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 3ogm_1_H DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRXXX XXXXXXXXXX DATA SEQUENCE XXXPAHILAY YSLAGQRTDC PTTVRVLK 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.605 174.600 0.009 0.000 1.055 12 S CA 0.000 58.205 58.200 0.007 0.000 1.107 12 S CB 0.000 63.204 63.200 0.007 0.000 0.593 13 C N 3.151 122.457 119.300 0.010 0.000 2.534 13 C HA 0.748 5.208 4.460 -0.000 0.000 0.309 13 C C 0.520 175.517 174.990 0.013 0.000 1.072 13 C CA -0.451 58.574 59.018 0.012 0.000 1.441 13 C CB -0.302 27.446 27.740 0.013 0.000 1.906 13 C HN 0.697 nan 8.230 nan 0.000 0.429 14 V N 1.912 121.833 119.914 0.013 0.000 3.566 14 V HA 0.454 4.574 4.120 -0.000 0.000 0.301 14 V C 0.889 176.993 176.094 0.017 0.000 1.105 14 V CA -0.409 61.899 62.300 0.013 0.000 1.142 14 V CB 0.064 31.895 31.823 0.013 0.000 1.107 14 V HN 0.871 nan 8.190 nan 0.000 0.481 15 A N 1.415 124.245 122.820 0.017 0.000 2.320 15 A HA 0.626 4.946 4.320 -0.000 0.000 0.287 15 A C 0.525 178.126 177.584 0.028 0.000 1.181 15 A CA 0.153 52.203 52.037 0.021 0.000 0.831 15 A CB -0.013 18.997 19.000 0.016 0.000 1.102 15 A HN 1.214 nan 8.150 nan 0.000 0.513 16 T N -0.719 113.858 114.554 0.038 0.000 2.884 16 T HA 0.412 4.762 4.350 -0.000 0.000 0.277 16 T C 1.347 176.087 174.700 0.068 0.000 0.976 16 T CA -0.008 62.123 62.100 0.053 0.000 0.956 16 T CB 0.433 69.338 68.868 0.062 0.000 1.113 16 T HN 0.938 nan 8.240 nan 0.000 0.554 17 V N -0.811 119.165 119.914 0.103 0.000 2.469 17 V HA -0.115 4.004 4.120 -0.000 0.000 0.251 17 V C 2.240 178.406 176.094 0.119 0.000 1.064 17 V CA 2.135 64.517 62.300 0.137 0.000 1.066 17 V CB -1.490 30.491 31.823 0.263 0.000 0.667 17 V HN 0.969 nan 8.190 nan 0.000 0.461 18 D N 0.789 121.269 120.400 0.134 0.000 2.182 18 D HA -0.189 4.451 4.640 -0.000 0.000 0.201 18 D C 1.532 177.860 176.300 0.045 0.000 0.986 18 D CA 1.310 55.375 54.000 0.109 0.000 0.847 18 D CB -0.203 40.666 40.800 0.114 0.000 0.942 18 D HN 0.453 nan 8.370 nan 0.000 0.467 19 D N -0.745 119.678 120.400 0.038 0.000 2.352 19 D HA -0.016 4.624 4.640 -0.000 0.000 0.232 19 D C 0.935 177.237 176.300 0.003 0.000 1.055 19 D CA 0.196 54.208 54.000 0.019 0.000 0.891 19 D CB 1.051 41.863 40.800 0.020 0.000 0.897 19 D HN 0.137 nan 8.370 nan 0.000 0.529 20 V N -0.232 119.676 119.914 -0.009 0.000 3.406 20 V HA 0.019 4.139 4.120 -0.000 0.000 0.266 20 V C 1.172 177.227 176.094 -0.064 0.000 1.697 20 V CA -0.080 62.205 62.300 -0.025 0.000 1.046 20 V CB 0.689 32.504 31.823 -0.013 0.000 0.879 20 V HN -0.058 nan 8.190 nan 0.000 0.399 21 I N 1.069 121.573 120.570 -0.110 0.000 2.500 21 I HA -0.003 4.167 4.170 -0.000 0.000 0.252 21 I C 2.047 178.021 176.117 -0.238 0.000 1.142 21 I CA 1.752 62.899 61.300 -0.254 0.000 1.451 21 I CB -0.231 37.480 38.000 -0.481 0.000 1.093 21 I HN 0.362 nan 8.210 nan 0.000 0.430 22 E N -0.360 119.747 120.200 -0.154 0.000 2.331 22 E HA -0.294 4.055 4.350 -0.000 0.000 0.199 22 E C 1.816 178.376 176.600 -0.066 0.000 1.008 22 E CA 1.028 57.363 56.400 -0.109 0.000 0.843 22 E CB 0.026 29.687 29.700 -0.064 0.000 0.761 22 E HN 0.627 nan 8.360 nan 0.000 0.507 23 Q N -0.183 119.589 119.800 -0.045 0.000 2.389 23 Q HA -0.041 4.299 4.340 -0.000 0.000 0.201 23 Q C 2.200 178.253 176.000 0.089 0.000 0.956 23 Q CA 0.322 56.141 55.803 0.026 0.000 0.871 23 Q CB 0.337 29.094 28.738 0.032 0.000 0.990 23 Q HN 0.041 nan 8.270 nan 0.000 0.554 24 V N 1.370 121.290 119.914 0.011 0.000 2.317 24 V HA -0.353 3.767 4.120 -0.000 0.000 0.251 24 V C 2.410 178.551 176.094 0.078 0.000 1.065 24 V CA 2.115 64.424 62.300 0.014 0.000 1.049 24 V CB -0.638 31.133 31.823 -0.087 0.000 0.651 24 V HN 0.508 nan 8.190 nan 0.000 0.450 25 M N 1.458 121.026 119.600 -0.052 0.000 2.108 25 M HA -0.204 4.276 4.480 -0.000 0.000 0.257 25 M C 2.251 178.555 176.300 0.007 0.000 1.071 25 M CA 2.650 57.907 55.300 -0.073 0.000 1.093 25 M CB -0.945 31.559 32.600 -0.160 0.000 1.345 25 M HN 0.604 nan 8.290 nan 0.000 0.403 26 T N -2.580 111.983 114.554 0.016 0.000 3.077 26 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 26 T C 1.161 175.788 174.700 -0.120 0.000 1.146 26 T CA 1.023 63.089 62.100 -0.057 0.000 1.091 26 T CB -0.819 67.985 68.868 -0.106 0.000 0.892 26 T HN 0.518 nan 8.240 nan 0.000 0.533 27 Y N 0.562 120.840 120.300 -0.037 0.000 2.457 27 Y HA 0.487 5.037 4.550 -0.000 0.000 0.263 27 Y C 0.772 176.663 175.900 -0.015 0.000 1.164 27 Y CA -1.085 57.001 58.100 -0.024 0.000 1.274 27 Y CB 0.088 38.535 38.460 -0.021 0.000 1.097 27 Y HN 0.263 nan 8.280 nan 0.000 0.523 28 I N -0.079 120.551 120.570 0.101 0.000 2.312 28 I HA 0.059 4.229 4.170 -0.000 0.000 0.291 28 I C 1.186 177.319 176.117 0.026 0.000 1.031 28 I CA 0.149 61.490 61.300 0.067 0.000 1.293 28 I CB 1.484 39.524 38.000 0.067 0.000 1.403 28 I HN -0.022 nan 8.210 nan 0.000 0.484 29 T N 2.979 117.546 114.554 0.021 0.000 2.980 29 T HA -0.004 4.346 4.350 -0.000 0.000 0.239 29 T C 0.518 175.211 174.700 -0.012 0.000 1.011 29 T CA 0.247 62.343 62.100 -0.006 0.000 1.171 29 T CB -0.012 68.851 68.868 -0.007 0.000 0.873 29 T HN 0.630 nan 8.240 nan 0.000 0.431 30 D N 1.971 122.371 120.400 0.000 0.000 2.520 30 D HA 0.079 4.719 4.640 -0.000 0.000 0.243 30 D C -1.670 174.633 176.300 0.006 0.000 1.160 30 D CA -1.175 52.824 54.000 -0.003 0.000 0.877 30 D CB 1.414 42.222 40.800 0.013 0.000 1.150 30 D HN 0.155 nan 8.370 nan 0.000 0.494 31 P HA -0.181 nan 4.420 nan 0.000 0.216 31 P C 1.023 178.347 177.300 0.039 0.000 1.150 31 P CA 1.041 64.144 63.100 0.005 0.000 0.837 31 P CB 0.229 31.914 31.700 -0.025 0.000 0.786 32 K N -0.358 120.062 120.400 0.034 0.000 2.147 32 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 32 K C 1.410 178.048 176.600 0.063 0.000 1.049 32 K CA 1.256 57.571 56.287 0.047 0.000 0.936 32 K CB -0.917 31.605 32.500 0.038 0.000 0.722 32 K HN 0.266 nan 8.250 nan 0.000 0.446 33 D N -0.228 120.211 120.400 0.064 0.000 2.327 33 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 33 D C 1.853 178.221 176.300 0.112 0.000 0.989 33 D CA 0.180 54.232 54.000 0.086 0.000 0.873 33 D CB 0.265 41.113 40.800 0.079 0.000 0.955 33 D HN -0.037 nan 8.370 nan 0.000 0.515 34 R N 1.111 121.670 120.500 0.099 0.000 2.115 34 R HA -0.048 4.291 4.340 -0.000 0.000 0.230 34 R C 1.699 178.093 176.300 0.158 0.000 1.111 34 R CA 0.584 56.758 56.100 0.124 0.000 0.976 34 R CB -0.557 29.800 30.300 0.095 0.000 0.870 34 R HN 0.325 nan 8.270 nan 0.000 0.445 35 D N 0.186 120.666 120.400 0.134 0.000 2.084 35 D HA -0.109 4.530 4.640 -0.000 0.000 0.196 35 D C 1.703 178.085 176.300 0.136 0.000 0.985 35 D CA 1.963 56.046 54.000 0.139 0.000 0.826 35 D CB 0.323 41.186 40.800 0.106 0.000 0.978 35 D HN 0.214 nan 8.370 nan 0.000 0.456 36 S N 1.033 116.802 115.700 0.115 0.000 2.356 36 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 36 S C 2.325 177.013 174.600 0.147 0.000 1.032 36 S CA 1.400 59.662 58.200 0.103 0.000 1.005 36 S CB -0.507 62.739 63.200 0.077 0.000 0.867 36 S HN 0.288 nan 8.310 nan 0.000 0.449 37 A N 2.275 125.219 122.820 0.206 0.000 1.986 37 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 37 A C 2.450 180.271 177.584 0.395 0.000 1.171 37 A CA 2.093 54.338 52.037 0.347 0.000 0.640 37 A CB -1.232 17.988 19.000 0.367 0.000 0.811 37 A HN 0.912 nan 8.150 nan 0.000 0.451 38 S N -1.091 114.790 115.700 0.301 0.000 2.561 38 S HA 0.183 4.652 4.470 -0.000 0.000 0.225 38 S C 1.216 175.994 174.600 0.297 0.000 0.977 38 S CA 0.797 59.204 58.200 0.345 0.000 0.926 38 S CB -0.281 63.120 63.200 0.335 0.000 0.769 38 S HN 0.441 nan 8.310 nan 0.000 0.533 39 L N 1.413 122.739 121.223 0.172 0.000 2.693 39 L HA 0.318 4.658 4.340 -0.000 0.000 0.235 39 L C 1.669 178.533 176.870 -0.009 0.000 1.127 39 L CA 0.057 54.937 54.840 0.066 0.000 0.914 39 L CB 0.788 42.870 42.059 0.038 0.000 1.193 39 L HN 0.385 nan 8.230 nan 0.000 0.502 40 V N -2.019 117.867 119.914 -0.048 0.000 3.620 40 V HA 0.187 4.307 4.120 -0.000 0.000 0.286 40 V C 0.416 176.361 176.094 -0.248 0.000 1.288 40 V CA -0.117 62.033 62.300 -0.249 0.000 1.178 40 V CB -1.295 30.183 31.823 -0.575 0.000 0.986 40 V HN 0.612 nan 8.190 nan 0.000 0.431 41 C N -2.273 116.994 119.300 -0.055 0.000 2.060 41 C HA 0.084 4.544 4.460 -0.000 0.000 0.192 41 C C 1.192 176.271 174.990 0.149 0.000 0.893 41 C CA -0.219 58.801 59.018 0.004 0.000 1.072 41 C CB -0.137 27.574 27.740 -0.048 0.000 1.790 41 C HN 0.498 nan 8.230 nan 0.000 0.653 42 R N 0.685 121.264 120.500 0.131 0.000 2.070 42 R HA -0.060 4.280 4.340 -0.000 0.000 0.233 42 R C 2.500 178.978 176.300 0.297 0.000 1.137 42 R CA 2.198 58.415 56.100 0.195 0.000 0.945 42 R CB -0.330 30.046 30.300 0.125 0.000 0.845 42 R HN 0.724 nan 8.270 nan 0.000 0.430 43 R N -0.143 120.521 120.500 0.273 0.000 2.094 43 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 43 R C 2.098 178.578 176.300 0.301 0.000 1.137 43 R CA 1.951 58.210 56.100 0.265 0.000 0.943 43 R CB -0.412 30.047 30.300 0.266 0.000 0.850 43 R HN 0.315 nan 8.270 nan 0.000 0.433 44 W N 0.018 121.380 121.300 0.104 0.000 2.350 44 W HA -0.195 4.465 4.660 0.000 0.000 0.289 44 W C 2.070 178.672 176.519 0.139 0.000 1.215 44 W CA 0.917 58.325 57.345 0.104 0.000 1.236 44 W CB -0.654 28.864 29.460 0.096 0.000 1.130 44 W HN 0.135 nan 8.180 nan 0.000 0.541 45 F N 1.558 121.649 119.950 0.235 0.000 2.234 45 F HA -0.055 4.471 4.527 -0.000 0.000 0.296 45 F C 2.273 178.115 175.800 0.070 0.000 1.089 45 F CA 1.683 59.759 58.000 0.126 0.000 1.343 45 F CB -0.450 38.600 39.000 0.084 0.000 1.040 45 F HN -0.276 nan 8.300 nan 0.000 0.498 46 K N 0.955 121.353 120.400 -0.004 0.000 2.283 46 K HA -0.012 4.308 4.320 -0.000 0.000 0.202 46 K C 1.640 178.174 176.600 -0.110 0.000 1.048 46 K CA 1.543 57.751 56.287 -0.132 0.000 0.948 46 K CB -0.472 32.051 32.500 0.039 0.000 0.742 46 K HN 0.521 nan 8.250 nan 0.000 0.458 47 I N -0.304 120.233 120.570 -0.054 0.000 2.556 47 I HA -0.105 4.065 4.170 -0.000 0.000 0.251 47 I C 1.818 177.901 176.117 -0.057 0.000 1.105 47 I CA 1.012 62.270 61.300 -0.071 0.000 1.436 47 I CB -0.227 37.698 38.000 -0.124 0.000 1.139 47 I HN 0.232 nan 8.210 nan 0.000 0.438 48 D N 0.580 120.966 120.400 -0.023 0.000 2.116 48 D HA -0.281 4.359 4.640 -0.000 0.000 0.193 48 D C 2.251 178.593 176.300 0.069 0.000 0.998 48 D CA 1.982 56.010 54.000 0.046 0.000 0.836 48 D CB 0.028 40.900 40.800 0.121 0.000 0.951 48 D HN 0.170 nan 8.370 nan 0.000 0.449 49 S N -0.510 115.118 115.700 -0.119 0.000 2.369 49 S HA -0.288 4.182 4.470 -0.000 0.000 0.225 49 S C 1.921 176.537 174.600 0.028 0.000 1.043 49 S CA 1.875 59.975 58.200 -0.166 0.000 1.074 49 S CB -0.507 62.387 63.200 -0.509 0.000 0.962 49 S HN 0.424 nan 8.310 nan 0.000 0.433 50 E N -0.511 119.670 120.200 -0.032 0.000 2.371 50 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 50 E C 1.825 178.430 176.600 0.007 0.000 1.012 50 E CA 1.151 57.548 56.400 -0.006 0.000 0.860 50 E CB 0.077 29.759 29.700 -0.029 0.000 0.811 50 E HN 0.834 nan 8.360 nan 0.000 0.502 51 T N -1.846 112.713 114.554 0.008 0.000 3.040 51 T HA 0.139 4.488 4.350 -0.000 0.000 0.250 51 T C 0.830 175.522 174.700 -0.012 0.000 1.058 51 T CA -0.485 61.608 62.100 -0.011 0.000 0.988 51 T CB 0.197 69.047 68.868 -0.030 0.000 0.993 51 T HN -0.183 nan 8.240 nan 0.000 0.519 52 R N 1.664 122.178 120.500 0.022 0.000 2.590 52 R HA 0.221 4.561 4.340 -0.000 0.000 0.274 52 R C 0.990 177.212 176.300 -0.130 0.000 1.061 52 R CA 0.458 56.514 56.100 -0.073 0.000 1.081 52 R CB 0.337 30.525 30.300 -0.187 0.000 0.984 52 R HN 0.392 nan 8.270 nan 0.000 0.448 53 E N 1.268 121.383 120.200 -0.141 0.000 2.307 53 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 53 E C -0.045 176.474 176.600 -0.134 0.000 0.967 53 E CA -0.202 56.130 56.400 -0.114 0.000 1.042 53 E CB -0.154 29.501 29.700 -0.075 0.000 1.126 53 E HN 0.531 nan 8.360 nan 0.000 0.484 54 H N 1.140 120.097 119.070 -0.188 0.000 2.547 54 H HA 0.373 4.929 4.556 -0.000 0.000 0.362 54 H C -1.013 174.145 175.328 -0.284 0.000 1.181 54 H CA 0.148 56.080 56.048 -0.194 0.000 1.376 54 H CB 1.080 30.751 29.762 -0.151 0.000 1.488 54 H HN -0.136 nan 8.280 nan 0.000 0.583 55 V N 3.371 123.348 119.914 0.105 0.000 2.817 55 V HA 0.173 4.293 4.120 -0.000 0.000 0.303 55 V C -0.528 175.641 176.094 0.125 0.000 1.151 55 V CA -0.671 61.630 62.300 0.002 0.000 0.929 55 V CB 2.403 34.080 31.823 -0.243 0.000 1.030 55 V HN 0.906 nan 8.190 nan 0.000 0.427 56 T N 5.912 120.511 114.554 0.074 0.000 2.918 56 T HA 0.727 5.076 4.350 -0.000 0.000 0.286 56 T C -0.514 174.168 174.700 -0.030 0.000 1.026 56 T CA -0.497 61.612 62.100 0.015 0.000 1.031 56 T CB 1.598 70.439 68.868 -0.046 0.000 1.046 56 T HN 0.515 nan 8.240 nan 0.000 0.479 57 M N 1.884 121.435 119.600 -0.082 0.000 2.124 57 M HA 0.442 4.922 4.480 -0.000 0.000 0.280 57 M C 0.451 176.688 176.300 -0.104 0.000 0.954 57 M CA -0.735 54.518 55.300 -0.078 0.000 0.958 57 M CB 1.858 34.375 32.600 -0.138 0.000 1.611 57 M HN 0.796 nan 8.290 nan 0.000 0.449 58 A N 4.063 126.838 122.820 -0.074 0.000 2.218 58 A HA 0.406 4.726 4.320 -0.000 0.000 0.209 58 A C 0.279 177.789 177.584 -0.124 0.000 1.168 58 A CA 0.572 52.538 52.037 -0.119 0.000 0.804 58 A CB 0.319 19.243 19.000 -0.126 0.000 0.834 58 A HN 0.710 nan 8.150 nan 0.000 0.482 59 L N -0.569 120.613 121.223 -0.069 0.000 2.516 59 L HA 0.203 4.543 4.340 -0.000 0.000 0.267 59 L C 0.715 177.557 176.870 -0.048 0.000 0.957 59 L CA -0.923 53.884 54.840 -0.055 0.000 0.860 59 L CB 1.860 43.915 42.059 -0.006 0.000 1.265 59 L HN 0.357 nan 8.230 nan 0.000 0.403 60 C N 0.930 120.145 119.300 -0.142 0.000 2.511 60 C HA 0.044 4.504 4.460 -0.000 0.000 0.277 60 C C 1.500 176.550 174.990 0.100 0.000 1.451 60 C CA -0.076 58.901 59.018 -0.069 0.000 1.735 60 C CB -1.653 25.959 27.740 -0.214 0.000 1.704 60 C HN 0.777 nan 8.230 nan 0.000 0.571 61 Y N 0.087 120.443 120.300 0.093 0.000 2.457 61 Y HA 0.069 4.619 4.550 -0.000 0.000 0.263 61 Y C 2.699 178.648 175.900 0.081 0.000 1.164 61 Y CA 0.319 58.439 58.100 0.033 0.000 1.274 61 Y CB 0.101 38.460 38.460 -0.167 0.000 1.097 61 Y HN 0.266 nan 8.280 nan 0.000 0.523 62 T N 0.340 115.040 114.554 0.243 0.000 3.035 62 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 62 T C 0.208 175.061 174.700 0.254 0.000 1.109 62 T CA 0.817 63.067 62.100 0.250 0.000 1.119 62 T CB -0.204 68.785 68.868 0.201 0.000 0.900 62 T HN 0.315 nan 8.240 nan 0.000 0.503 63 A N -0.024 122.960 122.820 0.273 0.000 2.594 63 A HA 0.487 4.806 4.320 -0.000 0.000 0.301 63 A C -0.206 177.514 177.584 0.226 0.000 1.022 63 A CA -0.892 51.279 52.037 0.225 0.000 0.738 63 A CB 0.121 19.247 19.000 0.210 0.000 1.263 63 A HN 0.184 nan 8.150 nan 0.000 0.409 64 T N 2.550 117.164 114.554 0.100 0.000 2.902 64 T HA 0.331 4.681 4.350 -0.000 0.000 0.301 64 T C -1.651 172.955 174.700 -0.157 0.000 1.012 64 T CA -0.287 61.778 62.100 -0.057 0.000 1.151 64 T CB 0.260 69.097 68.868 -0.051 0.000 0.946 64 T HN 0.377 nan 8.240 nan 0.000 0.542 65 P HA -0.244 nan 4.420 nan 0.000 0.222 65 P C 1.228 178.459 177.300 -0.115 0.000 1.157 65 P CA 1.450 64.193 63.100 -0.595 0.000 0.905 65 P CB -0.006 31.194 31.700 -0.833 0.000 0.792 66 D N -1.814 118.514 120.400 -0.121 0.000 2.203 66 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 66 D C 2.101 178.414 176.300 0.022 0.000 0.997 66 D CA 1.039 55.019 54.000 -0.033 0.000 0.863 66 D CB -0.192 40.587 40.800 -0.035 0.000 0.928 66 D HN 0.028 nan 8.370 nan 0.000 0.458 67 R N -0.619 119.907 120.500 0.044 0.000 2.060 67 R HA -0.090 4.250 4.340 -0.000 0.000 0.225 67 R C 2.216 178.576 176.300 0.099 0.000 1.155 67 R CA 0.889 57.030 56.100 0.069 0.000 0.930 67 R CB -0.668 29.682 30.300 0.083 0.000 0.829 67 R HN 0.174 nan 8.270 nan 0.000 0.433 68 L N 1.085 122.418 121.223 0.184 0.000 2.056 68 L HA -0.358 3.982 4.340 -0.000 0.000 0.237 68 L C 2.354 179.348 176.870 0.206 0.000 1.106 68 L CA 2.797 57.793 54.840 0.260 0.000 0.829 68 L CB -1.061 41.251 42.059 0.420 0.000 0.924 68 L HN 0.472 nan 8.230 nan 0.000 0.447 69 S N -1.204 114.602 115.700 0.176 0.000 2.440 69 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 69 S C 1.916 176.563 174.600 0.079 0.000 1.010 69 S CA 1.126 59.403 58.200 0.128 0.000 0.972 69 S CB -0.445 62.816 63.200 0.102 0.000 0.774 69 S HN 0.587 nan 8.310 nan 0.000 0.501 70 R N 1.356 121.889 120.500 0.055 0.000 1.583 70 R HA 0.166 4.505 4.340 -0.000 0.000 0.125 70 R C 2.297 178.584 176.300 -0.023 0.000 0.977 70 R CA 0.662 56.774 56.100 0.019 0.000 1.738 70 R CB -0.480 29.832 30.300 0.019 0.000 0.679 70 R HN 0.377 nan 8.270 nan 0.000 0.652 71 R N -0.292 120.157 120.500 -0.085 0.000 2.459 71 R HA -0.259 4.081 4.340 -0.000 0.000 0.216 71 R C 0.122 176.188 176.300 -0.390 0.000 0.939 71 R CA 2.547 58.470 56.100 -0.294 0.000 0.742 71 R CB -0.996 29.078 30.300 -0.376 0.000 0.901 71 R HN 0.400 nan 8.270 nan 0.000 0.382 72 F N 0.061 120.002 119.950 -0.015 0.000 2.438 72 F HA 0.366 4.893 4.527 -0.001 0.000 0.315 72 F C -1.678 174.114 175.800 -0.013 0.000 1.258 72 F CA -2.397 55.587 58.000 -0.026 0.000 1.180 72 F CB 1.808 40.806 39.000 -0.003 0.000 1.412 72 F HN 0.120 nan 8.300 nan 0.000 0.544 73 P HA -0.061 nan 4.420 nan 0.000 0.229 73 P C -0.007 177.330 177.300 0.062 0.000 1.160 73 P CA 1.172 64.320 63.100 0.079 0.000 0.777 73 P CB 0.157 31.879 31.700 0.037 0.000 0.814 74 N N -0.646 118.090 118.700 0.059 0.000 2.380 74 N HA 0.158 4.898 4.740 -0.000 0.000 0.255 74 N C -0.087 175.425 175.510 0.004 0.000 1.158 74 N CA -0.314 52.750 53.050 0.023 0.000 0.878 74 N CB -0.061 38.431 38.487 0.010 0.000 1.138 74 N HN 0.076 nan 8.380 nan 0.000 0.509 75 L N 0.709 121.940 121.223 0.015 0.000 2.514 75 L HA 0.009 4.349 4.340 -0.000 0.000 0.280 75 L C 1.389 178.222 176.870 -0.062 0.000 1.223 75 L CA 0.507 55.323 54.840 -0.039 0.000 0.864 75 L CB 0.836 42.883 42.059 -0.020 0.000 1.118 75 L HN 0.246 nan 8.230 nan 0.000 0.494 76 R N 1.318 121.758 120.500 -0.100 0.000 2.102 76 R HA 0.074 4.413 4.340 -0.000 0.000 0.208 76 R C 0.349 176.564 176.300 -0.141 0.000 1.131 76 R CA 0.478 56.519 56.100 -0.100 0.000 1.054 76 R CB 0.297 30.543 30.300 -0.090 0.000 0.954 76 R HN 0.703 nan 8.270 nan 0.000 0.465 77 S N -0.153 115.416 115.700 -0.218 0.000 2.578 77 S HA 0.633 5.103 4.470 -0.000 0.000 0.301 77 S C -0.918 173.433 174.600 -0.415 0.000 1.091 77 S CA -0.773 57.230 58.200 -0.328 0.000 1.032 77 S CB 1.282 64.214 63.200 -0.447 0.000 1.064 77 S HN 0.077 nan 8.310 nan 0.000 0.508 78 L N 1.843 122.841 121.223 -0.376 0.000 2.303 78 L HA 0.824 5.164 4.340 -0.000 0.000 0.256 78 L C -1.284 175.395 176.870 -0.318 0.000 1.034 78 L CA -0.454 54.192 54.840 -0.323 0.000 0.832 78 L CB 1.943 43.899 42.059 -0.172 0.000 1.403 78 L HN 0.918 nan 8.230 nan 0.000 0.419 79 K N 2.764 123.027 120.400 -0.229 0.000 2.619 79 K HA 0.602 4.922 4.320 -0.000 0.000 0.251 79 K C -2.265 174.226 176.600 -0.181 0.000 0.987 79 K CA -0.417 55.759 56.287 -0.185 0.000 0.844 79 K CB 1.153 33.558 32.500 -0.158 0.000 1.237 79 K HN 0.718 nan 8.250 nan 0.000 0.447 80 L N 3.811 124.956 121.223 -0.130 0.000 2.365 80 L HA 0.554 4.894 4.340 -0.000 0.000 0.273 80 L C -0.810 175.992 176.870 -0.112 0.000 1.000 80 L CA -0.994 53.711 54.840 -0.224 0.000 0.819 80 L CB 2.173 43.987 42.059 -0.408 0.000 1.284 80 L HN 0.502 nan 8.230 nan 0.000 0.418 81 K N 0.789 121.099 120.400 -0.150 0.000 2.207 81 K HA 0.633 4.953 4.320 -0.000 0.000 0.255 81 K C 0.316 176.848 176.600 -0.114 0.000 0.941 81 K CA -0.454 55.770 56.287 -0.105 0.000 0.825 81 K CB 2.385 34.809 32.500 -0.125 0.000 1.119 81 K HN 0.657 nan 8.250 nan 0.000 0.430 82 G N 1.725 110.487 108.800 -0.065 0.000 2.601 82 G HA2 0.093 4.053 3.960 -0.000 0.000 0.214 82 G HA3 0.093 4.053 3.960 -0.000 0.000 0.214 82 G C -0.476 174.491 174.900 0.111 0.000 2.067 82 G CA -0.306 44.795 45.100 0.000 0.000 0.774 82 G HN 0.419 nan 8.290 nan 0.000 0.729 83 K N 1.374 121.805 120.400 0.051 0.000 2.455 83 K HA 0.166 4.485 4.320 -0.000 0.000 0.269 83 K C -2.405 174.021 176.600 -0.290 0.000 0.972 83 K CA -0.808 55.274 56.287 -0.343 0.000 0.938 83 K CB 0.240 32.569 32.500 -0.286 0.000 0.931 83 K HN 0.101 nan 8.250 nan 0.000 0.507 84 P HA 0.085 nan 4.420 nan 0.000 0.274 84 P C -0.160 176.967 177.300 -0.288 0.000 1.231 84 P CA -0.293 62.652 63.100 -0.258 0.000 0.790 84 P CB 0.596 32.108 31.700 -0.315 0.000 0.951 85 R N 2.029 122.392 120.500 -0.228 0.000 2.241 85 R HA -0.073 4.267 4.340 -0.000 0.000 0.224 85 R C 1.807 178.103 176.300 -0.006 0.000 1.101 85 R CA 1.285 57.316 56.100 -0.114 0.000 0.995 85 R CB -1.024 29.240 30.300 -0.059 0.000 0.870 85 R HN 0.441 nan 8.270 nan 0.000 0.463 86 A N 1.951 124.581 122.820 -0.317 0.000 1.978 86 A HA -0.084 4.235 4.320 -0.000 0.000 0.220 86 A C 2.359 179.923 177.584 -0.033 0.000 1.170 86 A CA 1.625 53.453 52.037 -0.348 0.000 0.636 86 A CB -0.444 17.856 19.000 -1.167 0.000 0.810 86 A HN 0.404 nan 8.150 nan 0.000 0.448 87 A N 0.022 122.752 122.820 -0.150 0.000 2.206 87 A HA 0.134 4.454 4.320 -0.000 0.000 0.211 87 A C 1.873 179.413 177.584 -0.075 0.000 1.158 87 A CA 0.988 52.965 52.037 -0.099 0.000 0.761 87 A CB -0.685 18.200 19.000 -0.193 0.000 0.801 87 A HN 0.729 nan 8.150 nan 0.000 0.473 88 M N -2.955 116.590 119.600 -0.092 0.000 2.581 88 M HA 0.370 4.850 4.480 -0.000 0.000 0.224 88 M C -0.158 175.820 176.300 -0.536 0.000 1.171 88 M CA 0.697 55.827 55.300 -0.285 0.000 0.993 88 M CB -0.522 31.867 32.600 -0.352 0.000 1.685 88 M HN 0.231 nan 8.290 nan 0.000 0.479 89 F N -0.007 119.888 119.950 -0.090 0.000 2.781 89 F HA 0.348 4.875 4.527 -0.000 0.000 0.322 89 F C 0.572 176.350 175.800 -0.037 0.000 1.108 89 F CA -0.665 57.299 58.000 -0.060 0.000 1.179 89 F CB 0.250 39.213 39.000 -0.062 0.000 1.072 89 F HN 0.296 nan 8.300 nan 0.000 0.545 90 N N 1.736 120.486 118.700 0.082 0.000 2.756 90 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 90 N C 0.100 175.673 175.510 0.106 0.000 1.062 90 N CA 0.397 53.484 53.050 0.061 0.000 0.696 90 N CB -1.173 37.334 38.487 0.033 0.000 0.946 90 N HN 0.423 nan 8.380 nan 0.000 0.548 91 L N -0.890 120.414 121.223 0.136 0.000 2.731 91 L HA 0.304 4.644 4.340 -0.000 0.000 0.240 91 L C 0.659 177.707 176.870 0.296 0.000 1.120 91 L CA 0.181 55.150 54.840 0.216 0.000 0.913 91 L CB 0.251 42.447 42.059 0.228 0.000 1.213 91 L HN 0.139 nan 8.230 nan 0.000 0.515 92 I N -0.116 120.546 120.570 0.153 0.000 2.797 92 I HA 0.409 4.579 4.170 -0.000 0.000 0.307 92 I C -1.926 174.240 176.117 0.082 0.000 1.033 92 I CA -1.912 59.459 61.300 0.118 0.000 1.071 92 I CB 1.601 39.549 38.000 -0.086 0.000 1.255 92 I HN -0.220 nan 8.210 nan 0.000 0.445 93 P HA 0.109 nan 4.420 nan 0.000 0.285 93 P C 0.398 177.776 177.300 0.130 0.000 1.282 93 P CA -0.098 63.077 63.100 0.126 0.000 0.778 93 P CB 0.503 32.308 31.700 0.175 0.000 1.222 94 E N -0.495 119.782 120.200 0.128 0.000 2.434 94 E HA -0.013 4.337 4.350 -0.000 0.000 0.207 94 E C 0.506 177.195 176.600 0.148 0.000 0.929 94 E CA 0.408 56.875 56.400 0.112 0.000 1.001 94 E CB -0.389 29.358 29.700 0.078 0.000 1.016 94 E HN 0.565 nan 8.360 nan 0.000 0.502 95 N N -0.488 118.315 118.700 0.172 0.000 2.205 95 N HA 0.035 4.774 4.740 -0.000 0.000 0.201 95 N C 1.441 177.051 175.510 0.167 0.000 1.128 95 N CA -0.541 52.612 53.050 0.170 0.000 0.867 95 N CB -0.262 38.318 38.487 0.154 0.000 0.996 95 N HN 0.138 nan 8.380 nan 0.000 0.503 96 W N 2.717 124.024 121.300 0.012 0.000 2.332 96 W HA 0.026 4.686 4.660 -0.000 0.000 0.321 96 W C 0.888 177.360 176.519 -0.079 0.000 1.219 96 W CA 2.247 59.602 57.345 0.016 0.000 1.277 96 W CB -0.450 29.051 29.460 0.069 0.000 1.161 96 W HN 0.113 nan 8.180 nan 0.000 0.476 97 G N 0.378 109.465 108.800 0.478 0.000 3.284 97 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.665 97 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.665 97 G C -0.025 174.796 174.900 -0.132 0.000 0.894 97 G CA -0.408 44.680 45.100 -0.020 0.000 0.838 97 G HN 0.968 nan 8.290 nan 0.000 0.501 98 G N 1.715 110.554 108.800 0.065 0.000 2.530 98 G HA2 0.506 4.466 3.960 -0.000 0.000 0.313 98 G HA3 0.506 4.466 3.960 -0.000 0.000 0.313 98 G C 0.152 174.983 174.900 -0.115 0.000 0.971 98 G CA -0.524 44.511 45.100 -0.109 0.000 1.237 98 G HN 0.685 nan 8.290 nan 0.000 0.446 99 Y N 1.692 122.025 120.300 0.055 0.000 2.359 99 Y HA 0.128 4.678 4.550 -0.000 0.000 0.330 99 Y C 1.157 177.074 175.900 0.028 0.000 1.143 99 Y CA -0.452 57.678 58.100 0.050 0.000 1.318 99 Y CB 2.141 40.652 38.460 0.085 0.000 1.234 99 Y HN 0.240 nan 8.280 nan 0.000 0.522 100 V N 3.261 123.254 119.914 0.131 0.000 3.483 100 V HA -0.079 4.041 4.120 -0.000 0.000 0.301 100 V C 1.102 177.221 176.094 0.041 0.000 1.389 100 V CA 0.806 63.071 62.300 -0.059 0.000 1.101 100 V CB -0.230 31.222 31.823 -0.617 0.000 0.971 100 V HN 0.980 nan 8.190 nan 0.000 0.434 101 T N 1.483 116.078 114.554 0.069 0.000 2.732 101 T HA -0.053 4.297 4.350 -0.000 0.000 0.261 101 T C -0.297 174.404 174.700 0.002 0.000 1.040 101 T CA 1.669 63.781 62.100 0.020 0.000 1.145 101 T CB -0.958 67.891 68.868 -0.031 0.000 0.866 101 T HN 0.424 nan 8.240 nan 0.000 0.427 102 P HA -0.076 nan 4.420 nan 0.000 0.218 102 P C 0.634 177.790 177.300 -0.240 0.000 1.148 102 P CA 1.050 64.022 63.100 -0.214 0.000 0.822 102 P CB -0.202 31.265 31.700 -0.388 0.000 0.784 103 W N -0.320 120.985 121.300 0.008 0.000 2.441 103 W HA -0.065 4.595 4.660 -0.001 0.000 0.302 103 W C 2.258 178.815 176.519 0.063 0.000 1.191 103 W CA 0.791 58.157 57.345 0.036 0.000 1.327 103 W CB -1.299 28.179 29.460 0.031 0.000 1.128 103 W HN -0.229 nan 8.180 nan 0.000 0.522 104 V N -2.070 117.999 119.914 0.257 0.000 2.970 104 V HA -0.138 3.981 4.120 -0.000 0.000 0.260 104 V C 1.515 177.677 176.094 0.113 0.000 1.100 104 V CA 2.240 64.657 62.300 0.195 0.000 1.122 104 V CB -1.094 30.831 31.823 0.170 0.000 0.721 104 V HN 0.095 nan 8.190 nan 0.000 0.483 105 T N 0.426 115.022 114.554 0.069 0.000 2.851 105 T HA -0.056 4.294 4.350 -0.000 0.000 0.262 105 T C 1.765 176.486 174.700 0.034 0.000 1.043 105 T CA 1.757 63.875 62.100 0.031 0.000 1.140 105 T CB -0.149 68.716 68.868 -0.006 0.000 0.872 105 T HN 0.564 nan 8.240 nan 0.000 0.446 106 E N 0.884 121.107 120.200 0.038 0.000 2.150 106 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 106 E C 1.896 178.549 176.600 0.090 0.000 0.985 106 E CA 0.740 57.170 56.400 0.051 0.000 0.814 106 E CB -0.354 29.369 29.700 0.039 0.000 0.752 106 E HN 0.495 nan 8.360 nan 0.000 0.466 107 I N -0.393 120.252 120.570 0.126 0.000 2.286 107 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 107 I C 2.391 178.550 176.117 0.070 0.000 1.104 107 I CA 1.130 62.497 61.300 0.110 0.000 1.397 107 I CB -0.278 37.806 38.000 0.140 0.000 1.072 107 I HN 0.095 nan 8.210 nan 0.000 0.417 108 S N 0.808 116.547 115.700 0.064 0.000 2.399 108 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 108 S C 1.820 176.438 174.600 0.029 0.000 1.022 108 S CA 1.708 59.932 58.200 0.041 0.000 0.983 108 S CB -0.174 63.048 63.200 0.036 0.000 0.803 108 S HN 0.404 nan 8.310 nan 0.000 0.480 109 N N 1.055 119.774 118.700 0.032 0.000 2.428 109 N HA 0.199 4.939 4.740 -0.000 0.000 0.181 109 N C 1.078 176.603 175.510 0.025 0.000 1.028 109 N CA 0.858 53.922 53.050 0.023 0.000 0.877 109 N CB -0.362 38.135 38.487 0.016 0.000 1.064 109 N HN 0.548 nan 8.380 nan 0.000 0.434 110 N N -0.381 118.341 118.700 0.037 0.000 2.143 110 N HA 0.240 4.980 4.740 -0.000 0.000 0.222 110 N C -0.392 175.147 175.510 0.049 0.000 1.264 110 N CA 0.039 53.112 53.050 0.039 0.000 0.897 110 N CB 1.550 40.060 38.487 0.039 0.000 1.092 110 N HN -0.040 nan 8.380 nan 0.000 0.516 111 L N 1.625 122.880 121.223 0.054 0.000 3.047 111 L HA 0.323 4.663 4.340 -0.000 0.000 0.242 111 L C 0.789 177.677 176.870 0.030 0.000 1.315 111 L CA 0.040 54.911 54.840 0.052 0.000 1.042 111 L CB 0.132 42.233 42.059 0.071 0.000 1.420 111 L HN -0.007 nan 8.230 nan 0.000 0.517 112 R N 0.001 120.514 120.500 0.023 0.000 2.395 112 R HA -0.060 4.280 4.340 -0.000 0.000 0.202 112 R C 0.862 177.164 176.300 0.003 0.000 1.088 112 R CA 0.487 56.594 56.100 0.012 0.000 1.090 112 R CB 0.178 30.483 30.300 0.010 0.000 0.876 112 R HN 0.476 nan 8.270 nan 0.000 0.477 113 Q N -0.134 119.666 119.800 0.001 0.000 2.171 113 Q HA 0.131 4.471 4.340 -0.000 0.000 0.218 113 Q C -0.467 175.519 176.000 -0.025 0.000 0.822 113 Q CA -0.251 55.545 55.803 -0.011 0.000 0.987 113 Q CB 0.704 29.436 28.738 -0.010 0.000 1.144 113 Q HN 0.127 nan 8.270 nan 0.000 0.494 114 L N 2.370 123.579 121.223 -0.023 0.000 2.367 114 L HA 0.085 4.425 4.340 -0.000 0.000 0.275 114 L C 1.185 178.025 176.870 -0.051 0.000 1.129 114 L CA 0.812 55.626 54.840 -0.044 0.000 0.839 114 L CB 0.768 42.807 42.059 -0.034 0.000 1.133 114 L HN 0.091 nan 8.230 nan 0.000 0.453 115 K N 1.037 121.395 120.400 -0.070 0.000 2.491 115 K HA 0.231 4.551 4.320 -0.000 0.000 0.211 115 K C 0.015 176.564 176.600 -0.086 0.000 1.210 115 K CA -0.112 56.135 56.287 -0.065 0.000 1.003 115 K CB 0.646 33.112 32.500 -0.056 0.000 1.009 115 K HN 0.426 nan 8.250 nan 0.000 0.577 116 S N 0.765 116.396 115.700 -0.116 0.000 2.571 116 S HA 0.525 4.994 4.470 -0.000 0.000 0.284 116 S C -1.467 173.015 174.600 -0.196 0.000 1.128 116 S CA -0.514 57.598 58.200 -0.146 0.000 0.970 116 S CB 1.960 65.077 63.200 -0.139 0.000 1.039 116 S HN 0.039 nan 8.310 nan 0.000 0.485 117 V N 5.407 125.171 119.914 -0.250 0.000 2.638 117 V HA 0.533 4.653 4.120 -0.000 0.000 0.306 117 V C -1.109 174.711 176.094 -0.457 0.000 1.052 117 V CA -0.659 61.410 62.300 -0.384 0.000 0.885 117 V CB 1.889 33.424 31.823 -0.480 0.000 0.999 117 V HN 0.972 nan 8.190 nan 0.000 0.424 118 H N 5.644 124.392 119.070 -0.536 0.000 2.866 118 H HA 0.489 5.045 4.556 -0.000 0.000 0.287 118 H C -1.613 173.531 175.328 -0.307 0.000 1.106 118 H CA -1.043 54.773 56.048 -0.386 0.000 1.396 118 H CB 0.577 30.216 29.762 -0.205 0.000 1.469 118 H HN 0.343 nan 8.280 nan 0.000 0.500 119 F N 3.480 123.488 119.950 0.097 0.000 2.394 119 F HA 0.475 5.002 4.527 -0.000 0.000 0.340 119 F C 0.877 176.738 175.800 0.102 0.000 1.105 119 F CA -0.647 57.382 58.000 0.048 0.000 1.124 119 F CB 0.949 39.930 39.000 -0.031 0.000 1.145 119 F HN 0.386 nan 8.300 nan 0.000 0.505 120 R N 2.331 122.993 120.500 0.270 0.000 2.532 120 R HA 0.438 4.778 4.340 -0.000 0.000 0.297 120 R C -0.078 176.261 176.300 0.065 0.000 0.984 120 R CA -0.718 55.480 56.100 0.164 0.000 0.884 120 R CB 0.937 31.317 30.300 0.133 0.000 1.182 120 R HN 0.776 nan 8.270 nan 0.000 0.442 121 R N 2.860 123.385 120.500 0.042 0.000 3.405 121 R HA -0.193 4.146 4.340 -0.000 0.000 0.258 121 R C -0.690 175.622 176.300 0.020 0.000 1.030 121 R CA 1.225 57.327 56.100 0.004 0.000 0.691 121 R CB -1.081 29.189 30.300 -0.051 0.000 1.093 121 R HN 0.587 nan 8.270 nan 0.000 0.448 122 M N -0.053 119.574 119.600 0.045 0.000 2.727 122 M HA 0.527 5.007 4.480 -0.000 0.000 0.300 122 M C -0.013 176.316 176.300 0.048 0.000 1.246 122 M CA -1.025 54.283 55.300 0.014 0.000 0.835 122 M CB 2.081 34.634 32.600 -0.079 0.000 1.755 122 M HN -0.049 nan 8.290 nan 0.000 0.473 123 I N 1.502 122.099 120.570 0.045 0.000 2.336 123 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 123 I C -0.912 175.283 176.117 0.131 0.000 0.991 123 I CA -0.856 60.527 61.300 0.139 0.000 1.227 123 I CB 1.426 39.558 38.000 0.219 0.000 1.366 123 I HN 0.253 nan 8.210 nan 0.000 0.466 124 V N 4.827 124.841 119.914 0.166 0.000 2.385 124 V HA 0.210 4.330 4.120 -0.000 0.000 0.277 124 V C 0.231 176.427 176.094 0.171 0.000 1.012 124 V CA -0.630 61.730 62.300 0.101 0.000 0.832 124 V CB 1.095 32.934 31.823 0.026 0.000 1.028 124 V HN 0.815 nan 8.190 nan 0.000 0.436 125 S N 2.438 118.211 115.700 0.121 0.000 2.560 125 S HA -0.021 4.449 4.470 -0.000 0.000 0.276 125 S C 1.155 175.835 174.600 0.133 0.000 1.350 125 S CA -0.228 58.042 58.200 0.118 0.000 1.024 125 S CB 0.589 63.825 63.200 0.060 0.000 0.864 125 S HN 0.785 nan 8.310 nan 0.000 0.536 126 D N 0.256 120.741 120.400 0.143 0.000 2.182 126 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 126 D C 1.802 178.143 176.300 0.070 0.000 0.986 126 D CA 0.667 54.737 54.000 0.117 0.000 0.847 126 D CB -0.131 40.730 40.800 0.102 0.000 0.942 126 D HN 0.349 nan 8.370 nan 0.000 0.467 127 L N 1.479 122.737 121.223 0.059 0.000 1.994 127 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 127 L C 1.401 178.297 176.870 0.042 0.000 1.071 127 L CA 2.143 57.008 54.840 0.042 0.000 0.745 127 L CB -0.786 41.289 42.059 0.028 0.000 0.892 127 L HN -0.012 nan 8.230 nan 0.000 0.431 128 D N -1.539 118.887 120.400 0.042 0.000 2.312 128 D HA -0.170 4.470 4.640 -0.000 0.000 0.211 128 D C 2.078 178.413 176.300 0.058 0.000 0.964 128 D CA 0.496 54.525 54.000 0.048 0.000 0.877 128 D CB -0.435 40.392 40.800 0.045 0.000 0.924 128 D HN 0.240 nan 8.370 nan 0.000 0.515 129 L N 1.010 122.256 121.223 0.040 0.000 1.989 129 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 129 L C 1.869 178.755 176.870 0.027 0.000 1.071 129 L CA 1.902 56.748 54.840 0.010 0.000 0.749 129 L CB -0.845 41.194 42.059 -0.034 0.000 0.890 129 L HN 0.036 nan 8.230 nan 0.000 0.431 130 D N -1.284 119.141 120.400 0.041 0.000 2.095 130 D HA -0.212 4.428 4.640 -0.000 0.000 0.192 130 D C 2.253 178.600 176.300 0.078 0.000 0.990 130 D CA 1.423 55.463 54.000 0.067 0.000 0.836 130 D CB -0.022 40.818 40.800 0.066 0.000 0.979 130 D HN 0.102 nan 8.370 nan 0.000 0.447 131 R N -0.057 120.478 120.500 0.059 0.000 2.224 131 R HA -0.246 4.094 4.340 -0.000 0.000 0.251 131 R C 2.532 178.866 176.300 0.056 0.000 1.123 131 R CA 1.650 57.780 56.100 0.050 0.000 0.944 131 R CB -1.154 29.173 30.300 0.045 0.000 0.910 131 R HN 0.388 nan 8.270 nan 0.000 0.440 132 L N 0.036 121.298 121.223 0.065 0.000 1.989 132 L HA -0.228 4.111 4.340 -0.000 0.000 0.211 132 L C 2.585 179.488 176.870 0.054 0.000 1.071 132 L CA 1.767 56.646 54.840 0.065 0.000 0.749 132 L CB -0.608 41.496 42.059 0.077 0.000 0.890 132 L HN 0.315 nan 8.230 nan 0.000 0.431 133 A N 0.023 122.885 122.820 0.070 0.000 1.873 133 A HA -0.294 4.025 4.320 -0.000 0.000 0.218 133 A C 2.236 179.891 177.584 0.118 0.000 1.193 133 A CA 2.271 54.375 52.037 0.112 0.000 0.629 133 A CB -0.537 18.561 19.000 0.162 0.000 0.826 133 A HN 0.455 nan 8.150 nan 0.000 0.447 134 K N -0.613 119.842 120.400 0.091 0.000 2.097 134 K HA -0.030 4.290 4.320 -0.000 0.000 0.206 134 K C 2.297 178.876 176.600 -0.035 0.000 1.049 134 K CA 1.107 57.362 56.287 -0.053 0.000 0.933 134 K CB -0.291 32.172 32.500 -0.062 0.000 0.717 134 K HN 0.467 nan 8.250 nan 0.000 0.442 135 A N 1.050 123.872 122.820 0.003 0.000 1.897 135 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 135 A C 2.066 179.652 177.584 0.004 0.000 1.181 135 A CA 1.245 53.284 52.037 0.004 0.000 0.620 135 A CB -0.132 18.880 19.000 0.020 0.000 0.821 135 A HN 0.042 nan 8.150 nan 0.000 0.443 136 R N -1.189 119.318 120.500 0.011 0.000 2.105 136 R HA 0.425 4.765 4.340 -0.000 0.000 0.214 136 R C 1.363 177.666 176.300 0.005 0.000 1.091 136 R CA 0.804 56.907 56.100 0.005 0.000 1.007 136 R CB -1.108 29.193 30.300 0.001 0.000 0.912 136 R HN 0.694 nan 8.270 nan 0.000 0.450 137 A N 0.978 123.810 122.820 0.020 0.000 5.778 137 A HA -0.373 3.947 4.320 -0.000 0.000 0.313 137 A C 1.127 178.726 177.584 0.026 0.000 1.849 137 A CA 1.478 53.537 52.037 0.036 0.000 0.746 137 A CB -1.506 17.502 19.000 0.012 0.000 1.308 137 A HN 0.423 nan 8.150 nan 0.000 0.397 138 D N -0.434 119.983 120.400 0.029 0.000 2.200 138 D HA -0.203 4.437 4.640 -0.000 0.000 0.192 138 D C 1.377 177.681 176.300 0.006 0.000 1.008 138 D CA 1.895 55.908 54.000 0.022 0.000 0.872 138 D CB -0.592 40.221 40.800 0.021 0.000 0.923 138 D HN 0.553 nan 8.370 nan 0.000 0.447 139 D N 0.273 120.673 120.400 -0.000 0.000 2.355 139 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 139 D C 1.198 177.487 176.300 -0.018 0.000 1.014 139 D CA 0.476 54.469 54.000 -0.010 0.000 0.862 139 D CB -0.663 40.129 40.800 -0.012 0.000 0.986 139 D HN 0.241 nan 8.370 nan 0.000 0.456 140 L N 1.420 122.631 121.223 -0.021 0.000 2.745 140 L HA -0.060 4.280 4.340 -0.000 0.000 0.273 140 L C 0.719 177.566 176.870 -0.038 0.000 1.156 140 L CA 0.478 55.295 54.840 -0.037 0.000 0.982 140 L CB 0.287 42.321 42.059 -0.041 0.000 1.295 140 L HN 0.005 nan 8.230 nan 0.000 0.483 141 E N 2.302 122.475 120.200 -0.046 0.000 2.476 141 E HA 0.078 4.427 4.350 -0.000 0.000 0.199 141 E C -0.070 176.499 176.600 -0.052 0.000 1.021 141 E CA 0.305 56.681 56.400 -0.040 0.000 0.907 141 E CB 0.548 30.227 29.700 -0.035 0.000 0.974 141 E HN 0.700 nan 8.360 nan 0.000 0.489 142 T N 0.263 114.773 114.554 -0.074 0.000 3.237 142 T HA 0.441 4.791 4.350 -0.000 0.000 0.319 142 T C -2.060 172.558 174.700 -0.138 0.000 1.037 142 T CA -0.752 61.292 62.100 -0.092 0.000 1.048 142 T CB 1.000 69.820 68.868 -0.080 0.000 1.081 142 T HN 0.004 nan 8.240 nan 0.000 0.455 143 L N 4.667 125.799 121.223 -0.151 0.000 2.372 143 L HA 0.674 5.014 4.340 -0.000 0.000 0.273 143 L C -0.826 175.902 176.870 -0.237 0.000 0.989 143 L CA -0.271 54.440 54.840 -0.215 0.000 0.841 143 L CB 1.273 43.218 42.059 -0.190 0.000 1.225 143 L HN 0.629 nan 8.230 nan 0.000 0.414 144 K N 6.298 126.501 120.400 -0.330 0.000 2.334 144 K HA 0.510 4.830 4.320 -0.000 0.000 0.265 144 K C -1.229 175.158 176.600 -0.356 0.000 1.039 144 K CA -0.293 55.750 56.287 -0.406 0.000 0.920 144 K CB 0.999 33.055 32.500 -0.739 0.000 1.160 144 K HN 0.541 nan 8.250 nan 0.000 0.451 145 L N 3.122 124.226 121.223 -0.198 0.000 2.264 145 L HA 0.266 4.606 4.340 -0.000 0.000 0.287 145 L C -0.460 176.412 176.870 0.003 0.000 1.039 145 L CA -0.494 54.306 54.840 -0.067 0.000 0.829 145 L CB 0.711 42.709 42.059 -0.101 0.000 1.211 145 L HN 0.487 nan 8.230 nan 0.000 0.427 146 D N 4.702 125.111 120.400 0.016 0.000 2.454 146 D HA 0.219 4.858 4.640 -0.000 0.000 0.247 146 D C -0.158 176.175 176.300 0.056 0.000 1.129 146 D CA -0.572 53.434 54.000 0.010 0.000 0.877 146 D CB 0.711 41.500 40.800 -0.018 0.000 1.082 146 D HN 0.345 nan 8.370 nan 0.000 0.537 147 K N 1.364 121.794 120.400 0.050 0.000 3.077 147 K HA -0.177 4.143 4.320 -0.000 0.000 0.264 147 K C -0.408 176.227 176.600 0.059 0.000 1.008 147 K CA 0.469 56.772 56.287 0.026 0.000 0.740 147 K CB -2.096 30.393 32.500 -0.019 0.000 1.273 147 K HN 0.391 nan 8.250 nan 0.000 0.477 148 C N -0.013 119.366 119.300 0.130 0.000 2.423 148 C HA 0.796 5.255 4.460 -0.000 0.000 0.378 148 C C 0.696 175.836 174.990 0.250 0.000 1.244 148 C CA -0.019 59.108 59.018 0.181 0.000 1.978 148 C CB 1.727 29.598 27.740 0.218 0.000 2.252 148 C HN 0.678 nan 8.230 nan 0.000 0.526 149 S N -1.232 114.631 115.700 0.273 0.000 2.587 149 S HA 0.707 5.176 4.470 -0.000 0.000 0.269 149 S C -0.247 174.517 174.600 0.273 0.000 1.154 149 S CA 0.410 58.739 58.200 0.214 0.000 0.824 149 S CB 1.023 64.265 63.200 0.070 0.000 1.118 149 S HN 2.505 nan 8.310 nan 0.000 0.462 150 G N 0.212 109.115 108.800 0.172 0.000 2.154 150 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.186 150 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.186 150 G C -0.262 174.788 174.900 0.249 0.000 1.000 150 G CA 0.168 45.379 45.100 0.185 0.000 0.664 150 G HN 1.713 nan 8.290 nan 0.000 0.513 151 F N 0.068 120.078 119.950 0.100 0.000 2.846 151 F HA 0.950 5.477 4.527 -0.000 0.000 0.388 151 F C 0.275 176.141 175.800 0.108 0.000 1.259 151 F CA -0.307 57.745 58.000 0.087 0.000 1.118 151 F CB 1.273 40.314 39.000 0.068 0.000 1.512 151 F HN 0.658 nan 8.300 nan 0.000 0.502 152 T N -4.106 110.537 114.554 0.150 0.000 2.786 152 T HA 0.219 4.569 4.350 -0.000 0.000 0.316 152 T C 0.559 175.282 174.700 0.038 0.000 1.503 152 T CA -0.145 61.953 62.100 -0.004 0.000 1.019 152 T CB 0.631 69.520 68.868 0.035 0.000 1.415 152 T HN 1.256 nan 8.240 nan 0.000 0.496 153 T N -0.483 114.022 114.554 -0.082 0.000 2.718 153 T HA -0.267 4.083 4.350 -0.000 0.000 0.266 153 T C 1.240 175.943 174.700 0.005 0.000 1.033 153 T CA 2.488 64.547 62.100 -0.069 0.000 1.151 153 T CB -1.208 67.713 68.868 0.089 0.000 0.853 153 T HN 0.685 nan 8.240 nan 0.000 0.466 154 D N 1.762 122.184 120.400 0.037 0.000 2.177 154 D HA -0.084 4.556 4.640 -0.000 0.000 0.189 154 D C 2.464 178.774 176.300 0.016 0.000 1.002 154 D CA 1.943 55.963 54.000 0.034 0.000 0.845 154 D CB -1.202 39.624 40.800 0.043 0.000 0.960 154 D HN 0.598 nan 8.370 nan 0.000 0.447 155 G N 0.371 109.194 108.800 0.038 0.000 2.440 155 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 155 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 155 G C 1.757 176.616 174.900 -0.069 0.000 1.154 155 G CA 0.562 45.667 45.100 0.008 0.000 0.767 155 G HN 0.257 nan 8.290 nan 0.000 0.552 156 L N -0.351 120.800 121.223 -0.120 0.000 2.012 156 L HA -0.098 4.241 4.340 -0.000 0.000 0.210 156 L C 2.776 179.557 176.870 -0.148 0.000 1.073 156 L CA 1.079 55.752 54.840 -0.277 0.000 0.748 156 L CB -0.590 41.063 42.059 -0.677 0.000 0.891 156 L HN 0.289 nan 8.230 nan 0.000 0.431 157 L N -0.383 120.815 121.223 -0.042 0.000 1.989 157 L HA -0.242 4.098 4.340 -0.000 0.000 0.211 157 L C 2.783 179.600 176.870 -0.088 0.000 1.071 157 L CA 2.113 56.963 54.840 0.017 0.000 0.749 157 L CB -0.743 41.340 42.059 0.038 0.000 0.890 157 L HN 0.140 nan 8.230 nan 0.000 0.431 158 S N -0.385 115.249 115.700 -0.109 0.000 2.378 158 S HA -0.273 4.197 4.470 -0.000 0.000 0.229 158 S C 2.037 176.506 174.600 -0.219 0.000 1.052 158 S CA 2.259 60.347 58.200 -0.187 0.000 1.084 158 S CB -0.742 62.413 63.200 -0.074 0.000 0.950 158 S HN 0.615 nan 8.310 nan 0.000 0.440 159 I N 0.903 121.401 120.570 -0.121 0.000 2.761 159 I HA 0.059 4.229 4.170 -0.000 0.000 0.261 159 I C 1.873 177.945 176.117 -0.074 0.000 1.198 159 I CA 1.202 62.453 61.300 -0.082 0.000 1.482 159 I CB -0.514 37.442 38.000 -0.074 0.000 1.100 159 I HN 0.254 nan 8.210 nan 0.000 0.445 160 V N -0.988 118.880 119.914 -0.078 0.000 3.052 160 V HA -0.011 4.109 4.120 -0.000 0.000 0.254 160 V C 2.415 178.459 176.094 -0.083 0.000 1.100 160 V CA 1.361 63.635 62.300 -0.043 0.000 1.112 160 V CB -1.959 29.874 31.823 0.016 0.000 0.738 160 V HN 0.628 nan 8.190 nan 0.000 0.469 161 T N -1.078 113.374 114.554 -0.170 0.000 2.857 161 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 161 T C 1.565 176.211 174.700 -0.090 0.000 1.048 161 T CA 1.871 63.855 62.100 -0.194 0.000 1.139 161 T CB -0.779 67.922 68.868 -0.278 0.000 0.874 161 T HN 0.716 nan 8.240 nan 0.000 0.455 162 H N -0.893 118.179 119.070 0.002 0.000 2.586 162 H HA 0.431 4.987 4.556 -0.000 0.000 0.273 162 H C -0.051 175.280 175.328 0.006 0.000 0.997 162 H CA -0.744 55.309 56.048 0.008 0.000 1.177 162 H CB 0.218 29.983 29.762 0.004 0.000 1.471 162 H HN 0.323 nan 8.280 nan 0.000 0.538 163 C N 1.544 120.897 119.300 0.088 0.000 3.003 163 C HA 0.261 4.721 4.460 -0.000 0.000 0.241 163 C C 1.331 176.346 174.990 0.041 0.000 1.224 163 C CA -0.688 58.362 59.018 0.053 0.000 1.560 163 C CB -0.454 27.299 27.740 0.022 0.000 1.768 163 C HN 0.590 nan 8.230 nan 0.000 0.440 164 R N 0.563 121.098 120.500 0.058 0.000 2.313 164 R HA 0.034 4.373 4.340 -0.000 0.000 0.199 164 R C 0.883 177.213 176.300 0.050 0.000 0.958 164 R CA 0.613 56.754 56.100 0.068 0.000 1.047 164 R CB 0.215 30.572 30.300 0.095 0.000 0.955 164 R HN 0.545 nan 8.270 nan 0.000 0.481 165 K N 0.476 120.896 120.400 0.033 0.000 2.618 165 K HA 0.278 4.598 4.320 -0.000 0.000 0.207 165 K C -0.120 176.486 176.600 0.009 0.000 1.058 165 K CA -0.192 56.107 56.287 0.020 0.000 1.086 165 K CB 0.822 33.331 32.500 0.014 0.000 0.827 165 K HN -0.002 nan 8.250 nan 0.000 0.481 166 I N 1.278 121.854 120.570 0.010 0.000 2.872 166 I HA -0.141 4.028 4.170 -0.000 0.000 0.291 166 I C 1.094 177.211 176.117 -0.000 0.000 1.216 166 I CA 0.924 62.223 61.300 -0.002 0.000 1.424 166 I CB 0.861 38.859 38.000 -0.002 0.000 1.351 166 I HN 0.246 nan 8.210 nan 0.000 0.592 167 K N 1.435 121.829 120.400 -0.011 0.000 2.443 167 K HA 0.074 4.393 4.320 -0.000 0.000 0.200 167 K C 0.045 176.639 176.600 -0.011 0.000 1.278 167 K CA 0.267 56.549 56.287 -0.009 0.000 0.925 167 K CB 0.733 33.224 32.500 -0.015 0.000 1.225 167 K HN 0.786 nan 8.250 nan 0.000 0.514 168 T N -0.076 114.463 114.554 -0.025 0.000 2.881 168 T HA 0.589 4.939 4.350 -0.000 0.000 0.291 168 T C -1.392 173.283 174.700 -0.042 0.000 0.990 168 T CA -0.802 61.281 62.100 -0.028 0.000 0.976 168 T CB 1.277 70.122 68.868 -0.038 0.000 0.970 168 T HN -0.061 nan 8.240 nan 0.000 0.438 169 L N 4.923 126.136 121.223 -0.017 0.000 2.381 169 L HA 0.887 5.227 4.340 -0.000 0.000 0.274 169 L C -1.513 175.358 176.870 0.002 0.000 0.988 169 L CA -0.935 53.887 54.840 -0.029 0.000 0.824 169 L CB 1.716 43.774 42.059 -0.002 0.000 1.263 169 L HN 0.928 nan 8.230 nan 0.000 0.410 170 L N 5.024 126.226 121.223 -0.035 0.000 2.543 170 L HA 0.534 4.873 4.340 -0.000 0.000 0.265 170 L C -1.246 175.642 176.870 0.029 0.000 0.945 170 L CA -0.408 54.441 54.840 0.016 0.000 0.869 170 L CB 2.109 44.142 42.059 -0.043 0.000 1.294 170 L HN 0.808 nan 8.230 nan 0.000 0.405 171 M N 2.507 122.206 119.600 0.165 0.000 2.596 171 M HA 0.280 4.760 4.480 -0.000 0.000 0.364 171 M C 1.059 177.510 176.300 0.252 0.000 1.158 171 M CA -0.053 55.387 55.300 0.233 0.000 0.940 171 M CB 0.732 33.555 32.600 0.371 0.000 1.388 171 M HN 0.800 nan 8.290 nan 0.000 0.522 172 E N 2.768 123.078 120.200 0.183 0.000 2.598 172 E HA -0.323 4.027 4.350 -0.000 0.000 0.250 172 E C 0.341 177.021 176.600 0.134 0.000 1.037 172 E CA 2.566 59.065 56.400 0.165 0.000 1.274 172 E CB 0.062 29.821 29.700 0.099 0.000 1.177 172 E HN 0.686 nan 8.360 nan 0.000 0.490 173 E N -0.427 119.821 120.200 0.080 0.000 3.306 173 E HA 0.234 4.584 4.350 -0.000 0.000 0.197 173 E C -1.013 175.579 176.600 -0.014 0.000 0.980 173 E CA -0.382 56.023 56.400 0.008 0.000 1.259 173 E CB 1.394 31.074 29.700 -0.034 0.000 1.112 173 E HN 0.002 nan 8.360 nan 0.000 0.458 174 S N 0.551 116.293 115.700 0.069 0.000 2.608 174 S HA 0.266 4.736 4.470 -0.000 0.000 0.261 174 S C 0.253 174.728 174.600 -0.209 0.000 1.314 174 S CA -0.273 57.990 58.200 0.106 0.000 0.992 174 S CB 1.249 64.730 63.200 0.467 0.000 0.935 174 S HN 0.075 nan 8.310 nan 0.000 0.564 175 S N 1.486 117.030 115.700 -0.260 0.000 2.539 175 S HA 0.596 5.066 4.470 -0.000 0.000 0.235 175 S C -0.865 173.407 174.600 -0.546 0.000 1.326 175 S CA -0.794 57.120 58.200 -0.476 0.000 1.183 175 S CB -0.544 62.511 63.200 -0.242 0.000 1.073 175 S HN 0.518 nan 8.310 nan 0.000 0.480 176 F N 0.398 120.053 119.950 -0.492 0.000 2.679 176 F HA 0.772 5.299 4.527 -0.000 0.000 0.341 176 F C 0.107 175.690 175.800 -0.360 0.000 1.095 176 F CA -1.305 56.303 58.000 -0.654 0.000 1.004 176 F CB 0.917 39.271 39.000 -1.076 0.000 1.388 176 F HN 0.118 nan 8.300 nan 0.000 0.505 177 S N 0.409 116.171 115.700 0.104 0.000 2.422 177 S HA 0.136 4.606 4.470 -0.000 0.000 0.298 177 S C -0.348 174.346 174.600 0.157 0.000 1.118 177 S CA -0.539 57.723 58.200 0.102 0.000 1.083 177 S CB 0.332 63.553 63.200 0.036 0.000 0.971 177 S HN 0.597 nan 8.310 nan 0.000 0.478 178 E N 3.512 123.835 120.200 0.204 0.000 1.892 178 E HA 0.098 4.448 4.350 -0.000 0.000 0.271 178 E C 0.596 177.276 176.600 0.133 0.000 1.146 178 E CA -0.134 56.383 56.400 0.195 0.000 1.096 178 E CB 0.110 29.977 29.700 0.278 0.000 1.155 178 E HN 0.509 nan 8.360 nan 0.000 0.458 179 K N 1.424 121.882 120.400 0.097 0.000 2.044 179 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 179 K C 0.475 177.122 176.600 0.077 0.000 1.049 179 K CA 2.051 58.383 56.287 0.074 0.000 0.927 179 K CB 0.025 32.559 32.500 0.057 0.000 0.713 179 K HN 0.536 nan 8.250 nan 0.000 0.443 180 D N -4.491 115.970 120.400 0.102 0.000 3.145 180 D HA 0.154 4.793 4.640 -0.000 0.000 0.345 180 D C 0.297 176.643 176.300 0.077 0.000 1.391 180 D CA -0.541 53.504 54.000 0.075 0.000 0.930 180 D CB 0.290 41.112 40.800 0.036 0.000 1.451 180 D HN -0.113 nan 8.370 nan 0.000 0.555 181 G N -1.246 107.547 108.800 -0.012 0.000 3.159 181 G HA2 0.059 4.019 3.960 -0.000 0.000 0.232 181 G HA3 0.059 4.019 3.960 -0.000 0.000 0.232 181 G C 0.817 175.577 174.900 -0.234 0.000 1.116 181 G CA -0.203 44.811 45.100 -0.144 0.000 0.767 181 G HN 0.296 nan 8.290 nan 0.000 0.547 182 K N 0.618 120.967 120.400 -0.084 0.000 2.103 182 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 182 K C 2.203 178.757 176.600 -0.077 0.000 1.048 182 K CA 1.682 57.928 56.287 -0.068 0.000 0.930 182 K CB -0.178 32.308 32.500 -0.024 0.000 0.716 182 K HN 0.673 nan 8.250 nan 0.000 0.444 183 W N 0.437 121.669 121.300 -0.115 0.000 2.402 183 W HA -0.141 4.519 4.660 -0.001 0.000 0.286 183 W C 1.205 177.632 176.519 -0.153 0.000 1.221 183 W CA 0.555 57.810 57.345 -0.148 0.000 1.257 183 W CB -0.770 28.578 29.460 -0.187 0.000 1.120 183 W HN 0.016 nan 8.180 nan 0.000 0.551 184 L N 0.253 120.855 121.223 -1.036 0.000 2.240 184 L HA -0.134 4.205 4.340 -0.000 0.000 0.211 184 L C 2.654 179.275 176.870 -0.415 0.000 1.106 184 L CA 1.648 55.930 54.840 -0.931 0.000 0.793 184 L CB -0.606 40.723 42.059 -1.216 0.000 0.927 184 L HN 0.054 nan 8.230 nan 0.000 0.446 185 H N -0.788 118.066 119.070 -0.360 0.000 2.403 185 H HA -0.182 4.374 4.556 -0.000 0.000 0.298 185 H C 2.112 177.344 175.328 -0.159 0.000 1.059 185 H CA 1.371 57.296 56.048 -0.206 0.000 1.363 185 H CB 0.534 30.196 29.762 -0.167 0.000 1.410 185 H HN 0.185 nan 8.280 nan 0.000 0.528 186 E N 0.721 120.914 120.200 -0.011 0.000 2.058 186 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 186 E C 2.191 178.724 176.600 -0.111 0.000 0.997 186 E CA 1.177 57.517 56.400 -0.100 0.000 0.801 186 E CB -0.489 29.152 29.700 -0.098 0.000 0.746 186 E HN 0.516 nan 8.360 nan 0.000 0.450 187 L N -0.193 120.990 121.223 -0.067 0.000 1.989 187 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 187 L C 2.423 179.281 176.870 -0.020 0.000 1.071 187 L CA 1.432 56.256 54.840 -0.027 0.000 0.749 187 L CB -0.747 41.314 42.059 0.002 0.000 0.890 187 L HN 0.321 nan 8.230 nan 0.000 0.431 188 A N -0.436 122.340 122.820 -0.074 0.000 1.859 188 A HA -0.346 3.974 4.320 -0.000 0.000 0.218 188 A C 2.025 179.624 177.584 0.025 0.000 1.209 188 A CA 2.234 54.233 52.037 -0.063 0.000 0.639 188 A CB -0.934 17.960 19.000 -0.177 0.000 0.835 188 A HN 0.577 nan 8.150 nan 0.000 0.450 189 Q N -2.033 117.812 119.800 0.076 0.000 2.268 189 Q HA -0.251 4.089 4.340 -0.000 0.000 0.210 189 Q C 1.292 177.578 176.000 0.477 0.000 0.988 189 Q CA 1.893 57.859 55.803 0.271 0.000 0.883 189 Q CB -0.179 28.770 28.738 0.352 0.000 0.911 189 Q HN 0.922 nan 8.270 nan 0.000 0.430 190 H N -2.616 116.459 119.070 0.007 0.000 3.440 190 H HA 0.236 4.792 4.556 -0.000 0.000 0.259 190 H C -0.451 174.883 175.328 0.009 0.000 1.120 190 H CA -0.367 55.688 56.048 0.011 0.000 1.191 190 H CB 0.340 30.112 29.762 0.017 0.000 1.537 190 H HN 0.092 nan 8.280 nan 0.000 0.547 191 N N 0.377 119.156 118.700 0.131 0.000 2.421 191 N HA 0.189 4.929 4.740 -0.000 0.000 0.285 191 N C 0.328 175.867 175.510 0.048 0.000 1.027 191 N CA 0.085 53.181 53.050 0.077 0.000 0.918 191 N CB 1.276 39.799 38.487 0.060 0.000 1.152 191 N HN 0.039 nan 8.380 nan 0.000 0.485 192 T N -0.963 113.612 114.554 0.034 0.000 2.975 192 T HA 0.059 4.408 4.350 -0.000 0.000 0.257 192 T C 1.180 175.890 174.700 0.016 0.000 1.003 192 T CA -0.145 61.968 62.100 0.020 0.000 0.932 192 T CB 0.154 69.028 68.868 0.011 0.000 1.087 192 T HN 0.458 nan 8.240 nan 0.000 0.512 193 S N 1.404 117.115 115.700 0.019 0.000 2.458 193 S HA 0.231 4.701 4.470 -0.000 0.000 0.223 193 S C 0.635 175.242 174.600 0.013 0.000 1.019 193 S CA -0.382 57.825 58.200 0.013 0.000 0.937 193 S CB -0.459 62.748 63.200 0.012 0.000 0.788 193 S HN 0.196 nan 8.310 nan 0.000 0.511 194 L N 3.017 124.253 121.223 0.021 0.000 2.747 194 L HA -0.059 4.281 4.340 -0.000 0.000 0.286 194 L C 1.219 178.100 176.870 0.019 0.000 1.216 194 L CA 0.784 55.639 54.840 0.025 0.000 0.930 194 L CB -0.340 41.745 42.059 0.042 0.000 1.216 194 L HN 0.284 nan 8.230 nan 0.000 0.486 195 E N 2.236 122.443 120.200 0.012 0.000 2.228 195 E HA 0.144 4.494 4.350 -0.000 0.000 0.197 195 E C -0.409 176.197 176.600 0.009 0.000 0.909 195 E CA 0.305 56.709 56.400 0.006 0.000 0.911 195 E CB 0.875 30.573 29.700 -0.004 0.000 0.887 195 E HN 0.400 nan 8.360 nan 0.000 0.481 196 V N 1.755 121.673 119.914 0.007 0.000 2.525 196 V HA 0.477 4.597 4.120 -0.000 0.000 0.299 196 V C -1.853 174.252 176.094 0.019 0.000 1.034 196 V CA -0.851 61.452 62.300 0.004 0.000 0.863 196 V CB 1.652 33.465 31.823 -0.018 0.000 0.999 196 V HN 0.043 nan 8.190 nan 0.000 0.423 197 L N 6.191 127.434 121.223 0.034 0.000 2.349 197 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 197 L C -0.804 176.101 176.870 0.058 0.000 0.996 197 L CA 0.139 55.032 54.840 0.089 0.000 0.825 197 L CB 1.639 43.781 42.059 0.139 0.000 1.243 197 L HN 0.828 nan 8.230 nan 0.000 0.412 198 N N 5.158 123.936 118.700 0.130 0.000 2.653 198 N HA 0.253 4.993 4.740 -0.000 0.000 0.261 198 N C -1.529 174.121 175.510 0.233 0.000 1.216 198 N CA -0.336 52.745 53.050 0.051 0.000 0.784 198 N CB 0.477 38.959 38.487 -0.008 0.000 1.327 198 N HN 0.500 nan 8.380 nan 0.000 0.539 199 F N 2.387 122.422 119.950 0.142 0.000 2.664 199 F HA 0.398 4.925 4.527 -0.000 0.000 0.322 199 F C 0.860 176.844 175.800 0.308 0.000 1.324 199 F CA -0.963 57.199 58.000 0.270 0.000 1.154 199 F CB -0.186 39.068 39.000 0.424 0.000 1.236 199 F HN 0.117 nan 8.300 nan 0.000 0.532 200 Y N 2.013 122.308 120.300 -0.009 0.000 2.062 200 Y HA -0.105 4.445 4.550 -0.000 0.000 0.190 200 Y C 1.424 177.317 175.900 -0.011 0.000 0.914 200 Y CA 1.408 59.443 58.100 -0.108 0.000 0.887 200 Y CB 0.024 38.429 38.460 -0.092 0.000 0.893 200 Y HN 0.277 nan 8.280 nan 0.000 0.581 201 M N 2.323 121.722 119.600 -0.335 0.000 3.590 201 M HA 0.137 4.617 4.480 -0.000 0.000 0.214 201 M C -0.497 175.735 176.300 -0.112 0.000 1.306 201 M CA 0.101 55.212 55.300 -0.314 0.000 1.479 201 M CB -1.349 30.983 32.600 -0.447 0.000 1.083 201 M HN 0.420 nan 8.290 nan 0.000 0.617 202 T N -1.325 113.250 114.554 0.036 0.000 2.824 202 T HA 0.551 4.900 4.350 -0.000 0.000 0.280 202 T C -0.019 174.722 174.700 0.068 0.000 0.995 202 T CA -0.920 61.163 62.100 -0.029 0.000 1.009 202 T CB 1.937 70.797 68.868 -0.014 0.000 0.955 202 T HN 0.395 nan 8.240 nan 0.000 0.452 203 E N 1.870 122.025 120.200 -0.075 0.000 2.227 203 E HA 0.322 4.672 4.350 -0.000 0.000 0.282 203 E C -1.316 175.318 176.600 0.057 0.000 1.015 203 E CA -0.592 55.845 56.400 0.062 0.000 0.823 203 E CB 1.036 30.747 29.700 0.017 0.000 1.081 203 E HN 0.594 nan 8.360 nan 0.000 0.396 204 F N 1.271 121.401 119.950 0.300 0.000 2.564 204 F HA 0.257 4.784 4.527 -0.000 0.000 0.329 204 F C 0.270 176.175 175.800 0.175 0.000 1.458 204 F CA -0.679 57.517 58.000 0.325 0.000 1.117 204 F CB 0.972 40.253 39.000 0.469 0.000 1.383 204 F HN 0.557 nan 8.300 nan 0.000 0.571 205 A N 1.661 124.632 122.820 0.250 0.000 3.030 205 A HA 0.346 4.666 4.320 -0.000 0.000 0.273 205 A C 1.257 178.911 177.584 0.117 0.000 1.841 205 A CA 0.568 52.681 52.037 0.126 0.000 1.479 205 A CB -0.336 18.706 19.000 0.071 0.000 1.048 205 A HN 0.722 nan 8.150 nan 0.000 0.612 206 K N 0.476 120.951 120.400 0.125 0.000 2.473 206 K HA 0.163 4.483 4.320 -0.000 0.000 0.183 206 K C 0.166 176.756 176.600 -0.017 0.000 1.854 206 K CA 0.009 56.337 56.287 0.069 0.000 1.084 206 K CB 0.162 32.739 32.500 0.128 0.000 1.684 206 K HN 0.729 nan 8.250 nan 0.000 0.565 207 I N -0.037 120.500 120.570 -0.056 0.000 2.532 207 I HA 0.352 4.521 4.170 -0.000 0.000 0.292 207 I C 0.041 176.074 176.117 -0.140 0.000 1.014 207 I CA -0.589 60.604 61.300 -0.179 0.000 1.340 207 I CB 1.756 39.577 38.000 -0.298 0.000 1.422 207 I HN -0.113 nan 8.210 nan 0.000 0.528 208 S N 5.620 121.252 115.700 -0.114 0.000 2.404 208 S HA 0.365 4.835 4.470 -0.000 0.000 0.309 208 S C -1.377 173.221 174.600 -0.003 0.000 1.076 208 S CA -1.477 56.683 58.200 -0.067 0.000 1.095 208 S CB 0.625 63.808 63.200 -0.029 0.000 0.972 208 S HN 0.537 nan 8.310 nan 0.000 0.484 209 P HA -0.250 nan 4.420 nan 0.000 0.226 209 P C 1.213 178.584 177.300 0.119 0.000 1.154 209 P CA 1.505 64.759 63.100 0.257 0.000 0.901 209 P CB 0.124 31.925 31.700 0.169 0.000 0.788 210 K N -0.767 119.660 120.400 0.045 0.000 2.063 210 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 210 K C 1.645 178.218 176.600 -0.044 0.000 1.048 210 K CA 1.309 57.602 56.287 0.010 0.000 0.928 210 K CB -1.310 31.188 32.500 -0.003 0.000 0.713 210 K HN 0.262 nan 8.250 nan 0.000 0.442 211 D N 1.033 121.368 120.400 -0.108 0.000 2.228 211 D HA -0.160 4.480 4.640 -0.000 0.000 0.203 211 D C 1.868 178.094 176.300 -0.124 0.000 0.988 211 D CA 0.652 54.530 54.000 -0.203 0.000 0.864 211 D CB -0.028 40.593 40.800 -0.298 0.000 0.928 211 D HN 0.068 nan 8.370 nan 0.000 0.469 212 L N 0.952 122.135 121.223 -0.067 0.000 2.095 212 L HA -0.038 4.302 4.340 -0.000 0.000 0.204 212 L C 2.101 179.009 176.870 0.064 0.000 1.080 212 L CA 1.605 56.398 54.840 -0.078 0.000 0.759 212 L CB -0.435 41.477 42.059 -0.244 0.000 0.914 212 L HN -0.127 nan 8.230 nan 0.000 0.439 213 E N -0.951 119.302 120.200 0.089 0.000 2.038 213 E HA -0.296 4.053 4.350 -0.000 0.000 0.195 213 E C 2.099 178.754 176.600 0.092 0.000 1.000 213 E CA 2.008 58.507 56.400 0.165 0.000 0.803 213 E CB -0.247 29.517 29.700 0.107 0.000 0.750 213 E HN 0.639 nan 8.360 nan 0.000 0.448 214 T N -0.076 114.492 114.554 0.024 0.000 2.759 214 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 214 T C 1.910 176.618 174.700 0.013 0.000 1.042 214 T CA 1.463 63.562 62.100 -0.002 0.000 1.140 214 T CB -0.364 68.477 68.868 -0.046 0.000 0.864 214 T HN 0.212 nan 8.240 nan 0.000 0.455 215 I N 1.224 121.810 120.570 0.026 0.000 2.361 215 I HA -0.089 4.080 4.170 -0.000 0.000 0.251 215 I C 3.051 179.210 176.117 0.070 0.000 1.133 215 I CA 1.238 62.563 61.300 0.042 0.000 1.413 215 I CB -0.703 37.322 38.000 0.042 0.000 1.073 215 I HN 0.416 nan 8.210 nan 0.000 0.424 216 A N 1.583 124.469 122.820 0.110 0.000 1.970 216 A HA -0.167 4.152 4.320 -0.000 0.000 0.216 216 A C 2.307 179.879 177.584 -0.019 0.000 1.170 216 A CA 1.181 53.238 52.037 0.033 0.000 0.645 216 A CB -0.449 18.508 19.000 -0.073 0.000 0.816 216 A HN 0.529 nan 8.150 nan 0.000 0.447 217 R N -0.953 119.544 120.500 -0.004 0.000 2.310 217 R HA 0.128 4.468 4.340 -0.000 0.000 0.202 217 R C 0.699 176.993 176.300 -0.009 0.000 0.933 217 R CA 1.024 57.114 56.100 -0.017 0.000 1.054 217 R CB -0.172 30.120 30.300 -0.013 0.000 0.985 217 R HN 0.322 nan 8.270 nan 0.000 0.489 218 N N 0.061 118.761 118.700 0.000 0.000 2.482 218 N HA 0.048 4.788 4.740 -0.000 0.000 0.179 218 N C -0.393 175.119 175.510 0.003 0.000 1.039 218 N CA 0.341 53.392 53.050 0.003 0.000 0.884 218 N CB 0.392 38.886 38.487 0.011 0.000 1.113 218 N HN 0.092 nan 8.380 nan 0.000 0.440 219 C N 2.996 122.300 119.300 0.007 0.000 2.176 219 C HA 0.396 4.856 4.460 -0.000 0.000 0.329 219 C C 1.421 176.410 174.990 -0.003 0.000 1.113 219 C CA -0.804 58.220 59.018 0.009 0.000 1.562 219 C CB 0.055 27.810 27.740 0.024 0.000 2.040 219 C HN 0.237 nan 8.230 nan 0.000 0.460 220 R N 1.108 121.604 120.500 -0.007 0.000 2.161 220 R HA 0.016 4.355 4.340 -0.000 0.000 0.213 220 R C 1.545 177.837 176.300 -0.013 0.000 1.055 220 R CA 0.589 56.680 56.100 -0.015 0.000 0.996 220 R CB -0.571 29.719 30.300 -0.015 0.000 0.901 220 R HN 0.578 nan 8.270 nan 0.000 0.456 221 S N 1.120 116.816 115.700 -0.007 0.000 2.605 221 S HA 0.098 4.568 4.470 -0.000 0.000 0.217 221 S C 0.617 175.216 174.600 -0.002 0.000 0.958 221 S CA -0.448 57.749 58.200 -0.006 0.000 0.919 221 S CB -0.122 63.075 63.200 -0.005 0.000 0.780 221 S HN 0.070 nan 8.310 nan 0.000 0.507 222 L N 3.559 124.783 121.223 0.001 0.000 2.638 222 L HA 0.090 4.430 4.340 -0.000 0.000 0.273 222 L C 0.953 177.828 176.870 0.008 0.000 1.147 222 L CA 0.255 55.102 54.840 0.013 0.000 0.941 222 L CB 0.435 42.509 42.059 0.026 0.000 1.251 222 L HN 0.168 nan 8.230 nan 0.000 0.479 223 V N 0.680 120.601 119.914 0.011 0.000 3.570 223 V HA 0.366 4.486 4.120 -0.000 0.000 0.257 223 V C 0.664 176.770 176.094 0.020 0.000 1.272 223 V CA 0.527 62.832 62.300 0.009 0.000 1.079 223 V CB 0.216 32.038 31.823 -0.001 0.000 0.829 223 V HN 0.709 nan 8.190 nan 0.000 0.454 224 S N 1.285 116.996 115.700 0.018 0.000 2.672 224 S HA 0.697 5.167 4.470 -0.000 0.000 0.291 224 S C -0.981 173.618 174.600 -0.002 0.000 1.145 224 S CA -0.245 57.958 58.200 0.004 0.000 1.013 224 S CB 1.577 64.754 63.200 -0.040 0.000 1.017 224 S HN 0.995 nan 8.310 nan 0.000 0.487 225 V N 3.188 123.106 119.914 0.006 0.000 2.419 225 V HA 0.614 4.734 4.120 -0.000 0.000 0.287 225 V C -0.635 175.229 176.094 -0.383 0.000 1.017 225 V CA -0.937 61.305 62.300 -0.095 0.000 0.844 225 V CB 0.983 32.830 31.823 0.040 0.000 1.011 225 V HN 0.785 nan 8.190 nan 0.000 0.429 226 K N 3.344 123.475 120.400 -0.448 0.000 2.183 226 K HA 0.839 5.159 4.320 -0.000 0.000 0.274 226 K C -1.016 175.207 176.600 -0.629 0.000 1.009 226 K CA -0.666 55.251 56.287 -0.617 0.000 0.888 226 K CB 2.592 34.719 32.500 -0.622 0.000 1.078 226 K HN 0.533 nan 8.250 nan 0.000 0.459 227 V N 1.761 121.285 119.914 -0.649 0.000 3.114 227 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 227 V C 0.786 176.720 176.094 -0.268 0.000 1.168 227 V CA -0.343 61.485 62.300 -0.786 0.000 1.015 227 V CB 2.017 33.246 31.823 -0.991 0.000 1.050 227 V HN 0.969 nan 8.190 nan 0.000 0.433 228 G N 1.802 110.596 108.800 -0.010 0.000 2.248 228 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.168 228 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.168 228 G C 0.179 175.268 174.900 0.314 0.000 1.581 228 G CA 1.063 46.332 45.100 0.282 0.000 0.954 228 G HN 0.754 nan 8.290 nan 0.000 0.385 229 D N 0.297 120.976 120.400 0.465 0.000 3.008 229 D HA 0.241 4.880 4.640 -0.000 0.000 0.312 229 D C -0.575 175.956 176.300 0.386 0.000 1.361 229 D CA -0.145 54.080 54.000 0.374 0.000 0.858 229 D CB -0.094 40.882 40.800 0.294 0.000 1.098 229 D HN 0.140 nan 8.370 nan 0.000 0.482 230 F N 1.458 121.503 119.950 0.159 0.000 2.471 230 F HA 0.041 4.568 4.527 -0.000 0.000 0.365 230 F C 1.527 177.440 175.800 0.187 0.000 1.095 230 F CA -0.508 57.584 58.000 0.153 0.000 1.174 230 F CB 0.804 39.876 39.000 0.120 0.000 1.105 230 F HN -0.232 nan 8.300 nan 0.000 0.535 231 E N 4.245 124.613 120.200 0.280 0.000 2.585 231 E HA -0.074 4.276 4.350 -0.000 0.000 0.252 231 E C 1.234 178.023 176.600 0.314 0.000 0.981 231 E CA 0.137 56.698 56.400 0.268 0.000 0.943 231 E CB 0.386 30.195 29.700 0.181 0.000 0.923 231 E HN 0.491 nan 8.360 nan 0.000 0.486 232 I N 4.954 125.743 120.570 0.365 0.000 2.194 232 I HA -0.357 3.812 4.170 -0.000 0.000 0.246 232 I C 2.003 178.320 176.117 0.333 0.000 1.093 232 I CA 1.169 62.706 61.300 0.396 0.000 1.355 232 I CB -0.989 37.262 38.000 0.419 0.000 1.046 232 I HN 0.541 nan 8.210 nan 0.000 0.413 233 L N -0.059 121.312 121.223 0.247 0.000 2.261 233 L HA -0.163 4.177 4.340 -0.000 0.000 0.216 233 L C 2.233 179.197 176.870 0.156 0.000 1.114 233 L CA 1.165 56.095 54.840 0.149 0.000 0.777 233 L CB -1.001 41.084 42.059 0.044 0.000 0.910 233 L HN 0.233 nan 8.230 nan 0.000 0.440 234 E N 1.088 121.394 120.200 0.178 0.000 2.153 234 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 234 E C 1.813 178.530 176.600 0.195 0.000 0.988 234 E CA 0.998 57.496 56.400 0.164 0.000 0.811 234 E CB -0.143 29.657 29.700 0.166 0.000 0.746 234 E HN 0.573 nan 8.360 nan 0.000 0.466 235 L N 0.401 121.774 121.223 0.250 0.000 2.629 235 L HA 0.068 4.408 4.340 -0.000 0.000 0.230 235 L C 1.715 178.811 176.870 0.376 0.000 1.151 235 L CA -0.289 54.690 54.840 0.232 0.000 0.924 235 L CB 0.092 42.221 42.059 0.118 0.000 1.137 235 L HN -0.028 nan 8.230 nan 0.000 0.457 236 V N 1.041 121.141 119.914 0.310 0.000 2.358 236 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 236 V C 2.643 178.859 176.094 0.204 0.000 1.047 236 V CA 2.154 64.621 62.300 0.277 0.000 1.035 236 V CB -0.765 31.131 31.823 0.123 0.000 0.658 236 V HN 0.616 nan 8.190 nan 0.000 0.452 237 G N -0.776 108.116 108.800 0.152 0.000 2.448 237 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.219 237 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.219 237 G C 1.538 176.504 174.900 0.111 0.000 1.127 237 G CA 1.043 46.206 45.100 0.104 0.000 0.766 237 G HN 0.582 nan 8.290 nan 0.000 0.552 238 F N 0.137 120.064 119.950 -0.039 0.000 2.270 238 F HA 0.261 4.787 4.527 -0.000 0.000 0.295 238 F C 2.050 177.743 175.800 -0.177 0.000 1.087 238 F CA 0.468 58.388 58.000 -0.134 0.000 1.365 238 F CB -0.027 38.845 39.000 -0.214 0.000 1.056 238 F HN 0.074 nan 8.300 nan 0.000 0.506 239 F N 1.397 121.273 119.950 -0.124 0.000 2.408 239 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 239 F C 2.161 177.810 175.800 -0.251 0.000 1.090 239 F CA 1.045 58.879 58.000 -0.277 0.000 1.427 239 F CB -0.338 38.608 39.000 -0.090 0.000 1.070 239 F HN -0.069 nan 8.300 nan 0.000 0.549 240 K N 0.000 120.383 120.400 -0.029 0.000 2.021 240 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 240 K C 2.383 178.916 176.600 -0.111 0.000 1.047 240 K CA 1.161 57.417 56.287 -0.052 0.000 0.943 240 K CB -0.553 31.936 32.500 -0.019 0.000 0.725 240 K HN 0.199 nan 8.250 nan 0.000 0.439 241 A N 1.702 124.433 122.820 -0.149 0.000 1.969 241 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 241 A C 1.281 178.748 177.584 -0.196 0.000 1.169 241 A CA 1.091 53.043 52.037 -0.142 0.000 0.635 241 A CB -0.294 18.648 19.000 -0.097 0.000 0.810 241 A HN 0.303 nan 8.150 nan 0.000 0.445 242 A N -0.869 121.735 122.820 -0.361 0.000 2.309 242 A HA 0.652 4.972 4.320 -0.000 0.000 0.290 242 A C 0.861 178.325 177.584 -0.200 0.000 1.206 242 A CA 0.267 52.103 52.037 -0.335 0.000 0.850 242 A CB 0.548 19.178 19.000 -0.616 0.000 1.118 242 A HN 0.936 nan 8.150 nan 0.000 0.523 243 A N 2.644 125.395 122.820 -0.116 0.000 2.016 243 A HA 0.153 4.473 4.320 -0.000 0.000 0.202 243 A C 1.318 178.878 177.584 -0.041 0.000 1.632 243 A CA 0.436 52.432 52.037 -0.068 0.000 0.891 243 A CB -0.330 18.638 19.000 -0.054 0.000 1.103 243 A HN 0.653 nan 8.150 nan 0.000 0.547 244 N N 0.393 119.071 118.700 -0.037 0.000 2.635 244 N HA 0.005 4.745 4.740 -0.000 0.000 0.191 244 N C 0.151 175.654 175.510 -0.012 0.000 1.155 244 N CA 0.085 53.124 53.050 -0.020 0.000 0.927 244 N CB -0.615 37.861 38.487 -0.018 0.000 0.976 244 N HN 0.439 nan 8.380 nan 0.000 0.448 245 L N 1.151 122.361 121.223 -0.022 0.000 2.615 245 L HA -0.069 4.271 4.340 -0.000 0.000 0.271 245 L C 0.946 177.837 176.870 0.036 0.000 1.183 245 L CA 0.776 55.618 54.840 0.004 0.000 0.933 245 L CB 0.392 42.436 42.059 -0.023 0.000 1.199 245 L HN 0.194 nan 8.230 nan 0.000 0.487 246 E N 2.901 123.122 120.200 0.036 0.000 2.447 246 E HA 0.113 4.463 4.350 -0.000 0.000 0.204 246 E C -0.140 176.481 176.600 0.035 0.000 0.977 246 E CA 0.059 56.477 56.400 0.031 0.000 0.950 246 E CB 0.731 30.436 29.700 0.008 0.000 0.975 246 E HN 0.693 nan 8.360 nan 0.000 0.496 247 E N 0.187 120.419 120.200 0.054 0.000 2.356 247 E HA 0.456 4.806 4.350 -0.000 0.000 0.275 247 E C -1.829 174.858 176.600 0.144 0.000 0.904 247 E CA -0.672 55.752 56.400 0.042 0.000 0.757 247 E CB 1.827 31.504 29.700 -0.038 0.000 1.232 247 E HN -0.067 nan 8.360 nan 0.000 0.442 248 F N 2.857 122.767 119.950 -0.068 0.000 2.665 248 F HA 0.650 5.177 4.527 -0.000 0.000 0.308 248 F C -1.900 173.824 175.800 -0.127 0.000 1.112 248 F CA -0.351 57.621 58.000 -0.047 0.000 0.972 248 F CB 1.379 40.447 39.000 0.114 0.000 1.295 248 F HN 0.697 nan 8.300 nan 0.000 0.440 249 C N 2.876 121.601 119.300 -0.958 0.000 3.170 249 C HA 0.964 5.424 4.460 -0.000 0.000 0.319 249 C C 0.357 174.959 174.990 -0.647 0.000 1.260 249 C CA -0.242 58.406 59.018 -0.617 0.000 1.374 249 C CB 0.872 28.151 27.740 -0.768 0.000 1.739 249 C HN 1.583 nan 8.230 nan 0.000 0.479 250 G N 0.881 109.613 108.800 -0.114 0.000 2.568 250 G HA2 0.475 4.434 3.960 -0.000 0.000 0.222 250 G HA3 0.475 4.434 3.960 -0.000 0.000 0.222 250 G C 0.404 175.327 174.900 0.038 0.000 1.321 250 G CA 0.558 45.665 45.100 0.013 0.000 0.893 250 G HN 2.933 nan 8.290 nan 0.000 0.569 251 G N -1.811 107.034 108.800 0.075 0.000 2.513 251 G HA2 0.434 4.394 3.960 -0.000 0.000 0.227 251 G HA3 0.434 4.394 3.960 -0.000 0.000 0.227 251 G C 0.483 175.496 174.900 0.188 0.000 1.176 251 G CA 1.517 46.765 45.100 0.247 0.000 0.967 251 G HN 3.206 nan 8.290 nan 0.000 0.587 252 S N -1.561 114.283 115.700 0.240 0.000 2.586 252 S HA 0.516 4.985 4.470 -0.000 0.000 0.296 252 S C -0.766 173.993 174.600 0.264 0.000 1.120 252 S CA -0.132 58.242 58.200 0.289 0.000 0.927 252 S CB 0.870 64.331 63.200 0.434 0.000 1.114 252 S HN 1.328 nan 8.310 nan 0.000 0.453 253 L N 2.837 124.186 121.223 0.211 0.000 2.719 253 L HA 0.348 4.688 4.340 -0.000 0.000 0.236 253 L C -0.254 176.725 176.870 0.181 0.000 1.285 253 L CA -0.607 54.283 54.840 0.083 0.000 1.222 253 L CB -0.441 41.537 42.059 -0.135 0.000 1.493 253 L HN 0.606 nan 8.230 nan 0.000 0.415 254 N N 2.811 121.662 118.700 0.250 0.000 2.410 254 N HA 0.041 4.781 4.740 -0.000 0.000 0.281 254 N C 0.082 175.737 175.510 0.242 0.000 1.241 254 N CA 0.116 53.287 53.050 0.203 0.000 0.998 254 N CB 0.235 38.823 38.487 0.169 0.000 1.376 254 N HN 0.465 nan 8.380 nan 0.000 0.490 255 E N -0.300 120.037 120.200 0.228 0.000 2.133 255 E HA 0.296 4.646 4.350 -0.000 0.000 0.274 255 E C -0.950 175.741 176.600 0.152 0.000 0.930 255 E CA -1.088 55.478 56.400 0.277 0.000 0.770 255 E CB 0.640 30.573 29.700 0.389 0.000 1.104 255 E HN 0.369 nan 8.360 nan 0.000 0.403 256 D N 2.723 123.189 120.400 0.109 0.000 2.304 256 D HA 0.064 4.704 4.640 -0.000 0.000 0.247 256 D C 1.254 177.590 176.300 0.061 0.000 1.089 256 D CA -0.582 53.457 54.000 0.065 0.000 0.910 256 D CB 0.885 41.707 40.800 0.038 0.000 1.199 256 D HN 0.650 nan 8.370 nan 0.000 0.426 257 I N -0.648 119.952 120.570 0.049 0.000 2.361 257 I HA 0.032 4.201 4.170 -0.000 0.000 0.251 257 I C 1.827 177.965 176.117 0.035 0.000 1.133 257 I CA 1.050 62.377 61.300 0.046 0.000 1.413 257 I CB -0.591 37.431 38.000 0.037 0.000 1.073 257 I HN 0.474 nan 8.210 nan 0.000 0.424 258 G N 1.729 110.543 108.800 0.023 0.000 2.776 258 G HA2 0.088 4.048 3.960 -0.000 0.000 0.209 258 G HA3 0.088 4.048 3.960 -0.000 0.000 0.209 258 G C 0.887 175.789 174.900 0.004 0.000 1.145 258 G CA 0.073 45.181 45.100 0.012 0.000 0.791 258 G HN 0.276 nan 8.290 nan 0.000 0.530 259 M N 0.594 120.197 119.600 0.004 0.000 3.106 259 M HA 0.268 4.748 4.480 -0.000 0.000 0.213 259 M C -2.543 173.755 176.300 -0.003 0.000 1.117 259 M CA -2.484 52.803 55.300 -0.022 0.000 0.900 259 M CB 1.034 33.593 32.600 -0.068 0.000 1.339 259 M HN -0.163 nan 8.290 nan 0.000 0.542 260 P HA 0.077 nan 4.420 nan 0.000 0.258 260 P C -0.063 177.250 177.300 0.022 0.000 1.319 260 P CA 0.763 63.887 63.100 0.040 0.000 0.785 260 P CB 0.161 31.885 31.700 0.039 0.000 1.252 261 E N -1.256 118.935 120.200 -0.014 0.000 3.521 261 E HA 0.103 4.452 4.350 -0.000 0.000 0.183 261 E C 1.109 177.657 176.600 -0.087 0.000 0.981 261 E CA -0.122 56.260 56.400 -0.031 0.000 1.349 261 E CB 0.365 30.049 29.700 -0.027 0.000 1.102 261 E HN 0.034 nan 8.360 nan 0.000 0.449 262 K N -0.254 120.054 120.400 -0.153 0.000 2.063 262 K HA 0.015 4.335 4.320 -0.000 0.000 0.204 262 K C 0.913 177.299 176.600 -0.356 0.000 1.039 262 K CA 0.991 57.069 56.287 -0.348 0.000 0.957 262 K CB 0.209 32.331 32.500 -0.630 0.000 0.764 262 K HN 0.176 nan 8.250 nan 0.000 0.447 263 Y N -0.554 119.736 120.300 -0.018 0.000 2.503 263 Y HA 0.039 4.589 4.550 -0.000 0.000 0.278 263 Y C 1.838 177.697 175.900 -0.069 0.000 1.111 263 Y CA -0.116 57.958 58.100 -0.042 0.000 1.270 263 Y CB 0.219 38.676 38.460 -0.005 0.000 1.063 263 Y HN 0.109 nan 8.280 nan 0.000 0.548 264 M N 0.687 120.330 119.600 0.072 0.000 2.686 264 M HA -0.047 4.433 4.480 -0.000 0.000 0.246 264 M C -0.719 175.559 176.300 -0.036 0.000 1.096 264 M CA 1.038 56.353 55.300 0.025 0.000 1.076 264 M CB -1.011 31.610 32.600 0.035 0.000 1.504 264 M HN 0.017 nan 8.290 nan 0.000 0.524 265 N N 0.536 119.197 118.700 -0.065 0.000 2.976 265 N HA 0.342 5.082 4.740 -0.000 0.000 0.255 265 N C -1.711 173.706 175.510 -0.156 0.000 1.312 265 N CA -0.268 52.721 53.050 -0.102 0.000 0.897 265 N CB 0.864 39.299 38.487 -0.086 0.000 1.184 265 N HN 0.078 nan 8.380 nan 0.000 0.497 266 L N 2.054 123.130 121.223 -0.245 0.000 2.482 266 L HA 0.478 4.818 4.340 -0.000 0.000 0.263 266 L C -0.935 175.583 176.870 -0.586 0.000 0.957 266 L CA -0.989 53.589 54.840 -0.437 0.000 0.836 266 L CB 2.044 43.752 42.059 -0.585 0.000 1.324 266 L HN 0.090 nan 8.230 nan 0.000 0.406 267 V N 1.422 120.996 119.914 -0.567 0.000 2.383 267 V HA 0.531 4.651 4.120 -0.000 0.000 0.275 267 V C -0.410 175.315 176.094 -0.616 0.000 1.036 267 V CA -0.390 61.631 62.300 -0.465 0.000 0.889 267 V CB 0.777 32.468 31.823 -0.220 0.000 0.985 267 V HN 0.550 nan 8.190 nan 0.000 0.459 268 F N 4.995 124.683 119.950 -0.438 0.000 2.347 268 F HA 0.479 5.006 4.527 -0.000 0.000 0.366 268 F C -1.879 173.736 175.800 -0.309 0.000 1.107 268 F CA -2.503 55.214 58.000 -0.473 0.000 1.058 268 F CB 2.162 40.767 39.000 -0.657 0.000 1.236 268 F HN 0.411 nan 8.300 nan 0.000 0.456 269 P HA -0.094 nan 4.420 nan 0.000 0.238 269 P C 0.434 177.745 177.300 0.018 0.000 1.090 269 P CA 0.321 63.446 63.100 0.040 0.000 0.944 269 P CB 0.149 31.890 31.700 0.069 0.000 0.881 270 R N 3.736 124.221 120.500 -0.026 0.000 2.724 270 R HA -0.307 4.032 4.340 -0.000 0.000 0.397 270 R C 1.421 177.758 176.300 0.062 0.000 0.893 270 R CA 2.119 58.219 56.100 0.000 0.000 0.277 270 R CB -1.749 28.549 30.300 -0.003 0.000 0.596 270 R HN 0.392 nan 8.270 nan 0.000 0.234 271 K N 1.430 121.859 120.400 0.049 0.000 2.589 271 K HA 0.021 4.340 4.320 -0.000 0.000 0.195 271 K C 0.629 177.274 176.600 0.076 0.000 1.042 271 K CA 0.036 56.356 56.287 0.054 0.000 0.940 271 K CB -0.230 32.286 32.500 0.028 0.000 0.776 271 K HN 0.138 nan 8.250 nan 0.000 0.487 272 L N 1.117 122.414 121.223 0.124 0.000 2.565 272 L HA -0.055 4.285 4.340 -0.000 0.000 0.275 272 L C 0.843 177.769 176.870 0.094 0.000 1.137 272 L CA 0.436 55.356 54.840 0.133 0.000 0.915 272 L CB 0.022 42.195 42.059 0.189 0.000 1.232 272 L HN 0.427 nan 8.230 nan 0.000 0.473 273 C N 2.817 122.122 119.300 0.008 0.000 3.060 273 C HA 0.336 4.796 4.460 -0.000 0.000 0.548 273 C C 1.007 175.941 174.990 -0.092 0.000 1.317 273 C CA -0.591 58.392 59.018 -0.057 0.000 2.592 273 C CB 0.200 27.920 27.740 -0.034 0.000 3.519 273 C HN 0.706 nan 8.230 nan 0.000 0.524 274 R N 2.077 122.535 120.500 -0.070 0.000 2.265 274 R HA 0.685 5.025 4.340 -0.000 0.000 0.314 274 R C -0.459 175.783 176.300 -0.097 0.000 1.053 274 R CA 0.251 56.295 56.100 -0.093 0.000 0.931 274 R CB 1.156 31.404 30.300 -0.088 0.000 1.024 274 R HN 0.694 nan 8.270 nan 0.000 0.457 275 L N -1.241 119.904 121.223 -0.130 0.000 2.828 275 L HA 0.926 5.266 4.340 -0.000 0.000 0.264 275 L C -0.574 176.204 176.870 -0.153 0.000 1.106 275 L CA -1.022 53.746 54.840 -0.120 0.000 0.955 275 L CB 1.153 43.147 42.059 -0.108 0.000 1.558 275 L HN 0.509 nan 8.230 nan 0.000 0.386 276 G N 0.788 109.517 108.800 -0.118 0.000 3.391 276 G HA2 0.353 4.313 3.960 -0.000 0.000 0.257 276 G HA3 0.353 4.313 3.960 -0.000 0.000 0.257 276 G C -1.223 173.643 174.900 -0.056 0.000 3.853 276 G CA -0.686 44.338 45.100 -0.127 0.000 0.453 276 G HN 0.690 nan 8.290 nan 0.000 0.287 277 L N 1.557 122.767 121.223 -0.021 0.000 2.453 277 L HA 0.238 4.577 4.340 -0.000 0.000 0.272 277 L C 1.613 178.464 176.870 -0.032 0.000 1.182 277 L CA -0.118 54.748 54.840 0.043 0.000 0.858 277 L CB 1.221 43.297 42.059 0.029 0.000 1.120 277 L HN 0.505 nan 8.230 nan 0.000 0.474 278 S N 1.585 117.255 115.700 -0.050 0.000 2.110 278 S HA -0.087 4.382 4.470 -0.000 0.000 0.152 278 S C 0.764 175.238 174.600 -0.209 0.000 1.404 278 S CA 0.344 58.393 58.200 -0.252 0.000 2.390 278 S CB -0.165 62.751 63.200 -0.475 0.000 0.276 278 S HN 0.501 nan 8.310 nan 0.000 0.349 279 Y N 2.019 122.373 120.300 0.091 0.000 2.618 279 Y HA 0.100 4.649 4.550 -0.000 0.000 0.351 279 Y C 0.926 176.841 175.900 0.024 0.000 1.221 279 Y CA -0.212 57.926 58.100 0.064 0.000 1.248 279 Y CB -1.572 36.925 38.460 0.062 0.000 1.119 279 Y HN 0.337 nan 8.280 nan 0.000 0.483 280 M N 1.164 120.799 119.600 0.059 0.000 2.453 280 M HA 0.016 4.496 4.480 -0.000 0.000 0.420 280 M C 0.777 177.085 176.300 0.013 0.000 1.649 280 M CA 0.679 55.974 55.300 -0.008 0.000 0.937 280 M CB 0.026 32.592 32.600 -0.056 0.000 2.111 280 M HN 0.409 nan 8.290 nan 0.000 0.497 281 G N 5.252 114.055 108.800 0.005 0.000 2.532 281 G HA2 0.489 4.449 3.960 -0.000 0.000 0.291 281 G HA3 0.489 4.449 3.960 -0.000 0.000 0.291 281 G C -2.311 172.596 174.900 0.013 0.000 1.349 281 G CA -1.158 43.959 45.100 0.028 0.000 1.038 281 G HN 0.574 nan 8.290 nan 0.000 0.518 282 P HA -0.095 nan 4.420 nan 0.000 0.216 282 P C 1.529 178.859 177.300 0.051 0.000 1.153 282 P CA 1.023 64.151 63.100 0.046 0.000 0.848 282 P CB 0.147 31.883 31.700 0.060 0.000 0.787 283 N N 0.465 119.198 118.700 0.055 0.000 2.080 283 N HA -0.138 4.602 4.740 -0.000 0.000 0.189 283 N C 1.436 176.983 175.510 0.063 0.000 1.036 283 N CA 1.254 54.347 53.050 0.073 0.000 0.846 283 N CB -0.864 37.676 38.487 0.088 0.000 1.015 283 N HN 0.346 nan 8.380 nan 0.000 0.423 284 E N 1.864 122.069 120.200 0.008 0.000 2.472 284 E HA -0.146 4.203 4.350 -0.000 0.000 0.200 284 E C 1.942 178.510 176.600 -0.054 0.000 1.046 284 E CA 0.314 56.682 56.400 -0.052 0.000 0.871 284 E CB -0.593 28.915 29.700 -0.320 0.000 0.806 284 E HN 0.606 nan 8.360 nan 0.000 0.533 285 M N 0.901 120.466 119.600 -0.057 0.000 2.086 285 M HA 0.004 4.484 4.480 -0.000 0.000 0.261 285 M C -0.859 175.277 176.300 -0.273 0.000 1.067 285 M CA 1.308 56.516 55.300 -0.153 0.000 1.116 285 M CB -1.548 30.959 32.600 -0.154 0.000 1.348 285 M HN -0.149 nan 8.290 nan 0.000 0.407 286 P HA -0.211 nan 4.420 nan 0.000 0.219 286 P C 1.609 178.921 177.300 0.019 0.000 1.149 286 P CA 1.873 65.031 63.100 0.098 0.000 0.835 286 P CB -0.931 30.994 31.700 0.376 0.000 0.778 287 I N -4.897 115.688 120.570 0.025 0.000 3.102 287 I HA -0.128 4.041 4.170 -0.000 0.000 0.278 287 I C 1.249 177.497 176.117 0.219 0.000 1.316 287 I CA 1.371 62.736 61.300 0.109 0.000 1.425 287 I CB -0.661 37.405 38.000 0.110 0.000 1.073 287 I HN -0.049 nan 8.210 nan 0.000 0.503 288 L N -1.201 119.996 121.223 -0.043 0.000 2.672 288 L HA 0.221 4.561 4.340 -0.000 0.000 0.236 288 L C 1.823 178.589 176.870 -0.174 0.000 1.092 288 L CA 0.041 54.823 54.840 -0.097 0.000 0.887 288 L CB -0.203 41.609 42.059 -0.411 0.000 1.168 288 L HN 0.111 nan 8.230 nan 0.000 0.502 289 F N 0.888 120.903 119.950 0.108 0.000 2.134 289 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 289 F C -0.126 175.753 175.800 0.132 0.000 1.097 289 F CA 0.855 58.890 58.000 0.058 0.000 1.264 289 F CB -2.313 36.706 39.000 0.031 0.000 1.001 289 F HN 0.044 nan 8.300 nan 0.000 0.479 290 P HA -0.237 nan 4.420 nan 0.000 0.218 290 P C 0.555 178.081 177.300 0.377 0.000 1.152 290 P CA 1.744 65.029 63.100 0.308 0.000 0.857 290 P CB -0.376 31.462 31.700 0.231 0.000 0.787 291 F N -5.689 114.286 119.950 0.041 0.000 2.688 291 F HA 0.777 5.304 4.527 -0.000 0.000 0.376 291 F C 0.868 176.664 175.800 -0.008 0.000 1.428 291 F CA -0.851 57.159 58.000 0.016 0.000 1.156 291 F CB -0.031 38.975 39.000 0.010 0.000 1.141 291 F HN -0.272 nan 8.300 nan 0.000 0.521 292 A N 0.457 123.208 122.820 -0.115 0.000 2.220 292 A HA 0.502 4.822 4.320 -0.000 0.000 0.211 292 A C 2.080 179.588 177.584 -0.128 0.000 1.176 292 A CA 0.850 52.748 52.037 -0.232 0.000 0.834 292 A CB -0.288 18.640 19.000 -0.120 0.000 0.868 292 A HN 0.635 nan 8.150 nan 0.000 0.488 293 A N -0.424 122.367 122.820 -0.047 0.000 2.066 293 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 293 A C 2.019 179.579 177.584 -0.040 0.000 1.157 293 A CA 1.501 53.523 52.037 -0.024 0.000 0.670 293 A CB -0.335 18.671 19.000 0.011 0.000 0.804 293 A HN 0.620 nan 8.150 nan 0.000 0.453 294 Q N -0.378 119.386 119.800 -0.060 0.000 2.212 294 Q HA 0.039 4.378 4.340 -0.000 0.000 0.199 294 Q C 0.191 176.129 176.000 -0.104 0.000 0.950 294 Q CA 0.012 55.786 55.803 -0.048 0.000 0.863 294 Q CB -0.070 28.678 28.738 0.018 0.000 0.944 294 Q HN 0.488 nan 8.270 nan 0.000 0.465 295 I N 2.079 122.530 120.570 -0.197 0.000 2.845 295 I HA -0.175 3.995 4.170 -0.000 0.000 0.296 295 I C 1.243 177.286 176.117 -0.123 0.000 1.216 295 I CA 1.200 62.375 61.300 -0.208 0.000 1.438 295 I CB 0.384 38.227 38.000 -0.262 0.000 1.342 295 I HN 0.415 nan 8.210 nan 0.000 0.577 296 R N 4.467 124.903 120.500 -0.107 0.000 2.646 296 R HA 0.163 4.503 4.340 -0.000 0.000 0.226 296 R C 0.286 176.541 176.300 -0.076 0.000 0.928 296 R CA -0.070 55.986 56.100 -0.074 0.000 1.010 296 R CB 0.869 31.136 30.300 -0.055 0.000 1.516 296 R HN 0.673 nan 8.270 nan 0.000 0.621 297 K N 1.016 121.359 120.400 -0.095 0.000 2.318 297 K HA 0.428 4.748 4.320 -0.000 0.000 0.249 297 K C -1.734 174.793 176.600 -0.122 0.000 0.942 297 K CA -0.645 55.581 56.287 -0.102 0.000 0.808 297 K CB 1.825 34.259 32.500 -0.110 0.000 1.189 297 K HN 0.003 nan 8.250 nan 0.000 0.428 298 L N 3.142 124.295 121.223 -0.116 0.000 2.476 298 L HA 0.301 4.641 4.340 -0.000 0.000 0.269 298 L C -1.590 175.204 176.870 -0.128 0.000 0.965 298 L CA -0.590 54.172 54.840 -0.131 0.000 0.845 298 L CB 1.983 43.968 42.059 -0.124 0.000 1.259 298 L HN 0.775 nan 8.230 nan 0.000 0.403 299 D N 5.236 125.544 120.400 -0.152 0.000 2.540 299 D HA 0.261 4.900 4.640 -0.000 0.000 0.251 299 D C 0.509 176.705 176.300 -0.174 0.000 1.159 299 D CA -0.117 53.782 54.000 -0.169 0.000 0.974 299 D CB 0.662 41.341 40.800 -0.201 0.000 0.996 299 D HN 0.457 nan 8.370 nan 0.000 0.512 300 L N 2.711 123.851 121.223 -0.137 0.000 2.688 300 L HA 0.054 4.393 4.340 -0.000 0.000 0.234 300 L C 1.855 178.680 176.870 -0.074 0.000 1.192 300 L CA -0.365 54.406 54.840 -0.116 0.000 0.984 300 L CB 0.188 42.173 42.059 -0.123 0.000 1.232 300 L HN 0.274 nan 8.230 nan 0.000 0.465 301 L N 0.189 121.304 121.223 -0.181 0.000 1.961 301 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 301 L C 1.862 178.772 176.870 0.066 0.000 1.072 301 L CA 2.290 57.035 54.840 -0.158 0.000 0.749 301 L CB -0.787 40.981 42.059 -0.485 0.000 0.889 301 L HN 0.363 nan 8.230 nan 0.000 0.432 302 Y N -0.896 119.389 120.300 -0.025 0.000 2.468 302 Y HA 0.420 4.969 4.550 -0.000 0.000 0.268 302 Y C 1.166 177.061 175.900 -0.008 0.000 1.177 302 Y CA -0.529 57.555 58.100 -0.027 0.000 1.265 302 Y CB -0.237 38.149 38.460 -0.122 0.000 1.103 302 Y HN 0.152 nan 8.280 nan 0.000 0.522 303 A N 1.162 124.027 122.820 0.076 0.000 2.386 303 A HA 0.154 4.474 4.320 -0.000 0.000 0.248 303 A C 0.999 178.649 177.584 0.110 0.000 1.082 303 A CA -0.292 51.776 52.037 0.052 0.000 0.789 303 A CB 0.561 19.538 19.000 -0.038 0.000 1.025 303 A HN 0.412 nan 8.150 nan 0.000 0.490 304 L N 1.375 122.665 121.223 0.111 0.000 2.341 304 L HA 0.088 4.427 4.340 -0.000 0.000 0.214 304 L C 1.208 178.145 176.870 0.111 0.000 1.115 304 L CA 0.962 55.876 54.840 0.123 0.000 0.820 304 L CB -1.222 40.908 42.059 0.119 0.000 0.944 304 L HN 0.820 nan 8.230 nan 0.000 0.452 305 L N -0.426 120.841 121.223 0.072 0.000 2.498 305 L HA 0.009 4.348 4.340 -0.000 0.000 0.293 305 L C 0.449 177.447 176.870 0.214 0.000 1.271 305 L CA 0.015 54.904 54.840 0.082 0.000 0.831 305 L CB -0.080 41.965 42.059 -0.024 0.000 1.091 305 L HN -0.068 nan 8.230 nan 0.000 0.535 306 E N -0.036 120.292 120.200 0.213 0.000 2.283 306 E HA 0.137 4.487 4.350 -0.000 0.000 0.267 306 E C 0.826 177.579 176.600 0.256 0.000 1.045 306 E CA 0.161 56.676 56.400 0.192 0.000 0.884 306 E CB 1.750 31.520 29.700 0.117 0.000 1.106 306 E HN 0.693 nan 8.360 nan 0.000 0.408 307 T N 1.233 115.827 114.554 0.067 0.000 2.822 307 T HA -0.213 4.137 4.350 -0.000 0.000 0.270 307 T C 1.279 176.014 174.700 0.059 0.000 1.064 307 T CA 2.091 64.163 62.100 -0.046 0.000 1.131 307 T CB -0.008 68.829 68.868 -0.051 0.000 0.858 307 T HN 0.516 nan 8.240 nan 0.000 0.483 308 E N -0.341 119.916 120.200 0.095 0.000 2.140 308 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 308 E C 1.363 178.039 176.600 0.126 0.000 0.973 308 E CA 0.769 57.227 56.400 0.097 0.000 0.829 308 E CB -0.022 29.720 29.700 0.070 0.000 0.781 308 E HN 0.475 nan 8.360 nan 0.000 0.466 309 D N 0.088 120.575 120.400 0.145 0.000 2.350 309 D HA -0.121 4.519 4.640 -0.000 0.000 0.216 309 D C 1.576 177.946 176.300 0.116 0.000 0.968 309 D CA 0.672 54.745 54.000 0.123 0.000 0.894 309 D CB -0.269 40.592 40.800 0.101 0.000 0.909 309 D HN 0.391 nan 8.370 nan 0.000 0.520 310 H N -0.655 118.440 119.070 0.041 0.000 2.395 310 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 310 H C 1.847 177.199 175.328 0.040 0.000 1.070 310 H CA 1.075 57.144 56.048 0.035 0.000 1.356 310 H CB 0.332 30.115 29.762 0.036 0.000 1.401 310 H HN 0.260 nan 8.280 nan 0.000 0.524 311 C N 0.199 119.603 119.300 0.172 0.000 2.485 311 C HA -0.004 4.456 4.460 -0.000 0.000 0.277 311 C C 2.621 177.653 174.990 0.070 0.000 1.376 311 C CA 0.891 59.981 59.018 0.120 0.000 1.759 311 C CB -0.862 26.946 27.740 0.114 0.000 1.970 311 C HN 0.616 nan 8.230 nan 0.000 0.509 312 T N -0.991 113.608 114.554 0.075 0.000 3.081 312 T HA 0.103 4.453 4.350 -0.000 0.000 0.255 312 T C 1.536 176.308 174.700 0.119 0.000 1.113 312 T CA 0.416 62.550 62.100 0.058 0.000 1.082 312 T CB -0.073 68.832 68.868 0.061 0.000 0.939 312 T HN 0.500 nan 8.240 nan 0.000 0.506 313 L N 0.569 121.852 121.223 0.100 0.000 2.121 313 L HA 0.162 4.502 4.340 -0.000 0.000 0.200 313 L C 2.227 179.108 176.870 0.017 0.000 1.077 313 L CA 0.727 55.617 54.840 0.084 0.000 0.766 313 L CB -0.233 41.797 42.059 -0.047 0.000 0.931 313 L HN 0.088 nan 8.230 nan 0.000 0.452 314 I N 0.432 121.001 120.570 -0.002 0.000 2.462 314 I HA -0.370 3.799 4.170 -0.000 0.000 0.259 314 I C 2.346 178.410 176.117 -0.089 0.000 1.156 314 I CA 1.450 62.746 61.300 -0.006 0.000 1.417 314 I CB -1.112 36.928 38.000 0.066 0.000 1.088 314 I HN 0.550 nan 8.210 nan 0.000 0.442 315 Q N 0.890 120.571 119.800 -0.199 0.000 2.123 315 Q HA -0.167 4.172 4.340 -0.000 0.000 0.199 315 Q C 1.731 177.510 176.000 -0.368 0.000 0.966 315 Q CA 1.296 56.763 55.803 -0.560 0.000 0.845 315 Q CB 0.170 28.592 28.738 -0.527 0.000 0.907 315 Q HN 0.284 nan 8.270 nan 0.000 0.439 316 K N -1.093 119.234 120.400 -0.121 0.000 2.487 316 K HA 0.074 4.393 4.320 -0.000 0.000 0.192 316 K C -0.261 176.318 176.600 -0.035 0.000 1.027 316 K CA 0.129 56.398 56.287 -0.029 0.000 1.054 316 K CB 0.574 33.170 32.500 0.160 0.000 0.824 316 K HN 0.122 nan 8.250 nan 0.000 0.510 317 C N 1.478 120.745 119.300 -0.055 0.000 2.955 317 C HA 0.328 4.788 4.460 -0.000 0.000 0.262 317 C C -1.750 173.234 174.990 -0.009 0.000 1.279 317 C CA -1.723 57.266 59.018 -0.049 0.000 1.615 317 C CB 0.183 27.877 27.740 -0.076 0.000 1.755 317 C HN 0.230 nan 8.230 nan 0.000 0.452 318 P HA -0.112 nan 4.420 nan 0.000 0.214 318 P C 1.122 178.442 177.300 0.034 0.000 1.162 318 P CA 1.441 64.576 63.100 0.058 0.000 0.879 318 P CB -0.022 31.713 31.700 0.059 0.000 0.786 319 N N -0.173 118.533 118.700 0.010 0.000 2.617 319 N HA -0.047 4.693 4.740 -0.000 0.000 0.198 319 N C 0.190 175.694 175.510 -0.011 0.000 1.317 319 N CA -0.088 52.962 53.050 0.000 0.000 0.892 319 N CB -0.374 38.108 38.487 -0.008 0.000 1.041 319 N HN 0.057 nan 8.380 nan 0.000 0.450 320 L N 1.682 122.900 121.223 -0.007 0.000 2.490 320 L HA -0.052 4.288 4.340 -0.000 0.000 0.274 320 L C 1.208 178.076 176.870 -0.003 0.000 1.201 320 L CA 1.040 55.871 54.840 -0.015 0.000 0.869 320 L CB 0.443 42.498 42.059 -0.006 0.000 1.123 320 L HN 0.300 nan 8.230 nan 0.000 0.484 321 E N 2.762 122.955 120.200 -0.012 0.000 2.673 321 E HA 0.226 4.576 4.350 -0.000 0.000 0.215 321 E C -1.062 175.533 176.600 -0.009 0.000 0.935 321 E CA -0.152 56.246 56.400 -0.003 0.000 1.341 321 E CB 0.580 30.276 29.700 -0.006 0.000 1.277 321 E HN 0.317 nan 8.360 nan 0.000 0.667 322 V N 1.683 121.581 119.914 -0.026 0.000 2.888 322 V HA 0.568 4.688 4.120 -0.000 0.000 0.309 322 V C -1.790 174.283 176.094 -0.036 0.000 1.114 322 V CA -0.895 61.384 62.300 -0.035 0.000 0.940 322 V CB 2.135 33.917 31.823 -0.068 0.000 1.021 322 V HN 0.302 nan 8.190 nan 0.000 0.426 323 L N 3.986 125.197 121.223 -0.019 0.000 2.580 323 L HA 0.614 4.954 4.340 -0.000 0.000 0.266 323 L C -0.944 175.927 176.870 0.002 0.000 0.955 323 L CA 0.069 54.902 54.840 -0.012 0.000 0.886 323 L CB 2.150 44.220 42.059 0.018 0.000 1.263 323 L HN 0.707 nan 8.230 nan 0.000 0.406 324 E N 3.547 123.731 120.200 -0.026 0.000 2.141 324 E HA 0.504 4.854 4.350 -0.000 0.000 0.259 324 E C -0.968 175.627 176.600 -0.008 0.000 0.883 324 E CA -0.411 55.982 56.400 -0.013 0.000 0.744 324 E CB 1.882 31.552 29.700 -0.048 0.000 1.150 324 E HN 0.630 nan 8.360 nan 0.000 0.420 325 T N 1.994 116.575 114.554 0.044 0.000 2.906 325 T HA 0.402 4.752 4.350 -0.000 0.000 0.295 325 T C -0.547 174.204 174.700 0.085 0.000 1.075 325 T CA -0.715 61.433 62.100 0.080 0.000 1.005 325 T CB 1.488 70.448 68.868 0.153 0.000 1.136 325 T HN 0.327 nan 8.240 nan 0.000 0.498 326 R N 1.758 122.318 120.500 0.100 0.000 2.531 326 R HA 0.257 4.597 4.340 -0.000 0.000 0.273 326 R C 1.673 177.996 176.300 0.037 0.000 1.070 326 R CA -0.336 55.801 56.100 0.063 0.000 1.112 326 R CB 0.470 30.820 30.300 0.084 0.000 1.049 326 R HN 0.796 nan 8.270 nan 0.000 0.508 327 N N 2.352 121.061 118.700 0.016 0.000 2.588 327 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 327 N C 1.290 176.770 175.510 -0.051 0.000 1.094 327 N CA 1.528 54.583 53.050 0.009 0.000 0.921 327 N CB -0.571 37.940 38.487 0.040 0.000 0.959 327 N HN 0.446 nan 8.380 nan 0.000 0.448 328 V N -1.490 118.372 119.914 -0.087 0.000 2.867 328 V HA -0.103 4.017 4.120 -0.000 0.000 0.260 328 V C 2.160 178.032 176.094 -0.370 0.000 1.099 328 V CA 1.016 63.221 62.300 -0.160 0.000 1.122 328 V CB -0.955 30.808 31.823 -0.101 0.000 0.708 328 V HN 0.365 nan 8.190 nan 0.000 0.490 329 I N 1.652 121.941 120.570 -0.468 0.000 2.185 329 I HA 0.049 4.219 4.170 -0.000 0.000 0.246 329 I C 1.511 177.501 176.117 -0.212 0.000 1.088 329 I CA 1.736 62.726 61.300 -0.516 0.000 1.347 329 I CB -0.701 37.240 38.000 -0.099 0.000 1.041 329 I HN 0.740 nan 8.210 nan 0.000 0.415 330 G N 0.289 109.025 108.800 -0.106 0.000 2.693 330 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.226 330 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.226 330 G C 0.109 175.010 174.900 0.002 0.000 1.354 330 G CA 0.141 45.217 45.100 -0.041 0.000 0.873 330 G HN 0.371 nan 8.290 nan 0.000 0.562 331 D N -0.285 120.125 120.400 0.017 0.000 2.201 331 D HA 0.026 4.665 4.640 -0.000 0.000 0.209 331 D C 2.610 178.934 176.300 0.039 0.000 0.961 331 D CA 0.655 54.675 54.000 0.033 0.000 0.861 331 D CB -0.034 40.786 40.800 0.033 0.000 0.997 331 D HN 0.434 nan 8.370 nan 0.000 0.486 332 R N 0.577 121.099 120.500 0.037 0.000 2.112 332 R HA -0.175 4.165 4.340 -0.000 0.000 0.242 332 R C 2.364 178.702 176.300 0.065 0.000 1.137 332 R CA 1.684 57.814 56.100 0.050 0.000 0.944 332 R CB -0.739 29.591 30.300 0.050 0.000 0.857 332 R HN 0.152 nan 8.270 nan 0.000 0.435 333 G N 0.937 109.770 108.800 0.056 0.000 2.556 333 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.220 333 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.220 333 G C 1.390 176.341 174.900 0.086 0.000 1.156 333 G CA 0.955 46.101 45.100 0.077 0.000 0.766 333 G HN 0.232 nan 8.290 nan 0.000 0.583 334 L N 0.038 121.301 121.223 0.068 0.000 2.275 334 L HA -0.016 4.324 4.340 -0.000 0.000 0.215 334 L C 2.876 179.785 176.870 0.065 0.000 1.119 334 L CA 1.025 55.907 54.840 0.071 0.000 0.790 334 L CB -0.180 41.918 42.059 0.066 0.000 0.919 334 L HN 0.386 nan 8.230 nan 0.000 0.443 335 E N -0.853 119.384 120.200 0.062 0.000 2.075 335 E HA -0.104 4.245 4.350 -0.000 0.000 0.190 335 E C 2.202 178.841 176.600 0.065 0.000 0.969 335 E CA 0.798 57.225 56.400 0.046 0.000 0.815 335 E CB -0.051 29.671 29.700 0.036 0.000 0.776 335 E HN 0.199 nan 8.360 nan 0.000 0.457 336 V N 1.963 121.949 119.914 0.120 0.000 2.439 336 V HA -0.271 3.849 4.120 -0.000 0.000 0.253 336 V C 2.316 178.558 176.094 0.246 0.000 1.074 336 V CA 1.400 63.839 62.300 0.231 0.000 1.076 336 V CB -0.533 31.423 31.823 0.222 0.000 0.664 336 V HN 0.180 nan 8.190 nan 0.000 0.461 337 L N 0.569 121.880 121.223 0.147 0.000 2.044 337 L HA 0.080 4.419 4.340 -0.000 0.000 0.205 337 L C 2.513 179.430 176.870 0.078 0.000 1.075 337 L CA 2.120 57.034 54.840 0.123 0.000 0.747 337 L CB -1.045 41.073 42.059 0.098 0.000 0.903 337 L HN 0.217 nan 8.230 nan 0.000 0.435 338 A N -0.603 122.240 122.820 0.037 0.000 1.940 338 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 338 A C 2.152 179.699 177.584 -0.062 0.000 1.176 338 A CA 1.930 53.961 52.037 -0.010 0.000 0.631 338 A CB -0.554 18.433 19.000 -0.021 0.000 0.814 338 A HN 0.741 nan 8.150 nan 0.000 0.446 339 Q N -2.592 117.131 119.800 -0.128 0.000 2.165 339 Q HA -0.039 4.301 4.340 -0.000 0.000 0.197 339 Q C 1.815 177.625 176.000 -0.317 0.000 0.952 339 Q CA 1.225 56.855 55.803 -0.289 0.000 0.848 339 Q CB -0.437 28.016 28.738 -0.474 0.000 0.931 339 Q HN 0.678 nan 8.270 nan 0.000 0.470 340 Y N 0.704 121.008 120.300 0.006 0.000 2.389 340 Y HA 0.174 4.724 4.550 -0.000 0.000 0.292 340 Y C 1.045 176.948 175.900 0.004 0.000 1.117 340 Y CA -0.314 57.790 58.100 0.006 0.000 1.195 340 Y CB 0.606 39.073 38.460 0.012 0.000 1.076 340 Y HN 0.112 nan 8.280 nan 0.000 0.548 341 C N 2.684 122.077 119.300 0.155 0.000 2.138 341 C HA 0.240 4.700 4.460 -0.000 0.000 0.398 341 C C 1.422 176.443 174.990 0.051 0.000 1.029 341 C CA -0.932 58.143 59.018 0.095 0.000 1.426 341 C CB -0.677 27.118 27.740 0.091 0.000 1.652 341 C HN 0.319 nan 8.230 nan 0.000 0.486 342 K N 1.639 122.062 120.400 0.038 0.000 2.202 342 K HA 0.017 4.336 4.320 -0.000 0.000 0.201 342 K C 1.842 178.452 176.600 0.016 0.000 1.051 342 K CA 0.986 57.283 56.287 0.016 0.000 0.977 342 K CB 0.035 32.539 32.500 0.007 0.000 0.792 342 K HN 0.704 nan 8.250 nan 0.000 0.469 343 Q N 1.532 121.344 119.800 0.020 0.000 2.242 343 Q HA 0.083 4.423 4.340 -0.000 0.000 0.246 343 Q C 0.160 176.174 176.000 0.023 0.000 0.883 343 Q CA -0.366 55.449 55.803 0.019 0.000 0.984 343 Q CB -0.697 28.050 28.738 0.015 0.000 1.096 343 Q HN -0.019 nan 8.270 nan 0.000 0.452 344 L N 2.468 123.709 121.223 0.030 0.000 2.513 344 L HA 0.015 4.355 4.340 -0.000 0.000 0.272 344 L C 0.810 177.708 176.870 0.047 0.000 1.187 344 L CA 0.942 55.804 54.840 0.037 0.000 0.895 344 L CB 0.558 42.645 42.059 0.047 0.000 1.147 344 L HN 0.378 nan 8.230 nan 0.000 0.483 345 K N 3.778 124.205 120.400 0.046 0.000 2.438 345 K HA 0.353 4.673 4.320 -0.000 0.000 0.206 345 K C -0.117 176.534 176.600 0.086 0.000 1.081 345 K CA -0.326 55.997 56.287 0.061 0.000 1.053 345 K CB 0.653 33.179 32.500 0.044 0.000 0.908 345 K HN 0.526 nan 8.250 nan 0.000 0.556 346 R N 0.984 121.529 120.500 0.076 0.000 2.535 346 R HA 0.423 4.763 4.340 -0.000 0.000 0.274 346 R C -2.167 174.198 176.300 0.109 0.000 1.090 346 R CA -0.857 55.301 56.100 0.097 0.000 0.930 346 R CB 2.066 32.336 30.300 -0.050 0.000 1.223 346 R HN 0.114 nan 8.270 nan 0.000 0.441 347 L N 1.941 123.299 121.223 0.226 0.000 2.516 347 L HA 0.538 4.878 4.340 -0.000 0.000 0.267 347 L C -1.388 175.638 176.870 0.260 0.000 0.957 347 L CA -0.294 54.659 54.840 0.188 0.000 0.860 347 L CB 1.882 44.039 42.059 0.163 0.000 1.265 347 L HN 0.575 nan 8.230 nan 0.000 0.403 348 R N 4.897 125.511 120.500 0.192 0.000 2.670 348 R HA 0.816 5.156 4.340 -0.000 0.000 0.289 348 R C -1.473 174.921 176.300 0.156 0.000 0.965 348 R CA -0.692 55.539 56.100 0.219 0.000 0.899 348 R CB 1.628 32.052 30.300 0.207 0.000 1.173 348 R HN 0.752 nan 8.270 nan 0.000 0.456 349 I N 2.901 123.577 120.570 0.176 0.000 2.582 349 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 349 I C -0.953 175.271 176.117 0.179 0.000 1.066 349 I CA -0.544 60.846 61.300 0.150 0.000 1.053 349 I CB 2.269 40.356 38.000 0.145 0.000 1.241 349 I HN 0.697 nan 8.210 nan 0.000 0.421 350 E N 5.672 125.894 120.200 0.036 0.000 2.400 350 E HA 0.317 4.667 4.350 -0.000 0.000 0.285 350 E C -1.627 174.847 176.600 -0.210 0.000 1.005 350 E CA -1.097 55.167 56.400 -0.226 0.000 0.816 350 E CB 1.907 31.215 29.700 -0.653 0.000 1.220 350 E HN 0.499 nan 8.360 nan 0.000 0.426 351 R N 1.930 122.290 120.500 -0.232 0.000 2.221 351 R HA 0.636 4.976 4.340 -0.000 0.000 0.327 351 R C -0.742 175.413 176.300 -0.242 0.000 1.033 351 R CA 0.370 56.386 56.100 -0.141 0.000 0.887 351 R CB 1.013 31.281 30.300 -0.053 0.000 1.057 351 R HN 0.820 nan 8.270 nan 0.000 0.455 352 G N 1.781 110.480 108.800 -0.168 0.000 2.088 352 G HA2 0.395 4.355 3.960 -0.000 0.000 0.222 352 G HA3 0.395 4.355 3.960 -0.000 0.000 0.222 352 G C -0.418 174.414 174.900 -0.112 0.000 1.690 352 G CA -0.025 44.980 45.100 -0.157 0.000 0.923 352 G HN 0.876 nan 8.290 nan 0.000 0.730 353 A N 1.503 124.260 122.820 -0.105 0.000 2.541 353 A HA 0.296 4.616 4.320 -0.000 0.000 0.218 353 A C 0.758 178.240 177.584 -0.169 0.000 2.767 353 A CA 1.483 53.433 52.037 -0.145 0.000 1.578 353 A CB -0.638 18.259 19.000 -0.171 0.000 0.294 353 A HN 1.495 nan 8.150 nan 0.000 0.531 354 D N -0.600 119.716 120.400 -0.141 0.000 2.249 354 D HA 0.227 4.867 4.640 -0.000 0.000 0.371 354 D C 0.015 176.271 176.300 -0.074 0.000 1.055 354 D CA 1.061 54.985 54.000 -0.126 0.000 0.897 354 D CB 0.696 41.390 40.800 -0.177 0.000 1.466 354 D HN 0.534 nan 8.370 nan 0.000 0.516 355 E N 0.306 120.476 120.200 -0.051 0.000 2.372 355 E HA 0.278 4.627 4.350 -0.000 0.000 0.279 355 E C -0.587 176.003 176.600 -0.017 0.000 0.946 355 E CA -0.266 56.117 56.400 -0.028 0.000 0.769 355 E CB 2.070 31.760 29.700 -0.017 0.000 1.230 355 E HN -0.089 nan 8.360 nan 0.000 0.442 356 Q N 0.743 120.536 119.800 -0.010 0.000 2.219 356 Q HA 0.177 4.516 4.340 -0.000 0.000 0.209 356 Q C 0.964 176.967 176.000 0.004 0.000 0.854 356 Q CA -0.131 55.670 55.803 -0.002 0.000 0.960 356 Q CB 1.140 29.878 28.738 0.001 0.000 1.116 356 Q HN 0.723 nan 8.270 nan 0.000 0.500 357 G N 1.376 110.179 108.800 0.005 0.000 2.065 357 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.396 357 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.396 357 G C 0.673 175.580 174.900 0.011 0.000 1.446 357 G CA 0.011 45.115 45.100 0.008 0.000 1.047 357 G HN 0.212 nan 8.290 nan 0.000 0.473 358 M N 1.126 120.733 119.600 0.013 0.000 2.763 358 M HA 0.054 4.534 4.480 -0.000 0.000 0.244 358 M C 0.598 176.906 176.300 0.013 0.000 1.065 358 M CA 0.746 56.054 55.300 0.013 0.000 1.070 358 M CB -0.376 32.233 32.600 0.015 0.000 1.494 358 M HN 0.376 nan 8.290 nan 0.000 0.546 359 E N 1.562 121.770 120.200 0.013 0.000 1.986 359 E HA 0.290 4.640 4.350 -0.000 0.000 0.264 359 E C -0.766 175.844 176.600 0.017 0.000 1.023 359 E CA -0.361 56.046 56.400 0.012 0.000 0.834 359 E CB -0.352 29.354 29.700 0.010 0.000 1.111 359 E HN 0.343 nan 8.360 nan 0.000 0.417 360 D N 1.607 122.020 120.400 0.020 0.000 2.349 360 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 360 D C -0.692 175.625 176.300 0.028 0.000 1.323 360 D CA -0.680 53.337 54.000 0.027 0.000 0.917 360 D CB 0.134 40.949 40.800 0.025 0.000 1.524 360 D HN 0.298 nan 8.370 nan 0.000 0.505 361 E N 0.578 120.798 120.200 0.034 0.000 2.613 361 E HA -0.255 4.095 4.350 -0.000 0.000 0.161 361 E C -0.742 175.873 176.600 0.024 0.000 1.664 361 E CA 0.781 57.200 56.400 0.031 0.000 0.661 361 E CB -0.194 29.523 29.700 0.029 0.000 1.098 361 E HN 0.579 nan 8.360 nan 0.000 0.364 362 E N -0.030 120.184 120.200 0.023 0.000 3.372 362 E HA 0.294 4.644 4.350 -0.000 0.000 0.139 362 E C 1.428 178.039 176.600 0.018 0.000 0.919 362 E CA 0.042 56.452 56.400 0.018 0.000 0.891 362 E CB -0.797 28.910 29.700 0.012 0.000 1.971 362 E HN 0.270 nan 8.360 nan 0.000 0.384 363 G N 1.746 110.552 108.800 0.011 0.000 2.626 363 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.224 363 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.224 363 G C 1.604 176.515 174.900 0.017 0.000 1.095 363 G CA 1.459 46.565 45.100 0.010 0.000 0.738 363 G HN 0.324 nan 8.290 nan 0.000 0.600 364 L N -0.874 120.360 121.223 0.018 0.000 2.331 364 L HA -0.316 4.024 4.340 -0.000 0.000 0.245 364 L C 0.907 177.804 176.870 0.044 0.000 1.126 364 L CA 2.586 57.445 54.840 0.033 0.000 0.834 364 L CB -0.260 41.825 42.059 0.043 0.000 0.982 364 L HN 0.451 nan 8.230 nan 0.000 0.432 365 V N -4.387 115.556 119.914 0.048 0.000 3.029 365 V HA 0.276 4.396 4.120 -0.000 0.000 0.253 365 V C -0.116 176.010 176.094 0.054 0.000 0.859 365 V CA -0.336 61.999 62.300 0.057 0.000 0.970 365 V CB 0.554 32.420 31.823 0.071 0.000 1.003 365 V HN 0.320 nan 8.190 nan 0.000 0.507 366 S N 2.268 117.997 115.700 0.048 0.000 2.572 366 S HA 0.172 4.642 4.470 -0.000 0.000 0.267 366 S C 1.377 176.010 174.600 0.056 0.000 1.361 366 S CA 0.206 58.434 58.200 0.046 0.000 1.009 366 S CB 1.181 64.405 63.200 0.040 0.000 0.888 366 S HN 0.788 nan 8.310 nan 0.000 0.553 367 Q N 2.292 122.124 119.800 0.055 0.000 2.297 367 Q HA -0.090 4.250 4.340 -0.000 0.000 0.204 367 Q C 2.117 178.154 176.000 0.062 0.000 0.962 367 Q CA 1.356 57.196 55.803 0.063 0.000 0.879 367 Q CB -0.577 28.196 28.738 0.057 0.000 0.947 367 Q HN 0.853 nan 8.270 nan 0.000 0.462 368 R N -0.026 120.506 120.500 0.052 0.000 2.081 368 R HA -0.011 4.329 4.340 -0.000 0.000 0.235 368 R C 2.276 178.608 176.300 0.053 0.000 1.131 368 R CA 1.426 57.555 56.100 0.049 0.000 0.960 368 R CB -1.285 29.039 30.300 0.039 0.000 0.856 368 R HN 0.175 nan 8.270 nan 0.000 0.436 369 G N 2.502 111.335 108.800 0.056 0.000 2.574 369 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 369 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 369 G C 1.543 176.488 174.900 0.075 0.000 1.173 369 G CA 1.439 46.577 45.100 0.062 0.000 0.772 369 G HN 0.243 nan 8.290 nan 0.000 0.585 370 L N -0.223 121.053 121.223 0.088 0.000 2.209 370 L HA 0.206 4.546 4.340 -0.000 0.000 0.207 370 L C 2.828 179.760 176.870 0.103 0.000 1.094 370 L CA 0.341 55.246 54.840 0.110 0.000 0.790 370 L CB -0.435 41.703 42.059 0.133 0.000 0.932 370 L HN 0.189 nan 8.230 nan 0.000 0.447 371 I N 0.578 121.201 120.570 0.089 0.000 2.439 371 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 371 I C 2.794 178.955 176.117 0.074 0.000 1.139 371 I CA 0.931 62.286 61.300 0.092 0.000 1.438 371 I CB -0.306 37.741 38.000 0.079 0.000 1.085 371 I HN 0.171 nan 8.210 nan 0.000 0.427 372 A N 0.893 123.744 122.820 0.052 0.000 1.855 372 A HA -0.149 4.171 4.320 -0.000 0.000 0.213 372 A C 2.209 179.799 177.584 0.011 0.000 1.195 372 A CA 1.023 53.073 52.037 0.022 0.000 0.610 372 A CB -0.820 18.194 19.000 0.023 0.000 0.837 372 A HN 0.318 nan 8.150 nan 0.000 0.444 373 L N 0.126 121.372 121.223 0.039 0.000 2.042 373 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 373 L C 2.631 179.525 176.870 0.040 0.000 1.076 373 L CA 2.323 57.191 54.840 0.046 0.000 0.749 373 L CB -0.790 41.315 42.059 0.077 0.000 0.893 373 L HN 0.364 nan 8.230 nan 0.000 0.432 374 A N -1.076 121.783 122.820 0.065 0.000 1.902 374 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 374 A C 2.114 179.690 177.584 -0.012 0.000 1.181 374 A CA 1.906 53.994 52.037 0.085 0.000 0.623 374 A CB -0.524 18.569 19.000 0.156 0.000 0.818 374 A HN 0.717 nan 8.150 nan 0.000 0.443 375 Q N -0.824 118.899 119.800 -0.129 0.000 2.398 375 Q HA 0.083 4.422 4.340 -0.000 0.000 0.204 375 Q C 2.010 177.833 176.000 -0.295 0.000 0.932 375 Q CA 0.538 56.060 55.803 -0.470 0.000 0.916 375 Q CB -0.126 28.305 28.738 -0.511 0.000 1.024 375 Q HN 0.621 nan 8.270 nan 0.000 0.504 376 G N 1.303 110.018 108.800 -0.142 0.000 2.456 376 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.213 376 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.213 376 G C 0.428 175.287 174.900 -0.068 0.000 1.215 376 G CA 0.391 45.433 45.100 -0.096 0.000 0.805 376 G HN 0.402 nan 8.290 nan 0.000 0.537 377 C N 1.343 120.627 119.300 -0.028 0.000 2.203 377 C HA 0.560 5.019 4.460 -0.000 0.000 0.325 377 C C 0.875 175.871 174.990 0.011 0.000 1.156 377 C CA -0.806 58.213 59.018 0.002 0.000 1.597 377 C CB 0.150 27.910 27.740 0.033 0.000 2.148 377 C HN 0.544 nan 8.230 nan 0.000 0.472 378 Q N 0.372 120.171 119.800 -0.000 0.000 2.247 378 Q HA 0.060 4.400 4.340 -0.000 0.000 0.211 378 Q C 1.237 177.261 176.000 0.039 0.000 0.861 378 Q CA 0.204 56.020 55.803 0.021 0.000 0.949 378 Q CB 0.658 29.396 28.738 0.001 0.000 1.115 378 Q HN 0.768 nan 8.270 nan 0.000 0.507 379 E N 0.728 120.950 120.200 0.036 0.000 2.435 379 E HA 0.065 4.415 4.350 -0.000 0.000 0.195 379 E C 0.146 176.783 176.600 0.061 0.000 1.029 379 E CA -0.075 56.350 56.400 0.042 0.000 0.865 379 E CB 0.349 30.068 29.700 0.032 0.000 0.833 379 E HN 0.320 nan 8.360 nan 0.000 0.510 380 L N 1.463 122.732 121.223 0.076 0.000 2.559 380 L HA -0.117 4.223 4.340 -0.000 0.000 0.282 380 L C 1.195 178.139 176.870 0.123 0.000 1.232 380 L CA 0.802 55.707 54.840 0.108 0.000 0.885 380 L CB 0.360 42.495 42.059 0.128 0.000 1.131 380 L HN 0.085 nan 8.230 nan 0.000 0.498 381 E N 1.854 122.147 120.200 0.154 0.000 2.421 381 E HA 0.049 4.399 4.350 -0.000 0.000 0.209 381 E C -1.080 175.672 176.600 0.253 0.000 0.871 381 E CA -0.045 56.453 56.400 0.164 0.000 1.064 381 E CB 0.938 30.718 29.700 0.132 0.000 1.075 381 E HN 0.469 nan 8.360 nan 0.000 0.513 382 Y N 1.004 121.370 120.300 0.110 0.000 2.401 382 Y HA 0.518 5.067 4.550 -0.000 0.000 0.330 382 Y C -1.613 174.370 175.900 0.139 0.000 1.071 382 Y CA -1.091 57.088 58.100 0.131 0.000 1.049 382 Y CB 1.118 39.635 38.460 0.095 0.000 1.239 382 Y HN -0.191 nan 8.280 nan 0.000 0.437 383 M N 5.549 125.154 119.600 0.009 0.000 2.501 383 M HA 0.894 5.374 4.480 -0.000 0.000 0.293 383 M C -1.958 174.183 176.300 -0.265 0.000 1.192 383 M CA -0.700 54.640 55.300 0.066 0.000 0.886 383 M CB 2.291 35.026 32.600 0.226 0.000 1.710 383 M HN 0.957 nan 8.290 nan 0.000 0.457 384 A N 3.909 126.658 122.820 -0.118 0.000 2.513 384 A HA 0.645 4.965 4.320 -0.000 0.000 0.285 384 A C -2.050 175.533 177.584 -0.003 0.000 1.047 384 A CA -0.505 51.422 52.037 -0.183 0.000 0.864 384 A CB 1.117 20.032 19.000 -0.142 0.000 1.373 384 A HN 0.579 nan 8.150 nan 0.000 0.403 385 V N 2.640 122.508 119.914 -0.077 0.000 2.686 385 V HA 0.388 4.508 4.120 -0.000 0.000 0.306 385 V C -1.298 174.817 176.094 0.036 0.000 1.065 385 V CA -0.617 61.719 62.300 0.060 0.000 0.894 385 V CB 1.883 33.742 31.823 0.060 0.000 1.004 385 V HN 0.741 nan 8.190 nan 0.000 0.424 386 Y N 3.357 123.665 120.300 0.013 0.000 2.539 386 Y HA 0.417 4.967 4.550 -0.000 0.000 0.352 386 Y C 0.286 176.202 175.900 0.027 0.000 1.004 386 Y CA -0.272 57.840 58.100 0.020 0.000 1.278 386 Y CB 1.019 39.496 38.460 0.030 0.000 1.136 386 Y HN 0.328 nan 8.280 nan 0.000 0.528 387 V N 3.358 123.332 119.914 0.100 0.000 2.384 387 V HA 0.142 4.262 4.120 -0.000 0.000 0.287 387 V C 0.860 176.996 176.094 0.070 0.000 1.020 387 V CA -0.139 62.210 62.300 0.081 0.000 0.850 387 V CB 1.686 33.547 31.823 0.064 0.000 0.987 387 V HN 0.917 nan 8.190 nan 0.000 0.436 388 S N 3.026 118.768 115.700 0.070 0.000 2.414 388 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 388 S C 0.662 175.288 174.600 0.043 0.000 1.041 388 S CA 1.572 59.806 58.200 0.056 0.000 1.114 388 S CB -0.032 63.197 63.200 0.049 0.000 1.064 388 S HN 0.887 nan 8.310 nan 0.000 0.420 389 D N -0.271 120.154 120.400 0.042 0.000 2.879 389 D HA 0.398 5.038 4.640 -0.000 0.000 0.236 389 D C -0.562 175.768 176.300 0.050 0.000 1.171 389 D CA -0.406 53.616 54.000 0.037 0.000 0.868 389 D CB 1.405 42.223 40.800 0.030 0.000 1.598 389 D HN 0.085 nan 8.370 nan 0.000 0.497 390 I N -0.271 120.332 120.570 0.055 0.000 3.775 390 I HA 0.587 4.756 4.170 -0.000 0.000 0.272 390 I C 0.447 176.607 176.117 0.072 0.000 1.292 390 I CA -0.657 60.690 61.300 0.078 0.000 1.050 390 I CB 0.973 39.040 38.000 0.111 0.000 1.422 390 I HN 0.433 nan 8.210 nan 0.000 0.561 391 T N -2.739 111.867 114.554 0.086 0.000 3.012 391 T HA 0.272 4.622 4.350 -0.000 0.000 0.330 391 T C 0.352 175.103 174.700 0.086 0.000 1.321 391 T CA -0.765 61.380 62.100 0.075 0.000 1.067 391 T CB 1.501 70.404 68.868 0.058 0.000 1.235 391 T HN 0.530 nan 8.240 nan 0.000 0.479 392 N N 0.993 119.741 118.700 0.080 0.000 2.242 392 N HA -0.219 4.521 4.740 -0.000 0.000 0.193 392 N C 1.495 177.034 175.510 0.047 0.000 1.000 392 N CA 1.679 54.771 53.050 0.069 0.000 0.885 392 N CB -0.022 38.496 38.487 0.053 0.000 0.988 392 N HN 0.667 nan 8.380 nan 0.000 0.444 393 E N 0.904 121.133 120.200 0.047 0.000 2.012 393 E HA -0.122 4.228 4.350 -0.000 0.000 0.197 393 E C 2.105 178.733 176.600 0.048 0.000 1.007 393 E CA 1.170 57.594 56.400 0.039 0.000 0.816 393 E CB -0.220 29.506 29.700 0.043 0.000 0.762 393 E HN 0.354 nan 8.360 nan 0.000 0.451 394 S N 1.809 117.551 115.700 0.071 0.000 2.354 394 S HA -0.159 4.310 4.470 -0.000 0.000 0.219 394 S C 2.108 176.757 174.600 0.081 0.000 1.035 394 S CA 0.792 59.045 58.200 0.089 0.000 1.037 394 S CB -0.472 62.798 63.200 0.117 0.000 0.956 394 S HN 0.114 nan 8.310 nan 0.000 0.428 395 L N 2.382 123.663 121.223 0.097 0.000 1.997 395 L HA -0.242 4.098 4.340 -0.000 0.000 0.227 395 L C 2.688 179.546 176.870 -0.019 0.000 1.087 395 L CA 2.075 56.956 54.840 0.067 0.000 0.797 395 L CB -1.825 40.299 42.059 0.107 0.000 0.902 395 L HN 0.504 nan 8.230 nan 0.000 0.441 396 E N -0.944 119.240 120.200 -0.027 0.000 2.058 396 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 396 E C 2.174 178.721 176.600 -0.088 0.000 0.997 396 E CA 1.546 57.898 56.400 -0.079 0.000 0.801 396 E CB -0.465 29.189 29.700 -0.075 0.000 0.746 396 E HN 0.439 nan 8.360 nan 0.000 0.450 397 S N 0.572 116.251 115.700 -0.035 0.000 2.392 397 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 397 S C 1.969 176.586 174.600 0.029 0.000 1.041 397 S CA 1.024 59.225 58.200 0.002 0.000 1.026 397 S CB -0.122 63.125 63.200 0.078 0.000 0.845 397 S HN 0.091 nan 8.310 nan 0.000 0.465 398 I N 1.777 122.352 120.570 0.007 0.000 2.193 398 I HA 0.058 4.228 4.170 -0.000 0.000 0.240 398 I C 2.753 178.823 176.117 -0.078 0.000 1.084 398 I CA 1.355 62.652 61.300 -0.005 0.000 1.365 398 I CB -1.575 36.385 38.000 -0.066 0.000 1.064 398 I HN 0.398 nan 8.210 nan 0.000 0.410 399 G N -0.489 108.218 108.800 -0.155 0.000 2.450 399 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 399 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 399 G C 1.603 176.395 174.900 -0.180 0.000 1.130 399 G CA 1.529 46.517 45.100 -0.187 0.000 0.760 399 G HN 0.479 nan 8.290 nan 0.000 0.557 400 T N -3.933 110.482 114.554 -0.231 0.000 3.160 400 T HA 0.213 4.562 4.350 -0.000 0.000 0.257 400 T C 1.533 175.937 174.700 -0.493 0.000 1.147 400 T CA 0.600 62.468 62.100 -0.386 0.000 1.064 400 T CB -0.220 68.338 68.868 -0.516 0.000 0.949 400 T HN 0.475 nan 8.240 nan 0.000 0.526 401 Y N 0.401 120.671 120.300 -0.050 0.000 3.224 401 Y HA 0.337 4.886 4.550 -0.000 0.000 0.184 401 Y C 0.536 176.421 175.900 -0.025 0.000 0.891 401 Y CA -1.129 56.953 58.100 -0.031 0.000 1.736 401 Y CB 0.301 38.750 38.460 -0.018 0.000 1.411 401 Y HN 0.057 nan 8.280 nan 0.000 0.402 402 L N 1.570 122.894 121.223 0.169 0.000 2.436 402 L HA 0.221 4.561 4.340 -0.000 0.000 0.244 402 L C 0.698 177.596 176.870 0.047 0.000 1.396 402 L CA -0.356 54.540 54.840 0.094 0.000 1.217 402 L CB -0.764 41.348 42.059 0.088 0.000 1.420 402 L HN 0.002 nan 8.230 nan 0.000 0.434 403 K N 1.809 122.233 120.400 0.040 0.000 2.362 403 K HA -0.143 4.177 4.320 -0.000 0.000 0.202 403 K C 0.777 177.383 176.600 0.011 0.000 1.045 403 K CA 0.983 57.274 56.287 0.007 0.000 0.936 403 K CB -0.486 32.018 32.500 0.006 0.000 0.747 403 K HN 0.855 nan 8.250 nan 0.000 0.467 404 N N 0.594 119.314 118.700 0.032 0.000 2.538 404 N HA 0.045 4.785 4.740 -0.000 0.000 0.291 404 N C -0.166 175.382 175.510 0.063 0.000 1.323 404 N CA -0.148 52.927 53.050 0.041 0.000 0.934 404 N CB -0.152 38.360 38.487 0.042 0.000 1.255 404 N HN 0.018 nan 8.380 nan 0.000 0.509 405 L N -0.240 121.019 121.223 0.061 0.000 2.436 405 L HA 0.185 4.524 4.340 -0.000 0.000 0.265 405 L C 0.452 177.386 176.870 0.107 0.000 1.168 405 L CA -0.303 54.596 54.840 0.099 0.000 0.815 405 L CB 1.065 43.178 42.059 0.089 0.000 1.109 405 L HN 0.312 nan 8.230 nan 0.000 0.462 406 C N -0.546 118.844 119.300 0.150 0.000 3.919 406 C HA 0.247 4.707 4.460 -0.000 0.000 0.422 406 C C 0.175 175.283 174.990 0.196 0.000 1.533 406 C CA -0.369 58.742 59.018 0.155 0.000 2.014 406 C CB 0.357 28.184 27.740 0.146 0.000 2.967 406 C HN 0.713 nan 8.230 nan 0.000 0.692 407 D N 0.554 121.070 120.400 0.192 0.000 2.479 407 D HA 0.361 5.001 4.640 -0.000 0.000 0.246 407 D C -1.848 174.453 176.300 0.001 0.000 1.336 407 D CA 0.055 54.128 54.000 0.123 0.000 0.967 407 D CB 1.117 41.999 40.800 0.137 0.000 1.275 407 D HN 0.192 nan 8.370 nan 0.000 0.577 408 F N 4.410 124.360 119.950 0.000 0.000 2.518 408 F HA 0.540 5.067 4.527 -0.000 0.000 0.323 408 F C -0.944 174.834 175.800 -0.036 0.000 1.129 408 F CA -0.532 57.469 58.000 0.003 0.000 0.920 408 F CB 0.990 40.090 39.000 0.168 0.000 1.160 408 F HN 0.141 nan 8.300 nan 0.000 0.440 409 R N 7.113 127.085 120.500 -0.879 0.000 2.621 409 R HA 0.662 5.002 4.340 -0.000 0.000 0.284 409 R C -2.225 173.635 176.300 -0.733 0.000 0.998 409 R CA -1.128 54.575 56.100 -0.660 0.000 0.895 409 R CB 2.505 32.609 30.300 -0.327 0.000 1.195 409 R HN 0.601 nan 8.270 nan 0.000 0.450 410 L N 3.273 124.207 121.223 -0.482 0.000 2.439 410 L HA 0.480 4.819 4.340 -0.000 0.000 0.270 410 L C -0.987 175.727 176.870 -0.260 0.000 0.972 410 L CA -0.718 53.942 54.840 -0.300 0.000 0.836 410 L CB 2.052 44.082 42.059 -0.048 0.000 1.255 410 L HN 0.505 nan 8.230 nan 0.000 0.404 411 V N 4.144 123.855 119.914 -0.339 0.000 3.093 411 V HA 0.560 4.680 4.120 -0.000 0.000 0.320 411 V C 0.096 176.110 176.094 -0.135 0.000 1.093 411 V CA -0.889 61.239 62.300 -0.286 0.000 1.016 411 V CB 2.251 33.699 31.823 -0.625 0.000 1.096 411 V HN 0.614 nan 8.190 nan 0.000 0.452 412 L N 1.818 123.024 121.223 -0.029 0.000 2.445 412 L HA 0.380 4.719 4.340 -0.000 0.000 0.252 412 L C 0.710 177.615 176.870 0.057 0.000 1.105 412 L CA -0.232 54.609 54.840 0.001 0.000 0.943 412 L CB 1.002 43.043 42.059 -0.029 0.000 1.277 412 L HN 0.612 nan 8.230 nan 0.000 0.465 413 L N 0.587 121.860 121.223 0.084 0.000 2.721 413 L HA -0.103 4.237 4.340 -0.000 0.000 0.241 413 L C 0.313 177.232 176.870 0.082 0.000 1.168 413 L CA 0.870 55.781 54.840 0.119 0.000 0.866 413 L CB -0.240 41.909 42.059 0.151 0.000 0.996 413 L HN 0.565 nan 8.230 nan 0.000 0.451 414 D N -1.254 119.179 120.400 0.055 0.000 2.349 414 D HA 0.127 4.767 4.640 -0.000 0.000 0.232 414 D C 1.180 177.493 176.300 0.022 0.000 1.071 414 D CA -0.459 53.562 54.000 0.035 0.000 0.832 414 D CB 0.871 41.684 40.800 0.021 0.000 1.086 414 D HN -0.225 nan 8.370 nan 0.000 0.504 415 R N 1.890 122.402 120.500 0.020 0.000 2.075 415 R HA 0.034 4.374 4.340 -0.000 0.000 0.226 415 R C 0.003 176.281 176.300 -0.037 0.000 1.114 415 R CA 0.606 56.704 56.100 -0.002 0.000 0.972 415 R CB -0.296 30.010 30.300 0.009 0.000 0.869 415 R HN 0.573 nan 8.270 nan 0.000 0.437 416 E N 2.840 123.027 120.200 -0.023 0.000 2.694 416 E HA -0.109 4.241 4.350 -0.000 0.000 0.250 416 E C -0.267 176.306 176.600 -0.045 0.000 0.963 416 E CA 0.536 56.918 56.400 -0.031 0.000 0.949 416 E CB 0.173 29.863 29.700 -0.016 0.000 0.911 416 E HN 0.079 nan 8.360 nan 0.000 0.500 417 E N 3.142 123.306 120.200 -0.059 0.000 2.415 417 E HA -0.007 4.343 4.350 -0.000 0.000 0.260 417 E C 0.003 176.573 176.600 -0.049 0.000 1.016 417 E CA 0.043 56.400 56.400 -0.071 0.000 0.924 417 E CB 0.389 30.040 29.700 -0.083 0.000 0.961 417 E HN 0.051 nan 8.360 nan 0.000 0.459 418 R N 2.989 123.460 120.500 -0.047 0.000 2.204 418 R HA 0.176 4.516 4.340 -0.000 0.000 0.341 418 R C 0.802 177.085 176.300 -0.027 0.000 1.035 418 R CA -0.538 55.544 56.100 -0.030 0.000 0.887 418 R CB 0.206 30.493 30.300 -0.021 0.000 1.114 418 R HN 0.464 nan 8.270 nan 0.000 0.473 419 I N 1.848 122.405 120.570 -0.022 0.000 3.645 419 I HA -0.027 4.143 4.170 -0.000 0.000 0.300 419 I C 0.732 176.844 176.117 -0.008 0.000 1.260 419 I CA 0.996 62.286 61.300 -0.017 0.000 1.365 419 I CB 0.438 38.427 38.000 -0.018 0.000 1.077 419 I HN 0.519 nan 8.210 nan 0.000 0.439 420 T N -2.340 112.211 114.554 -0.005 0.000 3.374 420 T HA 0.351 4.701 4.350 -0.000 0.000 0.267 420 T C -0.094 174.609 174.700 0.004 0.000 0.996 420 T CA -0.581 61.519 62.100 0.001 0.000 0.977 420 T CB -0.323 68.546 68.868 0.002 0.000 1.149 420 T HN 0.028 nan 8.240 nan 0.000 0.517 421 D N 1.808 122.210 120.400 0.004 0.000 2.649 421 D HA 0.458 5.097 4.640 -0.000 0.000 0.249 421 D C 0.241 176.550 176.300 0.015 0.000 1.112 421 D CA -0.713 53.292 54.000 0.010 0.000 0.850 421 D CB 1.848 42.651 40.800 0.006 0.000 1.399 421 D HN 0.271 nan 8.370 nan 0.000 0.503 422 L N 2.013 123.251 121.223 0.025 0.000 2.536 422 L HA 0.239 4.579 4.340 -0.000 0.000 0.294 422 L C -1.973 174.922 176.870 0.043 0.000 1.257 422 L CA -0.806 54.055 54.840 0.036 0.000 0.850 422 L CB -0.974 41.111 42.059 0.044 0.000 1.105 422 L HN 0.188 nan 8.230 nan 0.000 0.517 423 P HA 0.173 nan 4.420 nan 0.000 0.271 423 P C 0.329 177.695 177.300 0.109 0.000 1.218 423 P CA -0.211 62.935 63.100 0.077 0.000 0.780 423 P CB 0.711 32.460 31.700 0.083 0.000 0.901 424 L N 0.699 122.010 121.223 0.146 0.000 2.168 424 L HA -0.065 4.274 4.340 -0.000 0.000 0.203 424 L C 1.479 178.489 176.870 0.233 0.000 1.078 424 L CA 0.865 55.825 54.840 0.199 0.000 0.780 424 L CB -0.572 41.651 42.059 0.273 0.000 0.939 424 L HN 0.432 nan 8.230 nan 0.000 0.451 425 D N 0.173 120.745 120.400 0.287 0.000 3.950 425 D HA -0.367 4.273 4.640 -0.000 0.000 0.421 425 D C 1.353 177.817 176.300 0.274 0.000 0.630 425 D CA 2.533 56.752 54.000 0.363 0.000 1.436 425 D CB -0.782 40.211 40.800 0.321 0.000 0.636 425 D HN 0.374 nan 8.370 nan 0.000 0.381 426 N N 0.539 119.329 118.700 0.149 0.000 2.409 426 N HA -0.011 4.728 4.740 -0.000 0.000 0.179 426 N C 1.824 177.296 175.510 -0.062 0.000 1.032 426 N CA 1.086 54.125 53.050 -0.019 0.000 0.898 426 N CB -0.019 38.476 38.487 0.013 0.000 0.971 426 N HN 0.406 nan 8.380 nan 0.000 0.441 427 G N 0.790 109.598 108.800 0.013 0.000 2.603 427 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.214 427 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.214 427 G C 1.660 176.547 174.900 -0.023 0.000 1.140 427 G CA 0.495 45.595 45.100 -0.001 0.000 0.800 427 G HN 0.277 nan 8.290 nan 0.000 0.533 428 V N -0.977 118.943 119.914 0.010 0.000 2.599 428 V HA 0.196 4.315 4.120 -0.000 0.000 0.245 428 V C 2.364 178.351 176.094 -0.177 0.000 1.046 428 V CA 1.555 63.797 62.300 -0.096 0.000 1.065 428 V CB -0.383 31.372 31.823 -0.114 0.000 0.703 428 V HN 0.273 nan 8.190 nan 0.000 0.464 429 R N 0.636 121.040 120.500 -0.160 0.000 2.091 429 R HA -0.136 4.203 4.340 -0.000 0.000 0.238 429 R C 2.383 178.443 176.300 -0.400 0.000 1.136 429 R CA 2.113 58.022 56.100 -0.318 0.000 0.959 429 R CB -0.473 29.446 30.300 -0.635 0.000 0.856 429 R HN 0.586 nan 8.270 nan 0.000 0.437 430 S N 0.879 116.393 115.700 -0.310 0.000 2.402 430 S HA -0.087 4.383 4.470 -0.000 0.000 0.229 430 S C 1.719 176.157 174.600 -0.270 0.000 1.021 430 S CA 0.988 59.018 58.200 -0.283 0.000 0.974 430 S CB -0.127 62.951 63.200 -0.204 0.000 0.800 430 S HN 0.397 nan 8.310 nan 0.000 0.484 431 L N 1.374 122.444 121.223 -0.256 0.000 2.007 431 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 431 L C 1.722 178.396 176.870 -0.327 0.000 1.073 431 L CA 1.390 56.059 54.840 -0.285 0.000 0.744 431 L CB -0.334 41.542 42.059 -0.306 0.000 0.898 431 L HN 0.231 nan 8.230 nan 0.000 0.435 432 L N -0.080 120.925 121.223 -0.362 0.000 2.551 432 L HA -0.188 4.152 4.340 -0.000 0.000 0.230 432 L C 2.183 178.884 176.870 -0.282 0.000 1.163 432 L CA 0.879 55.507 54.840 -0.354 0.000 0.826 432 L CB -0.430 41.411 42.059 -0.363 0.000 0.943 432 L HN 0.418 nan 8.230 nan 0.000 0.452 433 I N -0.965 119.407 120.570 -0.331 0.000 2.927 433 I HA 0.004 4.174 4.170 -0.000 0.000 0.268 433 I C 2.468 178.447 176.117 -0.231 0.000 1.153 433 I CA 0.827 61.927 61.300 -0.334 0.000 1.459 433 I CB -0.242 37.463 38.000 -0.492 0.000 1.149 433 I HN 0.171 nan 8.210 nan 0.000 0.443 434 G N -0.008 108.659 108.800 -0.221 0.000 2.426 434 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.214 434 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.214 434 G C 0.682 175.499 174.900 -0.138 0.000 1.156 434 G CA 0.113 45.110 45.100 -0.172 0.000 0.802 434 G HN 0.350 nan 8.290 nan 0.000 0.534 435 C N 1.852 121.053 119.300 -0.164 0.000 2.210 435 C HA 0.396 4.856 4.460 -0.000 0.000 0.377 435 C C 1.615 176.543 174.990 -0.103 0.000 1.037 435 C CA -0.563 58.376 59.018 -0.132 0.000 1.405 435 C CB -0.669 26.959 27.740 -0.186 0.000 1.802 435 C HN 0.430 nan 8.230 nan 0.000 0.495 436 K N 0.945 121.305 120.400 -0.067 0.000 2.211 436 K HA 0.004 4.324 4.320 -0.000 0.000 0.201 436 K C 1.844 178.434 176.600 -0.018 0.000 1.052 436 K CA 0.791 57.050 56.287 -0.048 0.000 0.973 436 K CB 0.208 32.684 32.500 -0.040 0.000 0.766 436 K HN 0.576 nan 8.250 nan 0.000 0.466 437 K N 0.753 121.152 120.400 -0.001 0.000 2.288 437 K HA -0.027 4.293 4.320 -0.000 0.000 0.201 437 K C 0.346 176.972 176.600 0.044 0.000 1.048 437 K CA 0.084 56.385 56.287 0.023 0.000 0.956 437 K CB -0.189 32.330 32.500 0.032 0.000 0.746 437 K HN -0.020 nan 8.250 nan 0.000 0.461 438 L N 2.290 123.539 121.223 0.044 0.000 2.795 438 L HA -0.186 4.154 4.340 -0.000 0.000 0.290 438 L C 1.223 178.158 176.870 0.109 0.000 1.206 438 L CA 0.970 55.861 54.840 0.085 0.000 0.919 438 L CB 0.168 42.259 42.059 0.054 0.000 1.227 438 L HN 0.089 nan 8.230 nan 0.000 0.483 439 R N 3.290 123.883 120.500 0.154 0.000 2.307 439 R HA 0.257 4.596 4.340 -0.000 0.000 0.200 439 R C -0.209 176.251 176.300 0.266 0.000 0.893 439 R CA 0.050 56.256 56.100 0.175 0.000 1.042 439 R CB 0.458 30.850 30.300 0.153 0.000 1.059 439 R HN 0.570 nan 8.270 nan 0.000 0.530 440 R N 0.098 120.791 120.500 0.322 0.000 2.574 440 R HA 0.305 4.645 4.340 -0.000 0.000 0.288 440 R C -1.698 174.882 176.300 0.467 0.000 1.004 440 R CA -0.643 55.750 56.100 0.490 0.000 0.895 440 R CB 2.041 32.687 30.300 0.577 0.000 1.191 440 R HN -0.149 nan 8.270 nan 0.000 0.444 441 F N 1.662 121.717 119.950 0.176 0.000 2.557 441 F HA 0.698 5.224 4.527 -0.000 0.000 0.316 441 F C -1.506 174.269 175.800 -0.041 0.000 1.141 441 F CA -0.604 57.461 58.000 0.109 0.000 0.922 441 F CB 2.025 41.077 39.000 0.087 0.000 1.194 441 F HN 0.682 nan 8.300 nan 0.000 0.443 442 A N 5.371 127.876 122.820 -0.525 0.000 2.374 442 A HA 0.761 5.081 4.320 -0.000 0.000 0.305 442 A C -2.274 174.957 177.584 -0.588 0.000 1.053 442 A CA -0.423 51.321 52.037 -0.489 0.000 0.726 442 A CB 0.869 19.777 19.000 -0.153 0.000 1.229 442 A HN 0.639 nan 8.150 nan 0.000 0.431 443 F N 2.807 122.379 119.950 -0.629 0.000 2.676 443 F HA 0.438 4.965 4.527 -0.000 0.000 0.371 443 F C -1.438 174.257 175.800 -0.174 0.000 1.141 443 F CA -1.285 56.456 58.000 -0.431 0.000 1.133 443 F CB 0.819 39.612 39.000 -0.346 0.000 1.376 443 F HN 0.568 nan 8.300 nan 0.000 0.491 444 Y N 5.975 126.073 120.300 -0.336 0.000 2.353 444 Y HA 0.631 5.181 4.550 -0.000 0.000 0.340 444 Y C -0.731 174.976 175.900 -0.322 0.000 0.972 444 Y CA -0.292 57.621 58.100 -0.311 0.000 1.157 444 Y CB 0.735 39.027 38.460 -0.281 0.000 1.157 444 Y HN 0.495 nan 8.280 nan 0.000 0.495 445 L N 4.511 125.414 121.223 -0.532 0.000 2.426 445 L HA 0.662 5.001 4.340 -0.000 0.000 0.260 445 L C -0.206 176.588 176.870 -0.127 0.000 1.233 445 L CA -1.489 53.158 54.840 -0.322 0.000 1.267 445 L CB 1.332 43.181 42.059 -0.350 0.000 1.814 445 L HN 0.478 nan 8.230 nan 0.000 0.561 446 R N -0.490 119.937 120.500 -0.123 0.000 2.981 446 R HA 0.403 4.742 4.340 -0.000 0.000 0.228 446 R C -0.236 175.928 176.300 -0.226 0.000 1.421 446 R CA -0.700 55.276 56.100 -0.207 0.000 1.073 446 R CB 0.361 30.543 30.300 -0.196 0.000 1.568 446 R HN 0.267 nan 8.270 nan 0.000 0.514 447 Q N -0.124 119.478 119.800 -0.330 0.000 2.239 447 Q HA 0.219 4.559 4.340 -0.000 0.000 0.219 447 Q C 0.049 175.980 176.000 -0.116 0.000 0.901 447 Q CA 0.542 56.219 55.803 -0.210 0.000 0.949 447 Q CB 0.034 28.619 28.738 -0.256 0.000 1.038 447 Q HN 0.776 nan 8.270 nan 0.000 0.458 448 G N -1.725 107.017 108.800 -0.097 0.000 2.727 448 G HA2 0.434 4.394 3.960 -0.000 0.000 0.212 448 G HA3 0.434 4.394 3.960 -0.000 0.000 0.212 448 G C 0.884 175.767 174.900 -0.028 0.000 2.076 448 G CA 0.239 45.309 45.100 -0.051 0.000 0.744 448 G HN 0.506 nan 8.290 nan 0.000 0.775 449 G N 0.111 108.898 108.800 -0.022 0.000 3.947 449 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.365 449 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.365 449 G C 0.396 175.327 174.900 0.052 0.000 1.532 449 G CA 1.288 46.382 45.100 -0.010 0.000 1.426 449 G HN 1.110 nan 8.290 nan 0.000 0.794 450 L N 1.963 123.222 121.223 0.060 0.000 2.334 450 L HA 0.736 5.076 4.340 -0.000 0.000 0.275 450 L C 1.187 178.107 176.870 0.083 0.000 1.036 450 L CA 0.593 55.508 54.840 0.126 0.000 0.807 450 L CB 1.888 44.068 42.059 0.202 0.000 1.231 450 L HN 0.957 nan 8.230 nan 0.000 0.438 451 T N -1.505 113.095 114.554 0.077 0.000 2.864 451 T HA 0.345 4.695 4.350 -0.000 0.000 0.276 451 T C 0.334 175.048 174.700 0.023 0.000 1.006 451 T CA -0.443 61.681 62.100 0.039 0.000 0.970 451 T CB 0.637 69.515 68.868 0.016 0.000 1.420 451 T HN 0.503 nan 8.240 nan 0.000 0.601 452 D N -0.230 120.164 120.400 -0.010 0.000 2.340 452 D HA 0.207 4.847 4.640 -0.000 0.000 0.220 452 D C 1.514 177.747 176.300 -0.113 0.000 1.039 452 D CA 0.117 54.093 54.000 -0.041 0.000 0.866 452 D CB -0.005 40.771 40.800 -0.039 0.000 0.913 452 D HN 0.353 nan 8.370 nan 0.000 0.523 453 L N -0.317 120.803 121.223 -0.171 0.000 2.298 453 L HA 0.142 4.481 4.340 -0.000 0.000 0.209 453 L C 2.045 178.522 176.870 -0.654 0.000 1.084 453 L CA 0.603 55.200 54.840 -0.405 0.000 0.816 453 L CB -0.146 41.688 42.059 -0.375 0.000 0.967 453 L HN 0.046 nan 8.230 nan 0.000 0.460 454 G N 0.387 109.039 108.800 -0.246 0.000 2.484 454 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 454 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 454 G C 1.472 176.444 174.900 0.119 0.000 1.219 454 G CA 0.510 45.638 45.100 0.046 0.000 0.791 454 G HN 0.273 nan 8.290 nan 0.000 0.550 455 L N 0.962 122.248 121.223 0.106 0.000 2.270 455 L HA -0.143 4.197 4.340 -0.000 0.000 0.217 455 L C 3.051 180.022 176.870 0.169 0.000 1.107 455 L CA 1.177 56.106 54.840 0.150 0.000 0.772 455 L CB -0.213 41.872 42.059 0.043 0.000 0.902 455 L HN 0.387 nan 8.230 nan 0.000 0.439 456 S N -1.067 114.640 115.700 0.012 0.000 2.377 456 S HA -0.127 4.342 4.470 -0.000 0.000 0.223 456 S C 1.973 176.588 174.600 0.026 0.000 1.030 456 S CA 0.671 58.849 58.200 -0.036 0.000 0.970 456 S CB -0.186 62.907 63.200 -0.177 0.000 0.830 456 S HN 0.434 nan 8.310 nan 0.000 0.473 457 Y N 1.374 121.714 120.300 0.067 0.000 2.133 457 Y HA -0.068 4.482 4.550 -0.000 0.000 0.287 457 Y C 2.481 178.442 175.900 0.102 0.000 1.134 457 Y CA 0.968 59.133 58.100 0.108 0.000 1.133 457 Y CB -0.187 38.385 38.460 0.187 0.000 0.987 457 Y HN 0.241 nan 8.280 nan 0.000 0.502 458 I N -0.187 120.565 120.570 0.303 0.000 2.091 458 I HA -0.258 3.912 4.170 -0.000 0.000 0.239 458 I C 2.211 178.403 176.117 0.125 0.000 1.061 458 I CA 1.864 63.288 61.300 0.207 0.000 1.317 458 I CB -1.407 36.771 38.000 0.296 0.000 1.031 458 I HN 0.250 nan 8.210 nan 0.000 0.401 459 G N -0.088 108.801 108.800 0.148 0.000 3.295 459 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.231 459 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.231 459 G C 1.123 175.871 174.900 -0.254 0.000 1.277 459 G CA 0.056 45.011 45.100 -0.241 0.000 1.013 459 G HN 0.549 nan 8.290 nan 0.000 0.509 460 Q N -1.165 118.509 119.800 -0.209 0.000 2.237 460 Q HA 0.154 4.494 4.340 -0.000 0.000 0.254 460 Q C 0.112 175.855 176.000 -0.429 0.000 0.771 460 Q CA -0.130 55.455 55.803 -0.365 0.000 0.958 460 Q CB 0.758 29.202 28.738 -0.490 0.000 1.202 460 Q HN 0.521 nan 8.270 nan 0.000 0.492 461 Y N 0.784 121.042 120.300 -0.070 0.000 2.713 461 Y HA 0.321 4.870 4.550 -0.000 0.000 0.269 461 Y C -0.206 175.615 175.900 -0.132 0.000 1.106 461 Y CA -0.418 57.624 58.100 -0.097 0.000 1.174 461 Y CB 1.611 40.003 38.460 -0.113 0.000 1.186 461 Y HN 0.066 nan 8.280 nan 0.000 0.555 462 S N -1.864 113.827 115.700 -0.015 0.000 2.204 462 S HA 0.308 4.778 4.470 -0.000 0.000 0.178 462 S C -2.612 171.971 174.600 -0.029 0.000 1.493 462 S CA -1.218 56.952 58.200 -0.050 0.000 1.266 462 S CB 0.631 63.785 63.200 -0.077 0.000 1.232 462 S HN -0.004 nan 8.310 nan 0.000 0.406 463 P HA 0.047 nan 4.420 nan 0.000 0.219 463 P C 0.714 178.018 177.300 0.006 0.000 1.150 463 P CA 1.035 64.128 63.100 -0.012 0.000 0.814 463 P CB -0.027 31.670 31.700 -0.004 0.000 0.787 464 N N -1.524 117.186 118.700 0.018 0.000 2.373 464 N HA 0.017 4.756 4.740 -0.000 0.000 0.181 464 N C -0.178 175.373 175.510 0.069 0.000 1.082 464 N CA 0.148 53.222 53.050 0.040 0.000 0.885 464 N CB -0.204 38.307 38.487 0.040 0.000 0.977 464 N HN -0.085 nan 8.380 nan 0.000 0.462 465 V N 1.572 121.528 119.914 0.070 0.000 2.421 465 V HA 0.052 4.172 4.120 -0.000 0.000 0.271 465 V C 1.017 177.201 176.094 0.151 0.000 1.031 465 V CA 0.360 62.733 62.300 0.121 0.000 1.032 465 V CB 0.923 32.811 31.823 0.108 0.000 1.009 465 V HN 0.147 nan 8.190 nan 0.000 0.477 466 R N 3.563 124.186 120.500 0.205 0.000 2.308 466 R HA 0.176 4.516 4.340 -0.000 0.000 0.202 466 R C 0.047 176.556 176.300 0.349 0.000 0.898 466 R CA 0.130 56.367 56.100 0.228 0.000 1.046 466 R CB 0.559 30.974 30.300 0.192 0.000 1.026 466 R HN 0.806 nan 8.270 nan 0.000 0.512 467 W N 0.973 122.372 121.300 0.164 0.000 3.129 467 W HA 0.526 5.186 4.660 -0.000 0.000 0.333 467 W C -2.080 174.574 176.519 0.226 0.000 1.141 467 W CA -0.851 56.604 57.345 0.184 0.000 1.224 467 W CB 1.088 30.633 29.460 0.142 0.000 1.393 467 W HN -0.196 nan 8.180 nan 0.000 0.499 468 M N 6.833 126.080 119.600 -0.589 0.000 2.386 468 M HA 0.364 4.844 4.480 -0.000 0.000 0.293 468 M C -1.551 174.146 176.300 -1.004 0.000 1.120 468 M CA -1.091 53.821 55.300 -0.647 0.000 0.909 468 M CB 2.511 35.096 32.600 -0.026 0.000 1.661 468 M HN 0.275 nan 8.290 nan 0.000 0.452 469 L N 4.796 125.512 121.223 -0.845 0.000 2.337 469 L HA 0.537 4.876 4.340 -0.000 0.000 0.269 469 L C -1.516 175.239 176.870 -0.192 0.000 1.018 469 L CA -0.249 54.293 54.840 -0.496 0.000 0.876 469 L CB 0.740 42.601 42.059 -0.329 0.000 1.236 469 L HN 0.666 nan 8.230 nan 0.000 0.436 470 L N 5.158 126.317 121.223 -0.107 0.000 2.260 470 L HA 0.511 4.851 4.340 -0.000 0.000 0.289 470 L C 1.260 178.052 176.870 -0.130 0.000 1.057 470 L CA -0.376 54.429 54.840 -0.059 0.000 0.811 470 L CB 0.827 42.855 42.059 -0.051 0.000 1.184 470 L HN 0.699 nan 8.230 nan 0.000 0.429 471 G N 2.017 110.667 108.800 -0.250 0.000 2.486 471 G HA2 0.063 4.023 3.960 -0.000 0.000 0.272 471 G HA3 0.063 4.023 3.960 -0.000 0.000 0.272 471 G C -0.597 173.897 174.900 -0.677 0.000 1.426 471 G CA -0.468 44.106 45.100 -0.876 0.000 1.058 471 G HN 0.470 nan 8.290 nan 0.000 0.531 472 Y N 0.056 119.915 120.300 -0.736 0.000 2.754 472 Y HA 0.321 4.871 4.550 -0.000 0.000 0.349 472 Y C 0.751 176.471 175.900 -0.301 0.000 1.179 472 Y CA -0.045 57.799 58.100 -0.427 0.000 1.538 472 Y CB -0.119 38.128 38.460 -0.355 0.000 1.200 472 Y HN 0.318 nan 8.280 nan 0.000 0.522 473 V N 0.827 120.691 119.914 -0.085 0.000 2.808 473 V HA 1.044 5.164 4.120 -0.000 0.000 0.308 473 V C -0.025 176.140 176.094 0.119 0.000 1.099 473 V CA -0.409 61.901 62.300 0.016 0.000 0.920 473 V CB 1.470 33.334 31.823 0.069 0.000 1.014 473 V HN 1.129 nan 8.190 nan 0.000 0.425 474 G N 2.942 111.831 108.800 0.148 0.000 2.483 474 G HA2 0.163 4.123 3.960 -0.000 0.000 0.521 474 G HA3 0.163 4.123 3.960 -0.000 0.000 0.521 474 G C -0.386 174.616 174.900 0.171 0.000 1.278 474 G CA 0.349 45.591 45.100 0.236 0.000 0.965 474 G HN 1.015 nan 8.290 nan 0.000 0.504 475 E N -1.340 118.981 120.200 0.202 0.000 3.590 475 E HA 0.215 4.565 4.350 -0.000 0.000 0.223 475 E C 1.167 177.857 176.600 0.150 0.000 1.195 475 E CA 0.892 57.365 56.400 0.122 0.000 1.670 475 E CB 0.505 30.242 29.700 0.060 0.000 1.578 475 E HN 1.206 nan 8.360 nan 0.000 0.763 476 S N 0.599 116.380 115.700 0.135 0.000 2.709 476 S HA 0.346 4.816 4.470 -0.000 0.000 0.302 476 S C -0.133 174.509 174.600 0.070 0.000 1.127 476 S CA -0.590 57.680 58.200 0.117 0.000 0.905 476 S CB 1.635 64.862 63.200 0.045 0.000 1.151 476 S HN -0.190 nan 8.310 nan 0.000 0.510 477 D N 0.780 121.209 120.400 0.048 0.000 2.407 477 D HA 0.046 4.686 4.640 -0.000 0.000 0.234 477 D C 1.184 177.389 176.300 -0.160 0.000 1.029 477 D CA 0.503 54.451 54.000 -0.087 0.000 0.937 477 D CB -0.030 40.768 40.800 -0.004 0.000 0.882 477 D HN 0.486 nan 8.370 nan 0.000 0.531 478 E N -0.176 119.953 120.200 -0.118 0.000 2.170 478 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 478 E C 2.189 178.698 176.600 -0.151 0.000 0.981 478 E CA 0.580 56.917 56.400 -0.106 0.000 0.830 478 E CB -0.085 29.578 29.700 -0.062 0.000 0.775 478 E HN 0.382 nan 8.360 nan 0.000 0.470 479 G N 1.043 109.716 108.800 -0.212 0.000 2.464 479 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 479 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 479 G C 1.507 176.187 174.900 -0.366 0.000 1.138 479 G CA 0.088 45.055 45.100 -0.222 0.000 0.793 479 G HN 0.181 nan 8.290 nan 0.000 0.539 480 L N 0.026 120.812 121.223 -0.728 0.000 2.395 480 L HA 0.240 4.580 4.340 -0.000 0.000 0.218 480 L C 2.267 179.031 176.870 -0.177 0.000 1.130 480 L CA 1.101 55.548 54.840 -0.655 0.000 0.826 480 L CB -0.188 41.253 42.059 -1.030 0.000 0.941 480 L HN 0.035 nan 8.230 nan 0.000 0.451 481 M N -0.916 118.587 119.600 -0.161 0.000 2.191 481 M HA 0.028 4.507 4.480 -0.000 0.000 0.262 481 M C 1.929 178.215 176.300 -0.023 0.000 1.083 481 M CA 1.040 56.301 55.300 -0.065 0.000 1.154 481 M CB -1.173 31.382 32.600 -0.076 0.000 1.344 481 M HN 0.156 nan 8.290 nan 0.000 0.431 482 E N -0.305 119.874 120.200 -0.035 0.000 2.333 482 E HA -0.193 4.157 4.350 -0.000 0.000 0.200 482 E C 1.783 178.397 176.600 0.022 0.000 1.010 482 E CA 1.089 57.473 56.400 -0.026 0.000 0.841 482 E CB -0.497 29.172 29.700 -0.051 0.000 0.757 482 E HN 0.556 nan 8.360 nan 0.000 0.508 483 F N 1.415 121.298 119.950 -0.112 0.000 2.243 483 F HA -0.086 4.441 4.527 -0.000 0.000 0.287 483 F C 2.511 178.269 175.800 -0.070 0.000 1.067 483 F CA 1.194 59.145 58.000 -0.082 0.000 1.304 483 F CB -0.343 38.612 39.000 -0.075 0.000 1.087 483 F HN -0.032 nan 8.300 nan 0.000 0.513 484 S N 1.561 117.309 115.700 0.081 0.000 2.462 484 S HA -0.220 4.250 4.470 -0.000 0.000 0.243 484 S C 1.942 176.453 174.600 -0.148 0.000 1.003 484 S CA 0.969 59.145 58.200 -0.040 0.000 0.970 484 S CB -0.845 62.387 63.200 0.053 0.000 0.762 484 S HN 0.544 nan 8.310 nan 0.000 0.510 485 R N 1.210 121.626 120.500 -0.139 0.000 2.070 485 R HA 0.044 4.384 4.340 -0.000 0.000 0.233 485 R C 2.415 178.611 176.300 -0.175 0.000 1.137 485 R CA 1.350 57.371 56.100 -0.131 0.000 0.945 485 R CB -1.290 28.945 30.300 -0.108 0.000 0.845 485 R HN 0.529 nan 8.270 nan 0.000 0.430 486 G N 1.106 109.758 108.800 -0.247 0.000 2.948 486 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.174 486 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.174 486 G C 0.018 174.763 174.900 -0.258 0.000 1.839 486 G CA 0.248 45.201 45.100 -0.245 0.000 0.908 486 G HN 0.509 nan 8.290 nan 0.000 0.419 487 C N 1.432 120.544 119.300 -0.314 0.000 2.377 487 C HA -0.078 4.381 4.460 -0.000 0.000 0.189 487 C C -0.897 174.013 174.990 -0.134 0.000 1.332 487 C CA -0.005 58.864 59.018 -0.247 0.000 2.640 487 C CB -1.699 25.812 27.740 -0.381 0.000 1.632 487 C HN 0.454 nan 8.230 nan 0.000 0.295 488 P HA -0.042 nan 4.420 nan 0.000 0.220 488 P C 0.875 178.169 177.300 -0.011 0.000 1.152 488 P CA 1.454 64.525 63.100 -0.049 0.000 0.812 488 P CB 0.113 31.788 31.700 -0.041 0.000 0.792 489 N N -1.716 116.989 118.700 0.008 0.000 2.197 489 N HA 0.136 4.876 4.740 -0.000 0.000 0.201 489 N C 0.079 175.640 175.510 0.086 0.000 1.148 489 N CA -0.322 52.756 53.050 0.047 0.000 0.883 489 N CB 0.255 38.772 38.487 0.050 0.000 1.012 489 N HN 0.012 nan 8.380 nan 0.000 0.507 490 L N 2.168 123.439 121.223 0.080 0.000 2.700 490 L HA -0.153 4.187 4.340 -0.000 0.000 0.276 490 L C 0.877 177.856 176.870 0.182 0.000 1.200 490 L CA 0.744 55.666 54.840 0.136 0.000 0.951 490 L CB 0.477 42.601 42.059 0.109 0.000 1.226 490 L HN 0.382 nan 8.230 nan 0.000 0.489 491 Q N 3.279 123.222 119.800 0.239 0.000 2.525 491 Q HA 0.083 4.423 4.340 -0.000 0.000 0.203 491 Q C -0.067 176.161 176.000 0.380 0.000 0.947 491 Q CA 0.219 56.191 55.803 0.283 0.000 0.881 491 Q CB 0.317 29.201 28.738 0.244 0.000 1.049 491 Q HN 0.502 nan 8.270 nan 0.000 0.600 492 K N 1.540 122.200 120.400 0.433 0.000 2.248 492 K HA 0.340 4.659 4.320 -0.000 0.000 0.281 492 K C -1.013 175.897 176.600 0.517 0.000 1.054 492 K CA -0.188 56.452 56.287 0.588 0.000 0.903 492 K CB 1.166 34.069 32.500 0.671 0.000 1.077 492 K HN -0.037 nan 8.250 nan 0.000 0.474 493 L N 2.243 123.745 121.223 0.466 0.000 2.333 493 L HA 0.402 4.742 4.340 -0.000 0.000 0.280 493 L C -1.157 175.895 176.870 0.303 0.000 1.004 493 L CA -0.076 54.934 54.840 0.284 0.000 0.820 493 L CB 1.331 43.553 42.059 0.272 0.000 1.247 493 L HN 0.631 nan 8.230 nan 0.000 0.416 494 E N 6.259 126.540 120.200 0.135 0.000 2.244 494 E HA 0.419 4.769 4.350 -0.000 0.000 0.260 494 E C -1.202 175.494 176.600 0.161 0.000 0.884 494 E CA -0.330 56.249 56.400 0.297 0.000 0.777 494 E CB 2.051 31.958 29.700 0.345 0.000 1.197 494 E HN 0.596 nan 8.360 nan 0.000 0.416 495 M N 3.123 122.838 119.600 0.192 0.000 2.022 495 M HA 0.298 4.778 4.480 -0.000 0.000 0.298 495 M C -0.859 175.414 176.300 -0.045 0.000 0.909 495 M CA -0.323 54.986 55.300 0.014 0.000 0.914 495 M CB 1.460 34.038 32.600 -0.036 0.000 1.486 495 M HN 0.173 nan 8.290 nan 0.000 0.415 496 R N 2.095 122.576 120.500 -0.032 0.000 2.337 496 R HA 0.566 4.906 4.340 -0.000 0.000 0.319 496 R C -0.027 176.066 176.300 -0.346 0.000 0.954 496 R CA 0.254 56.313 56.100 -0.067 0.000 0.840 496 R CB 1.125 31.501 30.300 0.127 0.000 1.164 496 R HN 0.942 nan 8.270 nan 0.000 0.472 497 G N 3.052 111.642 108.800 -0.350 0.000 2.618 497 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.180 497 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.180 497 G C -0.799 173.944 174.900 -0.261 0.000 1.092 497 G CA -0.512 44.317 45.100 -0.453 0.000 0.856 497 G HN 0.610 nan 8.290 nan 0.000 0.496 498 C N 1.166 120.294 119.300 -0.287 0.000 2.478 498 C HA 0.411 4.871 4.460 -0.000 0.000 0.334 498 C C 1.889 176.553 174.990 -0.543 0.000 1.106 498 C CA -0.312 58.368 59.018 -0.563 0.000 1.363 498 C CB -0.301 26.988 27.740 -0.752 0.000 1.941 498 C HN 1.169 nan 8.230 nan 0.000 0.436 499 C N 0.349 119.366 119.300 -0.472 0.000 2.503 499 C HA 0.149 4.609 4.460 -0.000 0.000 0.302 499 C C 0.985 175.939 174.990 -0.061 0.000 1.475 499 C CA -0.406 58.486 59.018 -0.209 0.000 1.625 499 C CB -2.798 24.874 27.740 -0.113 0.000 1.564 499 C HN 0.689 nan 8.230 nan 0.000 0.603 500 F N 2.189 122.152 119.950 0.020 0.000 2.373 500 F HA 0.458 4.984 4.527 -0.000 0.000 0.302 500 F C 1.148 176.982 175.800 0.056 0.000 1.247 500 F CA -0.363 57.647 58.000 0.017 0.000 1.169 500 F CB 0.443 39.437 39.000 -0.010 0.000 1.309 500 F HN 0.224 nan 8.300 nan 0.000 0.537 501 S N -1.406 114.451 115.700 0.262 0.000 2.568 501 S HA 0.282 4.752 4.470 -0.000 0.000 0.293 501 S C 0.247 174.945 174.600 0.164 0.000 1.089 501 S CA -0.922 57.393 58.200 0.193 0.000 0.945 501 S CB 1.916 65.193 63.200 0.128 0.000 1.077 501 S HN 0.695 nan 8.310 nan 0.000 0.485 502 E N 1.629 121.946 120.200 0.195 0.000 2.132 502 E HA -0.328 4.022 4.350 -0.000 0.000 0.218 502 E C 2.288 178.930 176.600 0.069 0.000 1.058 502 E CA 2.151 58.631 56.400 0.132 0.000 0.882 502 E CB -0.374 29.422 29.700 0.161 0.000 0.774 502 E HN 0.758 nan 8.360 nan 0.000 0.467 503 R N 0.992 121.530 120.500 0.064 0.000 2.091 503 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 503 R C 2.054 178.371 176.300 0.028 0.000 1.136 503 R CA 1.771 57.893 56.100 0.038 0.000 0.959 503 R CB -0.581 29.738 30.300 0.031 0.000 0.856 503 R HN 0.164 nan 8.270 nan 0.000 0.437 504 A N 0.805 123.649 122.820 0.039 0.000 2.123 504 A HA 0.179 4.499 4.320 -0.000 0.000 0.214 504 A C 2.212 179.806 177.584 0.017 0.000 1.152 504 A CA 0.275 52.324 52.037 0.019 0.000 0.728 504 A CB -0.142 18.867 19.000 0.014 0.000 0.814 504 A HN 0.295 nan 8.150 nan 0.000 0.464 505 I N -0.433 120.162 120.570 0.040 0.000 2.188 505 I HA -0.172 3.997 4.170 -0.000 0.000 0.237 505 I C 2.908 179.033 176.117 0.013 0.000 1.073 505 I CA 0.958 62.275 61.300 0.029 0.000 1.359 505 I CB -0.430 37.565 38.000 -0.009 0.000 1.083 505 I HN 0.303 nan 8.210 nan 0.000 0.412 506 A N 0.791 123.614 122.820 0.006 0.000 2.093 506 A HA -0.246 4.074 4.320 -0.000 0.000 0.222 506 A C 2.361 179.939 177.584 -0.010 0.000 1.162 506 A CA 2.110 54.150 52.037 0.005 0.000 0.655 506 A CB -0.723 18.284 19.000 0.011 0.000 0.805 506 A HN 0.525 nan 8.150 nan 0.000 0.461 507 A N -0.485 122.331 122.820 -0.006 0.000 1.861 507 A HA 0.345 4.665 4.320 -0.000 0.000 0.212 507 A C 2.516 180.090 177.584 -0.017 0.000 1.199 507 A CA 1.562 53.590 52.037 -0.015 0.000 0.613 507 A CB -1.116 17.877 19.000 -0.012 0.000 0.846 507 A HN 1.072 nan 8.150 nan 0.000 0.446 508 A N -0.335 122.484 122.820 -0.001 0.000 1.908 508 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 508 A C 2.226 179.819 177.584 0.016 0.000 1.181 508 A CA 1.873 53.924 52.037 0.023 0.000 0.627 508 A CB -1.047 17.991 19.000 0.064 0.000 0.818 508 A HN 0.361 nan 8.150 nan 0.000 0.445 509 V N -0.071 119.842 119.914 -0.000 0.000 2.219 509 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 509 V C 2.680 178.707 176.094 -0.112 0.000 1.053 509 V CA 2.672 64.944 62.300 -0.046 0.000 1.009 509 V CB -1.482 30.298 31.823 -0.072 0.000 0.636 509 V HN 0.668 nan 8.190 nan 0.000 0.445 510 T N -0.308 114.173 114.554 -0.121 0.000 2.522 510 T HA -0.427 3.922 4.350 -0.000 0.000 0.253 510 T C 1.908 176.560 174.700 -0.080 0.000 1.218 510 T CA 2.455 64.487 62.100 -0.112 0.000 1.155 510 T CB -0.487 68.336 68.868 -0.075 0.000 0.855 510 T HN 0.263 nan 8.240 nan 0.000 0.435 511 K N 0.902 121.269 120.400 -0.055 0.000 2.127 511 K HA 0.011 4.331 4.320 -0.000 0.000 0.208 511 K C 0.638 177.207 176.600 -0.052 0.000 1.047 511 K CA 0.873 57.131 56.287 -0.049 0.000 0.927 511 K CB -0.809 31.666 32.500 -0.041 0.000 0.716 511 K HN 0.378 nan 8.250 nan 0.000 0.450 512 L N 1.334 122.532 121.223 -0.042 0.000 2.367 512 L HA 0.091 4.431 4.340 -0.000 0.000 0.275 512 L C -1.550 175.308 176.870 -0.020 0.000 1.129 512 L CA -1.331 53.489 54.840 -0.033 0.000 0.839 512 L CB 0.851 42.915 42.059 0.008 0.000 1.133 512 L HN 0.116 nan 8.230 nan 0.000 0.453 513 P HA 0.030 nan 4.420 nan 0.000 0.222 513 P C 0.877 178.197 177.300 0.033 0.000 1.157 513 P CA 0.435 63.534 63.100 -0.001 0.000 0.816 513 P CB 0.515 32.206 31.700 -0.013 0.000 0.813 514 S N -0.953 114.783 115.700 0.059 0.000 2.578 514 S HA 0.216 4.686 4.470 -0.000 0.000 0.231 514 S C 0.352 175.058 174.600 0.177 0.000 0.994 514 S CA -0.375 57.883 58.200 0.098 0.000 0.956 514 S CB -0.444 62.808 63.200 0.086 0.000 0.870 514 S HN -0.030 nan 8.310 nan 0.000 0.494 515 L N 3.775 125.115 121.223 0.195 0.000 2.433 515 L HA 0.278 4.617 4.340 -0.000 0.000 0.284 515 L C 1.136 178.303 176.870 0.495 0.000 1.120 515 L CA 0.057 55.069 54.840 0.287 0.000 0.879 515 L CB 0.303 42.475 42.059 0.188 0.000 1.232 515 L HN 0.168 nan 8.230 nan 0.000 0.454 516 R N 3.304 124.151 120.500 0.579 0.000 2.334 516 R HA 0.168 4.508 4.340 -0.000 0.000 0.212 516 R C -0.573 176.225 176.300 0.830 0.000 0.897 516 R CA -0.089 56.511 56.100 0.833 0.000 1.056 516 R CB 0.138 30.794 30.300 0.595 0.000 1.046 516 R HN 0.457 nan 8.270 nan 0.000 0.513 517 Y N 0.189 120.807 120.300 0.530 0.000 2.482 517 Y HA 0.506 5.056 4.550 -0.000 0.000 0.334 517 Y C -2.156 173.991 175.900 0.412 0.000 1.091 517 Y CA -1.509 56.848 58.100 0.429 0.000 1.027 517 Y CB 2.044 40.718 38.460 0.356 0.000 1.306 517 Y HN 0.030 nan 8.280 nan 0.000 0.446 518 L N 7.048 128.290 121.223 0.031 0.000 2.470 518 L HA 0.562 4.901 4.340 -0.000 0.000 0.268 518 L C -2.242 174.558 176.870 -0.117 0.000 0.964 518 L CA -0.377 54.512 54.840 0.082 0.000 0.839 518 L CB 1.563 43.736 42.059 0.189 0.000 1.276 518 L HN 0.751 nan 8.230 nan 0.000 0.403 519 W N 7.492 128.701 121.300 -0.152 0.000 2.683 519 W HA 0.750 5.409 4.660 -0.000 0.000 0.329 519 W C -2.343 174.117 176.519 -0.098 0.000 1.037 519 W CA -0.792 56.464 57.345 -0.149 0.000 1.232 519 W CB 1.790 31.225 29.460 -0.042 0.000 1.390 519 W HN 0.353 nan 8.180 nan 0.000 0.465 520 V N 6.066 125.451 119.914 -0.881 0.000 2.525 520 V HA 0.234 4.353 4.120 -0.000 0.000 0.299 520 V C -0.389 175.087 176.094 -1.029 0.000 1.034 520 V CA -0.590 61.241 62.300 -0.781 0.000 0.863 520 V CB 1.804 33.362 31.823 -0.442 0.000 0.999 520 V HN 0.606 nan 8.190 nan 0.000 0.423 521 Q N 3.014 122.337 119.800 -0.796 0.000 2.322 521 Q HA 0.622 4.962 4.340 -0.000 0.000 0.265 521 Q C 0.164 176.085 176.000 -0.131 0.000 0.985 521 Q CA 0.168 55.687 55.803 -0.475 0.000 0.849 521 Q CB 1.805 30.343 28.738 -0.333 0.000 1.274 521 Q HN 1.237 nan 8.270 nan 0.000 0.449 522 G N 3.555 112.381 108.800 0.044 0.000 3.115 522 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.291 522 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.291 522 G C -1.347 173.602 174.900 0.083 0.000 1.012 522 G CA 0.137 45.260 45.100 0.038 0.000 0.929 522 G HN 0.774 nan 8.290 nan 0.000 0.413 523 Y N -0.767 119.474 120.300 -0.099 0.000 2.552 523 Y HA 0.739 5.289 4.550 -0.000 0.000 0.337 523 Y C -0.041 175.827 175.900 -0.053 0.000 1.094 523 Y CA -2.079 55.964 58.100 -0.095 0.000 1.028 523 Y CB 1.106 39.511 38.460 -0.091 0.000 1.321 523 Y HN 0.518 nan 8.280 nan 0.000 0.456 524 R N 2.659 123.147 120.500 -0.020 0.000 2.543 524 R HA 0.348 4.688 4.340 -0.000 0.000 0.348 524 R C 0.676 176.910 176.300 -0.110 0.000 0.981 524 R CA 0.718 56.775 56.100 -0.071 0.000 1.019 524 R CB -0.059 30.253 30.300 0.018 0.000 0.944 524 R HN 0.950 nan 8.270 nan 0.000 0.425 525 A N 2.621 125.246 122.820 -0.325 0.000 2.802 525 A HA 0.113 4.432 4.320 -0.000 0.000 0.204 525 A C 0.151 177.706 177.584 -0.048 0.000 1.677 525 A CA 0.446 52.280 52.037 -0.337 0.000 1.023 525 A CB 0.252 19.024 19.000 -0.380 0.000 1.619 525 A HN 0.609 nan 8.150 nan 0.000 0.751 526 S N -2.406 113.274 115.700 -0.033 0.000 3.572 526 S HA 0.117 4.587 4.470 -0.000 0.000 0.116 526 S C -0.474 174.131 174.600 0.008 0.000 0.834 526 S CA -0.269 57.936 58.200 0.008 0.000 0.803 526 S CB -0.497 62.732 63.200 0.047 0.000 1.335 526 S HN 0.792 nan 8.310 nan 0.000 0.650 527 M N 3.091 122.684 119.600 -0.011 0.000 2.210 527 M HA -0.038 4.441 4.480 -0.000 0.000 0.428 527 M C 0.608 176.912 176.300 0.007 0.000 1.344 527 M CA 1.597 56.893 55.300 -0.007 0.000 0.770 527 M CB -0.430 32.162 32.600 -0.012 0.000 1.960 527 M HN 0.658 nan 8.290 nan 0.000 0.521 528 T N 4.415 118.977 114.554 0.013 0.000 2.473 528 T HA -0.093 4.256 4.350 -0.000 0.000 0.503 528 T C 0.292 175.006 174.700 0.024 0.000 0.806 528 T CA 0.718 62.829 62.100 0.019 0.000 2.696 528 T CB -1.761 67.115 68.868 0.012 0.000 1.618 528 T HN 1.036 nan 8.240 nan 0.000 0.428 529 G N 1.914 110.737 108.800 0.039 0.000 2.319 529 G HA2 0.460 4.420 3.960 -0.000 0.000 0.308 529 G HA3 0.460 4.420 3.960 -0.000 0.000 0.308 529 G C 0.623 175.547 174.900 0.041 0.000 1.117 529 G CA -0.737 44.390 45.100 0.044 0.000 0.903 529 G HN 0.510 nan 8.290 nan 0.000 0.436 530 Q N 2.243 122.061 119.800 0.030 0.000 2.247 530 Q HA 0.048 4.388 4.340 -0.000 0.000 0.205 530 Q C 0.383 176.399 176.000 0.027 0.000 0.896 530 Q CA 0.134 55.952 55.803 0.025 0.000 0.950 530 Q CB 0.721 29.469 28.738 0.017 0.000 1.054 530 Q HN 0.704 nan 8.270 nan 0.000 0.482 531 D N 0.171 120.593 120.400 0.037 0.000 2.277 531 D HA -0.012 4.628 4.640 -0.000 0.000 0.208 531 D C 1.634 177.956 176.300 0.037 0.000 0.962 531 D CA 0.391 54.414 54.000 0.039 0.000 0.865 531 D CB 0.324 41.155 40.800 0.053 0.000 0.939 531 D HN 0.157 nan 8.370 nan 0.000 0.510 532 L N 0.090 121.337 121.223 0.039 0.000 2.023 532 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 532 L C 1.949 178.836 176.870 0.029 0.000 1.073 532 L CA 0.666 55.522 54.840 0.026 0.000 0.745 532 L CB -0.280 41.789 42.059 0.018 0.000 0.900 532 L HN 0.148 nan 8.230 nan 0.000 0.435 533 M N 0.173 119.789 119.600 0.027 0.000 2.514 533 M HA -0.212 4.268 4.480 -0.000 0.000 0.259 533 M C 1.269 177.582 176.300 0.021 0.000 1.073 533 M CA 1.266 56.582 55.300 0.026 0.000 1.049 533 M CB -1.023 31.588 32.600 0.019 0.000 1.392 533 M HN 0.433 nan 8.290 nan 0.000 0.466 534 Q N -0.569 119.240 119.800 0.015 0.000 2.292 534 Q HA 0.119 4.458 4.340 -0.000 0.000 0.247 534 Q C 1.176 177.173 176.000 -0.005 0.000 0.911 534 Q CA 0.215 56.020 55.803 0.004 0.000 0.948 534 Q CB -0.357 28.382 28.738 0.002 0.000 1.093 534 Q HN 0.583 nan 8.270 nan 0.000 0.428 535 M N -0.883 118.721 119.600 0.006 0.000 2.227 535 M HA 0.244 4.724 4.480 -0.000 0.000 0.422 535 M C -0.828 175.488 176.300 0.027 0.000 0.947 535 M CA 0.017 55.313 55.300 -0.007 0.000 1.034 535 M CB 1.132 33.761 32.600 0.048 0.000 2.060 535 M HN 0.143 nan 8.290 nan 0.000 0.689 536 A N 2.495 125.346 122.820 0.052 0.000 2.545 536 A HA 0.487 4.807 4.320 -0.000 0.000 0.297 536 A C -0.036 177.578 177.584 0.051 0.000 1.340 536 A CA -0.094 51.998 52.037 0.092 0.000 1.016 536 A CB -0.237 18.797 19.000 0.057 0.000 1.122 536 A HN 0.594 nan 8.150 nan 0.000 0.537 537 R N 2.335 122.876 120.500 0.069 0.000 2.541 537 R HA 0.409 4.749 4.340 -0.000 0.000 0.263 537 R C -1.320 175.042 176.300 0.104 0.000 1.112 537 R CA -1.384 54.740 56.100 0.040 0.000 1.170 537 R CB 0.134 30.410 30.300 -0.042 0.000 1.167 537 R HN 0.418 nan 8.270 nan 0.000 0.582 538 P HA -0.122 nan 4.420 nan 0.000 0.210 538 P C 0.223 177.532 177.300 0.015 0.000 1.192 538 P CA 1.317 64.393 63.100 -0.039 0.000 0.913 538 P CB 0.045 31.654 31.700 -0.152 0.000 0.774 539 Y N -2.021 118.464 120.300 0.309 0.000 2.496 539 Y HA 0.073 4.623 4.550 -0.000 0.000 0.313 539 Y C 0.519 176.671 175.900 0.419 0.000 1.184 539 Y CA -0.662 57.645 58.100 0.346 0.000 1.275 539 Y CB -0.167 38.497 38.460 0.341 0.000 1.103 539 Y HN 0.125 nan 8.280 nan 0.000 0.513 540 W N 2.142 123.523 121.300 0.136 0.000 2.393 540 W HA 0.325 4.985 4.660 -0.000 0.000 0.315 540 W C -1.544 174.863 176.519 -0.186 0.000 1.009 540 W CA -0.957 56.300 57.345 -0.147 0.000 1.313 540 W CB 0.812 30.046 29.460 -0.377 0.000 1.269 540 W HN -0.036 nan 8.180 nan 0.000 0.420 541 N N 5.678 123.969 118.700 -0.681 0.000 2.455 541 N HA 0.309 5.049 4.740 -0.000 0.000 0.280 541 N C -0.373 174.521 175.510 -1.026 0.000 1.055 541 N CA -0.236 52.364 53.050 -0.751 0.000 0.961 541 N CB 1.879 39.916 38.487 -0.749 0.000 1.121 541 N HN 0.507 nan 8.380 nan 0.000 0.476 542 I N -1.497 118.713 120.570 -0.600 0.000 2.603 542 I HA 0.611 4.781 4.170 -0.000 0.000 0.300 542 I C -0.411 175.552 176.117 -0.257 0.000 1.017 542 I CA -0.385 60.642 61.300 -0.454 0.000 1.098 542 I CB 1.779 39.621 38.000 -0.263 0.000 1.279 542 I HN 0.392 nan 8.210 nan 0.000 0.437 543 E N 5.505 125.613 120.200 -0.153 0.000 2.393 543 E HA 0.716 5.066 4.350 -0.000 0.000 0.273 543 E C -1.652 174.963 176.600 0.025 0.000 0.918 543 E CA -0.927 55.461 56.400 -0.020 0.000 0.773 543 E CB 2.710 32.465 29.700 0.092 0.000 1.275 543 E HN 0.542 nan 8.360 nan 0.000 0.451 544 L N 1.497 122.757 121.223 0.061 0.000 2.410 544 L HA 0.509 4.849 4.340 -0.000 0.000 0.270 544 L C -0.634 176.304 176.870 0.113 0.000 0.983 544 L CA -0.566 54.323 54.840 0.082 0.000 0.822 544 L CB 1.780 43.878 42.059 0.066 0.000 1.285 544 L HN 0.453 nan 8.230 nan 0.000 0.409 545 I N 3.279 123.930 120.570 0.135 0.000 2.377 545 I HA 0.302 4.472 4.170 -0.000 0.000 0.282 545 I C -2.120 173.988 176.117 -0.015 0.000 1.091 545 I CA -1.743 59.602 61.300 0.074 0.000 1.207 545 I CB 0.416 38.461 38.000 0.076 0.000 1.429 545 I HN 0.279 nan 8.210 nan 0.000 0.491 546 P HA -0.038 nan 4.420 nan 0.000 0.270 546 P C -0.317 176.963 177.300 -0.034 0.000 1.216 546 P CA 0.103 63.203 63.100 -0.001 0.000 0.788 546 P CB 0.371 32.076 31.700 0.007 0.000 0.883 547 S N 1.557 117.240 115.700 -0.027 0.000 2.423 547 S HA 0.227 4.696 4.470 -0.000 0.000 0.302 547 S C 0.354 174.939 174.600 -0.025 0.000 1.143 547 S CA -0.452 57.728 58.200 -0.032 0.000 1.080 547 S CB -0.372 62.806 63.200 -0.036 0.000 1.081 547 S HN 0.280 nan 8.310 nan 0.000 0.522 566 A N 1.562 124.406 122.820 0.041 0.000 2.425 566 A HA 0.460 4.780 4.320 -0.000 0.000 0.242 566 A C -0.316 177.441 177.584 0.290 0.000 1.077 566 A CA 0.258 52.357 52.037 0.104 0.000 0.781 566 A CB 0.069 19.091 19.000 0.038 0.000 1.020 566 A HN 0.633 nan 8.150 nan 0.000 0.494 567 H N 0.153 119.227 119.070 0.007 0.000 2.569 567 H HA 0.547 5.103 4.556 -0.000 0.000 0.357 567 H C -0.789 174.420 175.328 -0.198 0.000 1.153 567 H CA -0.734 55.188 56.048 -0.209 0.000 1.193 567 H CB 1.603 31.249 29.762 -0.193 0.000 1.602 567 H HN 0.503 nan 8.280 nan 0.000 0.523 568 I N 3.428 123.789 120.570 -0.348 0.000 2.474 568 I HA 0.231 4.401 4.170 -0.000 0.000 0.294 568 I C -1.014 174.960 176.117 -0.240 0.000 1.005 568 I CA -0.800 60.328 61.300 -0.286 0.000 1.113 568 I CB 2.226 39.988 38.000 -0.397 0.000 1.289 568 I HN 0.202 nan 8.210 nan 0.000 0.436 569 L N 5.657 126.829 121.223 -0.085 0.000 2.438 569 L HA 0.814 5.154 4.340 -0.000 0.000 0.270 569 L C -0.898 175.870 176.870 -0.171 0.000 0.972 569 L CA -0.076 54.752 54.840 -0.020 0.000 0.831 569 L CB 1.697 43.913 42.059 0.261 0.000 1.273 569 L HN 0.755 nan 8.230 nan 0.000 0.405 570 A N 4.346 126.976 122.820 -0.316 0.000 2.359 570 A HA 0.826 5.145 4.320 -0.000 0.000 0.303 570 A C -1.813 175.274 177.584 -0.829 0.000 1.066 570 A CA -0.371 51.218 52.037 -0.746 0.000 0.730 570 A CB 0.945 19.604 19.000 -0.568 0.000 1.211 570 A HN 0.780 nan 8.150 nan 0.000 0.439 571 Y N -0.926 118.771 120.300 -1.006 0.000 2.597 571 Y HA 0.702 5.251 4.550 -0.000 0.000 0.340 571 Y C -1.408 174.315 175.900 -0.296 0.000 1.097 571 Y CA -1.794 56.053 58.100 -0.421 0.000 1.037 571 Y CB 0.813 39.322 38.460 0.083 0.000 1.305 571 Y HN 0.521 nan 8.280 nan 0.000 0.463 572 Y N 1.368 121.926 120.300 0.430 0.000 2.327 572 Y HA 0.535 5.085 4.550 -0.000 0.000 0.336 572 Y C 0.276 176.428 175.900 0.421 0.000 1.035 572 Y CA 0.034 58.420 58.100 0.477 0.000 1.165 572 Y CB 1.641 40.402 38.460 0.501 0.000 1.181 572 Y HN 0.719 nan 8.280 nan 0.000 0.494 573 S N 4.985 121.013 115.700 0.547 0.000 2.706 573 S HA 0.334 4.803 4.470 -0.000 0.000 0.270 573 S C -0.741 174.036 174.600 0.295 0.000 1.163 573 S CA -0.766 57.688 58.200 0.423 0.000 1.042 573 S CB 0.254 63.773 63.200 0.531 0.000 1.079 573 S HN 0.718 nan 8.310 nan 0.000 0.474 574 L N 3.975 125.281 121.223 0.138 0.000 2.803 574 L HA 0.405 4.745 4.340 -0.000 0.000 0.241 574 L C 1.282 178.210 176.870 0.097 0.000 1.404 574 L CA 0.087 54.917 54.840 -0.017 0.000 1.211 574 L CB -0.721 41.265 42.059 -0.121 0.000 1.585 574 L HN 0.727 nan 8.230 nan 0.000 0.430 575 A N -0.540 122.385 122.820 0.174 0.000 2.010 575 A HA 0.641 4.961 4.320 -0.000 0.000 0.193 575 A C 0.979 178.649 177.584 0.143 0.000 1.659 575 A CA 0.456 52.587 52.037 0.157 0.000 1.175 575 A CB 0.381 19.500 19.000 0.199 0.000 1.301 575 A HN 0.533 nan 8.150 nan 0.000 0.448 576 G N 0.227 109.131 108.800 0.173 0.000 2.707 576 G HA2 0.072 4.032 3.960 -0.000 0.000 0.686 576 G HA3 0.072 4.032 3.960 -0.000 0.000 0.686 576 G C -0.244 174.715 174.900 0.098 0.000 1.315 576 G CA -0.283 44.892 45.100 0.125 0.000 0.832 576 G HN 1.293 nan 8.290 nan 0.000 0.573 577 Q N 0.068 119.892 119.800 0.040 0.000 2.616 577 Q HA 0.335 4.675 4.340 -0.000 0.000 0.269 577 Q C 1.086 177.069 176.000 -0.028 0.000 1.148 577 Q CA 0.553 56.352 55.803 -0.006 0.000 1.003 577 Q CB 0.633 29.351 28.738 -0.034 0.000 1.322 577 Q HN 0.743 nan 8.270 nan 0.000 0.518 578 R N -0.510 119.925 120.500 -0.109 0.000 2.954 578 R HA 0.153 4.493 4.340 -0.000 0.000 0.276 578 R C 0.568 176.783 176.300 -0.142 0.000 1.218 578 R CA 0.874 56.835 56.100 -0.232 0.000 1.149 578 R CB 0.326 30.347 30.300 -0.464 0.000 1.112 578 R HN 0.899 nan 8.270 nan 0.000 0.577 579 T N -2.068 112.401 114.554 -0.143 0.000 3.191 579 T HA 0.012 4.362 4.350 -0.000 0.000 0.285 579 T C -0.215 174.452 174.700 -0.056 0.000 0.887 579 T CA -0.181 61.874 62.100 -0.074 0.000 0.881 579 T CB 0.285 69.128 68.868 -0.041 0.000 1.217 579 T HN 0.673 nan 8.240 nan 0.000 0.591 580 D N 0.586 120.941 120.400 -0.075 0.000 2.340 580 D HA 0.173 4.813 4.640 -0.000 0.000 0.217 580 D C 0.311 176.580 176.300 -0.051 0.000 1.081 580 D CA -0.577 53.438 54.000 0.025 0.000 0.842 580 D CB -1.121 39.839 40.800 0.267 0.000 0.934 580 D HN 0.270 nan 8.370 nan 0.000 0.511 581 C N 2.252 121.463 119.300 -0.148 0.000 2.378 581 C HA 0.027 4.486 4.460 -0.000 0.000 0.395 581 C C -1.125 173.836 174.990 -0.047 0.000 1.476 581 C CA -0.693 58.239 59.018 -0.144 0.000 1.541 581 C CB -0.294 27.378 27.740 -0.113 0.000 2.524 581 C HN 0.329 nan 8.230 nan 0.000 0.595 582 P HA 0.118 nan 4.420 nan 0.000 0.321 582 P C 1.063 178.378 177.300 0.025 0.000 1.338 582 P CA 0.676 63.796 63.100 0.032 0.000 0.764 582 P CB 0.248 31.988 31.700 0.066 0.000 1.641 583 T N -6.199 108.378 114.554 0.037 0.000 2.971 583 T HA 0.041 4.390 4.350 -0.000 0.000 0.252 583 T C 1.352 176.072 174.700 0.034 0.000 1.022 583 T CA 0.294 62.411 62.100 0.028 0.000 0.980 583 T CB -1.134 67.750 68.868 0.027 0.000 1.044 583 T HN 0.101 nan 8.240 nan 0.000 0.501 584 T N 1.963 116.547 114.554 0.050 0.000 3.072 584 T HA 0.209 4.559 4.350 -0.000 0.000 0.266 584 T C 0.452 175.192 174.700 0.068 0.000 1.127 584 T CA 0.393 62.527 62.100 0.058 0.000 1.107 584 T CB -0.061 68.856 68.868 0.081 0.000 0.910 584 T HN 0.226 nan 8.240 nan 0.000 0.513 585 V N 1.702 121.656 119.914 0.067 0.000 2.525 585 V HA 0.413 4.532 4.120 -0.000 0.000 0.299 585 V C -0.332 175.784 176.094 0.038 0.000 1.034 585 V CA -1.121 61.227 62.300 0.081 0.000 0.863 585 V CB 2.159 34.059 31.823 0.129 0.000 0.999 585 V HN 0.126 nan 8.190 nan 0.000 0.423 586 R N 2.803 123.326 120.500 0.039 0.000 2.368 586 R HA 0.709 5.048 4.340 -0.000 0.000 0.302 586 R C -1.077 175.224 176.300 0.002 0.000 1.002 586 R CA -0.580 55.529 56.100 0.015 0.000 0.929 586 R CB 2.142 32.453 30.300 0.018 0.000 1.073 586 R HN 0.483 nan 8.270 nan 0.000 0.464 587 V N 5.471 125.374 119.914 -0.020 0.000 2.313 587 V HA 0.199 4.318 4.120 -0.000 0.000 0.278 587 V C 0.181 176.251 176.094 -0.040 0.000 1.017 587 V CA -0.585 61.690 62.300 -0.042 0.000 0.823 587 V CB 1.236 33.025 31.823 -0.057 0.000 1.010 587 V HN 0.639 nan 8.190 nan 0.000 0.443 588 L N 5.517 126.713 121.223 -0.045 0.000 2.499 588 L HA 0.202 4.541 4.340 -0.000 0.000 0.273 588 L C 0.229 177.078 176.870 -0.034 0.000 1.195 588 L CA 0.507 55.327 54.840 -0.033 0.000 0.882 588 L CB 0.626 42.667 42.059 -0.030 0.000 1.133 588 L HN 0.604 nan 8.230 nan 0.000 0.483 589 K N 0.000 120.388 120.400 -0.019 0.000 2.780 589 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 589 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 589 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 589 K HN 0.000 nan 8.250 nan 0.000 0.543