1.218 155 Q HN 0.232 nan 8.270 nan 0.000 0.405 156 L N 1.668 122.655 121.223 -0.392 0.000 2.472 156 L HA 0.190 4.530 4.340 -0.000 0.000 0.256 156 L C 1.541 178.307 176.870 -0.172 0.000 1.111 156 L CA -0.513 54.201 54.840 -0.211 0.000 0.800 156 L CB 0.632 42.599 42.059 -0.154 0.000 1.286 156 L HN 0.658 nan 8.230 nan 0.000 0.479 157 E N 0.518 120.660 120.200 -0.097 0.000 2.077 157 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 157 E C 1.283 177.858 176.600 -0.042 0.000 0.989 157 E CA 1.622 57.985 56.400 -0.061 0.000 0.800 157 E CB -0.375 29.306 29.700 -0.032 0.000 0.746 157 E HN 0.879 nan 8.360 nan 0.000 0.452 158 D N -1.577 118.811 120.400 -0.021 0.000 2.378 158 D HA 0.099 4.739 4.640 -0.000 0.000 0.227 158 D C 1.430 177.771 176.300 0.068 0.000 1.012 158 D CA 1.151 55.185 54.000 0.058 0.000 0.905 158 D CB -0.220 40.666 40.800 0.143 0.000 0.895 158 D HN 0.530 nan 8.370 nan 0.000 0.532 159 G N -0.241 108.511 108.800 -0.080 0.000 2.241 159 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 159 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 159 G C 0.556 175.280 174.900 -0.292 0.000 0.998 159 G CA 0.499 45.531 45.100 -0.113 0.000 0.621 159 G HN 0.835 nan 8.290 nan 0.000 0.519 160 S N -0.203 115.192 115.700 -0.509 0.000 2.652 160 S HA 0.816 5.286 4.470 -0.000 0.000 0.267 160 S C -0.151 174.205 174.600 -0.407 0.000 1.201 160 S CA -0.284 57.541 58.200 -0.624 0.000 0.996 160 S CB 1.223 63.734 63.200 -1.148 0.000 1.054 160 S HN 0.571 nan 8.310 nan 0.000 0.561 161 F N -1.391 118.475 119.950 -0.140 0.000 2.593 161 F HA 0.595 5.122 4.527 -0.000 0.000 0.320 161 F C 0.313 176.168 175.800 0.093 0.000 1.060 161 F CA -1.052 56.939 58.000 -0.015 0.000 0.940 161 F CB 1.443 40.455 39.000 0.021 0.000 1.268 161 F HN 0.663 nan 8.300 nan 0.000 0.475 162 C N 0.447 119.854 119.300 0.179 0.000 2.345 162 C HA 0.701 5.161 4.460 -0.000 0.000 0.370 162 C C 1.474 176.267 174.990 -0.327 0.000 1.209 162 C CA -0.025 59.016 59.018 0.039 0.000 2.133 162 C CB 1.360 29.089 27.740 -0.018 0.000 2.293 162 C HN 0.976 nan 8.230 nan 0.000 0.544 163 A N 0.380 122.786 122.820 -0.691 0.000 1.997 163 A HA 0.382 4.702 4.320 -0.000 0.000 0.212 163 A C 0.596 177.769 177.584 -0.686 0.000 1.178 163 A CA 1.189 52.532 52.037 -1.157 0.000 0.698 163 A CB -0.179 17.867 19.000 -1.590 0.000 0.842 163 A HN 1.266 nan 8.150 nan 0.000 0.458 164 V N -4.905 114.792 119.914 -0.362 0.000 3.007 164 V HA 0.509 4.629 4.120 -0.000 0.000 0.311 164 V C -2.358 173.686 176.094 -0.084 0.000 1.120 164 V CA -1.588 60.607 62.300 -0.174 0.000 0.980 164 V CB 1.821 33.601 31.823 -0.072 0.000 1.033 164 V HN 0.066 nan 8.190 nan 0.000 0.429 165 P HA -0.112 nan 4.420 nan 0.000 0.219 165 P C 0.962 178.259 177.300 -0.005 0.000 1.146 165 P CA 1.395 64.480 63.100 -0.026 0.000 0.808 165 P CB 0.425 32.112 31.700 -0.023 0.000 0.779 166 E N -0.175 120.035 120.200 0.017 0.000 2.409 166 E HA 0.204 4.554 4.350 -0.000 0.000 0.198 166 E C 1.098 177.721 176.600 0.039 0.000 1.024 166 E CA 0.924 57.351 56.400 0.046 0.000 0.861 166 E CB -0.630 29.127 29.700 0.095 0.000 0.788 166 E HN 0.380 nan 8.360 nan 0.000 0.521 167 G N -0.597 108.214 108.800 0.018 0.000 2.640 167 G HA2 0.240 4.200 3.960 -0.000 0.000 0.686 167 G HA3 0.240 4.200 3.960 -0.000 0.000 0.686 167 G C -0.364 174.554 174.900 0.029 0.000 1.229 167 G CA -0.502 44.611 45.100 0.021 0.000 0.796 167 G HN 0.624 nan 8.290 nan 0.000 0.654 168 S N -0.496 115.228 115.700 0.041 0.000 2.660 168 S HA 0.716 5.186 4.470 -0.000 0.000 0.264 168 S C -0.472 174.195 174.600 0.112 0.000 1.131 168 S CA 0.118 58.363 58.200 0.076 0.000 0.846 168 S CB 1.335 64.570 63.200 0.059 0.000 1.151 168 S HN 2.088 nan 8.310 nan 0.000 0.486 169 E N 1.367 121.667 120.200 0.167 0.000 2.392 169 E HA 0.305 4.655 4.350 -0.000 0.000 0.256 169 E C -0.834 175.909 176.600 0.239 0.000 1.145 169 E CA -0.424 56.074 56.400 0.162 0.000 0.929 169 E CB 0.116 29.900 29.700 0.141 0.000 0.998 169 E HN 0.754 nan 8.360 nan 0.000 0.442 170 N N 0.760 119.553 118.700 0.156 0.000 2.295 170 N HA 0.369 5.109 4.740 -0.000 0.000 0.293 170 N C -1.413 174.126 175.510 0.048 0.000 1.040 170 N CA -0.548 52.600 53.050 0.163 0.000 0.840 170 N CB 2.035 40.568 38.487 0.076 0.000 1.468 170 N HN 0.620 nan 8.380 nan 0.000 0.478 171 D N 0.032 120.413 120.400 -0.033 0.000 2.792 171 D HA 0.139 4.779 4.640 -0.000 0.000 0.335 171 D C 0.657 176.923 176.300 -0.057 0.000 1.353 171 D CA -0.671 53.305 54.000 -0.041 0.000 0.839 171 D CB 0.490 41.236 40.800 -0.090 0.000 1.396 171 D HN 0.195 nan 8.370 nan 0.000 0.479 172 M N 0.101 119.750 119.600 0.082 0.000 2.195 172 M HA 0.012 4.492 4.480 -0.000 0.000 0.260 172 M C 1.820 178.122 176.300 0.003 0.000 1.066 172 M CA 1.804 57.172 55.300 0.113 0.000 1.089 172 M CB -0.396 32.267 32.600 0.105 0.000 1.377 172 M HN 0.467 nan 8.290 nan 0.000 0.411 173 R N -1.305 119.093 120.500 -0.171 0.000 2.096 173 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 173 R C 2.063 178.373 176.300 0.017 0.000 1.139 173 R CA 2.085 58.082 56.100 -0.172 0.000 0.952 173 R CB -0.736 29.295 30.300 -0.448 0.000 0.854 173 R HN 0.435 nan 8.270 nan 0.000 0.436 174 F N -0.417 119.574 119.950 0.067 0.000 2.456 174 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 174 F C 2.228 177.960 175.800 -0.113 0.000 1.104 174 F CA -0.147 57.852 58.000 -0.002 0.000 1.435 174 F CB 0.032 39.053 39.000 0.034 0.000 1.078 174 F HN -0.164 nan 8.300 nan 0.000 0.546 175 V N -0.404 119.592 119.914 0.137 0.000 2.427 175 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 175 V C 2.031 178.118 176.094 -0.012 0.000 1.051 175 V CA 1.713 64.056 62.300 0.071 0.000 1.048 175 V CB -0.721 31.220 31.823 0.197 0.000 0.666 175 V HN 0.385 nan 8.190 nan 0.000 0.456 176 Y N 0.208 120.471 120.300 -0.062 0.000 2.242 176 Y HA -0.255 4.295 4.550 -0.000 0.000 0.291 176 Y C 2.511 178.275 175.900 -0.226 0.000 1.137 176 Y CA 1.622 59.659 58.100 -0.105 0.000 1.181 176 Y CB -0.682 37.747 38.460 -0.051 0.000 0.989 176 Y HN 0.242 nan 8.280 nan 0.000 0.527 177 C N 0.282 119.406 119.300 -0.294 0.000 2.432 177 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 177 C C 3.079 177.789 174.990 -0.467 0.000 1.249 177 C CA 1.226 59.966 59.018 -0.463 0.000 1.725 177 C CB -1.727 25.959 27.740 -0.090 0.000 2.028 177 C HN 0.735 nan 8.230 nan 0.000 0.477 178 A N 0.419 122.935 122.820 -0.507 0.000 1.883 178 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 178 A C 2.262 179.590 177.584 -0.426 0.000 1.186 178 A CA 2.400 54.061 52.037 -0.627 0.000 0.624 178 A CB -0.869 17.297 19.000 -1.389 0.000 0.822 178 A HN 0.561 nan 8.150 nan 0.000 0.444 179 S N -0.894 114.616 115.700 -0.316 0.000 2.359 179 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 179 S C 1.958 176.387 174.600 -0.285 0.000 1.035 179 S CA 1.493 59.622 58.200 -0.119 0.000 1.018 179 S CB -0.744 62.489 63.200 0.056 0.000 0.876 179 S HN 0.718 nan 8.310 nan 0.000 0.448 180 C N 1.255 120.274 119.300 -0.468 0.000 2.425 180 C HA 0.017 4.477 4.460 -0.000 0.000 0.277 180 C C 2.443 177.319 174.990 -0.188 0.000 1.280 180 C CA 0.249 59.037 59.018 -0.383 0.000 1.744 180 C CB -1.382 25.927 27.740 -0.718 0.000 1.989 180 C HN 0.546 nan 8.230 nan 0.000 0.491 181 I N -0.028 120.397 120.570 -0.243 0.000 2.142 181 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 181 I C 2.605 178.567 176.117 -0.258 0.000 1.078 181 I CA 1.470 62.669 61.300 -0.170 0.000 1.343 181 I CB -0.576 37.324 38.000 -0.167 0.000 1.046 181 I HN 0.352 nan 8.210 nan 0.000 0.405 182 C N -0.164 118.848 119.300 -0.479 0.000 2.413 182 C HA -0.238 4.222 4.460 -0.000 0.000 0.277 182 C C 2.810 177.274 174.990 -0.877 0.000 1.265 182 C CA 0.818 59.347 59.018 -0.814 0.000 1.752 182 C CB -1.038 25.875 27.740 -1.378 0.000 1.998 182 C HN 0.511 nan 8.230 nan 0.000 0.489 183 Y N 0.954 120.788 120.300 -0.777 0.000 2.145 183 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 183 Y C 2.488 178.385 175.900 -0.005 0.000 1.145 183 Y CA 1.805 59.746 58.100 -0.264 0.000 1.148 183 Y CB -0.388 38.061 38.460 -0.019 0.000 0.981 183 Y HN 0.238 nan 8.280 nan 0.000 0.507 184 M N -0.593 119.090 119.600 0.138 0.000 2.132 184 M HA -0.192 4.287 4.480 -0.000 0.000 0.263 184 M C 1.731 178.209 176.300 0.297 0.000 1.065 184 M CA 1.469 56.888 55.300 0.198 0.000 1.122 184 M CB -0.309 32.372 32.600 0.135 0.000 1.365 184 M HN 0.247 nan 8.290 nan 0.000 0.411 185 L N -0.081 121.219 121.223 0.128 0.000 2.599 185 L HA 0.016 4.356 4.340 -0.000 0.000 0.230 185 L C 0.314 177.234 176.870 0.084 0.000 1.141 185 L CA -0.159 54.790 54.840 0.180 0.000 0.877 185 L CB -0.941 41.113 42.059 -0.009 0.000 1.009 185 L HN 0.433 nan 8.230 nan 0.000 0.447 186 N N 2.087 120.715 118.700 -0.119 0.000 2.707 186 N HA -0.264 4.476 4.740 -0.000 0.000 0.253 186 N C -0.420 174.974 175.510 -0.193 0.000 0.998 186 N CA 0.442 53.277 53.050 -0.357 0.000 0.751 186 N CB -0.766 37.218 38.487 -0.838 0.000 0.920 186 N HN 0.476 nan 8.380 nan 0.000 0.539 187 N N -0.070 118.474 118.700 -0.260 0.000 2.578 187 N HA 0.138 4.878 4.740 -0.000 0.000 0.282 187 N C -0.872 174.486 175.510 -0.253 0.000 1.119 187 N CA -0.537 52.426 53.050 -0.145 0.000 0.948 187 N CB 0.166 38.585 38.487 -0.114 0.000 1.546 187 N HN 0.244 nan 8.380 nan 0.000 0.525 188 W N 2.105 123.405 121.300 0.001 0.000 3.400 188 W HA 0.179 4.839 4.660 -0.000 0.000 0.347 188 W C 1.837 178.372 176.519 0.025 0.000 1.218 188 W CA -0.187 57.171 57.345 0.022 0.000 1.837 188 W CB 0.136 29.615 29.460 0.031 0.000 1.067 188 W HN 0.654 nan 8.180 nan 0.000 0.701 189 S N -1.386 114.388 115.700 0.123 0.000 2.555 189 S HA 0.003 4.473 4.470 -0.000 0.000 0.230 189 S C 1.950 176.596 174.600 0.076 0.000 0.978 189 S CA 0.838 59.093 58.200 0.092 0.000 0.934 189 S CB -0.385 62.840 63.200 0.042 0.000 0.766 189 S HN 0.266 nan 8.310 nan 0.000 0.533 190 G N 1.421 110.253 108.800 0.053 0.000 2.598 190 G HA2 0.296 4.256 3.960 -0.000 0.000 0.215 190 G HA3 0.296 4.256 3.960 -0.000 0.000 0.215 190 G C 0.383 175.379 174.900 0.159 0.000 1.131 190 G CA 0.570 45.702 45.100 0.053 0.000 0.785 190 G HN 0.746 nan 8.290 nan 0.000 0.539 191 M N -2.234 117.495 119.600 0.216 0.000 2.644 191 M HA 0.487 4.967 4.480 -0.000 0.000 0.273 191 M C -2.118 174.313 176.300 0.218 0.000 1.253 191 M CA -1.035 54.447 55.300 0.303 0.000 0.852 191 M CB 2.174 35.066 32.600 0.487 0.000 1.708 191 M HN -0.176 nan 8.290 nan 0.000 0.471 192 D N 2.273 122.765 120.400 0.153 0.000 2.494 192 D HA 0.236 4.876 4.640 -0.000 0.000 0.217 192 D C 0.723 177.089 176.300 0.110 0.000 1.153 192 D CA -0.161 53.893 54.000 0.090 0.000 0.954 192 D CB 0.786 41.601 40.800 0.025 0.000 1.034 192 D HN 0.850 nan 8.370 nan 0.000 0.518 193 M N 3.104 122.782 119.600 0.130 0.000 2.143 193 M HA -0.242 4.238 4.480 -0.000 0.000 0.258 193 M C 1.841 178.168 176.300 0.044 0.000 1.071 193 M CA 1.588 56.948 55.300 0.099 0.000 1.088 193 M CB 0.138 32.755 32.600 0.028 0.000 1.360 193 M HN 0.249 nan 8.290 nan 0.000 0.404 194 K N 0.116 120.530 120.400 0.024 0.000 2.057 194 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 194 K C 1.811 178.421 176.600 0.016 0.000 1.049 194 K CA 1.614 57.904 56.287 0.003 0.000 0.931 194 K CB -0.010 32.488 32.500 -0.003 0.000 0.714 194 K HN 0.361 nan 8.250 nan 0.000 0.440 195 K N -0.158 120.259 120.400 0.028 0.000 2.155 195 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 195 K C 2.103 178.748 176.600 0.075 0.000 1.052 195 K CA 0.945 57.251 56.287 0.032 0.000 0.948 195 K CB -0.030 32.470 32.500 -0.001 0.000 0.728 195 K HN 0.198 nan 8.250 nan 0.000 0.448 196 A N 1.555 124.437 122.820 0.103 0.000 1.902 196 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 196 A C 2.080 179.761 177.584 0.161 0.000 1.181 196 A CA 1.223 53.367 52.037 0.180 0.000 0.623 196 A CB -0.544 18.610 19.000 0.257 0.000 0.818 196 A HN 0.158 nan 8.150 nan 0.000 0.443 197 I N -0.564 120.051 120.570 0.075 0.000 2.226 197 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 197 I C 2.844 178.957 176.117 -0.008 0.000 1.100 197 I CA 1.504 62.805 61.300 0.001 0.000 1.374 197 I CB -0.250 37.714 38.000 -0.060 0.000 1.057 197 I HN 0.435 nan 8.210 nan 0.000 0.413 198 S N 0.162 115.874 115.700 0.020 0.000 2.370 198 S HA -0.283 4.187 4.470 -0.000 0.000 0.226 198 S C 2.179 176.802 174.600 0.038 0.000 1.033 198 S CA 1.458 59.666 58.200 0.012 0.000 1.011 198 S CB -0.457 62.759 63.200 0.026 0.000 0.852 198 S HN 0.495 nan 8.310 nan 0.000 0.457 199 Y N 1.862 122.160 120.300 -0.004 0.000 2.145 199 Y HA -0.059 4.491 4.550 -0.000 0.000 0.286 199 Y C 1.947 177.856 175.900 0.015 0.000 1.145 199 Y CA 1.877 59.983 58.100 0.011 0.000 1.148 199 Y CB -0.384 38.097 38.460 0.035 0.000 0.981 199 Y HN 0.307 nan 8.280 nan 0.000 0.507 200 I N -0.284 120.347 120.570 0.102 0.000 2.226 200 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 200 I C 2.557 178.664 176.117 -0.016 0.000 1.100 200 I CA 1.460 62.784 61.300 0.041 0.000 1.374 200 I CB -0.491 37.554 38.000 0.074 0.000 1.057 200 I HN 0.176 nan 8.210 nan 0.000 0.413 201 R N 0.725 121.188 120.500 -0.061 0.000 2.073 201 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 201 R C 2.388 178.673 176.300 -0.024 0.000 1.134 201 R CA 1.293 57.377 56.100 -0.028 0.000 0.952 201 R CB -0.295 29.945 30.300 -0.100 0.000 0.850 201 R HN 0.312 nan 8.270 nan 0.000 0.433 202 R N 0.438 120.875 120.500 -0.105 0.000 2.293 202 R HA -0.071 4.269 4.340 -0.000 0.000 0.219 202 R C 2.050 178.235 176.300 -0.192 0.000 1.091 202 R CA 1.397 57.414 56.100 -0.138 0.000 1.004 202 R CB -0.054 30.147 30.300 -0.165 0.000 0.865 202 R HN 0.255 nan 8.270 nan 0.000 0.469 203 S N -0.474 115.087 115.700 -0.232 0.000 2.548 203 S HA 0.024 4.494 4.470 -0.000 0.000 0.215 203 S C 0.844 175.346 174.600 -0.163 0.000 0.976 203 S CA -0.343 57.715 58.200 -0.237 0.000 0.908 203 S CB 0.043 63.073 63.200 -0.284 0.000 0.781 203 S HN 0.180 nan 8.310 nan 0.000 0.519 204 M N 3.093 122.629 119.600 -0.108 0.000 2.246 204 M HA 0.263 4.743 4.480 -0.000 0.000 0.350 204 M C 0.322 176.530 176.300 -0.153 0.000 1.406 204 M CA -0.014 55.202 55.300 -0.140 0.000 1.089 204 M CB 0.849 33.411 32.600 -0.064 0.000 1.782 204 M HN 0.318 nan 8.290 nan 0.000 0.457 205 S N 3.453 119.006 115.700 -0.244 0.000 2.681 205 S HA 0.207 4.677 4.470 -0.000 0.000 0.270 205 S C 0.727 175.202 174.600 -0.208 0.000 1.209 205 S CA -0.444 57.613 58.200 -0.239 0.000 0.988 205 S CB 0.511 63.467 63.200 -0.406 0.000 1.006 205 S HN 0.752 nan 8.310 nan 0.000 0.558 206 Y N 0.685 120.946 120.300 -0.064 0.000 2.421 206 Y HA 0.064 4.614 4.550 -0.000 0.000 0.292 206 Y C 1.494 177.382 175.900 -0.020 0.000 1.136 206 Y CA 1.299 59.378 58.100 -0.035 0.000 1.255 206 Y CB -0.731 37.718 38.460 -0.018 0.000 0.991 206 Y HN 0.637 nan 8.280 nan 0.000 0.552 207 D N -1.063 118.902 120.400 -0.725 0.000 2.340 207 D HA -0.048 4.592 4.640 -0.000 0.000 0.220 207 D C 0.195 176.395 176.300 -0.166 0.000 1.039 207 D CA 0.462 54.255 54.000 -0.345 0.000 0.866 207 D CB -0.633 39.944 40.800 -0.371 0.000 0.913 207 D HN 0.459 nan 8.370 nan 0.000 0.523 208 N N -1.074 117.460 118.700 -0.277 0.000 2.984 208 N HA -0.098 4.642 4.740 -0.000 0.000 0.227 208 N C 0.704 175.911 175.510 -0.505 0.000 0.903 208 N CA 1.177 54.063 53.050 -0.273 0.000 0.995 208 N CB -1.572 36.856 38.487 -0.099 0.000 1.065 208 N HN 0.487 nan 8.380 nan 0.000 0.585 209 G N 0.008 108.205 108.800 -1.005 0.000 2.557 209 G HA2 0.600 4.560 3.960 -0.000 0.000 0.292 209 G HA3 0.600 4.560 3.960 -0.000 0.000 0.292 209 G C -0.253 174.140 174.900 -0.845 0.000 1.237 209 G CA -0.349 43.836 45.100 -1.525 0.000 0.978 209 G HN 0.029 nan 8.290 nan 0.000 0.498 210 L N 0.190 120.992 121.223 -0.700 0.000 2.317 210 L HA 0.704 5.044 4.340 -0.000 0.000 0.281 210 L C 0.756 177.438 176.870 -0.314 0.000 1.024 210 L CA -0.602 54.011 54.840 -0.379 0.000 0.810 210 L CB 1.264 43.186 42.059 -0.228 0.000 1.240 210 L HN 0.715 nan 8.230 nan 0.000 0.427 211 A N 1.848 124.536 122.820 -0.220 0.000 2.284 211 A HA 0.522 4.841 4.320 -0.000 0.000 0.317 211 A C 0.716 178.242 177.584 -0.096 0.000 1.120 211 A CA -0.344 51.605 52.037 -0.146 0.000 0.900 211 A CB 0.682 19.604 19.000 -0.131 0.000 1.319 211 A HN 0.682 nan 8.150 nan 0.000 0.494 212 Q N -0.623 119.136 119.800 -0.070 0.000 2.291 212 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 212 Q C 0.720 176.748 176.000 0.048 0.000 0.970 212 Q CA 1.362 57.148 55.803 -0.029 0.000 0.876 212 Q CB 0.018 28.718 28.738 -0.063 0.000 0.935 212 Q HN 0.916 nan 8.270 nan 0.000 0.455 213 G N -1.447 107.333 108.800 -0.032 0.000 2.523 213 G HA2 0.505 4.465 3.960 -0.000 0.000 0.291 213 G HA3 0.505 4.465 3.960 -0.000 0.000 0.291 213 G C -1.552 173.259 174.900 -0.147 0.000 1.450 213 G CA -0.394 44.654 45.100 -0.086 0.000 0.790 213 G HN 0.130 nan 8.290 nan 0.000 0.496 214 A N -0.725 121.974 122.820 -0.202 0.000 2.567 214 A HA 0.521 4.841 4.320 -0.000 0.000 0.240 214 A C 1.768 179.316 177.584 -0.059 0.000 1.053 214 A CA 1.847 53.803 52.037 -0.134 0.000 0.755 214 A CB -0.338 18.590 19.000 -0.120 0.000 0.978 214 A HN 2.859 nan 8.150 nan 0.000 0.507 215 G N 0.935 109.711 108.800 -0.040 0.000 2.284 215 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.247 215 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.247 215 G C 0.179 175.084 174.900 0.007 0.000 1.012 215 G CA 0.354 45.453 45.100 -0.002 0.000 0.618 215 G HN 0.792 nan 8.290 nan 0.000 0.521 216 L N 1.424 122.636 121.223 -0.018 0.000 2.472 216 L HA 0.468 4.808 4.340 -0.000 0.000 0.260 216 L C 1.069 177.926 176.870 -0.022 0.000 1.209 216 L CA -0.541 54.291 54.840 -0.013 0.000 0.817 216 L CB 0.602 42.645 42.059 -0.026 0.000 1.106 216 L HN 0.493 nan 8.230 nan 0.000 0.479 217 E N 0.480 120.678 120.200 -0.003 0.000 2.366 217 E HA 0.093 4.443 4.350 -0.000 0.000 0.266 217 E C -0.295 176.279 176.600 -0.043 0.000 1.015 217 E CA -0.395 56.004 56.400 -0.002 0.000 0.906 217 E CB 0.639 30.364 29.700 0.042 0.000 0.979 217 E HN 0.634 nan 8.360 nan 0.000 0.443 218 S N 4.567 120.185 115.700 -0.137 0.000 2.568 218 S HA 0.038 4.508 4.470 -0.000 0.000 0.282 218 S C -0.168 174.395 174.600 -0.061 0.000 1.338 218 S CA -0.429 57.605 58.200 -0.276 0.000 1.045 218 S CB 0.860 63.656 63.200 -0.673 0.000 0.873 218 S HN 0.682 nan 8.310 nan 0.000 0.516 219 H N 0.468 119.412 119.070 -0.211 0.000 3.012 219 H HA 0.366 4.922 4.556 -0.000 0.000 0.367 219 H C 1.154 176.522 175.328 0.067 0.000 1.211 219 H CA -0.046 56.004 56.048 0.004 0.000 1.139 219 H CB 1.585 31.321 29.762 -0.044 0.000 1.838 219 H HN 0.719 nan 8.280 nan 0.000 0.550 220 G N 1.476 110.120 108.800 -0.259 0.000 2.440 220 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 220 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 220 G C 1.445 176.403 174.900 0.098 0.000 1.154 220 G CA 0.872 45.978 45.100 0.010 0.000 0.767 220 G HN 0.652 nan 8.290 nan 0.000 0.552 221 G N 0.879 109.763 108.800 0.140 0.000 2.404 221 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 221 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 221 G C 2.229 177.070 174.900 -0.099 0.000 1.174 221 G CA 1.840 46.809 45.100 -0.218 0.000 0.780 221 G HN 0.669 nan 8.290 nan 0.000 0.537 222 S N -0.048 115.666 115.700 0.024 0.000 2.406 222 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 222 S C 2.209 176.783 174.600 -0.044 0.000 1.020 222 S CA 1.816 59.992 58.200 -0.040 0.000 0.965 222 S CB -0.590 62.581 63.200 -0.050 0.000 0.798 222 S HN 0.243 nan 8.310 nan 0.000 0.488 223 T N 1.959 116.488 114.554 -0.040 0.000 2.777 223 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 223 T C 1.253 175.947 174.700 -0.010 0.000 1.040 223 T CA 1.357 63.414 62.100 -0.072 0.000 1.141 223 T CB -0.532 68.278 68.868 -0.097 0.000 0.868 223 T HN 0.500 nan 8.240 nan 0.000 0.444 224 F N 1.537 121.454 119.950 -0.055 0.000 2.102 224 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 224 F C 2.418 178.154 175.800 -0.107 0.000 1.105 224 F CA 0.734 58.701 58.000 -0.056 0.000 1.239 224 F CB -0.886 38.122 39.000 0.014 0.000 0.991 224 F HN 0.151 nan 8.300 nan 0.000 0.474 225 C N 1.013 120.155 119.300 -0.264 0.000 2.413 225 C HA -0.116 4.344 4.460 -0.000 0.000 0.276 225 C C 3.100 177.992 174.990 -0.163 0.000 1.248 225 C CA 1.282 60.102 59.018 -0.330 0.000 1.742 225 C CB -1.981 25.708 27.740 -0.086 0.000 2.017 225 C HN 0.750 nan 8.230 nan 0.000 0.481 226 G N 0.632 109.382 108.800 -0.083 0.000 2.434 226 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.214 226 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.214 226 G C 1.381 176.278 174.900 -0.005 0.000 1.202 226 G CA 0.761 45.865 45.100 0.007 0.000 0.788 226 G HN 0.349 nan 8.290 nan 0.000 0.539 227 I N 2.107 122.644 120.570 -0.056 0.000 2.163 227 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 227 I C 3.299 179.358 176.117 -0.095 0.000 1.085 227 I CA 1.304 62.586 61.300 -0.031 0.000 1.347 227 I CB -1.413 36.560 38.000 -0.045 0.000 1.044 227 I HN 0.264 nan 8.210 nan 0.000 0.408 228 A N 0.233 122.873 122.820 -0.301 0.000 1.940 228 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 228 A C 2.602 180.181 177.584 -0.007 0.000 1.176 228 A CA 2.152 54.035 52.037 -0.257 0.000 0.631 228 A CB -0.768 17.794 19.000 -0.730 0.000 0.814 228 A HN 0.432 nan 8.150 nan 0.000 0.446 229 S N -0.154 115.574 115.700 0.048 0.000 2.356 229 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 229 S C 1.840 176.488 174.600 0.080 0.000 1.032 229 S CA 1.470 59.744 58.200 0.123 0.000 1.005 229 S CB -0.467 62.818 63.200 0.141 0.000 0.867 229 S HN 0.522 nan 8.310 nan 0.000 0.449 230 L N 0.710 121.957 121.223 0.040 0.000 2.046 230 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 230 L C 2.610 179.484 176.870 0.007 0.000 1.077 230 L CA 0.936 55.779 54.840 0.005 0.000 0.747 230 L CB -0.777 41.289 42.059 0.012 0.000 0.896 230 L HN 0.432 nan 8.230 nan 0.000 0.432 231 C N -0.542 118.776 119.300 0.030 0.000 2.432 231 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 231 C C 2.649 177.678 174.990 0.065 0.000 1.249 231 C CA 0.167 59.212 59.018 0.044 0.000 1.725 231 C CB -0.780 26.989 27.740 0.048 0.000 2.028 231 C HN 0.397 nan 8.230 nan 0.000 0.477 232 L N 0.429 121.696 121.223 0.074 0.000 2.127 232 L HA -0.101 4.238 4.340 -0.000 0.000 0.211 232 L C 2.325 179.352 176.870 0.262 0.000 1.089 232 L CA 1.833 56.752 54.840 0.132 0.000 0.757 232 L CB -0.693 41.453 42.059 0.144 0.000 0.899 232 L HN 0.396 nan 8.230 nan 0.000 0.434 233 M N -1.661 117.930 119.600 -0.015 0.000 2.556 233 M HA 0.236 4.716 4.480 -0.000 0.000 0.245 233 M C 1.213 177.371 176.300 -0.238 0.000 1.128 233 M CA 0.678 55.715 55.300 -0.438 0.000 1.069 233 M CB -0.157 32.152 32.600 -0.484 0.000 1.469 233 M HN 0.290 nan 8.290 nan 0.000 0.494 234 G N 2.351 111.116 108.800 -0.058 0.000 2.298 234 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.287 234 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.287 234 G C 0.230 175.095 174.900 -0.057 0.000 1.075 234 G CA 0.205 45.293 45.100 -0.021 0.000 0.960 234 G HN 0.560 nan 8.290 nan 0.000 0.502 235 K N -0.691 119.671 120.400 -0.064 0.000 2.644 235 K HA 0.298 4.618 4.320 -0.000 0.000 0.198 235 K C 1.945 178.514 176.600 -0.052 0.000 1.113 235 K CA -0.503 55.741 56.287 -0.073 0.000 1.073 235 K CB 0.339 32.767 32.500 -0.119 0.000 0.811 235 K HN 0.341 nan 8.250 nan 0.000 0.508 236 L N 1.525 122.745 121.223 -0.005 0.000 1.956 236 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 236 L C 1.902 178.807 176.870 0.058 0.000 1.073 236 L CA 1.844 56.713 54.840 0.049 0.000 0.762 236 L CB 0.013 42.119 42.059 0.079 0.000 0.889 236 L HN 0.309 nan 8.230 nan 0.000 0.433 237 E N -0.294 119.934 120.200 0.046 0.000 2.097 237 E HA -0.323 4.027 4.350 -0.000 0.000 0.196 237 E C 1.884 178.496 176.600 0.020 0.000 1.000 237 E CA 1.660 58.088 56.400 0.047 0.000 0.804 237 E CB -0.298 29.422 29.700 0.033 0.000 0.740 237 E HN 0.612 nan 8.360 nan 0.000 0.454 238 E N 0.777 120.967 120.200 -0.016 0.000 2.106 238 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 238 E C 2.083 178.635 176.600 -0.081 0.000 0.984 238 E CA 0.923 57.298 56.400 -0.042 0.000 0.806 238 E CB 0.300 29.966 29.700 -0.057 0.000 0.750 238 E HN 0.036 nan 8.360 nan 0.000 0.458 239 V N 0.280 120.107 119.914 -0.145 0.000 2.446 239 V HA -0.013 4.107 4.120 -0.000 0.000 0.244 239 V C 0.796 176.664 176.094 -0.375 0.000 1.039 239 V CA 1.012 63.119 62.300 -0.321 0.000 1.045 239 V CB -0.204 31.311 31.823 -0.513 0.000 0.681 239 V HN 0.109 nan 8.190 nan 0.000 0.459 240 F N 0.511 120.452 119.950 -0.014 0.000 2.469 240 F HA 0.474 5.001 4.527 -0.000 0.000 0.332 240 F C 0.873 176.670 175.800 -0.006 0.000 1.103 240 F CA -0.753 57.239 58.000 -0.013 0.000 0.979 240 F CB 1.579 40.570 39.000 -0.015 0.000 1.137 240 F HN -0.010 nan 8.300 nan 0.000 0.463 241 S N 1.268 117.095 115.700 0.213 0.000 2.608 241 S HA 0.042 4.512 4.470 -0.000 0.000 0.261 241 S C 1.105 175.763 174.600 0.096 0.000 1.314 241 S CA -0.438 57.830 58.200 0.113 0.000 0.992 241 S CB 1.186 64.436 63.200 0.082 0.000 0.935 241 S HN 0.877 nan 8.310 nan 0.000 0.564 242 E N 0.518 120.756 120.200 0.062 0.000 2.110 242 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 242 E C 2.077 178.696 176.600 0.033 0.000 0.988 242 E CA 1.311 57.740 56.400 0.047 0.000 0.804 242 E CB -0.164 29.558 29.700 0.036 0.000 0.745 242 E HN 0.585 nan 8.360 nan 0.000 0.458 243 K N 0.524 120.942 120.400 0.030 0.000 2.057 243 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 243 K C 1.851 178.452 176.600 0.002 0.000 1.049 243 K CA 1.782 58.080 56.287 0.017 0.000 0.931 243 K CB -0.317 32.194 32.500 0.019 0.000 0.714 243 K HN 0.364 nan 8.250 nan 0.000 0.440 244 E N 0.082 120.288 120.200 0.011 0.000 2.051 244 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 244 E C 2.192 178.713 176.600 -0.131 0.000 0.991 244 E CA 1.766 58.138 56.400 -0.047 0.000 0.799 244 E CB -0.216 29.508 29.700 0.040 0.000 0.748 244 E HN 0.328 nan 8.360 nan 0.000 0.449 245 L N 1.256 122.440 121.223 -0.066 0.000 2.131 245 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 245 L C 2.079 178.925 176.870 -0.041 0.000 1.092 245 L CA 0.637 55.434 54.840 -0.072 0.000 0.759 245 L CB -0.410 41.660 42.059 0.019 0.000 0.903 245 L HN 0.177 nan 8.230 nan 0.000 0.435 246 N N 0.217 118.908 118.700 -0.016 0.000 2.142 246 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 246 N C 1.947 177.455 175.510 -0.003 0.000 1.023 246 N CA 1.172 54.223 53.050 0.001 0.000 0.852 246 N CB -0.164 38.326 38.487 0.005 0.000 0.998 246 N HN 0.343 nan 8.380 nan 0.000 0.424 247 R N 0.625 121.111 120.500 -0.024 0.000 2.081 247 R HA 0.063 4.403 4.340 -0.000 0.000 0.235 247 R C 2.335 178.634 176.300 -0.001 0.000 1.131 247 R CA 0.835 56.925 56.100 -0.015 0.000 0.960 247 R CB -0.264 30.011 30.300 -0.041 0.000 0.856 247 R HN 0.229 nan 8.270 nan 0.000 0.436 248 I N 1.056 121.581 120.570 -0.075 0.000 2.179 248 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 248 I C 2.101 178.261 176.117 0.072 0.000 1.088 248 I CA 1.450 62.711 61.300 -0.065 0.000 1.357 248 I CB -0.297 37.567 38.000 -0.227 0.000 1.051 248 I HN 0.138 nan 8.210 nan 0.000 0.409 249 K N 0.463 120.891 120.400 0.047 0.000 2.063 249 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 249 K C 2.255 178.917 176.600 0.104 0.000 1.048 249 K CA 1.548 57.887 56.287 0.087 0.000 0.928 249 K CB -0.278 32.266 32.500 0.073 0.000 0.713 249 K HN 0.101 nan 8.250 nan 0.000 0.442 250 R N 0.597 121.147 120.500 0.083 0.000 2.081 250 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 250 R C 1.884 178.234 176.300 0.082 0.000 1.131 250 R CA 1.645 57.784 56.100 0.065 0.000 0.960 250 R CB -0.765 29.564 30.300 0.049 0.000 0.856 250 R HN 0.396 nan 8.270 nan 0.000 0.436 251 W N -0.135 121.143 121.300 -0.037 0.000 2.358 251 W HA -0.215 4.445 4.660 -0.000 0.000 0.303 251 W C 1.985 178.498 176.519 -0.010 0.000 1.208 251 W CA 1.696 59.015 57.345 -0.042 0.000 1.274 251 W CB -0.527 28.884 29.460 -0.083 0.000 1.138 251 W HN 0.159 nan 8.180 nan 0.000 0.515 252 C N -0.181 119.290 119.300 0.286 0.000 2.436 252 C HA -0.192 4.268 4.460 -0.000 0.000 0.277 252 C C 2.672 177.689 174.990 0.046 0.000 1.241 252 C CA 1.183 60.312 59.018 0.185 0.000 1.721 252 C CB -1.531 26.364 27.740 0.257 0.000 2.043 252 C HN 0.446 nan 8.230 nan 0.000 0.472 253 I N 0.556 121.171 120.570 0.075 0.000 2.700 253 I HA -0.154 4.016 4.170 -0.000 0.000 0.261 253 I C 1.970 178.057 176.117 -0.050 0.000 1.219 253 I CA 1.134 62.477 61.300 0.071 0.000 1.463 253 I CB -0.078 37.972 38.000 0.084 0.000 1.092 253 I HN 0.288 nan 8.210 nan 0.000 0.452 254 M N -0.241 119.274 119.600 -0.142 0.000 2.619 254 M HA -0.001 4.479 4.480 -0.000 0.000 0.251 254 M C 1.673 177.802 176.300 -0.285 0.000 1.106 254 M CA 0.787 55.960 55.300 -0.212 0.000 1.086 254 M CB -0.776 31.680 32.600 -0.240 0.000 1.465 254 M HN 0.168 nan 8.290 nan 0.000 0.506 255 R N 0.262 120.596 120.500 -0.277 0.000 2.236 255 R HA 0.042 4.382 4.340 -0.000 0.000 0.208 255 R C 0.891 176.890 176.300 -0.502 0.000 1.036 255 R CA 0.193 56.127 56.100 -0.277 0.000 1.001 255 R CB -0.529 29.731 30.300 -0.066 0.000 0.896 255 R HN 0.531 nan 8.270 nan 0.000 0.464 256 Q N 1.124 120.605 119.800 -0.532 0.000 2.296 256 Q HA -0.006 4.334 4.340 -0.000 0.000 0.262 256 Q C 0.217 175.858 176.000 -0.599 0.000 0.981 256 Q CA 0.064 55.333 55.803 -0.891 0.000 0.905 256 Q CB 0.895 29.078 28.738 -0.925 0.000 1.186 256 Q HN -0.021 nan 8.270 nan 0.000 0.399 257 Q N 2.641 122.092 119.800 -0.581 0.000 2.471 257 Q HA 0.117 4.457 4.340 -0.000 0.000 0.241 257 Q C 0.183 176.007 176.000 -0.292 0.000 0.886 257 Q CA 1.321 56.884 55.803 -0.399 0.000 0.953 257 Q CB 0.639 29.140 28.738 -0.394 0.000 1.108 257 Q HN 0.880 nan 8.270 nan 0.000 0.575 258 N N -1.141 117.365 118.700 -0.323 0.000 2.532 258 N HA 0.023 4.763 4.740 -0.000 0.000 0.324 258 N C 0.803 176.191 175.510 -0.204 0.000 0.609 258 N CA 0.448 53.389 53.050 -0.181 0.000 1.102 258 N CB -0.305 38.133 38.487 -0.083 0.000 2.059 258 N HN 0.094 nan 8.380 nan 0.000 1.570 259 G N -0.983 107.627 108.800 -0.316 0.000 2.695 259 G HA2 0.574 4.534 3.960 -0.000 0.000 0.213 259 G HA3 0.574 4.534 3.960 -0.000 0.000 0.213 259 G C -1.431 173.281 174.900 -0.314 0.000 1.406 259 G CA -0.271 44.693 45.100 -0.226 0.000 1.049 259 G HN 0.131 nan 8.290 nan 0.000 0.573 260 Y N -0.656 119.568 120.300 -0.126 0.000 2.462 260 Y HA 0.440 4.990 4.550 -0.000 0.000 0.346 260 Y C 0.517 176.440 175.900 0.039 0.000 0.976 260 Y CA -0.884 57.175 58.100 -0.069 0.000 1.044 260 Y CB 1.796 40.288 38.460 0.053 0.000 1.230 260 Y HN 0.733 nan 8.280 nan 0.000 0.455 261 H N -1.397 117.662 119.070 -0.018 0.000 2.595 261 H HA 0.644 5.199 4.556 -0.000 0.000 0.346 261 H C 0.382 175.335 175.328 -0.625 0.000 1.181 261 H CA -0.925 55.023 56.048 -0.167 0.000 1.242 261 H CB 2.067 31.741 29.762 -0.147 0.000 1.652 261 H HN 0.822 nan 8.280 nan 0.000 0.548 262 G N 0.235 108.401 108.800 -1.057 0.000 2.838 262 G HA2 0.144 4.104 3.960 -0.000 0.000 0.210 262 G HA3 0.144 4.104 3.960 -0.000 0.000 0.210 262 G C 0.340 174.769 174.900 -0.784 0.000 1.153 262 G CA -0.258 43.956 45.100 -1.477 0.000 0.778 262 G HN 0.550 nan 8.290 nan 0.000 0.539 263 R N -0.699 119.375 120.500 -0.710 0.000 2.643 263 R HA 0.315 4.655 4.340 -0.000 0.000 0.269 263 R C -3.141 172.649 176.300 -0.849 0.000 1.037 263 R CA -1.796 54.013 56.100 -0.485 0.000 0.894 263 R CB 1.882 32.074 30.300 -0.181 0.000 1.238 263 R HN -0.144 nan 8.270 nan 0.000 0.459 264 P HA -0.019 nan 4.420 nan 0.000 0.265 264 P C -0.689 176.462 177.300 -0.248 0.000 1.187 264 P CA 0.527 63.420 63.100 -0.346 0.000 0.766 264 P CB 0.255 31.880 31.700 -0.126 0.000 0.820 265 N N -1.033 117.609 118.700 -0.097 0.000 2.747 265 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 265 N C -0.426 175.060 175.510 -0.040 0.000 1.107 265 N CA 0.818 53.850 53.050 -0.030 0.000 0.707 265 N CB -0.628 37.847 38.487 -0.020 0.000 1.054 265 N HN 0.372 nan 8.380 nan 0.000 0.555 266 K N 0.299 120.651 120.400 -0.081 0.000 2.375 266 K HA 0.450 4.770 4.320 -0.000 0.000 0.249 266 K C -2.450 174.225 176.600 0.125 0.000 0.942 266 K CA -1.689 54.591 56.287 -0.011 0.000 0.806 266 K CB 1.790 34.236 32.500 -0.089 0.000 1.227 266 K HN -0.123 nan 8.250 nan 0.000 0.430 267 P HA -0.009 nan 4.420 nan 0.000 0.269 267 P C 0.283 177.732 177.300 0.249 0.000 1.209 267 P CA -0.387 62.785 63.100 0.120 0.000 0.776 267 P CB 0.448 32.154 31.700 0.011 0.000 0.876 268 V N -0.898 119.099 119.914 0.138 0.000 3.237 268 V HA 0.355 4.474 4.120 -0.000 0.000 0.305 268 V C 0.150 176.497 176.094 0.422 0.000 1.096 268 V CA 0.056 62.436 62.300 0.133 0.000 1.130 268 V CB 0.437 32.072 31.823 -0.312 0.000 1.048 268 V HN 0.632 nan 8.190 nan 0.000 0.484 269 D N 1.059 121.740 120.400 0.468 0.000 2.970 269 D HA 0.274 4.914 4.640 -0.000 0.000 0.230 269 D C 0.796 177.369 176.300 0.455 0.000 1.276 269 D CA -0.055 54.267 54.000 0.536 0.000 0.910 269 D CB 2.337 43.450 40.800 0.522 0.000 1.590 269 D HN 0.669 nan 8.370 nan 0.000 0.551 270 T N 1.860 116.732 114.554 0.530 0.000 2.653 270 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 270 T C 2.027 176.802 174.700 0.125 0.000 1.037 270 T CA 2.385 64.721 62.100 0.393 0.000 1.159 270 T CB -0.616 68.432 68.868 0.299 0.000 0.859 270 T HN 0.779 nan 8.240 nan 0.000 0.449 271 C N 0.399 119.690 119.300 -0.015 0.000 2.409 271 C HA -0.050 4.410 4.460 -0.000 0.000 0.284 271 C C 2.210 176.953 174.990 -0.411 0.000 1.354 271 C CA -0.178 58.629 59.018 -0.351 0.000 1.787 271 C CB -2.086 25.307 27.740 -0.578 0.000 1.900 271 C HN 0.498 nan 8.230 nan 0.000 0.520 272 Y N 1.924 122.280 120.300 0.093 0.000 2.509 272 Y HA 0.016 4.566 4.550 -0.000 0.000 0.293 272 Y C 2.833 178.661 175.900 -0.119 0.000 1.133 272 Y CA 1.303 59.475 58.100 0.120 0.000 1.283 272 Y CB -0.711 37.873 38.460 0.206 0.000 1.001 272 Y HN 0.350 nan 8.280 nan 0.000 0.555 273 S N -0.412 115.277 115.700 -0.019 0.000 2.442 273 S HA -0.166 4.304 4.470 -0.000 0.000 0.236 273 S C 1.674 176.055 174.600 -0.366 0.000 1.007 273 S CA 1.189 59.259 58.200 -0.217 0.000 0.965 273 S CB -0.385 62.803 63.200 -0.020 0.000 0.773 273 S HN 0.543 nan 8.310 nan 0.000 0.504 274 F N 0.086 119.751 119.950 -0.476 0.000 2.298 274 F HA 0.203 4.730 4.527 -0.000 0.000 0.282 274 F C 1.623 177.104 175.800 -0.531 0.000 1.045 274 F CA 0.052 57.708 58.000 -0.574 0.000 1.280 274 F CB -0.720 37.879 39.000 -0.668 0.000 1.114 274 F HN 0.158 nan 8.300 nan 0.000 0.546 275 W N 0.568 121.518 121.300 -0.583 0.000 2.301 275 W HA -0.273 4.386 4.660 -0.000 0.000 0.325 275 W C 2.326 178.627 176.519 -0.363 0.000 1.250 275 W CA 1.646 58.637 57.345 -0.590 0.000 1.261 275 W CB -0.936 28.401 29.460 -0.204 0.000 1.157 275 W HN -0.137 nan 8.180 nan 0.000 0.473 276 V N 0.157 120.072 119.914 0.002 0.000 2.346 276 V HA -0.088 4.032 4.120 -0.000 0.000 0.244 276 V C 2.385 178.320 176.094 -0.265 0.000 1.037 276 V CA 1.898 64.169 62.300 -0.049 0.000 1.029 276 V CB -1.629 30.186 31.823 -0.013 0.000 0.663 276 V HN 0.384 nan 8.190 nan 0.000 0.454 277 G N 0.222 108.676 108.800 -0.575 0.000 2.476 277 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 277 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 277 G C 1.758 176.242 174.900 -0.693 0.000 1.164 277 G CA 1.247 45.925 45.100 -0.704 0.000 0.768 277 G HN 0.606 nan 8.290 nan 0.000 0.560 278 A N 0.025 122.405 122.820 -0.734 0.000 1.972 278 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 278 A C 2.530 180.004 177.584 -0.182 0.000 1.169 278 A CA 2.432 54.123 52.037 -0.576 0.000 0.635 278 A CB -0.799 17.576 19.000 -1.042 0.000 0.810 278 A HN 0.325 nan 8.150 nan 0.000 0.446 279 T N 0.441 114.957 114.554 -0.064 0.000 2.737 279 T HA -0.063 4.287 4.350 -0.000 0.000 0.265 279 T C 1.813 176.535 174.700 0.036 0.000 1.038 279 T CA 1.400 63.531 62.100 0.051 0.000 1.144 279 T CB -0.379 68.559 68.868 0.116 0.000 0.866 279 T HN 0.370 nan 8.240 nan 0.000 0.434 280 L N 0.718 121.964 121.223 0.038 0.000 2.042 280 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 280 L C 2.629 179.580 176.870 0.136 0.000 1.076 280 L CA 1.258 56.183 54.840 0.141 0.000 0.749 280 L CB -0.431 41.800 42.059 0.287 0.000 0.893 280 L HN 0.184 nan 8.230 nan 0.000 0.432 281 K N 0.828 121.243 120.400 0.026 0.000 2.057 281 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 281 K C 1.946 178.568 176.600 0.036 0.000 1.049 281 K CA 1.535 57.840 56.287 0.030 0.000 0.931 281 K CB -0.359 32.059 32.500 -0.137 0.000 0.714 281 K HN 0.172 nan 8.250 nan 0.000 0.440 282 L N 0.342 121.577 121.223 0.020 0.000 2.191 282 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 282 L C 1.815 178.715 176.870 0.051 0.000 1.103 282 L CA 0.800 55.660 54.840 0.034 0.000 0.769 282 L CB -0.237 41.839 42.059 0.029 0.000 0.908 282 L HN 0.183 nan 8.230 nan 0.000 0.438 283 L N -0.653 120.610 121.223 0.066 0.000 2.591 283 L HA 0.023 4.363 4.340 -0.000 0.000 0.228 283 L C 0.682 177.608 176.870 0.094 0.000 1.133 283 L CA 0.099 54.986 54.840 0.078 0.000 0.880 283 L CB -0.173 41.936 42.059 0.083 0.000 1.033 283 L HN 0.199 nan 8.230 nan 0.000 0.450 284 K N 0.401 120.855 120.400 0.090 0.000 3.160 284 K HA -0.200 4.120 4.320 -0.000 0.000 0.280 284 K C 0.626 177.285 176.600 0.097 0.000 1.154 284 K CA 1.025 57.362 56.287 0.084 0.000 0.822 284 K CB -1.507 31.037 32.500 0.073 0.000 1.239 284 K HN 0.595 nan 8.250 nan 0.000 0.489 285 I N -4.259 116.398 120.570 0.145 0.000 4.160 285 I HA 0.181 4.351 4.170 -0.000 0.000 0.325 285 I C 1.220 177.435 176.117 0.163 0.000 1.455 285 I CA -0.677 60.736 61.300 0.188 0.000 1.142 285 I CB 0.082 38.280 38.000 0.329 0.000 1.262 285 I HN -0.016 nan 8.210 nan 0.000 0.483 286 F N 3.410 123.378 119.950 0.030 0.000 2.216 286 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 286 F C 2.562 178.442 175.800 0.133 0.000 1.085 286 F CA 2.375 60.425 58.000 0.083 0.000 1.326 286 F CB -0.142 38.883 39.000 0.042 0.000 1.027 286 F HN 0.394 nan 8.300 nan 0.000 0.497 287 Q N -1.250 118.461 119.800 -0.147 0.000 2.297 287 Q HA -0.262 4.078 4.340 -0.000 0.000 0.208 287 Q C 1.226 176.942 176.000 -0.474 0.000 0.981 287 Q CA 2.040 57.626 55.803 -0.361 0.000 0.876 287 Q CB -1.143 27.293 28.738 -0.503 0.000 0.921 287 Q HN 0.618 nan 8.270 nan 0.000 0.446 288 Y N 2.122 122.365 120.300 -0.095 0.000 2.466 288 Y HA 0.117 4.667 4.550 -0.000 0.000 0.272 288 Y C 1.153 176.993 175.900 -0.100 0.000 1.169 288 Y CA -0.047 57.994 58.100 -0.100 0.000 1.285 288 Y CB 0.439 38.873 38.460 -0.044 0.000 1.078 288 Y HN 0.176 nan 8.280 nan 0.000 0.523 289 T N -1.746 112.797 114.554 -0.019 0.000 2.816 289 T HA 0.062 4.412 4.350 -0.000 0.000 0.282 289 T C 0.082 174.795 174.700 0.023 0.000 0.993 289 T CA -0.991 61.115 62.100 0.010 0.000 0.994 289 T CB 1.160 70.031 68.868 0.006 0.000 1.025 289 T HN 0.108 nan 8.240 nan 0.000 0.529 290 N N 0.665 119.396 118.700 0.052 0.000 2.406 290 N HA 0.132 4.872 4.740 -0.000 0.000 0.251 290 N C 0.309 175.954 175.510 0.226 0.000 1.069 290 N CA -0.489 52.603 53.050 0.069 0.000 0.947 290 N CB -0.145 38.347 38.487 0.007 0.000 1.111 290 N HN 0.721 nan 8.380 nan 0.000 0.497 291 F N 1.559 121.459 119.950 -0.085 0.000 2.113 291 F HA -0.161 4.365 4.527 -0.000 0.000 0.297 291 F C 2.209 178.017 175.800 0.014 0.000 1.103 291 F CA 0.573 58.549 58.000 -0.041 0.000 1.248 291 F CB 0.199 39.166 39.000 -0.055 0.000 0.999 291 F HN 0.490 nan 8.300 nan 0.000 0.475 292 E N 1.437 121.765 120.200 0.214 0.000 2.049 292 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 292 E C 1.832 178.496 176.600 0.107 0.000 1.007 292 E CA 1.817 58.295 56.400 0.130 0.000 0.809 292 E CB -0.257 29.494 29.700 0.085 0.000 0.749 292 E HN 0.224 nan 8.360 nan 0.000 0.450 293 K N -0.052 120.400 120.400 0.088 0.000 2.147 293 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 293 K C 2.110 178.780 176.600 0.117 0.000 1.049 293 K CA 1.227 57.560 56.287 0.076 0.000 0.936 293 K CB -0.275 32.239 32.500 0.024 0.000 0.722 293 K HN 0.124 nan 8.250 nan 0.000 0.446 294 N N 1.781 120.558 118.700 0.129 0.000 2.080 294 N HA -0.177 4.563 4.740 -0.000 0.000 0.189 294 N C 1.767 177.391 175.510 0.190 0.000 1.036 294 N CA 1.360 54.527 53.050 0.195 0.000 0.846 294 N CB -0.079 38.566 38.487 0.264 0.000 1.015 294 N HN 0.072 nan 8.380 nan 0.000 0.423 295 R N 0.165 120.738 120.500 0.122 0.000 2.091 295 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 295 R C 1.997 178.362 176.300 0.109 0.000 1.136 295 R CA 1.885 58.035 56.100 0.083 0.000 0.959 295 R CB -0.504 29.831 30.300 0.058 0.000 0.856 295 R HN 0.352 nan 8.270 nan 0.000 0.437 296 N N -0.808 117.964 118.700 0.120 0.000 2.069 296 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 296 N C 1.709 177.291 175.510 0.120 0.000 1.031 296 N CA 1.638 54.754 53.050 0.111 0.000 0.852 296 N CB -0.281 38.268 38.487 0.104 0.000 1.018 296 N HN 0.327 nan 8.380 nan 0.000 0.423 297 Y N 1.074 121.425 120.300 0.085 0.000 2.114 297 Y HA -0.114 4.436 4.550 -0.000 0.000 0.284 297 Y C 1.945 177.927 175.900 0.137 0.000 1.143 297 Y CA 1.633 59.796 58.100 0.104 0.000 1.135 297 Y CB -0.408 38.113 38.460 0.101 0.000 0.980 297 Y HN 0.118 nan 8.280 nan 0.000 0.499 298 I N 0.001 120.650 120.570 0.133 0.000 2.113 298 I HA -0.400 3.770 4.170 -0.000 0.000 0.242 298 I C 2.376 178.571 176.117 0.129 0.000 1.064 298 I CA 1.824 63.164 61.300 0.067 0.000 1.320 298 I CB -0.667 37.343 38.000 0.016 0.000 1.028 298 I HN 0.289 nan 8.210 nan 0.000 0.406 299 L N 0.536 121.854 121.223 0.159 0.000 2.131 299 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 299 L C 2.713 179.632 176.870 0.082 0.000 1.092 299 L CA 1.514 56.491 54.840 0.228 0.000 0.759 299 L CB -0.666 41.500 42.059 0.178 0.000 0.903 299 L HN 0.403 nan 8.230 nan 0.000 0.435 300 S N -1.396 114.283 115.700 -0.036 0.000 2.507 300 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 300 S C 1.670 176.203 174.600 -0.111 0.000 0.988 300 S CA 1.162 59.309 58.200 -0.089 0.000 0.944 300 S CB -0.657 62.463 63.200 -0.133 0.000 0.762 300 S HN 0.571 nan 8.310 nan 0.000 0.526 301 T N -1.865 112.631 114.554 -0.097 0.000 3.092 301 T HA 0.258 4.608 4.350 -0.000 0.000 0.258 301 T C 0.302 174.999 174.700 -0.006 0.000 1.031 301 T CA -0.531 61.549 62.100 -0.034 0.000 0.925 301 T CB -0.225 68.633 68.868 -0.015 0.000 1.036 301 T HN 0.489 nan 8.240 nan 0.000 0.544 302 Q N 1.762 121.511 119.800 -0.086 0.000 2.332 302 Q HA 0.091 4.431 4.340 -0.000 0.000 0.263 302 Q C -0.728 175.109 176.000 -0.271 0.000 0.979 302 Q CA -0.305 55.245 55.803 -0.421 0.000 0.885 302 Q CB 0.545 29.057 28.738 -0.378 0.000 1.218 302 Q HN 0.299 nan 8.270 nan 0.000 0.405 303 D N 3.032 123.249 120.400 -0.305 0.000 2.411 303 D HA 0.130 4.770 4.640 -0.000 0.000 0.225 303 D C 0.807 176.989 176.300 -0.196 0.000 1.156 303 D CA 0.122 54.014 54.000 -0.181 0.000 0.874 303 D CB 0.662 41.386 40.800 -0.127 0.000 1.034 303 D HN 0.739 nan 8.370 nan 0.000 0.502 304 R N 3.735 124.138 120.500 -0.161 0.000 2.241 304 R HA -0.100 4.240 4.340 -0.000 0.000 0.224 304 R C 1.700 177.917 176.300 -0.139 0.000 1.101 304 R CA 0.625 56.627 56.100 -0.164 0.000 0.995 304 R CB -0.660 29.568 30.300 -0.119 0.000 0.870 304 R HN 0.521 nan 8.270 nan 0.000 0.463 305 L N -0.094 121.069 121.223 -0.101 0.000 2.185 305 L HA 0.120 4.460 4.340 -0.000 0.000 0.198 305 L C 2.390 179.222 176.870 -0.063 0.000 1.079 305 L CA 2.218 57.015 54.840 -0.072 0.000 0.780 305 L CB -0.097 41.936 42.059 -0.043 0.000 0.955 305 L HN 0.294 nan 8.230 nan 0.000 0.462 306 V N -0.856 119.040 119.914 -0.032 0.000 3.590 306 V HA 0.439 4.559 4.120 -0.000 0.000 0.265 306 V C 0.830 176.978 176.094 0.089 0.000 1.239 306 V CA 0.730 63.047 62.300 0.028 0.000 1.117 306 V CB -0.129 31.742 31.823 0.080 0.000 0.818 306 V HN 0.655 nan 8.190 nan 0.000 0.451 307 G N -0.718 108.050 108.800 -0.053 0.000 2.710 307 G HA2 0.406 4.365 3.960 -0.000 0.000 0.668 307 G HA3 0.406 4.365 3.960 -0.000 0.000 0.668 307 G C 0.576 175.260 174.900 -0.359 0.000 1.320 307 G CA -0.287 44.713 45.100 -0.166 0.000 0.860 307 G HN 2.374 nan 8.290 nan 0.000 0.538 308 G N -2.028 106.442 108.800 -0.550 0.000 2.828 308 G HA2 0.350 4.310 3.960 -0.000 0.000 0.463 308 G HA3 0.350 4.310 3.960 -0.000 0.000 0.463 308 G C -0.382 174.060 174.900 -0.763 0.000 1.394 308 G CA 0.325 44.721 45.100 -1.173 0.000 0.862 308 G HN 1.802 nan 8.290 nan 0.000 0.540 309 F N 0.027 119.706 119.950 -0.451 0.000 2.579 309 F HA 0.844 5.371 4.527 -0.000 0.000 0.324 309 F C 0.871 176.587 175.800 -0.139 0.000 1.058 309 F CA 0.066 57.937 58.000 -0.214 0.000 0.944 309 F CB 2.052 40.951 39.000 -0.168 0.000 1.245 309 F HN 0.991 nan 8.300 nan 0.000 0.477 310 A N 1.045 123.902 122.820 0.062 0.000 2.347 310 A HA 0.544 4.864 4.320 -0.000 0.000 0.301 310 A C 0.789 178.242 177.584 -0.218 0.000 1.163 310 A CA -0.567 51.391 52.037 -0.132 0.000 0.860 310 A CB 1.315 20.256 19.000 -0.099 0.000 1.367 310 A HN 0.876 nan 8.150 nan 0.000 0.461 311 K N -1.080 118.959 120.400 -0.601 0.000 2.103 311 K HA 0.000 4.320 4.320 -0.000 0.000 0.204 311 K C -0.399 176.164 176.600 -0.062 0.000 1.052 311 K CA 0.678 56.690 56.287 -0.458 0.000 0.945 311 K CB 0.006 31.989 32.500 -0.862 0.000 0.722 311 K HN 0.580 nan 8.250 nan 0.000 0.443 312 W N 1.638 122.987 121.300 0.083 0.000 2.902 312 W HA 0.407 5.067 4.660 -0.000 0.000 0.346 312 W C -2.623 173.907 176.519 0.018 0.000 1.139 312 W CA -3.119 54.306 57.345 0.133 0.000 1.139 312 W CB 0.088 29.633 29.460 0.142 0.000 1.439 312 W HN -0.192 nan 8.180 nan 0.000 0.558 313 P HA 0.136 nan 4.420 nan 0.000 0.269 313 P C 0.206 177.575 177.300 0.115 0.000 1.209 313 P CA 1.180 64.330 63.100 0.084 0.000 0.776 313 P CB 0.226 31.944 31.700 0.029 0.000 0.876 314 D N -1.246 119.190 120.400 0.061 0.000 2.746 314 D HA -0.142 4.498 4.640 -0.000 0.000 0.236 314 D C 0.064 176.417 176.300 0.089 0.000 1.129 314 D CA 1.177 55.213 54.000 0.059 0.000 0.691 314 D CB -1.966 38.868 40.800 0.057 0.000 1.077 314 D HN 0.549 nan 8.370 nan 0.000 0.432 315 S N -2.194 113.555 115.700 0.081 0.000 2.599 315 S HA 0.753 5.223 4.470 -0.000 0.000 0.294 315 S C 0.141 174.755 174.600 0.022 0.000 1.094 315 S CA 0.745 58.991 58.200 0.077 0.000 0.931 315 S CB 1.464 64.721 63.200 0.095 0.000 1.093 315 S HN 1.703 nan 8.310 nan 0.000 0.488 316 H N 2.616 121.698 119.070 0.020 0.000 2.848 316 H HA 0.495 5.051 4.556 -0.000 0.000 0.317 316 H C -2.488 172.855 175.328 0.025 0.000 1.046 316 H CA -1.465 54.605 56.048 0.037 0.000 1.470 316 H CB -0.476 29.324 29.762 0.063 0.000 1.483 316 H HN 0.594 nan 8.280 nan 0.000 0.548 317 P HA 0.312 nan 4.420 nan 0.000 0.274 317 P C -1.201 176.239 177.300 0.234 0.000 1.237 317 P CA -0.041 63.100 63.100 0.069 0.000 0.793 317 P CB 1.385 33.081 31.700 -0.006 0.000 0.977 318 D N -1.160 119.398 120.400 0.263 0.000 2.596 318 D HA 0.443 5.083 4.640 -0.000 0.000 0.262 318 D C 0.863 177.420 176.300 0.429 0.000 1.210 318 D CA -0.956 53.292 54.000 0.414 0.000 0.873 318 D CB 0.328 41.341 40.800 0.356 0.000 1.408 318 D HN 0.179 nan 8.370 nan 0.000 0.441 319 A N 0.282 123.399 122.820 0.495 0.000 1.917 319 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 319 A C 2.013 179.679 177.584 0.137 0.000 1.182 319 A CA 1.769 54.109 52.037 0.504 0.000 0.633 319 A CB -1.046 18.276 19.000 0.537 0.000 0.819 319 A HN 0.649 nan 8.150 nan 0.000 0.448 320 L N -1.421 119.788 121.223 -0.023 0.000 1.989 320 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 320 L C 2.519 179.194 176.870 -0.324 0.000 1.071 320 L CA 2.406 56.917 54.840 -0.548 0.000 0.749 320 L CB -0.403 41.581 42.059 -0.124 0.000 0.890 320 L HN 0.560 nan 8.230 nan 0.000 0.431 321 H N -0.650 118.393 119.070 -0.045 0.000 2.428 321 H HA 0.004 4.560 4.556 -0.000 0.000 0.296 321 H C 2.158 177.434 175.328 -0.088 0.000 1.062 321 H CA 1.126 57.152 56.048 -0.037 0.000 1.350 321 H CB -0.228 29.537 29.762 0.004 0.000 1.403 321 H HN 0.524 nan 8.280 nan 0.000 0.533 322 A N 0.329 123.180 122.820 0.051 0.000 1.877 322 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 322 A C 2.113 179.702 177.584 0.009 0.000 1.186 322 A CA 1.649 53.695 52.037 0.015 0.000 0.620 322 A CB -0.968 17.876 19.000 -0.261 0.000 0.822 322 A HN 0.526 nan 8.150 nan 0.000 0.443 323 Y N -0.602 119.605 120.300 -0.156 0.000 2.163 323 Y HA -0.158 4.392 4.550 -0.000 0.000 0.288 323 Y C 1.927 177.428 175.900 -0.665 0.000 1.136 323 Y CA 1.677 59.533 58.100 -0.406 0.000 1.147 323 Y CB -0.558 37.430 38.460 -0.787 0.000 0.987 323 Y HN 0.282 nan 8.280 nan 0.000 0.509 324 F N -0.391 119.157 119.950 -0.670 0.000 2.325 324 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 324 F C 2.546 177.934 175.800 -0.688 0.000 1.090 324 F CA 0.805 58.292 58.000 -0.856 0.000 1.392 324 F CB -0.655 37.849 39.000 -0.827 0.000 1.053 324 F HN 0.138 nan 8.300 nan 0.000 0.521 325 G N 0.349 108.848 108.800 -0.501 0.000 2.402 325 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 325 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 325 G C 1.695 176.101 174.900 -0.823 0.000 1.162 325 G CA 0.664 45.321 45.100 -0.738 0.000 0.777 325 G HN 0.325 nan 8.290 nan 0.000 0.539 326 I N 0.284 120.407 120.570 -0.745 0.000 2.252 326 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 326 I C 2.680 178.497 176.117 -0.499 0.000 1.102 326 I CA 0.552 61.537 61.300 -0.526 0.000 1.385 326 I CB -0.137 37.724 38.000 -0.233 0.000 1.064 326 I HN 0.184 nan 8.210 nan 0.000 0.414 327 C N 0.717 119.634 119.300 -0.638 0.000 2.422 327 C HA -0.076 4.384 4.460 -0.000 0.000 0.279 327 C C 2.900 177.713 174.990 -0.295 0.000 1.305 327 C CA 0.931 59.614 59.018 -0.558 0.000 1.757 327 C CB -1.708 25.443 27.740 -0.982 0.000 1.962 327 C HN 0.667 nan 8.230 nan 0.000 0.499 328 G N 0.319 108.935 108.800 -0.307 0.000 2.421 328 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 328 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 328 G C 1.412 176.156 174.900 -0.261 0.000 1.171 328 G CA 0.565 45.519 45.100 -0.243 0.000 0.775 328 G HN 0.339 nan 8.290 nan 0.000 0.543 329 L N 1.282 122.314 121.223 -0.319 0.000 2.046 329 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 329 L C 3.072 179.782 176.870 -0.266 0.000 1.077 329 L CA 1.930 56.584 54.840 -0.310 0.000 0.747 329 L CB -1.061 40.729 42.059 -0.448 0.000 0.896 329 L HN 0.334 nan 8.230 nan 0.000 0.432 330 S N -0.923 114.619 115.700 -0.264 0.000 2.400 330 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 330 S C 1.994 176.507 174.600 -0.145 0.000 1.025 330 S CA 0.791 58.878 58.200 -0.188 0.000 0.993 330 S CB -0.112 62.982 63.200 -0.177 0.000 0.808 330 S HN 0.266 nan 8.310 nan 0.000 0.478 331 L N 1.026 122.133 121.223 -0.194 0.000 2.131 331 L HA 0.071 4.411 4.340 -0.000 0.000 0.210 331 L C 2.196 179.033 176.870 -0.055 0.000 1.092 331 L CA 1.710 56.415 54.840 -0.225 0.000 0.759 331 L CB -1.134 40.549 42.059 -0.627 0.000 0.903 331 L HN 0.514 nan 8.230 nan 0.000 0.435 332 M N -1.251 118.267 119.600 -0.136 0.000 2.495 332 M HA 0.070 4.550 4.480 -0.000 0.000 0.237 332 M C -0.475 175.813 176.300 -0.019 0.000 1.131 332 M CA 0.015 55.169 55.300 -0.242 0.000 1.032 332 M CB 0.214 32.481 32.600 -0.554 0.000 1.513 332 M HN 0.102 nan 8.290 nan 0.000 0.488 333 E N 1.770 121.946 120.200 -0.039 0.000 6.456 333 E HA -0.167 4.183 4.350 -0.000 0.000 0.224 333 E C -0.431 176.148 176.600 -0.035 0.000 1.370 333 E CA 0.234 56.624 56.400 -0.018 0.000 1.397 333 E CB -0.501 29.225 29.700 0.043 0.000 0.962 333 E HN 0.288 nan 8.360 nan 0.000 0.301 334 E N 1.694 121.839 120.200 -0.093 0.000 2.244 334 E HA 0.387 4.737 4.350 -0.000 0.000 0.266 334 E C -0.792 175.770 176.600 -0.062 0.000 0.914 334 E CA -0.689 55.643 56.400 -0.113 0.000 0.794 334 E CB 1.832 31.365 29.700 -0.278 0.000 1.210 334 E HN 0.227 nan 8.360 nan 0.000 0.414 335 S N 2.652 118.348 115.700 -0.005 0.000 2.811 335 S HA 0.273 4.742 4.470 -0.000 0.000 0.325 335 S C 0.648 175.302 174.600 0.090 0.000 1.224 335 S CA 1.311 59.544 58.200 0.055 0.000 1.125 335 S CB -1.159 62.097 63.200 0.093 0.000 0.867 335 S HN 1.042 nan 8.310 nan 0.000 0.512 336 G N 4.860 113.704 108.800 0.073 0.000 2.298 336 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.287 336 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.287 336 G C -0.140 174.822 174.900 0.103 0.000 1.075 336 G CA 0.242 45.400 45.100 0.096 0.000 0.960 336 G HN 0.795 nan 8.290 nan 0.000 0.502 337 I N 0.250 120.839 120.570 0.031 0.000 2.517 337 I HA 0.167 4.337 4.170 -0.000 0.000 0.280 337 I C 1.055 177.163 176.117 -0.016 0.000 1.061 337 I CA -1.170 60.130 61.300 -0.001 0.000 1.091 337 I CB 1.146 39.072 38.000 -0.123 0.000 1.205 337 I HN 0.170 nan 8.210 nan 0.000 0.459 338 C N 4.202 123.506 119.300 0.006 0.000 2.652 338 C HA 0.130 4.590 4.460 -0.000 0.000 0.401 338 C C 1.377 176.359 174.990 -0.013 0.000 1.292 338 C CA -0.208 58.812 59.018 0.003 0.000 1.785 338 C CB -0.785 26.962 27.740 0.011 0.000 2.659 338 C HN 0.832 nan 8.230 nan 0.000 0.634 339 K N 1.883 122.284 120.400 0.001 0.000 2.326 339 K HA 0.508 4.828 4.320 -0.000 0.000 0.275 339 K C -0.292 176.319 176.600 0.018 0.000 1.018 339 K CA -0.196 56.092 56.287 0.001 0.000 0.962 339 K CB 0.460 32.969 32.500 0.014 0.000 0.953 339 K HN 0.893 nan 8.250 nan 0.000 0.475 340 V N 2.831 122.757 119.914 0.020 0.000 2.612 340 V HA 0.337 4.457 4.120 -0.000 0.000 0.301 340 V C -0.329 175.857 176.094 0.154 0.000 1.046 340 V CA -0.768 61.577 62.300 0.075 0.000 0.946 340 V CB 1.571 33.419 31.823 0.041 0.000 1.003 340 V HN 0.983 nan 8.190 nan 0.000 0.459 341 H N 8.704 127.840 119.070 0.110 0.000 2.969 341 H HA 0.377 4.933 4.556 -0.000 0.000 0.269 341 H C -1.723 173.730 175.328 0.209 0.000 1.223 341 H CA -2.087 54.040 56.048 0.131 0.000 1.400 341 H CB 1.304 31.142 29.762 0.126 0.000 1.500 341 H HN 0.550 nan 8.280 nan 0.000 0.486 342 P HA -0.232 nan 4.420 nan 0.000 0.218 342 P C 0.933 178.557 177.300 0.540 0.000 1.150 342 P CA 1.958 65.280 63.100 0.370 0.000 0.841 342 P CB 0.286 32.060 31.700 0.122 0.000 0.784 343 A N -1.675 121.479 122.820 0.558 0.000 2.044 343 A HA 0.093 4.413 4.320 -0.000 0.000 0.213 343 A C 2.074 179.894 177.584 0.393 0.000 1.169 343 A CA 0.412 52.698 52.037 0.416 0.000 0.724 343 A CB -0.879 18.275 19.000 0.258 0.000 0.840 343 A HN 0.140 nan 8.150 nan 0.000 0.463 344 L N -0.927 120.411 121.223 0.192 0.000 2.477 344 L HA 0.215 4.555 4.340 -0.000 0.000 0.220 344 L C 0.724 177.818 176.870 0.374 0.000 1.106 344 L CA 1.082 55.943 54.840 0.036 0.000 0.851 344 L CB -0.506 41.280 42.059 -0.454 0.000 0.994 344 L HN 0.562 nan 8.230 nan 0.000 0.462 345 N N -0.674 118.328 118.700 0.503 0.000 2.776 345 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 345 N C -0.587 175.175 175.510 0.419 0.000 1.111 345 N CA 0.956 54.324 53.050 0.530 0.000 0.711 345 N CB -1.271 37.653 38.487 0.728 0.000 1.065 345 N HN 0.231 nan 8.380 nan 0.000 0.556 346 V N -3.504 116.580 119.914 0.284 0.000 3.141 346 V HA 0.870 4.990 4.120 -0.000 0.000 0.312 346 V C 0.724 176.903 176.094 0.142 0.000 1.157 346 V CA -0.367 62.048 62.300 0.190 0.000 1.041 346 V CB 1.473 33.385 31.823 0.149 0.000 1.071 346 V HN 0.450 nan 8.190 nan 0.000 0.441 347 S N 0.204 115.951 115.700 0.078 0.000 2.579 347 S HA 0.160 4.630 4.470 -0.000 0.000 0.275 347 S C 1.389 176.050 174.600 0.102 0.000 1.345 347 S CA 0.392 58.632 58.200 0.066 0.000 1.031 347 S CB 0.869 64.083 63.200 0.023 0.000 0.892 347 S HN 1.713 nan 8.310 nan 0.000 0.529 348 T N -0.075 114.539 114.554 0.101 0.000 2.720 348 T HA -0.221 4.128 4.350 -0.000 0.000 0.268 348 T C 1.815 176.563 174.700 0.080 0.000 1.037 348 T CA 1.199 63.368 62.100 0.115 0.000 1.144 348 T CB -0.552 68.361 68.868 0.074 0.000 0.864 348 T HN 0.718 nan 8.240 nan 0.000 0.444 349 R N 1.137 121.667 120.500 0.049 0.000 2.103 349 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 349 R C 2.350 178.662 176.300 0.020 0.000 1.142 349 R CA 2.165 58.282 56.100 0.028 0.000 0.960 349 R CB -0.977 29.333 30.300 0.017 0.000 0.858 349 R HN 0.505 nan 8.270 nan 0.000 0.439 350 T N 0.340 114.908 114.554 0.024 0.000 2.737 350 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 350 T C 1.906 176.611 174.700 0.009 0.000 1.038 350 T CA 1.648 63.752 62.100 0.007 0.000 1.144 350 T CB -0.263 68.611 68.868 0.010 0.000 0.866 350 T HN 0.509 nan 8.240 nan 0.000 0.434 351 S N 1.923 117.658 115.700 0.059 0.000 2.419 351 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 351 S C 1.844 176.473 174.600 0.049 0.000 1.016 351 S CA 0.702 58.955 58.200 0.089 0.000 0.974 351 S CB -0.362 62.996 63.200 0.264 0.000 0.786 351 S HN 0.381 nan 8.310 nan 0.000 0.492 352 E N 1.901 122.124 120.200 0.039 0.000 2.023 352 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 352 E C 2.259 178.832 176.600 -0.045 0.000 1.003 352 E CA 1.149 57.555 56.400 0.010 0.000 0.809 352 E CB -0.473 29.235 29.700 0.012 0.000 0.755 352 E HN 0.614 nan 8.360 nan 0.000 0.449 353 R N 0.619 121.083 120.500 -0.059 0.000 2.083 353 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 353 R C 2.500 178.681 176.300 -0.199 0.000 1.137 353 R CA 1.242 57.280 56.100 -0.103 0.000 0.951 353 R CB -0.417 29.834 30.300 -0.082 0.000 0.851 353 R HN 0.104 nan 8.270 nan 0.000 0.434 354 L N 1.224 122.309 121.223 -0.229 0.000 2.127 354 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 354 L C 2.804 179.307 176.870 -0.612 0.000 1.089 354 L CA 2.500 57.067 54.840 -0.455 0.000 0.757 354 L CB -0.892 40.956 42.059 -0.351 0.000 0.899 354 L HN 0.228 nan 8.230 nan 0.000 0.434 355 R N -0.326 119.996 120.500 -0.296 0.000 2.070 355 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 355 R C 1.979 178.185 176.300 -0.157 0.000 1.138 355 R CA 1.895 57.891 56.100 -0.173 0.000 0.936 355 R CB -1.847 28.429 30.300 -0.040 0.000 0.839 355 R HN 0.575 nan 8.270 nan 0.000 0.429 356 D N 0.795 121.111 120.400 -0.140 0.000 2.087 356 D HA -0.168 4.472 4.640 -0.000 0.000 0.192 356 D C 2.062 178.249 176.300 -0.188 0.000 0.993 356 D CA 1.572 55.503 54.000 -0.115 0.000 0.828 356 D CB -0.542 40.204 40.800 -0.090 0.000 0.968 356 D HN 0.326 nan 8.370 nan 0.000 0.448 357 L N 0.382 121.422 121.223 -0.304 0.000 2.137 357 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 357 L C 2.331 178.739 176.870 -0.770 0.000 1.085 357 L CA 1.631 56.166 54.840 -0.509 0.000 0.760 357 L CB -0.172 41.551 42.059 -0.560 0.000 0.893 357 L HN 0.194 nan 8.230 nan 0.000 0.434 358 H N -1.707 116.991 119.070 -0.619 0.000 2.333 358 H HA -0.147 4.409 4.556 -0.000 0.000 0.302 358 H C 2.483 177.727 175.328 -0.140 0.000 1.075 358 H CA 1.054 56.828 56.048 -0.457 0.000 1.348 358 H CB 0.072 29.680 29.762 -0.256 0.000 1.393 358 H HN 0.511 nan 8.280 nan 0.000 0.509 359 Q N 1.033 120.851 119.800 0.031 0.000 2.084 359 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 359 Q C 2.410 178.448 176.000 0.062 0.000 0.978 359 Q CA 1.886 57.719 55.803 0.050 0.000 0.844 359 Q CB -1.057 27.697 28.738 0.026 0.000 0.898 359 Q HN 0.650 nan 8.270 nan 0.000 0.426 360 S N -1.317 114.394 115.700 0.018 0.000 2.399 360 S HA -0.144 4.325 4.470 -0.000 0.000 0.231 360 S C 1.716 176.434 174.600 0.198 0.000 1.022 360 S CA 1.026 59.264 58.200 0.064 0.000 0.983 360 S CB -0.544 62.664 63.200 0.013 0.000 0.803 360 S HN 0.767 nan 8.310 nan 0.000 0.480 361 W N 2.766 124.093 121.300 0.045 0.000 2.468 361 W HA 0.256 4.916 4.660 -0.000 0.000 0.262 361 W C 1.408 177.935 176.519 0.013 0.000 1.241 361 W CA 0.314 57.676 57.345 0.029 0.000 1.232 361 W CB -0.973 28.505 29.460 0.029 0.000 1.124 361 W HN 0.489 nan 8.180 nan 0.000 0.597 362 K N 1.384 121.923 120.400 0.231 0.000 2.250 362 K HA 0.505 4.824 4.320 -0.000 0.000 0.280 362 K C 0.201 176.858 176.600 0.095 0.000 1.098 362 K CA 0.261 56.627 56.287 0.132 0.000 0.916 362 K CB -0.347 32.214 32.500 0.103 0.000 1.209 362 K HN 0.139 nan 8.250 nan 0.000 0.461 363 T N 0.000 114.600 114.554 0.076 0.000 3.816 363 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 363 T CA 0.000 62.133 62.100 0.056 0.000 1.349 363 T CB 0.000 68.904 68.868 0.060 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658