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 3ogk_1_L 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 XXHPAHILAY YSLAGQRTDC PTTVRVLKEP I 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 0.000 174.604 174.600 0.007 0.000 1.055 12 S CA 0.000 58.204 58.200 0.007 0.000 1.107 12 S CB 0.000 63.203 63.200 0.005 0.000 0.593 13 C N 3.085 122.390 119.300 0.009 0.000 2.668 13 C HA 0.837 5.297 4.460 0.001 0.000 0.355 13 C C 0.403 175.399 174.990 0.010 0.000 1.277 13 C CA -0.339 58.685 59.018 0.010 0.000 1.787 13 C CB 1.197 28.944 27.740 0.011 0.000 2.233 13 C HN 1.081 nan 8.230 nan 0.000 0.495 14 V N 3.392 123.312 119.914 0.011 0.000 2.583 14 V HA 0.231 4.351 4.120 0.001 0.000 0.302 14 V C 1.003 177.106 176.094 0.015 0.000 1.033 14 V CA 0.674 62.982 62.300 0.012 0.000 1.194 14 V CB -0.998 30.833 31.823 0.013 0.000 0.879 14 V HN 1.042 nan 8.190 nan 0.000 0.482 15 A N 5.074 127.903 122.820 0.014 0.000 2.409 15 A HA 0.560 4.880 4.320 0.001 0.000 0.267 15 A C 0.700 178.298 177.584 0.024 0.000 1.127 15 A CA -0.257 51.790 52.037 0.016 0.000 0.795 15 A CB -0.031 18.975 19.000 0.010 0.000 1.061 15 A HN 0.915 nan 8.150 nan 0.000 0.502 16 T N 1.515 116.088 114.554 0.032 0.000 2.912 16 T HA 0.353 4.704 4.350 0.001 0.000 0.280 16 T C 1.688 176.424 174.700 0.059 0.000 0.989 16 T CA -0.269 61.860 62.100 0.048 0.000 0.995 16 T CB 1.158 70.061 68.868 0.059 0.000 1.077 16 T HN 0.429 nan 8.240 nan 0.000 0.531 17 V N 0.207 120.176 119.914 0.092 0.000 2.469 17 V HA -0.173 3.947 4.120 0.001 0.000 0.251 17 V C 2.197 178.358 176.094 0.112 0.000 1.064 17 V CA 2.026 64.399 62.300 0.121 0.000 1.066 17 V CB -0.968 30.995 31.823 0.235 0.000 0.667 17 V HN 0.927 nan 8.190 nan 0.000 0.461 18 D N 0.239 120.721 120.400 0.138 0.000 2.221 18 D HA -0.181 4.460 4.640 0.001 0.000 0.204 18 D C 1.622 177.952 176.300 0.050 0.000 0.982 18 D CA 1.058 55.131 54.000 0.121 0.000 0.857 18 D CB -0.114 40.762 40.800 0.128 0.000 0.934 18 D HN 0.433 nan 8.370 nan 0.000 0.475 19 D N -0.684 119.737 120.400 0.035 0.000 2.349 19 D HA -0.009 4.632 4.640 0.001 0.000 0.224 19 D C 0.893 177.188 176.300 -0.008 0.000 1.029 19 D CA 0.219 54.227 54.000 0.014 0.000 0.879 19 D CB 1.272 42.081 40.800 0.015 0.000 0.906 19 D HN 0.140 nan 8.370 nan 0.000 0.528 20 V N 0.223 120.124 119.914 -0.023 0.000 3.509 20 V HA 0.012 4.133 4.120 0.001 0.000 0.286 20 V C 1.204 177.237 176.094 -0.101 0.000 1.618 20 V CA -0.074 62.195 62.300 -0.051 0.000 1.088 20 V CB 0.878 32.675 31.823 -0.043 0.000 0.909 20 V HN -0.072 nan 8.190 nan 0.000 0.429 21 I N 0.831 121.317 120.570 -0.139 0.000 2.406 21 I HA -0.045 4.126 4.170 0.001 0.000 0.249 21 I C 2.026 177.982 176.117 -0.268 0.000 1.122 21 I CA 1.928 63.047 61.300 -0.302 0.000 1.431 21 I CB -0.145 37.534 38.000 -0.534 0.000 1.087 21 I HN 0.364 nan 8.210 nan 0.000 0.424 22 E N -0.147 119.953 120.200 -0.166 0.000 2.130 22 E HA -0.282 4.068 4.350 0.001 0.000 0.196 22 E C 2.079 178.637 176.600 -0.071 0.000 0.998 22 E CA 1.329 57.664 56.400 -0.108 0.000 0.806 22 E CB -0.095 29.570 29.700 -0.057 0.000 0.738 22 E HN 0.589 nan 8.360 nan 0.000 0.459 23 Q N -0.099 119.665 119.800 -0.061 0.000 2.062 23 Q HA -0.071 4.270 4.340 0.001 0.000 0.196 23 Q C 2.402 178.415 176.000 0.022 0.000 0.967 23 Q CA 0.832 56.631 55.803 -0.007 0.000 0.832 23 Q CB 0.136 28.856 28.738 -0.031 0.000 0.899 23 Q HN 0.207 nan 8.270 nan 0.000 0.442 24 V N 1.197 121.059 119.914 -0.086 0.000 2.427 24 V HA -0.253 3.868 4.120 0.001 0.000 0.248 24 V C 2.357 178.457 176.094 0.009 0.000 1.051 24 V CA 1.473 63.706 62.300 -0.111 0.000 1.048 24 V CB -0.481 31.236 31.823 -0.176 0.000 0.666 24 V HN 0.319 nan 8.190 nan 0.000 0.456 25 M N 1.574 121.126 119.600 -0.080 0.000 2.144 25 M HA -0.197 4.283 4.480 0.001 0.000 0.260 25 M C 2.157 178.472 176.300 0.025 0.000 1.067 25 M CA 2.575 57.828 55.300 -0.079 0.000 1.095 25 M CB -0.853 31.656 32.600 -0.152 0.000 1.365 25 M HN 0.530 nan 8.290 nan 0.000 0.406 26 T N -2.533 112.069 114.554 0.079 0.000 3.163 26 T HA -0.072 4.278 4.350 0.001 0.000 0.260 26 T C 0.769 175.459 174.700 -0.016 0.000 1.156 26 T CA 0.691 62.809 62.100 0.029 0.000 1.072 26 T CB -0.676 68.188 68.868 -0.005 0.000 0.937 26 T HN 0.494 nan 8.240 nan 0.000 0.528 27 Y N 0.374 120.647 120.300 -0.046 0.000 2.467 27 Y HA 0.512 5.062 4.550 0.001 0.000 0.250 27 Y C 0.698 176.583 175.900 -0.024 0.000 1.155 27 Y CA -1.734 56.347 58.100 -0.032 0.000 1.249 27 Y CB 0.224 38.667 38.460 -0.029 0.000 1.146 27 Y HN 0.273 nan 8.280 nan 0.000 0.524 28 I N 0.235 120.871 120.570 0.111 0.000 2.312 28 I HA 0.088 4.258 4.170 0.001 0.000 0.291 28 I C 1.195 177.328 176.117 0.026 0.000 1.031 28 I CA 0.190 61.528 61.300 0.064 0.000 1.293 28 I CB 1.451 39.485 38.000 0.056 0.000 1.403 28 I HN -0.013 nan 8.210 nan 0.000 0.484 29 T N 2.531 117.095 114.554 0.016 0.000 3.038 29 T HA 0.000 4.351 4.350 0.001 0.000 0.244 29 T C 0.642 175.336 174.700 -0.009 0.000 1.016 29 T CA 0.025 62.118 62.100 -0.013 0.000 1.098 29 T CB 0.062 68.914 68.868 -0.027 0.000 0.954 29 T HN 0.576 nan 8.240 nan 0.000 0.469 30 D N 2.216 122.621 120.400 0.008 0.000 2.434 30 D HA 0.123 4.764 4.640 0.001 0.000 0.252 30 D C -1.657 174.655 176.300 0.020 0.000 1.185 30 D CA -1.912 52.094 54.000 0.011 0.000 0.886 30 D CB 1.613 42.427 40.800 0.024 0.000 1.148 30 D HN 0.123 nan 8.370 nan 0.000 0.483 31 P HA -0.165 nan 4.420 nan 0.000 0.218 31 P C 0.930 178.261 177.300 0.051 0.000 1.146 31 P CA 1.158 64.273 63.100 0.026 0.000 0.813 31 P CB 0.304 32.017 31.700 0.022 0.000 0.778 32 K N -0.815 119.616 120.400 0.051 0.000 2.305 32 K HA -0.026 4.294 4.320 0.001 0.000 0.199 32 K C 1.408 178.052 176.600 0.073 0.000 1.047 32 K CA 1.008 57.333 56.287 0.064 0.000 0.976 32 K CB -0.549 31.985 32.500 0.057 0.000 0.765 32 K HN 0.005 nan 8.250 nan 0.000 0.474 33 D N -0.493 119.949 120.400 0.070 0.000 2.271 33 D HA -0.011 4.630 4.640 0.001 0.000 0.206 33 D C 1.694 178.058 176.300 0.107 0.000 0.967 33 D CA 0.320 54.371 54.000 0.086 0.000 0.867 33 D CB 0.276 41.122 40.800 0.076 0.000 0.960 33 D HN -0.031 nan 8.370 nan 0.000 0.509 34 R N 0.972 121.527 120.500 0.092 0.000 2.073 34 R HA -0.097 4.244 4.340 0.001 0.000 0.234 34 R C 1.709 178.095 176.300 0.142 0.000 1.134 34 R CA 0.869 57.032 56.100 0.106 0.000 0.952 34 R CB -0.869 29.473 30.300 0.070 0.000 0.850 34 R HN 0.226 nan 8.270 nan 0.000 0.433 35 D N 0.143 120.620 120.400 0.130 0.000 2.160 35 D HA -0.162 4.479 4.640 0.001 0.000 0.189 35 D C 1.783 178.169 176.300 0.145 0.000 1.003 35 D CA 2.472 56.556 54.000 0.141 0.000 0.846 35 D CB 0.036 40.904 40.800 0.114 0.000 0.949 35 D HN 0.093 nan 8.370 nan 0.000 0.446 36 S N -0.210 115.566 115.700 0.127 0.000 2.348 36 S HA -0.179 4.292 4.470 0.001 0.000 0.221 36 S C 2.147 176.846 174.600 0.166 0.000 1.033 36 S CA 1.143 59.416 58.200 0.121 0.000 1.010 36 S CB -0.668 62.592 63.200 0.100 0.000 0.891 36 S HN 0.443 nan 8.310 nan 0.000 0.442 37 A N 2.119 125.075 122.820 0.226 0.000 1.917 37 A HA -0.178 4.143 4.320 0.001 0.000 0.219 37 A C 2.346 180.160 177.584 0.383 0.000 1.182 37 A CA 2.237 54.503 52.037 0.382 0.000 0.633 37 A CB -1.153 18.067 19.000 0.367 0.000 0.819 37 A HN 0.664 nan 8.150 nan 0.000 0.448 38 S N -0.946 114.927 115.700 0.288 0.000 2.500 38 S HA 0.059 4.530 4.470 0.001 0.000 0.239 38 S C 1.322 176.124 174.600 0.337 0.000 0.989 38 S CA 1.262 59.652 58.200 0.316 0.000 0.951 38 S CB -0.366 63.000 63.200 0.277 0.000 0.759 38 S HN 0.440 nan 8.310 nan 0.000 0.523 39 L N 1.328 122.680 121.223 0.215 0.000 2.693 39 L HA 0.302 4.643 4.340 0.001 0.000 0.235 39 L C 2.062 178.948 176.870 0.025 0.000 1.127 39 L CA 0.157 55.069 54.840 0.120 0.000 0.914 39 L CB 0.666 42.774 42.059 0.083 0.000 1.193 39 L HN 0.389 nan 8.230 nan 0.000 0.502 40 V N -2.006 117.894 119.914 -0.022 0.000 2.951 40 V HA 0.050 4.171 4.120 0.001 0.000 0.255 40 V C 0.619 176.566 176.094 -0.244 0.000 1.088 40 V CA 0.610 62.766 62.300 -0.240 0.000 1.109 40 V CB -0.253 31.196 31.823 -0.623 0.000 0.724 40 V HN 0.555 nan 8.190 nan 0.000 0.471 41 C N -2.346 116.893 119.300 -0.102 0.000 2.951 41 C HA 0.376 4.837 4.460 0.001 0.000 0.331 41 C C 1.135 176.190 174.990 0.108 0.000 1.256 41 C CA -0.405 58.585 59.018 -0.047 0.000 1.176 41 C CB 0.788 28.449 27.740 -0.131 0.000 1.349 41 C HN 0.429 nan 8.230 nan 0.000 0.473 42 R N 0.331 120.881 120.500 0.084 0.000 2.117 42 R HA -0.147 4.193 4.340 0.001 0.000 0.243 42 R C 2.439 178.895 176.300 0.261 0.000 1.143 42 R CA 2.227 58.407 56.100 0.134 0.000 0.968 42 R CB -0.231 30.108 30.300 0.064 0.000 0.863 42 R HN 0.741 nan 8.270 nan 0.000 0.444 43 R N -0.311 120.344 120.500 0.258 0.000 2.073 43 R HA -0.132 4.208 4.340 0.001 0.000 0.229 43 R C 1.796 178.320 176.300 0.373 0.000 1.120 43 R CA 1.336 57.611 56.100 0.293 0.000 0.967 43 R CB -0.097 30.375 30.300 0.286 0.000 0.862 43 R HN 0.223 nan 8.270 nan 0.000 0.436 44 W N 0.152 121.517 121.300 0.109 0.000 2.363 44 W HA -0.161 4.500 4.660 0.001 0.000 0.296 44 W C 1.969 178.560 176.519 0.119 0.000 1.212 44 W CA 0.556 57.959 57.345 0.097 0.000 1.260 44 W CB -1.040 28.474 29.460 0.091 0.000 1.131 44 W HN 0.083 nan 8.180 nan 0.000 0.530 45 F N 1.675 121.785 119.950 0.266 0.000 2.091 45 F HA -0.277 4.251 4.527 0.001 0.000 0.299 45 F C 2.345 178.213 175.800 0.114 0.000 1.103 45 F CA 2.481 60.574 58.000 0.154 0.000 1.228 45 F CB -0.523 38.532 39.000 0.093 0.000 0.984 45 F HN -0.195 nan 8.300 nan 0.000 0.477 46 K N 0.256 120.746 120.400 0.149 0.000 2.097 46 K HA -0.091 4.230 4.320 0.001 0.000 0.205 46 K C 2.122 178.688 176.600 -0.056 0.000 1.050 46 K CA 1.620 57.910 56.287 0.004 0.000 0.938 46 K CB -0.235 32.349 32.500 0.141 0.000 0.718 46 K HN 0.373 nan 8.250 nan 0.000 0.442 47 I N 0.859 121.425 120.570 -0.006 0.000 2.252 47 I HA -0.263 3.908 4.170 0.001 0.000 0.245 47 I C 2.096 178.185 176.117 -0.047 0.000 1.102 47 I CA 1.527 62.804 61.300 -0.038 0.000 1.385 47 I CB -0.314 37.638 38.000 -0.080 0.000 1.064 47 I HN 0.287 nan 8.210 nan 0.000 0.414 48 D N 0.290 120.665 120.400 -0.042 0.000 2.117 48 D HA -0.239 4.402 4.640 0.001 0.000 0.197 48 D C 2.266 178.574 176.300 0.013 0.000 0.987 48 D CA 1.695 55.693 54.000 -0.003 0.000 0.829 48 D CB -0.028 40.798 40.800 0.043 0.000 0.961 48 D HN 0.163 nan 8.370 nan 0.000 0.460 49 S N -0.569 115.036 115.700 -0.160 0.000 2.374 49 S HA -0.233 4.238 4.470 0.001 0.000 0.227 49 S C 1.782 176.400 174.600 0.031 0.000 1.037 49 S CA 1.585 59.684 58.200 -0.168 0.000 1.024 49 S CB -0.460 62.444 63.200 -0.493 0.000 0.861 49 S HN 0.405 nan 8.310 nan 0.000 0.456 50 E N -0.366 119.828 120.200 -0.011 0.000 2.478 50 E HA 0.038 4.389 4.350 0.001 0.000 0.194 50 E C 1.548 178.162 176.600 0.023 0.000 1.045 50 E CA 0.997 57.407 56.400 0.016 0.000 0.868 50 E CB 0.264 29.964 29.700 -0.001 0.000 0.885 50 E HN 0.845 nan 8.360 nan 0.000 0.505 51 T N -2.458 112.108 114.554 0.021 0.000 3.003 51 T HA 0.178 4.529 4.350 0.001 0.000 0.261 51 T C 0.819 175.511 174.700 -0.013 0.000 1.003 51 T CA -0.543 61.557 62.100 0.000 0.000 0.917 51 T CB 0.199 69.058 68.868 -0.016 0.000 1.084 51 T HN -0.189 nan 8.240 nan 0.000 0.522 52 R N 2.246 122.746 120.500 -0.002 0.000 2.502 52 R HA 0.142 4.483 4.340 0.001 0.000 0.292 52 R C 0.993 177.214 176.300 -0.132 0.000 0.998 52 R CA 0.512 56.543 56.100 -0.116 0.000 1.056 52 R CB 0.093 30.193 30.300 -0.333 0.000 0.939 52 R HN 0.430 nan 8.270 nan 0.000 0.411 53 E N 1.470 121.602 120.200 -0.113 0.000 2.201 53 E HA -0.026 4.324 4.350 0.001 0.000 0.193 53 E C -0.061 176.500 176.600 -0.064 0.000 0.957 53 E CA 0.364 56.721 56.400 -0.071 0.000 0.858 53 E CB 0.155 29.831 29.700 -0.040 0.000 0.816 53 E HN 0.509 nan 8.360 nan 0.000 0.475 54 H N 0.293 119.251 119.070 -0.187 0.000 2.600 54 H HA 0.448 5.004 4.556 0.001 0.000 0.357 54 H C -1.516 173.664 175.328 -0.246 0.000 1.106 54 H CA -0.514 55.427 56.048 -0.178 0.000 1.193 54 H CB 1.430 31.117 29.762 -0.126 0.000 1.594 54 H HN -0.187 nan 8.280 nan 0.000 0.526 55 V N 4.209 123.689 119.914 -0.723 0.000 2.709 55 V HA 0.280 4.401 4.120 0.001 0.000 0.308 55 V C -0.190 175.602 176.094 -0.503 0.000 1.062 55 V CA -0.650 61.380 62.300 -0.451 0.000 0.901 55 V CB 2.210 33.824 31.823 -0.349 0.000 1.003 55 V HN 0.875 nan 8.190 nan 0.000 0.425 56 T N 5.797 120.256 114.554 -0.158 0.000 2.823 56 T HA 0.601 4.951 4.350 0.001 0.000 0.279 56 T C -0.390 174.262 174.700 -0.080 0.000 0.998 56 T CA -0.359 61.683 62.100 -0.097 0.000 0.994 56 T CB 1.173 70.070 68.868 0.047 0.000 0.960 56 T HN 0.478 nan 8.240 nan 0.000 0.448 57 M N 2.665 122.188 119.600 -0.130 0.000 2.072 57 M HA 0.392 4.872 4.480 0.001 0.000 0.331 57 M C 1.048 177.290 176.300 -0.097 0.000 1.004 57 M CA -0.798 54.444 55.300 -0.098 0.000 0.952 57 M CB 1.561 34.051 32.600 -0.183 0.000 1.511 57 M HN 0.813 nan 8.290 nan 0.000 0.422 58 A N 4.387 127.186 122.820 -0.035 0.000 2.172 58 A HA 0.144 4.465 4.320 0.001 0.000 0.216 58 A C 0.663 178.231 177.584 -0.025 0.000 1.154 58 A CA 0.920 52.928 52.037 -0.049 0.000 0.701 58 A CB 0.220 19.204 19.000 -0.027 0.000 0.789 58 A HN 0.728 nan 8.150 nan 0.000 0.465 59 L N -0.132 121.096 121.223 0.009 0.000 2.661 59 L HA 0.147 4.487 4.340 0.001 0.000 0.263 59 L C 0.941 177.808 176.870 -0.005 0.000 0.956 59 L CA -0.677 54.186 54.840 0.039 0.000 0.918 59 L CB 1.364 43.502 42.059 0.131 0.000 1.280 59 L HN 0.435 nan 8.230 nan 0.000 0.416 60 C N 1.737 120.960 119.300 -0.128 0.000 2.410 60 C HA -0.140 4.321 4.460 0.001 0.000 0.281 60 C C 1.730 176.732 174.990 0.020 0.000 1.318 60 C CA 0.442 59.333 59.018 -0.212 0.000 1.776 60 C CB -1.441 26.057 27.740 -0.403 0.000 1.942 60 C HN 0.776 nan 8.230 nan 0.000 0.508 61 Y N 0.766 121.162 120.300 0.159 0.000 2.502 61 Y HA 0.067 4.618 4.550 0.001 0.000 0.295 61 Y C 2.742 178.797 175.900 0.257 0.000 1.193 61 Y CA 0.755 58.968 58.100 0.187 0.000 1.295 61 Y CB -0.308 38.193 38.460 0.068 0.000 1.059 61 Y HN 0.320 nan 8.280 nan 0.000 0.514 62 T N -0.290 114.476 114.554 0.352 0.000 3.014 62 T HA 0.319 4.669 4.350 0.001 0.000 0.263 62 T C 0.492 175.393 174.700 0.334 0.000 1.078 62 T CA 0.758 63.074 62.100 0.361 0.000 1.135 62 T CB -0.096 68.943 68.868 0.286 0.000 0.895 62 T HN 0.277 nan 8.240 nan 0.000 0.480 63 A N 0.344 123.371 122.820 0.345 0.000 2.606 63 A HA 0.608 4.928 4.320 0.001 0.000 0.293 63 A C -0.044 177.729 177.584 0.315 0.000 1.082 63 A CA -0.736 51.483 52.037 0.303 0.000 0.685 63 A CB 0.856 20.019 19.000 0.271 0.000 1.284 63 A HN 0.265 nan 8.150 nan 0.000 0.408 64 T N -0.507 114.145 114.554 0.163 0.000 2.868 64 T HA 0.457 4.808 4.350 0.001 0.000 0.292 64 T C -1.981 172.624 174.700 -0.158 0.000 1.028 64 T CA -1.030 61.055 62.100 -0.025 0.000 1.059 64 T CB 0.719 69.564 68.868 -0.038 0.000 0.991 64 T HN 0.238 nan 8.240 nan 0.000 0.531 65 P HA -0.047 nan 4.420 nan 0.000 0.218 65 P C 1.171 178.375 177.300 -0.160 0.000 1.149 65 P CA 0.899 63.603 63.100 -0.659 0.000 0.817 65 P CB -0.020 31.097 31.700 -0.971 0.000 0.785 66 D N -0.358 119.957 120.400 -0.142 0.000 2.133 66 D HA -0.224 4.417 4.640 0.001 0.000 0.195 66 D C 2.111 178.418 176.300 0.011 0.000 0.997 66 D CA 1.276 55.249 54.000 -0.046 0.000 0.840 66 D CB -0.309 40.466 40.800 -0.042 0.000 0.947 66 D HN -0.066 nan 8.370 nan 0.000 0.452 67 R N -0.630 119.890 120.500 0.033 0.000 2.073 67 R HA -0.129 4.212 4.340 0.001 0.000 0.234 67 R C 2.387 178.738 176.300 0.085 0.000 1.134 67 R CA 1.207 57.345 56.100 0.063 0.000 0.952 67 R CB -0.545 29.809 30.300 0.090 0.000 0.850 67 R HN 0.293 nan 8.270 nan 0.000 0.433 68 L N 0.899 122.222 121.223 0.167 0.000 1.990 68 L HA -0.216 4.125 4.340 0.001 0.000 0.213 68 L C 2.268 179.246 176.870 0.181 0.000 1.072 68 L CA 2.639 57.624 54.840 0.241 0.000 0.755 68 L CB -0.753 41.557 42.059 0.418 0.000 0.889 68 L HN 0.376 nan 8.230 nan 0.000 0.432 69 S N -0.901 114.885 115.700 0.143 0.000 2.489 69 S HA -0.162 4.308 4.470 0.001 0.000 0.228 69 S C 2.114 176.751 174.600 0.061 0.000 0.995 69 S CA 0.641 58.909 58.200 0.113 0.000 0.934 69 S CB -0.622 62.633 63.200 0.090 0.000 0.771 69 S HN 0.660 nan 8.310 nan 0.000 0.522 70 R N 1.204 121.723 120.500 0.033 0.000 2.075 70 R HA 0.109 4.449 4.340 0.001 0.000 0.226 70 R C 2.473 178.747 176.300 -0.043 0.000 1.114 70 R CA 1.063 57.169 56.100 0.009 0.000 0.972 70 R CB -0.304 30.006 30.300 0.017 0.000 0.869 70 R HN 0.370 nan 8.270 nan 0.000 0.437 71 R N -0.105 120.317 120.500 -0.130 0.000 2.092 71 R HA -0.002 4.338 4.340 0.001 0.000 0.231 71 R C -0.093 175.849 176.300 -0.596 0.000 1.119 71 R CA 1.442 57.288 56.100 -0.423 0.000 0.970 71 R CB 0.061 29.968 30.300 -0.656 0.000 0.864 71 R HN 0.292 nan 8.270 nan 0.000 0.440 72 F N -0.225 119.729 119.950 0.007 0.000 2.584 72 F HA 0.365 4.892 4.527 0.001 0.000 0.328 72 F C -1.785 174.015 175.800 -0.000 0.000 1.407 72 F CA -2.196 55.796 58.000 -0.014 0.000 1.145 72 F CB 1.955 40.950 39.000 -0.009 0.000 1.440 72 F HN -0.003 nan 8.300 nan 0.000 0.580 73 P HA -0.110 nan 4.420 nan 0.000 0.222 73 P C -0.084 177.265 177.300 0.081 0.000 1.147 73 P CA 1.423 64.578 63.100 0.091 0.000 0.790 73 P CB 0.111 31.843 31.700 0.054 0.000 0.780 74 N N -0.864 117.887 118.700 0.085 0.000 2.389 74 N HA 0.175 4.915 4.740 0.001 0.000 0.260 74 N C -0.224 175.304 175.510 0.029 0.000 1.191 74 N CA -0.350 52.728 53.050 0.048 0.000 0.885 74 N CB -0.029 38.478 38.487 0.033 0.000 1.162 74 N HN 0.062 nan 8.380 nan 0.000 0.512 75 L N 1.062 122.306 121.223 0.034 0.000 2.559 75 L HA 0.020 4.361 4.340 0.001 0.000 0.282 75 L C 1.415 178.272 176.870 -0.022 0.000 1.232 75 L CA 0.301 55.128 54.840 -0.022 0.000 0.885 75 L CB 0.597 42.643 42.059 -0.022 0.000 1.131 75 L HN 0.301 nan 8.230 nan 0.000 0.498 76 R N 0.908 121.385 120.500 -0.038 0.000 2.254 76 R HA 0.160 4.501 4.340 0.001 0.000 0.193 76 R C 0.222 176.502 176.300 -0.033 0.000 0.929 76 R CA 0.217 56.301 56.100 -0.026 0.000 1.038 76 R CB 0.499 30.787 30.300 -0.020 0.000 1.009 76 R HN 0.540 nan 8.270 nan 0.000 0.512 77 S N 0.664 116.329 115.700 -0.059 0.000 2.619 77 S HA 0.536 5.007 4.470 0.001 0.000 0.280 77 S C -1.709 172.740 174.600 -0.252 0.000 1.150 77 S CA -0.688 57.474 58.200 -0.063 0.000 0.978 77 S CB 0.850 64.114 63.200 0.106 0.000 1.041 77 S HN 0.072 nan 8.310 nan 0.000 0.485 78 L N 4.245 125.332 121.223 -0.228 0.000 2.370 78 L HA 0.777 5.118 4.340 0.001 0.000 0.266 78 L C -1.022 175.696 176.870 -0.253 0.000 1.002 78 L CA -0.241 54.422 54.840 -0.297 0.000 0.818 78 L CB 1.803 43.765 42.059 -0.161 0.000 1.325 78 L HN 0.724 nan 8.230 nan 0.000 0.418 79 K N 5.340 125.571 120.400 -0.283 0.000 2.637 79 K HA 0.572 4.892 4.320 0.001 0.000 0.248 79 K C -2.171 174.287 176.600 -0.237 0.000 0.971 79 K CA -0.476 55.684 56.287 -0.213 0.000 0.858 79 K CB 0.983 33.385 32.500 -0.163 0.000 1.170 79 K HN 0.698 nan 8.250 nan 0.000 0.443 80 L N 3.728 124.834 121.223 -0.195 0.000 2.329 80 L HA 0.549 4.890 4.340 0.001 0.000 0.279 80 L C -0.499 176.265 176.870 -0.176 0.000 1.014 80 L CA -1.039 53.651 54.840 -0.251 0.000 0.814 80 L CB 1.862 43.693 42.059 -0.380 0.000 1.257 80 L HN 0.473 nan 8.230 nan 0.000 0.424 81 K N 0.716 121.005 120.400 -0.185 0.000 2.156 81 K HA 0.639 4.959 4.320 0.001 0.000 0.254 81 K C 0.368 176.905 176.600 -0.105 0.000 0.950 81 K CA -0.391 55.817 56.287 -0.133 0.000 0.849 81 K CB 2.301 34.718 32.500 -0.138 0.000 1.100 81 K HN 0.701 nan 8.250 nan 0.000 0.434 82 G N 1.669 110.439 108.800 -0.051 0.000 2.508 82 G HA2 0.091 4.051 3.960 0.001 0.000 0.217 82 G HA3 0.091 4.051 3.960 0.001 0.000 0.217 82 G C -0.504 174.480 174.900 0.140 0.000 2.004 82 G CA -0.277 44.851 45.100 0.047 0.000 0.750 82 G HN 0.398 nan 8.290 nan 0.000 0.730 83 K N 1.799 122.242 120.400 0.072 0.000 2.485 83 K HA 0.176 4.496 4.320 0.001 0.000 0.277 83 K C -2.294 174.107 176.600 -0.332 0.000 0.990 83 K CA -0.958 55.171 56.287 -0.264 0.000 0.994 83 K CB 0.567 32.953 32.500 -0.191 0.000 0.906 83 K HN 0.096 nan 8.250 nan 0.000 0.488 84 P HA -0.042 nan 4.420 nan 0.000 0.266 84 P C 0.240 177.324 177.300 -0.360 0.000 1.193 84 P CA 0.122 63.020 63.100 -0.338 0.000 0.770 84 P CB 0.516 31.928 31.700 -0.481 0.000 0.836 85 R N 2.469 122.796 120.500 -0.290 0.000 2.154 85 R HA -0.241 4.099 4.340 0.001 0.000 0.248 85 R C 1.904 178.097 176.300 -0.179 0.000 1.155 85 R CA 1.937 57.911 56.100 -0.209 0.000 0.979 85 R CB -0.785 29.429 30.300 -0.142 0.000 0.869 85 R HN 0.571 nan 8.270 nan 0.000 0.452 86 A N 0.206 122.756 122.820 -0.449 0.000 2.125 86 A HA -0.079 4.241 4.320 0.001 0.000 0.219 86 A C 2.147 179.598 177.584 -0.222 0.000 1.156 86 A CA 1.437 53.209 52.037 -0.442 0.000 0.671 86 A CB -0.396 17.842 19.000 -1.270 0.000 0.794 86 A HN 0.460 nan 8.150 nan 0.000 0.459 87 A N -0.433 122.215 122.820 -0.287 0.000 2.067 87 A HA -0.016 4.305 4.320 0.001 0.000 0.219 87 A C 1.982 179.456 177.584 -0.183 0.000 1.158 87 A CA 1.330 53.236 52.037 -0.218 0.000 0.661 87 A CB -0.528 18.331 19.000 -0.236 0.000 0.801 87 A HN 0.546 nan 8.150 nan 0.000 0.452 88 M N -1.584 117.873 119.600 -0.238 0.000 2.686 88 M HA 0.083 4.564 4.480 0.001 0.000 0.246 88 M C -0.169 175.707 176.300 -0.707 0.000 1.096 88 M CA 0.841 55.861 55.300 -0.467 0.000 1.076 88 M CB -0.100 32.144 32.600 -0.594 0.000 1.504 88 M HN 0.432 nan 8.290 nan 0.000 0.524 89 F N -0.168 119.708 119.950 -0.124 0.000 2.814 89 F HA 0.321 4.849 4.527 0.001 0.000 0.326 89 F C 0.339 176.088 175.800 -0.086 0.000 1.159 89 F CA -0.786 57.160 58.000 -0.090 0.000 1.234 89 F CB -0.155 38.795 39.000 -0.083 0.000 1.016 89 F HN 0.101 nan 8.300 nan 0.000 0.510 90 N N 1.679 120.379 118.700 0.000 0.000 2.708 90 N HA -0.210 4.531 4.740 0.001 0.000 0.251 90 N C 0.606 176.092 175.510 -0.040 0.000 1.017 90 N CA 0.713 53.758 53.050 -0.008 0.000 0.742 90 N CB -1.041 37.459 38.487 0.022 0.000 0.943 90 N HN 0.459 nan 8.380 nan 0.000 0.539 91 L N -1.109 120.078 121.223 -0.060 0.000 2.609 91 L HA 0.261 4.602 4.340 0.001 0.000 0.230 91 L C 0.610 177.510 176.870 0.051 0.000 1.087 91 L CA 0.329 55.114 54.840 -0.091 0.000 0.874 91 L CB 0.288 42.306 42.059 -0.068 0.000 1.114 91 L HN 0.087 nan 8.230 nan 0.000 0.488 92 I N 1.161 121.716 120.570 -0.024 0.000 2.377 92 I HA 0.358 4.528 4.170 0.001 0.000 0.293 92 I C -2.041 174.120 176.117 0.073 0.000 0.987 92 I CA -2.434 58.866 61.300 0.000 0.000 1.185 92 I CB 1.129 38.998 38.000 -0.219 0.000 1.341 92 I HN -0.230 nan 8.210 nan 0.000 0.455 93 P HA 0.016 nan 4.420 nan 0.000 0.267 93 P C 0.737 178.135 177.300 0.162 0.000 1.200 93 P CA 0.062 63.268 63.100 0.176 0.000 0.772 93 P CB 0.962 32.798 31.700 0.228 0.000 0.855 94 E N 2.972 123.242 120.200 0.117 0.000 2.110 94 E HA -0.214 4.137 4.350 0.001 0.000 0.193 94 E C 1.115 177.783 176.600 0.112 0.000 0.988 94 E CA 1.660 58.112 56.400 0.087 0.000 0.804 94 E CB -0.554 29.179 29.700 0.055 0.000 0.745 94 E HN 0.441 nan 8.360 nan 0.000 0.458 95 N N -0.366 118.418 118.700 0.140 0.000 2.434 95 N HA -0.085 4.656 4.740 0.001 0.000 0.196 95 N C 1.202 176.812 175.510 0.166 0.000 1.183 95 N CA 0.329 53.465 53.050 0.144 0.000 0.849 95 N CB -1.123 37.454 38.487 0.150 0.000 0.992 95 N HN 0.356 nan 8.380 nan 0.000 0.460 96 W N 1.581 122.891 121.300 0.018 0.000 2.321 96 W HA 0.046 4.706 4.660 0.001 0.000 0.306 96 W C 0.668 177.207 176.519 0.034 0.000 1.217 96 W CA 2.200 59.570 57.345 0.042 0.000 1.257 96 W CB -0.069 29.423 29.460 0.054 0.000 1.145 96 W HN 0.269 nan 8.180 nan 0.000 0.509 97 G N -3.240 105.567 108.800 0.012 0.000 2.345 97 G HA2 0.384 4.344 3.960 0.001 0.000 0.285 97 G HA3 0.384 4.344 3.960 0.001 0.000 0.285 97 G C 0.231 175.089 174.900 -0.070 0.000 1.297 97 G CA -0.048 44.879 45.100 -0.288 0.000 0.875 97 G HN 1.006 nan 8.290 nan 0.000 0.506 98 G N -1.637 107.177 108.800 0.024 0.000 2.140 98 G HA2 -0.085 3.875 3.960 0.001 0.000 0.211 98 G HA3 -0.085 3.875 3.960 0.001 0.000 0.211 98 G C 0.189 175.001 174.900 -0.146 0.000 1.013 98 G CA 0.415 45.494 45.100 -0.034 0.000 0.705 98 G HN 1.377 nan 8.290 nan 0.000 0.508 99 Y N -0.727 119.611 120.300 0.062 0.000 2.544 99 Y HA 0.280 4.830 4.550 0.001 0.000 0.330 99 Y C 1.641 177.546 175.900 0.009 0.000 1.136 99 Y CA 0.531 58.649 58.100 0.030 0.000 1.417 99 Y CB 1.443 39.935 38.460 0.053 0.000 1.229 99 Y HN -0.000 nan 8.280 nan 0.000 0.532 100 V N 3.031 122.973 119.914 0.047 0.000 3.306 100 V HA -0.161 3.960 4.120 0.001 0.000 0.264 100 V C 1.987 178.110 176.094 0.049 0.000 1.149 100 V CA 1.870 64.094 62.300 -0.127 0.000 1.143 100 V CB -0.298 31.137 31.823 -0.648 0.000 0.767 100 V HN 1.063 nan 8.190 nan 0.000 0.476 101 T N 0.047 114.649 114.554 0.080 0.000 2.777 101 T HA -0.042 4.308 4.350 0.001 0.000 0.266 101 T C 0.017 174.724 174.700 0.013 0.000 1.040 101 T CA 1.501 63.625 62.100 0.041 0.000 1.141 101 T CB -1.020 67.862 68.868 0.023 0.000 0.868 101 T HN 0.439 nan 8.240 nan 0.000 0.444 102 P HA 0.008 nan 4.420 nan 0.000 0.218 102 P C 0.674 177.822 177.300 -0.255 0.000 1.149 102 P CA 1.023 64.003 63.100 -0.200 0.000 0.817 102 P CB -0.335 31.157 31.700 -0.346 0.000 0.785 103 W N -0.189 121.106 121.300 -0.008 0.000 2.381 103 W HA -0.089 4.571 4.660 0.001 0.000 0.301 103 W C 2.356 178.908 176.519 0.055 0.000 1.205 103 W CA 0.971 58.330 57.345 0.025 0.000 1.285 103 W CB -1.393 28.083 29.460 0.027 0.000 1.133 103 W HN -0.177 nan 8.180 nan 0.000 0.521 104 V N -0.476 119.583 119.914 0.242 0.000 2.548 104 V HA -0.202 3.919 4.120 0.001 0.000 0.249 104 V C 2.127 178.278 176.094 0.095 0.000 1.055 104 V CA 2.524 64.934 62.300 0.183 0.000 1.065 104 V CB -1.120 30.797 31.823 0.158 0.000 0.681 104 V HN 0.277 nan 8.190 nan 0.000 0.462 105 T N -0.790 113.789 114.554 0.041 0.000 2.821 105 T HA -0.218 4.133 4.350 0.001 0.000 0.267 105 T C 1.842 176.547 174.700 0.008 0.000 1.046 105 T CA 1.931 64.036 62.100 0.008 0.000 1.139 105 T CB -0.432 68.422 68.868 -0.023 0.000 0.871 105 T HN 0.617 nan 8.240 nan 0.000 0.454 106 E N 0.797 120.997 120.200 0.001 0.000 2.106 106 E HA 0.008 4.359 4.350 0.001 0.000 0.192 106 E C 2.010 178.648 176.600 0.063 0.000 0.984 106 E CA 1.119 57.524 56.400 0.008 0.000 0.806 106 E CB -0.618 29.068 29.700 -0.023 0.000 0.750 106 E HN 0.713 nan 8.360 nan 0.000 0.458 107 I N -0.120 120.517 120.570 0.111 0.000 2.163 107 I HA -0.307 3.863 4.170 0.001 0.000 0.243 107 I C 2.394 178.549 176.117 0.063 0.000 1.085 107 I CA 1.122 62.486 61.300 0.106 0.000 1.347 107 I CB -0.377 37.705 38.000 0.137 0.000 1.044 107 I HN 0.072 nan 8.210 nan 0.000 0.408 108 S N 0.759 116.489 115.700 0.050 0.000 2.368 108 S HA -0.269 4.201 4.470 0.001 0.000 0.226 108 S C 1.648 176.260 174.600 0.020 0.000 1.044 108 S CA 2.374 60.590 58.200 0.027 0.000 1.062 108 S CB -0.597 62.613 63.200 0.016 0.000 0.931 108 S HN 0.540 nan 8.310 nan 0.000 0.440 109 N N 0.233 118.944 118.700 0.019 0.000 2.368 109 N HA 0.101 4.841 4.740 0.001 0.000 0.176 109 N C 0.847 176.369 175.510 0.020 0.000 1.021 109 N CA 0.761 53.819 53.050 0.013 0.000 0.888 109 N CB 0.115 38.605 38.487 0.005 0.000 0.995 109 N HN 0.281 nan 8.380 nan 0.000 0.437 110 N N -0.257 118.461 118.700 0.030 0.000 2.129 110 N HA 0.174 4.914 4.740 0.001 0.000 0.222 110 N C -0.494 175.046 175.510 0.049 0.000 1.303 110 N CA 0.151 53.223 53.050 0.036 0.000 0.897 110 N CB 1.269 39.776 38.487 0.033 0.000 1.093 110 N HN 0.076 nan 8.380 nan 0.000 0.501 111 L N 1.326 122.583 121.223 0.057 0.000 2.959 111 L HA 0.380 4.720 4.340 0.001 0.000 0.236 111 L C 0.972 177.866 176.870 0.041 0.000 1.296 111 L CA -0.194 54.682 54.840 0.060 0.000 1.047 111 L CB 0.508 42.615 42.059 0.080 0.000 1.395 111 L HN -0.294 nan 8.230 nan 0.000 0.492 112 R N -0.043 120.477 120.500 0.032 0.000 2.369 112 R HA -0.106 4.235 4.340 0.001 0.000 0.200 112 R C 1.548 177.858 176.300 0.017 0.000 1.046 112 R CA 0.618 56.731 56.100 0.022 0.000 1.057 112 R CB -0.165 30.146 30.300 0.019 0.000 0.888 112 R HN 0.384 nan 8.270 nan 0.000 0.474 113 Q N -0.928 118.883 119.800 0.018 0.000 2.217 113 Q HA 0.192 4.533 4.340 0.001 0.000 0.217 113 Q C -0.706 175.296 176.000 0.003 0.000 0.844 113 Q CA -0.189 55.619 55.803 0.009 0.000 0.957 113 Q CB 0.569 29.313 28.738 0.010 0.000 1.127 113 Q HN 0.101 nan 8.270 nan 0.000 0.503 114 L N 1.833 123.059 121.223 0.005 0.000 2.513 114 L HA 0.038 4.378 4.340 0.001 0.000 0.272 114 L C 0.796 177.658 176.870 -0.013 0.000 1.187 114 L CA 0.991 55.828 54.840 -0.006 0.000 0.895 114 L CB 0.649 42.709 42.059 0.002 0.000 1.147 114 L HN 0.193 nan 8.230 nan 0.000 0.483 115 K N 1.355 121.742 120.400 -0.022 0.000 2.412 115 K HA 0.249 4.570 4.320 0.001 0.000 0.202 115 K C 0.167 176.745 176.600 -0.037 0.000 1.102 115 K CA -0.052 56.221 56.287 -0.023 0.000 1.027 115 K CB 0.535 33.025 32.500 -0.017 0.000 0.931 115 K HN 0.430 nan 8.250 nan 0.000 0.557 116 S N 0.689 116.360 115.700 -0.050 0.000 2.575 116 S HA 0.502 4.973 4.470 0.001 0.000 0.278 116 S C -1.441 173.091 174.600 -0.115 0.000 1.139 116 S CA -0.558 57.600 58.200 -0.069 0.000 0.954 116 S CB 1.917 65.096 63.200 -0.036 0.000 1.054 116 S HN 0.033 nan 8.310 nan 0.000 0.483 117 V N 5.041 124.841 119.914 -0.190 0.000 2.577 117 V HA 0.504 4.625 4.120 0.001 0.000 0.303 117 V C -0.690 175.170 176.094 -0.390 0.000 1.042 117 V CA -0.689 61.404 62.300 -0.345 0.000 0.872 117 V CB 1.627 33.130 31.823 -0.532 0.000 0.998 117 V HN 1.014 nan 8.190 nan 0.000 0.423 118 H N 4.630 123.426 119.070 -0.456 0.000 2.708 118 H HA 0.603 5.160 4.556 0.001 0.000 0.320 118 H C -1.612 173.535 175.328 -0.301 0.000 0.991 118 H CA -0.759 55.092 56.048 -0.328 0.000 1.243 118 H CB 0.837 30.508 29.762 -0.153 0.000 1.446 118 H HN 0.495 nan 8.280 nan 0.000 0.502 119 F N 3.774 123.841 119.950 0.194 0.000 2.415 119 F HA 0.382 4.910 4.527 0.001 0.000 0.348 119 F C 0.349 176.228 175.800 0.132 0.000 1.119 119 F CA -0.805 57.232 58.000 0.061 0.000 1.069 119 F CB 1.345 40.345 39.000 0.001 0.000 1.124 119 F HN 0.461 nan 8.300 nan 0.000 0.472 120 R N 2.835 123.445 120.500 0.184 0.000 2.439 120 R HA 0.520 4.860 4.340 0.001 0.000 0.310 120 R C -0.136 176.179 176.300 0.026 0.000 0.955 120 R CA -0.604 55.548 56.100 0.088 0.000 0.853 120 R CB 0.632 30.890 30.300 -0.071 0.000 1.171 120 R HN 0.745 nan 8.270 nan 0.000 0.449 121 R N 3.399 123.918 120.500 0.031 0.000 3.336 121 R HA -0.172 4.169 4.340 0.001 0.000 0.260 121 R C -0.709 175.595 176.300 0.006 0.000 1.032 121 R CA 1.034 57.130 56.100 -0.007 0.000 0.693 121 R CB -1.154 29.109 30.300 -0.061 0.000 1.134 121 R HN 0.587 nan 8.270 nan 0.000 0.433 122 M N 0.435 120.050 119.600 0.025 0.000 2.716 122 M HA 0.486 4.967 4.480 0.001 0.000 0.307 122 M C 0.334 176.628 176.300 -0.010 0.000 1.223 122 M CA -1.145 54.142 55.300 -0.022 0.000 0.871 122 M CB 1.767 34.309 32.600 -0.096 0.000 1.739 122 M HN -0.105 nan 8.290 nan 0.000 0.475 123 I N 2.752 123.284 120.570 -0.063 0.000 2.337 123 I HA 0.290 4.461 4.170 0.001 0.000 0.291 123 I C -0.454 175.688 176.117 0.043 0.000 1.046 123 I CA -0.377 60.919 61.300 -0.005 0.000 1.324 123 I CB 0.339 38.272 38.000 -0.112 0.000 1.409 123 I HN 0.294 nan 8.210 nan 0.000 0.494 124 V N 6.097 126.085 119.914 0.124 0.000 2.444 124 V HA 0.326 4.446 4.120 0.001 0.000 0.294 124 V C 0.442 176.666 176.094 0.217 0.000 1.022 124 V CA -0.532 61.816 62.300 0.081 0.000 0.850 124 V CB 1.806 33.631 31.823 0.003 0.000 0.992 124 V HN 0.905 nan 8.190 nan 0.000 0.426 125 S N 2.147 117.938 115.700 0.151 0.000 2.693 125 S HA 0.349 4.819 4.470 0.001 0.000 0.276 125 S C 0.620 175.307 174.600 0.144 0.000 1.192 125 S CA -0.505 57.797 58.200 0.171 0.000 0.994 125 S CB 1.486 64.759 63.200 0.122 0.000 1.012 125 S HN 0.602 nan 8.310 nan 0.000 0.550 126 D N 0.087 120.575 120.400 0.147 0.000 2.144 126 D HA -0.057 4.584 4.640 0.001 0.000 0.200 126 D C 1.745 178.085 176.300 0.067 0.000 0.978 126 D CA 0.809 54.876 54.000 0.112 0.000 0.833 126 D CB -0.414 40.450 40.800 0.107 0.000 0.961 126 D HN 0.427 nan 8.370 nan 0.000 0.470 127 L N 1.477 122.735 121.223 0.058 0.000 2.017 127 L HA -0.184 4.156 4.340 0.001 0.000 0.208 127 L C 1.396 178.284 176.870 0.029 0.000 1.073 127 L CA 1.995 56.857 54.840 0.036 0.000 0.745 127 L CB -0.782 41.294 42.059 0.029 0.000 0.894 127 L HN -0.021 nan 8.230 nan 0.000 0.432 128 D N -0.504 119.917 120.400 0.036 0.000 2.178 128 D HA -0.225 4.416 4.640 0.001 0.000 0.202 128 D C 2.094 178.414 176.300 0.034 0.000 0.974 128 D CA 1.736 55.754 54.000 0.030 0.000 0.841 128 D CB -0.819 39.994 40.800 0.022 0.000 0.953 128 D HN 0.550 nan 8.370 nan 0.000 0.478 129 L N -1.426 119.811 121.223 0.024 0.000 2.240 129 L HA 0.146 4.487 4.340 0.001 0.000 0.211 129 L C 1.737 178.613 176.870 0.009 0.000 1.106 129 L CA 1.621 56.468 54.840 0.012 0.000 0.793 129 L CB -0.705 41.329 42.059 -0.042 0.000 0.927 129 L HN -0.173 nan 8.230 nan 0.000 0.446 130 D N 0.912 121.319 120.400 0.012 0.000 2.117 130 D HA -0.196 4.445 4.640 0.001 0.000 0.197 130 D C 2.359 178.630 176.300 -0.049 0.000 0.987 130 D CA 1.528 55.523 54.000 -0.007 0.000 0.829 130 D CB 0.126 40.931 40.800 0.009 0.000 0.961 130 D HN 0.262 nan 8.370 nan 0.000 0.460 131 R N -0.254 120.234 120.500 -0.021 0.000 2.092 131 R HA -0.003 4.338 4.340 0.001 0.000 0.231 131 R C 2.425 178.714 176.300 -0.018 0.000 1.119 131 R CA 0.543 56.628 56.100 -0.025 0.000 0.970 131 R CB -0.348 29.951 30.300 -0.001 0.000 0.864 131 R HN 0.291 nan 8.270 nan 0.000 0.440 132 L N 0.347 121.577 121.223 0.012 0.000 2.046 132 L HA -0.157 4.184 4.340 0.001 0.000 0.208 132 L C 2.349 179.217 176.870 -0.004 0.000 1.077 132 L CA 1.518 56.378 54.840 0.032 0.000 0.747 132 L CB -0.474 41.629 42.059 0.073 0.000 0.896 132 L HN 0.244 nan 8.230 nan 0.000 0.432 133 A N 0.044 122.849 122.820 -0.024 0.000 1.877 133 A HA -0.254 4.067 4.320 0.001 0.000 0.216 133 A C 2.237 179.755 177.584 -0.108 0.000 1.186 133 A CA 1.893 53.912 52.037 -0.030 0.000 0.620 133 A CB -0.384 18.624 19.000 0.013 0.000 0.822 133 A HN 0.392 nan 8.150 nan 0.000 0.443 134 K N -0.447 119.816 120.400 -0.229 0.000 2.148 134 K HA 0.047 4.367 4.320 0.001 0.000 0.204 134 K C 2.180 178.716 176.600 -0.107 0.000 1.050 134 K CA 0.953 57.080 56.287 -0.267 0.000 0.942 134 K CB -0.241 32.082 32.500 -0.294 0.000 0.724 134 K HN 0.438 nan 8.250 nan 0.000 0.446 135 A N 0.767 123.549 122.820 -0.063 0.000 1.968 135 A HA -0.071 4.249 4.320 0.001 0.000 0.217 135 A C 2.013 179.591 177.584 -0.010 0.000 1.169 135 A CA 1.335 53.357 52.037 -0.025 0.000 0.638 135 A CB -0.047 18.950 19.000 -0.005 0.000 0.812 135 A HN 0.063 nan 8.150 nan 0.000 0.446 136 R N -2.448 118.047 120.500 -0.008 0.000 2.310 136 R HA 0.474 4.814 4.340 0.001 0.000 0.199 136 R C 1.323 177.628 176.300 0.008 0.000 0.891 136 R CA 1.049 57.150 56.100 0.002 0.000 1.060 136 R CB -0.324 29.979 30.300 0.004 0.000 1.188 136 R HN 0.560 nan 8.270 nan 0.000 0.607 137 A N 0.909 123.737 122.820 0.014 0.000 5.393 137 A HA -0.396 3.924 4.320 0.001 0.000 0.342 137 A C 1.160 178.765 177.584 0.035 0.000 1.698 137 A CA 2.050 54.112 52.037 0.042 0.000 0.727 137 A CB -1.697 17.329 19.000 0.044 0.000 1.446 137 A HN 0.401 nan 8.150 nan 0.000 0.408 138 D N 0.030 120.448 120.400 0.030 0.000 2.351 138 D HA 0.038 4.679 4.640 0.001 0.000 0.216 138 D C 1.118 177.425 176.300 0.012 0.000 0.968 138 D CA 1.321 55.333 54.000 0.021 0.000 0.899 138 D CB -0.352 40.458 40.800 0.017 0.000 0.907 138 D HN 0.481 nan 8.370 nan 0.000 0.514 139 D N -0.418 119.987 120.400 0.009 0.000 2.323 139 D HA -0.022 4.619 4.640 0.001 0.000 0.209 139 D C 0.552 176.850 176.300 -0.003 0.000 0.973 139 D CA -0.041 53.961 54.000 0.003 0.000 0.874 139 D CB 0.044 40.846 40.800 0.002 0.000 0.930 139 D HN 0.132 nan 8.370 nan 0.000 0.521 140 L N 1.849 123.071 121.223 -0.002 0.000 2.536 140 L HA 0.041 4.382 4.340 0.001 0.000 0.282 140 L C 1.151 178.014 176.870 -0.013 0.000 1.147 140 L CA 0.381 55.213 54.840 -0.013 0.000 0.936 140 L CB 0.051 42.102 42.059 -0.013 0.000 1.279 140 L HN -0.099 nan 8.230 nan 0.000 0.461 141 E N 1.298 121.486 120.200 -0.018 0.000 2.170 141 E HA -0.013 4.337 4.350 0.001 0.000 0.191 141 E C 0.233 176.818 176.600 -0.025 0.000 0.981 141 E CA 0.860 57.251 56.400 -0.016 0.000 0.830 141 E CB 0.347 30.038 29.700 -0.016 0.000 0.775 141 E HN 0.651 nan 8.360 nan 0.000 0.470 142 T N -0.275 114.253 114.554 -0.042 0.000 2.993 142 T HA 0.472 4.823 4.350 0.001 0.000 0.312 142 T C -1.824 172.817 174.700 -0.099 0.000 1.115 142 T CA -0.912 61.152 62.100 -0.060 0.000 1.027 142 T CB 1.432 70.265 68.868 -0.059 0.000 1.116 142 T HN -0.016 nan 8.240 nan 0.000 0.464 143 L N 3.485 124.641 121.223 -0.113 0.000 2.409 143 L HA 0.732 5.073 4.340 0.001 0.000 0.272 143 L C -1.181 175.580 176.870 -0.183 0.000 0.980 143 L CA -0.338 54.401 54.840 -0.168 0.000 0.826 143 L CB 1.716 43.694 42.059 -0.135 0.000 1.268 143 L HN 0.748 nan 8.230 nan 0.000 0.407 144 K N 6.692 126.936 120.400 -0.261 0.000 2.507 144 K HA 0.483 4.804 4.320 0.001 0.000 0.253 144 K C -1.204 175.293 176.600 -0.171 0.000 0.969 144 K CA -0.445 55.670 56.287 -0.286 0.000 0.908 144 K CB 1.379 33.504 32.500 -0.626 0.000 1.127 144 K HN 0.584 nan 8.250 nan 0.000 0.437 145 L N 3.242 124.424 121.223 -0.069 0.000 2.328 145 L HA 0.168 4.508 4.340 0.001 0.000 0.280 145 L C -0.134 176.800 176.870 0.106 0.000 1.111 145 L CA -0.446 54.423 54.840 0.049 0.000 0.909 145 L CB -0.073 41.968 42.059 -0.029 0.000 1.277 145 L HN 0.501 nan 8.230 nan 0.000 0.433 146 D N 4.936 125.410 120.400 0.124 0.000 2.412 146 D HA 0.156 4.797 4.640 0.001 0.000 0.224 146 D C 0.260 176.628 176.300 0.114 0.000 1.093 146 D CA -0.425 53.645 54.000 0.116 0.000 0.850 146 D CB 0.591 41.515 40.800 0.207 0.000 1.046 146 D HN 0.326 nan 8.370 nan 0.000 0.507 147 K N 1.647 122.094 120.400 0.079 0.000 3.071 147 K HA -0.170 4.151 4.320 0.001 0.000 0.265 147 K C -0.338 176.296 176.600 0.056 0.000 1.060 147 K CA 0.376 56.681 56.287 0.030 0.000 0.767 147 K CB -2.223 30.265 32.500 -0.021 0.000 1.241 147 K HN 0.423 nan 8.250 nan 0.000 0.486 148 C N 0.306 119.690 119.300 0.141 0.000 2.325 148 C HA 0.699 5.160 4.460 0.001 0.000 0.370 148 C C 1.057 176.171 174.990 0.207 0.000 1.217 148 C CA -0.139 58.993 59.018 0.191 0.000 2.254 148 C CB 1.470 29.379 27.740 0.282 0.000 2.282 148 C HN 0.632 nan 8.230 nan 0.000 0.564 149 S N -0.972 114.842 115.700 0.189 0.000 2.651 149 S HA 0.793 5.264 4.470 0.001 0.000 0.279 149 S C 0.012 174.710 174.600 0.162 0.000 1.148 149 S CA 0.292 58.531 58.200 0.065 0.000 0.837 149 S CB 1.287 64.472 63.200 -0.025 0.000 1.138 149 S HN 2.325 nan 8.310 nan 0.000 0.478 150 G N -0.101 108.721 108.800 0.038 0.000 2.179 150 G HA2 -0.107 3.854 3.960 0.001 0.000 0.220 150 G HA3 -0.107 3.854 3.960 0.001 0.000 0.220 150 G C -0.184 174.837 174.900 0.202 0.000 0.990 150 G CA 0.138 45.311 45.100 0.123 0.000 0.646 150 G HN 1.514 nan 8.290 nan 0.000 0.517 151 F N 0.508 120.514 119.950 0.093 0.000 2.629 151 F HA 0.946 5.474 4.527 0.001 0.000 0.386 151 F C 0.474 176.340 175.800 0.110 0.000 1.135 151 F CA -0.279 57.772 58.000 0.086 0.000 1.116 151 F CB 1.047 40.087 39.000 0.065 0.000 1.426 151 F HN 0.512 nan 8.300 nan 0.000 0.501 152 T N -3.957 110.753 114.554 0.259 0.000 2.681 152 T HA 0.287 4.637 4.350 0.001 0.000 0.296 152 T C 0.625 175.379 174.700 0.090 0.000 1.157 152 T CA -0.005 62.155 62.100 0.100 0.000 1.025 152 T CB 0.775 69.695 68.868 0.086 0.000 1.441 152 T HN 0.964 nan 8.240 nan 0.000 0.504 153 T N -1.293 113.264 114.554 0.005 0.000 2.962 153 T HA -0.044 4.307 4.350 0.001 0.000 0.270 153 T C 1.163 175.888 174.700 0.040 0.000 1.088 153 T CA 1.527 63.610 62.100 -0.029 0.000 1.127 153 T CB -0.787 68.136 68.868 0.092 0.000 0.883 153 T HN 0.603 nan 8.240 nan 0.000 0.493 154 D N 1.909 122.352 120.400 0.072 0.000 2.149 154 D HA -0.022 4.619 4.640 0.001 0.000 0.198 154 D C 2.381 178.724 176.300 0.071 0.000 0.990 154 D CA 1.444 55.490 54.000 0.078 0.000 0.839 154 D CB -0.947 39.899 40.800 0.077 0.000 0.948 154 D HN 0.586 nan 8.370 nan 0.000 0.460 155 G N 0.764 109.609 108.800 0.076 0.000 2.421 155 G HA2 -0.183 3.778 3.960 0.001 0.000 0.216 155 G HA3 -0.183 3.778 3.960 0.001 0.000 0.216 155 G C 1.794 176.685 174.900 -0.015 0.000 1.171 155 G CA 0.266 45.394 45.100 0.046 0.000 0.775 155 G HN 0.248 nan 8.290 nan 0.000 0.543 156 L N -0.337 120.839 121.223 -0.078 0.000 2.046 156 L HA -0.050 4.291 4.340 0.001 0.000 0.208 156 L C 2.723 179.590 176.870 -0.005 0.000 1.077 156 L CA 0.544 55.273 54.840 -0.184 0.000 0.747 156 L CB -0.477 41.236 42.059 -0.575 0.000 0.896 156 L HN 0.217 nan 8.230 nan 0.000 0.432 157 L N -0.508 120.760 121.223 0.076 0.000 2.046 157 L HA -0.219 4.122 4.340 0.001 0.000 0.208 157 L C 2.764 179.694 176.870 0.100 0.000 1.077 157 L CA 1.967 56.888 54.840 0.136 0.000 0.747 157 L CB -0.671 41.467 42.059 0.131 0.000 0.896 157 L HN 0.158 nan 8.230 nan 0.000 0.432 158 S N -0.553 115.209 115.700 0.103 0.000 2.370 158 S HA -0.199 4.272 4.470 0.001 0.000 0.226 158 S C 2.079 176.802 174.600 0.206 0.000 1.033 158 S CA 1.708 60.012 58.200 0.174 0.000 1.011 158 S CB -0.595 62.696 63.200 0.153 0.000 0.852 158 S HN 0.596 nan 8.310 nan 0.000 0.457 159 I N 0.667 121.297 120.570 0.101 0.000 2.406 159 I HA 0.035 4.206 4.170 0.001 0.000 0.249 159 I C 2.081 178.248 176.117 0.082 0.000 1.122 159 I CA 1.229 62.579 61.300 0.083 0.000 1.431 159 I CB -0.648 37.360 38.000 0.013 0.000 1.087 159 I HN 0.232 nan 8.210 nan 0.000 0.424 160 V N -0.384 119.578 119.914 0.081 0.000 2.970 160 V HA -0.096 4.025 4.120 0.001 0.000 0.260 160 V C 2.441 178.558 176.094 0.038 0.000 1.100 160 V CA 1.821 64.172 62.300 0.084 0.000 1.122 160 V CB -1.809 30.101 31.823 0.145 0.000 0.721 160 V HN 0.714 nan 8.190 nan 0.000 0.483 161 T N -1.784 112.765 114.554 -0.008 0.000 3.009 161 T HA -0.026 4.324 4.350 0.001 0.000 0.258 161 T C 1.648 176.221 174.700 -0.213 0.000 1.063 161 T CA 1.381 63.397 62.100 -0.141 0.000 1.139 161 T CB -0.561 68.173 68.868 -0.223 0.000 0.890 161 T HN 0.619 nan 8.240 nan 0.000 0.471 162 H N -0.479 118.587 119.070 -0.006 0.000 2.547 162 H HA 0.395 4.952 4.556 0.001 0.000 0.272 162 H C 0.421 175.744 175.328 -0.008 0.000 0.971 162 H CA 0.127 56.169 56.048 -0.011 0.000 1.245 162 H CB 0.196 29.956 29.762 -0.004 0.000 1.440 162 H HN 0.356 nan 8.280 nan 0.000 0.540 163 C N 2.162 121.524 119.300 0.104 0.000 2.170 163 C HA 0.279 4.740 4.460 0.001 0.000 0.339 163 C C 1.194 176.206 174.990 0.036 0.000 1.056 163 C CA -0.660 58.394 59.018 0.059 0.000 1.535 163 C CB -0.579 27.189 27.740 0.047 0.000 1.785 163 C HN 0.563 nan 8.230 nan 0.000 0.440 164 R N 0.799 121.314 120.500 0.024 0.000 2.313 164 R HA 0.032 4.373 4.340 0.001 0.000 0.199 164 R C 0.902 177.216 176.300 0.022 0.000 0.958 164 R CA 0.573 56.681 56.100 0.015 0.000 1.047 164 R CB 0.183 30.480 30.300 -0.005 0.000 0.955 164 R HN 0.608 nan 8.270 nan 0.000 0.481 165 K N 0.895 121.308 120.400 0.020 0.000 2.564 165 K HA 0.278 4.599 4.320 0.001 0.000 0.205 165 K C -0.163 176.447 176.600 0.016 0.000 1.053 165 K CA -0.196 56.101 56.287 0.017 0.000 1.072 165 K CB 0.808 33.314 32.500 0.011 0.000 0.822 165 K HN 0.026 nan 8.250 nan 0.000 0.497 166 I N 2.207 122.790 120.570 0.022 0.000 2.828 166 I HA -0.143 4.028 4.170 0.001 0.000 0.292 166 I C 1.097 177.226 176.117 0.019 0.000 1.206 166 I CA 0.830 62.141 61.300 0.018 0.000 1.420 166 I CB 0.352 38.370 38.000 0.029 0.000 1.368 166 I HN 0.186 nan 8.210 nan 0.000 0.556 167 K N 3.066 123.471 120.400 0.009 0.000 2.202 167 K HA 0.017 4.337 4.320 0.001 0.000 0.201 167 K C 0.774 177.381 176.600 0.011 0.000 1.051 167 K CA 0.743 57.035 56.287 0.009 0.000 0.977 167 K CB 0.235 32.734 32.500 -0.001 0.000 0.792 167 K HN 0.749 nan 8.250 nan 0.000 0.469 168 T N 0.283 114.836 114.554 -0.001 0.000 2.928 168 T HA 0.485 4.836 4.350 0.001 0.000 0.296 168 T C -1.740 172.954 174.700 -0.011 0.000 1.000 168 T CA -0.875 61.222 62.100 -0.005 0.000 0.989 168 T CB 1.187 70.040 68.868 -0.024 0.000 1.005 168 T HN -0.025 nan 8.240 nan 0.000 0.442 169 L N 5.525 126.759 121.223 0.018 0.000 2.404 169 L HA 0.841 5.182 4.340 0.001 0.000 0.272 169 L C -1.823 175.075 176.870 0.047 0.000 0.980 169 L CA -0.702 54.153 54.840 0.024 0.000 0.836 169 L CB 1.555 43.657 42.059 0.073 0.000 1.238 169 L HN 0.864 nan 8.230 nan 0.000 0.408 170 L N 5.333 126.557 121.223 0.001 0.000 2.408 170 L HA 0.602 4.942 4.340 0.001 0.000 0.268 170 L C -0.505 176.399 176.870 0.056 0.000 0.986 170 L CA -0.317 54.539 54.840 0.027 0.000 0.820 170 L CB 2.099 44.125 42.059 -0.056 0.000 1.303 170 L HN 0.882 nan 8.230 nan 0.000 0.411 171 M N 2.717 122.415 119.600 0.164 0.000 2.410 171 M HA 0.233 4.714 4.480 0.001 0.000 0.376 171 M C -0.040 176.409 176.300 0.247 0.000 1.051 171 M CA -0.206 55.239 55.300 0.242 0.000 0.949 171 M CB 0.811 33.635 32.600 0.374 0.000 1.577 171 M HN 0.583 nan 8.290 nan 0.000 0.560 172 E N 2.390 122.694 120.200 0.174 0.000 2.708 172 E HA -0.178 4.172 4.350 0.001 0.000 0.260 172 E C 0.034 176.681 176.600 0.077 0.000 0.937 172 E CA 0.948 57.431 56.400 0.138 0.000 0.953 172 E CB 0.271 30.041 29.700 0.115 0.000 0.915 172 E HN 0.352 nan 8.360 nan 0.000 0.487 173 E N 1.206 121.411 120.200 0.008 0.000 3.065 173 E HA -0.243 4.108 4.350 0.001 0.000 0.277 173 E C -0.903 175.651 176.600 -0.077 0.000 1.008 173 E CA 0.636 56.992 56.400 -0.074 0.000 0.864 173 E CB -0.848 28.808 29.700 -0.073 0.000 1.439 173 E HN 0.384 nan 8.360 nan 0.000 0.445 174 S N 0.030 115.721 115.700 -0.016 0.000 2.586 174 S HA 0.380 4.850 4.470 0.001 0.000 0.274 174 S C -0.080 174.297 174.600 -0.372 0.000 1.281 174 S CA -0.219 57.974 58.200 -0.013 0.000 1.035 174 S CB 1.554 64.955 63.200 0.335 0.000 0.962 174 S HN 0.333 nan 8.310 nan 0.000 0.512 175 S N 2.720 118.168 115.700 -0.421 0.000 2.437 175 S HA 0.821 5.292 4.470 0.001 0.000 0.305 175 S C -0.576 173.540 174.600 -0.808 0.000 1.109 175 S CA -0.785 56.976 58.200 -0.732 0.000 1.099 175 S CB 0.074 63.005 63.200 -0.448 0.000 1.004 175 S HN 0.616 nan 8.310 nan 0.000 0.475 176 F N -0.740 118.850 119.950 -0.599 0.000 2.715 176 F HA 0.790 5.317 4.527 0.001 0.000 0.318 176 F C -0.451 175.105 175.800 -0.408 0.000 1.141 176 F CA -1.324 56.217 58.000 -0.764 0.000 0.950 176 F CB 1.013 39.271 39.000 -1.236 0.000 1.374 176 F HN 0.398 nan 8.300 nan 0.000 0.477 177 S N 0.373 116.113 115.700 0.067 0.000 2.438 177 S HA 0.203 4.674 4.470 0.001 0.000 0.293 177 S C -0.667 174.033 174.600 0.166 0.000 1.141 177 S CA -0.605 57.645 58.200 0.084 0.000 1.080 177 S CB 0.826 64.044 63.200 0.031 0.000 0.978 177 S HN 0.624 nan 8.310 nan 0.000 0.479 178 E N 3.041 123.352 120.200 0.185 0.000 2.001 178 E HA 0.185 4.535 4.350 0.001 0.000 0.279 178 E C 0.177 176.861 176.600 0.139 0.000 1.045 178 E CA -0.244 56.274 56.400 0.197 0.000 0.833 178 E CB 0.303 30.167 29.700 0.273 0.000 1.077 178 E HN 0.470 nan 8.360 nan 0.000 0.397 179 K N 2.698 123.170 120.400 0.120 0.000 2.262 179 K HA 0.047 4.368 4.320 0.001 0.000 0.200 179 K C -0.253 176.405 176.600 0.097 0.000 1.049 179 K CA 0.951 57.294 56.287 0.093 0.000 0.979 179 K CB 0.256 32.802 32.500 0.077 0.000 0.773 179 K HN 0.575 nan 8.250 nan 0.000 0.474 180 D N -3.207 117.271 120.400 0.130 0.000 2.713 180 D HA 0.179 4.820 4.640 0.001 0.000 0.306 180 D C -0.052 176.330 176.300 0.137 0.000 1.299 180 D CA -0.883 53.182 54.000 0.107 0.000 0.823 180 D CB 0.491 41.334 40.800 0.073 0.000 1.353 180 D HN -0.121 nan 8.370 nan 0.000 0.447 181 G N -1.229 107.591 108.800 0.034 0.000 3.575 181 G HA2 0.097 4.058 3.960 0.001 0.000 0.273 181 G HA3 0.097 4.058 3.960 0.001 0.000 0.273 181 G C 0.462 175.244 174.900 -0.197 0.000 1.053 181 G CA -0.416 44.619 45.100 -0.107 0.000 0.803 181 G HN 0.416 nan 8.290 nan 0.000 0.528 182 K N 0.453 120.836 120.400 -0.029 0.000 2.365 182 K HA -0.029 4.291 4.320 0.001 0.000 0.199 182 K C 2.094 178.702 176.600 0.013 0.000 1.045 182 K CA 0.507 56.792 56.287 -0.004 0.000 0.962 182 K CB -0.170 32.355 32.500 0.042 0.000 0.759 182 K HN 0.583 nan 8.250 nan 0.000 0.469 183 W N 1.803 123.073 121.300 -0.050 0.000 2.354 183 W HA -0.145 4.515 4.660 0.001 0.000 0.315 183 W C 1.419 177.890 176.519 -0.080 0.000 1.206 183 W CA 0.443 57.745 57.345 -0.073 0.000 1.290 183 W CB -1.119 28.267 29.460 -0.124 0.000 1.152 183 W HN -0.019 nan 8.180 nan 0.000 0.489 184 L N 0.615 121.038 121.223 -1.333 0.000 2.042 184 L HA -0.279 4.062 4.340 0.001 0.000 0.210 184 L C 2.965 179.582 176.870 -0.423 0.000 1.076 184 L CA 2.557 56.740 54.840 -1.094 0.000 0.749 184 L CB -0.887 40.406 42.059 -1.277 0.000 0.893 184 L HN 0.100 nan 8.230 nan 0.000 0.432 185 H N -0.395 118.451 119.070 -0.373 0.000 2.357 185 H HA -0.237 4.320 4.556 0.001 0.000 0.301 185 H C 2.101 177.364 175.328 -0.109 0.000 1.082 185 H CA 1.985 57.913 56.048 -0.200 0.000 1.342 185 H CB 0.223 29.893 29.762 -0.154 0.000 1.389 185 H HN 0.276 nan 8.280 nan 0.000 0.511 186 E N 0.295 120.481 120.200 -0.023 0.000 2.077 186 E HA -0.132 4.219 4.350 0.001 0.000 0.193 186 E C 2.234 178.840 176.600 0.011 0.000 0.989 186 E CA 1.283 57.704 56.400 0.035 0.000 0.800 186 E CB -0.400 29.356 29.700 0.094 0.000 0.746 186 E HN 0.574 nan 8.360 nan 0.000 0.452 187 L N -0.108 121.100 121.223 -0.024 0.000 2.012 187 L HA -0.193 4.147 4.340 0.001 0.000 0.210 187 L C 2.537 179.361 176.870 -0.076 0.000 1.073 187 L CA 1.254 56.087 54.840 -0.010 0.000 0.748 187 L CB -0.640 41.423 42.059 0.008 0.000 0.891 187 L HN 0.261 nan 8.230 nan 0.000 0.431 188 A N -0.821 121.897 122.820 -0.169 0.000 1.940 188 A HA -0.266 4.054 4.320 0.001 0.000 0.219 188 A C 2.188 179.614 177.584 -0.263 0.000 1.176 188 A CA 1.719 53.630 52.037 -0.210 0.000 0.631 188 A CB -0.423 18.410 19.000 -0.280 0.000 0.814 188 A HN 0.519 nan 8.150 nan 0.000 0.446 189 Q N -2.222 117.367 119.800 -0.351 0.000 2.269 189 Q HA -0.029 4.311 4.340 0.001 0.000 0.201 189 Q C 1.110 176.750 176.000 -0.598 0.000 0.946 189 Q CA 1.016 56.523 55.803 -0.494 0.000 0.877 189 Q CB 0.126 28.506 28.738 -0.597 0.000 0.963 189 Q HN 0.860 nan 8.270 nan 0.000 0.472 190 H N -2.264 116.752 119.070 -0.090 0.000 3.643 190 H HA 0.162 4.719 4.556 0.001 0.000 0.256 190 H C -0.125 175.180 175.328 -0.038 0.000 1.107 190 H CA -0.173 55.842 56.048 -0.055 0.000 1.175 190 H CB 0.568 30.302 29.762 -0.046 0.000 1.519 190 H HN 0.080 nan 8.280 nan 0.000 0.565 191 N N 0.701 119.437 118.700 0.060 0.000 2.499 191 N HA 0.065 4.806 4.740 0.001 0.000 0.281 191 N C 0.568 176.090 175.510 0.019 0.000 1.098 191 N CA 0.313 53.389 53.050 0.043 0.000 0.979 191 N CB 1.426 39.939 38.487 0.044 0.000 1.121 191 N HN -0.090 nan 8.380 nan 0.000 0.466 192 T N -0.363 114.204 114.554 0.020 0.000 2.969 192 T HA 0.057 4.408 4.350 0.001 0.000 0.258 192 T C 1.008 175.715 174.700 0.012 0.000 0.962 192 T CA 0.200 62.306 62.100 0.010 0.000 0.903 192 T CB 0.087 68.960 68.868 0.008 0.000 1.177 192 T HN 0.633 nan 8.240 nan 0.000 0.511 193 S N 0.407 116.118 115.700 0.018 0.000 2.512 193 S HA 0.319 4.789 4.470 0.001 0.000 0.216 193 S C 0.481 175.093 174.600 0.020 0.000 1.006 193 S CA -0.444 57.765 58.200 0.015 0.000 0.915 193 S CB -0.148 63.060 63.200 0.014 0.000 0.824 193 S HN 0.186 nan 8.310 nan 0.000 0.497 194 L N 3.114 124.355 121.223 0.030 0.000 2.706 194 L HA 0.054 4.395 4.340 0.001 0.000 0.282 194 L C 1.036 177.928 176.870 0.036 0.000 1.219 194 L CA 0.920 55.785 54.840 0.041 0.000 0.935 194 L CB -0.190 41.906 42.059 0.061 0.000 1.204 194 L HN 0.306 nan 8.230 nan 0.000 0.491 195 E N 2.557 122.775 120.200 0.030 0.000 2.290 195 E HA 0.156 4.506 4.350 0.001 0.000 0.199 195 E C -0.507 176.111 176.600 0.030 0.000 0.912 195 E CA 0.270 56.684 56.400 0.023 0.000 0.924 195 E CB 0.914 30.619 29.700 0.009 0.000 0.901 195 E HN 0.428 nan 8.360 nan 0.000 0.487 196 V N 1.036 120.967 119.914 0.028 0.000 2.623 196 V HA 0.565 4.685 4.120 0.001 0.000 0.304 196 V C -1.957 174.162 176.094 0.042 0.000 1.054 196 V CA -0.969 61.347 62.300 0.025 0.000 0.882 196 V CB 1.837 33.659 31.823 -0.003 0.000 1.002 196 V HN 0.045 nan 8.190 nan 0.000 0.424 197 L N 5.532 126.787 121.223 0.054 0.000 2.381 197 L HA 0.766 5.107 4.340 0.001 0.000 0.274 197 L C -1.032 175.852 176.870 0.022 0.000 0.988 197 L CA -0.004 54.897 54.840 0.101 0.000 0.824 197 L CB 1.853 44.008 42.059 0.159 0.000 1.263 197 L HN 0.894 nan 8.230 nan 0.000 0.410 198 N N 4.869 123.617 118.700 0.079 0.000 2.581 198 N HA 0.329 5.069 4.740 0.001 0.000 0.279 198 N C -1.493 174.129 175.510 0.187 0.000 1.124 198 N CA -0.375 52.674 53.050 -0.001 0.000 0.833 198 N CB 0.735 39.221 38.487 -0.003 0.000 1.338 198 N HN 0.511 nan 8.380 nan 0.000 0.533 199 F N 2.732 122.783 119.950 0.169 0.000 2.761 199 F HA 0.365 4.893 4.527 0.001 0.000 0.367 199 F C 0.850 176.785 175.800 0.225 0.000 1.386 199 F CA -0.925 57.231 58.000 0.261 0.000 1.177 199 F CB -0.261 39.021 39.000 0.471 0.000 1.092 199 F HN 0.216 nan 8.300 nan 0.000 0.517 200 Y N 2.087 122.369 120.300 -0.030 0.000 2.081 200 Y HA -0.135 4.416 4.550 0.001 0.000 0.280 200 Y C 1.403 177.242 175.900 -0.103 0.000 1.163 200 Y CA 1.716 59.737 58.100 -0.132 0.000 1.135 200 Y CB 0.074 38.456 38.460 -0.129 0.000 0.970 200 Y HN 0.429 nan 8.280 nan 0.000 0.498 201 M N 1.641 121.159 119.600 -0.136 0.000 3.106 201 M HA 0.270 4.751 4.480 0.001 0.000 0.213 201 M C -1.021 175.160 176.300 -0.198 0.000 1.117 201 M CA -0.165 54.913 55.300 -0.370 0.000 0.900 201 M CB -0.267 32.085 32.600 -0.414 0.000 1.339 201 M HN 0.171 nan 8.290 nan 0.000 0.542 202 T N -1.551 112.945 114.554 -0.097 0.000 2.933 202 T HA 0.554 4.905 4.350 0.001 0.000 0.305 202 T C -0.806 173.815 174.700 -0.131 0.000 1.092 202 T CA -0.926 61.101 62.100 -0.122 0.000 1.008 202 T CB 1.465 70.362 68.868 0.049 0.000 1.102 202 T HN 0.374 nan 8.240 nan 0.000 0.469 203 E N 2.596 122.619 120.200 -0.296 0.000 1.932 203 E HA 0.279 4.630 4.350 0.001 0.000 0.275 203 E C -1.237 175.218 176.600 -0.242 0.000 1.159 203 E CA -0.195 56.077 56.400 -0.212 0.000 0.905 203 E CB -0.082 29.480 29.700 -0.230 0.000 1.059 203 E HN 0.536 nan 8.360 nan 0.000 0.400 204 F N 0.769 120.764 119.950 0.076 0.000 2.449 204 F HA 0.397 4.925 4.527 0.001 0.000 0.342 204 F C 0.817 176.621 175.800 0.008 0.000 1.127 204 F CA -0.789 57.252 58.000 0.070 0.000 0.975 204 F CB 1.971 40.976 39.000 0.008 0.000 1.146 204 F HN 0.479 nan 8.300 nan 0.000 0.444 205 A N 2.725 125.681 122.820 0.227 0.000 2.419 205 A HA 0.226 4.547 4.320 0.001 0.000 0.233 205 A C 1.198 178.866 177.584 0.140 0.000 1.217 205 A CA -0.023 52.098 52.037 0.141 0.000 0.944 205 A CB 0.019 19.074 19.000 0.093 0.000 1.025 205 A HN 0.703 nan 8.150 nan 0.000 0.524 206 K N 0.531 121.031 120.400 0.167 0.000 2.387 206 K HA 0.304 4.624 4.320 0.001 0.000 0.203 206 K C 0.121 176.751 176.600 0.050 0.000 1.030 206 K CA -0.060 56.291 56.287 0.107 0.000 1.099 206 K CB 0.280 32.845 32.500 0.108 0.000 0.863 206 K HN 0.706 nan 8.250 nan 0.000 0.529 207 I N -1.810 118.784 120.570 0.041 0.000 2.566 207 I HA 0.325 4.495 4.170 0.001 0.000 0.303 207 I C -0.067 176.120 176.117 0.116 0.000 0.983 207 I CA -0.760 60.500 61.300 -0.065 0.000 1.235 207 I CB 1.743 39.563 38.000 -0.300 0.000 1.386 207 I HN -0.226 nan 8.210 nan 0.000 0.494 208 S N 5.171 120.890 115.700 0.031 0.000 2.442 208 S HA 0.475 4.945 4.470 0.001 0.000 0.297 208 S C -1.366 173.185 174.600 -0.083 0.000 1.131 208 S CA -1.646 56.565 58.200 0.019 0.000 1.092 208 S CB 1.202 64.384 63.200 -0.030 0.000 0.998 208 S HN 0.634 nan 8.310 nan 0.000 0.478 209 P HA -0.127 nan 4.420 nan 0.000 0.219 209 P C 0.969 178.083 177.300 -0.311 0.000 1.146 209 P CA 0.947 63.648 63.100 -0.666 0.000 0.808 209 P CB 0.132 31.353 31.700 -0.797 0.000 0.779 210 K N 0.339 120.633 120.400 -0.177 0.000 2.063 210 K HA -0.150 4.170 4.320 0.001 0.000 0.208 210 K C 1.746 178.297 176.600 -0.080 0.000 1.048 210 K CA 1.214 57.440 56.287 -0.102 0.000 0.928 210 K CB -1.126 31.338 32.500 -0.060 0.000 0.713 210 K HN 0.209 nan 8.250 nan 0.000 0.442 211 D N 0.884 121.237 120.400 -0.078 0.000 2.123 211 D HA -0.153 4.488 4.640 0.001 0.000 0.196 211 D C 1.967 178.219 176.300 -0.079 0.000 0.992 211 D CA 0.710 54.660 54.000 -0.084 0.000 0.833 211 D CB -0.097 40.641 40.800 -0.103 0.000 0.954 211 D HN 0.020 nan 8.370 nan 0.000 0.455 212 L N 1.303 122.478 121.223 -0.080 0.000 2.056 212 L HA -0.107 4.233 4.340 0.001 0.000 0.207 212 L C 2.191 179.123 176.870 0.102 0.000 1.078 212 L CA 1.704 56.524 54.840 -0.033 0.000 0.749 212 L CB -0.535 41.428 42.059 -0.159 0.000 0.901 212 L HN -0.033 nan 8.230 nan 0.000 0.433 213 E N -1.366 118.870 120.200 0.060 0.000 2.085 213 E HA -0.291 4.060 4.350 0.001 0.000 0.194 213 E C 2.061 178.695 176.600 0.056 0.000 0.994 213 E CA 1.786 58.262 56.400 0.126 0.000 0.801 213 E CB -0.204 29.508 29.700 0.019 0.000 0.743 213 E HN 0.585 nan 8.360 nan 0.000 0.453 214 T N -0.370 114.183 114.554 -0.003 0.000 2.951 214 T HA -0.069 4.282 4.350 0.001 0.000 0.268 214 T C 1.923 176.609 174.700 -0.024 0.000 1.073 214 T CA 1.070 63.149 62.100 -0.034 0.000 1.134 214 T CB -0.301 68.524 68.868 -0.072 0.000 0.884 214 T HN 0.231 nan 8.240 nan 0.000 0.479 215 I N 1.491 122.064 120.570 0.005 0.000 2.226 215 I HA -0.104 4.066 4.170 0.001 0.000 0.245 215 I C 3.107 179.257 176.117 0.055 0.000 1.100 215 I CA 1.235 62.553 61.300 0.029 0.000 1.374 215 I CB -0.629 37.409 38.000 0.062 0.000 1.057 215 I HN 0.363 nan 8.210 nan 0.000 0.413 216 A N 0.656 123.535 122.820 0.098 0.000 1.933 216 A HA -0.242 4.079 4.320 0.001 0.000 0.218 216 A C 2.396 179.951 177.584 -0.048 0.000 1.175 216 A CA 1.745 53.786 52.037 0.008 0.000 0.628 216 A CB -0.584 18.335 19.000 -0.136 0.000 0.814 216 A HN 0.341 nan 8.150 nan 0.000 0.444 217 R N -0.698 119.779 120.500 -0.038 0.000 2.148 217 R HA -0.010 4.331 4.340 0.001 0.000 0.223 217 R C 1.246 177.521 176.300 -0.041 0.000 1.088 217 R CA 1.327 57.397 56.100 -0.050 0.000 0.985 217 R CB -0.048 30.223 30.300 -0.047 0.000 0.880 217 R HN 0.470 nan 8.270 nan 0.000 0.451 218 N N -1.208 117.473 118.700 -0.032 0.000 2.356 218 N HA 0.044 4.785 4.740 0.001 0.000 0.178 218 N C -0.690 174.810 175.510 -0.017 0.000 1.075 218 N CA 0.309 53.342 53.050 -0.029 0.000 0.889 218 N CB 0.643 39.108 38.487 -0.037 0.000 0.999 218 N HN 0.075 nan 8.380 nan 0.000 0.464 219 C N 1.799 121.094 119.300 -0.008 0.000 2.184 219 C HA 0.378 4.839 4.460 0.001 0.000 0.328 219 C C 1.618 176.605 174.990 -0.006 0.000 1.081 219 C CA -0.771 58.248 59.018 0.002 0.000 1.533 219 C CB 0.093 27.847 27.740 0.023 0.000 1.905 219 C HN 0.187 nan 8.230 nan 0.000 0.439 220 R N 1.068 121.562 120.500 -0.011 0.000 2.189 220 R HA -0.031 4.310 4.340 0.001 0.000 0.223 220 R C 1.730 178.022 176.300 -0.013 0.000 1.092 220 R CA 0.982 57.071 56.100 -0.018 0.000 0.989 220 R CB -0.123 30.167 30.300 -0.018 0.000 0.876 220 R HN 0.594 nan 8.270 nan 0.000 0.457 221 S N 0.141 115.839 115.700 -0.005 0.000 2.614 221 S HA 0.161 4.632 4.470 0.001 0.000 0.230 221 S C -0.136 174.469 174.600 0.008 0.000 0.952 221 S CA -0.518 57.681 58.200 -0.001 0.000 0.949 221 S CB 0.010 63.210 63.200 -0.001 0.000 0.786 221 S HN 0.068 nan 8.310 nan 0.000 0.478 222 L N 2.398 123.628 121.223 0.012 0.000 2.456 222 L HA 0.201 4.541 4.340 0.001 0.000 0.277 222 L C 0.691 177.581 176.870 0.034 0.000 1.124 222 L CA 0.578 55.439 54.840 0.035 0.000 0.880 222 L CB 0.462 42.552 42.059 0.052 0.000 1.192 222 L HN 0.030 nan 8.230 nan 0.000 0.463 223 V N 2.578 122.515 119.914 0.039 0.000 3.307 223 V HA 0.263 4.383 4.120 0.001 0.000 0.244 223 V C 0.613 176.740 176.094 0.054 0.000 1.196 223 V CA 0.700 63.020 62.300 0.034 0.000 1.132 223 V CB 0.588 32.420 31.823 0.014 0.000 0.875 223 V HN 0.781 nan 8.190 nan 0.000 0.468 224 S N 0.449 116.184 115.700 0.058 0.000 2.614 224 S HA 0.663 5.133 4.470 0.001 0.000 0.288 224 S C -1.331 173.302 174.600 0.055 0.000 1.137 224 S CA -0.344 57.885 58.200 0.049 0.000 0.992 224 S CB 1.664 64.862 63.200 -0.005 0.000 1.026 224 S HN 0.428 nan 8.310 nan 0.000 0.486 225 V N 4.283 124.240 119.914 0.071 0.000 2.760 225 V HA 0.774 4.894 4.120 0.001 0.000 0.309 225 V C -1.614 174.294 176.094 -0.310 0.000 1.077 225 V CA -0.598 61.682 62.300 -0.033 0.000 0.910 225 V CB 1.783 33.675 31.823 0.115 0.000 1.008 225 V HN 0.906 nan 8.190 nan 0.000 0.424 226 K N 4.270 124.400 120.400 -0.450 0.000 2.371 226 K HA 0.900 5.221 4.320 0.001 0.000 0.251 226 K C -1.546 174.652 176.600 -0.670 0.000 0.934 226 K CA -0.771 55.148 56.287 -0.613 0.000 0.798 226 K CB 2.679 34.880 32.500 -0.498 0.000 1.204 226 K HN 0.615 nan 8.250 nan 0.000 0.427 227 V N 0.459 120.053 119.914 -0.534 0.000 3.206 227 V HA 0.476 4.596 4.120 0.001 0.000 0.305 227 V C 0.247 176.273 176.094 -0.113 0.000 1.257 227 V CA -0.590 61.378 62.300 -0.553 0.000 1.057 227 V CB 2.314 33.912 31.823 -0.375 0.000 1.075 227 V HN 0.994 nan 8.190 nan 0.000 0.443 228 G N -0.308 108.502 108.800 0.017 0.000 2.783 228 G HA2 0.197 4.157 3.960 0.001 0.000 0.182 228 G HA3 0.197 4.157 3.960 0.001 0.000 0.182 228 G C -0.192 174.716 174.900 0.015 0.000 1.516 228 G CA -0.003 45.123 45.100 0.044 0.000 1.079 228 G HN 0.656 nan 8.290 nan 0.000 0.573 229 D N 0.495 120.909 120.400 0.023 0.000 2.676 229 D HA 0.166 4.807 4.640 0.001 0.000 0.239 229 D C -0.055 176.361 176.300 0.193 0.000 1.213 229 D CA -0.082 53.998 54.000 0.132 0.000 0.835 229 D CB -0.556 40.327 40.800 0.138 0.000 1.009 229 D HN 0.140 nan 8.370 nan 0.000 0.479 230 F N 1.345 121.406 119.950 0.186 0.000 2.608 230 F HA -0.061 4.467 4.527 0.001 0.000 0.380 230 F C 1.611 177.508 175.800 0.163 0.000 1.083 230 F CA -0.291 57.800 58.000 0.152 0.000 1.266 230 F CB 0.657 39.732 39.000 0.125 0.000 1.076 230 F HN -0.185 nan 8.300 nan 0.000 0.574 231 E N 3.987 124.397 120.200 0.350 0.000 2.406 231 E HA -0.052 4.299 4.350 0.001 0.000 0.258 231 E C 0.978 177.726 176.600 0.247 0.000 1.043 231 E CA 0.145 56.702 56.400 0.263 0.000 0.929 231 E CB 0.598 30.414 29.700 0.193 0.000 0.969 231 E HN 0.550 nan 8.360 nan 0.000 0.462 232 I N 4.740 125.477 120.570 0.278 0.000 2.315 232 I HA -0.341 3.830 4.170 0.001 0.000 0.251 232 I C 2.162 178.422 176.117 0.239 0.000 1.125 232 I CA 1.049 62.503 61.300 0.257 0.000 1.392 232 I CB -0.127 37.980 38.000 0.179 0.000 1.065 232 I HN 0.597 nan 8.210 nan 0.000 0.424 233 L N -0.303 121.091 121.223 0.286 0.000 2.131 233 L HA -0.230 4.111 4.340 0.001 0.000 0.210 233 L C 2.213 179.132 176.870 0.081 0.000 1.092 233 L CA 1.324 56.279 54.840 0.192 0.000 0.759 233 L CB -0.489 41.654 42.059 0.141 0.000 0.903 233 L HN 0.309 nan 8.230 nan 0.000 0.435 234 E N -0.274 119.955 120.200 0.049 0.000 2.418 234 E HA -0.123 4.228 4.350 0.001 0.000 0.197 234 E C 1.655 178.183 176.600 -0.120 0.000 1.026 234 E CA 0.492 56.864 56.400 -0.046 0.000 0.862 234 E CB 0.147 29.799 29.700 -0.081 0.000 0.799 234 E HN 0.520 nan 8.360 nan 0.000 0.518 235 L N 0.106 121.274 121.223 -0.093 0.000 2.667 235 L HA 0.056 4.396 4.340 0.001 0.000 0.232 235 L C 1.732 178.543 176.870 -0.097 0.000 1.138 235 L CA -0.229 54.488 54.840 -0.204 0.000 0.921 235 L CB 0.492 42.321 42.059 -0.384 0.000 1.180 235 L HN 0.003 nan 8.230 nan 0.000 0.487 236 V N 0.681 120.612 119.914 0.028 0.000 2.332 236 V HA -0.248 3.872 4.120 0.001 0.000 0.248 236 V C 2.576 178.693 176.094 0.039 0.000 1.055 236 V CA 2.339 64.690 62.300 0.085 0.000 1.038 236 V CB -0.879 30.967 31.823 0.039 0.000 0.651 236 V HN 0.621 nan 8.190 nan 0.000 0.450 237 G N -0.956 107.841 108.800 -0.005 0.000 2.418 237 G HA2 -0.321 3.640 3.960 0.001 0.000 0.217 237 G HA3 -0.321 3.640 3.960 0.001 0.000 0.217 237 G C 1.547 176.430 174.900 -0.029 0.000 1.158 237 G CA 0.991 46.079 45.100 -0.020 0.000 0.771 237 G HN 0.511 nan 8.290 nan 0.000 0.545 238 F N 0.954 120.784 119.950 -0.200 0.000 2.095 238 F HA -0.010 4.517 4.527 0.001 0.000 0.298 238 F C 2.316 177.998 175.800 -0.197 0.000 1.104 238 F CA 1.450 59.299 58.000 -0.251 0.000 1.232 238 F CB -0.340 38.417 39.000 -0.406 0.000 0.987 238 F HN 0.150 nan 8.300 nan 0.000 0.475 239 F N 0.723 120.570 119.950 -0.171 0.000 2.134 239 F HA -0.165 4.363 4.527 0.001 0.000 0.299 239 F C 2.388 178.015 175.800 -0.289 0.000 1.097 239 F CA 1.361 59.181 58.000 -0.299 0.000 1.264 239 F CB -0.486 38.394 39.000 -0.201 0.000 1.001 239 F HN -0.140 nan 8.300 nan 0.000 0.479 240 K N 0.123 120.507 120.400 -0.026 0.000 2.147 240 K HA -0.146 4.175 4.320 0.001 0.000 0.205 240 K C 2.161 178.690 176.600 -0.118 0.000 1.049 240 K CA 1.181 57.426 56.287 -0.070 0.000 0.936 240 K CB -0.322 32.145 32.500 -0.054 0.000 0.722 240 K HN 0.240 nan 8.250 nan 0.000 0.446 241 A N 1.084 123.798 122.820 -0.176 0.000 1.975 241 A HA 0.137 4.457 4.320 0.001 0.000 0.215 241 A C 1.647 179.096 177.584 -0.225 0.000 1.170 241 A CA 0.782 52.714 52.037 -0.176 0.000 0.656 241 A CB -0.042 18.865 19.000 -0.155 0.000 0.821 241 A HN 0.233 nan 8.150 nan 0.000 0.449 242 A N 0.318 122.912 122.820 -0.377 0.000 3.029 242 A HA 0.527 4.848 4.320 0.001 0.000 0.251 242 A C 1.639 179.118 177.584 -0.175 0.000 1.749 242 A CA 0.677 52.506 52.037 -0.347 0.000 1.386 242 A CB -1.147 17.464 19.000 -0.648 0.000 1.043 242 A HN 0.914 nan 8.150 nan 0.000 0.638 243 A N 1.154 123.900 122.820 -0.125 0.000 1.927 243 A HA -0.220 4.101 4.320 0.001 0.000 0.220 243 A C 1.678 179.224 177.584 -0.064 0.000 1.185 243 A CA 2.003 53.990 52.037 -0.084 0.000 0.639 243 A CB -0.335 18.624 19.000 -0.068 0.000 0.820 243 A HN 0.602 nan 8.150 nan 0.000 0.451 244 N N -0.799 117.869 118.700 -0.054 0.000 2.270 244 N HA 0.154 4.894 4.740 0.001 0.000 0.198 244 N C -0.221 175.280 175.510 -0.016 0.000 1.117 244 N CA -0.194 52.836 53.050 -0.032 0.000 0.845 244 N CB -0.184 38.288 38.487 -0.024 0.000 0.980 244 N HN 0.368 nan 8.380 nan 0.000 0.486 245 L N 1.519 122.733 121.223 -0.014 0.000 2.559 245 L HA -0.035 4.306 4.340 0.001 0.000 0.274 245 L C 1.159 178.050 176.870 0.035 0.000 1.205 245 L CA 0.923 55.786 54.840 0.038 0.000 0.907 245 L CB 0.461 42.569 42.059 0.082 0.000 1.153 245 L HN 0.161 nan 8.230 nan 0.000 0.490 246 E N 2.374 122.602 120.200 0.046 0.000 2.434 246 E HA 0.115 4.466 4.350 0.001 0.000 0.207 246 E C -0.205 176.425 176.600 0.050 0.000 0.929 246 E CA 0.039 56.457 56.400 0.029 0.000 1.001 246 E CB 0.794 30.502 29.700 0.013 0.000 1.016 246 E HN 0.651 nan 8.360 nan 0.000 0.502 247 E N 0.484 120.735 120.200 0.085 0.000 2.272 247 E HA 0.419 4.770 4.350 0.001 0.000 0.269 247 E C -1.846 174.871 176.600 0.196 0.000 0.877 247 E CA -0.652 55.798 56.400 0.083 0.000 0.755 247 E CB 1.574 31.278 29.700 0.006 0.000 1.192 247 E HN -0.061 nan 8.360 nan 0.000 0.422 248 F N 4.497 124.470 119.950 0.037 0.000 2.588 248 F HA 0.568 5.096 4.527 0.001 0.000 0.318 248 F C -1.680 174.115 175.800 -0.008 0.000 1.155 248 F CA -0.474 57.580 58.000 0.091 0.000 0.967 248 F CB 1.076 40.266 39.000 0.316 0.000 1.236 248 F HN 0.607 nan 8.300 nan 0.000 0.455 249 C N 3.943 122.754 119.300 -0.814 0.000 2.712 249 C HA 1.014 5.475 4.460 0.001 0.000 0.308 249 C C 0.550 175.076 174.990 -0.774 0.000 1.201 249 C CA 0.004 58.625 59.018 -0.662 0.000 1.554 249 C CB 0.759 27.931 27.740 -0.946 0.000 2.117 249 C HN 1.400 nan 8.230 nan 0.000 0.480 250 G N 0.977 109.720 108.800 -0.095 0.000 2.443 250 G HA2 0.492 4.453 3.960 0.001 0.000 0.209 250 G HA3 0.492 4.453 3.960 0.001 0.000 0.209 250 G C 0.151 175.224 174.900 0.288 0.000 1.176 250 G CA 0.227 45.394 45.100 0.112 0.000 1.074 250 G HN 2.750 nan 8.290 nan 0.000 0.577 251 G N -1.507 107.478 108.800 0.309 0.000 2.877 251 G HA2 0.362 4.323 3.960 0.001 0.000 0.279 251 G HA3 0.362 4.323 3.960 0.001 0.000 0.279 251 G C 0.129 175.237 174.900 0.347 0.000 1.431 251 G CA 1.036 46.397 45.100 0.435 0.000 0.883 251 G HN 2.289 nan 8.290 nan 0.000 0.547 252 S N -0.935 114.979 115.700 0.356 0.000 2.594 252 S HA 0.656 5.127 4.470 0.001 0.000 0.296 252 S C -0.186 174.587 174.600 0.287 0.000 1.124 252 S CA -0.689 57.743 58.200 0.387 0.000 1.011 252 S CB 0.843 64.238 63.200 0.325 0.000 1.016 252 S HN 0.810 nan 8.310 nan 0.000 0.485 253 L N 5.465 126.844 121.223 0.259 0.000 2.272 253 L HA 0.484 4.824 4.340 0.001 0.000 0.284 253 L C -0.316 176.697 176.870 0.238 0.000 1.045 253 L CA -0.494 54.417 54.840 0.119 0.000 0.842 253 L CB 0.639 42.660 42.059 -0.063 0.000 1.224 253 L HN 0.580 nan 8.230 nan 0.000 0.430 254 N N 4.201 123.095 118.700 0.322 0.000 2.558 254 N HA 0.147 4.887 4.740 0.001 0.000 0.242 254 N C -0.490 175.161 175.510 0.235 0.000 0.979 254 N CA -0.439 52.739 53.050 0.214 0.000 0.931 254 N CB 1.600 40.168 38.487 0.134 0.000 1.122 254 N HN 0.612 nan 8.380 nan 0.000 0.508 255 E N 1.213 121.532 120.200 0.199 0.000 2.331 255 E HA 0.178 4.529 4.350 0.001 0.000 0.272 255 E C -0.882 175.754 176.600 0.060 0.000 1.036 255 E CA -0.571 55.913 56.400 0.141 0.000 0.864 255 E CB 0.913 30.696 29.700 0.139 0.000 1.035 255 E HN 0.406 nan 8.360 nan 0.000 0.408 256 D N 3.834 124.244 120.400 0.017 0.000 2.619 256 D HA 0.122 4.762 4.640 0.001 0.000 0.241 256 D C 1.012 177.311 176.300 -0.002 0.000 1.087 256 D CA -0.757 53.246 54.000 0.005 0.000 0.851 256 D CB 1.233 42.028 40.800 -0.008 0.000 1.474 256 D HN 0.348 nan 8.370 nan 0.000 0.478 257 I N 1.604 122.176 120.570 0.004 0.000 2.423 257 I HA -0.150 4.021 4.170 0.001 0.000 0.254 257 I C 2.502 178.616 176.117 -0.006 0.000 1.151 257 I CA 1.221 62.523 61.300 0.003 0.000 1.421 257 I CB -1.699 36.305 38.000 0.006 0.000 1.079 257 I HN 0.717 nan 8.210 nan 0.000 0.431 258 G N 1.821 110.614 108.800 -0.012 0.000 2.553 258 G HA2 -0.235 3.726 3.960 0.001 0.000 0.218 258 G HA3 -0.235 3.726 3.960 0.001 0.000 0.218 258 G C 0.990 175.873 174.900 -0.028 0.000 1.195 258 G CA 0.410 45.499 45.100 -0.018 0.000 0.779 258 G HN 0.360 nan 8.290 nan 0.000 0.577 259 M N 2.174 121.748 119.600 -0.043 0.000 2.080 259 M HA 0.222 4.703 4.480 0.001 0.000 0.350 259 M C -1.615 174.655 176.300 -0.051 0.000 1.143 259 M CA -1.736 53.528 55.300 -0.060 0.000 1.064 259 M CB 2.233 34.772 32.600 -0.101 0.000 1.429 259 M HN 0.012 nan 8.290 nan 0.000 0.418 260 P HA -0.113 nan 4.420 nan 0.000 0.219 260 P C 0.164 177.459 177.300 -0.008 0.000 1.150 260 P CA 1.310 64.404 63.100 -0.009 0.000 0.814 260 P CB 0.299 31.998 31.700 -0.003 0.000 0.787 261 E N -0.245 119.939 120.200 -0.026 0.000 2.723 261 E HA 0.091 4.442 4.350 0.001 0.000 0.219 261 E C 1.399 177.953 176.600 -0.077 0.000 1.060 261 E CA -0.292 56.095 56.400 -0.022 0.000 1.291 261 E CB 0.151 29.845 29.700 -0.011 0.000 1.265 261 E HN 0.139 nan 8.360 nan 0.000 0.438 262 K N 0.085 120.389 120.400 -0.161 0.000 2.059 262 K HA -0.217 4.103 4.320 0.001 0.000 0.212 262 K C 0.563 176.874 176.600 -0.481 0.000 1.050 262 K CA 1.675 57.732 56.287 -0.384 0.000 0.927 262 K CB 0.126 32.262 32.500 -0.608 0.000 0.714 262 K HN 0.208 nan 8.250 nan 0.000 0.447 263 Y N -1.340 118.961 120.300 0.000 0.000 2.858 263 Y HA 0.007 4.558 4.550 0.001 0.000 0.196 263 Y C 1.637 177.523 175.900 -0.023 0.000 0.925 263 Y CA -0.117 57.977 58.100 -0.011 0.000 1.172 263 Y CB 0.001 38.463 38.460 0.003 0.000 1.050 263 Y HN -0.171 nan 8.280 nan 0.000 0.460 264 M N -1.270 118.430 119.600 0.166 0.000 2.816 264 M HA -0.335 4.145 4.480 0.001 0.000 0.152 264 M C -0.388 175.935 176.300 0.037 0.000 0.690 264 M CA 1.280 56.623 55.300 0.072 0.000 0.578 264 M CB -2.022 30.605 32.600 0.046 0.000 2.121 264 M HN 0.480 nan 8.290 nan 0.000 0.269 265 N N 0.180 118.895 118.700 0.025 0.000 2.480 265 N HA 0.356 5.096 4.740 0.001 0.000 0.281 265 N C -0.842 174.635 175.510 -0.055 0.000 1.381 265 N CA -0.142 52.901 53.050 -0.011 0.000 0.903 265 N CB 0.479 38.958 38.487 -0.014 0.000 1.274 265 N HN 0.159 nan 8.380 nan 0.000 0.505 266 L N 1.687 122.846 121.223 -0.107 0.000 2.319 266 L HA 0.290 4.631 4.340 0.001 0.000 0.280 266 L C 0.394 177.047 176.870 -0.362 0.000 1.099 266 L CA -0.610 54.037 54.840 -0.321 0.000 0.828 266 L CB 0.729 42.416 42.059 -0.620 0.000 1.150 266 L HN 0.015 nan 8.230 nan 0.000 0.442 267 V N 1.776 121.487 119.914 -0.339 0.000 2.356 267 V HA 0.319 4.440 4.120 0.001 0.000 0.258 267 V C 0.048 175.867 176.094 -0.458 0.000 1.065 267 V CA -0.518 61.620 62.300 -0.269 0.000 0.935 267 V CB -0.775 30.962 31.823 -0.143 0.000 1.061 267 V HN 0.373 nan 8.190 nan 0.000 0.484 268 F N 5.221 124.966 119.950 -0.343 0.000 2.385 268 F HA 0.550 5.078 4.527 0.001 0.000 0.336 268 F C -1.548 174.003 175.800 -0.415 0.000 1.100 268 F CA -2.294 55.383 58.000 -0.539 0.000 1.116 268 F CB 1.247 39.866 39.000 -0.635 0.000 1.166 268 F HN 0.369 nan 8.300 nan 0.000 0.511 269 P HA -0.008 nan 4.420 nan 0.000 0.264 269 P C -0.935 176.254 177.300 -0.185 0.000 1.183 269 P CA -0.034 63.001 63.100 -0.108 0.000 0.763 269 P CB 0.327 32.002 31.700 -0.041 0.000 0.807 270 R N 3.681 124.090 120.500 -0.152 0.000 2.878 270 R HA 0.210 4.550 4.340 0.001 0.000 0.239 270 R C 0.590 176.818 176.300 -0.120 0.000 1.515 270 R CA 0.052 56.056 56.100 -0.159 0.000 1.210 270 R CB -0.167 30.073 30.300 -0.100 0.000 1.209 270 R HN 0.533 nan 8.270 nan 0.000 0.610 271 K N 0.096 120.412 120.400 -0.140 0.000 1.266 271 K HA 0.019 4.340 4.320 0.001 0.000 0.084 271 K C -0.059 176.501 176.600 -0.067 0.000 2.319 271 K CA -0.186 56.057 56.287 -0.074 0.000 0.984 271 K CB 0.128 32.598 32.500 -0.050 0.000 2.557 271 K HN 0.283 nan 8.250 nan 0.000 0.330 272 L N 2.778 123.928 121.223 -0.122 0.000 2.667 272 L HA -0.114 4.227 4.340 0.001 0.000 0.278 272 L C 0.838 177.699 176.870 -0.015 0.000 1.217 272 L CA 1.304 56.088 54.840 -0.093 0.000 0.935 272 L CB 0.270 42.186 42.059 -0.239 0.000 1.193 272 L HN 0.737 nan 8.230 nan 0.000 0.493 273 C N 1.699 121.022 119.300 0.037 0.000 4.150 273 C HA 0.385 4.846 4.460 0.001 0.000 0.330 273 C C 0.450 175.466 174.990 0.043 0.000 1.905 273 C CA -0.825 58.234 59.018 0.067 0.000 1.724 273 C CB -0.137 27.629 27.740 0.043 0.000 3.096 273 C HN 0.826 nan 8.230 nan 0.000 0.601 274 R N 1.847 122.366 120.500 0.032 0.000 2.468 274 R HA 0.806 5.147 4.340 0.001 0.000 0.302 274 R C -0.970 175.339 176.300 0.014 0.000 1.041 274 R CA -0.009 56.097 56.100 0.009 0.000 0.899 274 R CB 1.491 31.787 30.300 -0.007 0.000 1.167 274 R HN 0.711 nan 8.270 nan 0.000 0.483 275 L N -1.120 120.105 121.223 0.002 0.000 2.671 275 L HA 1.008 5.348 4.340 0.001 0.000 0.259 275 L C -1.210 175.660 176.870 -0.000 0.000 1.021 275 L CA -0.866 53.987 54.840 0.021 0.000 0.871 275 L CB 2.596 44.676 42.059 0.036 0.000 1.472 275 L HN 0.566 nan 8.230 nan 0.000 0.410 276 G N 2.238 111.059 108.800 0.036 0.000 2.417 276 G HA2 0.503 4.463 3.960 0.001 0.000 0.282 276 G HA3 0.503 4.463 3.960 0.001 0.000 0.282 276 G C -1.400 173.584 174.900 0.140 0.000 1.388 276 G CA -0.525 44.608 45.100 0.054 0.000 1.276 276 G HN 0.582 nan 8.290 nan 0.000 0.602 277 L N 2.045 123.346 121.223 0.130 0.000 2.265 277 L HA 0.401 4.742 4.340 0.001 0.000 0.288 277 L C 0.596 177.536 176.870 0.115 0.000 1.058 277 L CA -0.583 54.369 54.840 0.187 0.000 0.809 277 L CB 1.468 43.609 42.059 0.138 0.000 1.179 277 L HN 0.384 nan 8.230 nan 0.000 0.429 278 S N 2.157 117.923 115.700 0.109 0.000 2.565 278 S HA 0.250 4.720 4.470 0.001 0.000 0.276 278 S C -0.015 174.547 174.600 -0.063 0.000 1.326 278 S CA -0.260 57.872 58.200 -0.112 0.000 1.045 278 S CB 0.309 63.320 63.200 -0.315 0.000 0.918 278 S HN 0.644 nan 8.310 nan 0.000 0.505 279 Y N -1.936 118.438 120.300 0.122 0.000 4.929 279 Y HA -0.254 4.297 4.550 0.001 0.000 0.253 279 Y C 0.627 176.563 175.900 0.059 0.000 0.946 279 Y CA 0.423 58.576 58.100 0.088 0.000 1.905 279 Y CB -2.412 36.098 38.460 0.083 0.000 1.400 279 Y HN 0.721 nan 8.280 nan 0.000 0.531 280 M N 1.706 121.377 119.600 0.119 0.000 2.338 280 M HA 0.298 4.779 4.480 0.001 0.000 0.360 280 M C 0.984 177.313 176.300 0.048 0.000 1.547 280 M CA 1.400 56.730 55.300 0.051 0.000 1.001 280 M CB 0.187 32.784 32.600 -0.006 0.000 2.008 280 M HN 0.384 nan 8.290 nan 0.000 0.464 281 G N 5.019 113.851 108.800 0.052 0.000 2.557 281 G HA2 0.549 4.510 3.960 0.001 0.000 0.302 281 G HA3 0.549 4.510 3.960 0.001 0.000 0.302 281 G C -2.548 172.363 174.900 0.019 0.000 1.311 281 G CA -1.135 43.995 45.100 0.050 0.000 1.030 281 G HN 0.562 nan 8.290 nan 0.000 0.509 282 P HA -0.017 nan 4.420 nan 0.000 0.222 282 P C 1.408 178.719 177.300 0.019 0.000 1.153 282 P CA 0.622 63.736 63.100 0.023 0.000 0.798 282 P CB 0.275 32.000 31.700 0.042 0.000 0.796 283 N N 0.123 118.844 118.700 0.034 0.000 2.331 283 N HA -0.098 4.643 4.740 0.001 0.000 0.180 283 N C 1.356 176.886 175.510 0.033 0.000 1.019 283 N CA 1.034 54.109 53.050 0.041 0.000 0.881 283 N CB -0.239 38.285 38.487 0.061 0.000 0.972 283 N HN 0.407 nan 8.380 nan 0.000 0.435 284 E N 0.810 121.024 120.200 0.023 0.000 2.389 284 E HA 0.008 4.358 4.350 0.001 0.000 0.199 284 E C 1.830 178.361 176.600 -0.115 0.000 0.978 284 E CA -0.121 56.280 56.400 0.002 0.000 0.912 284 E CB -0.388 29.320 29.700 0.012 0.000 0.907 284 E HN 0.243 nan 8.360 nan 0.000 0.494 285 M N 1.977 121.491 119.600 -0.144 0.000 2.124 285 M HA -0.157 4.324 4.480 0.001 0.000 0.253 285 M C -0.912 175.026 176.300 -0.604 0.000 1.077 285 M CA 2.263 57.402 55.300 -0.268 0.000 1.085 285 M CB -1.013 31.483 32.600 -0.173 0.000 1.320 285 M HN -0.042 nan 8.290 nan 0.000 0.404 286 P HA -0.124 nan 4.420 nan 0.000 0.228 286 P C 1.432 178.299 177.300 -0.721 0.000 1.151 286 P CA 1.116 63.461 63.100 -1.259 0.000 0.770 286 P CB -0.854 30.579 31.700 -0.447 0.000 0.786 287 I N -3.859 116.503 120.570 -0.346 0.000 2.916 287 I HA -0.109 4.062 4.170 0.001 0.000 0.267 287 I C 1.230 177.290 176.117 -0.095 0.000 1.263 287 I CA 1.462 62.709 61.300 -0.089 0.000 1.471 287 I CB -0.937 37.117 38.000 0.090 0.000 1.089 287 I HN -0.019 nan 8.210 nan 0.000 0.468 288 L N -0.387 120.598 121.223 -0.397 0.000 2.375 288 L HA 0.002 4.343 4.340 0.001 0.000 0.215 288 L C 2.379 178.934 176.870 -0.524 0.000 1.108 288 L CA 0.392 54.873 54.840 -0.599 0.000 0.830 288 L CB -0.499 41.249 42.059 -0.518 0.000 0.959 288 L HN 0.079 nan 8.230 nan 0.000 0.457 289 F N 0.823 120.614 119.950 -0.265 0.000 2.126 289 F HA -0.097 4.430 4.527 0.001 0.000 0.299 289 F C 0.020 175.724 175.800 -0.161 0.000 1.096 289 F CA 0.545 58.425 58.000 -0.200 0.000 1.255 289 F CB -2.642 36.295 39.000 -0.104 0.000 0.997 289 F HN 0.111 nan 8.300 nan 0.000 0.479 290 P HA -0.204 nan 4.420 nan 0.000 0.219 290 P C 0.748 178.179 177.300 0.218 0.000 1.144 290 P CA 1.661 64.865 63.100 0.173 0.000 0.806 290 P CB -0.346 31.506 31.700 0.254 0.000 0.771 291 F N -6.065 113.909 119.950 0.039 0.000 2.901 291 F HA 0.694 5.222 4.527 0.001 0.000 0.329 291 F C 1.448 177.248 175.800 -0.000 0.000 1.185 291 F CA -0.451 57.554 58.000 0.009 0.000 1.114 291 F CB -0.794 38.198 39.000 -0.014 0.000 1.199 291 F HN -0.260 nan 8.300 nan 0.000 0.513 292 A N 1.296 123.941 122.820 -0.292 0.000 2.032 292 A HA 0.016 4.336 4.320 0.001 0.000 0.221 292 A C 2.341 179.884 177.584 -0.069 0.000 1.165 292 A CA 1.819 53.722 52.037 -0.222 0.000 0.645 292 A CB -1.040 17.884 19.000 -0.126 0.000 0.807 292 A HN 0.667 nan 8.150 nan 0.000 0.453 293 A N -1.392 121.420 122.820 -0.014 0.000 2.178 293 A HA -0.149 4.172 4.320 0.001 0.000 0.218 293 A C 2.007 179.613 177.584 0.036 0.000 1.157 293 A CA 1.580 53.625 52.037 0.013 0.000 0.689 293 A CB -0.343 18.672 19.000 0.024 0.000 0.787 293 A HN 0.675 nan 8.150 nan 0.000 0.465 294 Q N -0.928 118.914 119.800 0.069 0.000 2.392 294 Q HA 0.247 4.587 4.340 0.001 0.000 0.219 294 Q C -0.180 175.869 176.000 0.082 0.000 0.895 294 Q CA -0.199 55.663 55.803 0.097 0.000 0.929 294 Q CB 0.179 29.025 28.738 0.180 0.000 1.077 294 Q HN 0.649 nan 8.270 nan 0.000 0.532 295 I N 2.021 122.625 120.570 0.058 0.000 2.505 295 I HA -0.019 4.151 4.170 0.001 0.000 0.287 295 I C 0.948 177.076 176.117 0.018 0.000 1.104 295 I CA 0.469 61.790 61.300 0.034 0.000 1.387 295 I CB 0.610 38.591 38.000 -0.032 0.000 1.404 295 I HN 0.140 nan 8.210 nan 0.000 0.528 296 R N 4.382 124.895 120.500 0.021 0.000 2.335 296 R HA 0.218 4.559 4.340 0.001 0.000 0.210 296 R C 0.265 176.570 176.300 0.007 0.000 0.892 296 R CA -0.041 56.068 56.100 0.015 0.000 1.048 296 R CB 0.490 30.800 30.300 0.016 0.000 1.067 296 R HN 0.427 nan 8.270 nan 0.000 0.524 297 K N 1.064 121.465 120.400 0.002 0.000 2.513 297 K HA 0.345 4.665 4.320 0.001 0.000 0.251 297 K C -1.958 174.634 176.600 -0.014 0.000 0.939 297 K CA -0.661 55.622 56.287 -0.008 0.000 0.793 297 K CB 1.602 34.091 32.500 -0.018 0.000 1.241 297 K HN -0.184 nan 8.250 nan 0.000 0.431 298 L N 3.159 124.375 121.223 -0.013 0.000 2.381 298 L HA 0.413 4.753 4.340 0.001 0.000 0.274 298 L C -1.425 175.439 176.870 -0.011 0.000 0.988 298 L CA -0.253 54.575 54.840 -0.020 0.000 0.824 298 L CB 1.863 43.908 42.059 -0.024 0.000 1.263 298 L HN 0.635 nan 8.230 nan 0.000 0.410 299 D N 4.427 124.821 120.400 -0.009 0.000 2.460 299 D HA 0.260 4.900 4.640 0.001 0.000 0.268 299 D C 0.127 176.434 176.300 0.012 0.000 1.153 299 D CA -0.120 53.888 54.000 0.013 0.000 0.929 299 D CB 0.420 41.243 40.800 0.039 0.000 1.015 299 D HN 0.497 nan 8.370 nan 0.000 0.502 300 L N 2.848 124.059 121.223 -0.020 0.000 2.672 300 L HA 0.094 4.435 4.340 0.001 0.000 0.236 300 L C 1.719 178.544 176.870 -0.076 0.000 1.186 300 L CA -0.311 54.504 54.840 -0.041 0.000 0.977 300 L CB 0.132 42.152 42.059 -0.064 0.000 1.203 300 L HN 0.293 nan 8.230 nan 0.000 0.448 301 L N -0.256 120.861 121.223 -0.177 0.000 2.156 301 L HA -0.105 4.235 4.340 0.001 0.000 0.208 301 L C 1.131 177.579 176.870 -0.703 0.000 1.095 301 L CA 1.913 56.471 54.840 -0.470 0.000 0.770 301 L CB -0.491 41.147 42.059 -0.703 0.000 0.914 301 L HN 0.337 nan 8.230 nan 0.000 0.439 302 Y N -1.134 119.124 120.300 -0.069 0.000 2.720 302 Y HA 0.530 5.081 4.550 0.001 0.000 0.268 302 Y C 0.733 176.536 175.900 -0.162 0.000 1.142 302 Y CA -0.458 57.543 58.100 -0.165 0.000 1.193 302 Y CB -0.251 38.022 38.460 -0.312 0.000 1.176 302 Y HN 0.014 nan 8.280 nan 0.000 0.542 303 A N 0.593 123.409 122.820 -0.007 0.000 2.310 303 A HA 0.521 4.842 4.320 0.001 0.000 0.299 303 A C -0.054 177.568 177.584 0.065 0.000 1.147 303 A CA -0.349 51.698 52.037 0.016 0.000 0.818 303 A CB 0.548 19.530 19.000 -0.030 0.000 1.096 303 A HN 0.301 nan 8.150 nan 0.000 0.495 304 L N 3.225 124.504 121.223 0.094 0.000 3.035 304 L HA 0.264 4.605 4.340 0.001 0.000 0.232 304 L C 0.047 176.967 176.870 0.083 0.000 1.341 304 L CA 0.623 55.530 54.840 0.111 0.000 1.177 304 L CB -1.288 40.859 42.059 0.146 0.000 1.555 304 L HN 0.675 nan 8.230 nan 0.000 0.473 305 L N -2.605 118.662 121.223 0.074 0.000 2.341 305 L HA 0.708 5.048 4.340 0.001 0.000 0.267 305 L C -0.222 176.751 176.870 0.171 0.000 1.009 305 L CA -0.735 54.149 54.840 0.075 0.000 0.819 305 L CB 2.238 44.293 42.059 -0.007 0.000 1.323 305 L HN 0.060 nan 8.230 nan 0.000 0.425 306 E N 0.236 120.529 120.200 0.154 0.000 2.254 306 E HA 0.140 4.490 4.350 0.001 0.000 0.261 306 E C 0.408 177.125 176.600 0.195 0.000 1.051 306 E CA -0.334 56.151 56.400 0.142 0.000 0.902 306 E CB 1.780 31.528 29.700 0.081 0.000 1.168 306 E HN 0.778 nan 8.360 nan 0.000 0.423 307 T N -0.052 114.550 114.554 0.080 0.000 2.737 307 T HA -0.258 4.093 4.350 0.001 0.000 0.269 307 T C 1.617 176.367 174.700 0.083 0.000 1.040 307 T CA 2.115 64.229 62.100 0.024 0.000 1.142 307 T CB -0.073 68.776 68.868 -0.030 0.000 0.861 307 T HN 0.531 nan 8.240 nan 0.000 0.456 308 E N -0.067 120.177 120.200 0.074 0.000 2.038 308 E HA -0.175 4.176 4.350 0.001 0.000 0.195 308 E C 1.937 178.589 176.600 0.085 0.000 1.000 308 E CA 1.658 58.097 56.400 0.065 0.000 0.803 308 E CB -0.138 29.591 29.700 0.048 0.000 0.750 308 E HN 0.557 nan 8.360 nan 0.000 0.448 309 D N -0.278 120.182 120.400 0.101 0.000 2.182 309 D HA -0.182 4.459 4.640 0.001 0.000 0.201 309 D C 1.837 178.180 176.300 0.071 0.000 0.986 309 D CA 0.929 54.977 54.000 0.080 0.000 0.847 309 D CB -0.379 40.459 40.800 0.063 0.000 0.942 309 D HN 0.419 nan 8.370 nan 0.000 0.467 310 H N 0.025 119.105 119.070 0.015 0.000 2.321 310 H HA -0.094 4.463 4.556 0.001 0.000 0.300 310 H C 2.421 177.748 175.328 -0.001 0.000 1.087 310 H CA 1.240 57.293 56.048 0.008 0.000 1.319 310 H CB -0.112 29.654 29.762 0.006 0.000 1.379 310 H HN 0.234 nan 8.280 nan 0.000 0.501 311 C N 0.026 119.405 119.300 0.132 0.000 2.413 311 C HA -0.152 4.308 4.460 0.001 0.000 0.276 311 C C 3.157 178.132 174.990 -0.025 0.000 1.248 311 C CA 1.625 60.673 59.018 0.049 0.000 1.742 311 C CB -1.107 26.657 27.740 0.040 0.000 2.017 311 C HN 0.708 nan 8.230 nan 0.000 0.481 312 T N -0.504 114.040 114.554 -0.016 0.000 2.867 312 T HA -0.106 4.244 4.350 0.001 0.000 0.268 312 T C 1.717 176.366 174.700 -0.085 0.000 1.057 312 T CA 1.290 63.349 62.100 -0.069 0.000 1.136 312 T CB -0.314 68.539 68.868 -0.025 0.000 0.874 312 T HN 0.558 nan 8.240 nan 0.000 0.466 313 L N 0.005 121.226 121.223 -0.003 0.000 2.084 313 L HA 0.096 4.437 4.340 0.001 0.000 0.202 313 L C 2.616 179.459 176.870 -0.046 0.000 1.074 313 L CA 0.964 55.822 54.840 0.030 0.000 0.757 313 L CB -0.321 41.748 42.059 0.017 0.000 0.918 313 L HN 0.245 nan 8.230 nan 0.000 0.444 314 I N -0.002 120.543 120.570 -0.042 0.000 2.145 314 I HA -0.370 3.800 4.170 0.001 0.000 0.244 314 I C 2.528 178.579 176.117 -0.110 0.000 1.075 314 I CA 1.457 62.736 61.300 -0.034 0.000 1.332 314 I CB -1.317 36.697 38.000 0.022 0.000 1.033 314 I HN 0.520 nan 8.210 nan 0.000 0.410 315 Q N 1.572 121.230 119.800 -0.235 0.000 2.248 315 Q HA -0.212 4.128 4.340 0.001 0.000 0.208 315 Q C 1.627 177.363 176.000 -0.441 0.000 0.984 315 Q CA 1.478 56.934 55.803 -0.577 0.000 0.875 315 Q CB 0.042 28.395 28.738 -0.642 0.000 0.910 315 Q HN 0.574 nan 8.270 nan 0.000 0.433 316 K N -1.275 118.971 120.400 -0.257 0.000 2.404 316 K HA 0.118 4.439 4.320 0.001 0.000 0.194 316 K C 0.326 176.864 176.600 -0.104 0.000 1.023 316 K CA -0.110 56.060 56.287 -0.196 0.000 1.094 316 K CB 0.576 32.946 32.500 -0.217 0.000 0.841 316 K HN 0.053 nan 8.250 nan 0.000 0.523 317 C N 2.804 122.061 119.300 -0.073 0.000 3.075 317 C HA 0.215 4.676 4.460 0.001 0.000 0.262 317 C C -1.247 173.751 174.990 0.013 0.000 1.371 317 C CA -1.365 57.635 59.018 -0.029 0.000 1.594 317 C CB 0.117 27.839 27.740 -0.031 0.000 1.849 317 C HN 0.269 nan 8.230 nan 0.000 0.475 318 P HA -0.127 nan 4.420 nan 0.000 0.221 318 P C 0.724 178.052 177.300 0.047 0.000 1.145 318 P CA 1.548 64.686 63.100 0.063 0.000 0.795 318 P CB 0.212 31.948 31.700 0.060 0.000 0.775 319 N N -0.595 118.124 118.700 0.032 0.000 2.235 319 N HA 0.071 4.812 4.740 0.001 0.000 0.209 319 N C 0.412 175.938 175.510 0.027 0.000 1.122 319 N CA -0.361 52.706 53.050 0.029 0.000 0.845 319 N CB 0.027 38.530 38.487 0.027 0.000 1.004 319 N HN 0.135 nan 8.380 nan 0.000 0.499 320 L N 2.602 123.841 121.223 0.027 0.000 2.584 320 L HA -0.054 4.287 4.340 0.001 0.000 0.272 320 L C 1.385 178.274 176.870 0.032 0.000 1.195 320 L CA 0.735 55.590 54.840 0.025 0.000 0.920 320 L CB 0.427 42.502 42.059 0.027 0.000 1.173 320 L HN 0.231 nan 8.230 nan 0.000 0.489 321 E N 3.359 123.575 120.200 0.027 0.000 2.465 321 E HA 0.174 4.525 4.350 0.001 0.000 0.209 321 E C -0.358 176.261 176.600 0.033 0.000 0.951 321 E CA -0.116 56.303 56.400 0.032 0.000 0.997 321 E CB 0.402 30.119 29.700 0.027 0.000 1.025 321 E HN 0.361 nan 8.360 nan 0.000 0.500 322 V N 2.159 122.086 119.914 0.022 0.000 2.577 322 V HA 0.410 4.531 4.120 0.001 0.000 0.303 322 V C -1.258 174.849 176.094 0.023 0.000 1.042 322 V CA -0.975 61.337 62.300 0.020 0.000 0.872 322 V CB 1.961 33.779 31.823 -0.007 0.000 0.998 322 V HN 0.205 nan 8.190 nan 0.000 0.423 323 L N 4.337 125.585 121.223 0.041 0.000 2.409 323 L HA 0.708 5.049 4.340 0.001 0.000 0.272 323 L C -0.610 176.290 176.870 0.051 0.000 0.980 323 L CA 0.149 55.014 54.840 0.042 0.000 0.826 323 L CB 2.040 44.132 42.059 0.055 0.000 1.268 323 L HN 0.719 nan 8.230 nan 0.000 0.407 324 E N 2.768 122.988 120.200 0.034 0.000 2.199 324 E HA 0.725 5.076 4.350 0.001 0.000 0.269 324 E C -1.171 175.440 176.600 0.019 0.000 0.899 324 E CA -0.658 55.761 56.400 0.031 0.000 0.772 324 E CB 2.299 32.007 29.700 0.013 0.000 1.155 324 E HN 0.659 nan 8.360 nan 0.000 0.408 325 T N 0.876 115.441 114.554 0.018 0.000 2.733 325 T HA 0.304 4.654 4.350 0.001 0.000 0.312 325 T C -1.202 173.488 174.700 -0.016 0.000 1.590 325 T CA -0.711 61.404 62.100 0.026 0.000 1.005 325 T CB 1.042 69.995 68.868 0.143 0.000 1.528 325 T HN 0.371 nan 8.240 nan 0.000 0.496 326 R N 1.108 121.591 120.500 -0.029 0.000 2.580 326 R HA 0.330 4.670 4.340 0.001 0.000 0.267 326 R C 1.697 177.950 176.300 -0.078 0.000 1.125 326 R CA 0.012 56.070 56.100 -0.071 0.000 1.188 326 R CB 0.204 30.457 30.300 -0.079 0.000 1.155 326 R HN 0.828 nan 8.270 nan 0.000 0.586 327 N N -0.413 118.239 118.700 -0.080 0.000 2.550 327 N HA -0.097 4.644 4.740 0.001 0.000 0.186 327 N C 1.020 176.459 175.510 -0.119 0.000 1.110 327 N CA 0.187 53.192 53.050 -0.075 0.000 0.912 327 N CB -0.016 38.447 38.487 -0.040 0.000 0.968 327 N HN 0.146 nan 8.380 nan 0.000 0.448 328 V N 1.453 121.277 119.914 -0.150 0.000 2.546 328 V HA -0.257 3.864 4.120 0.001 0.000 0.254 328 V C 2.369 178.239 176.094 -0.372 0.000 1.076 328 V CA 1.290 63.473 62.300 -0.195 0.000 1.087 328 V CB -0.727 31.012 31.823 -0.141 0.000 0.674 328 V HN 0.380 nan 8.190 nan 0.000 0.470 329 I N 0.787 121.030 120.570 -0.545 0.000 2.285 329 I HA -0.132 4.039 4.170 0.001 0.000 0.253 329 I C 1.337 177.313 176.117 -0.235 0.000 1.104 329 I CA 1.481 62.452 61.300 -0.549 0.000 1.372 329 I CB -0.788 37.066 38.000 -0.244 0.000 1.057 329 I HN 0.502 nan 8.210 nan 0.000 0.431 330 G N -0.183 108.526 108.800 -0.152 0.000 2.916 330 G HA2 -0.307 3.654 3.960 0.001 0.000 0.533 330 G HA3 -0.307 3.654 3.960 0.001 0.000 0.533 330 G C 0.413 175.291 174.900 -0.037 0.000 1.516 330 G CA 0.045 45.100 45.100 -0.074 0.000 0.944 330 G HN 0.360 nan 8.290 nan 0.000 0.555 331 D N -0.037 120.353 120.400 -0.017 0.000 2.144 331 D HA -0.103 4.537 4.640 0.001 0.000 0.199 331 D C 2.393 178.696 176.300 0.005 0.000 0.984 331 D CA 1.377 55.377 54.000 -0.001 0.000 0.834 331 D CB 0.005 40.807 40.800 0.004 0.000 0.955 331 D HN 0.514 nan 8.370 nan 0.000 0.465 332 R N 0.524 121.026 120.500 0.002 0.000 2.073 332 R HA -0.110 4.230 4.340 0.001 0.000 0.234 332 R C 2.370 178.685 176.300 0.025 0.000 1.134 332 R CA 1.733 57.842 56.100 0.014 0.000 0.952 332 R CB -0.493 29.815 30.300 0.013 0.000 0.850 332 R HN 0.148 nan 8.270 nan 0.000 0.433 333 G N 0.708 109.516 108.800 0.013 0.000 2.418 333 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 333 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 333 G C 1.426 176.353 174.900 0.046 0.000 1.158 333 G CA 0.769 45.889 45.100 0.033 0.000 0.771 333 G HN 0.247 nan 8.290 nan 0.000 0.545 334 L N -0.016 121.224 121.223 0.028 0.000 2.083 334 L HA -0.073 4.267 4.340 0.001 0.000 0.209 334 L C 2.846 179.741 176.870 0.041 0.000 1.083 334 L CA 1.232 56.094 54.840 0.036 0.000 0.752 334 L CB -0.432 41.644 42.059 0.027 0.000 0.899 334 L HN 0.299 nan 8.230 nan 0.000 0.433 335 E N -0.316 119.907 120.200 0.037 0.000 2.077 335 E HA -0.191 4.160 4.350 0.001 0.000 0.193 335 E C 2.254 178.895 176.600 0.068 0.000 0.989 335 E CA 1.362 57.783 56.400 0.036 0.000 0.800 335 E CB -0.020 29.697 29.700 0.029 0.000 0.746 335 E HN 0.264 nan 8.360 nan 0.000 0.452 336 V N 1.135 121.112 119.914 0.105 0.000 2.295 336 V HA -0.248 3.872 4.120 0.001 0.000 0.246 336 V C 2.290 178.524 176.094 0.234 0.000 1.049 336 V CA 1.405 63.826 62.300 0.202 0.000 1.024 336 V CB -0.415 31.492 31.823 0.141 0.000 0.648 336 V HN 0.244 nan 8.190 nan 0.000 0.447 337 L N 0.789 122.095 121.223 0.137 0.000 2.131 337 L HA -0.089 4.252 4.340 0.001 0.000 0.210 337 L C 2.445 179.368 176.870 0.088 0.000 1.092 337 L CA 2.090 57.000 54.840 0.116 0.000 0.759 337 L CB -0.857 41.252 42.059 0.084 0.000 0.903 337 L HN 0.248 nan 8.230 nan 0.000 0.435 338 A N -0.833 122.020 122.820 0.055 0.000 1.978 338 A HA -0.241 4.080 4.320 0.001 0.000 0.220 338 A C 2.154 179.718 177.584 -0.033 0.000 1.170 338 A CA 1.927 53.968 52.037 0.006 0.000 0.636 338 A CB -0.426 18.567 19.000 -0.012 0.000 0.810 338 A HN 0.739 nan 8.150 nan 0.000 0.448 339 Q N -3.422 116.339 119.800 -0.065 0.000 2.280 339 Q HA 0.126 4.467 4.340 0.001 0.000 0.244 339 Q C 1.270 177.108 176.000 -0.270 0.000 0.847 339 Q CA 0.107 55.796 55.803 -0.190 0.000 0.945 339 Q CB -0.142 28.419 28.738 -0.295 0.000 1.115 339 Q HN 0.616 nan 8.270 nan 0.000 0.513 340 Y N 0.791 121.086 120.300 -0.009 0.000 2.365 340 Y HA 0.129 4.680 4.550 0.001 0.000 0.293 340 Y C 1.000 176.897 175.900 -0.005 0.000 1.119 340 Y CA 0.247 58.341 58.100 -0.009 0.000 1.203 340 Y CB 0.778 39.230 38.460 -0.012 0.000 1.026 340 Y HN 0.167 nan 8.280 nan 0.000 0.549 341 C N 2.093 121.475 119.300 0.137 0.000 2.288 341 C HA 0.292 4.753 4.460 0.001 0.000 0.328 341 C C 1.208 176.228 174.990 0.050 0.000 1.071 341 C CA -1.337 57.731 59.018 0.085 0.000 1.594 341 C CB -0.322 27.468 27.740 0.082 0.000 1.700 341 C HN 0.295 nan 8.230 nan 0.000 0.436 342 K N 0.900 121.320 120.400 0.033 0.000 2.366 342 K HA -0.027 4.293 4.320 0.001 0.000 0.198 342 K C 1.521 178.138 176.600 0.028 0.000 1.044 342 K CA 0.911 57.210 56.287 0.019 0.000 0.973 342 K CB 0.206 32.708 32.500 0.004 0.000 0.767 342 K HN 0.664 nan 8.250 nan 0.000 0.475 343 Q N 0.449 120.270 119.800 0.034 0.000 2.403 343 Q HA 0.055 4.396 4.340 0.001 0.000 0.203 343 Q C 0.494 176.520 176.000 0.043 0.000 0.932 343 Q CA -0.216 55.609 55.803 0.036 0.000 0.945 343 Q CB -0.438 28.319 28.738 0.032 0.000 1.045 343 Q HN 0.089 nan 8.270 nan 0.000 0.511 344 L N 2.452 123.705 121.223 0.049 0.000 2.601 344 L HA -0.117 4.223 4.340 0.001 0.000 0.277 344 L C 1.010 177.921 176.870 0.069 0.000 1.219 344 L CA 0.903 55.778 54.840 0.058 0.000 0.915 344 L CB 0.481 42.579 42.059 0.064 0.000 1.160 344 L HN -0.067 nan 8.230 nan 0.000 0.494 345 K N 4.692 125.135 120.400 0.072 0.000 2.387 345 K HA 0.246 4.567 4.320 0.001 0.000 0.197 345 K C -0.109 176.566 176.600 0.125 0.000 1.127 345 K CA 0.384 56.723 56.287 0.087 0.000 0.950 345 K CB 0.616 33.155 32.500 0.065 0.000 1.017 345 K HN 0.566 nan 8.250 nan 0.000 0.519 346 R N 0.837 121.409 120.500 0.120 0.000 2.574 346 R HA 0.466 4.807 4.340 0.001 0.000 0.288 346 R C -1.391 175.016 176.300 0.179 0.000 1.004 346 R CA -0.767 55.446 56.100 0.188 0.000 0.895 346 R CB 1.823 32.164 30.300 0.068 0.000 1.191 346 R HN -0.120 nan 8.270 nan 0.000 0.444 347 L N 1.912 123.291 121.223 0.260 0.000 2.409 347 L HA 0.552 4.892 4.340 0.001 0.000 0.272 347 L C -1.215 175.787 176.870 0.220 0.000 0.980 347 L CA -0.456 54.493 54.840 0.181 0.000 0.826 347 L CB 1.874 44.005 42.059 0.120 0.000 1.268 347 L HN 0.695 nan 8.230 nan 0.000 0.407 348 R N 6.050 126.659 120.500 0.181 0.000 2.476 348 R HA 0.637 4.977 4.340 0.001 0.000 0.305 348 R C -1.595 174.765 176.300 0.100 0.000 0.965 348 R CA -0.643 55.564 56.100 0.178 0.000 0.867 348 R CB 1.208 31.649 30.300 0.234 0.000 1.176 348 R HN 0.693 nan 8.270 nan 0.000 0.447 349 I N 4.434 125.056 120.570 0.086 0.000 2.412 349 I HA 0.258 4.428 4.170 0.001 0.000 0.279 349 I C 0.376 176.565 176.117 0.119 0.000 1.063 349 I CA -0.536 60.805 61.300 0.069 0.000 1.193 349 I CB 0.892 38.922 38.000 0.049 0.000 1.370 349 I HN 0.595 nan 8.210 nan 0.000 0.479 350 E N 4.733 124.960 120.200 0.044 0.000 2.397 350 E HA 0.160 4.511 4.350 0.001 0.000 0.254 350 E C 0.321 176.801 176.600 -0.201 0.000 1.231 350 E CA -0.390 55.980 56.400 -0.050 0.000 0.954 350 E CB 1.258 30.886 29.700 -0.119 0.000 1.024 350 E HN 0.518 nan 8.360 nan 0.000 0.481 351 R N -0.641 119.537 120.500 -0.536 0.000 2.349 351 R HA 0.523 4.863 4.340 0.001 0.000 0.299 351 R C 0.376 176.523 176.300 -0.254 0.000 1.027 351 R CA -0.372 55.467 56.100 -0.435 0.000 0.958 351 R CB 0.953 30.839 30.300 -0.689 0.000 1.047 351 R HN 0.425 nan 8.270 nan 0.000 0.468 352 G N 1.231 109.939 108.800 -0.153 0.000 2.543 352 G HA2 0.445 4.406 3.960 0.001 0.000 0.267 352 G HA3 0.445 4.406 3.960 0.001 0.000 0.267 352 G C -0.711 174.144 174.900 -0.075 0.000 1.406 352 G CA -0.723 44.317 45.100 -0.100 0.000 1.048 352 G HN 0.849 nan 8.290 nan 0.000 0.548 353 A N -0.115 122.681 122.820 -0.041 0.000 2.473 353 A HA 0.322 4.643 4.320 0.001 0.000 0.282 353 A C 0.427 177.996 177.584 -0.025 0.000 1.163 353 A CA 0.002 52.025 52.037 -0.024 0.000 0.827 353 A CB -0.141 18.857 19.000 -0.004 0.000 1.098 353 A HN 0.530 nan 8.150 nan 0.000 0.515 354 D N 2.059 122.443 120.400 -0.027 0.000 2.525 354 D HA 0.088 4.729 4.640 0.001 0.000 0.229 354 D C 0.833 177.126 176.300 -0.012 0.000 1.202 354 D CA 0.240 54.226 54.000 -0.023 0.000 0.828 354 D CB 0.549 41.330 40.800 -0.032 0.000 1.008 354 D HN 0.800 nan 8.370 nan 0.000 0.493 355 E N -0.228 119.967 120.200 -0.007 0.000 2.110 355 E HA 0.054 4.404 4.350 0.001 0.000 0.194 355 E C 0.214 176.814 176.600 -0.001 0.000 0.944 355 E CA 0.117 56.516 56.400 -0.002 0.000 0.899 355 E CB 0.330 30.030 29.700 0.001 0.000 0.907 355 E HN 0.005 nan 8.360 nan 0.000 0.473 356 Q N 1.249 121.050 119.800 0.000 0.000 2.673 356 Q HA 0.336 4.676 4.340 0.001 0.000 0.224 356 Q C -0.041 175.960 176.000 0.001 0.000 1.226 356 Q CA -0.028 55.776 55.803 0.002 0.000 1.019 356 Q CB 0.624 29.365 28.738 0.004 0.000 1.312 356 Q HN 0.421 nan 8.270 nan 0.000 0.566 357 G N 2.679 111.479 108.800 -0.001 0.000 2.880 357 G HA2 -0.236 3.725 3.960 0.001 0.000 0.686 357 G HA3 -0.236 3.725 3.960 0.001 0.000 0.686 357 G C 0.349 175.247 174.900 -0.004 0.000 1.505 357 G CA -0.782 44.318 45.100 -0.002 0.000 1.057 357 G HN 0.517 nan 8.290 nan 0.000 0.599 358 M N 1.588 121.183 119.600 -0.007 0.000 3.235 358 M HA 0.059 4.540 4.480 0.001 0.000 0.184 358 M C 1.484 177.776 176.300 -0.014 0.000 1.325 358 M CA 1.559 56.850 55.300 -0.013 0.000 1.374 358 M CB -1.868 30.722 32.600 -0.016 0.000 1.620 358 M HN 0.953 nan 8.290 nan 0.000 0.429 359 E N -0.048 120.148 120.200 -0.006 0.000 4.924 359 E HA -0.255 4.096 4.350 0.001 0.000 0.229 359 E C -0.294 176.309 176.600 0.005 0.000 0.912 359 E CA 2.065 58.465 56.400 0.001 0.000 1.857 359 E CB -0.591 29.108 29.700 -0.002 0.000 1.787 359 E HN 0.778 nan 8.360 nan 0.000 0.427 360 D N -1.381 119.018 120.400 -0.001 0.000 2.738 360 D HA 0.205 4.846 4.640 0.001 0.000 0.308 360 D C -0.334 175.965 176.300 -0.002 0.000 1.311 360 D CA -0.586 53.415 54.000 0.003 0.000 0.799 360 D CB 0.193 40.998 40.800 0.009 0.000 1.332 360 D HN -0.060 nan 8.370 nan 0.000 0.441 361 E N -0.640 119.561 120.200 0.001 0.000 2.301 361 E HA 0.129 4.480 4.350 0.001 0.000 0.195 361 E C -0.100 176.499 176.600 -0.002 0.000 1.171 361 E CA 0.492 56.891 56.400 -0.000 0.000 1.142 361 E CB -0.161 29.540 29.700 0.003 0.000 1.218 361 E HN 0.454 nan 8.360 nan 0.000 0.448 362 E N -2.071 118.125 120.200 -0.008 0.000 2.633 362 E HA 0.134 4.484 4.350 0.001 0.000 0.222 362 E C 0.879 177.463 176.600 -0.027 0.000 0.899 362 E CA 0.229 56.621 56.400 -0.012 0.000 1.292 362 E CB 0.805 30.500 29.700 -0.009 0.000 1.257 362 E HN 0.167 nan 8.360 nan 0.000 0.626 363 G N 1.968 110.749 108.800 -0.031 0.000 3.325 363 G HA2 0.277 4.237 3.960 0.001 0.000 0.242 363 G HA3 0.277 4.237 3.960 0.001 0.000 0.242 363 G C -0.283 174.595 174.900 -0.037 0.000 1.120 363 G CA 0.259 45.331 45.100 -0.048 0.000 1.778 363 G HN -0.122 nan 8.290 nan 0.000 0.610 364 L N 0.214 121.420 121.223 -0.028 0.000 2.410 364 L HA 0.511 4.852 4.340 0.001 0.000 0.270 364 L C 0.012 176.873 176.870 -0.014 0.000 0.983 364 L CA -1.080 53.750 54.840 -0.016 0.000 0.822 364 L CB 2.267 44.321 42.059 -0.008 0.000 1.285 364 L HN 0.024 nan 8.230 nan 0.000 0.409 365 V N 0.730 120.639 119.914 -0.007 0.000 2.630 365 V HA 1.033 5.154 4.120 0.001 0.000 0.305 365 V C -0.114 175.986 176.094 0.010 0.000 1.046 365 V CA 0.137 62.437 62.300 0.000 0.000 0.934 365 V CB 1.809 33.633 31.823 0.002 0.000 1.003 365 V HN 0.971 nan 8.190 nan 0.000 0.451 366 S N 2.500 118.209 115.700 0.015 0.000 2.790 366 S HA 0.428 4.899 4.470 0.001 0.000 0.292 366 S C 0.508 175.126 174.600 0.031 0.000 1.197 366 S CA -0.172 58.040 58.200 0.020 0.000 0.851 366 S CB 1.409 64.618 63.200 0.015 0.000 1.217 366 S HN 0.748 nan 8.310 nan 0.000 0.526 367 Q N 0.734 120.555 119.800 0.034 0.000 2.156 367 Q HA -0.140 4.201 4.340 0.001 0.000 0.211 367 Q C 2.121 178.144 176.000 0.038 0.000 0.995 367 Q CA 2.369 58.197 55.803 0.043 0.000 0.877 367 Q CB -0.479 28.282 28.738 0.039 0.000 0.920 367 Q HN 0.693 nan 8.270 nan 0.000 0.416 368 R N 0.060 120.577 120.500 0.028 0.000 2.080 368 R HA -0.141 4.199 4.340 0.001 0.000 0.236 368 R C 2.304 178.618 176.300 0.022 0.000 1.137 368 R CA 1.767 57.880 56.100 0.022 0.000 0.943 368 R CB -0.774 29.535 30.300 0.016 0.000 0.846 368 R HN 0.400 nan 8.270 nan 0.000 0.431 369 G N 0.762 109.576 108.800 0.024 0.000 2.421 369 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 369 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 369 G C 1.490 176.411 174.900 0.036 0.000 1.171 369 G CA 0.777 45.892 45.100 0.025 0.000 0.775 369 G HN 0.240 nan 8.290 nan 0.000 0.543 370 L N 0.011 121.264 121.223 0.050 0.000 2.012 370 L HA -0.061 4.280 4.340 0.001 0.000 0.210 370 L C 2.742 179.653 176.870 0.068 0.000 1.073 370 L CA 1.132 56.016 54.840 0.075 0.000 0.748 370 L CB -0.388 41.730 42.059 0.099 0.000 0.891 370 L HN 0.252 nan 8.230 nan 0.000 0.431 371 I N -0.357 120.246 120.570 0.055 0.000 2.315 371 I HA -0.266 3.904 4.170 0.001 0.000 0.248 371 I C 2.626 178.744 176.117 0.003 0.000 1.117 371 I CA 1.256 62.583 61.300 0.045 0.000 1.404 371 I CB -0.038 37.991 38.000 0.048 0.000 1.071 371 I HN 0.192 nan 8.210 nan 0.000 0.419 372 A N 0.629 123.449 122.820 -0.001 0.000 1.883 372 A HA -0.250 4.070 4.320 0.001 0.000 0.217 372 A C 2.212 179.777 177.584 -0.032 0.000 1.186 372 A CA 2.020 54.042 52.037 -0.025 0.000 0.624 372 A CB -1.088 17.908 19.000 -0.006 0.000 0.822 372 A HN 0.506 nan 8.150 nan 0.000 0.444 373 L N -0.191 121.035 121.223 0.004 0.000 2.017 373 L HA -0.093 4.247 4.340 0.001 0.000 0.208 373 L C 2.742 179.617 176.870 0.007 0.000 1.073 373 L CA 2.296 57.147 54.840 0.018 0.000 0.745 373 L CB -0.879 41.210 42.059 0.050 0.000 0.894 373 L HN 0.371 nan 8.230 nan 0.000 0.432 374 A N -1.242 121.591 122.820 0.023 0.000 1.948 374 A HA -0.299 4.021 4.320 0.001 0.000 0.220 374 A C 2.196 179.721 177.584 -0.098 0.000 1.177 374 A CA 2.175 54.236 52.037 0.040 0.000 0.636 374 A CB -0.575 18.492 19.000 0.113 0.000 0.815 374 A HN 0.707 nan 8.150 nan 0.000 0.449 375 Q N -1.392 118.252 119.800 -0.261 0.000 2.212 375 Q HA 0.019 4.360 4.340 0.001 0.000 0.199 375 Q C 2.216 178.045 176.000 -0.285 0.000 0.950 375 Q CA 0.861 56.339 55.803 -0.542 0.000 0.863 375 Q CB -0.198 28.227 28.738 -0.522 0.000 0.944 375 Q HN 0.668 nan 8.270 nan 0.000 0.465 376 G N 0.081 108.792 108.800 -0.148 0.000 2.408 376 G HA2 -0.123 3.838 3.960 0.001 0.000 0.213 376 G HA3 -0.123 3.838 3.960 0.001 0.000 0.213 376 G C 0.571 175.446 174.900 -0.041 0.000 1.177 376 G CA 0.255 45.301 45.100 -0.089 0.000 0.802 376 G HN 0.324 nan 8.290 nan 0.000 0.533 377 C N 1.866 121.160 119.300 -0.010 0.000 2.478 377 C HA 0.401 4.861 4.460 0.001 0.000 0.471 377 C C 1.456 176.472 174.990 0.044 0.000 1.146 377 C CA -0.711 58.322 59.018 0.025 0.000 1.532 377 C CB -0.826 26.941 27.740 0.045 0.000 1.622 377 C HN 0.497 nan 8.230 nan 0.000 0.568 378 Q N 0.114 119.937 119.800 0.039 0.000 2.482 378 Q HA -0.053 4.288 4.340 0.001 0.000 0.209 378 Q C 1.453 177.497 176.000 0.073 0.000 0.961 378 Q CA 0.775 56.620 55.803 0.069 0.000 0.945 378 Q CB 0.316 29.101 28.738 0.078 0.000 1.012 378 Q HN 0.759 nan 8.270 nan 0.000 0.515 379 E N 0.293 120.531 120.200 0.064 0.000 2.474 379 E HA 0.069 4.420 4.350 0.001 0.000 0.194 379 E C -0.115 176.533 176.600 0.080 0.000 1.041 379 E CA -0.242 56.197 56.400 0.065 0.000 0.874 379 E CB 0.342 30.074 29.700 0.053 0.000 0.914 379 E HN 0.296 nan 8.360 nan 0.000 0.498 380 L N 1.881 123.160 121.223 0.093 0.000 2.678 380 L HA -0.148 4.192 4.340 0.001 0.000 0.285 380 L C 1.127 178.076 176.870 0.133 0.000 1.233 380 L CA 0.816 55.726 54.840 0.117 0.000 0.920 380 L CB 0.274 42.410 42.059 0.128 0.000 1.176 380 L HN 0.184 nan 8.230 nan 0.000 0.495 381 E N 2.583 122.875 120.200 0.153 0.000 2.372 381 E HA 0.022 4.372 4.350 0.001 0.000 0.201 381 E C -0.813 175.932 176.600 0.241 0.000 0.938 381 E CA 0.083 56.585 56.400 0.169 0.000 0.944 381 E CB 0.752 30.536 29.700 0.141 0.000 0.937 381 E HN 0.493 nan 8.360 nan 0.000 0.495 382 Y N 1.232 121.594 120.300 0.104 0.000 2.354 382 Y HA 0.479 5.030 4.550 0.001 0.000 0.330 382 Y C -1.400 174.557 175.900 0.095 0.000 1.011 382 Y CA -0.917 57.246 58.100 0.105 0.000 1.099 382 Y CB 1.286 39.789 38.460 0.072 0.000 1.179 382 Y HN -0.203 nan 8.280 nan 0.000 0.442 383 M N 6.304 125.748 119.600 -0.260 0.000 2.165 383 M HA 0.817 5.298 4.480 0.001 0.000 0.283 383 M C -2.023 173.966 176.300 -0.518 0.000 0.978 383 M CA -0.498 54.683 55.300 -0.198 0.000 0.948 383 M CB 1.307 33.930 32.600 0.039 0.000 1.599 383 M HN 0.854 nan 8.290 nan 0.000 0.450 384 A N 4.554 127.129 122.820 -0.409 0.000 2.374 384 A HA 0.852 5.173 4.320 0.001 0.000 0.305 384 A C -1.690 175.777 177.584 -0.196 0.000 1.053 384 A CA -0.570 51.230 52.037 -0.395 0.000 0.726 384 A CB 1.843 20.661 19.000 -0.303 0.000 1.229 384 A HN 0.612 nan 8.150 nan 0.000 0.431 385 V N 2.796 122.549 119.914 -0.269 0.000 2.711 385 V HA 0.295 4.416 4.120 0.001 0.000 0.304 385 V C -1.713 174.276 176.094 -0.176 0.000 1.097 385 V CA -0.400 61.816 62.300 -0.140 0.000 0.906 385 V CB 1.780 33.516 31.823 -0.145 0.000 1.015 385 V HN 0.811 nan 8.190 nan 0.000 0.427 386 Y N 3.669 123.908 120.300 -0.100 0.000 2.425 386 Y HA 0.564 5.115 4.550 0.001 0.000 0.347 386 Y C 0.223 176.082 175.900 -0.069 0.000 0.976 386 Y CA -0.193 57.854 58.100 -0.089 0.000 1.190 386 Y CB 1.743 40.158 38.460 -0.075 0.000 1.136 386 Y HN 0.414 nan 8.280 nan 0.000 0.517 387 V N 2.901 122.835 119.914 0.032 0.000 2.581 387 V HA 0.271 4.392 4.120 0.001 0.000 0.303 387 V C 0.459 176.563 176.094 0.017 0.000 1.041 387 V CA -0.061 62.247 62.300 0.014 0.000 0.907 387 V CB 2.134 33.950 31.823 -0.013 0.000 0.994 387 V HN 0.888 nan 8.190 nan 0.000 0.442 388 S N 3.517 119.225 115.700 0.015 0.000 2.501 388 S HA 0.127 4.598 4.470 0.001 0.000 0.220 388 S C 0.016 174.618 174.600 0.002 0.000 0.997 388 S CA 0.560 58.765 58.200 0.009 0.000 0.919 388 S CB -0.105 63.099 63.200 0.006 0.000 0.778 388 S HN 0.900 nan 8.310 nan 0.000 0.523 389 D N -0.241 120.161 120.400 0.004 0.000 2.787 389 D HA 0.411 5.051 4.640 0.001 0.000 0.215 389 D C -1.475 174.833 176.300 0.013 0.000 1.246 389 D CA -0.630 53.373 54.000 0.005 0.000 0.798 389 D CB 0.816 41.621 40.800 0.007 0.000 1.649 389 D HN -0.012 nan 8.370 nan 0.000 0.507 390 I N 0.045 120.625 120.570 0.016 0.000 3.108 390 I HA 0.856 5.027 4.170 0.001 0.000 0.312 390 I C -0.149 175.994 176.117 0.044 0.000 1.095 390 I CA -0.804 60.518 61.300 0.036 0.000 1.000 390 I CB 1.898 39.925 38.000 0.044 0.000 1.229 390 I HN 0.261 nan 8.210 nan 0.000 0.454 391 T N 0.083 114.673 114.554 0.060 0.000 2.916 391 T HA 0.345 4.696 4.350 0.001 0.000 0.305 391 T C 0.513 175.257 174.700 0.075 0.000 1.119 391 T CA -0.550 61.585 62.100 0.059 0.000 1.008 391 T CB 1.108 70.004 68.868 0.047 0.000 1.129 391 T HN 0.650 nan 8.240 nan 0.000 0.480 392 N N 1.738 120.483 118.700 0.074 0.000 2.184 392 N HA -0.151 4.590 4.740 0.001 0.000 0.190 392 N C 1.518 177.061 175.510 0.056 0.000 1.011 392 N CA 1.332 54.427 53.050 0.075 0.000 0.867 392 N CB 0.089 38.614 38.487 0.062 0.000 0.993 392 N HN 0.740 nan 8.380 nan 0.000 0.433 393 E N 0.792 121.021 120.200 0.049 0.000 2.072 393 E HA -0.132 4.218 4.350 0.001 0.000 0.191 393 E C 1.908 178.540 176.600 0.054 0.000 0.985 393 E CA 1.329 57.754 56.400 0.042 0.000 0.801 393 E CB 0.164 29.887 29.700 0.040 0.000 0.750 393 E HN 0.399 nan 8.360 nan 0.000 0.452 394 S N 1.204 116.943 115.700 0.066 0.000 2.356 394 S HA -0.165 4.306 4.470 0.001 0.000 0.223 394 S C 2.207 176.857 174.600 0.084 0.000 1.032 394 S CA 1.018 59.267 58.200 0.080 0.000 1.005 394 S CB -0.802 62.450 63.200 0.087 0.000 0.867 394 S HN 0.266 nan 8.310 nan 0.000 0.449 395 L N 1.453 122.729 121.223 0.089 0.000 2.043 395 L HA -0.190 4.150 4.340 0.001 0.000 0.212 395 L C 2.921 179.792 176.870 0.002 0.000 1.075 395 L CA 1.931 56.806 54.840 0.058 0.000 0.752 395 L CB -0.869 41.250 42.059 0.099 0.000 0.891 395 L HN 0.398 nan 8.230 nan 0.000 0.432 396 E N 0.093 120.297 120.200 0.007 0.000 2.085 396 E HA -0.199 4.152 4.350 0.001 0.000 0.194 396 E C 2.295 178.887 176.600 -0.014 0.000 0.994 396 E CA 1.736 58.120 56.400 -0.026 0.000 0.801 396 E CB -0.039 29.649 29.700 -0.020 0.000 0.743 396 E HN 0.580 nan 8.360 nan 0.000 0.453 397 S N 0.749 116.478 115.700 0.049 0.000 2.387 397 S HA -0.073 4.398 4.470 0.001 0.000 0.226 397 S C 2.047 176.742 174.600 0.158 0.000 1.026 397 S CA 0.420 58.703 58.200 0.138 0.000 0.972 397 S CB -0.234 63.096 63.200 0.216 0.000 0.814 397 S HN 0.128 nan 8.310 nan 0.000 0.477 398 I N 2.822 123.446 120.570 0.090 0.000 2.118 398 I HA -0.169 4.001 4.170 0.001 0.000 0.241 398 I C 2.837 178.957 176.117 0.004 0.000 1.070 398 I CA 1.870 63.204 61.300 0.057 0.000 1.327 398 I CB -1.953 36.028 38.000 -0.032 0.000 1.034 398 I HN 0.485 nan 8.210 nan 0.000 0.405 399 G N -0.456 108.308 108.800 -0.060 0.000 2.448 399 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 399 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 399 G C 1.771 176.610 174.900 -0.101 0.000 1.127 399 G CA 1.417 46.457 45.100 -0.099 0.000 0.766 399 G HN 0.428 nan 8.290 nan 0.000 0.552 400 T N -1.823 112.662 114.554 -0.115 0.000 3.010 400 T HA 0.091 4.441 4.350 0.001 0.000 0.252 400 T C 2.000 176.529 174.700 -0.285 0.000 1.047 400 T CA 0.716 62.668 62.100 -0.247 0.000 1.140 400 T CB -0.125 68.522 68.868 -0.368 0.000 0.885 400 T HN 0.345 nan 8.240 nan 0.000 0.464 401 Y N 1.082 121.373 120.300 -0.015 0.000 2.301 401 Y HA 0.354 4.904 4.550 0.001 0.000 0.295 401 Y C 0.854 176.758 175.900 0.006 0.000 1.126 401 Y CA -0.058 58.041 58.100 -0.002 0.000 1.154 401 Y CB 0.244 38.707 38.460 0.005 0.000 1.075 401 Y HN 0.166 nan 8.280 nan 0.000 0.534 402 L N 0.126 121.453 121.223 0.173 0.000 2.475 402 L HA 0.480 4.821 4.340 0.001 0.000 0.253 402 L C -0.389 176.526 176.870 0.076 0.000 1.137 402 L CA -0.862 54.050 54.840 0.120 0.000 1.058 402 L CB -0.091 42.044 42.059 0.126 0.000 1.382 402 L HN -0.255 nan 8.230 nan 0.000 0.416 403 K N 1.728 122.161 120.400 0.055 0.000 2.343 403 K HA 0.093 4.414 4.320 0.001 0.000 0.250 403 K C 1.044 177.677 176.600 0.054 0.000 1.087 403 K CA 0.670 56.977 56.287 0.035 0.000 0.853 403 K CB 0.007 32.520 32.500 0.022 0.000 1.133 403 K HN 0.815 nan 8.250 nan 0.000 0.509 404 N N -0.635 118.094 118.700 0.049 0.000 2.666 404 N HA -0.269 4.471 4.740 0.001 0.000 0.249 404 N C -0.954 174.609 175.510 0.089 0.000 1.063 404 N CA 0.787 53.875 53.050 0.063 0.000 0.750 404 N CB -1.738 36.783 38.487 0.057 0.000 0.992 404 N HN 0.431 nan 8.380 nan 0.000 0.542 405 L N -0.491 120.790 121.223 0.098 0.000 2.367 405 L HA 0.127 4.467 4.340 0.001 0.000 0.275 405 L C 0.808 177.765 176.870 0.146 0.000 1.129 405 L CA -0.431 54.492 54.840 0.138 0.000 0.839 405 L CB 0.630 42.778 42.059 0.148 0.000 1.133 405 L HN 0.430 nan 8.230 nan 0.000 0.453 406 C N 1.766 121.171 119.300 0.175 0.000 2.935 406 C HA 0.240 4.701 4.460 0.001 0.000 0.308 406 C C 0.371 175.499 174.990 0.230 0.000 1.263 406 C CA -0.169 58.957 59.018 0.180 0.000 1.738 406 C CB -0.079 27.760 27.740 0.164 0.000 2.237 406 C HN 0.741 nan 8.230 nan 0.000 0.600 407 D N -0.020 120.528 120.400 0.246 0.000 2.763 407 D HA 0.341 4.982 4.640 0.001 0.000 0.235 407 D C -1.715 174.677 176.300 0.154 0.000 1.334 407 D CA -0.089 54.058 54.000 0.245 0.000 0.950 407 D CB 1.071 42.042 40.800 0.285 0.000 1.433 407 D HN 0.184 nan 8.370 nan 0.000 0.580 408 F N 4.086 124.096 119.950 0.100 0.000 2.539 408 F HA 0.560 5.088 4.527 0.001 0.000 0.318 408 F C -1.013 174.779 175.800 -0.013 0.000 1.135 408 F CA -0.563 57.461 58.000 0.039 0.000 0.915 408 F CB 1.099 40.206 39.000 0.179 0.000 1.176 408 F HN 0.163 nan 8.300 nan 0.000 0.440 409 R N 7.005 127.019 120.500 -0.811 0.000 2.532 409 R HA 0.631 4.972 4.340 0.001 0.000 0.297 409 R C -2.039 173.762 176.300 -0.831 0.000 0.984 409 R CA -1.087 54.643 56.100 -0.615 0.000 0.884 409 R CB 2.385 32.493 30.300 -0.319 0.000 1.182 409 R HN 0.548 nan 8.270 nan 0.000 0.442 410 L N 3.843 124.714 121.223 -0.588 0.000 2.409 410 L HA 0.564 4.905 4.340 0.001 0.000 0.272 410 L C -1.448 175.165 176.870 -0.430 0.000 0.980 410 L CA -0.756 53.806 54.840 -0.463 0.000 0.826 410 L CB 2.176 44.116 42.059 -0.199 0.000 1.268 410 L HN 0.425 nan 8.230 nan 0.000 0.407 411 V N 5.891 125.533 119.914 -0.454 0.000 2.531 411 V HA 0.398 4.518 4.120 0.001 0.000 0.301 411 V C -0.314 175.654 176.094 -0.210 0.000 1.034 411 V CA -0.827 61.254 62.300 -0.367 0.000 0.865 411 V CB 1.985 33.381 31.823 -0.710 0.000 0.995 411 V HN 0.652 nan 8.190 nan 0.000 0.424 412 L N 4.738 125.896 121.223 -0.110 0.000 2.275 412 L HA 0.631 4.971 4.340 0.001 0.000 0.288 412 L C -0.297 176.581 176.870 0.012 0.000 1.046 412 L CA -0.173 54.635 54.840 -0.053 0.000 0.805 412 L CB 0.398 42.413 42.059 -0.073 0.000 1.193 412 L HN 0.283 nan 8.230 nan 0.000 0.426 413 L N 2.761 124.009 121.223 0.041 0.000 2.489 413 L HA 0.063 4.403 4.340 0.001 0.000 0.285 413 L C 1.083 177.961 176.870 0.013 0.000 1.259 413 L CA 0.636 55.510 54.840 0.057 0.000 0.828 413 L CB -0.162 41.927 42.059 0.049 0.000 1.094 413 L HN 0.730 nan 8.230 nan 0.000 0.524 414 D N -0.042 120.363 120.400 0.008 0.000 2.349 414 D HA 0.015 4.656 4.640 0.001 0.000 0.214 414 D C 1.782 178.070 176.300 -0.020 0.000 1.063 414 D CA 0.045 54.030 54.000 -0.025 0.000 0.847 414 D CB 0.353 41.130 40.800 -0.038 0.000 0.933 414 D HN 0.332 nan 8.370 nan 0.000 0.513 415 R N 1.292 121.787 120.500 -0.008 0.000 2.088 415 R HA -0.083 4.258 4.340 0.001 0.000 0.232 415 R C 0.428 176.721 176.300 -0.011 0.000 1.136 415 R CA 1.137 57.232 56.100 -0.008 0.000 0.926 415 R CB -0.226 30.072 30.300 -0.004 0.000 0.837 415 R HN -0.017 nan 8.270 nan 0.000 0.429 416 E N 1.262 121.456 120.200 -0.011 0.000 2.413 416 E HA -0.073 4.278 4.350 0.001 0.000 0.263 416 E C 0.809 177.399 176.600 -0.016 0.000 1.015 416 E CA 0.193 56.586 56.400 -0.011 0.000 0.916 416 E CB 0.648 30.343 29.700 -0.008 0.000 0.947 416 E HN 0.332 nan 8.360 nan 0.000 0.440 417 E N 2.075 122.267 120.200 -0.013 0.000 2.057 417 E HA -0.012 4.338 4.350 0.001 0.000 0.190 417 E C 0.211 176.802 176.600 -0.014 0.000 0.969 417 E CA 0.811 57.202 56.400 -0.015 0.000 0.812 417 E CB 0.179 29.873 29.700 -0.011 0.000 0.777 417 E HN 0.312 nan 8.360 nan 0.000 0.455 418 R N 0.770 121.264 120.500 -0.009 0.000 2.294 418 R HA 0.424 4.765 4.340 0.001 0.000 0.319 418 R C -0.563 175.734 176.300 -0.004 0.000 0.984 418 R CA -0.509 55.588 56.100 -0.006 0.000 0.861 418 R CB 1.092 31.391 30.300 -0.002 0.000 1.104 418 R HN -0.078 nan 8.270 nan 0.000 0.451 419 I N 2.146 122.713 120.570 -0.004 0.000 2.339 419 I HA 0.125 4.295 4.170 0.001 0.000 0.290 419 I C 1.261 177.383 176.117 0.008 0.000 0.994 419 I CA 0.103 61.404 61.300 0.000 0.000 1.191 419 I CB 1.764 39.762 38.000 -0.004 0.000 1.343 419 I HN 0.678 nan 8.210 nan 0.000 0.458 420 T N 3.665 118.226 114.554 0.012 0.000 2.152 420 T HA -0.268 4.082 4.350 0.001 0.000 0.194 420 T C 0.261 174.972 174.700 0.019 0.000 1.715 420 T CA 2.188 64.298 62.100 0.016 0.000 1.135 420 T CB -0.429 68.450 68.868 0.020 0.000 0.856 420 T HN 0.842 nan 8.240 nan 0.000 0.393 421 D N 0.439 120.855 120.400 0.027 0.000 2.278 421 D HA 0.483 5.123 4.640 0.001 0.000 0.245 421 D C 0.432 176.755 176.300 0.038 0.000 1.052 421 D CA -0.727 53.291 54.000 0.031 0.000 0.834 421 D CB 1.047 41.868 40.800 0.035 0.000 1.194 421 D HN 0.041 nan 8.370 nan 0.000 0.481 422 L N 2.259 123.504 121.223 0.036 0.000 2.276 422 L HA 0.362 4.702 4.340 0.001 0.000 0.194 422 L C -1.825 175.083 176.870 0.063 0.000 1.099 422 L CA 0.127 54.991 54.840 0.041 0.000 0.800 422 L CB -1.325 40.749 42.059 0.025 0.000 0.994 422 L HN 0.440 nan 8.230 nan 0.000 0.475 423 P HA -0.030 nan 4.420 nan 0.000 0.255 423 P C 0.364 177.728 177.300 0.107 0.000 1.173 423 P CA 0.996 64.144 63.100 0.079 0.000 0.780 423 P CB 0.034 31.771 31.700 0.062 0.000 0.758 424 L N 2.307 123.622 121.223 0.152 0.000 2.653 424 L HA 0.019 4.360 4.340 0.001 0.000 0.231 424 L C 1.197 178.181 176.870 0.190 0.000 1.153 424 L CA 0.098 55.054 54.840 0.193 0.000 0.933 424 L CB -0.231 42.010 42.059 0.303 0.000 1.175 424 L HN 0.255 nan 8.230 nan 0.000 0.473 425 D N 0.578 121.085 120.400 0.178 0.000 2.157 425 D HA -0.245 4.396 4.640 0.001 0.000 0.191 425 D C 1.585 178.041 176.300 0.261 0.000 1.004 425 D CA 1.462 55.609 54.000 0.246 0.000 0.854 425 D CB -0.174 40.760 40.800 0.224 0.000 0.936 425 D HN 0.309 nan 8.370 nan 0.000 0.446 426 N N 0.217 119.013 118.700 0.159 0.000 2.409 426 N HA -0.032 4.708 4.740 0.001 0.000 0.179 426 N C 1.909 177.407 175.510 -0.019 0.000 1.032 426 N CA 0.930 54.008 53.050 0.048 0.000 0.898 426 N CB -0.086 38.422 38.487 0.036 0.000 0.971 426 N HN 0.263 nan 8.380 nan 0.000 0.441 427 G N 1.231 110.053 108.800 0.037 0.000 2.404 427 G HA2 -0.132 3.828 3.960 0.001 0.000 0.214 427 G HA3 -0.132 3.828 3.960 0.001 0.000 0.214 427 G C 1.708 176.601 174.900 -0.012 0.000 1.189 427 G CA 0.587 45.703 45.100 0.026 0.000 0.789 427 G HN 0.119 nan 8.290 nan 0.000 0.533 428 V N 1.343 121.267 119.914 0.018 0.000 2.278 428 V HA -0.274 3.846 4.120 0.001 0.000 0.251 428 V C 2.784 178.785 176.094 -0.156 0.000 1.062 428 V CA 2.352 64.592 62.300 -0.099 0.000 1.038 428 V CB -0.632 31.084 31.823 -0.178 0.000 0.646 428 V HN 0.413 nan 8.190 nan 0.000 0.447 429 R N 0.744 121.153 120.500 -0.151 0.000 2.091 429 R HA -0.188 4.152 4.340 0.001 0.000 0.238 429 R C 2.423 178.461 176.300 -0.438 0.000 1.136 429 R CA 2.204 58.087 56.100 -0.362 0.000 0.959 429 R CB -0.317 29.602 30.300 -0.635 0.000 0.856 429 R HN 0.708 nan 8.270 nan 0.000 0.437 430 S N 0.830 116.345 115.700 -0.309 0.000 2.436 430 S HA -0.093 4.378 4.470 0.001 0.000 0.228 430 S C 1.932 176.394 174.600 -0.231 0.000 1.014 430 S CA 0.491 58.525 58.200 -0.278 0.000 0.950 430 S CB -0.312 62.767 63.200 -0.201 0.000 0.784 430 S HN 0.281 nan 8.310 nan 0.000 0.504 431 L N 2.242 123.343 121.223 -0.203 0.000 2.017 431 L HA 0.121 4.462 4.340 0.001 0.000 0.208 431 L C 2.009 178.741 176.870 -0.231 0.000 1.073 431 L CA 1.611 56.325 54.840 -0.209 0.000 0.745 431 L CB -1.204 40.723 42.059 -0.220 0.000 0.894 431 L HN 0.341 nan 8.230 nan 0.000 0.432 432 L N -1.147 119.917 121.223 -0.265 0.000 2.275 432 L HA -0.152 4.189 4.340 0.001 0.000 0.215 432 L C 2.412 179.172 176.870 -0.184 0.000 1.119 432 L CA 0.854 55.542 54.840 -0.253 0.000 0.790 432 L CB -0.298 41.606 42.059 -0.258 0.000 0.919 432 L HN 0.293 nan 8.230 nan 0.000 0.443 433 I N -0.850 119.574 120.570 -0.242 0.000 2.585 433 I HA -0.049 4.121 4.170 0.001 0.000 0.254 433 I C 2.524 178.551 176.117 -0.151 0.000 1.129 433 I CA 0.984 62.150 61.300 -0.224 0.000 1.455 433 I CB -0.468 37.304 38.000 -0.381 0.000 1.111 433 I HN 0.185 nan 8.210 nan 0.000 0.433 434 G N 0.228 108.936 108.800 -0.154 0.000 2.394 434 G HA2 -0.150 3.811 3.960 0.001 0.000 0.215 434 G HA3 -0.150 3.811 3.960 0.001 0.000 0.215 434 G C 0.771 175.623 174.900 -0.080 0.000 1.165 434 G CA 0.201 45.231 45.100 -0.115 0.000 0.784 434 G HN 0.404 nan 8.290 nan 0.000 0.535 435 C N 2.415 121.664 119.300 -0.084 0.000 2.400 435 C HA 0.332 4.793 4.460 0.001 0.000 0.457 435 C C 1.542 176.511 174.990 -0.036 0.000 1.020 435 C CA -0.943 58.047 59.018 -0.045 0.000 1.258 435 C CB -1.113 26.599 27.740 -0.048 0.000 1.532 435 C HN 0.594 nan 8.230 nan 0.000 0.537 436 K N 0.481 120.867 120.400 -0.023 0.000 2.458 436 K HA 0.086 4.407 4.320 0.001 0.000 0.194 436 K C 1.035 177.640 176.600 0.009 0.000 1.024 436 K CA 0.321 56.599 56.287 -0.015 0.000 1.108 436 K CB 0.143 32.635 32.500 -0.015 0.000 0.846 436 K HN 0.501 nan 8.250 nan 0.000 0.518 437 K N 0.818 121.233 120.400 0.025 0.000 2.404 437 K HA 0.113 4.434 4.320 0.001 0.000 0.194 437 K C -0.026 176.615 176.600 0.069 0.000 1.023 437 K CA -0.319 55.995 56.287 0.046 0.000 1.094 437 K CB 0.141 32.673 32.500 0.052 0.000 0.841 437 K HN 0.045 nan 8.250 nan 0.000 0.523 438 L N 1.915 123.178 121.223 0.066 0.000 2.615 438 L HA -0.070 4.270 4.340 0.001 0.000 0.271 438 L C 1.117 178.063 176.870 0.127 0.000 1.183 438 L CA 0.804 55.709 54.840 0.108 0.000 0.933 438 L CB 0.231 42.334 42.059 0.073 0.000 1.199 438 L HN 0.033 nan 8.230 nan 0.000 0.487 439 R N 3.335 123.942 120.500 0.178 0.000 2.250 439 R HA 0.271 4.611 4.340 0.001 0.000 0.194 439 R C -0.110 176.363 176.300 0.288 0.000 0.927 439 R CA 0.023 56.239 56.100 0.193 0.000 1.052 439 R CB 0.532 30.932 30.300 0.167 0.000 1.055 439 R HN 0.534 nan 8.270 nan 0.000 0.537 440 R N 0.234 120.954 120.500 0.367 0.000 2.628 440 R HA 0.355 4.695 4.340 0.001 0.000 0.288 440 R C -1.663 174.971 176.300 0.556 0.000 0.980 440 R CA -0.621 55.821 56.100 0.570 0.000 0.891 440 R CB 2.184 32.862 30.300 0.631 0.000 1.188 440 R HN -0.137 nan 8.270 nan 0.000 0.450 441 F N 1.599 121.671 119.950 0.203 0.000 2.607 441 F HA 0.626 5.154 4.527 0.001 0.000 0.322 441 F C -1.589 174.115 175.800 -0.160 0.000 1.176 441 F CA -0.481 57.578 58.000 0.097 0.000 0.977 441 F CB 1.791 40.843 39.000 0.087 0.000 1.242 441 F HN 0.668 nan 8.300 nan 0.000 0.465 442 A N 5.436 127.921 122.820 -0.558 0.000 2.371 442 A HA 0.822 5.143 4.320 0.001 0.000 0.311 442 A C -2.225 175.069 177.584 -0.484 0.000 1.068 442 A CA -0.498 51.214 52.037 -0.542 0.000 0.744 442 A CB 0.954 19.795 19.000 -0.265 0.000 1.239 442 A HN 0.699 nan 8.150 nan 0.000 0.435 443 F N 2.200 121.850 119.950 -0.499 0.000 2.828 443 F HA 0.463 4.991 4.527 0.001 0.000 0.355 443 F C -1.587 174.167 175.800 -0.077 0.000 1.200 443 F CA -0.359 57.462 58.000 -0.299 0.000 1.062 443 F CB 1.357 40.182 39.000 -0.292 0.000 1.351 443 F HN 0.580 nan 8.300 nan 0.000 0.504 444 Y N 7.129 127.231 120.300 -0.329 0.000 2.363 444 Y HA 0.669 5.219 4.550 0.001 0.000 0.325 444 Y C -1.132 174.659 175.900 -0.182 0.000 0.984 444 Y CA -0.527 57.469 58.100 -0.173 0.000 1.248 444 Y CB 0.758 39.112 38.460 -0.176 0.000 1.116 444 Y HN 0.495 nan 8.280 nan 0.000 0.470 445 L N 3.657 124.809 121.223 -0.118 0.000 2.777 445 L HA 0.653 4.994 4.340 0.001 0.000 0.241 445 L C -0.419 176.374 176.870 -0.129 0.000 1.854 445 L CA -1.406 53.373 54.840 -0.102 0.000 2.070 445 L CB 1.040 43.044 42.059 -0.093 0.000 2.441 445 L HN 0.355 nan 8.230 nan 0.000 0.587 446 R N -0.640 119.775 120.500 -0.142 0.000 2.867 446 R HA 0.222 4.562 4.340 0.001 0.000 0.268 446 R C 0.412 176.644 176.300 -0.114 0.000 1.014 446 R CA -0.592 55.348 56.100 -0.267 0.000 0.946 446 R CB 1.727 31.910 30.300 -0.196 0.000 1.208 446 R HN 0.384 nan 8.270 nan 0.000 0.477 447 Q N 1.049 120.782 119.800 -0.113 0.000 2.062 447 Q HA -0.110 4.230 4.340 0.001 0.000 0.209 447 Q C 1.598 177.600 176.000 0.003 0.000 0.996 447 Q CA 2.601 58.401 55.803 -0.004 0.000 0.859 447 Q CB -0.785 27.951 28.738 -0.003 0.000 0.920 447 Q HN 0.916 nan 8.270 nan 0.000 0.415 448 G N -0.615 108.178 108.800 -0.011 0.000 2.586 448 G HA2 -0.133 3.828 3.960 0.001 0.000 0.215 448 G HA3 -0.133 3.828 3.960 0.001 0.000 0.215 448 G C 1.366 176.282 174.900 0.027 0.000 1.128 448 G CA 0.814 45.918 45.100 0.007 0.000 0.774 448 G HN 0.514 nan 8.290 nan 0.000 0.543 449 G N -0.275 108.542 108.800 0.029 0.000 2.440 449 G HA2 0.086 4.046 3.960 0.001 0.000 0.218 449 G HA3 0.086 4.046 3.960 0.001 0.000 0.218 449 G C 0.379 175.349 174.900 0.117 0.000 1.154 449 G CA 0.745 45.880 45.100 0.059 0.000 0.767 449 G HN 0.453 nan 8.290 nan 0.000 0.552 450 L N -0.027 121.265 121.223 0.116 0.000 2.472 450 L HA 0.547 4.887 4.340 0.001 0.000 0.260 450 L C 0.046 176.965 176.870 0.082 0.000 0.963 450 L CA -0.500 54.420 54.840 0.133 0.000 0.829 450 L CB 2.404 44.583 42.059 0.200 0.000 1.348 450 L HN 0.156 nan 8.230 nan 0.000 0.408 451 T N -1.596 112.991 114.554 0.055 0.000 2.944 451 T HA 0.339 4.689 4.350 0.001 0.000 0.284 451 T C 0.508 175.209 174.700 0.003 0.000 1.010 451 T CA -0.538 61.577 62.100 0.026 0.000 1.025 451 T CB 1.068 69.940 68.868 0.006 0.000 1.079 451 T HN 0.572 nan 8.240 nan 0.000 0.516 452 D N 0.103 120.505 120.400 0.004 0.000 2.239 452 D HA -0.111 4.529 4.640 0.001 0.000 0.202 452 D C 1.807 178.052 176.300 -0.092 0.000 0.993 452 D CA 0.658 54.651 54.000 -0.012 0.000 0.874 452 D CB -0.154 40.646 40.800 -0.001 0.000 0.922 452 D HN 0.423 nan 8.370 nan 0.000 0.464 453 L N 0.321 121.454 121.223 -0.149 0.000 2.072 453 L HA -0.029 4.312 4.340 0.001 0.000 0.205 453 L C 2.135 178.631 176.870 -0.624 0.000 1.079 453 L CA 1.753 56.390 54.840 -0.339 0.000 0.752 453 L CB -0.858 41.032 42.059 -0.282 0.000 0.906 453 L HN 0.085 nan 8.230 nan 0.000 0.436 454 G N 0.047 108.639 108.800 -0.347 0.000 2.402 454 G HA2 -0.264 3.696 3.960 0.001 0.000 0.216 454 G HA3 -0.264 3.696 3.960 0.001 0.000 0.216 454 G C 1.663 176.538 174.900 -0.042 0.000 1.162 454 G CA 0.633 45.631 45.100 -0.169 0.000 0.777 454 G HN 0.365 nan 8.290 nan 0.000 0.539 455 L N 1.265 122.479 121.223 -0.016 0.000 2.042 455 L HA -0.154 4.186 4.340 0.001 0.000 0.210 455 L C 3.245 180.190 176.870 0.125 0.000 1.076 455 L CA 1.874 56.749 54.840 0.059 0.000 0.749 455 L CB -0.231 41.850 42.059 0.038 0.000 0.893 455 L HN 0.467 nan 8.230 nan 0.000 0.432 456 S N -1.393 114.312 115.700 0.009 0.000 2.402 456 S HA -0.215 4.255 4.470 0.001 0.000 0.229 456 S C 1.920 176.579 174.600 0.099 0.000 1.021 456 S CA 0.707 58.922 58.200 0.026 0.000 0.974 456 S CB -0.641 62.519 63.200 -0.066 0.000 0.800 456 S HN 0.544 nan 8.310 nan 0.000 0.484 457 Y N 1.190 121.537 120.300 0.080 0.000 2.181 457 Y HA -0.047 4.504 4.550 0.001 0.000 0.288 457 Y C 2.436 178.400 175.900 0.107 0.000 1.146 457 Y CA 1.048 59.229 58.100 0.135 0.000 1.164 457 Y CB -0.289 38.258 38.460 0.144 0.000 0.982 457 Y HN 0.270 nan 8.280 nan 0.000 0.515 458 I N -0.310 120.403 120.570 0.238 0.000 2.208 458 I HA -0.288 3.883 4.170 0.001 0.000 0.245 458 I C 2.616 178.782 176.117 0.082 0.000 1.097 458 I CA 1.572 62.944 61.300 0.120 0.000 1.363 458 I CB -0.736 37.376 38.000 0.188 0.000 1.051 458 I HN 0.248 nan 8.210 nan 0.000 0.413 459 G N -0.683 108.174 108.800 0.096 0.000 2.448 459 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 459 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 459 G C 1.575 176.347 174.900 -0.213 0.000 1.135 459 G CA 0.231 45.204 45.100 -0.211 0.000 0.784 459 G HN 0.375 nan 8.290 nan 0.000 0.543 460 Q N -1.003 118.690 119.800 -0.177 0.000 2.163 460 Q HA 0.057 4.398 4.340 0.001 0.000 0.198 460 Q C 0.650 176.333 176.000 -0.530 0.000 0.954 460 Q CA 0.610 56.174 55.803 -0.398 0.000 0.851 460 Q CB 0.077 28.504 28.738 -0.518 0.000 0.928 460 Q HN 0.641 nan 8.270 nan 0.000 0.459 461 Y N -0.297 119.951 120.300 -0.086 0.000 2.774 461 Y HA 0.222 4.773 4.550 0.001 0.000 0.305 461 Y C -0.139 175.664 175.900 -0.161 0.000 1.067 461 Y CA -0.491 57.535 58.100 -0.124 0.000 1.304 461 Y CB 0.948 39.319 38.460 -0.148 0.000 1.209 461 Y HN 0.004 nan 8.280 nan 0.000 0.543 462 S N -1.574 114.082 115.700 -0.072 0.000 2.399 462 S HA 0.233 4.704 4.470 0.001 0.000 0.198 462 S C -2.192 172.366 174.600 -0.069 0.000 1.294 462 S CA -1.080 57.059 58.200 -0.101 0.000 1.237 462 S CB 0.526 63.624 63.200 -0.169 0.000 1.286 462 S HN 0.060 nan 8.310 nan 0.000 0.404 463 P HA -0.031 nan 4.420 nan 0.000 0.222 463 P C 0.322 177.616 177.300 -0.010 0.000 1.147 463 P CA 1.006 64.083 63.100 -0.039 0.000 0.790 463 P CB 0.032 31.714 31.700 -0.030 0.000 0.780 464 N N -0.905 117.798 118.700 0.005 0.000 2.205 464 N HA 0.068 4.809 4.740 0.001 0.000 0.201 464 N C -0.009 175.540 175.510 0.065 0.000 1.128 464 N CA 0.003 53.074 53.050 0.034 0.000 0.867 464 N CB 0.704 39.214 38.487 0.038 0.000 0.996 464 N HN 0.003 nan 8.380 nan 0.000 0.503 465 V N 1.777 121.727 119.914 0.059 0.000 2.470 465 V HA 0.095 4.216 4.120 0.001 0.000 0.276 465 V C 1.337 177.517 176.094 0.142 0.000 1.040 465 V CA 0.172 62.540 62.300 0.114 0.000 1.008 465 V CB 1.321 33.200 31.823 0.094 0.000 0.990 465 V HN 0.014 nan 8.190 nan 0.000 0.477 466 R N 3.062 123.682 120.500 0.199 0.000 2.156 466 R HA 0.135 4.475 4.340 0.001 0.000 0.207 466 R C -0.030 176.458 176.300 0.313 0.000 1.040 466 R CA 0.331 56.563 56.100 0.219 0.000 1.013 466 R CB 0.368 30.788 30.300 0.199 0.000 0.931 466 R HN 0.750 nan 8.270 nan 0.000 0.465 467 W N 0.252 121.640 121.300 0.147 0.000 2.883 467 W HA 0.600 5.261 4.660 0.001 0.000 0.335 467 W C -1.654 174.993 176.519 0.212 0.000 1.083 467 W CA -0.873 56.565 57.345 0.154 0.000 1.233 467 W CB 1.177 30.700 29.460 0.104 0.000 1.412 467 W HN -0.259 nan 8.180 nan 0.000 0.490 468 M N 6.674 125.902 119.600 -0.621 0.000 2.326 468 M HA 0.342 4.823 4.480 0.001 0.000 0.292 468 M C -1.671 174.107 176.300 -0.871 0.000 1.081 468 M CA -1.144 53.748 55.300 -0.680 0.000 0.919 468 M CB 2.082 34.664 32.600 -0.030 0.000 1.634 468 M HN 0.416 nan 8.290 nan 0.000 0.451 469 L N 5.400 126.071 121.223 -0.921 0.000 2.298 469 L HA 0.646 4.987 4.340 0.001 0.000 0.284 469 L C -1.820 174.949 176.870 -0.169 0.000 1.013 469 L CA -0.154 54.466 54.840 -0.368 0.000 0.824 469 L CB 0.897 42.832 42.059 -0.207 0.000 1.221 469 L HN 0.639 nan 8.230 nan 0.000 0.418 470 L N 5.661 126.846 121.223 -0.064 0.000 2.296 470 L HA 0.608 4.949 4.340 0.001 0.000 0.286 470 L C 1.076 177.886 176.870 -0.100 0.000 1.023 470 L CA -0.417 54.399 54.840 -0.040 0.000 0.812 470 L CB 1.524 43.540 42.059 -0.073 0.000 1.223 470 L HN 0.785 nan 8.230 nan 0.000 0.421 471 G N 1.499 110.199 108.800 -0.167 0.000 2.832 471 G HA2 -0.074 3.887 3.960 0.001 0.000 0.187 471 G HA3 -0.074 3.887 3.960 0.001 0.000 0.187 471 G C -0.275 174.275 174.900 -0.584 0.000 1.817 471 G CA 0.291 44.997 45.100 -0.655 0.000 0.896 471 G HN 0.491 nan 8.290 nan 0.000 0.453 472 Y N 1.015 121.036 120.300 -0.464 0.000 2.696 472 Y HA 0.422 4.973 4.550 0.001 0.000 0.378 472 Y C 0.612 176.404 175.900 -0.179 0.000 1.012 472 Y CA -1.038 56.872 58.100 -0.318 0.000 1.396 472 Y CB 0.442 38.731 38.460 -0.285 0.000 1.415 472 Y HN 0.254 nan 8.280 nan 0.000 0.569 473 V N -1.557 118.323 119.914 -0.056 0.000 3.109 473 V HA 0.997 5.117 4.120 0.001 0.000 0.317 473 V C 0.748 176.868 176.094 0.044 0.000 1.074 473 V CA -0.331 61.996 62.300 0.045 0.000 1.033 473 V CB 0.970 32.854 31.823 0.102 0.000 1.111 473 V HN 0.659 nan 8.190 nan 0.000 0.458 474 G N 2.075 110.938 108.800 0.106 0.000 2.855 474 G HA2 -0.157 3.804 3.960 0.001 0.000 0.352 474 G HA3 -0.157 3.804 3.960 0.001 0.000 0.352 474 G C -0.111 174.836 174.900 0.078 0.000 1.415 474 G CA 0.497 45.683 45.100 0.144 0.000 0.871 474 G HN 1.072 nan 8.290 nan 0.000 0.543 475 E N -0.636 119.624 120.200 0.101 0.000 2.399 475 E HA 0.347 4.698 4.350 0.001 0.000 0.206 475 E C 1.160 177.809 176.600 0.082 0.000 0.812 475 E CA 0.576 57.010 56.400 0.058 0.000 1.138 475 E CB 0.834 30.559 29.700 0.042 0.000 1.140 475 E HN 1.082 nan 8.360 nan 0.000 0.536 476 S N -0.212 115.581 115.700 0.154 0.000 2.705 476 S HA 0.198 4.669 4.470 0.001 0.000 0.280 476 S C -0.281 174.468 174.600 0.249 0.000 1.174 476 S CA -0.682 57.621 58.200 0.172 0.000 0.823 476 S CB 1.382 64.635 63.200 0.088 0.000 1.162 476 S HN -0.189 nan 8.310 nan 0.000 0.487 477 D N 1.034 121.551 120.400 0.195 0.000 2.239 477 D HA -0.102 4.539 4.640 0.001 0.000 0.202 477 D C 1.603 177.888 176.300 -0.025 0.000 0.993 477 D CA 1.316 55.364 54.000 0.080 0.000 0.874 477 D CB -0.151 40.684 40.800 0.060 0.000 0.922 477 D HN 0.558 nan 8.370 nan 0.000 0.464 478 E N 0.058 120.265 120.200 0.012 0.000 2.130 478 E HA -0.137 4.214 4.350 0.001 0.000 0.196 478 E C 2.193 178.771 176.600 -0.036 0.000 0.998 478 E CA 1.201 57.594 56.400 -0.013 0.000 0.806 478 E CB -0.420 29.281 29.700 0.002 0.000 0.738 478 E HN 0.424 nan 8.360 nan 0.000 0.459 479 G N 0.971 109.757 108.800 -0.025 0.000 2.394 479 G HA2 -0.193 3.768 3.960 0.001 0.000 0.215 479 G HA3 -0.193 3.768 3.960 0.001 0.000 0.215 479 G C 1.615 176.430 174.900 -0.143 0.000 1.165 479 G CA 0.467 45.546 45.100 -0.035 0.000 0.784 479 G HN 0.204 nan 8.290 nan 0.000 0.535 480 L N 0.538 121.501 121.223 -0.433 0.000 2.017 480 L HA 0.064 4.404 4.340 0.001 0.000 0.208 480 L C 2.687 179.459 176.870 -0.163 0.000 1.073 480 L CA 2.016 56.501 54.840 -0.591 0.000 0.745 480 L CB -0.400 40.970 42.059 -1.148 0.000 0.894 480 L HN 0.255 nan 8.230 nan 0.000 0.432 481 M N -1.220 118.293 119.600 -0.145 0.000 2.108 481 M HA -0.200 4.281 4.480 0.001 0.000 0.261 481 M C 2.032 178.311 176.300 -0.035 0.000 1.066 481 M CA 1.755 57.013 55.300 -0.069 0.000 1.107 481 M CB -0.308 32.254 32.600 -0.063 0.000 1.356 481 M HN 0.311 nan 8.290 nan 0.000 0.406 482 E N 0.039 120.224 120.200 -0.025 0.000 2.077 482 E HA -0.201 4.150 4.350 0.001 0.000 0.193 482 E C 1.748 178.350 176.600 0.003 0.000 0.989 482 E CA 1.310 57.698 56.400 -0.020 0.000 0.800 482 E CB -0.790 28.895 29.700 -0.025 0.000 0.746 482 E HN 0.613 nan 8.360 nan 0.000 0.452 483 F N 2.458 122.340 119.950 -0.112 0.000 2.065 483 F HA -0.288 4.240 4.527 0.001 0.000 0.298 483 F C 2.518 178.264 175.800 -0.090 0.000 1.112 483 F CA 2.279 60.221 58.000 -0.096 0.000 1.212 483 F CB -0.563 38.372 39.000 -0.109 0.000 0.975 483 F HN 0.024 nan 8.300 nan 0.000 0.476 484 S N 1.055 116.712 115.700 -0.071 0.000 2.500 484 S HA -0.234 4.237 4.470 0.001 0.000 0.239 484 S C 1.796 176.278 174.600 -0.196 0.000 0.989 484 S CA 0.885 58.987 58.200 -0.163 0.000 0.951 484 S CB -1.001 62.183 63.200 -0.028 0.000 0.759 484 S HN 0.741 nan 8.310 nan 0.000 0.523 485 R N 0.387 120.781 120.500 -0.177 0.000 2.317 485 R HA 0.409 4.749 4.340 0.001 0.000 0.208 485 R C 1.079 177.267 176.300 -0.187 0.000 0.914 485 R CA 0.326 56.336 56.100 -0.150 0.000 1.060 485 R CB -0.268 29.968 30.300 -0.106 0.000 1.015 485 R HN 0.362 nan 8.270 nan 0.000 0.498 486 G N 0.116 108.747 108.800 -0.281 0.000 3.039 486 G HA2 0.296 4.256 3.960 0.001 0.000 0.159 486 G HA3 0.296 4.256 3.960 0.001 0.000 0.159 486 G C -0.535 174.182 174.900 -0.305 0.000 1.284 486 G CA -0.192 44.736 45.100 -0.287 0.000 0.996 486 G HN 0.308 nan 8.290 nan 0.000 0.592 487 C N 0.375 119.498 119.300 -0.296 0.000 3.896 487 C HA -0.088 4.372 4.460 0.001 0.000 0.300 487 C C -0.906 174.003 174.990 -0.135 0.000 1.322 487 C CA -0.305 58.572 59.018 -0.234 0.000 2.130 487 C CB -2.107 25.417 27.740 -0.360 0.000 1.363 487 C HN 0.576 nan 8.230 nan 0.000 0.642 488 P HA -0.110 nan 4.420 nan 0.000 0.219 488 P C 0.720 178.007 177.300 -0.021 0.000 1.146 488 P CA 1.714 64.777 63.100 -0.062 0.000 0.808 488 P CB 0.034 31.701 31.700 -0.054 0.000 0.779 489 N N -1.730 116.967 118.700 -0.005 0.000 2.200 489 N HA 0.154 4.895 4.740 0.001 0.000 0.224 489 N C -0.206 175.347 175.510 0.072 0.000 1.179 489 N CA -0.309 52.763 53.050 0.037 0.000 0.877 489 N CB 0.267 38.780 38.487 0.043 0.000 1.072 489 N HN 0.035 nan 8.380 nan 0.000 0.519 490 L N 1.714 122.972 121.223 0.059 0.000 2.477 490 L HA 0.030 4.370 4.340 0.001 0.000 0.272 490 L C 0.801 177.766 176.870 0.158 0.000 1.157 490 L CA 0.662 55.569 54.840 0.111 0.000 0.889 490 L CB 0.812 42.921 42.059 0.084 0.000 1.158 490 L HN 0.338 nan 8.230 nan 0.000 0.473 491 Q N 3.210 123.135 119.800 0.208 0.000 2.387 491 Q HA 0.094 4.435 4.340 0.001 0.000 0.212 491 Q C 0.060 176.251 176.000 0.317 0.000 0.925 491 Q CA 0.489 56.440 55.803 0.246 0.000 0.901 491 Q CB 0.819 29.692 28.738 0.225 0.000 1.020 491 Q HN 0.460 nan 8.270 nan 0.000 0.545 492 K N 1.002 121.601 120.400 0.331 0.000 2.426 492 K HA 0.402 4.723 4.320 0.001 0.000 0.254 492 K C -1.965 174.859 176.600 0.373 0.000 0.936 492 K CA -0.544 55.980 56.287 0.395 0.000 0.801 492 K CB 1.433 34.130 32.500 0.328 0.000 1.139 492 K HN -0.074 nan 8.250 nan 0.000 0.424 493 L N 3.507 124.967 121.223 0.395 0.000 2.372 493 L HA 0.445 4.785 4.340 0.001 0.000 0.274 493 L C -1.484 175.585 176.870 0.333 0.000 0.988 493 L CA 0.023 55.034 54.840 0.285 0.000 0.833 493 L CB 1.760 43.986 42.059 0.278 0.000 1.236 493 L HN 0.652 nan 8.230 nan 0.000 0.410 494 E N 6.370 126.720 120.200 0.251 0.000 2.155 494 E HA 0.577 4.928 4.350 0.001 0.000 0.264 494 E C -1.209 175.520 176.600 0.216 0.000 0.886 494 E CA -0.340 56.292 56.400 0.387 0.000 0.752 494 E CB 1.745 31.719 29.700 0.457 0.000 1.133 494 E HN 0.596 nan 8.360 nan 0.000 0.414 495 M N 3.540 123.236 119.600 0.159 0.000 2.263 495 M HA 0.461 4.942 4.480 0.001 0.000 0.295 495 M C -0.502 175.760 176.300 -0.064 0.000 1.028 495 M CA -0.726 54.583 55.300 0.015 0.000 0.921 495 M CB 2.291 34.885 32.600 -0.009 0.000 1.601 495 M HN 0.404 nan 8.290 nan 0.000 0.440 496 R N 0.915 121.350 120.500 -0.108 0.000 2.808 496 R HA 0.797 5.137 4.340 0.001 0.000 0.272 496 R C 0.247 176.231 176.300 -0.528 0.000 0.995 496 R CA 0.041 56.028 56.100 -0.188 0.000 0.917 496 R CB 1.807 32.132 30.300 0.043 0.000 1.217 496 R HN 0.844 nan 8.270 nan 0.000 0.471 497 G N 0.719 109.169 108.800 -0.583 0.000 2.249 497 G HA2 -0.266 3.695 3.960 0.001 0.000 0.273 497 G HA3 -0.266 3.695 3.960 0.001 0.000 0.273 497 G C -0.278 174.077 174.900 -0.909 0.000 1.036 497 G CA 0.396 44.851 45.100 -1.075 0.000 0.824 497 G HN 0.632 nan 8.290 nan 0.000 0.504 498 C N -0.886 118.058 119.300 -0.593 0.000 2.397 498 C HA 0.551 5.012 4.460 0.001 0.000 0.343 498 C C 2.328 176.958 174.990 -0.601 0.000 1.188 498 C CA -0.192 58.407 59.018 -0.699 0.000 1.992 498 C CB 0.996 28.189 27.740 -0.910 0.000 2.358 498 C HN 0.812 nan 8.230 nan 0.000 0.518 499 C N -0.829 118.043 119.300 -0.714 0.000 2.464 499 C HA 0.137 4.598 4.460 0.001 0.000 0.278 499 C C 1.076 175.939 174.990 -0.212 0.000 1.375 499 C CA -0.435 58.360 59.018 -0.371 0.000 1.761 499 C CB -1.927 25.665 27.740 -0.247 0.000 1.944 499 C HN 0.758 nan 8.230 nan 0.000 0.509 500 F N 3.697 123.640 119.950 -0.012 0.000 2.647 500 F HA 0.136 4.663 4.527 0.001 0.000 0.363 500 F C 1.342 177.172 175.800 0.050 0.000 1.130 500 F CA 0.366 58.369 58.000 0.005 0.000 1.351 500 F CB 0.135 39.124 39.000 -0.018 0.000 1.026 500 F HN 0.288 nan 8.300 nan 0.000 0.607 501 S N 1.139 116.985 115.700 0.244 0.000 2.652 501 S HA 0.203 4.673 4.470 0.001 0.000 0.270 501 S C 0.779 175.479 174.600 0.167 0.000 1.243 501 S CA -0.845 57.460 58.200 0.175 0.000 0.999 501 S CB 1.508 64.776 63.200 0.114 0.000 0.973 501 S HN 0.731 nan 8.310 nan 0.000 0.544 502 E N 1.114 121.420 120.200 0.176 0.000 2.065 502 E HA -0.242 4.109 4.350 0.001 0.000 0.201 502 E C 2.316 178.950 176.600 0.056 0.000 1.016 502 E CA 1.582 58.053 56.400 0.118 0.000 0.818 502 E CB -0.227 29.555 29.700 0.137 0.000 0.749 502 E HN 0.707 nan 8.360 nan 0.000 0.453 503 R N 1.120 121.652 120.500 0.054 0.000 2.148 503 R HA -0.005 4.336 4.340 0.001 0.000 0.227 503 R C 1.924 178.233 176.300 0.015 0.000 1.103 503 R CA 1.348 57.465 56.100 0.028 0.000 0.983 503 R CB -0.338 29.976 30.300 0.024 0.000 0.874 503 R HN 0.124 nan 8.270 nan 0.000 0.451 504 A N 2.262 125.098 122.820 0.026 0.000 1.897 504 A HA 0.017 4.337 4.320 0.001 0.000 0.215 504 A C 2.372 179.939 177.584 -0.028 0.000 1.181 504 A CA 1.026 53.059 52.037 -0.006 0.000 0.620 504 A CB -0.248 18.757 19.000 0.008 0.000 0.821 504 A HN 0.212 nan 8.150 nan 0.000 0.443 505 I N 0.274 120.845 120.570 0.001 0.000 2.099 505 I HA -0.306 3.865 4.170 0.001 0.000 0.239 505 I C 2.986 179.095 176.117 -0.014 0.000 1.066 505 I CA 1.745 63.037 61.300 -0.013 0.000 1.324 505 I CB -1.638 36.337 38.000 -0.040 0.000 1.037 505 I HN 0.367 nan 8.210 nan 0.000 0.401 506 A N 0.865 123.679 122.820 -0.010 0.000 1.940 506 A HA -0.142 4.178 4.320 0.001 0.000 0.219 506 A C 2.531 180.096 177.584 -0.033 0.000 1.176 506 A CA 2.277 54.307 52.037 -0.011 0.000 0.631 506 A CB -0.749 18.250 19.000 -0.001 0.000 0.814 506 A HN 0.485 nan 8.150 nan 0.000 0.446 507 A N -0.572 122.229 122.820 -0.031 0.000 1.930 507 A HA 0.324 4.644 4.320 0.001 0.000 0.215 507 A C 2.430 179.985 177.584 -0.049 0.000 1.176 507 A CA 1.588 53.600 52.037 -0.041 0.000 0.632 507 A CB -0.806 18.174 19.000 -0.034 0.000 0.819 507 A HN 1.005 nan 8.150 nan 0.000 0.445 508 A N -0.520 122.275 122.820 -0.042 0.000 1.969 508 A HA 0.057 4.377 4.320 0.001 0.000 0.218 508 A C 2.154 179.720 177.584 -0.029 0.000 1.169 508 A CA 1.598 53.619 52.037 -0.027 0.000 0.635 508 A CB -0.693 18.305 19.000 -0.004 0.000 0.810 508 A HN 0.321 nan 8.150 nan 0.000 0.445 509 V N -0.297 119.591 119.914 -0.044 0.000 2.358 509 V HA -0.203 3.918 4.120 0.001 0.000 0.246 509 V C 2.734 178.728 176.094 -0.166 0.000 1.047 509 V CA 2.420 64.664 62.300 -0.094 0.000 1.035 509 V CB -1.095 30.660 31.823 -0.112 0.000 0.658 509 V HN 0.605 nan 8.190 nan 0.000 0.452 510 T N -0.510 113.957 114.554 -0.146 0.000 2.759 510 T HA -0.246 4.105 4.350 0.001 0.000 0.269 510 T C 1.935 176.575 174.700 -0.101 0.000 1.042 510 T CA 1.613 63.630 62.100 -0.138 0.000 1.140 510 T CB -0.198 68.610 68.868 -0.100 0.000 0.864 510 T HN 0.410 nan 8.240 nan 0.000 0.455 511 K N 0.158 120.509 120.400 -0.082 0.000 2.228 511 K HA 0.152 4.473 4.320 0.001 0.000 0.202 511 K C 0.305 176.859 176.600 -0.077 0.000 1.051 511 K CA 0.302 56.544 56.287 -0.074 0.000 0.960 511 K CB -0.106 32.351 32.500 -0.072 0.000 0.743 511 K HN 0.291 nan 8.250 nan 0.000 0.458 512 L N 2.873 124.051 121.223 -0.074 0.000 2.369 512 L HA 0.064 4.405 4.340 0.001 0.000 0.279 512 L C -1.391 175.457 176.870 -0.037 0.000 1.108 512 L CA -1.305 53.498 54.840 -0.063 0.000 0.852 512 L CB 0.654 42.694 42.059 -0.033 0.000 1.169 512 L HN 0.048 nan 8.230 nan 0.000 0.452 513 P HA -0.101 nan 4.420 nan 0.000 0.216 513 P C 1.017 178.336 177.300 0.033 0.000 1.153 513 P CA 1.005 64.100 63.100 -0.008 0.000 0.848 513 P CB 0.441 32.129 31.700 -0.019 0.000 0.787 514 S N -1.043 114.687 115.700 0.051 0.000 2.524 514 S HA 0.130 4.600 4.470 0.001 0.000 0.215 514 S C 0.739 175.440 174.600 0.169 0.000 0.986 514 S CA -0.486 57.774 58.200 0.101 0.000 0.911 514 S CB -0.481 62.772 63.200 0.088 0.000 0.805 514 S HN -0.000 nan 8.310 nan 0.000 0.501 515 L N 3.587 124.903 121.223 0.154 0.000 2.559 515 L HA 0.089 4.430 4.340 0.001 0.000 0.274 515 L C 0.993 178.073 176.870 0.351 0.000 1.205 515 L CA 0.659 55.633 54.840 0.223 0.000 0.907 515 L CB 0.464 42.612 42.059 0.148 0.000 1.153 515 L HN 0.202 nan 8.230 nan 0.000 0.490 516 R N 3.048 123.831 120.500 0.472 0.000 2.531 516 R HA 0.237 4.577 4.340 0.001 0.000 0.316 516 R C -0.745 175.955 176.300 0.667 0.000 0.955 516 R CA -0.429 56.061 56.100 0.650 0.000 1.120 516 R CB 0.075 30.732 30.300 0.595 0.000 1.361 516 R HN 0.492 nan 8.270 nan 0.000 0.534 517 Y N 0.649 121.213 120.300 0.440 0.000 2.441 517 Y HA 0.546 5.097 4.550 0.001 0.000 0.334 517 Y C -2.085 174.027 175.900 0.354 0.000 1.061 517 Y CA -1.521 56.794 58.100 0.358 0.000 1.032 517 Y CB 2.186 40.826 38.460 0.300 0.000 1.266 517 Y HN 0.038 nan 8.280 nan 0.000 0.441 518 L N 7.340 128.738 121.223 0.292 0.000 2.438 518 L HA 0.543 4.883 4.340 0.001 0.000 0.270 518 L C -2.169 174.850 176.870 0.248 0.000 0.972 518 L CA -0.505 54.537 54.840 0.336 0.000 0.831 518 L CB 1.472 43.705 42.059 0.291 0.000 1.273 518 L HN 0.722 nan 8.230 nan 0.000 0.405 519 W N 7.688 129.101 121.300 0.189 0.000 2.683 519 W HA 0.764 5.424 4.660 0.001 0.000 0.329 519 W C -2.317 174.248 176.519 0.077 0.000 1.037 519 W CA -0.796 56.615 57.345 0.110 0.000 1.232 519 W CB 1.758 31.334 29.460 0.194 0.000 1.390 519 W HN 0.356 nan 8.180 nan 0.000 0.465 520 V N 5.786 125.249 119.914 -0.752 0.000 2.638 520 V HA 0.317 4.438 4.120 0.001 0.000 0.306 520 V C -0.572 175.032 176.094 -0.816 0.000 1.052 520 V CA -0.658 61.242 62.300 -0.666 0.000 0.885 520 V CB 1.784 33.400 31.823 -0.344 0.000 0.999 520 V HN 0.613 nan 8.190 nan 0.000 0.424 521 Q N 2.376 121.817 119.800 -0.598 0.000 2.340 521 Q HA 0.638 4.979 4.340 0.001 0.000 0.268 521 Q C 0.010 175.985 176.000 -0.042 0.000 1.031 521 Q CA 0.075 55.739 55.803 -0.233 0.000 0.804 521 Q CB 2.044 30.680 28.738 -0.170 0.000 1.286 521 Q HN 1.345 nan 8.270 nan 0.000 0.448 522 G N 3.215 112.058 108.800 0.072 0.000 3.429 522 G HA2 -0.186 3.774 3.960 0.001 0.000 0.605 522 G HA3 -0.186 3.774 3.960 0.001 0.000 0.605 522 G C -1.385 173.548 174.900 0.054 0.000 0.973 522 G CA 0.070 45.151 45.100 -0.031 0.000 0.774 522 G HN 0.886 nan 8.290 nan 0.000 0.422 523 Y N -1.330 118.906 120.300 -0.107 0.000 2.573 523 Y HA 0.686 5.236 4.550 0.001 0.000 0.328 523 Y C -0.155 175.716 175.900 -0.049 0.000 1.170 523 Y CA -1.889 56.162 58.100 -0.082 0.000 1.078 523 Y CB 0.767 39.196 38.460 -0.051 0.000 1.341 523 Y HN 0.548 nan 8.280 nan 0.000 0.459 524 R N 2.521 123.036 120.500 0.026 0.000 2.498 524 R HA 0.463 4.804 4.340 0.001 0.000 0.334 524 R C 0.499 176.800 176.300 0.002 0.000 1.106 524 R CA 0.571 56.656 56.100 -0.025 0.000 0.995 524 R CB -0.032 30.285 30.300 0.029 0.000 0.989 524 R HN 0.800 nan 8.270 nan 0.000 0.455 525 A N 2.418 125.130 122.820 -0.180 0.000 2.311 525 A HA 0.478 4.799 4.320 0.001 0.000 0.272 525 A C -0.002 177.581 177.584 -0.002 0.000 1.438 525 A CA -0.042 51.931 52.037 -0.105 0.000 0.819 525 A CB 0.497 19.327 19.000 -0.284 0.000 1.336 525 A HN 0.680 nan 8.150 nan 0.000 0.528 526 S N -3.401 112.308 115.700 0.015 0.000 2.581 526 S HA 0.243 4.713 4.470 0.001 0.000 0.306 526 S C -0.007 174.605 174.600 0.019 0.000 1.080 526 S CA 0.192 58.401 58.200 0.015 0.000 0.925 526 S CB 0.086 63.304 63.200 0.030 0.000 1.128 526 S HN 1.004 nan 8.310 nan 0.000 0.451 527 M N 3.199 122.801 119.600 0.004 0.000 2.192 527 M HA -0.104 4.376 4.480 0.001 0.000 0.259 527 M C 1.922 178.232 176.300 0.016 0.000 1.071 527 M CA 2.786 58.090 55.300 0.007 0.000 1.082 527 M CB -1.432 31.168 32.600 -0.000 0.000 1.373 527 M HN 0.930 nan 8.290 nan 0.000 0.408 528 T N -0.301 114.263 114.554 0.017 0.000 2.624 528 T HA -0.204 4.147 4.350 0.001 0.000 0.266 528 T C 1.772 176.487 174.700 0.026 0.000 1.050 528 T CA 2.304 64.416 62.100 0.020 0.000 1.163 528 T CB -1.392 67.489 68.868 0.021 0.000 0.861 528 T HN 0.783 nan 8.240 nan 0.000 0.443 529 G N 0.294 109.117 108.800 0.038 0.000 2.396 529 G HA2 -0.328 3.633 3.960 0.001 0.000 0.242 529 G HA3 -0.328 3.633 3.960 0.001 0.000 0.242 529 G C 0.840 175.766 174.900 0.043 0.000 1.069 529 G CA 0.519 45.647 45.100 0.047 0.000 0.633 529 G HN 0.496 nan 8.290 nan 0.000 0.517 530 Q N 0.826 120.646 119.800 0.033 0.000 2.515 530 Q HA 0.089 4.430 4.340 0.001 0.000 0.214 530 Q C 1.399 177.416 176.000 0.028 0.000 0.971 530 Q CA 1.514 57.333 55.803 0.027 0.000 0.952 530 Q CB -0.044 28.706 28.738 0.020 0.000 0.999 530 Q HN 0.769 nan 8.270 nan 0.000 0.524 531 D N -0.701 119.721 120.400 0.037 0.000 2.277 531 D HA 0.018 4.659 4.640 0.001 0.000 0.209 531 D C 1.692 178.011 176.300 0.032 0.000 0.970 531 D CA 0.097 54.118 54.000 0.035 0.000 0.874 531 D CB 0.192 41.019 40.800 0.045 0.000 0.982 531 D HN 0.104 nan 8.370 nan 0.000 0.504 532 L N 0.425 121.669 121.223 0.035 0.000 2.127 532 L HA -0.140 4.200 4.340 0.001 0.000 0.211 532 L C 1.911 178.803 176.870 0.036 0.000 1.089 532 L CA 0.645 55.500 54.840 0.025 0.000 0.757 532 L CB -0.290 41.778 42.059 0.014 0.000 0.899 532 L HN 0.163 nan 8.230 nan 0.000 0.434 533 M N -0.135 119.486 119.600 0.033 0.000 2.426 533 M HA -0.238 4.242 4.480 0.001 0.000 0.261 533 M C 2.013 178.330 176.300 0.029 0.000 1.068 533 M CA 1.428 56.748 55.300 0.034 0.000 1.066 533 M CB -0.965 31.650 32.600 0.025 0.000 1.399 533 M HN 0.488 nan 8.290 nan 0.000 0.449 534 Q N 0.143 119.955 119.800 0.020 0.000 2.373 534 Q HA -0.015 4.326 4.340 0.001 0.000 0.206 534 Q C 1.165 177.161 176.000 -0.007 0.000 0.942 534 Q CA 0.361 56.168 55.803 0.006 0.000 0.953 534 Q CB -0.326 28.413 28.738 0.002 0.000 1.022 534 Q HN 0.720 nan 8.270 nan 0.000 0.502 535 M N -2.530 117.074 119.600 0.006 0.000 2.416 535 M HA 0.537 5.018 4.480 0.001 0.000 0.337 535 M C 0.027 176.330 176.300 0.004 0.000 1.074 535 M CA -0.496 54.782 55.300 -0.036 0.000 0.968 535 M CB 0.871 33.445 32.600 -0.042 0.000 1.472 535 M HN 0.034 nan 8.290 nan 0.000 0.539 536 A N 2.529 125.388 122.820 0.064 0.000 2.513 536 A HA 0.357 4.677 4.320 0.001 0.000 0.274 536 A C -0.163 177.458 177.584 0.061 0.000 1.115 536 A CA 0.107 52.205 52.037 0.102 0.000 0.792 536 A CB -0.261 18.779 19.000 0.065 0.000 1.053 536 A HN 0.734 nan 8.150 nan 0.000 0.515 537 R N 2.649 123.207 120.500 0.096 0.000 2.828 537 R HA 0.606 4.947 4.340 0.001 0.000 0.264 537 R C -2.813 173.591 176.300 0.173 0.000 1.022 537 R CA -2.016 54.145 56.100 0.101 0.000 1.021 537 R CB 0.217 30.568 30.300 0.084 0.000 1.163 537 R HN 0.368 nan 8.270 nan 0.000 0.494 538 P HA 0.039 nan 4.420 nan 0.000 0.269 538 P C -0.932 176.521 177.300 0.254 0.000 1.209 538 P CA 0.080 63.204 63.100 0.041 0.000 0.776 538 P CB 0.134 31.812 31.700 -0.037 0.000 0.876 539 Y N -2.639 117.811 120.300 0.251 0.000 4.907 539 Y HA -0.201 4.350 4.550 0.001 0.000 0.246 539 Y C 0.062 176.242 175.900 0.467 0.000 0.968 539 Y CA 0.481 58.781 58.100 0.332 0.000 1.961 539 Y CB -1.782 36.880 38.460 0.336 0.000 1.487 539 Y HN 0.512 nan 8.280 nan 0.000 0.575 540 W N 3.073 124.480 121.300 0.178 0.000 2.294 540 W HA 0.473 5.133 4.660 0.001 0.000 0.314 540 W C -0.753 175.661 176.519 -0.175 0.000 1.044 540 W CA -0.798 56.497 57.345 -0.083 0.000 1.284 540 W CB 0.830 30.186 29.460 -0.173 0.000 1.231 540 W HN -0.127 nan 8.180 nan 0.000 0.419 541 N N 5.731 124.003 118.700 -0.714 0.000 2.422 541 N HA 0.248 4.988 4.740 0.001 0.000 0.266 541 N C -0.603 174.347 175.510 -0.934 0.000 1.007 541 N CA -0.266 52.332 53.050 -0.753 0.000 0.941 541 N CB 1.486 39.395 38.487 -0.962 0.000 1.115 541 N HN 0.448 nan 8.380 nan 0.000 0.492 542 I N -0.906 119.349 120.570 -0.524 0.000 2.406 542 I HA 0.504 4.674 4.170 0.001 0.000 0.290 542 I C -0.545 175.457 176.117 -0.192 0.000 0.999 542 I CA -0.323 60.746 61.300 -0.385 0.000 1.124 542 I CB 1.340 39.209 38.000 -0.217 0.000 1.289 542 I HN 0.309 nan 8.210 nan 0.000 0.441 543 E N 6.693 126.831 120.200 -0.103 0.000 2.199 543 E HA 0.608 4.958 4.350 0.001 0.000 0.269 543 E C -1.409 175.235 176.600 0.074 0.000 0.899 543 E CA -0.802 55.613 56.400 0.026 0.000 0.772 543 E CB 2.336 32.126 29.700 0.150 0.000 1.155 543 E HN 0.619 nan 8.360 nan 0.000 0.408 544 L N 3.877 125.149 121.223 0.082 0.000 2.322 544 L HA 0.510 4.851 4.340 0.001 0.000 0.281 544 L C -0.439 176.513 176.870 0.138 0.000 1.014 544 L CA -0.714 54.188 54.840 0.102 0.000 0.815 544 L CB 1.204 43.309 42.059 0.077 0.000 1.247 544 L HN 0.440 nan 8.230 nan 0.000 0.421 545 I N 5.447 126.114 120.570 0.162 0.000 2.310 545 I HA 0.249 4.419 4.170 0.001 0.000 0.287 545 I C -1.840 174.270 176.117 -0.011 0.000 1.073 545 I CA -1.783 59.592 61.300 0.125 0.000 1.216 545 I CB 0.899 39.033 38.000 0.224 0.000 1.415 545 I HN 0.351 nan 8.210 nan 0.000 0.480 546 P HA -0.032 nan 4.420 nan 0.000 0.270 546 P C 0.371 177.640 177.300 -0.053 0.000 1.227 546 P CA -0.177 62.917 63.100 -0.009 0.000 0.788 546 P CB 0.466 32.174 31.700 0.012 0.000 0.926 547 S N -0.213 115.456 115.700 -0.050 0.000 3.120 547 S HA 0.053 4.524 4.470 0.001 0.000 0.259 547 S C 0.745 175.324 174.600 -0.036 0.000 1.191 547 S CA -0.277 57.888 58.200 -0.059 0.000 1.257 547 S CB -0.851 62.309 63.200 -0.066 0.000 0.964 547 S HN 0.286 nan 8.310 nan 0.000 0.473 565 P HA 0.142 nan 4.420 nan 0.000 0.268 565 P C -0.145 177.126 177.300 -0.049 0.000 1.208 565 P CA -0.187 62.916 63.100 0.006 0.000 0.777 565 P CB 0.312 32.020 31.700 0.013 0.000 0.875 566 A N 2.648 125.410 122.820 -0.096 0.000 2.587 566 A HA -0.013 4.308 4.320 0.001 0.000 0.233 566 A C -0.062 177.592 177.584 0.117 0.000 1.049 566 A CA 0.610 52.621 52.037 -0.044 0.000 0.754 566 A CB -0.829 18.183 19.000 0.022 0.000 0.977 566 A HN 0.647 nan 8.150 nan 0.000 0.509 567 H N 0.018 119.129 119.070 0.068 0.000 2.533 567 H HA 0.625 5.182 4.556 0.001 0.000 0.343 567 H C -0.710 174.563 175.328 -0.091 0.000 1.160 567 H CA -0.836 55.124 56.048 -0.147 0.000 1.218 567 H CB 1.625 31.284 29.762 -0.172 0.000 1.566 567 H HN 0.561 nan 8.280 nan 0.000 0.522 568 I N 2.827 123.316 120.570 -0.135 0.000 2.406 568 I HA 0.149 4.320 4.170 0.001 0.000 0.290 568 I C -1.204 174.885 176.117 -0.045 0.000 0.999 568 I CA -0.694 60.534 61.300 -0.120 0.000 1.124 568 I CB 1.720 39.543 38.000 -0.295 0.000 1.289 568 I HN 0.189 nan 8.210 nan 0.000 0.441 569 L N 7.013 128.272 121.223 0.061 0.000 2.356 569 L HA 0.895 5.235 4.340 0.001 0.000 0.277 569 L C -0.728 176.092 176.870 -0.084 0.000 0.996 569 L CA -0.146 54.746 54.840 0.088 0.000 0.822 569 L CB 1.513 43.727 42.059 0.259 0.000 1.256 569 L HN 0.693 nan 8.230 nan 0.000 0.413 570 A N 4.453 127.122 122.820 -0.251 0.000 2.455 570 A HA 0.826 5.147 4.320 0.001 0.000 0.300 570 A C -1.936 175.116 177.584 -0.886 0.000 1.040 570 A CA -0.396 51.208 52.037 -0.722 0.000 0.697 570 A CB 1.184 19.718 19.000 -0.777 0.000 1.265 570 A HN 0.832 nan 8.150 nan 0.000 0.407 571 Y N -1.316 118.288 120.300 -1.159 0.000 2.592 571 Y HA 0.686 5.237 4.550 0.001 0.000 0.334 571 Y C -1.180 174.496 175.900 -0.372 0.000 1.136 571 Y CA -1.516 56.214 58.100 -0.617 0.000 1.042 571 Y CB 0.644 38.978 38.460 -0.209 0.000 1.325 571 Y HN 0.589 nan 8.280 nan 0.000 0.457 572 Y N 1.607 122.109 120.300 0.336 0.000 2.346 572 Y HA 0.454 5.005 4.550 0.001 0.000 0.330 572 Y C 0.652 176.783 175.900 0.385 0.000 1.178 572 Y CA 0.562 58.907 58.100 0.410 0.000 1.331 572 Y CB 1.468 40.197 38.460 0.448 0.000 1.253 572 Y HN 0.730 nan 8.280 nan 0.000 0.529 573 S N 3.465 119.491 115.700 0.543 0.000 2.572 573 S HA 0.304 4.774 4.470 0.001 0.000 0.274 573 S C -0.135 174.715 174.600 0.417 0.000 1.150 573 S CA -0.790 57.684 58.200 0.456 0.000 0.944 573 S CB 0.697 64.180 63.200 0.472 0.000 1.071 573 S HN 0.767 nan 8.310 nan 0.000 0.479 574 L N 3.376 124.778 121.223 0.298 0.000 2.551 574 L HA 0.159 4.499 4.340 0.001 0.000 0.228 574 L C 2.274 179.315 176.870 0.286 0.000 1.153 574 L CA 1.078 56.067 54.840 0.248 0.000 0.851 574 L CB -0.386 41.742 42.059 0.115 0.000 0.959 574 L HN 0.816 nan 8.230 nan 0.000 0.451 575 A N -0.592 122.393 122.820 0.275 0.000 2.169 575 A HA 0.498 4.818 4.320 0.001 0.000 0.210 575 A C 1.245 178.932 177.584 0.173 0.000 1.168 575 A CA 0.614 52.778 52.037 0.211 0.000 0.813 575 A CB 0.060 19.194 19.000 0.223 0.000 0.861 575 A HN 0.404 nan 8.150 nan 0.000 0.481 576 G N -0.867 108.043 108.800 0.183 0.000 2.660 576 G HA2 -0.122 3.839 3.960 0.001 0.000 0.247 576 G HA3 -0.122 3.839 3.960 0.001 0.000 0.247 576 G C -0.579 174.370 174.900 0.081 0.000 1.328 576 G CA -0.374 44.788 45.100 0.103 0.000 0.884 576 G HN 0.518 nan 8.290 nan 0.000 0.531 577 Q N 0.399 120.212 119.800 0.021 0.000 2.332 577 Q HA 0.419 4.759 4.340 0.001 0.000 0.263 577 Q C 0.872 176.863 176.000 -0.015 0.000 0.979 577 Q CA -0.106 55.688 55.803 -0.015 0.000 0.885 577 Q CB 0.474 29.185 28.738 -0.045 0.000 1.218 577 Q HN 0.533 nan 8.270 nan 0.000 0.405 578 R N 1.352 121.812 120.500 -0.066 0.000 2.585 578 R HA -0.039 4.302 4.340 0.001 0.000 0.275 578 R C 0.967 177.206 176.300 -0.102 0.000 1.018 578 R CA 0.172 56.191 56.100 -0.135 0.000 1.072 578 R CB 0.018 30.016 30.300 -0.504 0.000 0.953 578 R HN 0.576 nan 8.270 nan 0.000 0.419 579 T N 1.096 115.621 114.554 -0.048 0.000 2.995 579 T HA -0.092 4.259 4.350 0.001 0.000 0.269 579 T C 0.523 175.189 174.700 -0.057 0.000 1.091 579 T CA 1.511 63.587 62.100 -0.041 0.000 1.128 579 T CB -0.166 68.693 68.868 -0.015 0.000 0.891 579 T HN 0.734 nan 8.240 nan 0.000 0.492 580 D N -0.313 120.043 120.400 -0.072 0.000 2.643 580 D HA 0.149 4.790 4.640 0.001 0.000 0.244 580 D C -0.200 176.061 176.300 -0.065 0.000 1.257 580 D CA -0.487 53.493 54.000 -0.034 0.000 0.831 580 D CB -1.334 39.513 40.800 0.079 0.000 1.043 580 D HN 0.164 nan 8.370 nan 0.000 0.488 581 C N 1.836 121.058 119.300 -0.130 0.000 2.662 581 C HA 0.323 4.784 4.460 0.001 0.000 0.420 581 C C -1.488 173.472 174.990 -0.050 0.000 1.314 581 C CA -0.761 58.170 59.018 -0.145 0.000 1.963 581 C CB 0.016 27.678 27.740 -0.129 0.000 2.686 581 C HN 0.364 nan 8.230 nan 0.000 0.609 582 P HA 0.176 nan 4.420 nan 0.000 0.274 582 P C 0.836 178.154 177.300 0.029 0.000 1.260 582 P CA -0.046 63.075 63.100 0.036 0.000 0.793 582 P CB 0.296 32.042 31.700 0.077 0.000 1.048 583 T N -0.857 113.721 114.554 0.040 0.000 2.904 583 T HA -0.084 4.266 4.350 0.001 0.000 0.267 583 T C 1.367 176.096 174.700 0.048 0.000 1.059 583 T CA 1.875 63.996 62.100 0.036 0.000 1.137 583 T CB -0.977 67.911 68.868 0.033 0.000 0.879 583 T HN 0.627 nan 8.240 nan 0.000 0.467 584 T N -0.012 114.584 114.554 0.070 0.000 3.155 584 T HA 0.115 4.466 4.350 0.001 0.000 0.264 584 T C 0.458 175.222 174.700 0.106 0.000 1.160 584 T CA 0.089 62.242 62.100 0.088 0.000 1.075 584 T CB -0.274 68.665 68.868 0.118 0.000 0.921 584 T HN 0.089 nan 8.240 nan 0.000 0.533 585 V N 1.146 121.115 119.914 0.092 0.000 2.483 585 V HA 0.483 4.603 4.120 0.001 0.000 0.297 585 V C -0.250 175.878 176.094 0.057 0.000 1.027 585 V CA -1.171 61.194 62.300 0.108 0.000 0.855 585 V CB 2.035 33.932 31.823 0.123 0.000 0.995 585 V HN 0.236 nan 8.190 nan 0.000 0.424 586 R N 3.231 123.766 120.500 0.058 0.000 2.338 586 R HA 0.692 5.032 4.340 0.001 0.000 0.317 586 R C -1.187 175.123 176.300 0.017 0.000 0.968 586 R CA -0.481 55.637 56.100 0.029 0.000 0.849 586 R CB 1.876 32.194 30.300 0.030 0.000 1.128 586 R HN 0.561 nan 8.270 nan 0.000 0.448 587 V N 6.082 125.992 119.914 -0.006 0.000 2.461 587 V HA 0.190 4.311 4.120 0.001 0.000 0.275 587 V C 0.515 176.595 176.094 -0.023 0.000 1.047 587 V CA -0.512 61.772 62.300 -0.027 0.000 0.955 587 V CB 1.281 33.076 31.823 -0.046 0.000 0.988 587 V HN 0.664 nan 8.190 nan 0.000 0.471 588 L N 6.550 127.755 121.223 -0.030 0.000 2.278 588 L HA 0.401 4.741 4.340 0.001 0.000 0.287 588 L C 0.245 177.100 176.870 -0.025 0.000 1.072 588 L CA 0.099 54.928 54.840 -0.020 0.000 0.819 588 L CB 0.422 42.472 42.059 -0.016 0.000 1.176 588 L HN 0.705 nan 8.230 nan 0.000 0.435 589 K N 3.032 123.423 120.400 -0.015 0.000 2.352 589 K HA 0.401 4.722 4.320 0.001 0.000 0.240 589 K C -0.543 176.055 176.600 -0.003 0.000 1.017 589 K CA -1.090 55.189 56.287 -0.013 0.000 0.851 589 K CB 1.622 34.112 32.500 -0.016 0.000 1.261 589 K HN 0.402 nan 8.250 nan 0.000 0.451 590 E N 1.691 121.890 120.200 -0.002 0.000 2.461 590 E HA 0.007 4.358 4.350 0.001 0.000 0.263 590 E C -2.228 174.373 176.600 0.001 0.000 1.143 590 E CA -1.000 55.402 56.400 0.002 0.000 0.994 590 E CB -0.320 29.380 29.700 0.001 0.000 0.973 590 E HN 0.305 nan 8.360 nan 0.000 0.457 591 P HA -0.193 nan 4.420 nan 0.000 0.259 591 P C -0.298 177.003 177.300 0.002 0.000 1.111 591 P CA 0.650 63.752 63.100 0.003 0.000 0.758 591 P CB -0.059 31.642 31.700 0.002 0.000 0.693 592 I N 0.000 120.572 120.570 0.003 0.000 2.984 592 I HA 0.000 4.171 4.170 0.001 0.000 0.288 592 I CA 0.000 61.301 61.300 0.002 0.000 1.566 592 I CB 0.000 38.002 38.000 0.004 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494