REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ogm_1_P 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 IELIPSRRXX XXXXXXXXXX DATA SEQUENCE XEHPAHILAY 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 0.000 174.605 174.600 0.009 0.000 1.055 12 S CA 0.000 58.205 58.200 0.008 0.000 1.107 12 S CB 0.000 63.204 63.200 0.007 0.000 0.593 13 C N 2.982 122.288 119.300 0.010 0.000 2.328 13 C HA 0.819 5.279 4.460 -0.000 0.000 0.378 13 C C 0.812 175.809 174.990 0.012 0.000 1.249 13 C CA -0.226 58.799 59.018 0.011 0.000 2.204 13 C CB 0.756 28.503 27.740 0.013 0.000 2.218 13 C HN 0.945 nan 8.230 nan 0.000 0.564 14 V N 2.855 122.776 119.914 0.013 0.000 2.788 14 V HA 0.316 4.436 4.120 -0.000 0.000 0.307 14 V C 0.825 176.929 176.094 0.017 0.000 1.069 14 V CA 0.104 62.413 62.300 0.014 0.000 1.173 14 V CB -0.117 31.715 31.823 0.014 0.000 0.925 14 V HN 1.034 nan 8.190 nan 0.000 0.492 15 A N 4.145 126.975 122.820 0.017 0.000 2.354 15 A HA 0.591 4.911 4.320 -0.000 0.000 0.281 15 A C 0.566 178.167 177.584 0.028 0.000 1.174 15 A CA -0.353 51.696 52.037 0.020 0.000 0.828 15 A CB -0.110 18.900 19.000 0.015 0.000 1.099 15 A HN 0.931 nan 8.150 nan 0.000 0.516 16 T N 1.377 115.953 114.554 0.037 0.000 2.862 16 T HA 0.343 4.693 4.350 -0.000 0.000 0.276 16 T C 1.607 176.348 174.700 0.068 0.000 0.974 16 T CA -0.358 61.773 62.100 0.053 0.000 0.966 16 T CB 1.124 70.029 68.868 0.061 0.000 1.072 16 T HN 0.368 nan 8.240 nan 0.000 0.538 17 V N 0.241 120.216 119.914 0.102 0.000 2.490 17 V HA -0.128 3.992 4.120 -0.000 0.000 0.250 17 V C 2.288 178.466 176.094 0.141 0.000 1.061 17 V CA 1.793 64.178 62.300 0.141 0.000 1.064 17 V CB -0.904 31.069 31.823 0.249 0.000 0.670 17 V HN 0.878 nan 8.190 nan 0.000 0.461 18 D N 0.745 121.235 120.400 0.151 0.000 2.149 18 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 18 D C 1.580 177.915 176.300 0.058 0.000 0.990 18 D CA 1.186 55.266 54.000 0.132 0.000 0.839 18 D CB -0.192 40.682 40.800 0.125 0.000 0.948 18 D HN 0.414 nan 8.370 nan 0.000 0.460 19 D N -0.576 119.852 120.400 0.046 0.000 2.358 19 D HA -0.031 4.609 4.640 -0.000 0.000 0.241 19 D C 0.883 177.187 176.300 0.005 0.000 1.094 19 D CA 0.187 54.201 54.000 0.024 0.000 0.907 19 D CB 1.094 41.908 40.800 0.024 0.000 0.893 19 D HN 0.130 nan 8.370 nan 0.000 0.528 20 V N 0.087 119.997 119.914 -0.007 0.000 3.777 20 V HA 0.006 4.126 4.120 -0.000 0.000 0.285 20 V C 1.111 177.164 176.094 -0.067 0.000 1.668 20 V CA -0.121 62.163 62.300 -0.027 0.000 1.178 20 V CB 0.597 32.410 31.823 -0.016 0.000 0.962 20 V HN -0.055 nan 8.190 nan 0.000 0.411 21 I N 0.791 121.297 120.570 -0.108 0.000 2.500 21 I HA -0.017 4.153 4.170 -0.000 0.000 0.252 21 I C 2.029 178.004 176.117 -0.237 0.000 1.142 21 I CA 1.953 63.100 61.300 -0.254 0.000 1.451 21 I CB -0.120 37.597 38.000 -0.472 0.000 1.093 21 I HN 0.370 nan 8.210 nan 0.000 0.430 22 E N 0.138 120.248 120.200 -0.150 0.000 2.097 22 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 22 E C 2.059 178.625 176.600 -0.058 0.000 1.000 22 E CA 1.428 57.767 56.400 -0.102 0.000 0.804 22 E CB -0.216 29.450 29.700 -0.058 0.000 0.740 22 E HN 0.646 nan 8.360 nan 0.000 0.454 23 Q N 0.290 120.072 119.800 -0.030 0.000 2.016 23 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 23 Q C 2.544 178.601 176.000 0.095 0.000 0.978 23 Q CA 1.241 57.066 55.803 0.037 0.000 0.833 23 Q CB -0.221 28.532 28.738 0.024 0.000 0.895 23 Q HN 0.207 nan 8.270 nan 0.000 0.427 24 V N 1.269 121.179 119.914 -0.007 0.000 2.392 24 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 24 V C 2.365 178.498 176.094 0.065 0.000 1.059 24 V CA 1.792 64.087 62.300 -0.008 0.000 1.051 24 V CB -0.583 31.180 31.823 -0.100 0.000 0.658 24 V HN 0.321 nan 8.190 nan 0.000 0.455 25 M N 1.688 121.259 119.600 -0.049 0.000 2.106 25 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 25 M C 2.119 178.424 176.300 0.008 0.000 1.068 25 M CA 2.533 57.792 55.300 -0.067 0.000 1.100 25 M CB -0.871 31.648 32.600 -0.134 0.000 1.351 25 M HN 0.566 nan 8.290 nan 0.000 0.404 26 T N -2.692 111.881 114.554 0.032 0.000 3.215 26 T HA -0.044 4.306 4.350 -0.000 0.000 0.254 26 T C 0.739 175.353 174.700 -0.144 0.000 1.149 26 T CA 0.557 62.623 62.100 -0.056 0.000 1.042 26 T CB -0.724 68.081 68.868 -0.105 0.000 0.966 26 T HN 0.485 nan 8.240 nan 0.000 0.534 27 Y N 0.541 120.815 120.300 -0.042 0.000 2.467 27 Y HA 0.500 5.050 4.550 -0.000 0.000 0.250 27 Y C 0.654 176.541 175.900 -0.022 0.000 1.155 27 Y CA -1.322 56.760 58.100 -0.029 0.000 1.249 27 Y CB 0.281 38.726 38.460 -0.026 0.000 1.146 27 Y HN 0.282 nan 8.280 nan 0.000 0.524 28 I N 0.234 120.862 120.570 0.097 0.000 2.291 28 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 28 I C 1.205 177.333 176.117 0.018 0.000 1.050 28 I CA 0.033 61.367 61.300 0.058 0.000 1.245 28 I CB 1.416 39.447 38.000 0.053 0.000 1.405 28 I HN -0.006 nan 8.210 nan 0.000 0.478 29 T N 2.563 117.122 114.554 0.010 0.000 2.953 29 T HA -0.049 4.301 4.350 -0.000 0.000 0.247 29 T C 0.835 175.525 174.700 -0.016 0.000 1.029 29 T CA 0.272 62.362 62.100 -0.018 0.000 1.144 29 T CB 0.006 68.859 68.868 -0.026 0.000 0.870 29 T HN 0.587 nan 8.240 nan 0.000 0.446 30 D N 2.305 122.706 120.400 0.002 0.000 2.570 30 D HA 0.035 4.675 4.640 -0.000 0.000 0.243 30 D C -1.660 174.646 176.300 0.010 0.000 1.171 30 D CA -1.546 52.457 54.000 0.005 0.000 0.879 30 D CB 1.411 42.224 40.800 0.021 0.000 1.143 30 D HN 0.172 nan 8.370 nan 0.000 0.511 31 P HA -0.152 nan 4.420 nan 0.000 0.218 31 P C 0.979 178.302 177.300 0.038 0.000 1.146 31 P CA 1.153 64.257 63.100 0.006 0.000 0.813 31 P CB 0.290 31.984 31.700 -0.009 0.000 0.778 32 K N -0.859 119.565 120.400 0.040 0.000 2.418 32 K HA -0.021 4.299 4.320 -0.000 0.000 0.195 32 K C 1.337 177.976 176.600 0.066 0.000 1.035 32 K CA 0.927 57.247 56.287 0.055 0.000 1.003 32 K CB -0.421 32.108 32.500 0.049 0.000 0.793 32 K HN -0.003 nan 8.250 nan 0.000 0.494 33 D N -0.553 119.886 120.400 0.065 0.000 2.277 33 D HA 0.011 4.651 4.640 -0.000 0.000 0.209 33 D C 1.619 177.980 176.300 0.103 0.000 0.970 33 D CA 0.275 54.324 54.000 0.081 0.000 0.874 33 D CB 0.297 41.141 40.800 0.073 0.000 0.982 33 D HN -0.012 nan 8.370 nan 0.000 0.504 34 R N 1.063 121.615 120.500 0.088 0.000 2.073 34 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 34 R C 1.702 178.085 176.300 0.138 0.000 1.134 34 R CA 0.912 57.075 56.100 0.104 0.000 0.952 34 R CB -0.894 29.450 30.300 0.073 0.000 0.850 34 R HN 0.234 nan 8.270 nan 0.000 0.433 35 D N 0.198 120.673 120.400 0.124 0.000 2.149 35 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 35 D C 1.604 177.988 176.300 0.139 0.000 1.001 35 D CA 1.915 55.996 54.000 0.135 0.000 0.849 35 D CB 0.132 40.996 40.800 0.108 0.000 0.939 35 D HN 0.103 nan 8.370 nan 0.000 0.449 36 S N -0.626 115.150 115.700 0.127 0.000 2.362 36 S HA 0.017 4.487 4.470 -0.000 0.000 0.221 36 S C 2.098 176.800 174.600 0.169 0.000 1.032 36 S CA 0.688 58.962 58.200 0.123 0.000 0.973 36 S CB -0.339 62.921 63.200 0.101 0.000 0.849 36 S HN 0.403 nan 8.310 nan 0.000 0.465 37 A N 2.145 125.098 122.820 0.222 0.000 1.986 37 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 37 A C 2.281 180.103 177.584 0.396 0.000 1.171 37 A CA 2.012 54.271 52.037 0.369 0.000 0.640 37 A CB -0.937 18.259 19.000 0.327 0.000 0.811 37 A HN 0.622 nan 8.150 nan 0.000 0.451 38 S N -0.956 114.917 115.700 0.289 0.000 2.481 38 S HA 0.097 4.567 4.470 -0.000 0.000 0.231 38 S C 1.378 176.193 174.600 0.357 0.000 0.996 38 S CA 1.095 59.490 58.200 0.325 0.000 0.942 38 S CB -0.319 63.051 63.200 0.284 0.000 0.768 38 S HN 0.436 nan 8.310 nan 0.000 0.520 39 L N 1.545 122.905 121.223 0.229 0.000 2.640 39 L HA 0.297 4.637 4.340 -0.000 0.000 0.230 39 L C 2.088 178.987 176.870 0.047 0.000 1.123 39 L CA 0.142 55.060 54.840 0.130 0.000 0.900 39 L CB 0.604 42.714 42.059 0.086 0.000 1.146 39 L HN 0.389 nan 8.230 nan 0.000 0.484 40 V N -2.268 117.662 119.914 0.026 0.000 2.951 40 V HA 0.055 4.175 4.120 -0.000 0.000 0.255 40 V C 0.650 176.619 176.094 -0.209 0.000 1.088 40 V CA 0.546 62.738 62.300 -0.181 0.000 1.109 40 V CB -0.380 31.144 31.823 -0.499 0.000 0.724 40 V HN 0.559 nan 8.190 nan 0.000 0.471 41 C N -2.140 117.126 119.300 -0.056 0.000 2.959 41 C HA 0.389 4.849 4.460 -0.000 0.000 0.327 41 C C 1.195 176.263 174.990 0.129 0.000 1.315 41 C CA -0.285 58.722 59.018 -0.018 0.000 1.216 41 C CB 0.856 28.533 27.740 -0.105 0.000 1.343 41 C HN 0.367 nan 8.230 nan 0.000 0.454 42 R N 0.251 120.811 120.500 0.101 0.000 2.081 42 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 42 R C 2.504 178.960 176.300 0.261 0.000 1.131 42 R CA 1.881 58.066 56.100 0.141 0.000 0.960 42 R CB -0.269 30.074 30.300 0.072 0.000 0.856 42 R HN 0.706 nan 8.270 nan 0.000 0.436 43 R N -0.136 120.520 120.500 0.261 0.000 2.075 43 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 43 R C 1.833 178.338 176.300 0.341 0.000 1.126 43 R CA 1.395 57.661 56.100 0.277 0.000 0.963 43 R CB -0.148 30.312 30.300 0.266 0.000 0.858 43 R HN 0.234 nan 8.270 nan 0.000 0.435 44 W N 0.156 121.519 121.300 0.105 0.000 2.342 44 W HA -0.194 4.466 4.660 0.000 0.000 0.297 44 W C 2.026 178.618 176.519 0.121 0.000 1.213 44 W CA 0.896 58.300 57.345 0.098 0.000 1.251 44 W CB -0.947 28.568 29.460 0.092 0.000 1.136 44 W HN 0.101 nan 8.180 nan 0.000 0.526 45 F N 1.534 121.636 119.950 0.254 0.000 2.102 45 F HA -0.214 4.313 4.527 0.000 0.000 0.298 45 F C 2.387 178.244 175.800 0.094 0.000 1.105 45 F CA 2.395 60.482 58.000 0.146 0.000 1.239 45 F CB -0.615 38.441 39.000 0.094 0.000 0.991 45 F HN -0.221 nan 8.300 nan 0.000 0.474 46 K N 0.463 120.939 120.400 0.127 0.000 2.057 46 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 46 K C 2.068 178.618 176.600 -0.084 0.000 1.049 46 K CA 1.966 58.238 56.287 -0.024 0.000 0.931 46 K CB -0.326 32.242 32.500 0.113 0.000 0.714 46 K HN 0.409 nan 8.250 nan 0.000 0.440 47 I N 0.761 121.311 120.570 -0.034 0.000 2.394 47 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 47 I C 2.033 178.104 176.117 -0.076 0.000 1.136 47 I CA 1.419 62.679 61.300 -0.067 0.000 1.425 47 I CB -0.282 37.648 38.000 -0.116 0.000 1.079 47 I HN 0.319 nan 8.210 nan 0.000 0.425 48 D N 0.211 120.566 120.400 -0.074 0.000 2.097 48 D HA -0.235 4.405 4.640 -0.000 0.000 0.197 48 D C 2.292 178.586 176.300 -0.011 0.000 0.984 48 D CA 1.604 55.586 54.000 -0.031 0.000 0.826 48 D CB -0.019 40.790 40.800 0.015 0.000 0.973 48 D HN 0.144 nan 8.370 nan 0.000 0.460 49 S N -0.435 115.149 115.700 -0.192 0.000 2.365 49 S HA -0.271 4.198 4.470 -0.000 0.000 0.225 49 S C 1.807 176.414 174.600 0.012 0.000 1.039 49 S CA 1.743 59.822 58.200 -0.202 0.000 1.033 49 S CB -0.518 62.389 63.200 -0.488 0.000 0.887 49 S HN 0.411 nan 8.310 nan 0.000 0.447 50 E N -0.368 119.816 120.200 -0.026 0.000 2.481 50 E HA 0.026 4.376 4.350 -0.000 0.000 0.195 50 E C 1.704 178.312 176.600 0.015 0.000 1.047 50 E CA 1.067 57.470 56.400 0.005 0.000 0.867 50 E CB 0.196 29.888 29.700 -0.013 0.000 0.858 50 E HN 0.862 nan 8.360 nan 0.000 0.513 51 T N -2.501 112.062 114.554 0.014 0.000 2.975 51 T HA 0.172 4.522 4.350 -0.000 0.000 0.257 51 T C 0.849 175.540 174.700 -0.015 0.000 1.003 51 T CA -0.547 61.548 62.100 -0.008 0.000 0.932 51 T CB 0.200 69.050 68.868 -0.030 0.000 1.087 51 T HN -0.181 nan 8.240 nan 0.000 0.512 52 R N 2.038 122.544 120.500 0.010 0.000 2.585 52 R HA 0.138 4.478 4.340 -0.000 0.000 0.275 52 R C 0.963 177.188 176.300 -0.124 0.000 1.018 52 R CA 0.646 56.685 56.100 -0.101 0.000 1.072 52 R CB 0.185 30.305 30.300 -0.299 0.000 0.953 52 R HN 0.426 nan 8.270 nan 0.000 0.419 53 E N 1.132 121.259 120.200 -0.121 0.000 2.256 53 E HA -0.002 4.348 4.350 -0.000 0.000 0.198 53 E C -0.172 176.380 176.600 -0.079 0.000 0.908 53 E CA 0.163 56.515 56.400 -0.081 0.000 0.915 53 E CB 0.199 29.869 29.700 -0.048 0.000 0.890 53 E HN 0.488 nan 8.360 nan 0.000 0.484 54 H N 0.584 119.537 119.070 -0.195 0.000 2.529 54 H HA 0.457 5.012 4.556 -0.000 0.000 0.348 54 H C -1.448 173.730 175.328 -0.251 0.000 1.079 54 H CA -0.513 55.424 56.048 -0.185 0.000 1.198 54 H CB 1.253 30.936 29.762 -0.132 0.000 1.521 54 H HN -0.183 nan 8.280 nan 0.000 0.514 55 V N 4.169 123.859 119.914 -0.374 0.000 2.789 55 V HA 0.362 4.482 4.120 -0.000 0.000 0.311 55 V C -0.250 175.718 176.094 -0.212 0.000 1.073 55 V CA -0.658 61.511 62.300 -0.219 0.000 0.921 55 V CB 2.247 33.902 31.823 -0.280 0.000 1.009 55 V HN 0.896 nan 8.190 nan 0.000 0.426 56 T N 5.292 119.832 114.554 -0.024 0.000 2.841 56 T HA 0.567 4.917 4.350 -0.000 0.000 0.285 56 T C -0.458 174.212 174.700 -0.050 0.000 0.991 56 T CA -0.377 61.701 62.100 -0.036 0.000 0.966 56 T CB 1.168 70.064 68.868 0.047 0.000 0.962 56 T HN 0.485 nan 8.240 nan 0.000 0.438 57 M N 2.751 122.286 119.600 -0.109 0.000 2.061 57 M HA 0.410 4.890 4.480 -0.000 0.000 0.346 57 M C 1.260 177.505 176.300 -0.091 0.000 1.112 57 M CA -0.797 54.455 55.300 -0.080 0.000 1.021 57 M CB 1.473 33.992 32.600 -0.135 0.000 1.530 57 M HN 0.799 nan 8.290 nan 0.000 0.437 58 A N 4.451 127.245 122.820 -0.044 0.000 2.067 58 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 58 A C 0.784 178.331 177.584 -0.062 0.000 1.158 58 A CA 1.013 53.004 52.037 -0.077 0.000 0.661 58 A CB 0.275 19.234 19.000 -0.068 0.000 0.801 58 A HN 0.733 nan 8.150 nan 0.000 0.452 59 L N 0.011 121.238 121.223 0.007 0.000 2.476 59 L HA 0.195 4.535 4.340 -0.000 0.000 0.269 59 L C 0.996 177.879 176.870 0.023 0.000 0.965 59 L CA -0.704 54.164 54.840 0.047 0.000 0.845 59 L CB 1.823 43.968 42.059 0.143 0.000 1.259 59 L HN 0.486 nan 8.230 nan 0.000 0.403 60 C N 1.659 120.912 119.300 -0.079 0.000 2.432 60 C HA -0.093 4.367 4.460 -0.000 0.000 0.280 60 C C 1.756 176.792 174.990 0.076 0.000 1.353 60 C CA 0.179 59.128 59.018 -0.116 0.000 1.766 60 C CB -1.330 26.224 27.740 -0.310 0.000 1.924 60 C HN 0.774 nan 8.230 nan 0.000 0.509 61 Y N 0.973 121.369 120.300 0.159 0.000 2.502 61 Y HA 0.063 4.613 4.550 0.000 0.000 0.295 61 Y C 2.718 178.759 175.900 0.235 0.000 1.193 61 Y CA 0.786 58.983 58.100 0.160 0.000 1.295 61 Y CB -0.306 38.160 38.460 0.010 0.000 1.059 61 Y HN 0.333 nan 8.280 nan 0.000 0.514 62 T N -0.361 114.396 114.554 0.339 0.000 3.043 62 T HA 0.380 4.730 4.350 -0.000 0.000 0.263 62 T C 0.403 175.295 174.700 0.321 0.000 1.094 62 T CA 0.686 62.998 62.100 0.353 0.000 1.127 62 T CB -0.100 68.941 68.868 0.289 0.000 0.905 62 T HN 0.278 nan 8.240 nan 0.000 0.490 63 A N -0.047 122.968 122.820 0.326 0.000 2.604 63 A HA 0.583 4.903 4.320 -0.000 0.000 0.295 63 A C -0.240 177.493 177.584 0.247 0.000 1.067 63 A CA -0.860 51.342 52.037 0.276 0.000 0.683 63 A CB 0.681 19.834 19.000 0.254 0.000 1.281 63 A HN 0.173 nan 8.150 nan 0.000 0.407 64 T N 2.299 116.925 114.554 0.120 0.000 2.946 64 T HA 0.294 4.643 4.350 -0.000 0.000 0.311 64 T C -1.882 172.711 174.700 -0.180 0.000 1.063 64 T CA -0.145 61.929 62.100 -0.043 0.000 1.139 64 T CB 0.277 69.134 68.868 -0.019 0.000 0.994 64 T HN 0.404 nan 8.240 nan 0.000 0.547 65 P HA -0.022 nan 4.420 nan 0.000 0.226 65 P C 1.042 178.224 177.300 -0.196 0.000 1.153 65 P CA 0.543 63.180 63.100 -0.772 0.000 0.777 65 P CB 0.132 31.072 31.700 -1.266 0.000 0.794 66 D N -0.006 120.300 120.400 -0.156 0.000 2.097 66 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 66 D C 2.131 178.436 176.300 0.008 0.000 0.989 66 D CA 1.038 55.006 54.000 -0.053 0.000 0.827 66 D CB -0.319 40.452 40.800 -0.049 0.000 0.966 66 D HN -0.107 nan 8.370 nan 0.000 0.456 67 R N -0.494 120.021 120.500 0.026 0.000 2.091 67 R HA -0.153 4.186 4.340 -0.000 0.000 0.238 67 R C 2.350 178.699 176.300 0.081 0.000 1.136 67 R CA 1.364 57.499 56.100 0.058 0.000 0.959 67 R CB -0.463 29.888 30.300 0.085 0.000 0.856 67 R HN 0.321 nan 8.270 nan 0.000 0.437 68 L N 0.561 121.874 121.223 0.150 0.000 2.005 68 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 68 L C 2.308 179.283 176.870 0.175 0.000 1.072 68 L CA 2.443 57.418 54.840 0.224 0.000 0.744 68 L CB -0.603 41.690 42.059 0.391 0.000 0.895 68 L HN 0.314 nan 8.230 nan 0.000 0.433 69 S N -0.584 115.201 115.700 0.141 0.000 2.447 69 S HA -0.239 4.231 4.470 -0.000 0.000 0.233 69 S C 2.175 176.813 174.600 0.063 0.000 1.006 69 S CA 1.008 59.274 58.200 0.110 0.000 0.957 69 S CB -0.683 62.566 63.200 0.082 0.000 0.773 69 S HN 0.642 nan 8.310 nan 0.000 0.507 70 R N 1.227 121.748 120.500 0.035 0.000 2.062 70 R HA 0.089 4.429 4.340 -0.000 0.000 0.229 70 R C 2.544 178.819 176.300 -0.042 0.000 1.128 70 R CA 1.198 57.303 56.100 0.009 0.000 0.960 70 R CB -0.312 29.997 30.300 0.015 0.000 0.855 70 R HN 0.388 nan 8.270 nan 0.000 0.432 71 R N -0.238 120.190 120.500 -0.120 0.000 2.092 71 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 71 R C -0.098 175.819 176.300 -0.638 0.000 1.119 71 R CA 1.467 57.325 56.100 -0.404 0.000 0.970 71 R CB 0.063 30.036 30.300 -0.546 0.000 0.864 71 R HN 0.298 nan 8.270 nan 0.000 0.440 72 F N -0.472 119.482 119.950 0.006 0.000 2.593 72 F HA 0.366 4.893 4.527 -0.000 0.000 0.336 72 F C -1.815 173.983 175.800 -0.003 0.000 1.491 72 F CA -2.182 55.810 58.000 -0.014 0.000 1.114 72 F CB 1.932 40.928 39.000 -0.005 0.000 1.468 72 F HN -0.024 nan 8.300 nan 0.000 0.579 73 P HA -0.149 nan 4.420 nan 0.000 0.220 73 P C 0.002 177.347 177.300 0.075 0.000 1.144 73 P CA 1.602 64.751 63.100 0.082 0.000 0.800 73 P CB 0.109 31.836 31.700 0.045 0.000 0.772 74 N N -1.363 117.386 118.700 0.081 0.000 2.338 74 N HA 0.167 4.907 4.740 -0.000 0.000 0.251 74 N C -0.260 175.264 175.510 0.023 0.000 1.199 74 N CA -0.354 52.721 53.050 0.042 0.000 0.879 74 N CB 0.047 38.551 38.487 0.028 0.000 1.159 74 N HN 0.043 nan 8.380 nan 0.000 0.514 75 L N 1.193 122.435 121.223 0.031 0.000 2.593 75 L HA -0.051 4.289 4.340 -0.000 0.000 0.287 75 L C 1.385 178.232 176.870 -0.038 0.000 1.243 75 L CA 0.545 55.368 54.840 -0.029 0.000 0.890 75 L CB 0.532 42.574 42.059 -0.028 0.000 1.134 75 L HN 0.317 nan 8.230 nan 0.000 0.502 76 R N 1.021 121.485 120.500 -0.060 0.000 2.250 76 R HA 0.171 4.511 4.340 -0.000 0.000 0.194 76 R C 0.312 176.569 176.300 -0.073 0.000 0.927 76 R CA 0.194 56.264 56.100 -0.051 0.000 1.052 76 R CB 0.608 30.886 30.300 -0.038 0.000 1.055 76 R HN 0.552 nan 8.270 nan 0.000 0.537 77 S N 0.581 116.210 115.700 -0.117 0.000 2.536 77 S HA 0.634 5.104 4.470 -0.000 0.000 0.287 77 S C -1.693 172.670 174.600 -0.395 0.000 1.101 77 S CA -0.645 57.445 58.200 -0.184 0.000 0.950 77 S CB 1.131 64.304 63.200 -0.044 0.000 1.056 77 S HN 0.065 nan 8.310 nan 0.000 0.481 78 L N 3.547 124.548 121.223 -0.371 0.000 2.409 78 L HA 0.751 5.091 4.340 -0.000 0.000 0.262 78 L C -1.311 175.353 176.870 -0.344 0.000 0.992 78 L CA -0.280 54.323 54.840 -0.395 0.000 0.817 78 L CB 1.958 43.889 42.059 -0.213 0.000 1.350 78 L HN 0.747 nan 8.230 nan 0.000 0.411 79 K N 4.990 125.191 120.400 -0.332 0.000 2.601 79 K HA 0.637 4.957 4.320 -0.000 0.000 0.249 79 K C -2.157 174.298 176.600 -0.242 0.000 0.966 79 K CA -0.499 55.639 56.287 -0.249 0.000 0.827 79 K CB 1.162 33.530 32.500 -0.219 0.000 1.178 79 K HN 0.720 nan 8.250 nan 0.000 0.437 80 L N 4.396 125.507 121.223 -0.187 0.000 2.341 80 L HA 0.523 4.863 4.340 -0.000 0.000 0.278 80 L C -0.504 176.266 176.870 -0.166 0.000 1.005 80 L CA -0.993 53.700 54.840 -0.244 0.000 0.818 80 L CB 1.935 43.770 42.059 -0.374 0.000 1.259 80 L HN 0.506 nan 8.230 nan 0.000 0.418 81 K N 1.328 121.619 120.400 -0.181 0.000 2.164 81 K HA 0.605 4.925 4.320 -0.000 0.000 0.258 81 K C 0.312 176.854 176.600 -0.096 0.000 0.951 81 K CA -0.510 55.700 56.287 -0.129 0.000 0.844 81 K CB 2.538 34.953 32.500 -0.142 0.000 1.099 81 K HN 0.737 nan 8.250 nan 0.000 0.435 82 G N 2.007 110.783 108.800 -0.040 0.000 2.583 82 G HA2 0.082 4.042 3.960 -0.000 0.000 0.214 82 G HA3 0.082 4.042 3.960 -0.000 0.000 0.214 82 G C -0.504 174.486 174.900 0.150 0.000 2.072 82 G CA -0.365 44.775 45.100 0.067 0.000 0.745 82 G HN 0.416 nan 8.290 nan 0.000 0.762 83 K N 1.837 122.295 120.400 0.097 0.000 2.527 83 K HA 0.142 4.462 4.320 -0.000 0.000 0.278 83 K C -2.303 174.122 176.600 -0.291 0.000 0.981 83 K CA -0.802 55.328 56.287 -0.262 0.000 1.009 83 K CB 0.445 32.828 32.500 -0.195 0.000 0.895 83 K HN 0.115 nan 8.250 nan 0.000 0.493 84 P HA 0.026 nan 4.420 nan 0.000 0.271 84 P C 0.239 177.362 177.300 -0.295 0.000 1.233 84 P CA -0.191 62.759 63.100 -0.251 0.000 0.789 84 P CB 0.514 32.015 31.700 -0.331 0.000 0.951 85 R N 1.264 121.620 120.500 -0.239 0.000 2.170 85 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 85 R C 2.023 178.241 176.300 -0.138 0.000 1.145 85 R CA 1.790 57.790 56.100 -0.167 0.000 0.984 85 R CB -0.893 29.351 30.300 -0.092 0.000 0.869 85 R HN 0.534 nan 8.270 nan 0.000 0.455 86 A N 0.961 123.536 122.820 -0.409 0.000 2.024 86 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 86 A C 2.314 179.798 177.584 -0.167 0.000 1.164 86 A CA 1.601 53.386 52.037 -0.419 0.000 0.643 86 A CB -0.533 17.692 19.000 -1.290 0.000 0.806 86 A HN 0.418 nan 8.150 nan 0.000 0.451 87 A N -0.553 122.116 122.820 -0.252 0.000 2.032 87 A HA -0.152 4.168 4.320 -0.000 0.000 0.221 87 A C 2.070 179.571 177.584 -0.139 0.000 1.165 87 A CA 1.740 53.671 52.037 -0.177 0.000 0.645 87 A CB -0.569 18.310 19.000 -0.202 0.000 0.807 87 A HN 0.553 nan 8.150 nan 0.000 0.453 88 M N -1.702 117.784 119.600 -0.191 0.000 2.686 88 M HA 0.071 4.551 4.480 -0.000 0.000 0.246 88 M C -0.153 175.738 176.300 -0.681 0.000 1.096 88 M CA 0.770 55.816 55.300 -0.423 0.000 1.076 88 M CB -0.007 32.262 32.600 -0.552 0.000 1.504 88 M HN 0.457 nan 8.290 nan 0.000 0.524 89 F N -0.242 119.663 119.950 -0.075 0.000 2.814 89 F HA 0.307 4.834 4.527 0.000 0.000 0.326 89 F C 0.269 176.062 175.800 -0.012 0.000 1.159 89 F CA -0.781 57.199 58.000 -0.033 0.000 1.234 89 F CB -0.098 38.891 39.000 -0.020 0.000 1.016 89 F HN 0.087 nan 8.300 nan 0.000 0.510 90 N N 1.731 120.467 118.700 0.060 0.000 2.705 90 N HA -0.205 4.535 4.740 -0.000 0.000 0.255 90 N C 0.421 175.972 175.510 0.070 0.000 1.008 90 N CA 0.627 53.703 53.050 0.042 0.000 0.742 90 N CB -1.205 37.311 38.487 0.048 0.000 0.906 90 N HN 0.467 nan 8.380 nan 0.000 0.541 91 L N -1.045 120.221 121.223 0.072 0.000 2.781 91 L HA 0.293 4.633 4.340 -0.000 0.000 0.245 91 L C 0.443 177.417 176.870 0.173 0.000 1.118 91 L CA 0.206 55.127 54.840 0.135 0.000 0.918 91 L CB 0.392 42.556 42.059 0.174 0.000 1.246 91 L HN 0.110 nan 8.230 nan 0.000 0.526 92 I N 1.100 121.689 120.570 0.032 0.000 2.404 92 I HA 0.361 4.531 4.170 -0.000 0.000 0.293 92 I C -2.173 173.961 176.117 0.028 0.000 0.992 92 I CA -2.509 58.801 61.300 0.017 0.000 1.149 92 I CB 1.459 39.345 38.000 -0.189 0.000 1.315 92 I HN -0.294 nan 8.210 nan 0.000 0.446 93 P HA -0.027 nan 4.420 nan 0.000 0.266 93 P C 0.709 178.081 177.300 0.120 0.000 1.193 93 P CA 0.244 63.402 63.100 0.098 0.000 0.770 93 P CB 0.911 32.706 31.700 0.157 0.000 0.836 94 E N 3.542 123.790 120.200 0.080 0.000 2.077 94 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 94 E C 1.130 177.794 176.600 0.107 0.000 0.989 94 E CA 1.801 58.244 56.400 0.072 0.000 0.800 94 E CB -0.705 29.018 29.700 0.040 0.000 0.746 94 E HN 0.421 nan 8.360 nan 0.000 0.452 95 N N -0.280 118.493 118.700 0.122 0.000 2.515 95 N HA -0.100 4.640 4.740 -0.000 0.000 0.191 95 N C 1.253 176.839 175.510 0.126 0.000 1.182 95 N CA 0.527 53.654 53.050 0.128 0.000 0.879 95 N CB -1.114 37.447 38.487 0.123 0.000 0.984 95 N HN 0.371 nan 8.380 nan 0.000 0.453 96 W N 1.484 122.776 121.300 -0.013 0.000 2.318 96 W HA 0.048 4.708 4.660 -0.000 0.000 0.313 96 W C 0.727 177.233 176.519 -0.022 0.000 1.221 96 W CA 2.272 59.617 57.345 0.001 0.000 1.266 96 W CB -0.105 29.367 29.460 0.019 0.000 1.150 96 W HN 0.269 nan 8.180 nan 0.000 0.496 97 G N -3.281 105.445 108.800 -0.123 0.000 2.352 97 G HA2 0.388 4.348 3.960 -0.000 0.000 0.283 97 G HA3 0.388 4.348 3.960 -0.000 0.000 0.283 97 G C 0.237 175.053 174.900 -0.140 0.000 1.308 97 G CA -0.027 44.805 45.100 -0.447 0.000 0.892 97 G HN 1.018 nan 8.290 nan 0.000 0.504 98 G N -1.800 106.973 108.800 -0.045 0.000 2.138 98 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.193 98 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.193 98 G C 0.300 175.110 174.900 -0.151 0.000 0.998 98 G CA 0.415 45.476 45.100 -0.064 0.000 0.668 98 G HN 1.377 nan 8.290 nan 0.000 0.516 99 Y N -0.821 119.504 120.300 0.041 0.000 2.610 99 Y HA 0.297 4.847 4.550 -0.000 0.000 0.332 99 Y C 1.567 177.463 175.900 -0.007 0.000 1.201 99 Y CA 0.709 58.816 58.100 0.012 0.000 1.465 99 Y CB 1.415 39.894 38.460 0.032 0.000 1.283 99 Y HN 0.012 nan 8.280 nan 0.000 0.563 100 V N 2.383 122.338 119.914 0.068 0.000 3.565 100 V HA -0.140 3.980 4.120 -0.000 0.000 0.260 100 V C 1.851 177.986 176.094 0.068 0.000 1.231 100 V CA 1.459 63.713 62.300 -0.077 0.000 1.100 100 V CB -0.404 31.049 31.823 -0.617 0.000 0.807 100 V HN 1.114 nan 8.190 nan 0.000 0.454 101 T N -0.455 114.137 114.554 0.064 0.000 2.653 101 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 101 T C -0.055 174.654 174.700 0.015 0.000 1.035 101 T CA 1.899 64.019 62.100 0.034 0.000 1.154 101 T CB -1.993 66.879 68.868 0.006 0.000 0.862 101 T HN 0.448 nan 8.240 nan 0.000 0.441 102 P HA -0.016 nan 4.420 nan 0.000 0.219 102 P C 0.743 177.892 177.300 -0.253 0.000 1.146 102 P CA 0.993 63.975 63.100 -0.196 0.000 0.808 102 P CB -0.339 31.158 31.700 -0.338 0.000 0.779 103 W N -0.468 120.818 121.300 -0.023 0.000 2.494 103 W HA -0.025 4.635 4.660 -0.000 0.000 0.286 103 W C 2.337 178.879 176.519 0.037 0.000 1.218 103 W CA 0.603 57.951 57.345 0.005 0.000 1.313 103 W CB -1.001 28.452 29.460 -0.010 0.000 1.105 103 W HN -0.212 nan 8.180 nan 0.000 0.561 104 V N -0.526 119.530 119.914 0.236 0.000 2.453 104 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 104 V C 2.018 178.168 176.094 0.093 0.000 1.048 104 V CA 2.390 64.795 62.300 0.174 0.000 1.049 104 V CB -1.378 30.530 31.823 0.140 0.000 0.672 104 V HN 0.234 nan 8.190 nan 0.000 0.457 105 T N -2.295 112.286 114.554 0.045 0.000 3.035 105 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 105 T C 1.662 176.367 174.700 0.008 0.000 1.109 105 T CA 1.495 63.601 62.100 0.011 0.000 1.119 105 T CB -0.229 68.628 68.868 -0.017 0.000 0.900 105 T HN 0.597 nan 8.240 nan 0.000 0.503 106 E N 1.330 121.542 120.200 0.020 0.000 2.060 106 E HA 0.149 4.499 4.350 -0.000 0.000 0.189 106 E C 1.947 178.589 176.600 0.069 0.000 0.974 106 E CA 0.608 57.021 56.400 0.023 0.000 0.808 106 E CB -0.534 29.162 29.700 -0.006 0.000 0.768 106 E HN 0.598 nan 8.360 nan 0.000 0.453 107 I N 0.289 120.928 120.570 0.115 0.000 2.208 107 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 107 I C 2.454 178.606 176.117 0.058 0.000 1.097 107 I CA 1.361 62.722 61.300 0.101 0.000 1.363 107 I CB -0.399 37.676 38.000 0.124 0.000 1.051 107 I HN 0.141 nan 8.210 nan 0.000 0.413 108 S N 0.588 116.316 115.700 0.048 0.000 2.383 108 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 108 S C 1.636 176.246 174.600 0.017 0.000 1.030 108 S CA 2.071 60.285 58.200 0.024 0.000 1.002 108 S CB -0.385 62.824 63.200 0.015 0.000 0.829 108 S HN 0.537 nan 8.310 nan 0.000 0.467 109 N N -0.584 118.128 118.700 0.019 0.000 2.454 109 N HA 0.186 4.926 4.740 -0.000 0.000 0.177 109 N C 0.642 176.163 175.510 0.018 0.000 1.049 109 N CA 0.374 53.431 53.050 0.012 0.000 0.887 109 N CB 0.242 38.731 38.487 0.004 0.000 1.095 109 N HN 0.293 nan 8.380 nan 0.000 0.446 110 N N -0.046 118.671 118.700 0.029 0.000 2.129 110 N HA 0.185 4.925 4.740 -0.000 0.000 0.222 110 N C -0.448 175.090 175.510 0.045 0.000 1.303 110 N CA 0.150 53.220 53.050 0.033 0.000 0.897 110 N CB 1.362 39.869 38.487 0.033 0.000 1.093 110 N HN 0.048 nan 8.380 nan 0.000 0.501 111 L N 1.416 122.670 121.223 0.051 0.000 2.959 111 L HA 0.371 4.711 4.340 -0.000 0.000 0.236 111 L C 0.904 177.793 176.870 0.032 0.000 1.296 111 L CA -0.205 54.665 54.840 0.051 0.000 1.047 111 L CB 0.498 42.599 42.059 0.069 0.000 1.395 111 L HN -0.303 nan 8.230 nan 0.000 0.492 112 R N 0.081 120.596 120.500 0.024 0.000 2.369 112 R HA -0.119 4.221 4.340 -0.000 0.000 0.200 112 R C 1.528 177.833 176.300 0.008 0.000 1.046 112 R CA 0.613 56.722 56.100 0.014 0.000 1.057 112 R CB -0.226 30.082 30.300 0.012 0.000 0.888 112 R HN 0.400 nan 8.270 nan 0.000 0.474 113 Q N -1.135 118.669 119.800 0.007 0.000 2.185 113 Q HA 0.206 4.546 4.340 -0.000 0.000 0.234 113 Q C -0.701 175.293 176.000 -0.010 0.000 0.819 113 Q CA -0.191 55.611 55.803 -0.001 0.000 0.961 113 Q CB 0.574 29.313 28.738 0.001 0.000 1.140 113 Q HN 0.115 nan 8.270 nan 0.000 0.492 114 L N 2.044 123.261 121.223 -0.010 0.000 2.462 114 L HA 0.073 4.413 4.340 -0.000 0.000 0.272 114 L C 0.772 177.622 176.870 -0.033 0.000 1.166 114 L CA 0.986 55.811 54.840 -0.026 0.000 0.880 114 L CB 0.677 42.724 42.059 -0.020 0.000 1.142 114 L HN 0.220 nan 8.230 nan 0.000 0.473 115 K N 1.292 121.666 120.400 -0.044 0.000 2.412 115 K HA 0.239 4.559 4.320 -0.000 0.000 0.202 115 K C 0.206 176.770 176.600 -0.060 0.000 1.102 115 K CA -0.080 56.181 56.287 -0.043 0.000 1.027 115 K CB 0.541 33.021 32.500 -0.033 0.000 0.931 115 K HN 0.428 nan 8.250 nan 0.000 0.557 116 S N 0.781 116.433 115.700 -0.079 0.000 2.571 116 S HA 0.515 4.985 4.470 -0.000 0.000 0.284 116 S C -1.414 173.093 174.600 -0.156 0.000 1.128 116 S CA -0.551 57.589 58.200 -0.101 0.000 0.970 116 S CB 1.879 65.040 63.200 -0.065 0.000 1.039 116 S HN 0.044 nan 8.310 nan 0.000 0.485 117 V N 5.112 124.893 119.914 -0.222 0.000 2.638 117 V HA 0.509 4.629 4.120 -0.000 0.000 0.306 117 V C -0.765 175.069 176.094 -0.433 0.000 1.052 117 V CA -0.678 61.398 62.300 -0.374 0.000 0.885 117 V CB 1.702 33.217 31.823 -0.513 0.000 0.999 117 V HN 1.011 nan 8.190 nan 0.000 0.424 118 H N 4.691 123.447 119.070 -0.523 0.000 2.800 118 H HA 0.608 5.164 4.556 -0.000 0.000 0.322 118 H C -1.701 173.449 175.328 -0.296 0.000 0.979 118 H CA -0.694 55.134 56.048 -0.367 0.000 1.277 118 H CB 0.863 30.519 29.762 -0.178 0.000 1.484 118 H HN 0.485 nan 8.280 nan 0.000 0.512 119 F N 3.512 123.577 119.950 0.191 0.000 2.436 119 F HA 0.428 4.955 4.527 -0.000 0.000 0.340 119 F C 0.247 176.130 175.800 0.139 0.000 1.113 119 F CA -0.869 57.166 58.000 0.058 0.000 1.022 119 F CB 1.560 40.552 39.000 -0.012 0.000 1.128 119 F HN 0.459 nan 8.300 nan 0.000 0.466 120 R N 2.781 123.405 120.500 0.207 0.000 2.451 120 R HA 0.492 4.831 4.340 -0.000 0.000 0.307 120 R C -0.361 175.961 176.300 0.038 0.000 0.965 120 R CA -0.627 55.538 56.100 0.109 0.000 0.865 120 R CB 0.644 30.928 30.300 -0.027 0.000 1.174 120 R HN 0.739 nan 8.270 nan 0.000 0.455 121 R N 3.454 123.981 120.500 0.044 0.000 3.205 121 R HA -0.199 4.141 4.340 -0.000 0.000 0.249 121 R C -0.609 175.702 176.300 0.019 0.000 0.937 121 R CA 0.979 57.085 56.100 0.010 0.000 0.641 121 R CB -1.274 29.000 30.300 -0.044 0.000 1.114 121 R HN 0.588 nan 8.270 nan 0.000 0.451 122 M N 0.400 120.020 119.600 0.034 0.000 2.775 122 M HA 0.539 5.019 4.480 -0.000 0.000 0.296 122 M C 0.077 176.377 176.300 0.001 0.000 1.248 122 M CA -1.140 54.152 55.300 -0.014 0.000 0.800 122 M CB 1.749 34.287 32.600 -0.102 0.000 1.765 122 M HN -0.038 nan 8.290 nan 0.000 0.472 123 I N 2.595 123.138 120.570 -0.044 0.000 2.337 123 I HA 0.330 4.500 4.170 -0.000 0.000 0.285 123 I C -0.746 175.412 176.117 0.069 0.000 1.041 123 I CA -0.528 60.789 61.300 0.029 0.000 1.199 123 I CB 0.557 38.547 38.000 -0.015 0.000 1.370 123 I HN 0.240 nan 8.210 nan 0.000 0.470 124 V N 5.716 125.710 119.914 0.133 0.000 2.370 124 V HA 0.335 4.455 4.120 -0.000 0.000 0.283 124 V C 0.623 176.852 176.094 0.226 0.000 1.023 124 V CA -0.393 61.970 62.300 0.106 0.000 0.857 124 V CB 1.660 33.509 31.823 0.043 0.000 0.985 124 V HN 0.889 nan 8.190 nan 0.000 0.443 125 S N 2.192 117.982 115.700 0.150 0.000 2.687 125 S HA 0.348 4.818 4.470 -0.000 0.000 0.283 125 S C 0.664 175.346 174.600 0.137 0.000 1.170 125 S CA -0.579 57.716 58.200 0.157 0.000 1.008 125 S CB 1.615 64.878 63.200 0.105 0.000 1.026 125 S HN 0.602 nan 8.310 nan 0.000 0.541 126 D N 0.272 120.753 120.400 0.135 0.000 2.123 126 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 126 D C 1.739 178.075 176.300 0.060 0.000 0.992 126 D CA 1.182 55.244 54.000 0.103 0.000 0.833 126 D CB -0.402 40.453 40.800 0.092 0.000 0.954 126 D HN 0.490 nan 8.370 nan 0.000 0.455 127 L N 1.259 122.512 121.223 0.050 0.000 2.017 127 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 127 L C 1.446 178.329 176.870 0.022 0.000 1.073 127 L CA 2.100 56.957 54.840 0.028 0.000 0.745 127 L CB -0.672 41.398 42.059 0.019 0.000 0.894 127 L HN -0.003 nan 8.230 nan 0.000 0.432 128 D N -0.624 119.793 120.400 0.028 0.000 2.269 128 D HA -0.203 4.437 4.640 -0.000 0.000 0.208 128 D C 2.035 178.353 176.300 0.030 0.000 0.963 128 D CA 1.521 55.537 54.000 0.025 0.000 0.864 128 D CB -0.705 40.110 40.800 0.025 0.000 0.936 128 D HN 0.582 nan 8.370 nan 0.000 0.505 129 L N -1.654 119.582 121.223 0.022 0.000 2.446 129 L HA 0.249 4.589 4.340 -0.000 0.000 0.219 129 L C 1.616 178.483 176.870 -0.006 0.000 1.116 129 L CA 1.060 55.904 54.840 0.007 0.000 0.844 129 L CB -0.375 41.659 42.059 -0.041 0.000 0.970 129 L HN -0.189 nan 8.230 nan 0.000 0.457 130 D N 0.807 121.207 120.400 -0.000 0.000 2.117 130 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 130 D C 2.328 178.591 176.300 -0.060 0.000 0.987 130 D CA 1.335 55.325 54.000 -0.018 0.000 0.829 130 D CB 0.116 40.918 40.800 0.004 0.000 0.961 130 D HN 0.210 nan 8.370 nan 0.000 0.460 131 R N -0.007 120.475 120.500 -0.032 0.000 2.083 131 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 131 R C 2.473 178.754 176.300 -0.032 0.000 1.137 131 R CA 0.844 56.925 56.100 -0.033 0.000 0.951 131 R CB -0.676 29.621 30.300 -0.006 0.000 0.851 131 R HN 0.353 nan 8.270 nan 0.000 0.434 132 L N 0.324 121.545 121.223 -0.003 0.000 1.961 132 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 132 L C 2.510 179.362 176.870 -0.029 0.000 1.072 132 L CA 1.643 56.489 54.840 0.010 0.000 0.749 132 L CB -0.700 41.388 42.059 0.048 0.000 0.889 132 L HN 0.228 nan 8.230 nan 0.000 0.432 133 A N 0.308 123.102 122.820 -0.043 0.000 1.882 133 A HA -0.354 3.966 4.320 -0.000 0.000 0.220 133 A C 2.204 179.700 177.584 -0.146 0.000 1.253 133 A CA 2.747 54.748 52.037 -0.059 0.000 0.664 133 A CB -0.804 18.182 19.000 -0.024 0.000 0.838 133 A HN 0.500 nan 8.150 nan 0.000 0.460 134 K N -0.753 119.476 120.400 -0.285 0.000 2.097 134 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 134 K C 2.254 178.773 176.600 -0.134 0.000 1.049 134 K CA 1.178 57.270 56.287 -0.325 0.000 0.933 134 K CB -0.327 31.974 32.500 -0.333 0.000 0.717 134 K HN 0.502 nan 8.250 nan 0.000 0.442 135 A N 0.836 123.605 122.820 -0.085 0.000 1.968 135 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 135 A C 2.043 179.613 177.584 -0.023 0.000 1.169 135 A CA 1.288 53.301 52.037 -0.040 0.000 0.638 135 A CB -0.077 18.912 19.000 -0.019 0.000 0.812 135 A HN 0.068 nan 8.150 nan 0.000 0.446 136 R N -2.170 118.316 120.500 -0.023 0.000 2.191 136 R HA 0.476 4.816 4.340 -0.000 0.000 0.196 136 R C 1.240 177.537 176.300 -0.006 0.000 0.991 136 R CA 1.052 57.145 56.100 -0.012 0.000 1.075 136 R CB -0.407 29.886 30.300 -0.012 0.000 1.040 136 R HN 0.638 nan 8.270 nan 0.000 0.526 137 A N 0.794 123.613 122.820 -0.001 0.000 5.578 137 A HA -0.382 3.938 4.320 -0.000 0.000 0.312 137 A C 1.106 178.704 177.584 0.023 0.000 1.861 137 A CA 1.719 53.773 52.037 0.029 0.000 0.719 137 A CB -1.732 17.289 19.000 0.036 0.000 1.323 137 A HN 0.404 nan 8.150 nan 0.000 0.387 138 D N -0.280 120.135 120.400 0.024 0.000 2.228 138 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 138 D C 1.237 177.540 176.300 0.005 0.000 0.988 138 D CA 1.612 55.621 54.000 0.015 0.000 0.864 138 D CB -0.412 40.396 40.800 0.014 0.000 0.928 138 D HN 0.503 nan 8.370 nan 0.000 0.469 139 D N -0.418 119.982 120.400 0.001 0.000 2.312 139 D HA -0.048 4.592 4.640 -0.000 0.000 0.211 139 D C 0.542 176.833 176.300 -0.015 0.000 0.964 139 D CA 0.036 54.032 54.000 -0.007 0.000 0.877 139 D CB -0.052 40.744 40.800 -0.008 0.000 0.924 139 D HN 0.155 nan 8.370 nan 0.000 0.515 140 L N 1.472 122.685 121.223 -0.016 0.000 2.454 140 L HA 0.070 4.410 4.340 -0.000 0.000 0.284 140 L C 1.090 177.943 176.870 -0.028 0.000 1.139 140 L CA 0.330 55.153 54.840 -0.030 0.000 0.911 140 L CB 0.286 42.326 42.059 -0.032 0.000 1.262 140 L HN -0.128 nan 8.230 nan 0.000 0.453 141 E N 1.268 121.448 120.200 -0.034 0.000 2.140 141 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 141 E C 0.231 176.807 176.600 -0.040 0.000 0.973 141 E CA 0.730 57.113 56.400 -0.029 0.000 0.829 141 E CB 0.388 30.072 29.700 -0.027 0.000 0.781 141 E HN 0.631 nan 8.360 nan 0.000 0.466 142 T N -0.048 114.471 114.554 -0.059 0.000 2.916 142 T HA 0.492 4.842 4.350 -0.000 0.000 0.298 142 T C -1.746 172.881 174.700 -0.122 0.000 1.031 142 T CA -0.896 61.157 62.100 -0.079 0.000 0.993 142 T CB 1.404 70.228 68.868 -0.073 0.000 1.045 142 T HN -0.028 nan 8.240 nan 0.000 0.454 143 L N 3.800 124.940 121.223 -0.139 0.000 2.406 143 L HA 0.676 5.016 4.340 -0.000 0.000 0.272 143 L C -1.112 175.625 176.870 -0.222 0.000 0.980 143 L CA -0.340 54.380 54.840 -0.199 0.000 0.831 143 L CB 1.585 43.542 42.059 -0.170 0.000 1.253 143 L HN 0.722 nan 8.230 nan 0.000 0.406 144 K N 6.702 126.919 120.400 -0.305 0.000 2.449 144 K HA 0.485 4.805 4.320 -0.000 0.000 0.257 144 K C -1.099 175.347 176.600 -0.257 0.000 0.989 144 K CA -0.456 55.622 56.287 -0.348 0.000 0.916 144 K CB 1.440 33.536 32.500 -0.673 0.000 1.136 144 K HN 0.587 nan 8.250 nan 0.000 0.439 145 L N 3.218 124.354 121.223 -0.144 0.000 2.397 145 L HA 0.160 4.500 4.340 -0.000 0.000 0.263 145 L C -0.136 176.768 176.870 0.057 0.000 1.136 145 L CA -0.528 54.303 54.840 -0.014 0.000 1.019 145 L CB 0.049 42.046 42.059 -0.103 0.000 1.352 145 L HN 0.490 nan 8.230 nan 0.000 0.420 146 D N 4.472 124.919 120.400 0.079 0.000 2.365 146 D HA 0.125 4.765 4.640 -0.000 0.000 0.237 146 D C 0.366 176.735 176.300 0.115 0.000 1.190 146 D CA -0.191 53.865 54.000 0.094 0.000 0.867 146 D CB 0.471 41.378 40.800 0.179 0.000 1.050 146 D HN 0.316 nan 8.370 nan 0.000 0.491 147 K N 1.364 121.823 120.400 0.099 0.000 3.129 147 K HA -0.169 4.151 4.320 -0.000 0.000 0.273 147 K C -0.248 176.407 176.600 0.091 0.000 1.123 147 K CA 0.347 56.674 56.287 0.067 0.000 0.800 147 K CB -2.329 30.180 32.500 0.014 0.000 1.238 147 K HN 0.398 nan 8.250 nan 0.000 0.492 148 C N 0.279 119.682 119.300 0.172 0.000 2.328 148 C HA 0.709 5.169 4.460 -0.000 0.000 0.378 148 C C 1.160 176.283 174.990 0.222 0.000 1.249 148 C CA -0.052 59.090 59.018 0.206 0.000 2.204 148 C CB 1.458 29.363 27.740 0.274 0.000 2.218 148 C HN 0.626 nan 8.230 nan 0.000 0.564 149 S N -1.199 114.615 115.700 0.191 0.000 2.685 149 S HA 0.771 5.241 4.470 -0.000 0.000 0.282 149 S C 0.087 174.770 174.600 0.138 0.000 1.159 149 S CA 0.306 58.552 58.200 0.077 0.000 0.833 149 S CB 1.189 64.395 63.200 0.011 0.000 1.151 149 S HN 2.396 nan 8.310 nan 0.000 0.485 150 G N -0.083 108.723 108.800 0.010 0.000 2.157 150 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.239 150 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.239 150 G C -0.227 174.754 174.900 0.135 0.000 0.982 150 G CA 0.357 45.503 45.100 0.078 0.000 0.650 150 G HN 1.590 nan 8.290 nan 0.000 0.527 151 F N 0.086 120.079 119.950 0.072 0.000 2.671 151 F HA 0.949 5.476 4.527 -0.000 0.000 0.373 151 F C 0.278 176.124 175.800 0.077 0.000 1.122 151 F CA -0.458 57.572 58.000 0.050 0.000 1.082 151 F CB 1.245 40.250 39.000 0.010 0.000 1.399 151 F HN 0.540 nan 8.300 nan 0.000 0.509 152 T N -4.101 110.582 114.554 0.215 0.000 2.787 152 T HA 0.284 4.634 4.350 -0.000 0.000 0.297 152 T C 0.709 175.478 174.700 0.114 0.000 1.221 152 T CA -0.051 62.117 62.100 0.114 0.000 1.006 152 T CB 0.815 69.734 68.868 0.086 0.000 1.328 152 T HN 1.089 nan 8.240 nan 0.000 0.509 153 T N -1.213 113.381 114.554 0.067 0.000 2.848 153 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 153 T C 1.120 175.858 174.700 0.063 0.000 1.081 153 T CA 1.886 63.997 62.100 0.018 0.000 1.125 153 T CB -0.851 68.133 68.868 0.195 0.000 0.848 153 T HN 0.623 nan 8.240 nan 0.000 0.503 154 D N 1.661 122.113 120.400 0.087 0.000 2.097 154 D HA 0.040 4.680 4.640 -0.000 0.000 0.197 154 D C 2.474 178.815 176.300 0.069 0.000 0.984 154 D CA 1.413 55.465 54.000 0.085 0.000 0.826 154 D CB -1.045 39.802 40.800 0.079 0.000 0.973 154 D HN 0.568 nan 8.370 nan 0.000 0.460 155 G N 1.095 109.935 108.800 0.067 0.000 2.459 155 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 155 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 155 G C 1.805 176.685 174.900 -0.033 0.000 1.183 155 G CA 0.571 45.690 45.100 0.032 0.000 0.776 155 G HN 0.245 nan 8.290 nan 0.000 0.552 156 L N -0.194 120.967 121.223 -0.103 0.000 1.990 156 L HA -0.129 4.211 4.340 -0.000 0.000 0.213 156 L C 2.726 179.596 176.870 0.001 0.000 1.072 156 L CA 1.045 55.770 54.840 -0.191 0.000 0.755 156 L CB -0.691 41.039 42.059 -0.548 0.000 0.889 156 L HN 0.252 nan 8.230 nan 0.000 0.432 157 L N -0.645 120.632 121.223 0.090 0.000 2.127 157 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 157 L C 2.623 179.554 176.870 0.102 0.000 1.089 157 L CA 1.959 56.892 54.840 0.156 0.000 0.757 157 L CB -0.653 41.498 42.059 0.153 0.000 0.899 157 L HN 0.183 nan 8.230 nan 0.000 0.434 158 S N -0.773 114.984 115.700 0.096 0.000 2.387 158 S HA -0.101 4.369 4.470 -0.000 0.000 0.226 158 S C 2.031 176.746 174.600 0.192 0.000 1.026 158 S CA 1.110 59.405 58.200 0.157 0.000 0.972 158 S CB -0.472 62.814 63.200 0.143 0.000 0.814 158 S HN 0.636 nan 8.310 nan 0.000 0.477 159 I N 0.847 121.471 120.570 0.091 0.000 2.500 159 I HA 0.029 4.199 4.170 -0.000 0.000 0.252 159 I C 1.954 178.114 176.117 0.072 0.000 1.142 159 I CA 1.203 62.545 61.300 0.071 0.000 1.451 159 I CB -0.452 37.544 38.000 -0.007 0.000 1.093 159 I HN 0.206 nan 8.210 nan 0.000 0.430 160 V N -0.396 119.562 119.914 0.074 0.000 2.970 160 V HA -0.074 4.046 4.120 -0.000 0.000 0.260 160 V C 2.351 178.464 176.094 0.031 0.000 1.100 160 V CA 1.732 64.079 62.300 0.078 0.000 1.122 160 V CB -1.973 29.936 31.823 0.143 0.000 0.721 160 V HN 0.703 nan 8.190 nan 0.000 0.483 161 T N -2.981 111.566 114.554 -0.013 0.000 3.040 161 T HA 0.067 4.417 4.350 -0.000 0.000 0.252 161 T C 1.599 176.174 174.700 -0.209 0.000 1.064 161 T CA 1.178 63.191 62.100 -0.145 0.000 1.110 161 T CB -0.458 68.276 68.868 -0.222 0.000 0.921 161 T HN 0.592 nan 8.240 nan 0.000 0.480 162 H N -0.416 118.644 119.070 -0.017 0.000 2.582 162 H HA 0.400 4.956 4.556 -0.000 0.000 0.269 162 H C 0.301 175.620 175.328 -0.016 0.000 0.962 162 H CA 0.063 56.100 56.048 -0.018 0.000 1.230 162 H CB 0.394 30.148 29.762 -0.012 0.000 1.445 162 H HN 0.358 nan 8.280 nan 0.000 0.528 163 C N 2.313 121.672 119.300 0.099 0.000 2.248 163 C HA 0.284 4.744 4.460 -0.000 0.000 0.320 163 C C 1.257 176.265 174.990 0.030 0.000 1.065 163 C CA -0.709 58.339 59.018 0.050 0.000 1.558 163 C CB -0.443 27.318 27.740 0.034 0.000 1.787 163 C HN 0.571 nan 8.230 nan 0.000 0.426 164 R N 0.828 121.340 120.500 0.020 0.000 2.275 164 R HA 0.021 4.361 4.340 -0.000 0.000 0.199 164 R C 0.993 177.306 176.300 0.023 0.000 0.989 164 R CA 0.626 56.736 56.100 0.016 0.000 1.016 164 R CB 0.180 30.481 30.300 0.003 0.000 0.918 164 R HN 0.592 nan 8.270 nan 0.000 0.473 165 K N 0.923 121.333 120.400 0.017 0.000 2.514 165 K HA 0.282 4.602 4.320 -0.000 0.000 0.207 165 K C -0.029 176.576 176.600 0.007 0.000 1.035 165 K CA -0.220 56.074 56.287 0.012 0.000 1.113 165 K CB 0.629 33.134 32.500 0.007 0.000 0.846 165 K HN 0.043 nan 8.250 nan 0.000 0.491 166 I N 2.234 122.810 120.570 0.011 0.000 2.828 166 I HA -0.185 3.985 4.170 -0.000 0.000 0.292 166 I C 1.198 177.318 176.117 0.005 0.000 1.206 166 I CA 0.880 62.182 61.300 0.004 0.000 1.420 166 I CB 0.533 38.541 38.000 0.012 0.000 1.368 166 I HN 0.226 nan 8.210 nan 0.000 0.556 167 K N 3.127 123.523 120.400 -0.006 0.000 2.141 167 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 167 K C 0.780 177.375 176.600 -0.008 0.000 1.045 167 K CA 0.774 57.057 56.287 -0.007 0.000 0.971 167 K CB 0.170 32.662 32.500 -0.013 0.000 0.795 167 K HN 0.683 nan 8.250 nan 0.000 0.459 168 T N 0.484 115.025 114.554 -0.021 0.000 2.824 168 T HA 0.512 4.862 4.350 -0.000 0.000 0.282 168 T C -1.557 173.121 174.700 -0.035 0.000 0.993 168 T CA -0.851 61.232 62.100 -0.028 0.000 0.967 168 T CB 1.117 69.959 68.868 -0.043 0.000 0.960 168 T HN -0.026 nan 8.240 nan 0.000 0.441 169 L N 5.423 126.638 121.223 -0.013 0.000 2.406 169 L HA 0.849 5.189 4.340 -0.000 0.000 0.272 169 L C -1.839 175.034 176.870 0.006 0.000 0.980 169 L CA -0.722 54.113 54.840 -0.009 0.000 0.831 169 L CB 1.672 43.757 42.059 0.043 0.000 1.253 169 L HN 0.849 nan 8.230 nan 0.000 0.406 170 L N 5.520 126.719 121.223 -0.040 0.000 2.436 170 L HA 0.578 4.918 4.340 -0.000 0.000 0.268 170 L C -0.693 176.178 176.870 0.001 0.000 0.974 170 L CA -0.246 54.584 54.840 -0.016 0.000 0.826 170 L CB 2.058 44.062 42.059 -0.091 0.000 1.291 170 L HN 0.874 nan 8.230 nan 0.000 0.406 171 M N 3.096 122.760 119.600 0.108 0.000 2.511 171 M HA 0.216 4.696 4.480 -0.000 0.000 0.387 171 M C -0.085 176.350 176.300 0.227 0.000 1.112 171 M CA -0.209 55.188 55.300 0.161 0.000 0.921 171 M CB 0.885 33.602 32.600 0.195 0.000 1.501 171 M HN 0.548 nan 8.290 nan 0.000 0.538 172 E N 2.691 122.994 120.200 0.172 0.000 2.694 172 E HA -0.178 4.172 4.350 -0.000 0.000 0.250 172 E C 0.364 177.038 176.600 0.123 0.000 0.963 172 E CA 0.925 57.425 56.400 0.166 0.000 0.949 172 E CB 0.288 30.069 29.700 0.136 0.000 0.911 172 E HN 0.423 nan 8.360 nan 0.000 0.500 173 E N 1.802 122.057 120.200 0.093 0.000 3.673 173 E HA -0.222 4.127 4.350 -0.000 0.000 0.309 173 E C -0.876 175.754 176.600 0.050 0.000 0.819 173 E CA 0.670 57.081 56.400 0.019 0.000 1.111 173 E CB -0.940 28.748 29.700 -0.020 0.000 1.561 173 E HN 0.506 nan 8.360 nan 0.000 0.450 174 S N 0.221 116.014 115.700 0.155 0.000 2.576 174 S HA 0.308 4.778 4.470 -0.000 0.000 0.276 174 S C -0.142 174.515 174.600 0.095 0.000 1.339 174 S CA 0.094 58.426 58.200 0.219 0.000 1.039 174 S CB 1.422 64.897 63.200 0.459 0.000 0.902 174 S HN 0.396 nan 8.310 nan 0.000 0.516 175 S N 2.587 118.256 115.700 -0.052 0.000 2.552 175 S HA 0.821 5.291 4.470 -0.000 0.000 0.314 175 S C -0.636 173.694 174.600 -0.449 0.000 1.099 175 S CA -0.842 57.148 58.200 -0.351 0.000 1.070 175 S CB 0.279 63.317 63.200 -0.270 0.000 0.998 175 S HN 0.603 nan 8.310 nan 0.000 0.474 176 F N -0.638 118.976 119.950 -0.559 0.000 2.869 176 F HA 0.836 5.363 4.527 0.000 0.000 0.325 176 F C -0.486 175.062 175.800 -0.419 0.000 1.184 176 F CA -1.322 56.258 58.000 -0.702 0.000 0.951 176 F CB 0.884 39.203 39.000 -1.135 0.000 1.421 176 F HN 0.395 nan 8.300 nan 0.000 0.501 177 S N 0.298 115.950 115.700 -0.081 0.000 2.433 177 S HA 0.253 4.723 4.470 -0.000 0.000 0.310 177 S C -0.837 173.817 174.600 0.091 0.000 1.097 177 S CA -0.568 57.592 58.200 -0.065 0.000 1.103 177 S CB 0.699 63.874 63.200 -0.041 0.000 0.992 177 S HN 0.574 nan 8.310 nan 0.000 0.469 178 E N 2.910 123.131 120.200 0.035 0.000 2.089 178 E HA 0.199 4.549 4.350 -0.000 0.000 0.284 178 E C 0.117 176.783 176.600 0.110 0.000 1.023 178 E CA -0.142 56.345 56.400 0.145 0.000 0.819 178 E CB 0.469 30.242 29.700 0.121 0.000 1.076 178 E HN 0.521 nan 8.360 nan 0.000 0.396 179 K N 2.632 123.115 120.400 0.139 0.000 2.348 179 K HA 0.082 4.402 4.320 -0.000 0.000 0.194 179 K C -0.417 176.251 176.600 0.113 0.000 1.052 179 K CA 0.409 56.757 56.287 0.101 0.000 1.004 179 K CB 0.430 32.982 32.500 0.087 0.000 0.873 179 K HN 0.550 nan 8.250 nan 0.000 0.523 180 D N -2.907 117.595 120.400 0.170 0.000 2.893 180 D HA 0.110 4.750 4.640 -0.000 0.000 0.346 180 D C -0.063 176.373 176.300 0.227 0.000 1.402 180 D CA -0.727 53.367 54.000 0.156 0.000 0.815 180 D CB 0.161 41.029 40.800 0.113 0.000 1.403 180 D HN -0.132 nan 8.370 nan 0.000 0.484 181 G N -1.323 107.549 108.800 0.119 0.000 3.695 181 G HA2 0.097 4.057 3.960 -0.000 0.000 0.277 181 G HA3 0.097 4.057 3.960 -0.000 0.000 0.277 181 G C 0.550 175.377 174.900 -0.122 0.000 1.001 181 G CA -0.272 44.823 45.100 -0.009 0.000 0.837 181 G HN 0.446 nan 8.290 nan 0.000 0.492 182 K N 0.673 121.088 120.400 0.024 0.000 2.442 182 K HA -0.076 4.244 4.320 -0.000 0.000 0.198 182 K C 2.042 178.681 176.600 0.065 0.000 1.044 182 K CA 0.672 56.970 56.287 0.018 0.000 0.948 182 K CB -0.222 32.293 32.500 0.025 0.000 0.762 182 K HN 0.620 nan 8.250 nan 0.000 0.472 183 W N 1.329 122.636 121.300 0.012 0.000 2.409 183 W HA -0.063 4.597 4.660 -0.000 0.000 0.299 183 W C 1.375 177.880 176.519 -0.024 0.000 1.203 183 W CA 0.171 57.509 57.345 -0.013 0.000 1.298 183 W CB -0.861 28.574 29.460 -0.041 0.000 1.127 183 W HN -0.020 nan 8.180 nan 0.000 0.528 184 L N 0.533 121.075 121.223 -1.134 0.000 2.109 184 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 184 L C 2.911 179.547 176.870 -0.391 0.000 1.086 184 L CA 2.200 56.421 54.840 -1.032 0.000 0.760 184 L CB -0.794 40.519 42.059 -1.242 0.000 0.910 184 L HN 0.064 nan 8.230 nan 0.000 0.437 185 H N -0.494 118.375 119.070 -0.334 0.000 2.389 185 H HA -0.241 4.315 4.556 -0.000 0.000 0.299 185 H C 2.109 177.390 175.328 -0.079 0.000 1.081 185 H CA 1.861 57.808 56.048 -0.167 0.000 1.345 185 H CB 0.356 30.047 29.762 -0.120 0.000 1.393 185 H HN 0.260 nan 8.280 nan 0.000 0.520 186 E N 0.148 120.414 120.200 0.110 0.000 2.150 186 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 186 E C 2.087 178.747 176.600 0.100 0.000 0.985 186 E CA 0.770 57.257 56.400 0.144 0.000 0.814 186 E CB -0.236 29.538 29.700 0.124 0.000 0.752 186 E HN 0.550 nan 8.360 nan 0.000 0.466 187 L N -0.072 121.166 121.223 0.025 0.000 1.976 187 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 187 L C 2.488 179.342 176.870 -0.027 0.000 1.071 187 L CA 1.176 56.025 54.840 0.016 0.000 0.746 187 L CB -0.773 41.283 42.059 -0.005 0.000 0.890 187 L HN 0.273 nan 8.230 nan 0.000 0.432 188 A N -0.308 122.444 122.820 -0.113 0.000 1.873 188 A HA -0.376 3.944 4.320 -0.000 0.000 0.219 188 A C 2.116 179.604 177.584 -0.161 0.000 1.269 188 A CA 2.422 54.359 52.037 -0.167 0.000 0.671 188 A CB -1.011 17.806 19.000 -0.304 0.000 0.842 188 A HN 0.544 nan 8.150 nan 0.000 0.460 189 Q N -2.354 117.332 119.800 -0.190 0.000 2.248 189 Q HA -0.202 4.138 4.340 -0.000 0.000 0.208 189 Q C 1.315 177.083 176.000 -0.386 0.000 0.984 189 Q CA 1.664 57.316 55.803 -0.252 0.000 0.875 189 Q CB -0.126 28.524 28.738 -0.148 0.000 0.910 189 Q HN 0.892 nan 8.270 nan 0.000 0.433 190 H N -2.744 116.303 119.070 -0.039 0.000 3.771 190 H HA 0.174 4.730 4.556 -0.000 0.000 0.260 190 H C -0.266 175.051 175.328 -0.018 0.000 1.158 190 H CA -0.222 55.813 56.048 -0.022 0.000 1.170 190 H CB 0.596 30.350 29.762 -0.013 0.000 1.539 190 H HN 0.106 nan 8.280 nan 0.000 0.634 191 N N 0.397 119.145 118.700 0.079 0.000 2.498 191 N HA 0.115 4.855 4.740 -0.000 0.000 0.287 191 N C 0.477 175.999 175.510 0.019 0.000 1.097 191 N CA 0.216 53.296 53.050 0.050 0.000 0.973 191 N CB 1.754 40.269 38.487 0.047 0.000 1.153 191 N HN -0.114 nan 8.380 nan 0.000 0.472 192 T N -0.542 114.023 114.554 0.018 0.000 3.010 192 T HA 0.013 4.363 4.350 -0.000 0.000 0.252 192 T C 1.421 176.125 174.700 0.006 0.000 0.963 192 T CA 0.187 62.291 62.100 0.006 0.000 0.952 192 T CB -0.001 68.870 68.868 0.005 0.000 1.182 192 T HN 0.622 nan 8.240 nan 0.000 0.495 193 S N 1.298 117.005 115.700 0.011 0.000 2.496 193 S HA 0.200 4.670 4.470 -0.000 0.000 0.224 193 S C 0.750 175.354 174.600 0.008 0.000 0.996 193 S CA -0.264 57.940 58.200 0.007 0.000 0.927 193 S CB -0.471 62.733 63.200 0.007 0.000 0.774 193 S HN 0.222 nan 8.310 nan 0.000 0.524 194 L N 2.670 123.902 121.223 0.015 0.000 2.720 194 L HA -0.040 4.300 4.340 -0.000 0.000 0.289 194 L C 1.091 177.969 176.870 0.014 0.000 1.232 194 L CA 1.004 55.855 54.840 0.020 0.000 0.915 194 L CB -0.009 42.071 42.059 0.033 0.000 1.184 194 L HN 0.277 nan 8.230 nan 0.000 0.491 195 E N 2.276 122.481 120.200 0.008 0.000 2.378 195 E HA 0.180 4.530 4.350 -0.000 0.000 0.200 195 E C -0.727 175.875 176.600 0.002 0.000 0.882 195 E CA 0.091 56.492 56.400 0.002 0.000 1.061 195 E CB 0.930 30.626 29.700 -0.007 0.000 1.049 195 E HN 0.398 nan 8.360 nan 0.000 0.494 196 V N 1.754 121.665 119.914 -0.004 0.000 2.656 196 V HA 0.556 4.676 4.120 -0.000 0.000 0.307 196 V C -1.931 174.160 176.094 -0.005 0.000 1.051 196 V CA -0.833 61.459 62.300 -0.012 0.000 0.893 196 V CB 1.873 33.677 31.823 -0.031 0.000 0.999 196 V HN 0.081 nan 8.190 nan 0.000 0.426 197 L N 5.966 127.181 121.223 -0.013 0.000 2.406 197 L HA 0.740 5.080 4.340 -0.000 0.000 0.272 197 L C -1.194 175.629 176.870 -0.079 0.000 0.980 197 L CA -0.063 54.786 54.840 0.015 0.000 0.831 197 L CB 1.844 43.937 42.059 0.057 0.000 1.253 197 L HN 0.844 nan 8.230 nan 0.000 0.406 198 N N 4.799 123.488 118.700 -0.019 0.000 2.533 198 N HA 0.389 5.128 4.740 -0.000 0.000 0.289 198 N C -1.678 173.893 175.510 0.100 0.000 1.103 198 N CA -0.465 52.528 53.050 -0.095 0.000 0.877 198 N CB 0.815 39.264 38.487 -0.063 0.000 1.419 198 N HN 0.455 nan 8.380 nan 0.000 0.517 199 F N 3.100 123.115 119.950 0.108 0.000 2.542 199 F HA 0.392 4.919 4.527 -0.000 0.000 0.323 199 F C 0.488 176.436 175.800 0.248 0.000 1.411 199 F CA -0.955 57.173 58.000 0.214 0.000 1.124 199 F CB -0.122 39.077 39.000 0.331 0.000 1.331 199 F HN 0.251 nan 8.300 nan 0.000 0.560 200 Y N 1.949 122.280 120.300 0.051 0.000 2.109 200 Y HA 0.145 4.695 4.550 -0.000 0.000 0.285 200 Y C 1.001 176.892 175.900 -0.015 0.000 1.131 200 Y CA 1.289 59.361 58.100 -0.046 0.000 1.121 200 Y CB 0.051 38.469 38.460 -0.071 0.000 0.987 200 Y HN 0.373 nan 8.280 nan 0.000 0.495 201 M N 1.741 121.292 119.600 -0.081 0.000 3.347 201 M HA 0.203 4.683 4.480 -0.000 0.000 0.260 201 M C -0.779 175.490 176.300 -0.050 0.000 1.362 201 M CA 0.112 55.271 55.300 -0.235 0.000 1.497 201 M CB 0.192 32.617 32.600 -0.292 0.000 1.080 201 M HN 0.206 nan 8.290 nan 0.000 0.592 202 T N -2.368 112.222 114.554 0.059 0.000 2.971 202 T HA 0.455 4.805 4.350 -0.000 0.000 0.304 202 T C -0.505 174.214 174.700 0.031 0.000 1.038 202 T CA -1.104 61.053 62.100 0.095 0.000 1.007 202 T CB 1.522 70.644 68.868 0.423 0.000 1.055 202 T HN 0.287 nan 8.240 nan 0.000 0.451 203 E N 2.967 123.041 120.200 -0.210 0.000 1.856 203 E HA 0.243 4.593 4.350 -0.000 0.000 0.263 203 E C -1.124 175.317 176.600 -0.264 0.000 1.137 203 E CA -0.180 56.097 56.400 -0.206 0.000 1.007 203 E CB -0.164 29.372 29.700 -0.272 0.000 1.117 203 E HN 0.553 nan 8.360 nan 0.000 0.438 204 F N 0.689 120.645 119.950 0.010 0.000 2.427 204 F HA 0.385 4.912 4.527 0.000 0.000 0.346 204 F C 0.959 176.723 175.800 -0.059 0.000 1.120 204 F CA -0.610 57.406 58.000 0.027 0.000 1.033 204 F CB 1.829 40.837 39.000 0.013 0.000 1.126 204 F HN 0.391 nan 8.300 nan 0.000 0.462 205 A N 2.985 125.897 122.820 0.153 0.000 2.508 205 A HA 0.285 4.605 4.320 -0.000 0.000 0.250 205 A C 0.885 178.517 177.584 0.080 0.000 1.208 205 A CA -0.156 51.920 52.037 0.065 0.000 0.960 205 A CB 0.050 19.067 19.000 0.028 0.000 1.099 205 A HN 0.722 nan 8.150 nan 0.000 0.542 206 K N 0.669 121.149 120.400 0.134 0.000 2.536 206 K HA 0.308 4.628 4.320 -0.000 0.000 0.203 206 K C -0.319 176.323 176.600 0.070 0.000 1.063 206 K CA -0.034 56.317 56.287 0.108 0.000 1.063 206 K CB 0.565 33.143 32.500 0.130 0.000 0.843 206 K HN 0.667 nan 8.250 nan 0.000 0.521 207 I N -1.617 118.970 120.570 0.028 0.000 2.359 207 I HA 0.354 4.524 4.170 -0.000 0.000 0.294 207 I C -0.034 176.156 176.117 0.121 0.000 0.987 207 I CA -0.685 60.583 61.300 -0.052 0.000 1.225 207 I CB 1.811 39.655 38.000 -0.260 0.000 1.366 207 I HN -0.203 nan 8.210 nan 0.000 0.466 208 S N 6.947 122.698 115.700 0.084 0.000 2.499 208 S HA 0.363 4.833 4.470 -0.000 0.000 0.275 208 S C -1.084 173.580 174.600 0.107 0.000 1.257 208 S CA -1.431 56.843 58.200 0.123 0.000 1.050 208 S CB 0.833 64.068 63.200 0.059 0.000 0.937 208 S HN 0.640 nan 8.310 nan 0.000 0.490 209 P HA -0.104 nan 4.420 nan 0.000 0.220 209 P C 0.971 178.134 177.300 -0.227 0.000 1.148 209 P CA 0.879 63.738 63.100 -0.403 0.000 0.803 209 P CB 0.117 31.461 31.700 -0.593 0.000 0.782 210 K N 0.104 120.439 120.400 -0.109 0.000 2.160 210 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 210 K C 1.627 178.166 176.600 -0.101 0.000 1.047 210 K CA 1.266 57.504 56.287 -0.082 0.000 0.930 210 K CB -0.710 31.766 32.500 -0.041 0.000 0.720 210 K HN 0.233 nan 8.250 nan 0.000 0.450 211 D N 0.781 121.113 120.400 -0.112 0.000 2.123 211 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 211 D C 1.916 178.128 176.300 -0.148 0.000 0.976 211 D CA 0.452 54.355 54.000 -0.161 0.000 0.831 211 D CB -0.075 40.619 40.800 -0.177 0.000 0.974 211 D HN -0.003 nan 8.370 nan 0.000 0.469 212 L N 1.667 122.799 121.223 -0.152 0.000 2.046 212 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 212 L C 2.103 178.940 176.870 -0.055 0.000 1.077 212 L CA 1.748 56.485 54.840 -0.171 0.000 0.747 212 L CB -0.672 41.177 42.059 -0.350 0.000 0.896 212 L HN 0.011 nan 8.230 nan 0.000 0.432 213 E N -1.335 118.840 120.200 -0.042 0.000 2.017 213 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 213 E C 2.054 178.667 176.600 0.022 0.000 0.997 213 E CA 1.796 58.236 56.400 0.066 0.000 0.804 213 E CB -0.268 29.429 29.700 -0.005 0.000 0.757 213 E HN 0.530 nan 8.360 nan 0.000 0.448 214 T N -0.074 114.453 114.554 -0.044 0.000 2.897 214 T HA -0.126 4.224 4.350 -0.000 0.000 0.271 214 T C 1.852 176.521 174.700 -0.052 0.000 1.084 214 T CA 1.215 63.276 62.100 -0.066 0.000 1.123 214 T CB -0.304 68.496 68.868 -0.114 0.000 0.865 214 T HN 0.217 nan 8.240 nan 0.000 0.496 215 I N 0.887 121.439 120.570 -0.030 0.000 2.233 215 I HA 0.003 4.173 4.170 -0.000 0.000 0.243 215 I C 3.063 179.200 176.117 0.032 0.000 1.093 215 I CA 0.993 62.289 61.300 -0.007 0.000 1.380 215 I CB -0.608 37.394 38.000 0.003 0.000 1.067 215 I HN 0.325 nan 8.210 nan 0.000 0.413 216 A N 0.690 123.566 122.820 0.093 0.000 1.978 216 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 216 A C 2.355 179.928 177.584 -0.019 0.000 1.170 216 A CA 1.779 53.854 52.037 0.063 0.000 0.636 216 A CB -0.610 18.421 19.000 0.051 0.000 0.810 216 A HN 0.311 nan 8.150 nan 0.000 0.448 217 R N -0.702 119.785 120.500 -0.022 0.000 2.148 217 R HA -0.026 4.314 4.340 -0.000 0.000 0.223 217 R C 1.359 177.637 176.300 -0.037 0.000 1.088 217 R CA 1.377 57.453 56.100 -0.041 0.000 0.985 217 R CB -0.055 30.218 30.300 -0.043 0.000 0.880 217 R HN 0.495 nan 8.270 nan 0.000 0.451 218 N N -1.230 117.452 118.700 -0.030 0.000 2.388 218 N HA 0.036 4.776 4.740 -0.000 0.000 0.176 218 N C -0.576 174.923 175.510 -0.019 0.000 1.062 218 N CA 0.403 53.435 53.050 -0.030 0.000 0.895 218 N CB 0.576 39.040 38.487 -0.038 0.000 1.018 218 N HN 0.085 nan 8.380 nan 0.000 0.456 219 C N 1.877 121.171 119.300 -0.010 0.000 2.184 219 C HA 0.394 4.854 4.460 -0.000 0.000 0.328 219 C C 1.582 176.566 174.990 -0.010 0.000 1.081 219 C CA -0.880 58.136 59.018 -0.003 0.000 1.533 219 C CB -0.038 27.708 27.740 0.011 0.000 1.905 219 C HN 0.174 nan 8.230 nan 0.000 0.439 220 R N 1.038 121.529 120.500 -0.015 0.000 2.193 220 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 220 R C 1.813 178.103 176.300 -0.018 0.000 1.110 220 R CA 0.939 57.027 56.100 -0.020 0.000 0.988 220 R CB -0.190 30.097 30.300 -0.021 0.000 0.871 220 R HN 0.610 nan 8.270 nan 0.000 0.458 221 S N -0.076 115.617 115.700 -0.011 0.000 2.597 221 S HA 0.157 4.627 4.470 -0.000 0.000 0.224 221 S C -0.073 174.525 174.600 -0.004 0.000 0.955 221 S CA -0.503 57.692 58.200 -0.009 0.000 0.933 221 S CB 0.041 63.236 63.200 -0.008 0.000 0.788 221 S HN 0.072 nan 8.310 nan 0.000 0.488 222 L N 2.474 123.697 121.223 -0.000 0.000 2.597 222 L HA 0.118 4.458 4.340 -0.000 0.000 0.271 222 L C 0.722 177.599 176.870 0.011 0.000 1.157 222 L CA 0.687 55.535 54.840 0.015 0.000 0.928 222 L CB 0.432 42.511 42.059 0.033 0.000 1.216 222 L HN 0.007 nan 8.230 nan 0.000 0.481 223 V N 2.497 122.419 119.914 0.014 0.000 3.359 223 V HA 0.265 4.385 4.120 -0.000 0.000 0.245 223 V C 0.591 176.698 176.094 0.022 0.000 1.247 223 V CA 0.749 63.055 62.300 0.010 0.000 1.145 223 V CB 0.693 32.515 31.823 -0.002 0.000 0.906 223 V HN 0.780 nan 8.190 nan 0.000 0.464 224 S N -0.015 115.696 115.700 0.018 0.000 2.541 224 S HA 0.726 5.196 4.470 -0.000 0.000 0.280 224 S C -1.563 173.030 174.600 -0.012 0.000 1.112 224 S CA -0.227 57.976 58.200 0.004 0.000 0.925 224 S CB 1.978 65.157 63.200 -0.035 0.000 1.067 224 S HN 0.558 nan 8.310 nan 0.000 0.479 225 V N 4.312 124.195 119.914 -0.050 0.000 2.737 225 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 225 V C -1.789 174.035 176.094 -0.450 0.000 1.163 225 V CA -0.561 61.634 62.300 -0.174 0.000 0.925 225 V CB 1.551 33.351 31.823 -0.039 0.000 1.037 225 V HN 0.985 nan 8.190 nan 0.000 0.433 226 K N 4.490 124.560 120.400 -0.550 0.000 2.267 226 K HA 0.936 5.256 4.320 -0.000 0.000 0.246 226 K C -1.333 174.810 176.600 -0.761 0.000 0.954 226 K CA -0.880 54.979 56.287 -0.713 0.000 0.824 226 K CB 2.716 34.846 32.500 -0.617 0.000 1.167 226 K HN 0.567 nan 8.250 nan 0.000 0.431 227 V N 0.181 119.766 119.914 -0.548 0.000 3.206 227 V HA 0.399 4.518 4.120 -0.000 0.000 0.305 227 V C 0.359 176.496 176.094 0.073 0.000 1.257 227 V CA -0.634 61.420 62.300 -0.410 0.000 1.057 227 V CB 2.247 33.918 31.823 -0.253 0.000 1.075 227 V HN 1.013 nan 8.190 nan 0.000 0.443 228 G N -0.300 108.660 108.800 0.266 0.000 2.679 228 G HA2 0.130 4.090 3.960 -0.000 0.000 0.202 228 G HA3 0.130 4.090 3.960 -0.000 0.000 0.202 228 G C -0.086 174.921 174.900 0.179 0.000 1.566 228 G CA 0.141 45.386 45.100 0.242 0.000 1.074 228 G HN 0.663 nan 8.290 nan 0.000 0.564 229 D N 0.145 120.620 120.400 0.125 0.000 2.706 229 D HA 0.231 4.871 4.640 -0.000 0.000 0.236 229 D C 0.032 176.454 176.300 0.203 0.000 1.231 229 D CA -0.236 53.877 54.000 0.190 0.000 0.828 229 D CB -0.389 40.507 40.800 0.160 0.000 1.015 229 D HN 0.113 nan 8.370 nan 0.000 0.484 230 F N 1.208 121.282 119.950 0.207 0.000 2.628 230 F HA -0.078 4.449 4.527 -0.000 0.000 0.362 230 F C 1.602 177.515 175.800 0.188 0.000 1.148 230 F CA 0.100 58.205 58.000 0.175 0.000 1.352 230 F CB 0.757 39.851 39.000 0.157 0.000 1.081 230 F HN -0.189 nan 8.300 nan 0.000 0.605 231 E N 3.470 123.928 120.200 0.431 0.000 2.257 231 E HA 0.048 4.398 4.350 -0.000 0.000 0.278 231 E C 0.896 177.667 176.600 0.285 0.000 1.049 231 E CA -0.051 56.534 56.400 0.308 0.000 0.876 231 E CB 0.947 30.791 29.700 0.240 0.000 1.035 231 E HN 0.538 nan 8.360 nan 0.000 0.419 232 I N 4.566 125.318 120.570 0.303 0.000 2.248 232 I HA -0.337 3.833 4.170 -0.000 0.000 0.248 232 I C 2.160 178.441 176.117 0.274 0.000 1.107 232 I CA 1.079 62.553 61.300 0.290 0.000 1.373 232 I CB -0.079 38.032 38.000 0.186 0.000 1.055 232 I HN 0.615 nan 8.210 nan 0.000 0.418 233 L N -0.229 121.175 121.223 0.302 0.000 2.127 233 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 233 L C 2.142 179.077 176.870 0.109 0.000 1.089 233 L CA 1.446 56.403 54.840 0.194 0.000 0.757 233 L CB -0.558 41.581 42.059 0.133 0.000 0.899 233 L HN 0.348 nan 8.230 nan 0.000 0.434 234 E N -0.345 119.909 120.200 0.090 0.000 2.478 234 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 234 E C 1.787 178.354 176.600 -0.054 0.000 1.046 234 E CA 0.395 56.800 56.400 0.008 0.000 0.870 234 E CB 0.164 29.860 29.700 -0.005 0.000 0.818 234 E HN 0.519 nan 8.360 nan 0.000 0.527 235 L N 0.127 121.356 121.223 0.009 0.000 2.640 235 L HA 0.024 4.364 4.340 -0.000 0.000 0.230 235 L C 1.764 178.727 176.870 0.155 0.000 1.123 235 L CA -0.143 54.685 54.840 -0.020 0.000 0.900 235 L CB 0.472 42.498 42.059 -0.056 0.000 1.146 235 L HN 0.023 nan 8.230 nan 0.000 0.484 236 V N 0.054 120.072 119.914 0.173 0.000 2.407 236 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 236 V C 2.626 178.775 176.094 0.091 0.000 1.055 236 V CA 2.043 64.446 62.300 0.172 0.000 1.049 236 V CB -1.313 30.540 31.823 0.050 0.000 0.662 236 V HN 0.574 nan 8.190 nan 0.000 0.455 237 G N -0.319 108.505 108.800 0.040 0.000 2.440 237 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.218 237 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.218 237 G C 1.477 176.377 174.900 -0.000 0.000 1.154 237 G CA 1.164 46.267 45.100 0.005 0.000 0.767 237 G HN 0.487 nan 8.290 nan 0.000 0.552 238 F N 1.190 121.042 119.950 -0.163 0.000 2.010 238 F HA -0.035 4.492 4.527 -0.000 0.000 0.296 238 F C 2.442 178.123 175.800 -0.198 0.000 1.146 238 F CA 1.589 59.441 58.000 -0.246 0.000 1.181 238 F CB -0.776 37.972 39.000 -0.421 0.000 0.965 238 F HN 0.133 nan 8.300 nan 0.000 0.480 239 F N 0.916 120.639 119.950 -0.378 0.000 2.115 239 F HA -0.258 4.269 4.527 0.000 0.000 0.300 239 F C 2.470 178.046 175.800 -0.373 0.000 1.092 239 F CA 1.890 59.594 58.000 -0.492 0.000 1.245 239 F CB -0.622 38.181 39.000 -0.328 0.000 0.995 239 F HN -0.022 nan 8.300 nan 0.000 0.481 240 K N -0.086 120.274 120.400 -0.066 0.000 2.057 240 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 240 K C 2.245 178.770 176.600 -0.126 0.000 1.049 240 K CA 1.286 57.523 56.287 -0.084 0.000 0.931 240 K CB -0.427 32.039 32.500 -0.057 0.000 0.714 240 K HN 0.262 nan 8.250 nan 0.000 0.440 241 A N 1.012 123.732 122.820 -0.167 0.000 2.072 241 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 241 A C 1.545 179.007 177.584 -0.203 0.000 1.156 241 A CA 0.809 52.754 52.037 -0.153 0.000 0.701 241 A CB -0.025 18.906 19.000 -0.115 0.000 0.816 241 A HN 0.244 nan 8.150 nan 0.000 0.458 242 A N 0.215 122.823 122.820 -0.353 0.000 3.077 242 A HA 0.575 4.895 4.320 -0.000 0.000 0.255 242 A C 1.600 179.061 177.584 -0.204 0.000 1.728 242 A CA 0.633 52.450 52.037 -0.368 0.000 1.383 242 A CB -1.095 17.437 19.000 -0.781 0.000 1.097 242 A HN 0.813 nan 8.150 nan 0.000 0.634 243 A N 1.581 124.320 122.820 -0.135 0.000 1.859 243 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 243 A C 1.725 179.264 177.584 -0.075 0.000 1.209 243 A CA 2.019 54.000 52.037 -0.093 0.000 0.639 243 A CB -0.534 18.423 19.000 -0.072 0.000 0.835 243 A HN 0.581 nan 8.150 nan 0.000 0.450 244 N N -0.312 118.351 118.700 -0.060 0.000 2.575 244 N HA 0.053 4.793 4.740 -0.000 0.000 0.192 244 N C 0.002 175.494 175.510 -0.031 0.000 1.200 244 N CA -0.028 52.997 53.050 -0.042 0.000 0.897 244 N CB -0.629 37.839 38.487 -0.032 0.000 0.990 244 N HN 0.404 nan 8.380 nan 0.000 0.449 245 L N 1.343 122.544 121.223 -0.036 0.000 2.513 245 L HA -0.014 4.326 4.340 -0.000 0.000 0.272 245 L C 1.020 177.898 176.870 0.013 0.000 1.187 245 L CA 0.774 55.615 54.840 0.001 0.000 0.895 245 L CB 0.397 42.459 42.059 0.006 0.000 1.147 245 L HN 0.157 nan 8.230 nan 0.000 0.483 246 E N 2.793 123.009 120.200 0.026 0.000 2.434 246 E HA 0.116 4.466 4.350 -0.000 0.000 0.207 246 E C -0.224 176.402 176.600 0.043 0.000 0.929 246 E CA 0.067 56.478 56.400 0.018 0.000 1.001 246 E CB 0.784 30.486 29.700 0.004 0.000 1.016 246 E HN 0.679 nan 8.360 nan 0.000 0.502 247 E N 0.508 120.751 120.200 0.072 0.000 2.275 247 E HA 0.389 4.739 4.350 -0.000 0.000 0.270 247 E C -1.874 174.829 176.600 0.171 0.000 0.882 247 E CA -0.606 55.840 56.400 0.076 0.000 0.758 247 E CB 1.551 31.252 29.700 0.002 0.000 1.195 247 E HN -0.039 nan 8.360 nan 0.000 0.419 248 F N 5.000 124.965 119.950 0.026 0.000 2.617 248 F HA 0.505 5.032 4.527 -0.000 0.000 0.325 248 F C -1.563 174.225 175.800 -0.021 0.000 1.179 248 F CA -0.510 57.526 58.000 0.059 0.000 0.965 248 F CB 0.864 40.023 39.000 0.265 0.000 1.232 248 F HN 0.564 nan 8.300 nan 0.000 0.461 249 C N 3.972 122.942 119.300 -0.551 0.000 2.529 249 C HA 1.018 5.478 4.460 -0.000 0.000 0.329 249 C C 0.673 175.232 174.990 -0.717 0.000 1.194 249 C CA 0.230 58.938 59.018 -0.518 0.000 1.779 249 C CB 0.717 27.885 27.740 -0.953 0.000 2.322 249 C HN 1.325 nan 8.230 nan 0.000 0.500 250 G N 0.814 109.566 108.800 -0.080 0.000 2.384 250 G HA2 0.482 4.442 3.960 -0.000 0.000 0.200 250 G HA3 0.482 4.442 3.960 -0.000 0.000 0.200 250 G C 0.153 175.276 174.900 0.372 0.000 1.205 250 G CA 0.130 45.318 45.100 0.146 0.000 1.116 250 G HN 2.593 nan 8.290 nan 0.000 0.547 251 G N -1.296 107.732 108.800 0.380 0.000 2.645 251 G HA2 0.370 4.330 3.960 -0.000 0.000 0.246 251 G HA3 0.370 4.330 3.960 -0.000 0.000 0.246 251 G C 0.361 175.500 174.900 0.399 0.000 1.322 251 G CA 1.287 46.678 45.100 0.486 0.000 0.898 251 G HN 2.533 nan 8.290 nan 0.000 0.573 252 S N -1.345 114.585 115.700 0.383 0.000 2.603 252 S HA 0.593 5.063 4.470 -0.000 0.000 0.274 252 S C -0.710 174.043 174.600 0.255 0.000 1.168 252 S CA -0.546 57.892 58.200 0.397 0.000 0.963 252 S CB 0.961 64.373 63.200 0.354 0.000 1.078 252 S HN 1.020 nan 8.310 nan 0.000 0.477 253 L N 5.193 126.543 121.223 0.212 0.000 2.287 253 L HA 0.500 4.840 4.340 -0.000 0.000 0.280 253 L C -0.374 176.590 176.870 0.158 0.000 1.055 253 L CA -0.583 54.265 54.840 0.013 0.000 0.863 253 L CB 0.720 42.698 42.059 -0.135 0.000 1.245 253 L HN 0.584 nan 8.230 nan 0.000 0.432 254 N N 3.767 122.631 118.700 0.274 0.000 2.457 254 N HA 0.187 4.927 4.740 -0.000 0.000 0.250 254 N C -0.585 175.091 175.510 0.276 0.000 0.982 254 N CA -0.463 52.715 53.050 0.213 0.000 0.941 254 N CB 1.750 40.327 38.487 0.150 0.000 1.120 254 N HN 0.556 nan 8.380 nan 0.000 0.505 255 E N 0.596 120.915 120.200 0.198 0.000 2.109 255 E HA 0.203 4.553 4.350 -0.000 0.000 0.278 255 E C -0.862 175.784 176.600 0.077 0.000 0.954 255 E CA -0.932 55.566 56.400 0.163 0.000 0.779 255 E CB 0.891 30.690 29.700 0.165 0.000 1.093 255 E HN 0.383 nan 8.360 nan 0.000 0.401 256 D N 4.351 124.774 120.400 0.039 0.000 2.229 256 D HA 0.074 4.714 4.640 -0.000 0.000 0.249 256 D C 0.917 177.223 176.300 0.010 0.000 1.027 256 D CA -0.748 53.263 54.000 0.018 0.000 0.923 256 D CB 1.224 42.026 40.800 0.004 0.000 1.174 256 D HN 0.349 nan 8.370 nan 0.000 0.443 257 I N 1.183 121.760 120.570 0.011 0.000 2.676 257 I HA -0.048 4.122 4.170 -0.000 0.000 0.259 257 I C 2.321 178.438 176.117 -0.000 0.000 1.194 257 I CA 0.667 61.973 61.300 0.010 0.000 1.473 257 I CB -1.580 36.427 38.000 0.012 0.000 1.096 257 I HN 0.663 nan 8.210 nan 0.000 0.443 258 G N 0.724 109.520 108.800 -0.007 0.000 2.708 258 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.210 258 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.210 258 G C 0.872 175.757 174.900 -0.025 0.000 1.141 258 G CA 0.124 45.216 45.100 -0.013 0.000 0.788 258 G HN 0.310 nan 8.290 nan 0.000 0.531 259 M N -0.064 119.517 119.600 -0.032 0.000 2.032 259 M HA 0.195 4.675 4.480 -0.000 0.000 0.221 259 M C -2.408 173.868 176.300 -0.040 0.000 0.941 259 M CA -1.229 54.040 55.300 -0.052 0.000 0.895 259 M CB 2.741 35.282 32.600 -0.098 0.000 2.146 259 M HN -0.152 nan 8.290 nan 0.000 0.366 260 P HA -0.056 nan 4.420 nan 0.000 0.219 260 P C 0.084 177.389 177.300 0.009 0.000 1.150 260 P CA 1.130 64.234 63.100 0.007 0.000 0.814 260 P CB 0.339 32.046 31.700 0.011 0.000 0.787 261 E N -0.427 119.766 120.200 -0.011 0.000 2.663 261 E HA 0.069 4.419 4.350 -0.000 0.000 0.240 261 E C 1.135 177.701 176.600 -0.056 0.000 1.227 261 E CA -0.205 56.189 56.400 -0.010 0.000 1.528 261 E CB 0.051 29.749 29.700 -0.003 0.000 1.472 261 E HN 0.158 nan 8.360 nan 0.000 0.433 262 K N 0.082 120.410 120.400 -0.119 0.000 2.007 262 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 262 K C 0.568 176.983 176.600 -0.309 0.000 1.047 262 K CA 1.129 57.239 56.287 -0.296 0.000 0.937 262 K CB 0.195 32.377 32.500 -0.530 0.000 0.718 262 K HN 0.284 nan 8.250 nan 0.000 0.438 263 Y N 0.011 120.312 120.300 0.001 0.000 2.645 263 Y HA 0.161 4.711 4.550 -0.000 0.000 0.307 263 Y C 0.839 176.728 175.900 -0.017 0.000 1.151 263 Y CA -0.667 57.426 58.100 -0.012 0.000 1.291 263 Y CB 0.635 39.099 38.460 0.007 0.000 1.135 263 Y HN 0.038 nan 8.280 nan 0.000 0.523 264 M N -0.460 119.187 119.600 0.079 0.000 2.431 264 M HA 0.125 4.605 4.480 -0.000 0.000 0.237 264 M C -0.048 176.269 176.300 0.029 0.000 1.130 264 M CA 0.494 55.830 55.300 0.061 0.000 1.002 264 M CB -0.282 32.346 32.600 0.046 0.000 1.524 264 M HN 0.186 nan 8.290 nan 0.000 0.482 265 N N 0.653 119.356 118.700 0.005 0.000 2.598 265 N HA 0.211 4.951 4.740 -0.000 0.000 0.309 265 N C -1.076 174.389 175.510 -0.074 0.000 1.645 265 N CA -0.066 52.969 53.050 -0.026 0.000 0.936 265 N CB 0.816 39.285 38.487 -0.030 0.000 1.323 265 N HN 0.052 nan 8.380 nan 0.000 0.497 266 L N 1.820 122.979 121.223 -0.107 0.000 2.255 266 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 266 L C 0.314 176.974 176.870 -0.349 0.000 1.046 266 L CA -0.629 54.020 54.840 -0.319 0.000 0.816 266 L CB 0.906 42.673 42.059 -0.488 0.000 1.197 266 L HN 0.009 nan 8.230 nan 0.000 0.427 267 V N 1.854 121.547 119.914 -0.369 0.000 2.222 267 V HA 0.306 4.426 4.120 -0.000 0.000 0.253 267 V C 0.270 176.130 176.094 -0.389 0.000 1.210 267 V CA -0.647 61.496 62.300 -0.262 0.000 1.079 267 V CB -1.172 30.559 31.823 -0.153 0.000 1.265 267 V HN 0.345 nan 8.190 nan 0.000 0.494 268 F N 4.250 124.010 119.950 -0.316 0.000 2.429 268 F HA 0.466 4.993 4.527 -0.000 0.000 0.348 268 F C -1.262 174.340 175.800 -0.329 0.000 1.109 268 F CA -1.852 55.888 58.000 -0.433 0.000 1.232 268 F CB 0.562 39.284 39.000 -0.464 0.000 1.157 268 F HN 0.332 nan 8.300 nan 0.000 0.564 269 P HA 0.017 nan 4.420 nan 0.000 0.266 269 P C 0.354 177.556 177.300 -0.165 0.000 1.193 269 P CA 0.045 63.103 63.100 -0.070 0.000 0.770 269 P CB 0.585 32.273 31.700 -0.021 0.000 0.836 270 R N 2.404 122.820 120.500 -0.139 0.000 2.073 270 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 270 R C 1.535 177.734 176.300 -0.168 0.000 1.134 270 R CA 1.547 57.553 56.100 -0.156 0.000 0.952 270 R CB -0.426 29.817 30.300 -0.096 0.000 0.850 270 R HN 0.521 nan 8.270 nan 0.000 0.433 271 K N 1.024 121.356 120.400 -0.114 0.000 2.504 271 K HA 0.078 4.398 4.320 -0.000 0.000 0.195 271 K C 0.845 177.391 176.600 -0.090 0.000 1.036 271 K CA -0.058 56.179 56.287 -0.084 0.000 0.984 271 K CB -0.049 32.420 32.500 -0.051 0.000 0.788 271 K HN 0.128 nan 8.250 nan 0.000 0.488 272 L N 1.896 123.033 121.223 -0.144 0.000 2.700 272 L HA -0.126 4.214 4.340 -0.000 0.000 0.272 272 L C 0.803 177.634 176.870 -0.066 0.000 1.176 272 L CA 0.176 54.949 54.840 -0.111 0.000 0.961 272 L CB 0.143 42.097 42.059 -0.175 0.000 1.249 272 L HN 0.423 nan 8.230 nan 0.000 0.487 273 C N 2.163 121.467 119.300 0.006 0.000 3.882 273 C HA 0.421 4.881 4.460 -0.000 0.000 0.340 273 C C 0.724 175.738 174.990 0.040 0.000 1.563 273 C CA -0.762 58.281 59.018 0.042 0.000 1.870 273 C CB -0.088 27.668 27.740 0.026 0.000 2.795 273 C HN 0.808 nan 8.230 nan 0.000 0.692 274 R N 1.569 122.089 120.500 0.033 0.000 2.451 274 R HA 0.817 5.157 4.340 -0.000 0.000 0.307 274 R C -0.906 175.414 176.300 0.034 0.000 0.965 274 R CA -0.018 56.094 56.100 0.020 0.000 0.865 274 R CB 1.537 31.838 30.300 0.003 0.000 1.174 274 R HN 0.702 nan 8.270 nan 0.000 0.455 275 L N -1.192 120.047 121.223 0.027 0.000 2.892 275 L HA 1.007 5.347 4.340 -0.000 0.000 0.269 275 L C -1.077 175.813 176.870 0.034 0.000 1.058 275 L CA -0.876 53.998 54.840 0.057 0.000 0.923 275 L CB 2.339 44.450 42.059 0.086 0.000 1.518 275 L HN 0.518 nan 8.230 nan 0.000 0.402 276 G N 1.588 110.439 108.800 0.086 0.000 2.078 276 G HA2 0.463 4.423 3.960 -0.000 0.000 0.297 276 G HA3 0.463 4.423 3.960 -0.000 0.000 0.297 276 G C -1.456 173.550 174.900 0.177 0.000 1.370 276 G CA -0.631 44.521 45.100 0.086 0.000 1.222 276 G HN 0.630 nan 8.290 nan 0.000 0.586 277 L N 1.704 123.017 121.223 0.150 0.000 2.326 277 L HA 0.449 4.789 4.340 -0.000 0.000 0.278 277 L C 0.666 177.624 176.870 0.146 0.000 1.092 277 L CA -0.590 54.374 54.840 0.207 0.000 0.810 277 L CB 1.510 43.652 42.059 0.137 0.000 1.153 277 L HN 0.410 nan 8.230 nan 0.000 0.439 278 S N 1.759 117.557 115.700 0.164 0.000 2.565 278 S HA 0.266 4.736 4.470 -0.000 0.000 0.274 278 S C -0.119 174.496 174.600 0.024 0.000 1.309 278 S CA -0.263 57.923 58.200 -0.024 0.000 1.043 278 S CB 0.305 63.412 63.200 -0.155 0.000 0.939 278 S HN 0.629 nan 8.310 nan 0.000 0.504 279 Y N -1.759 118.618 120.300 0.128 0.000 4.881 279 Y HA -0.246 4.304 4.550 -0.000 0.000 0.241 279 Y C 0.574 176.501 175.900 0.046 0.000 0.985 279 Y CA 0.424 58.575 58.100 0.085 0.000 1.976 279 Y CB -2.347 36.160 38.460 0.079 0.000 1.528 279 Y HN 0.722 nan 8.280 nan 0.000 0.581 280 M N 1.674 121.341 119.600 0.113 0.000 2.390 280 M HA 0.354 4.834 4.480 -0.000 0.000 0.353 280 M C 0.986 177.302 176.300 0.027 0.000 1.623 280 M CA 1.114 56.434 55.300 0.033 0.000 1.065 280 M CB 0.163 32.747 32.600 -0.026 0.000 2.025 280 M HN 0.356 nan 8.290 nan 0.000 0.461 281 G N 5.114 113.936 108.800 0.037 0.000 2.532 281 G HA2 0.489 4.449 3.960 -0.000 0.000 0.291 281 G HA3 0.489 4.449 3.960 -0.000 0.000 0.291 281 G C -2.429 172.478 174.900 0.011 0.000 1.349 281 G CA -1.186 43.937 45.100 0.038 0.000 1.038 281 G HN 0.569 nan 8.290 nan 0.000 0.518 282 P HA -0.048 nan 4.420 nan 0.000 0.219 282 P C 1.487 178.809 177.300 0.036 0.000 1.150 282 P CA 0.672 63.786 63.100 0.024 0.000 0.814 282 P CB 0.216 31.941 31.700 0.041 0.000 0.787 283 N N 0.210 118.941 118.700 0.051 0.000 2.223 283 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 283 N C 1.368 176.921 175.510 0.072 0.000 1.016 283 N CA 1.187 54.279 53.050 0.069 0.000 0.863 283 N CB -0.469 38.067 38.487 0.083 0.000 0.983 283 N HN 0.405 nan 8.380 nan 0.000 0.429 284 E N 0.553 120.782 120.200 0.049 0.000 2.431 284 E HA 0.020 4.370 4.350 -0.000 0.000 0.200 284 E C 1.785 178.339 176.600 -0.078 0.000 0.995 284 E CA -0.130 56.286 56.400 0.027 0.000 0.915 284 E CB -0.396 29.303 29.700 -0.001 0.000 0.930 284 E HN 0.341 nan 8.360 nan 0.000 0.496 285 M N 1.992 121.521 119.600 -0.118 0.000 2.143 285 M HA -0.115 4.365 4.480 -0.000 0.000 0.258 285 M C -0.944 175.022 176.300 -0.556 0.000 1.071 285 M CA 1.950 57.087 55.300 -0.270 0.000 1.088 285 M CB -1.038 31.444 32.600 -0.198 0.000 1.360 285 M HN -0.082 nan 8.290 nan 0.000 0.404 286 P HA -0.189 nan 4.420 nan 0.000 0.218 286 P C 1.464 178.538 177.300 -0.377 0.000 1.146 286 P CA 1.747 64.626 63.100 -0.368 0.000 0.820 286 P CB -0.849 30.944 31.700 0.155 0.000 0.778 287 I N -4.899 115.532 120.570 -0.232 0.000 3.083 287 I HA -0.108 4.062 4.170 -0.000 0.000 0.273 287 I C 1.446 177.437 176.117 -0.210 0.000 1.297 287 I CA 1.286 62.547 61.300 -0.065 0.000 1.452 287 I CB -0.703 37.362 38.000 0.107 0.000 1.078 287 I HN -0.063 nan 8.210 nan 0.000 0.484 288 L N -0.707 120.169 121.223 -0.580 0.000 2.463 288 L HA 0.114 4.454 4.340 -0.000 0.000 0.219 288 L C 2.166 178.519 176.870 -0.862 0.000 1.088 288 L CA 0.251 54.564 54.840 -0.878 0.000 0.849 288 L CB -0.326 41.263 42.059 -0.783 0.000 1.012 288 L HN 0.106 nan 8.230 nan 0.000 0.468 289 F N 1.046 120.774 119.950 -0.371 0.000 2.091 289 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 289 F C -0.207 175.446 175.800 -0.245 0.000 1.103 289 F CA 0.976 58.814 58.000 -0.269 0.000 1.228 289 F CB -2.485 36.427 39.000 -0.147 0.000 0.984 289 F HN 0.090 nan 8.300 nan 0.000 0.477 290 P HA -0.197 nan 4.420 nan 0.000 0.225 290 P C 0.212 177.635 177.300 0.205 0.000 1.141 290 P CA 1.566 64.742 63.100 0.127 0.000 0.774 290 P CB -0.549 31.288 31.700 0.229 0.000 0.760 291 F N -7.052 112.905 119.950 0.012 0.000 2.939 291 F HA 0.607 5.134 4.527 0.000 0.000 0.327 291 F C 1.169 176.953 175.800 -0.028 0.000 1.276 291 F CA -0.477 57.513 58.000 -0.015 0.000 0.973 291 F CB -0.851 38.125 39.000 -0.040 0.000 1.460 291 F HN -0.259 nan 8.300 nan 0.000 0.499 292 A N 1.046 123.718 122.820 -0.246 0.000 2.070 292 A HA 0.228 4.548 4.320 -0.000 0.000 0.220 292 A C 2.261 179.828 177.584 -0.029 0.000 1.159 292 A CA 1.540 53.471 52.037 -0.176 0.000 0.656 292 A CB -0.840 18.086 19.000 -0.122 0.000 0.800 292 A HN 0.726 nan 8.150 nan 0.000 0.453 293 A N -1.144 121.686 122.820 0.017 0.000 2.172 293 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 293 A C 1.998 179.614 177.584 0.052 0.000 1.154 293 A CA 1.544 53.603 52.037 0.036 0.000 0.701 293 A CB -0.299 18.726 19.000 0.042 0.000 0.789 293 A HN 0.668 nan 8.150 nan 0.000 0.465 294 Q N -0.811 119.038 119.800 0.083 0.000 2.396 294 Q HA 0.235 4.575 4.340 -0.000 0.000 0.220 294 Q C -0.006 176.047 176.000 0.088 0.000 0.900 294 Q CA -0.251 55.610 55.803 0.097 0.000 0.925 294 Q CB 0.150 28.977 28.738 0.149 0.000 1.065 294 Q HN 0.622 nan 8.270 nan 0.000 0.535 295 I N 2.267 122.889 120.570 0.086 0.000 2.741 295 I HA -0.125 4.045 4.170 -0.000 0.000 0.288 295 I C 0.979 177.113 176.117 0.029 0.000 1.192 295 I CA 0.828 62.159 61.300 0.052 0.000 1.426 295 I CB 0.465 38.463 38.000 -0.004 0.000 1.367 295 I HN 0.233 nan 8.210 nan 0.000 0.563 296 R N 4.157 124.672 120.500 0.026 0.000 2.469 296 R HA 0.255 4.595 4.340 -0.000 0.000 0.250 296 R C 0.098 176.406 176.300 0.014 0.000 0.909 296 R CA -0.208 55.904 56.100 0.021 0.000 1.050 296 R CB 0.703 31.015 30.300 0.020 0.000 1.256 296 R HN 0.459 nan 8.270 nan 0.000 0.550 297 K N 1.084 121.489 120.400 0.008 0.000 2.513 297 K HA 0.408 4.728 4.320 -0.000 0.000 0.251 297 K C -2.029 174.569 176.600 -0.004 0.000 0.939 297 K CA -0.646 55.642 56.287 0.001 0.000 0.793 297 K CB 1.822 34.318 32.500 -0.007 0.000 1.241 297 K HN -0.174 nan 8.250 nan 0.000 0.431 298 L N 2.920 124.140 121.223 -0.005 0.000 2.438 298 L HA 0.381 4.721 4.340 -0.000 0.000 0.270 298 L C -1.442 175.425 176.870 -0.005 0.000 0.972 298 L CA -0.258 54.575 54.840 -0.013 0.000 0.831 298 L CB 1.995 44.039 42.059 -0.025 0.000 1.273 298 L HN 0.603 nan 8.230 nan 0.000 0.405 299 D N 4.300 124.701 120.400 0.002 0.000 2.590 299 D HA 0.270 4.910 4.640 -0.000 0.000 0.280 299 D C 0.330 176.633 176.300 0.006 0.000 1.197 299 D CA -0.056 53.957 54.000 0.021 0.000 0.967 299 D CB 0.345 41.190 40.800 0.075 0.000 0.987 299 D HN 0.468 nan 8.370 nan 0.000 0.508 300 L N 2.036 123.242 121.223 -0.029 0.000 2.718 300 L HA 0.054 4.394 4.340 -0.000 0.000 0.242 300 L C 1.874 178.694 176.870 -0.084 0.000 1.203 300 L CA -0.259 54.551 54.840 -0.051 0.000 1.011 300 L CB 0.039 42.058 42.059 -0.066 0.000 1.250 300 L HN 0.274 nan 8.230 nan 0.000 0.437 301 L N -0.250 120.859 121.223 -0.191 0.000 2.056 301 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 301 L C 1.448 177.971 176.870 -0.578 0.000 1.078 301 L CA 2.114 56.672 54.840 -0.471 0.000 0.749 301 L CB -0.520 41.053 42.059 -0.810 0.000 0.901 301 L HN 0.353 nan 8.230 nan 0.000 0.433 302 Y N -0.928 119.336 120.300 -0.060 0.000 2.607 302 Y HA 0.469 5.019 4.550 -0.000 0.000 0.266 302 Y C 0.963 176.774 175.900 -0.150 0.000 1.178 302 Y CA -0.343 57.665 58.100 -0.154 0.000 1.226 302 Y CB -0.242 38.049 38.460 -0.282 0.000 1.144 302 Y HN 0.063 nan 8.280 nan 0.000 0.528 303 A N 0.451 123.272 122.820 0.002 0.000 2.351 303 A HA 0.398 4.718 4.320 -0.000 0.000 0.257 303 A C 0.107 177.722 177.584 0.052 0.000 1.087 303 A CA -0.222 51.821 52.037 0.011 0.000 0.798 303 A CB 0.476 19.449 19.000 -0.044 0.000 1.033 303 A HN 0.328 nan 8.150 nan 0.000 0.488 304 L N 2.031 123.298 121.223 0.075 0.000 3.034 304 L HA 0.283 4.623 4.340 -0.000 0.000 0.245 304 L C 0.046 176.959 176.870 0.073 0.000 1.295 304 L CA 0.525 55.426 54.840 0.101 0.000 1.068 304 L CB -0.821 41.324 42.059 0.142 0.000 1.426 304 L HN 0.663 nan 8.230 nan 0.000 0.531 305 L N -2.756 118.496 121.223 0.049 0.000 2.333 305 L HA 0.714 5.054 4.340 -0.000 0.000 0.269 305 L C -0.377 176.580 176.870 0.146 0.000 1.010 305 L CA -0.687 54.177 54.840 0.040 0.000 0.818 305 L CB 1.904 43.928 42.059 -0.058 0.000 1.306 305 L HN 0.064 nan 8.230 nan 0.000 0.430 306 E N 0.149 120.441 120.200 0.153 0.000 2.254 306 E HA 0.160 4.510 4.350 -0.000 0.000 0.261 306 E C 0.309 177.057 176.600 0.247 0.000 1.051 306 E CA -0.601 55.904 56.400 0.175 0.000 0.902 306 E CB 1.593 31.350 29.700 0.094 0.000 1.168 306 E HN 0.736 nan 8.360 nan 0.000 0.423 307 T N 0.055 114.679 114.554 0.116 0.000 2.721 307 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 307 T C 1.607 176.370 174.700 0.104 0.000 1.038 307 T CA 2.264 64.391 62.100 0.044 0.000 1.145 307 T CB -0.104 68.755 68.868 -0.016 0.000 0.858 307 T HN 0.552 nan 8.240 nan 0.000 0.459 308 E N -0.225 120.032 120.200 0.094 0.000 2.028 308 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 308 E C 1.936 178.592 176.600 0.093 0.000 0.984 308 E CA 1.396 57.842 56.400 0.077 0.000 0.800 308 E CB -0.080 29.652 29.700 0.055 0.000 0.758 308 E HN 0.527 nan 8.360 nan 0.000 0.448 309 D N 0.046 120.505 120.400 0.098 0.000 2.190 309 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 309 D C 1.805 178.131 176.300 0.043 0.000 0.992 309 D CA 0.976 55.015 54.000 0.064 0.000 0.854 309 D CB -0.395 40.427 40.800 0.037 0.000 0.936 309 D HN 0.422 nan 8.370 nan 0.000 0.462 310 H N 0.039 119.117 119.070 0.012 0.000 2.321 310 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 310 H C 2.427 177.756 175.328 0.001 0.000 1.087 310 H CA 1.297 57.348 56.048 0.005 0.000 1.319 310 H CB -0.125 29.641 29.762 0.006 0.000 1.379 310 H HN 0.251 nan 8.280 nan 0.000 0.501 311 C N 0.229 119.609 119.300 0.134 0.000 2.429 311 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 311 C C 3.127 178.113 174.990 -0.007 0.000 1.262 311 C CA 1.504 60.556 59.018 0.057 0.000 1.733 311 C CB -1.140 26.630 27.740 0.050 0.000 2.010 311 C HN 0.729 nan 8.230 nan 0.000 0.483 312 T N -0.701 113.859 114.554 0.010 0.000 2.881 312 T HA -0.123 4.226 4.350 -0.000 0.000 0.270 312 T C 1.639 176.352 174.700 0.021 0.000 1.068 312 T CA 1.366 63.460 62.100 -0.010 0.000 1.131 312 T CB -0.340 68.543 68.868 0.026 0.000 0.871 312 T HN 0.582 nan 8.240 nan 0.000 0.479 313 L N -0.218 121.031 121.223 0.043 0.000 2.189 313 L HA 0.228 4.568 4.340 -0.000 0.000 0.199 313 L C 2.612 179.473 176.870 -0.015 0.000 1.074 313 L CA 0.584 55.458 54.840 0.056 0.000 0.783 313 L CB -0.152 41.885 42.059 -0.036 0.000 0.955 313 L HN 0.175 nan 8.230 nan 0.000 0.460 314 I N -0.148 120.406 120.570 -0.026 0.000 2.185 314 I HA -0.374 3.796 4.170 -0.000 0.000 0.246 314 I C 2.464 178.522 176.117 -0.099 0.000 1.088 314 I CA 1.436 62.721 61.300 -0.025 0.000 1.347 314 I CB -1.120 36.893 38.000 0.021 0.000 1.041 314 I HN 0.537 nan 8.210 nan 0.000 0.415 315 Q N 1.633 121.302 119.800 -0.219 0.000 2.248 315 Q HA -0.210 4.130 4.340 -0.000 0.000 0.208 315 Q C 1.796 177.567 176.000 -0.382 0.000 0.984 315 Q CA 1.522 56.990 55.803 -0.558 0.000 0.875 315 Q CB 0.041 28.452 28.738 -0.545 0.000 0.910 315 Q HN 0.592 nan 8.270 nan 0.000 0.433 316 K N -1.270 119.033 120.400 -0.161 0.000 2.393 316 K HA 0.097 4.417 4.320 -0.000 0.000 0.193 316 K C 0.431 177.011 176.600 -0.032 0.000 1.026 316 K CA 0.063 56.303 56.287 -0.078 0.000 1.064 316 K CB 0.655 33.162 32.500 0.011 0.000 0.833 316 K HN 0.089 nan 8.250 nan 0.000 0.521 317 C N 3.128 122.413 119.300 -0.025 0.000 2.566 317 C HA 0.236 4.696 4.460 -0.000 0.000 0.300 317 C C -1.275 173.739 174.990 0.040 0.000 1.147 317 C CA -1.398 57.622 59.018 0.003 0.000 1.644 317 C CB 0.316 28.049 27.740 -0.012 0.000 1.691 317 C HN 0.233 nan 8.230 nan 0.000 0.440 318 P HA -0.072 nan 4.420 nan 0.000 0.226 318 P C 0.702 178.039 177.300 0.062 0.000 1.153 318 P CA 1.427 64.579 63.100 0.087 0.000 0.777 318 P CB 0.337 32.087 31.700 0.084 0.000 0.794 319 N N -0.630 118.098 118.700 0.047 0.000 2.205 319 N HA 0.071 4.811 4.740 -0.000 0.000 0.201 319 N C 0.563 176.095 175.510 0.036 0.000 1.128 319 N CA -0.321 52.752 53.050 0.039 0.000 0.867 319 N CB 0.038 38.546 38.487 0.035 0.000 0.996 319 N HN 0.135 nan 8.380 nan 0.000 0.503 320 L N 2.935 124.179 121.223 0.036 0.000 2.660 320 L HA -0.089 4.251 4.340 -0.000 0.000 0.272 320 L C 1.323 178.215 176.870 0.037 0.000 1.194 320 L CA 0.730 55.589 54.840 0.032 0.000 0.945 320 L CB 0.401 42.479 42.059 0.031 0.000 1.212 320 L HN 0.245 nan 8.230 nan 0.000 0.490 321 E N 3.535 123.754 120.200 0.032 0.000 2.526 321 E HA 0.217 4.567 4.350 -0.000 0.000 0.208 321 E C -0.561 176.061 176.600 0.036 0.000 0.997 321 E CA -0.199 56.222 56.400 0.036 0.000 0.961 321 E CB 0.543 30.262 29.700 0.032 0.000 1.030 321 E HN 0.356 nan 8.360 nan 0.000 0.483 322 V N 1.961 121.891 119.914 0.028 0.000 2.711 322 V HA 0.380 4.500 4.120 -0.000 0.000 0.304 322 V C -1.430 174.679 176.094 0.024 0.000 1.097 322 V CA -0.960 61.354 62.300 0.023 0.000 0.906 322 V CB 1.948 33.770 31.823 -0.002 0.000 1.015 322 V HN 0.255 nan 8.190 nan 0.000 0.427 323 L N 3.979 125.226 121.223 0.040 0.000 2.410 323 L HA 0.766 5.106 4.340 -0.000 0.000 0.270 323 L C -0.706 176.192 176.870 0.047 0.000 0.983 323 L CA 0.166 55.030 54.840 0.040 0.000 0.822 323 L CB 2.190 44.281 42.059 0.053 0.000 1.285 323 L HN 0.726 nan 8.230 nan 0.000 0.409 324 E N 3.200 123.417 120.200 0.030 0.000 2.218 324 E HA 0.621 4.971 4.350 -0.000 0.000 0.263 324 E C -1.207 175.396 176.600 0.005 0.000 0.879 324 E CA -0.613 55.802 56.400 0.024 0.000 0.762 324 E CB 2.251 31.955 29.700 0.006 0.000 1.166 324 E HN 0.681 nan 8.360 nan 0.000 0.415 325 T N 1.241 115.804 114.554 0.016 0.000 2.769 325 T HA 0.356 4.706 4.350 -0.000 0.000 0.306 325 T C -0.989 173.708 174.700 -0.004 0.000 1.400 325 T CA -0.726 61.386 62.100 0.020 0.000 1.007 325 T CB 1.181 70.127 68.868 0.129 0.000 1.392 325 T HN 0.341 nan 8.240 nan 0.000 0.500 326 R N 1.222 121.715 120.500 -0.012 0.000 2.649 326 R HA 0.287 4.627 4.340 -0.000 0.000 0.270 326 R C 1.550 177.820 176.300 -0.050 0.000 1.105 326 R CA 0.036 56.111 56.100 -0.043 0.000 1.193 326 R CB 0.158 30.430 30.300 -0.046 0.000 1.120 326 R HN 0.852 nan 8.270 nan 0.000 0.561 327 N N -0.538 118.130 118.700 -0.054 0.000 2.571 327 N HA -0.087 4.653 4.740 -0.000 0.000 0.189 327 N C 0.956 176.409 175.510 -0.095 0.000 1.154 327 N CA 0.030 53.049 53.050 -0.051 0.000 0.907 327 N CB 0.060 38.537 38.487 -0.017 0.000 0.977 327 N HN 0.153 nan 8.380 nan 0.000 0.449 328 V N 1.023 120.860 119.914 -0.129 0.000 2.469 328 V HA -0.225 3.895 4.120 -0.000 0.000 0.251 328 V C 2.333 178.204 176.094 -0.371 0.000 1.064 328 V CA 1.058 63.250 62.300 -0.180 0.000 1.066 328 V CB -0.620 31.136 31.823 -0.112 0.000 0.667 328 V HN 0.366 nan 8.190 nan 0.000 0.461 329 I N 0.863 121.109 120.570 -0.541 0.000 2.227 329 I HA -0.155 4.015 4.170 -0.000 0.000 0.250 329 I C 1.296 177.264 176.117 -0.249 0.000 1.087 329 I CA 1.537 62.498 61.300 -0.565 0.000 1.352 329 I CB -0.861 36.998 38.000 -0.235 0.000 1.043 329 I HN 0.510 nan 8.210 nan 0.000 0.425 330 G N -0.373 108.339 108.800 -0.148 0.000 2.856 330 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.674 330 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.674 330 G C 0.417 175.299 174.900 -0.030 0.000 1.519 330 G CA -0.020 45.038 45.100 -0.070 0.000 0.940 330 G HN 0.314 nan 8.290 nan 0.000 0.564 331 D N 0.131 120.527 120.400 -0.008 0.000 2.123 331 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 331 D C 2.390 178.700 176.300 0.016 0.000 0.992 331 D CA 1.548 55.555 54.000 0.011 0.000 0.833 331 D CB -0.007 40.802 40.800 0.015 0.000 0.954 331 D HN 0.560 nan 8.370 nan 0.000 0.455 332 R N 0.491 120.999 120.500 0.013 0.000 2.083 332 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 332 R C 2.383 178.703 176.300 0.035 0.000 1.137 332 R CA 1.900 58.015 56.100 0.025 0.000 0.951 332 R CB -0.592 29.722 30.300 0.022 0.000 0.851 332 R HN 0.160 nan 8.270 nan 0.000 0.434 333 G N 0.845 109.657 108.800 0.020 0.000 2.446 333 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 333 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 333 G C 1.440 176.372 174.900 0.053 0.000 1.168 333 G CA 0.950 46.072 45.100 0.036 0.000 0.771 333 G HN 0.278 nan 8.290 nan 0.000 0.551 334 L N 0.099 121.345 121.223 0.038 0.000 2.079 334 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 334 L C 2.888 179.794 176.870 0.061 0.000 1.081 334 L CA 1.268 56.138 54.840 0.050 0.000 0.752 334 L CB -0.334 41.750 42.059 0.042 0.000 0.896 334 L HN 0.304 nan 8.230 nan 0.000 0.433 335 E N -0.555 119.679 120.200 0.057 0.000 2.110 335 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 335 E C 2.254 178.910 176.600 0.094 0.000 0.988 335 E CA 1.316 57.752 56.400 0.059 0.000 0.804 335 E CB -0.044 29.686 29.700 0.049 0.000 0.745 335 E HN 0.305 nan 8.360 nan 0.000 0.458 336 V N 1.375 121.364 119.914 0.126 0.000 2.343 336 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 336 V C 2.291 178.546 176.094 0.268 0.000 1.051 336 V CA 1.352 63.786 62.300 0.224 0.000 1.036 336 V CB -0.402 31.504 31.823 0.138 0.000 0.654 336 V HN 0.233 nan 8.190 nan 0.000 0.451 337 L N 0.634 121.951 121.223 0.157 0.000 2.353 337 L HA -0.006 4.334 4.340 -0.000 0.000 0.220 337 L C 2.281 179.216 176.870 0.108 0.000 1.133 337 L CA 1.857 56.778 54.840 0.135 0.000 0.798 337 L CB -0.691 41.426 42.059 0.097 0.000 0.922 337 L HN 0.229 nan 8.230 nan 0.000 0.445 338 A N -0.896 121.972 122.820 0.081 0.000 1.970 338 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 338 A C 2.061 179.632 177.584 -0.022 0.000 1.170 338 A CA 1.277 53.329 52.037 0.025 0.000 0.645 338 A CB -0.305 18.700 19.000 0.009 0.000 0.816 338 A HN 0.621 nan 8.150 nan 0.000 0.447 339 Q N -2.379 117.387 119.800 -0.058 0.000 2.189 339 Q HA 0.148 4.488 4.340 -0.000 0.000 0.223 339 Q C 0.535 176.358 176.000 -0.295 0.000 0.828 339 Q CA 0.096 55.785 55.803 -0.190 0.000 0.967 339 Q CB -0.070 28.508 28.738 -0.267 0.000 1.139 339 Q HN 0.657 nan 8.270 nan 0.000 0.497 340 Y N 0.164 120.466 120.300 0.003 0.000 2.441 340 Y HA 0.204 4.754 4.550 -0.000 0.000 0.288 340 Y C 0.969 176.875 175.900 0.009 0.000 1.118 340 Y CA 0.185 58.289 58.100 0.006 0.000 1.215 340 Y CB 0.974 39.440 38.460 0.010 0.000 1.118 340 Y HN 0.150 nan 8.280 nan 0.000 0.547 341 C N 2.289 121.681 119.300 0.154 0.000 2.242 341 C HA 0.353 4.813 4.460 -0.000 0.000 0.317 341 C C 1.012 176.037 174.990 0.058 0.000 1.087 341 C CA -1.314 57.762 59.018 0.097 0.000 1.535 341 C CB 0.103 27.898 27.740 0.093 0.000 1.893 341 C HN 0.294 nan 8.230 nan 0.000 0.426 342 K N 0.915 121.338 120.400 0.038 0.000 2.314 342 K HA -0.002 4.318 4.320 -0.000 0.000 0.198 342 K C 1.579 178.197 176.600 0.030 0.000 1.045 342 K CA 0.808 57.107 56.287 0.020 0.000 0.988 342 K CB 0.167 32.669 32.500 0.003 0.000 0.783 342 K HN 0.621 nan 8.250 nan 0.000 0.484 343 Q N 0.598 120.420 119.800 0.037 0.000 2.472 343 Q HA 0.034 4.374 4.340 -0.000 0.000 0.208 343 Q C 0.605 176.632 176.000 0.045 0.000 0.958 343 Q CA -0.058 55.767 55.803 0.037 0.000 0.932 343 Q CB -0.540 28.220 28.738 0.035 0.000 1.007 343 Q HN 0.139 nan 8.270 nan 0.000 0.508 344 L N 2.106 123.360 121.223 0.051 0.000 2.615 344 L HA -0.144 4.196 4.340 -0.000 0.000 0.284 344 L C 1.097 178.009 176.870 0.070 0.000 1.237 344 L CA 0.985 55.861 54.840 0.061 0.000 0.905 344 L CB 0.502 42.602 42.059 0.069 0.000 1.149 344 L HN -0.049 nan 8.230 nan 0.000 0.499 345 K N 4.228 124.672 120.400 0.074 0.000 2.424 345 K HA 0.273 4.593 4.320 -0.000 0.000 0.198 345 K C -0.056 176.618 176.600 0.123 0.000 1.190 345 K CA 0.283 56.622 56.287 0.088 0.000 0.935 345 K CB 0.729 33.269 32.500 0.066 0.000 1.087 345 K HN 0.531 nan 8.250 nan 0.000 0.524 346 R N 0.905 121.472 120.500 0.113 0.000 2.575 346 R HA 0.470 4.810 4.340 -0.000 0.000 0.293 346 R C -1.391 175.005 176.300 0.159 0.000 0.983 346 R CA -0.734 55.460 56.100 0.157 0.000 0.887 346 R CB 1.967 32.285 30.300 0.030 0.000 1.184 346 R HN -0.099 nan 8.270 nan 0.000 0.445 347 L N 1.739 123.111 121.223 0.249 0.000 2.436 347 L HA 0.565 4.905 4.340 -0.000 0.000 0.268 347 L C -1.330 175.681 176.870 0.235 0.000 0.974 347 L CA -0.381 54.571 54.840 0.187 0.000 0.826 347 L CB 1.990 44.133 42.059 0.140 0.000 1.291 347 L HN 0.617 nan 8.230 nan 0.000 0.406 348 R N 5.817 126.425 120.500 0.180 0.000 2.575 348 R HA 0.644 4.984 4.340 -0.000 0.000 0.293 348 R C -1.585 174.781 176.300 0.111 0.000 0.983 348 R CA -0.647 55.563 56.100 0.184 0.000 0.887 348 R CB 1.513 31.951 30.300 0.230 0.000 1.184 348 R HN 0.735 nan 8.270 nan 0.000 0.445 349 I N 3.710 124.345 120.570 0.107 0.000 2.750 349 I HA 0.253 4.423 4.170 -0.000 0.000 0.279 349 I C 0.061 176.263 176.117 0.142 0.000 1.206 349 I CA -0.614 60.739 61.300 0.089 0.000 1.101 349 I CB 0.961 39.003 38.000 0.070 0.000 1.431 349 I HN 0.466 nan 8.210 nan 0.000 0.551 350 E N 4.007 124.260 120.200 0.088 0.000 2.398 350 E HA 0.076 4.426 4.350 -0.000 0.000 0.263 350 E C 0.383 176.889 176.600 -0.157 0.000 1.046 350 E CA -0.235 56.179 56.400 0.023 0.000 0.908 350 E CB 1.353 31.027 29.700 -0.044 0.000 0.963 350 E HN 0.503 nan 8.360 nan 0.000 0.431 351 R N 1.048 121.231 120.500 -0.529 0.000 2.347 351 R HA 0.366 4.706 4.340 -0.000 0.000 0.304 351 R C 0.518 176.667 176.300 -0.252 0.000 1.072 351 R CA -0.107 55.742 56.100 -0.417 0.000 0.980 351 R CB 0.610 30.516 30.300 -0.657 0.000 0.986 351 R HN 0.415 nan 8.270 nan 0.000 0.448 352 G N 1.876 110.593 108.800 -0.139 0.000 2.582 352 G HA2 0.391 4.351 3.960 -0.000 0.000 0.232 352 G HA3 0.391 4.351 3.960 -0.000 0.000 0.232 352 G C -0.617 174.246 174.900 -0.062 0.000 1.458 352 G CA -0.593 44.457 45.100 -0.083 0.000 1.062 352 G HN 0.854 nan 8.290 nan 0.000 0.566 353 A N 0.306 123.108 122.820 -0.029 0.000 2.655 353 A HA 0.338 4.658 4.320 -0.000 0.000 0.297 353 A C 0.072 177.646 177.584 -0.017 0.000 1.461 353 A CA -0.120 51.908 52.037 -0.015 0.000 1.146 353 A CB -0.285 18.717 19.000 0.004 0.000 1.108 353 A HN 0.370 nan 8.150 nan 0.000 0.550 354 D N 2.586 122.971 120.400 -0.024 0.000 3.134 354 D HA 0.155 4.795 4.640 -0.000 0.000 0.248 354 D C 0.786 177.082 176.300 -0.008 0.000 1.273 354 D CA 0.409 54.399 54.000 -0.018 0.000 0.904 354 D CB 0.474 41.259 40.800 -0.024 0.000 1.089 354 D HN 0.769 nan 8.370 nan 0.000 0.478 355 E N -0.519 119.680 120.200 -0.003 0.000 2.941 355 E HA 0.072 4.422 4.350 -0.000 0.000 0.180 355 E C 0.170 176.772 176.600 0.003 0.000 1.130 355 E CA -0.306 56.095 56.400 0.001 0.000 1.243 355 E CB 0.275 29.977 29.700 0.004 0.000 1.582 355 E HN -0.057 nan 8.360 nan 0.000 0.499 356 Q N 1.971 121.774 119.800 0.005 0.000 2.664 356 Q HA 0.257 4.597 4.340 -0.000 0.000 0.223 356 Q C 0.485 176.489 176.000 0.006 0.000 1.298 356 Q CA 0.561 56.368 55.803 0.007 0.000 0.965 356 Q CB 0.134 28.878 28.738 0.010 0.000 1.510 356 Q HN 0.509 nan 8.270 nan 0.000 0.567 357 G N 1.989 110.792 108.800 0.004 0.000 2.578 357 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.284 357 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.284 357 G C 0.288 175.189 174.900 0.001 0.000 1.283 357 G CA -0.214 44.888 45.100 0.003 0.000 0.944 357 G HN 0.437 nan 8.290 nan 0.000 0.558 358 M N 0.031 119.631 119.600 0.000 0.000 1.917 358 M HA 0.268 4.748 4.480 -0.000 0.000 0.208 358 M C 1.903 178.203 176.300 0.001 0.000 1.215 358 M CA 0.272 55.570 55.300 -0.003 0.000 0.944 358 M CB -0.481 32.116 32.600 -0.006 0.000 1.225 358 M HN 0.718 nan 8.290 nan 0.000 0.519 359 E N 0.088 120.287 120.200 -0.001 0.000 2.435 359 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 359 E C -0.673 175.934 176.600 0.013 0.000 1.029 359 E CA 0.547 56.952 56.400 0.009 0.000 0.865 359 E CB 0.219 29.926 29.700 0.011 0.000 0.833 359 E HN 0.599 nan 8.360 nan 0.000 0.510 360 D N -1.161 119.242 120.400 0.005 0.000 2.946 360 D HA 0.025 4.665 4.640 -0.000 0.000 0.337 360 D C 0.039 176.342 176.300 0.004 0.000 1.332 360 D CA -0.634 53.372 54.000 0.009 0.000 0.935 360 D CB 0.003 40.811 40.800 0.014 0.000 1.440 360 D HN -0.243 nan 8.370 nan 0.000 0.540 361 E N -0.880 119.324 120.200 0.006 0.000 2.474 361 E HA 0.137 4.487 4.350 -0.000 0.000 0.195 361 E C 0.140 176.742 176.600 0.003 0.000 1.039 361 E CA 0.469 56.872 56.400 0.005 0.000 0.881 361 E CB 0.185 29.890 29.700 0.008 0.000 0.970 361 E HN 0.469 nan 8.360 nan 0.000 0.486 362 E N -1.623 118.577 120.200 -0.000 0.000 2.562 362 E HA 0.168 4.518 4.350 -0.000 0.000 0.214 362 E C 0.973 177.562 176.600 -0.018 0.000 0.979 362 E CA 0.228 56.626 56.400 -0.004 0.000 1.002 362 E CB 0.927 30.626 29.700 -0.001 0.000 1.048 362 E HN 0.129 nan 8.360 nan 0.000 0.488 363 G N 1.747 110.534 108.800 -0.021 0.000 3.352 363 G HA2 0.220 4.180 3.960 -0.000 0.000 0.236 363 G HA3 0.220 4.180 3.960 -0.000 0.000 0.236 363 G C -0.133 174.751 174.900 -0.027 0.000 1.324 363 G CA 0.153 45.231 45.100 -0.037 0.000 1.404 363 G HN -0.088 nan 8.290 nan 0.000 0.542 364 L N 0.023 121.236 121.223 -0.017 0.000 2.362 364 L HA 0.611 4.951 4.340 -0.000 0.000 0.271 364 L C 0.007 176.875 176.870 -0.003 0.000 1.002 364 L CA -1.248 53.588 54.840 -0.006 0.000 0.818 364 L CB 2.221 44.281 42.059 0.001 0.000 1.298 364 L HN -0.009 nan 8.230 nan 0.000 0.420 365 V N -0.728 119.190 119.914 0.006 0.000 2.581 365 V HA 1.032 5.152 4.120 -0.000 0.000 0.303 365 V C -0.089 176.020 176.094 0.024 0.000 1.041 365 V CA -0.413 61.895 62.300 0.014 0.000 0.907 365 V CB 1.370 33.203 31.823 0.017 0.000 0.994 365 V HN 0.921 nan 8.190 nan 0.000 0.442 366 S N 1.977 117.695 115.700 0.029 0.000 2.688 366 S HA 0.413 4.883 4.470 -0.000 0.000 0.275 366 S C 0.474 175.101 174.600 0.045 0.000 1.175 366 S CA -0.321 57.899 58.200 0.034 0.000 0.818 366 S CB 1.683 64.900 63.200 0.027 0.000 1.157 366 S HN 0.692 nan 8.310 nan 0.000 0.482 367 Q N 0.791 120.620 119.800 0.048 0.000 2.268 367 Q HA -0.179 4.161 4.340 -0.000 0.000 0.213 367 Q C 1.986 178.018 176.000 0.053 0.000 0.995 367 Q CA 2.332 58.169 55.803 0.057 0.000 0.901 367 Q CB -0.516 28.253 28.738 0.051 0.000 0.921 367 Q HN 0.701 nan 8.270 nan 0.000 0.421 368 R N 0.169 120.695 120.500 0.043 0.000 2.070 368 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 368 R C 2.373 178.698 176.300 0.042 0.000 1.138 368 R CA 1.755 57.879 56.100 0.038 0.000 0.936 368 R CB -0.816 29.502 30.300 0.030 0.000 0.839 368 R HN 0.415 nan 8.270 nan 0.000 0.429 369 G N 0.884 109.708 108.800 0.041 0.000 2.421 369 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.216 369 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.216 369 G C 1.507 176.440 174.900 0.056 0.000 1.171 369 G CA 0.722 45.848 45.100 0.043 0.000 0.775 369 G HN 0.233 nan 8.290 nan 0.000 0.543 370 L N -0.014 121.249 121.223 0.067 0.000 1.963 370 L HA -0.147 4.193 4.340 -0.000 0.000 0.220 370 L C 2.734 179.660 176.870 0.092 0.000 1.076 370 L CA 1.557 56.451 54.840 0.091 0.000 0.772 370 L CB -0.362 41.761 42.059 0.106 0.000 0.892 370 L HN 0.247 nan 8.230 nan 0.000 0.435 371 I N -0.782 119.839 120.570 0.085 0.000 2.454 371 I HA -0.262 3.908 4.170 -0.000 0.000 0.254 371 I C 2.502 178.660 176.117 0.069 0.000 1.156 371 I CA 1.105 62.460 61.300 0.092 0.000 1.433 371 I CB -0.015 38.036 38.000 0.086 0.000 1.082 371 I HN 0.255 nan 8.210 nan 0.000 0.432 372 A N 0.487 123.336 122.820 0.049 0.000 1.902 372 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 372 A C 2.170 179.762 177.584 0.013 0.000 1.181 372 A CA 1.780 53.832 52.037 0.024 0.000 0.623 372 A CB -0.822 18.194 19.000 0.028 0.000 0.818 372 A HN 0.500 nan 8.150 nan 0.000 0.443 373 L N -0.429 120.817 121.223 0.039 0.000 2.109 373 L HA 0.086 4.426 4.340 -0.000 0.000 0.207 373 L C 2.600 179.493 176.870 0.039 0.000 1.086 373 L CA 1.964 56.831 54.840 0.044 0.000 0.760 373 L CB -0.701 41.400 42.059 0.070 0.000 0.910 373 L HN 0.311 nan 8.230 nan 0.000 0.437 374 A N -0.932 121.930 122.820 0.070 0.000 1.978 374 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 374 A C 2.163 179.738 177.584 -0.015 0.000 1.170 374 A CA 2.038 54.141 52.037 0.110 0.000 0.636 374 A CB -0.485 18.634 19.000 0.199 0.000 0.810 374 A HN 0.704 nan 8.150 nan 0.000 0.448 375 Q N -1.091 118.612 119.800 -0.162 0.000 2.123 375 Q HA 0.033 4.373 4.340 -0.000 0.000 0.196 375 Q C 2.301 178.122 176.000 -0.299 0.000 0.958 375 Q CA 0.785 56.297 55.803 -0.485 0.000 0.841 375 Q CB -0.330 28.181 28.738 -0.378 0.000 0.915 375 Q HN 0.627 nan 8.270 nan 0.000 0.455 376 G N 1.196 109.910 108.800 -0.144 0.000 2.524 376 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 376 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 376 G C 0.467 175.332 174.900 -0.058 0.000 1.239 376 G CA 0.730 45.775 45.100 -0.090 0.000 0.798 376 G HN 0.419 nan 8.290 nan 0.000 0.557 377 C N 1.065 120.356 119.300 -0.015 0.000 2.146 377 C HA 0.541 5.001 4.460 -0.000 0.000 0.338 377 C C 0.938 175.947 174.990 0.032 0.000 1.074 377 C CA -0.767 58.262 59.018 0.018 0.000 1.527 377 C CB -0.187 27.581 27.740 0.047 0.000 1.915 377 C HN 0.522 nan 8.230 nan 0.000 0.453 378 Q N 0.166 119.979 119.800 0.022 0.000 2.246 378 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 378 Q C 1.337 177.376 176.000 0.065 0.000 0.883 378 Q CA 0.417 56.251 55.803 0.052 0.000 0.952 378 Q CB 0.390 29.154 28.738 0.044 0.000 1.078 378 Q HN 0.752 nan 8.270 nan 0.000 0.493 379 E N 0.217 120.452 120.200 0.059 0.000 2.474 379 E HA 0.087 4.437 4.350 -0.000 0.000 0.195 379 E C -0.079 176.570 176.600 0.081 0.000 1.039 379 E CA -0.145 56.293 56.400 0.063 0.000 0.881 379 E CB 0.497 30.227 29.700 0.051 0.000 0.970 379 E HN 0.345 nan 8.360 nan 0.000 0.486 380 L N 1.854 123.134 121.223 0.095 0.000 2.640 380 L HA -0.104 4.236 4.340 -0.000 0.000 0.280 380 L C 1.151 178.103 176.870 0.138 0.000 1.229 380 L CA 0.930 55.844 54.840 0.124 0.000 0.919 380 L CB 0.247 42.389 42.059 0.138 0.000 1.168 380 L HN 0.151 nan 8.230 nan 0.000 0.496 381 E N 2.591 122.887 120.200 0.161 0.000 2.453 381 E HA 0.036 4.386 4.350 -0.000 0.000 0.211 381 E C -0.862 175.891 176.600 0.254 0.000 0.897 381 E CA 0.036 56.542 56.400 0.175 0.000 1.063 381 E CB 0.877 30.664 29.700 0.145 0.000 1.080 381 E HN 0.488 nan 8.360 nan 0.000 0.512 382 Y N 1.254 121.622 120.300 0.114 0.000 2.354 382 Y HA 0.483 5.033 4.550 0.000 0.000 0.330 382 Y C -1.497 174.473 175.900 0.116 0.000 1.011 382 Y CA -0.932 57.240 58.100 0.121 0.000 1.099 382 Y CB 1.315 39.828 38.460 0.088 0.000 1.179 382 Y HN -0.198 nan 8.280 nan 0.000 0.442 383 M N 6.204 125.741 119.600 -0.106 0.000 2.213 383 M HA 0.828 5.308 4.480 -0.000 0.000 0.286 383 M C -2.000 174.076 176.300 -0.375 0.000 1.008 383 M CA -0.543 54.715 55.300 -0.069 0.000 0.937 383 M CB 1.423 34.098 32.600 0.126 0.000 1.600 383 M HN 0.872 nan 8.290 nan 0.000 0.450 384 A N 4.789 127.455 122.820 -0.257 0.000 2.375 384 A HA 0.807 5.127 4.320 -0.000 0.000 0.295 384 A C -1.723 175.780 177.584 -0.136 0.000 1.066 384 A CA -0.543 51.317 52.037 -0.295 0.000 0.722 384 A CB 1.629 20.504 19.000 -0.207 0.000 1.206 384 A HN 0.600 nan 8.150 nan 0.000 0.435 385 V N 2.642 122.421 119.914 -0.225 0.000 2.733 385 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 385 V C -1.584 174.420 176.094 -0.150 0.000 1.084 385 V CA -0.424 61.812 62.300 -0.106 0.000 0.905 385 V CB 1.862 33.628 31.823 -0.094 0.000 1.010 385 V HN 0.806 nan 8.190 nan 0.000 0.424 386 Y N 3.498 123.753 120.300 -0.075 0.000 2.518 386 Y HA 0.514 5.064 4.550 -0.000 0.000 0.344 386 Y C 0.289 176.158 175.900 -0.052 0.000 0.982 386 Y CA -0.043 58.014 58.100 -0.072 0.000 1.234 386 Y CB 1.666 40.090 38.460 -0.060 0.000 1.114 386 Y HN 0.454 nan 8.280 nan 0.000 0.515 387 V N 2.494 122.434 119.914 0.043 0.000 2.837 387 V HA 0.276 4.396 4.120 -0.000 0.000 0.310 387 V C 0.472 176.588 176.094 0.036 0.000 1.059 387 V CA 0.011 62.331 62.300 0.032 0.000 1.004 387 V CB 2.013 33.842 31.823 0.010 0.000 1.045 387 V HN 0.835 nan 8.190 nan 0.000 0.465 388 S N 2.501 118.218 115.700 0.029 0.000 2.523 388 S HA 0.280 4.750 4.470 -0.000 0.000 0.217 388 S C -0.332 174.277 174.600 0.015 0.000 0.996 388 S CA -0.027 58.186 58.200 0.022 0.000 0.921 388 S CB 0.010 63.220 63.200 0.018 0.000 0.829 388 S HN 0.867 nan 8.310 nan 0.000 0.495 389 D N 0.303 120.713 120.400 0.017 0.000 2.687 389 D HA 0.351 4.991 4.640 -0.000 0.000 0.213 389 D C -1.565 174.751 176.300 0.027 0.000 1.218 389 D CA -0.514 53.496 54.000 0.017 0.000 0.768 389 D CB 0.592 41.402 40.800 0.017 0.000 1.855 389 D HN 0.020 nan 8.370 nan 0.000 0.508 390 I N 0.037 120.625 120.570 0.030 0.000 3.294 390 I HA 0.885 5.055 4.170 -0.000 0.000 0.311 390 I C -0.196 175.953 176.117 0.052 0.000 1.111 390 I CA -0.841 60.489 61.300 0.049 0.000 0.976 390 I CB 1.838 39.876 38.000 0.065 0.000 1.260 390 I HN 0.258 nan 8.210 nan 0.000 0.474 391 T N -0.308 114.286 114.554 0.066 0.000 2.993 391 T HA 0.351 4.701 4.350 -0.000 0.000 0.312 391 T C 0.408 175.152 174.700 0.074 0.000 1.115 391 T CA -0.555 61.581 62.100 0.061 0.000 1.027 391 T CB 0.950 69.848 68.868 0.049 0.000 1.116 391 T HN 0.679 nan 8.240 nan 0.000 0.464 392 N N 1.951 120.694 118.700 0.070 0.000 2.133 392 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 392 N C 1.548 177.086 175.510 0.047 0.000 1.012 392 N CA 1.662 54.753 53.050 0.068 0.000 0.871 392 N CB 0.034 38.554 38.487 0.055 0.000 1.011 392 N HN 0.772 nan 8.380 nan 0.000 0.435 393 E N 0.969 121.193 120.200 0.040 0.000 2.077 393 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 393 E C 2.015 178.638 176.600 0.038 0.000 0.989 393 E CA 1.537 57.955 56.400 0.029 0.000 0.800 393 E CB 0.083 29.801 29.700 0.030 0.000 0.746 393 E HN 0.407 nan 8.360 nan 0.000 0.452 394 S N 1.013 116.748 115.700 0.058 0.000 2.359 394 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 394 S C 2.193 176.836 174.600 0.073 0.000 1.035 394 S CA 1.192 59.438 58.200 0.076 0.000 1.018 394 S CB -0.790 62.464 63.200 0.091 0.000 0.876 394 S HN 0.308 nan 8.310 nan 0.000 0.448 395 L N 1.359 122.625 121.223 0.073 0.000 2.079 395 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 395 L C 2.903 179.756 176.870 -0.027 0.000 1.081 395 L CA 1.783 56.648 54.840 0.041 0.000 0.752 395 L CB -0.810 41.292 42.059 0.072 0.000 0.896 395 L HN 0.416 nan 8.230 nan 0.000 0.433 396 E N 0.154 120.337 120.200 -0.027 0.000 2.110 396 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 396 E C 2.277 178.825 176.600 -0.086 0.000 0.988 396 E CA 1.568 57.925 56.400 -0.072 0.000 0.804 396 E CB -0.042 29.620 29.700 -0.063 0.000 0.745 396 E HN 0.555 nan 8.360 nan 0.000 0.458 397 S N 0.511 116.191 115.700 -0.034 0.000 2.461 397 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 397 S C 1.956 176.578 174.600 0.037 0.000 1.005 397 S CA 0.226 58.419 58.200 -0.012 0.000 0.942 397 S CB -0.057 63.212 63.200 0.116 0.000 0.776 397 S HN 0.070 nan 8.310 nan 0.000 0.514 398 I N 2.947 123.531 120.570 0.022 0.000 2.090 398 I HA -0.073 4.097 4.170 -0.000 0.000 0.236 398 I C 2.672 178.762 176.117 -0.044 0.000 1.064 398 I CA 1.780 63.087 61.300 0.013 0.000 1.324 398 I CB -1.955 36.007 38.000 -0.064 0.000 1.044 398 I HN 0.483 nan 8.210 nan 0.000 0.399 399 G N -1.002 107.728 108.800 -0.116 0.000 2.916 399 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.205 399 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.205 399 G C 1.502 176.319 174.900 -0.139 0.000 1.163 399 G CA 0.876 45.895 45.100 -0.136 0.000 0.821 399 G HN 0.350 nan 8.290 nan 0.000 0.515 400 T N -1.775 112.685 114.554 -0.157 0.000 3.018 400 T HA 0.219 4.569 4.350 -0.000 0.000 0.246 400 T C 1.542 176.054 174.700 -0.313 0.000 1.026 400 T CA 0.279 62.207 62.100 -0.287 0.000 1.081 400 T CB 0.183 68.789 68.868 -0.436 0.000 0.970 400 T HN 0.375 nan 8.240 nan 0.000 0.475 401 Y N 0.593 120.882 120.300 -0.018 0.000 2.576 401 Y HA 0.371 4.921 4.550 -0.000 0.000 0.282 401 Y C 0.256 176.159 175.900 0.004 0.000 1.139 401 Y CA -0.494 57.604 58.100 -0.004 0.000 1.265 401 Y CB 0.430 38.893 38.460 0.005 0.000 1.376 401 Y HN 0.014 nan 8.280 nan 0.000 0.511 402 L N 0.687 122.019 121.223 0.180 0.000 2.358 402 L HA 0.424 4.764 4.340 -0.000 0.000 0.274 402 L C 0.447 177.361 176.870 0.074 0.000 1.136 402 L CA -0.302 54.609 54.840 0.119 0.000 0.970 402 L CB 0.316 42.448 42.059 0.122 0.000 1.314 402 L HN -0.168 nan 8.230 nan 0.000 0.427 403 K N 2.128 122.564 120.400 0.060 0.000 2.062 403 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 403 K C 0.983 177.607 176.600 0.040 0.000 1.051 403 K CA 1.186 57.492 56.287 0.032 0.000 0.941 403 K CB -0.145 32.369 32.500 0.024 0.000 0.719 403 K HN 0.807 nan 8.250 nan 0.000 0.440 404 N N 0.882 119.616 118.700 0.057 0.000 2.484 404 N HA 0.009 4.749 4.740 -0.000 0.000 0.245 404 N C -0.469 175.095 175.510 0.090 0.000 1.184 404 N CA 0.029 53.118 53.050 0.065 0.000 0.884 404 N CB -0.439 38.085 38.487 0.062 0.000 1.182 404 N HN 0.056 nan 8.380 nan 0.000 0.493 405 L N -0.017 121.263 121.223 0.094 0.000 2.418 405 L HA 0.038 4.378 4.340 -0.000 0.000 0.274 405 L C 0.453 177.404 176.870 0.136 0.000 1.135 405 L CA -0.302 54.616 54.840 0.131 0.000 0.870 405 L CB 0.576 42.712 42.059 0.128 0.000 1.154 405 L HN 0.393 nan 8.230 nan 0.000 0.462 406 C N 2.177 121.577 119.300 0.167 0.000 2.535 406 C HA 0.178 4.638 4.460 -0.000 0.000 0.310 406 C C 0.630 175.751 174.990 0.218 0.000 1.344 406 C CA -0.069 59.052 59.018 0.172 0.000 1.831 406 C CB 0.013 27.851 27.740 0.164 0.000 2.284 406 C HN 0.724 nan 8.230 nan 0.000 0.523 407 D N -0.149 120.387 120.400 0.226 0.000 2.549 407 D HA 0.375 5.015 4.640 -0.000 0.000 0.251 407 D C -1.634 174.731 176.300 0.108 0.000 1.153 407 D CA -0.101 54.014 54.000 0.191 0.000 0.861 407 D CB 1.068 41.991 40.800 0.205 0.000 1.207 407 D HN 0.216 nan 8.370 nan 0.000 0.543 408 F N 4.008 123.984 119.950 0.043 0.000 2.507 408 F HA 0.507 5.034 4.527 -0.000 0.000 0.328 408 F C -0.953 174.807 175.800 -0.068 0.000 1.136 408 F CA -0.627 57.374 58.000 0.001 0.000 0.930 408 F CB 1.046 40.140 39.000 0.156 0.000 1.166 408 F HN 0.149 nan 8.300 nan 0.000 0.436 409 R N 7.015 127.010 120.500 -0.842 0.000 2.532 409 R HA 0.630 4.970 4.340 -0.000 0.000 0.297 409 R C -1.987 173.814 176.300 -0.832 0.000 0.984 409 R CA -1.046 54.653 56.100 -0.668 0.000 0.884 409 R CB 2.391 32.485 30.300 -0.343 0.000 1.182 409 R HN 0.555 nan 8.270 nan 0.000 0.442 410 L N 3.904 124.760 121.223 -0.613 0.000 2.409 410 L HA 0.619 4.959 4.340 -0.000 0.000 0.272 410 L C -1.497 175.136 176.870 -0.395 0.000 0.980 410 L CA -0.772 53.797 54.840 -0.452 0.000 0.826 410 L CB 2.211 44.174 42.059 -0.161 0.000 1.268 410 L HN 0.434 nan 8.230 nan 0.000 0.407 411 V N 5.622 125.294 119.914 -0.403 0.000 2.668 411 V HA 0.402 4.522 4.120 -0.000 0.000 0.304 411 V C -0.512 175.469 176.094 -0.188 0.000 1.071 411 V CA -0.760 61.331 62.300 -0.348 0.000 0.894 411 V CB 2.193 33.604 31.823 -0.686 0.000 1.008 411 V HN 0.667 nan 8.190 nan 0.000 0.425 412 L N 4.155 125.334 121.223 -0.073 0.000 2.307 412 L HA 0.739 5.079 4.340 -0.000 0.000 0.284 412 L C -0.693 176.206 176.870 0.048 0.000 1.023 412 L CA -0.313 54.518 54.840 -0.015 0.000 0.810 412 L CB 1.061 43.096 42.059 -0.039 0.000 1.231 412 L HN 0.301 nan 8.230 nan 0.000 0.423 413 L N 3.338 124.597 121.223 0.060 0.000 2.410 413 L HA 0.191 4.531 4.340 -0.000 0.000 0.273 413 L C 0.952 177.842 176.870 0.033 0.000 1.152 413 L CA 0.462 55.341 54.840 0.065 0.000 0.855 413 L CB 0.247 42.340 42.059 0.057 0.000 1.129 413 L HN 0.718 nan 8.230 nan 0.000 0.463 414 D N 1.658 122.076 120.400 0.031 0.000 2.378 414 D HA -0.106 4.534 4.640 -0.000 0.000 0.227 414 D C 1.869 178.166 176.300 -0.005 0.000 1.012 414 D CA 0.303 54.302 54.000 -0.002 0.000 0.905 414 D CB 0.170 40.964 40.800 -0.009 0.000 0.895 414 D HN 0.366 nan 8.370 nan 0.000 0.532 415 R N 1.320 121.824 120.500 0.005 0.000 2.094 415 R HA -0.118 4.221 4.340 -0.000 0.000 0.239 415 R C 0.512 176.810 176.300 -0.003 0.000 1.137 415 R CA 1.148 57.249 56.100 0.002 0.000 0.943 415 R CB -0.252 30.051 30.300 0.005 0.000 0.850 415 R HN 0.018 nan 8.270 nan 0.000 0.433 416 E N 0.929 121.128 120.200 -0.002 0.000 2.398 416 E HA -0.043 4.307 4.350 -0.000 0.000 0.263 416 E C 0.769 177.362 176.600 -0.012 0.000 1.046 416 E CA 0.052 56.449 56.400 -0.005 0.000 0.908 416 E CB 0.770 30.469 29.700 -0.001 0.000 0.963 416 E HN 0.293 nan 8.360 nan 0.000 0.431 417 E N 2.229 122.423 120.200 -0.011 0.000 2.035 417 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 417 E C 0.243 176.834 176.600 -0.016 0.000 0.966 417 E CA 0.923 57.314 56.400 -0.015 0.000 0.823 417 E CB 0.045 29.738 29.700 -0.011 0.000 0.791 417 E HN 0.356 nan 8.360 nan 0.000 0.459 418 R N 0.726 121.220 120.500 -0.010 0.000 2.294 418 R HA 0.490 4.830 4.340 -0.000 0.000 0.319 418 R C -0.521 175.776 176.300 -0.004 0.000 0.984 418 R CA -0.577 55.518 56.100 -0.008 0.000 0.861 418 R CB 1.059 31.356 30.300 -0.005 0.000 1.104 418 R HN -0.045 nan 8.270 nan 0.000 0.451 419 I N 2.444 123.012 120.570 -0.004 0.000 2.336 419 I HA 0.110 4.280 4.170 -0.000 0.000 0.292 419 I C 1.094 177.216 176.117 0.009 0.000 0.991 419 I CA 0.246 61.547 61.300 0.002 0.000 1.227 419 I CB 1.607 39.606 38.000 -0.001 0.000 1.366 419 I HN 0.730 nan 8.210 nan 0.000 0.466 420 T N 3.784 118.346 114.554 0.013 0.000 1.809 420 T HA -0.295 4.055 4.350 -0.000 0.000 0.124 420 T C 0.203 174.914 174.700 0.019 0.000 1.995 420 T CA 1.952 64.062 62.100 0.017 0.000 0.991 420 T CB -0.654 68.227 68.868 0.022 0.000 0.854 420 T HN 0.829 nan 8.240 nan 0.000 0.377 421 D N 1.111 121.527 120.400 0.026 0.000 2.198 421 D HA 0.440 5.080 4.640 -0.000 0.000 0.245 421 D C 0.565 176.886 176.300 0.035 0.000 1.079 421 D CA -0.685 53.332 54.000 0.029 0.000 0.854 421 D CB 0.814 41.634 40.800 0.033 0.000 1.148 421 D HN 0.118 nan 8.370 nan 0.000 0.456 422 L N 2.509 123.751 121.223 0.032 0.000 2.265 422 L HA 0.342 4.682 4.340 -0.000 0.000 0.195 422 L C -1.863 175.038 176.870 0.052 0.000 1.083 422 L CA 0.150 55.009 54.840 0.032 0.000 0.798 422 L CB -1.360 40.708 42.059 0.015 0.000 0.989 422 L HN 0.445 nan 8.230 nan 0.000 0.472 423 P HA 0.055 nan 4.420 nan 0.000 0.262 423 P C 0.255 177.617 177.300 0.103 0.000 1.199 423 P CA 0.826 63.971 63.100 0.075 0.000 0.763 423 P CB 0.248 31.985 31.700 0.060 0.000 0.790 424 L N 2.104 123.416 121.223 0.148 0.000 2.667 424 L HA 0.056 4.395 4.340 -0.000 0.000 0.232 424 L C 1.199 178.186 176.870 0.196 0.000 1.138 424 L CA 0.097 55.048 54.840 0.187 0.000 0.921 424 L CB -0.294 41.932 42.059 0.280 0.000 1.180 424 L HN 0.243 nan 8.230 nan 0.000 0.487 425 D N 0.797 121.312 120.400 0.192 0.000 2.170 425 D HA -0.232 4.408 4.640 -0.000 0.000 0.193 425 D C 1.541 178.008 176.300 0.277 0.000 1.004 425 D CA 1.463 55.623 54.000 0.266 0.000 0.860 425 D CB -0.128 40.813 40.800 0.236 0.000 0.931 425 D HN 0.355 nan 8.370 nan 0.000 0.448 426 N N -0.042 118.754 118.700 0.159 0.000 2.415 426 N HA 0.005 4.745 4.740 -0.000 0.000 0.176 426 N C 1.890 177.382 175.510 -0.031 0.000 1.042 426 N CA 0.783 53.856 53.050 0.038 0.000 0.902 426 N CB 0.106 38.615 38.487 0.037 0.000 0.986 426 N HN 0.236 nan 8.380 nan 0.000 0.447 427 G N 1.313 110.128 108.800 0.026 0.000 2.404 427 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.213 427 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.213 427 G C 1.672 176.557 174.900 -0.025 0.000 1.189 427 G CA 0.381 45.489 45.100 0.012 0.000 0.796 427 G HN 0.086 nan 8.290 nan 0.000 0.532 428 V N 1.106 121.031 119.914 0.019 0.000 2.278 428 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 428 V C 2.817 178.806 176.094 -0.176 0.000 1.062 428 V CA 2.418 64.662 62.300 -0.094 0.000 1.038 428 V CB -0.547 31.220 31.823 -0.093 0.000 0.646 428 V HN 0.398 nan 8.190 nan 0.000 0.447 429 R N 0.515 120.908 120.500 -0.179 0.000 2.083 429 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 429 R C 2.557 178.602 176.300 -0.426 0.000 1.137 429 R CA 2.176 58.047 56.100 -0.381 0.000 0.951 429 R CB -0.369 29.550 30.300 -0.635 0.000 0.851 429 R HN 0.710 nan 8.270 nan 0.000 0.434 430 S N 0.828 116.337 115.700 -0.318 0.000 2.428 430 S HA -0.124 4.346 4.470 -0.000 0.000 0.230 430 S C 1.976 176.425 174.600 -0.251 0.000 1.014 430 S CA 0.767 58.794 58.200 -0.287 0.000 0.957 430 S CB -0.392 62.679 63.200 -0.215 0.000 0.784 430 S HN 0.311 nan 8.310 nan 0.000 0.499 431 L N 2.206 123.290 121.223 -0.232 0.000 1.976 431 L HA 0.110 4.450 4.340 -0.000 0.000 0.209 431 L C 2.160 178.872 176.870 -0.265 0.000 1.071 431 L CA 1.664 56.357 54.840 -0.245 0.000 0.746 431 L CB -1.213 40.687 42.059 -0.264 0.000 0.890 431 L HN 0.355 nan 8.230 nan 0.000 0.432 432 L N -0.911 120.132 121.223 -0.299 0.000 2.261 432 L HA -0.215 4.125 4.340 -0.000 0.000 0.216 432 L C 2.453 179.200 176.870 -0.205 0.000 1.114 432 L CA 1.146 55.817 54.840 -0.281 0.000 0.777 432 L CB -0.391 41.493 42.059 -0.290 0.000 0.910 432 L HN 0.355 nan 8.230 nan 0.000 0.440 433 I N -1.057 119.358 120.570 -0.258 0.000 2.703 433 I HA -0.051 4.119 4.170 -0.000 0.000 0.259 433 I C 2.487 178.500 176.117 -0.172 0.000 1.151 433 I CA 0.919 62.069 61.300 -0.250 0.000 1.470 433 I CB -0.380 37.373 38.000 -0.413 0.000 1.112 433 I HN 0.179 nan 8.210 nan 0.000 0.437 434 G N 0.204 108.901 108.800 -0.172 0.000 2.395 434 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.214 434 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.214 434 G C 0.736 175.581 174.900 -0.092 0.000 1.177 434 G CA 0.138 45.160 45.100 -0.129 0.000 0.794 434 G HN 0.398 nan 8.290 nan 0.000 0.532 435 C N 2.520 121.759 119.300 -0.101 0.000 2.365 435 C HA 0.329 4.789 4.460 -0.000 0.000 0.412 435 C C 1.592 176.552 174.990 -0.050 0.000 1.023 435 C CA -0.893 58.088 59.018 -0.061 0.000 1.287 435 C CB -1.134 26.565 27.740 -0.068 0.000 1.675 435 C HN 0.604 nan 8.230 nan 0.000 0.520 436 K N 0.728 121.109 120.400 -0.032 0.000 2.444 436 K HA 0.067 4.387 4.320 -0.000 0.000 0.193 436 K C 1.185 177.788 176.600 0.006 0.000 1.024 436 K CA 0.404 56.680 56.287 -0.019 0.000 1.077 436 K CB 0.194 32.684 32.500 -0.018 0.000 0.833 436 K HN 0.495 nan 8.250 nan 0.000 0.517 437 K N 0.805 121.216 120.400 0.019 0.000 2.426 437 K HA 0.108 4.428 4.320 -0.000 0.000 0.193 437 K C 0.042 176.680 176.600 0.063 0.000 1.028 437 K CA -0.289 56.023 56.287 0.041 0.000 1.047 437 K CB 0.104 32.632 32.500 0.048 0.000 0.821 437 K HN 0.041 nan 8.250 nan 0.000 0.513 438 L N 1.388 122.645 121.223 0.058 0.000 2.540 438 L HA -0.079 4.261 4.340 -0.000 0.000 0.276 438 L C 0.988 177.926 176.870 0.113 0.000 1.212 438 L CA 0.983 55.880 54.840 0.095 0.000 0.893 438 L CB 0.373 42.468 42.059 0.061 0.000 1.138 438 L HN 0.033 nan 8.230 nan 0.000 0.491 439 R N 2.808 123.409 120.500 0.167 0.000 2.383 439 R HA 0.302 4.642 4.340 -0.000 0.000 0.205 439 R C -0.189 176.273 176.300 0.271 0.000 0.875 439 R CA -0.217 55.992 56.100 0.182 0.000 1.039 439 R CB 0.574 30.970 30.300 0.160 0.000 1.267 439 R HN 0.507 nan 8.270 nan 0.000 0.635 440 R N 0.389 121.094 120.500 0.343 0.000 2.621 440 R HA 0.401 4.741 4.340 -0.000 0.000 0.292 440 R C -1.641 174.952 176.300 0.487 0.000 0.969 440 R CA -0.619 55.795 56.100 0.523 0.000 0.887 440 R CB 2.259 32.939 30.300 0.635 0.000 1.180 440 R HN -0.127 nan 8.270 nan 0.000 0.450 441 F N 1.380 121.404 119.950 0.124 0.000 2.588 441 F HA 0.651 5.178 4.527 -0.000 0.000 0.318 441 F C -1.668 174.006 175.800 -0.210 0.000 1.155 441 F CA -0.438 57.587 58.000 0.041 0.000 0.967 441 F CB 1.834 40.867 39.000 0.055 0.000 1.236 441 F HN 0.655 nan 8.300 nan 0.000 0.455 442 A N 5.395 127.763 122.820 -0.754 0.000 2.356 442 A HA 0.813 5.132 4.320 -0.000 0.000 0.310 442 A C -2.230 175.024 177.584 -0.550 0.000 1.075 442 A CA -0.463 51.192 52.037 -0.637 0.000 0.746 442 A CB 0.929 19.739 19.000 -0.317 0.000 1.221 442 A HN 0.725 nan 8.150 nan 0.000 0.443 443 F N 2.476 122.102 119.950 -0.540 0.000 3.090 443 F HA 0.386 4.913 4.527 -0.000 0.000 0.381 443 F C -1.472 174.274 175.800 -0.091 0.000 1.231 443 F CA -0.516 57.293 58.000 -0.318 0.000 1.177 443 F CB 1.007 39.849 39.000 -0.264 0.000 1.598 443 F HN 0.599 nan 8.300 nan 0.000 0.589 444 Y N 6.183 126.278 120.300 -0.343 0.000 2.328 444 Y HA 0.729 5.279 4.550 -0.000 0.000 0.337 444 Y C -1.058 174.710 175.900 -0.219 0.000 0.966 444 Y CA -0.489 57.481 58.100 -0.217 0.000 1.136 444 Y CB 0.855 39.199 38.460 -0.193 0.000 1.170 444 Y HN 0.464 nan 8.280 nan 0.000 0.470 445 L N 4.210 125.383 121.223 -0.084 0.000 2.426 445 L HA 0.636 4.976 4.340 -0.000 0.000 0.260 445 L C -0.478 176.414 176.870 0.035 0.000 1.233 445 L CA -1.424 53.389 54.840 -0.045 0.000 1.267 445 L CB 1.375 43.361 42.059 -0.123 0.000 1.814 445 L HN 0.452 nan 8.230 nan 0.000 0.561 446 R N -0.573 119.883 120.500 -0.073 0.000 2.875 446 R HA 0.234 4.574 4.340 -0.000 0.000 0.251 446 R C 0.608 176.797 176.300 -0.186 0.000 1.123 446 R CA -0.548 55.408 56.100 -0.239 0.000 1.064 446 R CB 1.320 31.516 30.300 -0.174 0.000 1.205 446 R HN 0.432 nan 8.270 nan 0.000 0.503 447 Q N 0.852 120.492 119.800 -0.266 0.000 1.975 447 Q HA -0.078 4.262 4.340 -0.000 0.000 0.205 447 Q C 1.389 177.358 176.000 -0.053 0.000 0.990 447 Q CA 2.405 58.134 55.803 -0.124 0.000 0.845 447 Q CB -0.836 27.821 28.738 -0.134 0.000 0.913 447 Q HN 0.895 nan 8.270 nan 0.000 0.420 448 G N -0.476 108.291 108.800 -0.055 0.000 3.186 448 G HA2 0.069 4.029 3.960 -0.000 0.000 0.214 448 G HA3 0.069 4.029 3.960 -0.000 0.000 0.214 448 G C 1.115 176.016 174.900 0.001 0.000 1.222 448 G CA 0.547 45.633 45.100 -0.023 0.000 0.921 448 G HN 0.463 nan 8.290 nan 0.000 0.504 449 G N -0.306 108.497 108.800 0.006 0.000 2.430 449 G HA2 0.234 4.194 3.960 -0.000 0.000 0.216 449 G HA3 0.234 4.194 3.960 -0.000 0.000 0.216 449 G C 0.237 175.191 174.900 0.091 0.000 1.146 449 G CA 0.393 45.512 45.100 0.032 0.000 0.793 449 G HN 0.410 nan 8.290 nan 0.000 0.537 450 L N 0.403 121.682 121.223 0.095 0.000 2.472 450 L HA 0.546 4.886 4.340 -0.000 0.000 0.260 450 L C 0.009 176.926 176.870 0.079 0.000 0.963 450 L CA -0.517 54.400 54.840 0.128 0.000 0.829 450 L CB 2.390 44.573 42.059 0.208 0.000 1.348 450 L HN 0.112 nan 8.230 nan 0.000 0.408 451 T N -1.433 113.158 114.554 0.062 0.000 2.927 451 T HA 0.329 4.679 4.350 -0.000 0.000 0.281 451 T C 0.537 175.249 174.700 0.021 0.000 0.998 451 T CA -0.472 61.647 62.100 0.031 0.000 1.019 451 T CB 1.038 69.914 68.868 0.013 0.000 1.061 451 T HN 0.590 nan 8.240 nan 0.000 0.518 452 D N 0.315 120.729 120.400 0.023 0.000 2.239 452 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 452 D C 1.817 178.085 176.300 -0.053 0.000 0.993 452 D CA 0.672 54.686 54.000 0.023 0.000 0.874 452 D CB -0.165 40.654 40.800 0.032 0.000 0.922 452 D HN 0.423 nan 8.370 nan 0.000 0.464 453 L N 0.439 121.594 121.223 -0.113 0.000 2.044 453 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 453 L C 2.152 178.713 176.870 -0.515 0.000 1.075 453 L CA 1.958 56.628 54.840 -0.283 0.000 0.747 453 L CB -1.037 40.880 42.059 -0.237 0.000 0.903 453 L HN 0.101 nan 8.230 nan 0.000 0.435 454 G N 0.131 108.769 108.800 -0.270 0.000 2.422 454 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 454 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 454 G C 1.697 176.607 174.900 0.017 0.000 1.146 454 G CA 0.706 45.750 45.100 -0.094 0.000 0.769 454 G HN 0.391 nan 8.290 nan 0.000 0.547 455 L N 1.354 122.588 121.223 0.018 0.000 2.017 455 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 455 L C 3.241 180.191 176.870 0.133 0.000 1.073 455 L CA 1.909 56.796 54.840 0.079 0.000 0.745 455 L CB -0.290 41.812 42.059 0.071 0.000 0.894 455 L HN 0.458 nan 8.230 nan 0.000 0.432 456 S N -1.678 114.040 115.700 0.031 0.000 2.474 456 S HA -0.198 4.272 4.470 -0.000 0.000 0.235 456 S C 1.814 176.469 174.600 0.091 0.000 0.997 456 S CA 0.526 58.753 58.200 0.045 0.000 0.949 456 S CB -0.676 62.496 63.200 -0.047 0.000 0.766 456 S HN 0.524 nan 8.310 nan 0.000 0.517 457 Y N 1.429 121.781 120.300 0.088 0.000 2.145 457 Y HA -0.052 4.497 4.550 -0.000 0.000 0.286 457 Y C 2.451 178.413 175.900 0.104 0.000 1.145 457 Y CA 1.105 59.284 58.100 0.131 0.000 1.148 457 Y CB -0.314 38.243 38.460 0.162 0.000 0.981 457 Y HN 0.255 nan 8.280 nan 0.000 0.507 458 I N -0.225 120.500 120.570 0.258 0.000 2.118 458 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 458 I C 2.713 178.892 176.117 0.104 0.000 1.070 458 I CA 1.620 63.004 61.300 0.139 0.000 1.327 458 I CB -1.051 37.059 38.000 0.184 0.000 1.034 458 I HN 0.278 nan 8.210 nan 0.000 0.405 459 G N -0.349 108.533 108.800 0.138 0.000 2.442 459 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 459 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 459 G C 1.604 176.387 174.900 -0.195 0.000 1.141 459 G CA 0.784 45.754 45.100 -0.216 0.000 0.763 459 G HN 0.448 nan 8.290 nan 0.000 0.554 460 Q N -1.107 118.595 119.800 -0.163 0.000 2.137 460 Q HA 0.037 4.377 4.340 -0.000 0.000 0.198 460 Q C 1.042 176.755 176.000 -0.478 0.000 0.960 460 Q CA 0.667 56.255 55.803 -0.358 0.000 0.847 460 Q CB 0.058 28.518 28.738 -0.463 0.000 0.915 460 Q HN 0.672 nan 8.270 nan 0.000 0.448 461 Y N -0.333 119.928 120.300 -0.064 0.000 2.681 461 Y HA 0.222 4.771 4.550 -0.000 0.000 0.267 461 Y C -0.086 175.731 175.900 -0.139 0.000 1.166 461 Y CA -0.526 57.511 58.100 -0.105 0.000 1.209 461 Y CB 1.176 39.555 38.460 -0.135 0.000 1.161 461 Y HN 0.003 nan 8.280 nan 0.000 0.534 462 S N -0.174 115.502 115.700 -0.040 0.000 2.269 462 S HA 0.291 4.761 4.470 -0.000 0.000 0.194 462 S C -2.263 172.304 174.600 -0.055 0.000 1.547 462 S CA -1.303 56.851 58.200 -0.077 0.000 1.186 462 S CB 1.009 64.127 63.200 -0.137 0.000 1.069 462 S HN 0.042 nan 8.310 nan 0.000 0.473 463 P HA 0.106 nan 4.420 nan 0.000 0.230 463 P C 0.377 177.675 177.300 -0.003 0.000 1.168 463 P CA 0.596 63.679 63.100 -0.027 0.000 0.793 463 P CB 0.198 31.888 31.700 -0.018 0.000 0.851 464 N N -0.627 118.079 118.700 0.010 0.000 2.250 464 N HA 0.060 4.800 4.740 -0.000 0.000 0.190 464 N C 0.227 175.777 175.510 0.066 0.000 1.116 464 N CA 0.107 53.180 53.050 0.037 0.000 0.881 464 N CB 0.547 39.058 38.487 0.040 0.000 1.006 464 N HN -0.030 nan 8.380 nan 0.000 0.491 465 V N 2.019 121.970 119.914 0.061 0.000 2.540 465 V HA 0.009 4.129 4.120 -0.000 0.000 0.297 465 V C 1.384 177.560 176.094 0.137 0.000 1.024 465 V CA 0.570 62.938 62.300 0.112 0.000 1.105 465 V CB 0.884 32.762 31.823 0.090 0.000 0.938 465 V HN 0.121 nan 8.190 nan 0.000 0.482 466 R N 2.643 123.262 120.500 0.199 0.000 2.250 466 R HA 0.160 4.500 4.340 -0.000 0.000 0.194 466 R C -0.101 176.390 176.300 0.317 0.000 0.927 466 R CA -0.019 56.211 56.100 0.216 0.000 1.052 466 R CB 0.634 31.049 30.300 0.192 0.000 1.055 466 R HN 0.730 nan 8.270 nan 0.000 0.537 467 W N 1.015 122.404 121.300 0.149 0.000 2.739 467 W HA 0.567 5.227 4.660 0.000 0.000 0.331 467 W C -1.619 175.029 176.519 0.215 0.000 1.049 467 W CA -0.781 56.661 57.345 0.161 0.000 1.234 467 W CB 1.161 30.691 29.460 0.117 0.000 1.404 467 W HN -0.262 nan 8.180 nan 0.000 0.477 468 M N 7.019 126.269 119.600 -0.584 0.000 2.327 468 M HA 0.344 4.824 4.480 -0.000 0.000 0.298 468 M C -1.574 174.234 176.300 -0.820 0.000 1.065 468 M CA -1.172 53.729 55.300 -0.665 0.000 0.916 468 M CB 1.975 34.554 32.600 -0.034 0.000 1.630 468 M HN 0.388 nan 8.290 nan 0.000 0.442 469 L N 5.443 126.125 121.223 -0.902 0.000 2.296 469 L HA 0.709 5.049 4.340 -0.000 0.000 0.286 469 L C -1.853 174.907 176.870 -0.182 0.000 1.023 469 L CA -0.222 54.399 54.840 -0.365 0.000 0.812 469 L CB 1.078 43.017 42.059 -0.201 0.000 1.223 469 L HN 0.657 nan 8.230 nan 0.000 0.421 470 L N 5.448 126.630 121.223 -0.069 0.000 2.362 470 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 470 L C 0.857 177.641 176.870 -0.144 0.000 0.998 470 L CA -0.532 54.277 54.840 -0.052 0.000 0.820 470 L CB 1.734 43.755 42.059 -0.064 0.000 1.270 470 L HN 0.774 nan 8.230 nan 0.000 0.415 471 G N 0.905 109.560 108.800 -0.242 0.000 3.197 471 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.167 471 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.167 471 G C -0.204 174.313 174.900 -0.638 0.000 1.914 471 G CA 0.149 44.788 45.100 -0.769 0.000 0.956 471 G HN 0.516 nan 8.290 nan 0.000 0.480 472 Y N 0.985 121.002 120.300 -0.472 0.000 2.933 472 Y HA 0.362 4.912 4.550 -0.000 0.000 0.380 472 Y C 0.971 176.758 175.900 -0.187 0.000 1.056 472 Y CA -0.785 57.130 58.100 -0.309 0.000 1.704 472 Y CB -0.036 38.264 38.460 -0.268 0.000 1.558 472 Y HN 0.231 nan 8.280 nan 0.000 0.501 473 V N -1.267 118.623 119.914 -0.039 0.000 2.834 473 V HA 0.950 5.070 4.120 -0.000 0.000 0.301 473 V C 0.587 176.695 176.094 0.025 0.000 1.066 473 V CA 0.024 62.353 62.300 0.048 0.000 1.052 473 V CB 0.859 32.754 31.823 0.121 0.000 1.021 473 V HN 0.611 nan 8.190 nan 0.000 0.480 474 G N 3.374 112.216 108.800 0.071 0.000 2.712 474 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.683 474 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.683 474 G C -0.274 174.612 174.900 -0.023 0.000 1.320 474 G CA 0.264 45.415 45.100 0.086 0.000 0.847 474 G HN 1.016 nan 8.290 nan 0.000 0.553 475 E N -0.886 119.316 120.200 0.003 0.000 2.502 475 E HA 0.313 4.663 4.350 -0.000 0.000 0.206 475 E C 1.028 177.610 176.600 -0.029 0.000 0.821 475 E CA 0.580 56.961 56.400 -0.031 0.000 1.354 475 E CB 1.030 30.730 29.700 -0.000 0.000 1.336 475 E HN 1.115 nan 8.360 nan 0.000 0.675 476 S N 0.057 115.795 115.700 0.062 0.000 2.671 476 S HA 0.211 4.681 4.470 -0.000 0.000 0.277 476 S C -0.474 174.301 174.600 0.292 0.000 1.165 476 S CA -0.683 57.582 58.200 0.108 0.000 0.822 476 S CB 1.433 64.674 63.200 0.070 0.000 1.150 476 S HN -0.158 nan 8.310 nan 0.000 0.479 477 D N 0.928 121.494 120.400 0.276 0.000 2.354 477 D HA -0.034 4.606 4.640 -0.000 0.000 0.216 477 D C 1.465 177.837 176.300 0.120 0.000 0.970 477 D CA 0.899 55.058 54.000 0.266 0.000 0.905 477 D CB -0.056 40.840 40.800 0.160 0.000 0.903 477 D HN 0.535 nan 8.370 nan 0.000 0.508 478 E N 0.280 120.546 120.200 0.111 0.000 2.047 478 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 478 E C 2.326 178.957 176.600 0.051 0.000 0.987 478 E CA 1.149 57.584 56.400 0.058 0.000 0.799 478 E CB -0.400 29.328 29.700 0.046 0.000 0.752 478 E HN 0.412 nan 8.360 nan 0.000 0.449 479 G N 1.370 110.231 108.800 0.102 0.000 2.432 479 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 479 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 479 G C 1.608 176.518 174.900 0.017 0.000 1.135 479 G CA 0.510 45.663 45.100 0.089 0.000 0.767 479 G HN 0.163 nan 8.290 nan 0.000 0.550 480 L N 0.241 121.368 121.223 -0.160 0.000 2.027 480 L HA 0.163 4.503 4.340 -0.000 0.000 0.206 480 L C 2.643 179.451 176.870 -0.103 0.000 1.074 480 L CA 1.736 56.317 54.840 -0.431 0.000 0.745 480 L CB -0.360 41.050 42.059 -1.082 0.000 0.898 480 L HN 0.218 nan 8.230 nan 0.000 0.433 481 M N -1.167 118.387 119.600 -0.078 0.000 2.159 481 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 481 M C 2.023 178.316 176.300 -0.012 0.000 1.063 481 M CA 1.576 56.855 55.300 -0.036 0.000 1.110 481 M CB -0.260 32.323 32.600 -0.028 0.000 1.374 481 M HN 0.307 nan 8.290 nan 0.000 0.411 482 E N -0.041 120.164 120.200 0.007 0.000 2.051 482 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 482 E C 1.733 178.346 176.600 0.022 0.000 0.991 482 E CA 1.292 57.694 56.400 0.004 0.000 0.799 482 E CB -0.744 28.957 29.700 0.002 0.000 0.748 482 E HN 0.595 nan 8.360 nan 0.000 0.449 483 F N 2.210 122.106 119.950 -0.090 0.000 2.120 483 F HA -0.263 4.264 4.527 -0.000 0.000 0.300 483 F C 2.507 178.256 175.800 -0.084 0.000 1.095 483 F CA 2.071 60.021 58.000 -0.083 0.000 1.249 483 F CB -0.421 38.523 39.000 -0.092 0.000 0.995 483 F HN 0.018 nan 8.300 nan 0.000 0.480 484 S N 1.323 116.955 115.700 -0.113 0.000 2.447 484 S HA -0.224 4.246 4.470 -0.000 0.000 0.233 484 S C 1.953 176.423 174.600 -0.217 0.000 1.006 484 S CA 0.816 58.894 58.200 -0.203 0.000 0.957 484 S CB -0.917 62.248 63.200 -0.058 0.000 0.773 484 S HN 0.721 nan 8.310 nan 0.000 0.507 485 R N 0.802 121.198 120.500 -0.174 0.000 2.313 485 R HA 0.321 4.661 4.340 -0.000 0.000 0.199 485 R C 1.203 177.396 176.300 -0.179 0.000 0.958 485 R CA 0.537 56.550 56.100 -0.145 0.000 1.047 485 R CB -0.427 29.811 30.300 -0.103 0.000 0.955 485 R HN 0.409 nan 8.270 nan 0.000 0.481 486 G N 0.338 108.978 108.800 -0.267 0.000 3.194 486 G HA2 0.234 4.194 3.960 -0.000 0.000 0.160 486 G HA3 0.234 4.194 3.960 -0.000 0.000 0.160 486 G C -0.576 174.146 174.900 -0.298 0.000 1.267 486 G CA -0.134 44.804 45.100 -0.271 0.000 0.962 486 G HN 0.317 nan 8.290 nan 0.000 0.612 487 C N 0.975 120.089 119.300 -0.311 0.000 3.268 487 C HA -0.085 4.374 4.460 -0.000 0.000 0.277 487 C C -0.883 174.024 174.990 -0.138 0.000 1.259 487 C CA -0.184 58.687 59.018 -0.244 0.000 2.353 487 C CB -1.826 25.691 27.740 -0.372 0.000 1.482 487 C HN 0.523 nan 8.230 nan 0.000 0.513 488 P HA -0.098 nan 4.420 nan 0.000 0.217 488 P C 0.822 178.110 177.300 -0.020 0.000 1.150 488 P CA 1.671 64.736 63.100 -0.058 0.000 0.832 488 P CB 0.058 31.729 31.700 -0.048 0.000 0.787 489 N N -1.721 116.978 118.700 -0.002 0.000 2.200 489 N HA 0.142 4.882 4.740 -0.000 0.000 0.224 489 N C -0.148 175.405 175.510 0.072 0.000 1.179 489 N CA -0.324 52.749 53.050 0.038 0.000 0.877 489 N CB 0.294 38.808 38.487 0.045 0.000 1.072 489 N HN 0.037 nan 8.380 nan 0.000 0.519 490 L N 1.826 123.085 121.223 0.060 0.000 2.534 490 L HA -0.038 4.302 4.340 -0.000 0.000 0.271 490 L C 0.861 177.825 176.870 0.157 0.000 1.178 490 L CA 0.857 55.764 54.840 0.111 0.000 0.907 490 L CB 0.795 42.902 42.059 0.081 0.000 1.164 490 L HN 0.338 nan 8.230 nan 0.000 0.482 491 Q N 3.157 123.084 119.800 0.211 0.000 2.481 491 Q HA 0.092 4.432 4.340 -0.000 0.000 0.219 491 Q C 0.075 176.272 176.000 0.327 0.000 0.920 491 Q CA 0.366 56.319 55.803 0.250 0.000 0.915 491 Q CB 0.771 29.642 28.738 0.223 0.000 1.057 491 Q HN 0.472 nan 8.270 nan 0.000 0.581 492 K N 0.945 121.557 120.400 0.354 0.000 2.345 492 K HA 0.471 4.791 4.320 -0.000 0.000 0.255 492 K C -1.883 174.983 176.600 0.442 0.000 0.934 492 K CA -0.519 56.038 56.287 0.451 0.000 0.801 492 K CB 1.375 34.110 32.500 0.390 0.000 1.137 492 K HN -0.057 nan 8.250 nan 0.000 0.424 493 L N 3.382 124.874 121.223 0.448 0.000 2.406 493 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 493 L C -1.618 175.470 176.870 0.364 0.000 0.980 493 L CA 0.008 55.038 54.840 0.316 0.000 0.831 493 L CB 1.909 44.128 42.059 0.267 0.000 1.253 493 L HN 0.713 nan 8.230 nan 0.000 0.406 494 E N 6.398 126.786 120.200 0.313 0.000 2.199 494 E HA 0.670 5.020 4.350 -0.000 0.000 0.265 494 E C -1.366 175.376 176.600 0.237 0.000 0.882 494 E CA -0.488 56.180 56.400 0.446 0.000 0.759 494 E CB 1.945 31.994 29.700 0.581 0.000 1.148 494 E HN 0.570 nan 8.360 nan 0.000 0.412 495 M N 2.891 122.581 119.600 0.151 0.000 2.324 495 M HA 0.498 4.978 4.480 -0.000 0.000 0.288 495 M C -0.676 175.582 176.300 -0.069 0.000 1.097 495 M CA -0.879 54.430 55.300 0.016 0.000 0.928 495 M CB 2.448 35.036 32.600 -0.019 0.000 1.648 495 M HN 0.389 nan 8.290 nan 0.000 0.460 496 R N 0.941 121.383 120.500 -0.097 0.000 2.795 496 R HA 0.852 5.192 4.340 -0.000 0.000 0.275 496 R C 0.077 176.098 176.300 -0.464 0.000 0.981 496 R CA -0.113 55.886 56.100 -0.168 0.000 0.917 496 R CB 2.014 32.340 30.300 0.043 0.000 1.202 496 R HN 0.994 nan 8.270 nan 0.000 0.469 497 G N 1.038 109.562 108.800 -0.459 0.000 2.326 497 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.286 497 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.286 497 G C -0.473 174.005 174.900 -0.704 0.000 1.096 497 G CA 0.106 44.704 45.100 -0.835 0.000 1.003 497 G HN 0.633 nan 8.290 nan 0.000 0.503 498 C N -0.750 118.341 119.300 -0.349 0.000 2.529 498 C HA 0.636 5.096 4.460 -0.000 0.000 0.329 498 C C 1.934 176.732 174.990 -0.320 0.000 1.194 498 C CA -0.096 58.703 59.018 -0.364 0.000 1.779 498 C CB 1.293 28.883 27.740 -0.250 0.000 2.322 498 C HN 1.116 nan 8.230 nan 0.000 0.500 499 C N -0.801 118.169 119.300 -0.551 0.000 2.693 499 C HA 0.427 4.887 4.460 -0.000 0.000 0.286 499 C C 0.341 175.151 174.990 -0.300 0.000 1.277 499 C CA -0.609 58.191 59.018 -0.364 0.000 1.705 499 C CB -2.519 25.030 27.740 -0.317 0.000 1.879 499 C HN 0.648 nan 8.230 nan 0.000 0.607 500 F N 2.651 122.606 119.950 0.008 0.000 2.382 500 F HA 0.444 4.971 4.527 -0.000 0.000 0.331 500 F C 1.256 177.091 175.800 0.060 0.000 1.121 500 F CA -0.132 57.880 58.000 0.020 0.000 1.183 500 F CB 0.802 39.803 39.000 0.001 0.000 1.207 500 F HN 0.229 nan 8.300 nan 0.000 0.555 501 S N 0.520 116.375 115.700 0.258 0.000 2.713 501 S HA 0.262 4.732 4.470 -0.000 0.000 0.283 501 S C 0.768 175.488 174.600 0.201 0.000 1.161 501 S CA -0.746 57.563 58.200 0.181 0.000 0.999 501 S CB 1.405 64.675 63.200 0.116 0.000 1.039 501 S HN 0.743 nan 8.310 nan 0.000 0.548 502 E N 0.912 121.233 120.200 0.202 0.000 2.023 502 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 502 E C 2.256 178.918 176.600 0.102 0.000 1.003 502 E CA 1.393 57.907 56.400 0.191 0.000 0.809 502 E CB -0.221 29.591 29.700 0.187 0.000 0.755 502 E HN 0.685 nan 8.360 nan 0.000 0.449 503 R N 1.212 121.760 120.500 0.079 0.000 2.235 503 R HA 0.019 4.359 4.340 -0.000 0.000 0.213 503 R C 1.803 178.125 176.300 0.036 0.000 1.059 503 R CA 1.219 57.348 56.100 0.048 0.000 0.997 503 R CB -0.250 30.073 30.300 0.038 0.000 0.884 503 R HN 0.107 nan 8.270 nan 0.000 0.462 504 A N 2.176 125.029 122.820 0.054 0.000 1.872 504 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 504 A C 2.321 179.898 177.584 -0.012 0.000 1.187 504 A CA 1.065 53.122 52.037 0.032 0.000 0.614 504 A CB -0.241 18.810 19.000 0.086 0.000 0.826 504 A HN 0.213 nan 8.150 nan 0.000 0.442 505 I N 0.165 120.741 120.570 0.010 0.000 2.090 505 I HA -0.273 3.897 4.170 -0.000 0.000 0.236 505 I C 3.041 179.149 176.117 -0.015 0.000 1.064 505 I CA 1.600 62.888 61.300 -0.021 0.000 1.324 505 I CB -1.741 36.248 38.000 -0.017 0.000 1.044 505 I HN 0.362 nan 8.210 nan 0.000 0.399 506 A N 1.132 123.954 122.820 0.003 0.000 1.915 506 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 506 A C 2.525 180.091 177.584 -0.029 0.000 1.198 506 A CA 2.941 54.978 52.037 -0.000 0.000 0.647 506 A CB -0.981 18.028 19.000 0.015 0.000 0.825 506 A HN 0.518 nan 8.150 nan 0.000 0.456 507 A N -0.873 121.932 122.820 -0.025 0.000 1.929 507 A HA 0.301 4.621 4.320 -0.000 0.000 0.216 507 A C 2.454 180.008 177.584 -0.050 0.000 1.176 507 A CA 1.760 53.775 52.037 -0.036 0.000 0.628 507 A CB -0.842 18.143 19.000 -0.025 0.000 0.816 507 A HN 1.127 nan 8.150 nan 0.000 0.444 508 A N -0.566 122.224 122.820 -0.049 0.000 1.969 508 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 508 A C 2.136 179.690 177.584 -0.050 0.000 1.169 508 A CA 1.507 53.515 52.037 -0.048 0.000 0.635 508 A CB -0.733 18.238 19.000 -0.048 0.000 0.810 508 A HN 0.326 nan 8.150 nan 0.000 0.445 509 V N 0.347 120.226 119.914 -0.058 0.000 2.407 509 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 509 V C 2.704 178.697 176.094 -0.168 0.000 1.055 509 V CA 2.425 64.665 62.300 -0.099 0.000 1.049 509 V CB -1.077 30.677 31.823 -0.116 0.000 0.662 509 V HN 0.695 nan 8.190 nan 0.000 0.455 510 T N -1.116 113.350 114.554 -0.148 0.000 2.904 510 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 510 T C 1.798 176.436 174.700 -0.104 0.000 1.059 510 T CA 0.838 62.850 62.100 -0.147 0.000 1.137 510 T CB -0.129 68.670 68.868 -0.114 0.000 0.879 510 T HN 0.431 nan 8.240 nan 0.000 0.467 511 K N 0.394 120.742 120.400 -0.087 0.000 2.366 511 K HA 0.190 4.510 4.320 -0.000 0.000 0.198 511 K C 0.303 176.852 176.600 -0.085 0.000 1.044 511 K CA 0.215 56.455 56.287 -0.079 0.000 0.973 511 K CB -0.080 32.375 32.500 -0.075 0.000 0.767 511 K HN 0.336 nan 8.250 nan 0.000 0.475 512 L N 3.034 124.206 121.223 -0.085 0.000 2.315 512 L HA 0.085 4.425 4.340 -0.000 0.000 0.283 512 L C -1.297 175.546 176.870 -0.044 0.000 1.089 512 L CA -1.420 53.376 54.840 -0.075 0.000 0.833 512 L CB 0.958 42.988 42.059 -0.049 0.000 1.170 512 L HN -0.024 nan 8.230 nan 0.000 0.442 513 P HA -0.064 nan 4.420 nan 0.000 0.219 513 P C 0.955 178.273 177.300 0.030 0.000 1.150 513 P CA 0.854 63.946 63.100 -0.012 0.000 0.814 513 P CB 0.564 32.249 31.700 -0.024 0.000 0.787 514 S N -1.170 114.561 115.700 0.050 0.000 2.526 514 S HA 0.145 4.615 4.470 -0.000 0.000 0.220 514 S C 0.670 175.375 174.600 0.174 0.000 1.017 514 S CA -0.477 57.784 58.200 0.101 0.000 0.930 514 S CB -0.355 62.896 63.200 0.086 0.000 0.856 514 S HN -0.001 nan 8.310 nan 0.000 0.497 515 L N 3.747 125.067 121.223 0.162 0.000 2.601 515 L HA 0.051 4.391 4.340 -0.000 0.000 0.277 515 L C 1.005 178.105 176.870 0.383 0.000 1.219 515 L CA 0.771 55.754 54.840 0.238 0.000 0.915 515 L CB 0.427 42.581 42.059 0.157 0.000 1.160 515 L HN 0.243 nan 8.230 nan 0.000 0.494 516 R N 3.092 123.895 120.500 0.505 0.000 2.541 516 R HA 0.235 4.575 4.340 -0.000 0.000 0.332 516 R C -0.752 175.948 176.300 0.667 0.000 0.951 516 R CA -0.503 56.014 56.100 0.695 0.000 1.136 516 R CB 0.107 30.768 30.300 0.602 0.000 1.449 516 R HN 0.484 nan 8.270 nan 0.000 0.531 517 Y N 0.571 121.128 120.300 0.428 0.000 2.482 517 Y HA 0.568 5.118 4.550 -0.000 0.000 0.334 517 Y C -2.239 173.859 175.900 0.330 0.000 1.091 517 Y CA -1.498 56.801 58.100 0.332 0.000 1.027 517 Y CB 2.200 40.832 38.460 0.287 0.000 1.306 517 Y HN 0.035 nan 8.280 nan 0.000 0.446 518 L N 7.432 128.712 121.223 0.095 0.000 2.516 518 L HA 0.523 4.863 4.340 -0.000 0.000 0.267 518 L C -2.267 174.636 176.870 0.056 0.000 0.957 518 L CA -0.492 54.462 54.840 0.190 0.000 0.860 518 L CB 1.496 43.683 42.059 0.214 0.000 1.265 518 L HN 0.723 nan 8.230 nan 0.000 0.403 519 W N 7.457 128.770 121.300 0.021 0.000 2.702 519 W HA 0.835 5.495 4.660 0.000 0.000 0.331 519 W C -2.257 174.255 176.519 -0.013 0.000 1.049 519 W CA -0.885 56.446 57.345 -0.024 0.000 1.230 519 W CB 1.824 31.306 29.460 0.036 0.000 1.408 519 W HN 0.387 nan 8.180 nan 0.000 0.492 520 V N 5.095 124.363 119.914 -1.078 0.000 2.777 520 V HA 0.271 4.391 4.120 -0.000 0.000 0.306 520 V C -0.750 174.694 176.094 -1.083 0.000 1.112 520 V CA -0.689 61.036 62.300 -0.958 0.000 0.917 520 V CB 1.737 33.251 31.823 -0.516 0.000 1.018 520 V HN 0.629 nan 8.190 nan 0.000 0.426 521 Q N 2.264 121.595 119.800 -0.782 0.000 2.330 521 Q HA 0.646 4.986 4.340 -0.000 0.000 0.269 521 Q C 0.001 175.975 176.000 -0.042 0.000 1.022 521 Q CA 0.136 55.749 55.803 -0.315 0.000 0.796 521 Q CB 2.015 30.627 28.738 -0.209 0.000 1.271 521 Q HN 1.447 nan 8.270 nan 0.000 0.450 522 G N 3.307 112.211 108.800 0.175 0.000 3.405 522 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.676 522 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.676 522 G C -1.463 173.577 174.900 0.233 0.000 1.039 522 G CA -0.053 45.129 45.100 0.136 0.000 0.855 522 G HN 0.845 nan 8.290 nan 0.000 0.443 523 Y N -1.273 118.993 120.300 -0.057 0.000 2.620 523 Y HA 0.706 5.256 4.550 -0.000 0.000 0.331 523 Y C -0.234 175.655 175.900 -0.018 0.000 1.173 523 Y CA -2.162 55.917 58.100 -0.034 0.000 1.076 523 Y CB 0.725 39.175 38.460 -0.017 0.000 1.336 523 Y HN 0.569 nan 8.280 nan 0.000 0.459 524 R N 2.282 122.761 120.500 -0.035 0.000 2.413 524 R HA 0.532 4.872 4.340 -0.000 0.000 0.333 524 R C 0.396 176.612 176.300 -0.140 0.000 1.074 524 R CA 0.510 56.551 56.100 -0.098 0.000 0.982 524 R CB 0.117 30.412 30.300 -0.009 0.000 0.981 524 R HN 0.835 nan 8.270 nan 0.000 0.452 525 A N 2.462 125.087 122.820 -0.325 0.000 2.372 525 A HA 0.521 4.841 4.320 -0.000 0.000 0.271 525 A C -0.048 177.489 177.584 -0.078 0.000 1.470 525 A CA -0.195 51.691 52.037 -0.252 0.000 0.827 525 A CB 0.559 19.339 19.000 -0.366 0.000 1.405 525 A HN 0.687 nan 8.150 nan 0.000 0.536 526 S N -3.172 112.506 115.700 -0.038 0.000 2.556 526 S HA 0.362 4.832 4.470 -0.000 0.000 0.280 526 S C 0.093 174.689 174.600 -0.006 0.000 1.141 526 S CA 0.003 58.194 58.200 -0.015 0.000 0.883 526 S CB 0.857 64.062 63.200 0.008 0.000 1.103 526 S HN 0.679 nan 8.310 nan 0.000 0.453 527 M N 2.537 122.131 119.600 -0.009 0.000 2.144 527 M HA -0.065 4.415 4.480 -0.000 0.000 0.260 527 M C 1.949 178.253 176.300 0.007 0.000 1.067 527 M CA 2.542 57.840 55.300 -0.004 0.000 1.095 527 M CB -1.285 31.312 32.600 -0.006 0.000 1.365 527 M HN 0.959 nan 8.290 nan 0.000 0.406 528 T N -0.887 113.673 114.554 0.010 0.000 2.580 528 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 528 T C 1.746 176.460 174.700 0.023 0.000 1.063 528 T CA 1.867 63.976 62.100 0.015 0.000 1.170 528 T CB -1.232 67.646 68.868 0.017 0.000 0.863 528 T HN 0.656 nan 8.240 nan 0.000 0.418 529 G N 0.258 109.079 108.800 0.034 0.000 2.225 529 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.254 529 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.254 529 G C 0.849 175.778 174.900 0.049 0.000 0.988 529 G CA 0.411 45.541 45.100 0.051 0.000 0.625 529 G HN 0.469 nan 8.290 nan 0.000 0.527 530 Q N 0.414 120.235 119.800 0.036 0.000 2.482 530 Q HA 0.094 4.434 4.340 -0.000 0.000 0.209 530 Q C 1.566 177.587 176.000 0.035 0.000 0.961 530 Q CA 1.329 57.150 55.803 0.031 0.000 0.945 530 Q CB -0.030 28.721 28.738 0.022 0.000 1.012 530 Q HN 0.697 nan 8.270 nan 0.000 0.515 531 D N 0.144 120.571 120.400 0.045 0.000 2.162 531 D HA -0.057 4.583 4.640 -0.000 0.000 0.203 531 D C 1.738 178.068 176.300 0.050 0.000 0.967 531 D CA 0.473 54.502 54.000 0.047 0.000 0.840 531 D CB 0.042 40.878 40.800 0.059 0.000 0.972 531 D HN 0.139 nan 8.370 nan 0.000 0.482 532 L N 0.168 121.427 121.223 0.061 0.000 2.131 532 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 532 L C 2.011 178.911 176.870 0.050 0.000 1.092 532 L CA 0.518 55.391 54.840 0.055 0.000 0.759 532 L CB -0.216 41.875 42.059 0.054 0.000 0.903 532 L HN 0.133 nan 8.230 nan 0.000 0.435 533 M N -0.176 119.449 119.600 0.043 0.000 2.260 533 M HA -0.246 4.234 4.480 -0.000 0.000 0.261 533 M C 1.969 178.289 176.300 0.032 0.000 1.066 533 M CA 1.490 56.813 55.300 0.038 0.000 1.082 533 M CB -0.984 31.634 32.600 0.029 0.000 1.388 533 M HN 0.450 nan 8.290 nan 0.000 0.419 534 Q N 0.362 120.176 119.800 0.023 0.000 2.362 534 Q HA -0.030 4.310 4.340 -0.000 0.000 0.215 534 Q C 0.996 176.991 176.000 -0.007 0.000 0.944 534 Q CA 0.402 56.209 55.803 0.008 0.000 0.964 534 Q CB -0.582 28.159 28.738 0.005 0.000 0.998 534 Q HN 0.731 nan 8.270 nan 0.000 0.488 535 M N -3.391 116.211 119.600 0.004 0.000 2.327 535 M HA 0.516 4.996 4.480 -0.000 0.000 0.365 535 M C 0.009 176.292 176.300 -0.028 0.000 0.992 535 M CA -0.417 54.856 55.300 -0.045 0.000 0.985 535 M CB 0.940 33.520 32.600 -0.033 0.000 1.673 535 M HN 0.059 nan 8.290 nan 0.000 0.586 536 A N 2.419 125.264 122.820 0.042 0.000 2.770 536 A HA 0.403 4.722 4.320 -0.000 0.000 0.292 536 A C 0.092 177.706 177.584 0.051 0.000 1.604 536 A CA -0.220 51.872 52.037 0.091 0.000 1.271 536 A CB -0.466 18.574 19.000 0.066 0.000 1.075 536 A HN 0.656 nan 8.150 nan 0.000 0.573 537 R N 1.755 122.279 120.500 0.039 0.000 2.652 537 R HA 0.460 4.800 4.340 -0.000 0.000 0.272 537 R C -2.415 173.973 176.300 0.147 0.000 1.162 537 R CA -1.275 54.868 56.100 0.073 0.000 1.199 537 R CB -0.337 30.000 30.300 0.061 0.000 1.166 537 R HN 0.372 nan 8.270 nan 0.000 0.597 538 P HA 0.189 nan 4.420 nan 0.000 0.281 538 P C -1.050 176.397 177.300 0.246 0.000 1.249 538 P CA -0.365 62.755 63.100 0.033 0.000 0.810 538 P CB 0.335 31.970 31.700 -0.109 0.000 1.008 539 Y N -2.884 117.569 120.300 0.255 0.000 4.907 539 Y HA -0.198 4.352 4.550 -0.000 0.000 0.246 539 Y C -0.072 176.099 175.900 0.453 0.000 0.968 539 Y CA 0.382 58.684 58.100 0.336 0.000 1.961 539 Y CB -1.666 37.014 38.460 0.365 0.000 1.487 539 Y HN 0.498 nan 8.280 nan 0.000 0.575 540 W N 3.331 124.723 121.300 0.153 0.000 2.278 540 W HA 0.452 5.112 4.660 -0.000 0.000 0.317 540 W C -0.742 175.664 176.519 -0.189 0.000 1.030 540 W CA -0.769 56.504 57.345 -0.120 0.000 1.334 540 W CB 0.717 30.054 29.460 -0.205 0.000 1.215 540 W HN -0.114 nan 8.180 nan 0.000 0.405 541 N N 5.295 123.575 118.700 -0.701 0.000 2.479 541 N HA 0.314 5.054 4.740 -0.000 0.000 0.285 541 N C -0.483 174.494 175.510 -0.888 0.000 1.075 541 N CA -0.247 52.375 53.050 -0.713 0.000 0.967 541 N CB 1.650 39.588 38.487 -0.916 0.000 1.137 541 N HN 0.443 nan 8.380 nan 0.000 0.472 542 I N -1.811 118.467 120.570 -0.486 0.000 2.569 542 I HA 0.617 4.787 4.170 -0.000 0.000 0.296 542 I C -0.563 175.454 176.117 -0.167 0.000 1.028 542 I CA -0.403 60.687 61.300 -0.350 0.000 1.082 542 I CB 1.849 39.731 38.000 -0.197 0.000 1.264 542 I HN 0.370 nan 8.210 nan 0.000 0.429 543 E N 5.637 125.793 120.200 -0.073 0.000 2.343 543 E HA 0.711 5.061 4.350 -0.000 0.000 0.270 543 E C -1.559 175.081 176.600 0.067 0.000 0.895 543 E CA -0.869 55.552 56.400 0.034 0.000 0.767 543 E CB 2.746 32.534 29.700 0.147 0.000 1.248 543 E HN 0.577 nan 8.360 nan 0.000 0.440 544 L N 2.688 123.961 121.223 0.083 0.000 2.362 544 L HA 0.646 4.986 4.340 -0.000 0.000 0.271 544 L C -0.514 176.425 176.870 0.115 0.000 1.002 544 L CA -0.621 54.275 54.840 0.092 0.000 0.818 544 L CB 1.299 43.401 42.059 0.071 0.000 1.298 544 L HN 0.380 nan 8.230 nan 0.000 0.420 545 I N 0.682 121.314 120.570 0.103 0.000 3.239 545 I HA 0.549 4.719 4.170 -0.000 0.000 0.314 545 I C -2.272 173.793 176.117 -0.086 0.000 1.126 545 I CA -1.693 59.643 61.300 0.060 0.000 0.973 545 I CB 2.249 40.344 38.000 0.157 0.000 1.252 545 I HN 0.396 nan 8.210 nan 0.000 0.463 546 P HA 0.261 nan 4.420 nan 0.000 0.184 546 P C -0.749 176.391 177.300 -0.267 0.000 1.074 546 P CA -0.121 62.892 63.100 -0.145 0.000 0.790 546 P CB 0.682 32.364 31.700 -0.030 0.000 0.843 547 S N -1.722 113.886 115.700 -0.153 0.000 2.754 547 S HA 0.421 4.891 4.470 -0.000 0.000 0.302 547 S C -1.407 173.052 174.600 -0.236 0.000 0.922 547 S CA -0.749 57.310 58.200 -0.236 0.000 0.822 547 S CB 0.097 62.995 63.200 -0.503 0.000 1.020 547 S HN 0.040 nan 8.310 nan 0.000 0.475 548 R N 1.666 122.074 120.500 -0.153 0.000 3.288 548 R HA 0.683 5.023 4.340 -0.000 0.000 0.245 548 R C -0.292 175.973 176.300 -0.059 0.000 1.436 548 R CA -0.759 55.291 56.100 -0.082 0.000 1.036 548 R CB 0.434 30.728 30.300 -0.009 0.000 1.500 548 R HN 0.925 nan 8.270 nan 0.000 0.493 564 H N 2.434 121.536 119.070 0.053 0.000 2.685 564 H HA 0.364 4.920 4.556 -0.000 0.000 0.307 564 H C -2.303 173.052 175.328 0.044 0.000 1.017 564 H CA -1.640 54.453 56.048 0.075 0.000 1.237 564 H CB 1.316 31.122 29.762 0.074 0.000 1.409 564 H HN 0.322 nan 8.280 nan 0.000 0.488 565 P HA 0.065 nan 4.420 nan 0.000 0.270 565 P C -0.484 176.884 177.300 0.113 0.000 1.223 565 P CA -0.442 62.730 63.100 0.119 0.000 0.785 565 P CB 0.669 32.447 31.700 0.130 0.000 0.923 566 A N 1.902 124.783 122.820 0.101 0.000 2.492 566 A HA 0.097 4.417 4.320 -0.000 0.000 0.254 566 A C -0.043 177.680 177.584 0.231 0.000 1.091 566 A CA 0.122 52.229 52.037 0.116 0.000 0.768 566 A CB -0.786 18.310 19.000 0.159 0.000 1.028 566 A HN 0.615 nan 8.150 nan 0.000 0.498 567 H N 0.777 119.866 119.070 0.032 0.000 2.505 567 H HA 0.509 5.065 4.556 -0.000 0.000 0.351 567 H C -0.554 174.667 175.328 -0.179 0.000 1.151 567 H CA -0.558 55.370 56.048 -0.200 0.000 1.339 567 H CB 1.244 30.952 29.762 -0.090 0.000 1.483 567 H HN 0.556 nan 8.280 nan 0.000 0.558 568 I N 2.990 123.410 120.570 -0.251 0.000 2.418 568 I HA 0.141 4.311 4.170 -0.000 0.000 0.287 568 I C -1.149 174.894 176.117 -0.122 0.000 1.008 568 I CA -0.619 60.560 61.300 -0.203 0.000 1.104 568 I CB 1.711 39.487 38.000 -0.373 0.000 1.264 568 I HN 0.198 nan 8.210 nan 0.000 0.438 569 L N 7.049 128.273 121.223 0.002 0.000 2.362 569 L HA 0.919 5.259 4.340 -0.000 0.000 0.275 569 L C -0.842 175.971 176.870 -0.094 0.000 0.998 569 L CA -0.098 54.761 54.840 0.031 0.000 0.820 569 L CB 1.640 43.821 42.059 0.203 0.000 1.270 569 L HN 0.688 nan 8.230 nan 0.000 0.415 570 A N 4.180 126.853 122.820 -0.246 0.000 2.486 570 A HA 0.842 5.162 4.320 -0.000 0.000 0.300 570 A C -1.933 175.195 177.584 -0.760 0.000 1.048 570 A CA -0.387 51.261 52.037 -0.648 0.000 0.696 570 A CB 1.239 19.800 19.000 -0.732 0.000 1.278 570 A HN 0.880 nan 8.150 nan 0.000 0.405 571 Y N -1.499 118.192 120.300 -1.015 0.000 2.581 571 Y HA 0.686 5.236 4.550 -0.000 0.000 0.337 571 Y C -1.230 174.415 175.900 -0.426 0.000 1.108 571 Y CA -1.502 56.258 58.100 -0.566 0.000 1.033 571 Y CB 0.717 39.108 38.460 -0.115 0.000 1.318 571 Y HN 0.588 nan 8.280 nan 0.000 0.459 572 Y N 1.587 122.025 120.300 0.230 0.000 2.359 572 Y HA 0.464 5.014 4.550 -0.000 0.000 0.330 572 Y C 0.569 176.687 175.900 0.363 0.000 1.143 572 Y CA 0.436 58.752 58.100 0.361 0.000 1.318 572 Y CB 1.460 40.187 38.460 0.444 0.000 1.234 572 Y HN 0.726 nan 8.280 nan 0.000 0.522 573 S N 4.104 120.118 115.700 0.523 0.000 2.566 573 S HA 0.346 4.816 4.470 -0.000 0.000 0.273 573 S C -0.620 174.222 174.600 0.403 0.000 1.157 573 S CA -0.827 57.639 58.200 0.443 0.000 0.938 573 S CB 0.526 64.010 63.200 0.474 0.000 1.087 573 S HN 0.719 nan 8.310 nan 0.000 0.474 574 L N 3.751 125.144 121.223 0.284 0.000 2.777 574 L HA 0.407 4.747 4.340 -0.000 0.000 0.244 574 L C 1.498 178.520 176.870 0.254 0.000 1.235 574 L CA 0.274 55.258 54.840 0.240 0.000 1.062 574 L CB -0.576 41.532 42.059 0.082 0.000 1.340 574 L HN 0.750 nan 8.230 nan 0.000 0.439 575 A N -0.825 122.156 122.820 0.270 0.000 2.066 575 A HA 0.674 4.994 4.320 -0.000 0.000 0.198 575 A C 1.118 178.807 177.584 0.174 0.000 1.405 575 A CA 0.527 52.688 52.037 0.207 0.000 0.973 575 A CB 0.377 19.513 19.000 0.226 0.000 1.026 575 A HN 0.443 nan 8.150 nan 0.000 0.474 576 G N -0.677 108.236 108.800 0.188 0.000 2.500 576 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.209 576 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.209 576 G C -0.717 174.241 174.900 0.097 0.000 1.283 576 G CA -0.308 44.860 45.100 0.113 0.000 0.960 576 G HN 0.550 nan 8.290 nan 0.000 0.528 577 Q N 0.463 120.288 119.800 0.042 0.000 2.261 577 Q HA 0.521 4.861 4.340 -0.000 0.000 0.252 577 Q C 0.696 176.702 176.000 0.011 0.000 0.915 577 Q CA -0.484 55.326 55.803 0.013 0.000 0.915 577 Q CB 0.777 29.499 28.738 -0.027 0.000 1.204 577 Q HN 0.565 nan 8.270 nan 0.000 0.421 578 R N 0.994 121.476 120.500 -0.031 0.000 2.623 578 R HA 0.027 4.367 4.340 -0.000 0.000 0.271 578 R C 0.647 176.905 176.300 -0.070 0.000 1.043 578 R CA 0.201 56.253 56.100 -0.079 0.000 1.083 578 R CB -0.025 30.049 30.300 -0.377 0.000 0.974 578 R HN 0.594 nan 8.270 nan 0.000 0.436 579 T N 0.439 114.978 114.554 -0.024 0.000 3.023 579 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 579 T C 0.644 175.322 174.700 -0.037 0.000 1.093 579 T CA 1.196 63.281 62.100 -0.026 0.000 1.129 579 T CB -0.131 68.732 68.868 -0.008 0.000 0.899 579 T HN 0.741 nan 8.240 nan 0.000 0.491 580 D N 0.325 120.705 120.400 -0.033 0.000 2.370 580 D HA 0.089 4.729 4.640 -0.000 0.000 0.230 580 D C -0.138 176.135 176.300 -0.045 0.000 1.143 580 D CA -0.542 53.462 54.000 0.008 0.000 0.834 580 D CB -1.425 39.478 40.800 0.171 0.000 0.944 580 D HN 0.206 nan 8.370 nan 0.000 0.504 581 C N 2.073 121.301 119.300 -0.121 0.000 2.634 581 C HA 0.187 4.647 4.460 -0.000 0.000 0.418 581 C C -1.445 173.508 174.990 -0.060 0.000 1.373 581 C CA -0.913 58.017 59.018 -0.148 0.000 1.756 581 C CB -0.331 27.333 27.740 -0.126 0.000 2.589 581 C HN 0.351 nan 8.230 nan 0.000 0.602 582 P HA 0.098 nan 4.420 nan 0.000 0.273 582 P C 0.931 178.236 177.300 0.009 0.000 1.258 582 P CA 0.146 63.253 63.100 0.013 0.000 0.802 582 P CB 0.312 32.037 31.700 0.042 0.000 1.040 583 T N -1.301 113.265 114.554 0.021 0.000 2.896 583 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 583 T C 1.511 176.226 174.700 0.025 0.000 1.050 583 T CA 1.845 63.955 62.100 0.017 0.000 1.140 583 T CB -0.967 67.911 68.868 0.017 0.000 0.877 583 T HN 0.656 nan 8.240 nan 0.000 0.457 584 T N 0.257 114.834 114.554 0.038 0.000 3.228 584 T HA 0.114 4.464 4.350 -0.000 0.000 0.261 584 T C 0.354 175.091 174.700 0.062 0.000 1.171 584 T CA 0.033 62.162 62.100 0.048 0.000 1.056 584 T CB -0.535 68.368 68.868 0.058 0.000 0.938 584 T HN 0.067 nan 8.240 nan 0.000 0.539 585 V N 0.807 120.753 119.914 0.054 0.000 2.638 585 V HA 0.546 4.666 4.120 -0.000 0.000 0.306 585 V C -0.247 175.868 176.094 0.034 0.000 1.052 585 V CA -1.189 61.152 62.300 0.068 0.000 0.885 585 V CB 2.064 33.936 31.823 0.082 0.000 0.999 585 V HN 0.259 nan 8.190 nan 0.000 0.424 586 R N 2.565 123.091 120.500 0.043 0.000 2.494 586 R HA 0.740 5.079 4.340 -0.000 0.000 0.305 586 R C -1.415 174.892 176.300 0.013 0.000 0.959 586 R CA -0.507 55.607 56.100 0.022 0.000 0.864 586 R CB 2.060 32.376 30.300 0.026 0.000 1.159 586 R HN 0.576 nan 8.270 nan 0.000 0.446 587 V N 5.880 125.790 119.914 -0.008 0.000 2.350 587 V HA 0.294 4.414 4.120 -0.000 0.000 0.276 587 V C 0.360 176.440 176.094 -0.023 0.000 1.028 587 V CA -0.771 61.514 62.300 -0.025 0.000 0.860 587 V CB 1.231 33.029 31.823 -0.042 0.000 0.990 587 V HN 0.647 nan 8.190 nan 0.000 0.453 588 L N 5.543 126.750 121.223 -0.026 0.000 2.367 588 L HA 0.375 4.715 4.340 -0.000 0.000 0.275 588 L C 0.597 177.455 176.870 -0.020 0.000 1.129 588 L CA 0.187 55.018 54.840 -0.015 0.000 0.839 588 L CB 0.608 42.664 42.059 -0.006 0.000 1.133 588 L HN 0.641 nan 8.230 nan 0.000 0.453 589 K N 4.380 124.773 120.400 -0.010 0.000 2.920 589 K HA 0.233 4.553 4.320 -0.000 0.000 0.175 589 K C -0.865 175.733 176.600 -0.003 0.000 1.099 589 K CA -0.529 55.752 56.287 -0.010 0.000 0.939 589 K CB 0.898 33.389 32.500 -0.014 0.000 1.148 589 K HN 0.517 nan 8.250 nan 0.000 0.613 590 E N -0.276 119.926 120.200 0.004 0.000 7.835 590 E HA -0.175 4.175 4.350 -0.000 0.000 0.160 590 E C -2.628 173.976 176.600 0.006 0.000 1.465 590 E CA 0.266 56.670 56.400 0.006 0.000 2.539 590 E CB -1.352 28.350 29.700 0.003 0.000 1.573 590 E HN 0.270 nan 8.360 nan 0.000 0.447 591 P HA -0.065 nan 4.420 nan 0.000 0.252 591 P C 0.289 177.592 177.300 0.004 0.000 1.147 591 P CA 0.518 63.622 63.100 0.005 0.000 0.779 591 P CB -0.041 31.662 31.700 0.004 0.000 0.733 592 I N 0.000 120.573 120.570 0.005 0.000 2.984 592 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 592 I CA 0.000 61.302 61.300 0.003 0.000 1.566 592 I CB 0.000 38.003 38.000 0.005 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494