REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ogk_1_H DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRXXX XXXXXXXXXX DATA SEQUENCE XXXPAHILAY YSLAGQRTDC PTTVRVLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.606 174.600 0.009 0.000 1.055 12 S CA 0.000 58.205 58.200 0.009 0.000 1.107 12 S CB 0.000 63.205 63.200 0.009 0.000 0.593 13 C N 1.649 120.956 119.300 0.011 0.000 2.595 13 C HA 0.907 5.367 4.460 0.001 0.000 0.338 13 C C 1.340 176.337 174.990 0.013 0.000 1.219 13 C CA -0.021 59.005 59.018 0.012 0.000 1.811 13 C CB 1.235 28.983 27.740 0.013 0.000 2.313 13 C HN 1.020 nan 8.230 nan 0.000 0.499 14 V N 0.698 120.620 119.914 0.014 0.000 3.815 14 V HA 0.746 4.867 4.120 0.001 0.000 0.269 14 V C 0.441 176.546 176.094 0.018 0.000 0.928 14 V CA -0.350 61.959 62.300 0.014 0.000 0.912 14 V CB -0.337 31.494 31.823 0.014 0.000 1.227 14 V HN 1.109 nan 8.190 nan 0.000 0.404 15 A N 0.430 123.261 122.820 0.019 0.000 2.324 15 A HA 0.783 5.103 4.320 0.001 0.000 0.330 15 A C 0.148 177.751 177.584 0.031 0.000 1.165 15 A CA 0.083 52.134 52.037 0.023 0.000 0.813 15 A CB 0.737 19.748 19.000 0.019 0.000 1.197 15 A HN 1.318 nan 8.150 nan 0.000 0.484 16 T N -1.182 113.397 114.554 0.041 0.000 2.940 16 T HA 0.482 4.832 4.350 0.001 0.000 0.288 16 T C 1.141 175.885 174.700 0.074 0.000 1.045 16 T CA -0.050 62.084 62.100 0.057 0.000 1.018 16 T CB 0.761 69.668 68.868 0.064 0.000 1.151 16 T HN 0.919 nan 8.240 nan 0.000 0.529 17 V N -0.493 119.486 119.914 0.108 0.000 2.453 17 V HA -0.175 3.945 4.120 0.001 0.000 0.252 17 V C 2.224 178.400 176.094 0.137 0.000 1.068 17 V CA 2.251 64.636 62.300 0.142 0.000 1.070 17 V CB -1.388 30.601 31.823 0.277 0.000 0.664 17 V HN 1.034 nan 8.190 nan 0.000 0.461 18 D N 0.656 121.150 120.400 0.157 0.000 2.218 18 D HA -0.187 4.454 4.640 0.001 0.000 0.204 18 D C 1.615 177.959 176.300 0.073 0.000 0.976 18 D CA 1.221 55.309 54.000 0.146 0.000 0.853 18 D CB -0.218 40.669 40.800 0.145 0.000 0.939 18 D HN 0.494 nan 8.370 nan 0.000 0.481 19 D N -0.642 119.790 120.400 0.053 0.000 2.363 19 D HA -0.024 4.616 4.640 0.001 0.000 0.226 19 D C 1.116 177.424 176.300 0.013 0.000 1.020 19 D CA 0.222 54.240 54.000 0.030 0.000 0.892 19 D CB 1.243 42.059 40.800 0.027 0.000 0.900 19 D HN 0.184 nan 8.370 nan 0.000 0.531 20 V N -0.029 119.887 119.914 0.003 0.000 3.309 20 V HA -0.000 4.120 4.120 0.001 0.000 0.268 20 V C 1.390 177.450 176.094 -0.056 0.000 1.631 20 V CA -0.094 62.196 62.300 -0.017 0.000 1.018 20 V CB 0.826 32.644 31.823 -0.008 0.000 0.841 20 V HN -0.072 nan 8.190 nan 0.000 0.418 21 I N 1.498 122.012 120.570 -0.093 0.000 2.394 21 I HA -0.139 4.031 4.170 0.001 0.000 0.251 21 I C 2.117 178.098 176.117 -0.228 0.000 1.136 21 I CA 1.996 63.148 61.300 -0.247 0.000 1.425 21 I CB -0.191 37.533 38.000 -0.460 0.000 1.079 21 I HN 0.453 nan 8.210 nan 0.000 0.425 22 E N -0.521 119.598 120.200 -0.134 0.000 2.333 22 E HA -0.278 4.072 4.350 0.001 0.000 0.198 22 E C 1.898 178.462 176.600 -0.059 0.000 1.007 22 E CA 0.983 57.324 56.400 -0.097 0.000 0.845 22 E CB -0.183 29.485 29.700 -0.052 0.000 0.766 22 E HN 0.650 nan 8.360 nan 0.000 0.507 23 Q N 0.279 120.060 119.800 -0.033 0.000 2.324 23 Q HA -0.009 4.331 4.340 0.001 0.000 0.207 23 Q C 2.121 178.190 176.000 0.114 0.000 0.928 23 Q CA 0.170 55.995 55.803 0.037 0.000 0.890 23 Q CB 0.575 29.340 28.738 0.046 0.000 1.001 23 Q HN 0.065 nan 8.270 nan 0.000 0.517 24 V N 0.875 120.805 119.914 0.027 0.000 2.358 24 V HA -0.256 3.865 4.120 0.001 0.000 0.246 24 V C 2.273 178.416 176.094 0.080 0.000 1.047 24 V CA 1.706 64.037 62.300 0.052 0.000 1.035 24 V CB -0.427 31.349 31.823 -0.078 0.000 0.658 24 V HN 0.467 nan 8.190 nan 0.000 0.452 25 M N 1.451 121.013 119.600 -0.065 0.000 2.144 25 M HA -0.188 4.292 4.480 0.001 0.000 0.260 25 M C 2.207 178.492 176.300 -0.024 0.000 1.067 25 M CA 2.515 57.758 55.300 -0.095 0.000 1.095 25 M CB -0.861 31.640 32.600 -0.165 0.000 1.365 25 M HN 0.552 nan 8.290 nan 0.000 0.406 26 T N -2.511 112.031 114.554 -0.020 0.000 3.155 26 T HA -0.126 4.225 4.350 0.001 0.000 0.264 26 T C 1.033 175.612 174.700 -0.202 0.000 1.160 26 T CA 0.969 63.000 62.100 -0.115 0.000 1.075 26 T CB -0.739 68.028 68.868 -0.168 0.000 0.921 26 T HN 0.535 nan 8.240 nan 0.000 0.533 27 Y N 0.497 120.768 120.300 -0.049 0.000 2.458 27 Y HA 0.502 5.052 4.550 0.001 0.000 0.256 27 Y C 0.725 176.608 175.900 -0.028 0.000 1.159 27 Y CA -1.048 57.031 58.100 -0.035 0.000 1.261 27 Y CB 0.340 38.781 38.460 -0.032 0.000 1.119 27 Y HN 0.271 nan 8.280 nan 0.000 0.524 28 I N 0.003 120.623 120.570 0.082 0.000 2.321 28 I HA 0.143 4.314 4.170 0.001 0.000 0.291 28 I C 1.037 177.164 176.117 0.016 0.000 0.998 28 I CA 0.003 61.335 61.300 0.054 0.000 1.227 28 I CB 1.711 39.738 38.000 0.045 0.000 1.368 28 I HN -0.054 nan 8.210 nan 0.000 0.466 29 T N 2.157 116.720 114.554 0.015 0.000 3.026 29 T HA 0.006 4.357 4.350 0.001 0.000 0.245 29 T C 0.697 175.396 174.700 -0.002 0.000 1.004 29 T CA 0.049 62.144 62.100 -0.008 0.000 1.069 29 T CB 0.113 68.971 68.868 -0.016 0.000 1.005 29 T HN 0.575 nan 8.240 nan 0.000 0.472 30 D N 2.599 123.007 120.400 0.014 0.000 2.451 30 D HA 0.072 4.712 4.640 0.001 0.000 0.254 30 D C -1.608 174.707 176.300 0.025 0.000 1.204 30 D CA -1.573 52.438 54.000 0.018 0.000 0.896 30 D CB 1.657 42.474 40.800 0.029 0.000 1.136 30 D HN 0.162 nan 8.370 nan 0.000 0.499 31 P HA -0.171 nan 4.420 nan 0.000 0.217 31 P C 1.228 178.559 177.300 0.051 0.000 1.148 31 P CA 0.975 64.093 63.100 0.030 0.000 0.828 31 P CB 0.332 32.050 31.700 0.030 0.000 0.783 32 K N -0.293 120.138 120.400 0.052 0.000 2.097 32 K HA -0.108 4.213 4.320 0.001 0.000 0.205 32 K C 1.482 178.126 176.600 0.073 0.000 1.050 32 K CA 1.344 57.669 56.287 0.062 0.000 0.938 32 K CB -0.979 31.555 32.500 0.056 0.000 0.718 32 K HN 0.135 nan 8.250 nan 0.000 0.442 33 D N -0.167 120.274 120.400 0.069 0.000 2.234 33 D HA -0.056 4.585 4.640 0.001 0.000 0.205 33 D C 1.929 178.291 176.300 0.103 0.000 0.962 33 D CA 0.418 54.468 54.000 0.084 0.000 0.855 33 D CB 0.236 41.082 40.800 0.075 0.000 0.951 33 D HN 0.013 nan 8.370 nan 0.000 0.500 34 R N 1.015 121.567 120.500 0.087 0.000 2.062 34 R HA -0.074 4.266 4.340 0.001 0.000 0.231 34 R C 1.809 178.194 176.300 0.141 0.000 1.136 34 R CA 0.613 56.773 56.100 0.100 0.000 0.948 34 R CB -1.070 29.265 30.300 0.059 0.000 0.845 34 R HN 0.283 nan 8.270 nan 0.000 0.430 35 D N 1.047 121.524 120.400 0.129 0.000 2.230 35 D HA -0.188 4.453 4.640 0.001 0.000 0.189 35 D C 1.647 178.036 176.300 0.150 0.000 1.006 35 D CA 2.773 56.859 54.000 0.144 0.000 0.853 35 D CB 0.148 41.016 40.800 0.114 0.000 0.959 35 D HN 0.259 nan 8.370 nan 0.000 0.449 36 S N 0.732 116.510 115.700 0.130 0.000 2.368 36 S HA -0.075 4.395 4.470 0.001 0.000 0.225 36 S C 2.311 177.019 174.600 0.180 0.000 1.030 36 S CA 1.468 59.745 58.200 0.128 0.000 0.999 36 S CB -0.513 62.746 63.200 0.098 0.000 0.844 36 S HN 0.426 nan 8.310 nan 0.000 0.459 37 A N 2.438 125.402 122.820 0.240 0.000 1.940 37 A HA -0.085 4.235 4.320 0.001 0.000 0.219 37 A C 2.462 180.300 177.584 0.423 0.000 1.176 37 A CA 2.082 54.366 52.037 0.412 0.000 0.631 37 A CB -1.268 17.953 19.000 0.369 0.000 0.814 37 A HN 0.781 nan 8.150 nan 0.000 0.446 38 S N -0.975 114.915 115.700 0.315 0.000 2.507 38 S HA 0.068 4.539 4.470 0.001 0.000 0.235 38 S C 1.172 175.983 174.600 0.352 0.000 0.988 38 S CA 1.181 59.599 58.200 0.363 0.000 0.944 38 S CB -0.349 63.058 63.200 0.345 0.000 0.762 38 S HN 0.418 nan 8.310 nan 0.000 0.526 39 L N 1.296 122.649 121.223 0.217 0.000 2.959 39 L HA 0.358 4.698 4.340 0.001 0.000 0.259 39 L C 1.860 178.744 176.870 0.024 0.000 1.185 39 L CA 0.105 55.011 54.840 0.111 0.000 0.998 39 L CB 0.935 43.040 42.059 0.076 0.000 1.337 39 L HN 0.344 nan 8.230 nan 0.000 0.555 40 V N -1.413 118.496 119.914 -0.007 0.000 2.446 40 V HA 0.024 4.144 4.120 0.001 0.000 0.244 40 V C 0.755 176.711 176.094 -0.231 0.000 1.039 40 V CA 1.130 63.297 62.300 -0.222 0.000 1.045 40 V CB 0.421 31.897 31.823 -0.578 0.000 0.681 40 V HN 0.547 nan 8.190 nan 0.000 0.459 41 C N -1.870 117.352 119.300 -0.131 0.000 3.249 41 C HA 0.512 4.973 4.460 0.001 0.000 0.350 41 C C 1.369 176.429 174.990 0.117 0.000 1.431 41 C CA -0.447 58.543 59.018 -0.047 0.000 1.209 41 C CB 1.020 28.688 27.740 -0.121 0.000 1.546 41 C HN 0.451 nan 8.230 nan 0.000 0.450 42 R N 0.334 120.893 120.500 0.099 0.000 2.073 42 R HA -0.058 4.283 4.340 0.001 0.000 0.234 42 R C 2.363 178.821 176.300 0.264 0.000 1.134 42 R CA 1.542 57.737 56.100 0.159 0.000 0.952 42 R CB -0.370 29.982 30.300 0.086 0.000 0.850 42 R HN 0.661 nan 8.270 nan 0.000 0.433 43 R N 0.145 120.789 120.500 0.241 0.000 2.113 43 R HA -0.206 4.135 4.340 0.001 0.000 0.244 43 R C 1.999 178.538 176.300 0.398 0.000 1.142 43 R CA 1.940 58.218 56.100 0.296 0.000 0.953 43 R CB -0.272 30.219 30.300 0.319 0.000 0.860 43 R HN 0.312 nan 8.270 nan 0.000 0.438 44 W N -0.295 121.071 121.300 0.109 0.000 2.388 44 W HA -0.124 4.537 4.660 0.001 0.000 0.294 44 W C 2.009 178.601 176.519 0.122 0.000 1.212 44 W CA 0.218 57.623 57.345 0.101 0.000 1.271 44 W CB -1.088 28.430 29.460 0.095 0.000 1.126 44 W HN 0.051 nan 8.180 nan 0.000 0.535 45 F N 2.078 122.184 119.950 0.261 0.000 2.043 45 F HA -0.319 4.209 4.527 0.001 0.000 0.297 45 F C 2.504 178.369 175.800 0.108 0.000 1.121 45 F CA 2.489 60.580 58.000 0.152 0.000 1.199 45 F CB -0.776 38.282 39.000 0.097 0.000 0.968 45 F HN -0.261 nan 8.300 nan 0.000 0.478 46 K N 0.885 121.338 120.400 0.088 0.000 2.020 46 K HA -0.185 4.135 4.320 0.001 0.000 0.212 46 K C 2.063 178.615 176.600 -0.081 0.000 1.050 46 K CA 2.195 58.468 56.287 -0.023 0.000 0.929 46 K CB -0.954 31.610 32.500 0.107 0.000 0.714 46 K HN 0.502 nan 8.250 nan 0.000 0.443 47 I N 0.605 121.163 120.570 -0.020 0.000 2.226 47 I HA -0.293 3.877 4.170 0.001 0.000 0.245 47 I C 2.071 178.147 176.117 -0.069 0.000 1.100 47 I CA 1.832 63.100 61.300 -0.053 0.000 1.374 47 I CB -0.417 37.525 38.000 -0.097 0.000 1.057 47 I HN 0.372 nan 8.210 nan 0.000 0.413 48 D N 0.072 120.434 120.400 -0.063 0.000 2.123 48 D HA -0.250 4.391 4.640 0.001 0.000 0.196 48 D C 2.242 178.538 176.300 -0.007 0.000 0.992 48 D CA 1.818 55.802 54.000 -0.026 0.000 0.833 48 D CB -0.080 40.734 40.800 0.022 0.000 0.954 48 D HN 0.198 nan 8.370 nan 0.000 0.455 49 S N -0.456 115.148 115.700 -0.159 0.000 2.359 49 S HA -0.227 4.244 4.470 0.001 0.000 0.224 49 S C 1.740 176.361 174.600 0.036 0.000 1.035 49 S CA 1.607 59.727 58.200 -0.132 0.000 1.018 49 S CB -0.488 62.444 63.200 -0.447 0.000 0.876 49 S HN 0.440 nan 8.310 nan 0.000 0.448 50 E N -0.099 120.088 120.200 -0.022 0.000 2.481 50 E HA 0.019 4.369 4.350 0.001 0.000 0.195 50 E C 1.610 178.213 176.600 0.005 0.000 1.047 50 E CA 1.043 57.444 56.400 0.002 0.000 0.867 50 E CB 0.086 29.777 29.700 -0.015 0.000 0.858 50 E HN 0.835 nan 8.360 nan 0.000 0.513 51 T N -2.015 112.537 114.554 -0.003 0.000 3.010 51 T HA 0.160 4.510 4.350 0.001 0.000 0.257 51 T C 0.834 175.513 174.700 -0.035 0.000 1.020 51 T CA -0.529 61.556 62.100 -0.026 0.000 0.938 51 T CB 0.221 69.060 68.868 -0.047 0.000 1.049 51 T HN -0.179 nan 8.240 nan 0.000 0.522 52 R N 1.859 122.348 120.500 -0.018 0.000 2.489 52 R HA 0.245 4.586 4.340 0.001 0.000 0.287 52 R C 0.922 177.141 176.300 -0.134 0.000 1.053 52 R CA 0.435 56.466 56.100 -0.114 0.000 1.036 52 R CB 0.241 30.374 30.300 -0.278 0.000 0.966 52 R HN 0.374 nan 8.270 nan 0.000 0.432 53 E N 1.176 121.298 120.200 -0.130 0.000 2.332 53 E HA 0.010 4.361 4.350 0.001 0.000 0.202 53 E C -0.220 176.343 176.600 -0.062 0.000 0.877 53 E CA 0.084 56.436 56.400 -0.080 0.000 0.979 53 E CB 0.272 29.942 29.700 -0.050 0.000 0.969 53 E HN 0.512 nan 8.360 nan 0.000 0.495 54 H N 0.377 119.338 119.070 -0.182 0.000 2.572 54 H HA 0.468 5.024 4.556 0.001 0.000 0.359 54 H C -1.515 173.674 175.328 -0.231 0.000 1.134 54 H CA -0.500 55.446 56.048 -0.169 0.000 1.187 54 H CB 1.633 31.323 29.762 -0.120 0.000 1.597 54 H HN -0.180 nan 8.280 nan 0.000 0.524 55 V N 4.155 123.504 119.914 -0.941 0.000 2.638 55 V HA 0.230 4.350 4.120 0.001 0.000 0.306 55 V C -0.249 175.480 176.094 -0.607 0.000 1.052 55 V CA -0.636 61.308 62.300 -0.593 0.000 0.885 55 V CB 2.140 33.720 31.823 -0.405 0.000 0.999 55 V HN 0.871 nan 8.190 nan 0.000 0.424 56 T N 6.251 120.672 114.554 -0.222 0.000 2.771 56 T HA 0.554 4.905 4.350 0.001 0.000 0.281 56 T C -0.233 174.403 174.700 -0.106 0.000 0.982 56 T CA -0.287 61.742 62.100 -0.120 0.000 0.978 56 T CB 1.004 69.889 68.868 0.028 0.000 0.930 56 T HN 0.465 nan 8.240 nan 0.000 0.447 57 M N 2.715 122.223 119.600 -0.154 0.000 2.088 57 M HA 0.406 4.887 4.480 0.001 0.000 0.346 57 M C 0.972 177.200 176.300 -0.120 0.000 1.111 57 M CA -0.693 54.532 55.300 -0.125 0.000 1.017 57 M CB 1.385 33.855 32.600 -0.216 0.000 1.568 57 M HN 0.795 nan 8.290 nan 0.000 0.445 58 A N 4.787 127.570 122.820 -0.061 0.000 2.238 58 A HA 0.312 4.632 4.320 0.001 0.000 0.208 58 A C 0.426 177.962 177.584 -0.080 0.000 1.177 58 A CA 0.473 52.460 52.037 -0.084 0.000 0.804 58 A CB 0.273 19.233 19.000 -0.067 0.000 0.823 58 A HN 0.738 nan 8.150 nan 0.000 0.482 59 L N -0.164 121.038 121.223 -0.036 0.000 2.710 59 L HA 0.140 4.481 4.340 0.001 0.000 0.262 59 L C 0.941 177.798 176.870 -0.023 0.000 0.940 59 L CA -0.798 54.042 54.840 0.000 0.000 0.944 59 L CB 1.208 43.311 42.059 0.074 0.000 1.348 59 L HN 0.411 nan 8.230 nan 0.000 0.425 60 C N 1.813 121.040 119.300 -0.121 0.000 2.403 60 C HA -0.179 4.282 4.460 0.001 0.000 0.279 60 C C 1.775 176.786 174.990 0.034 0.000 1.269 60 C CA 0.620 59.535 59.018 -0.171 0.000 1.774 60 C CB -1.468 26.079 27.740 -0.321 0.000 1.993 60 C HN 0.782 nan 8.230 nan 0.000 0.496 61 Y N 0.693 121.090 120.300 0.161 0.000 2.471 61 Y HA 0.071 4.622 4.550 0.001 0.000 0.286 61 Y C 2.648 178.705 175.900 0.262 0.000 1.188 61 Y CA 0.556 58.766 58.100 0.184 0.000 1.286 61 Y CB -0.280 38.227 38.460 0.077 0.000 1.072 61 Y HN 0.280 nan 8.280 nan 0.000 0.517 62 T N 0.210 114.972 114.554 0.346 0.000 3.035 62 T HA 0.282 4.632 4.350 0.001 0.000 0.268 62 T C 0.317 175.217 174.700 0.333 0.000 1.109 62 T CA 0.831 63.145 62.100 0.356 0.000 1.119 62 T CB -0.210 68.816 68.868 0.263 0.000 0.900 62 T HN 0.326 nan 8.240 nan 0.000 0.503 63 A N 0.237 123.262 122.820 0.342 0.000 2.586 63 A HA 0.512 4.833 4.320 0.001 0.000 0.296 63 A C -0.054 177.724 177.584 0.324 0.000 1.040 63 A CA -0.758 51.461 52.037 0.303 0.000 0.701 63 A CB 0.222 19.385 19.000 0.272 0.000 1.277 63 A HN 0.205 nan 8.150 nan 0.000 0.413 64 T N 0.390 115.051 114.554 0.177 0.000 2.898 64 T HA 0.496 4.847 4.350 0.001 0.000 0.301 64 T C -1.635 172.986 174.700 -0.132 0.000 1.049 64 T CA -0.912 61.182 62.100 -0.010 0.000 1.095 64 T CB 0.711 69.560 68.868 -0.032 0.000 0.976 64 T HN 0.233 nan 8.240 nan 0.000 0.539 65 P HA -0.148 nan 4.420 nan 0.000 0.216 65 P C 1.182 178.420 177.300 -0.104 0.000 1.154 65 P CA 1.435 64.142 63.100 -0.654 0.000 0.865 65 P CB -0.066 31.136 31.700 -0.830 0.000 0.789 66 D N -0.893 119.437 120.400 -0.116 0.000 2.103 66 D HA -0.224 4.417 4.640 0.001 0.000 0.190 66 D C 2.145 178.463 176.300 0.030 0.000 0.997 66 D CA 1.342 55.326 54.000 -0.027 0.000 0.833 66 D CB -0.406 40.375 40.800 -0.033 0.000 0.961 66 D HN -0.106 nan 8.370 nan 0.000 0.447 67 R N -0.584 119.946 120.500 0.051 0.000 2.133 67 R HA -0.191 4.149 4.340 0.001 0.000 0.247 67 R C 2.422 178.775 176.300 0.088 0.000 1.151 67 R CA 1.528 57.673 56.100 0.074 0.000 0.971 67 R CB -0.446 29.916 30.300 0.103 0.000 0.866 67 R HN 0.365 nan 8.270 nan 0.000 0.447 68 L N 0.343 121.668 121.223 0.170 0.000 2.023 68 L HA -0.101 4.239 4.340 0.001 0.000 0.205 68 L C 2.161 179.133 176.870 0.170 0.000 1.073 68 L CA 2.302 57.278 54.840 0.226 0.000 0.745 68 L CB -0.448 41.846 42.059 0.392 0.000 0.900 68 L HN 0.226 nan 8.230 nan 0.000 0.435 69 S N -0.662 115.129 115.700 0.152 0.000 2.469 69 S HA -0.227 4.243 4.470 0.001 0.000 0.238 69 S C 2.081 176.712 174.600 0.051 0.000 0.998 69 S CA 1.112 59.376 58.200 0.107 0.000 0.957 69 S CB -0.736 62.516 63.200 0.087 0.000 0.764 69 S HN 0.622 nan 8.310 nan 0.000 0.514 70 R N 1.547 122.061 120.500 0.024 0.000 2.062 70 R HA 0.103 4.444 4.340 0.001 0.000 0.226 70 R C 2.535 178.792 176.300 -0.072 0.000 1.125 70 R CA 1.126 57.223 56.100 -0.005 0.000 0.966 70 R CB -0.209 30.096 30.300 0.008 0.000 0.861 70 R HN 0.401 nan 8.270 nan 0.000 0.433 71 R N -0.561 119.832 120.500 -0.179 0.000 2.153 71 R HA 0.011 4.351 4.340 0.001 0.000 0.218 71 R C -0.080 175.794 176.300 -0.711 0.000 1.072 71 R CA 1.266 57.062 56.100 -0.507 0.000 0.990 71 R CB 0.154 30.013 30.300 -0.734 0.000 0.889 71 R HN 0.238 nan 8.270 nan 0.000 0.452 72 F N -0.130 119.821 119.950 0.001 0.000 2.542 72 F HA 0.394 4.921 4.527 0.001 0.000 0.323 72 F C -1.831 173.961 175.800 -0.013 0.000 1.411 72 F CA -2.404 55.582 58.000 -0.024 0.000 1.124 72 F CB 1.804 40.791 39.000 -0.021 0.000 1.331 72 F HN -0.041 nan 8.300 nan 0.000 0.560 73 P HA -0.183 nan 4.420 nan 0.000 0.217 73 P C 0.043 177.385 177.300 0.070 0.000 1.151 73 P CA 1.709 64.852 63.100 0.071 0.000 0.849 73 P CB 0.098 31.820 31.700 0.036 0.000 0.787 74 N N -1.388 117.356 118.700 0.073 0.000 2.321 74 N HA 0.151 4.892 4.740 0.001 0.000 0.242 74 N C -0.158 175.367 175.510 0.025 0.000 1.141 74 N CA -0.366 52.707 53.050 0.039 0.000 0.864 74 N CB -0.022 38.477 38.487 0.021 0.000 1.100 74 N HN 0.066 nan 8.380 nan 0.000 0.510 75 L N 0.880 122.126 121.223 0.038 0.000 2.593 75 L HA -0.080 4.261 4.340 0.001 0.000 0.287 75 L C 1.380 178.237 176.870 -0.021 0.000 1.243 75 L CA 0.735 55.568 54.840 -0.011 0.000 0.890 75 L CB 0.675 42.733 42.059 -0.001 0.000 1.134 75 L HN 0.256 nan 8.230 nan 0.000 0.502 76 R N 0.584 121.062 120.500 -0.038 0.000 2.195 76 R HA 0.109 4.449 4.340 0.001 0.000 0.197 76 R C -0.244 176.044 176.300 -0.021 0.000 0.990 76 R CA 0.304 56.390 56.100 -0.023 0.000 1.048 76 R CB 0.519 30.807 30.300 -0.019 0.000 0.997 76 R HN 0.736 nan 8.270 nan 0.000 0.502 77 S N -0.090 115.593 115.700 -0.027 0.000 2.541 77 S HA 0.572 5.042 4.470 0.001 0.000 0.280 77 S C -1.521 172.969 174.600 -0.183 0.000 1.112 77 S CA -0.952 57.238 58.200 -0.016 0.000 0.925 77 S CB 2.402 65.698 63.200 0.159 0.000 1.067 77 S HN 0.004 nan 8.310 nan 0.000 0.479 78 L N 1.516 122.636 121.223 -0.172 0.000 2.385 78 L HA 0.656 4.996 4.340 0.001 0.000 0.273 78 L C -0.831 175.919 176.870 -0.200 0.000 0.990 78 L CA -0.425 54.264 54.840 -0.252 0.000 0.821 78 L CB 1.640 43.609 42.059 -0.149 0.000 1.279 78 L HN 0.845 nan 8.230 nan 0.000 0.412 79 K N 5.655 125.917 120.400 -0.230 0.000 2.358 79 K HA 0.547 4.867 4.320 0.001 0.000 0.260 79 K C -1.746 174.715 176.600 -0.231 0.000 0.956 79 K CA -0.560 55.623 56.287 -0.174 0.000 0.834 79 K CB 1.070 33.516 32.500 -0.090 0.000 1.102 79 K HN 0.696 nan 8.250 nan 0.000 0.431 80 L N 4.470 125.575 121.223 -0.197 0.000 2.333 80 L HA 0.449 4.790 4.340 0.001 0.000 0.280 80 L C -0.505 176.257 176.870 -0.179 0.000 1.004 80 L CA -0.775 53.930 54.840 -0.224 0.000 0.820 80 L CB 1.798 43.743 42.059 -0.190 0.000 1.247 80 L HN 0.492 nan 8.230 nan 0.000 0.416 81 K N 1.502 121.785 120.400 -0.194 0.000 2.164 81 K HA 0.572 4.892 4.320 0.001 0.000 0.258 81 K C 0.297 176.831 176.600 -0.110 0.000 0.951 81 K CA -0.429 55.769 56.287 -0.149 0.000 0.844 81 K CB 2.432 34.834 32.500 -0.163 0.000 1.099 81 K HN 0.699 nan 8.250 nan 0.000 0.435 82 G N 2.023 110.788 108.800 -0.057 0.000 2.583 82 G HA2 0.094 4.055 3.960 0.001 0.000 0.214 82 G HA3 0.094 4.055 3.960 0.001 0.000 0.214 82 G C -0.449 174.534 174.900 0.138 0.000 2.072 82 G CA -0.267 44.853 45.100 0.033 0.000 0.745 82 G HN 0.383 nan 8.290 nan 0.000 0.762 83 K N 1.448 121.882 120.400 0.055 0.000 2.380 83 K HA 0.223 4.544 4.320 0.001 0.000 0.267 83 K C -2.477 173.931 176.600 -0.320 0.000 0.990 83 K CA -1.122 54.993 56.287 -0.287 0.000 0.946 83 K CB 0.543 32.912 32.500 -0.218 0.000 0.937 83 K HN 0.059 nan 8.250 nan 0.000 0.491 84 P HA 0.066 nan 4.420 nan 0.000 0.268 84 P C 0.296 177.406 177.300 -0.318 0.000 1.205 84 P CA -0.003 62.920 63.100 -0.293 0.000 0.771 84 P CB 0.508 31.992 31.700 -0.360 0.000 0.858 85 R N 2.822 123.180 120.500 -0.236 0.000 2.198 85 R HA -0.280 4.060 4.340 0.001 0.000 0.258 85 R C 1.899 178.145 176.300 -0.090 0.000 1.173 85 R CA 2.045 58.063 56.100 -0.137 0.000 0.991 85 R CB -0.951 29.314 30.300 -0.058 0.000 0.879 85 R HN 0.545 nan 8.270 nan 0.000 0.460 86 A N 0.776 123.358 122.820 -0.396 0.000 2.024 86 A HA -0.136 4.185 4.320 0.001 0.000 0.220 86 A C 2.295 179.842 177.584 -0.061 0.000 1.164 86 A CA 1.673 53.478 52.037 -0.387 0.000 0.643 86 A CB -0.464 17.751 19.000 -1.308 0.000 0.806 86 A HN 0.447 nan 8.150 nan 0.000 0.451 87 A N 0.386 123.112 122.820 -0.156 0.000 1.969 87 A HA -0.012 4.308 4.320 0.001 0.000 0.218 87 A C 1.927 179.473 177.584 -0.063 0.000 1.169 87 A CA 1.259 53.241 52.037 -0.092 0.000 0.635 87 A CB -0.681 18.219 19.000 -0.166 0.000 0.810 87 A HN 0.715 nan 8.150 nan 0.000 0.445 88 M N -2.657 116.870 119.600 -0.123 0.000 2.726 88 M HA 0.335 4.815 4.480 0.001 0.000 0.211 88 M C -0.390 175.506 176.300 -0.673 0.000 1.190 88 M CA 0.785 55.880 55.300 -0.343 0.000 1.000 88 M CB -0.597 31.767 32.600 -0.393 0.000 1.790 88 M HN 0.205 nan 8.290 nan 0.000 0.467 89 F N 0.162 120.088 119.950 -0.041 0.000 2.944 89 F HA 0.330 4.857 4.527 0.001 0.000 0.332 89 F C 0.840 176.647 175.800 0.011 0.000 1.215 89 F CA -0.620 57.371 58.000 -0.014 0.000 1.079 89 F CB -0.177 38.817 39.000 -0.010 0.000 1.272 89 F HN 0.418 nan 8.300 nan 0.000 0.509 90 N N 0.016 118.780 118.700 0.107 0.000 2.961 90 N HA -0.231 4.510 4.740 0.001 0.000 0.223 90 N C 1.185 176.778 175.510 0.138 0.000 0.866 90 N CA 1.206 54.313 53.050 0.095 0.000 1.030 90 N CB -1.010 37.530 38.487 0.089 0.000 1.037 90 N HN 0.287 nan 8.380 nan 0.000 0.608 91 L N 0.588 121.932 121.223 0.200 0.000 2.131 91 L HA 0.009 4.349 4.340 0.001 0.000 0.210 91 L C 1.219 178.267 176.870 0.297 0.000 1.092 91 L CA 1.014 56.032 54.840 0.298 0.000 0.759 91 L CB -0.182 42.115 42.059 0.396 0.000 0.903 91 L HN 0.174 nan 8.230 nan 0.000 0.435 92 I N 0.428 121.084 120.570 0.145 0.000 2.440 92 I HA 0.264 4.434 4.170 0.001 0.000 0.294 92 I C -1.808 174.339 176.117 0.051 0.000 0.995 92 I CA -2.404 58.925 61.300 0.049 0.000 1.306 92 I CB 0.872 38.801 38.000 -0.118 0.000 1.407 92 I HN -0.185 nan 8.210 nan 0.000 0.501 93 P HA 0.005 nan 4.420 nan 0.000 0.266 93 P C 0.738 178.109 177.300 0.119 0.000 1.193 93 P CA 0.002 63.161 63.100 0.098 0.000 0.770 93 P CB 0.434 32.213 31.700 0.131 0.000 0.836 94 E N 2.321 122.578 120.200 0.094 0.000 2.072 94 E HA -0.233 4.117 4.350 0.001 0.000 0.191 94 E C 0.840 177.509 176.600 0.115 0.000 0.985 94 E CA 1.435 57.888 56.400 0.087 0.000 0.801 94 E CB -0.786 28.951 29.700 0.062 0.000 0.750 94 E HN 0.634 nan 8.360 nan 0.000 0.452 95 N N -0.297 118.477 118.700 0.124 0.000 2.575 95 N HA -0.130 4.611 4.740 0.001 0.000 0.192 95 N C 1.442 177.020 175.510 0.114 0.000 1.200 95 N CA 0.065 53.193 53.050 0.130 0.000 0.897 95 N CB -0.368 38.199 38.487 0.133 0.000 0.990 95 N HN 0.330 nan 8.380 nan 0.000 0.449 96 W N 1.875 123.155 121.300 -0.034 0.000 2.315 96 W HA -0.074 4.587 4.660 0.001 0.000 0.323 96 W C 0.867 177.339 176.519 -0.078 0.000 1.233 96 W CA 2.434 59.761 57.345 -0.030 0.000 1.267 96 W CB -0.288 29.171 29.460 -0.001 0.000 1.160 96 W HN 0.138 nan 8.180 nan 0.000 0.474 97 G N -0.930 107.920 108.800 0.084 0.000 2.511 97 G HA2 0.048 4.008 3.960 0.001 0.000 0.230 97 G HA3 0.048 4.008 3.960 0.001 0.000 0.230 97 G C -0.008 174.791 174.900 -0.169 0.000 1.264 97 G CA -0.516 44.300 45.100 -0.473 0.000 0.866 97 G HN 0.744 nan 8.290 nan 0.000 0.523 98 G N 0.669 109.498 108.800 0.049 0.000 3.197 98 G HA2 0.419 4.379 3.960 0.001 0.000 0.257 98 G HA3 0.419 4.379 3.960 0.001 0.000 0.257 98 G C 0.285 175.123 174.900 -0.103 0.000 0.835 98 G CA -0.296 44.818 45.100 0.024 0.000 2.001 98 G HN 0.538 nan 8.290 nan 0.000 0.625 99 Y N 0.152 120.493 120.300 0.068 0.000 2.377 99 Y HA 0.136 4.686 4.550 0.001 0.000 0.330 99 Y C 1.254 177.162 175.900 0.014 0.000 1.108 99 Y CA -0.413 57.708 58.100 0.035 0.000 1.308 99 Y CB 1.989 40.480 38.460 0.051 0.000 1.216 99 Y HN 0.062 nan 8.280 nan 0.000 0.518 100 V N 2.603 122.579 119.914 0.105 0.000 3.590 100 V HA -0.141 3.980 4.120 0.001 0.000 0.265 100 V C 1.502 177.633 176.094 0.063 0.000 1.239 100 V CA 1.378 63.646 62.300 -0.054 0.000 1.117 100 V CB -0.204 31.270 31.823 -0.581 0.000 0.818 100 V HN 1.042 nan 8.190 nan 0.000 0.451 101 T N 1.723 116.312 114.554 0.057 0.000 2.624 101 T HA -0.156 4.194 4.350 0.001 0.000 0.268 101 T C -0.224 174.469 174.700 -0.013 0.000 1.041 101 T CA 2.356 64.465 62.100 0.015 0.000 1.159 101 T CB -1.302 67.553 68.868 -0.022 0.000 0.863 101 T HN 0.461 nan 8.240 nan 0.000 0.434 102 P HA -0.056 nan 4.420 nan 0.000 0.219 102 P C 0.620 177.733 177.300 -0.311 0.000 1.146 102 P CA 0.955 63.911 63.100 -0.241 0.000 0.808 102 P CB -0.228 31.238 31.700 -0.389 0.000 0.779 103 W N -0.804 120.496 121.300 0.001 0.000 2.453 103 W HA -0.004 4.656 4.660 0.001 0.000 0.289 103 W C 2.291 178.847 176.519 0.061 0.000 1.215 103 W CA 0.502 57.867 57.345 0.034 0.000 1.297 103 W CB -1.093 28.394 29.460 0.046 0.000 1.113 103 W HN -0.206 nan 8.180 nan 0.000 0.551 104 V N -1.074 118.978 119.914 0.229 0.000 2.719 104 V HA -0.145 3.975 4.120 0.001 0.000 0.252 104 V C 1.881 178.033 176.094 0.097 0.000 1.065 104 V CA 2.489 64.898 62.300 0.182 0.000 1.086 104 V CB -0.704 31.215 31.823 0.160 0.000 0.700 104 V HN 0.108 nan 8.190 nan 0.000 0.467 105 T N 0.359 114.939 114.554 0.045 0.000 2.720 105 T HA -0.211 4.139 4.350 0.001 0.000 0.268 105 T C 1.781 176.486 174.700 0.008 0.000 1.037 105 T CA 2.386 64.489 62.100 0.005 0.000 1.144 105 T CB -0.174 68.671 68.868 -0.038 0.000 0.864 105 T HN 0.727 nan 8.240 nan 0.000 0.444 106 E N 0.239 120.446 120.200 0.012 0.000 2.112 106 E HA 0.076 4.426 4.350 0.001 0.000 0.190 106 E C 1.993 178.639 176.600 0.076 0.000 0.979 106 E CA 0.655 57.069 56.400 0.024 0.000 0.814 106 E CB -0.290 29.409 29.700 -0.002 0.000 0.762 106 E HN 0.533 nan 8.360 nan 0.000 0.460 107 I N -0.078 120.564 120.570 0.119 0.000 2.286 107 I HA -0.261 3.909 4.170 0.001 0.000 0.248 107 I C 2.235 178.392 176.117 0.067 0.000 1.115 107 I CA 0.905 62.272 61.300 0.110 0.000 1.392 107 I CB -0.151 37.931 38.000 0.137 0.000 1.065 107 I HN 0.058 nan 8.210 nan 0.000 0.418 108 S N 0.701 116.434 115.700 0.054 0.000 2.345 108 S HA -0.138 4.333 4.470 0.001 0.000 0.220 108 S C 1.778 176.391 174.600 0.021 0.000 1.031 108 S CA 1.397 59.614 58.200 0.030 0.000 0.996 108 S CB -0.275 62.937 63.200 0.019 0.000 0.882 108 S HN 0.441 nan 8.310 nan 0.000 0.445 109 N N 1.634 120.346 118.700 0.019 0.000 2.109 109 N HA 0.021 4.762 4.740 0.001 0.000 0.188 109 N C 1.051 176.572 175.510 0.019 0.000 1.034 109 N CA 1.198 54.256 53.050 0.013 0.000 0.846 109 N CB -0.439 38.050 38.487 0.004 0.000 1.010 109 N HN 0.519 nan 8.380 nan 0.000 0.425 110 N N -0.709 118.009 118.700 0.030 0.000 2.166 110 N HA 0.235 4.976 4.740 0.001 0.000 0.213 110 N C -0.485 175.054 175.510 0.048 0.000 1.222 110 N CA -0.069 53.002 53.050 0.035 0.000 0.900 110 N CB 1.191 39.698 38.487 0.033 0.000 1.055 110 N HN -0.023 nan 8.380 nan 0.000 0.515 111 L N 1.747 123.005 121.223 0.058 0.000 2.475 111 L HA 0.360 4.701 4.340 0.001 0.000 0.253 111 L C 0.892 177.787 176.870 0.040 0.000 1.137 111 L CA -0.184 54.691 54.840 0.059 0.000 1.058 111 L CB 0.440 42.547 42.059 0.079 0.000 1.382 111 L HN 0.001 nan 8.230 nan 0.000 0.416 112 R N 0.259 120.777 120.500 0.031 0.000 2.313 112 R HA 0.023 4.363 4.340 0.001 0.000 0.199 112 R C 0.821 177.130 176.300 0.014 0.000 0.958 112 R CA 0.381 56.493 56.100 0.020 0.000 1.047 112 R CB 0.317 30.627 30.300 0.016 0.000 0.955 112 R HN 0.578 nan 8.270 nan 0.000 0.481 113 Q N 0.166 119.975 119.800 0.015 0.000 2.194 113 Q HA 0.110 4.450 4.340 0.001 0.000 0.214 113 Q C -0.310 175.691 176.000 0.002 0.000 0.838 113 Q CA -0.257 55.550 55.803 0.006 0.000 0.972 113 Q CB 0.605 29.346 28.738 0.004 0.000 1.131 113 Q HN 0.101 nan 8.270 nan 0.000 0.498 114 L N 2.945 124.172 121.223 0.007 0.000 2.500 114 L HA -0.016 4.325 4.340 0.001 0.000 0.272 114 L C 1.086 177.950 176.870 -0.010 0.000 1.149 114 L CA 0.800 55.640 54.840 -0.001 0.000 0.897 114 L CB 0.530 42.595 42.059 0.010 0.000 1.178 114 L HN 0.093 nan 8.230 nan 0.000 0.473 115 K N 1.543 121.932 120.400 -0.017 0.000 2.360 115 K HA 0.262 4.583 4.320 0.001 0.000 0.196 115 K C 0.331 176.911 176.600 -0.033 0.000 1.049 115 K CA -0.050 56.224 56.287 -0.020 0.000 1.049 115 K CB 0.436 32.926 32.500 -0.017 0.000 0.881 115 K HN 0.421 nan 8.250 nan 0.000 0.542 116 S N 0.563 116.238 115.700 -0.043 0.000 2.547 116 S HA 0.565 5.035 4.470 0.001 0.000 0.281 116 S C -1.277 173.257 174.600 -0.109 0.000 1.118 116 S CA -0.642 57.519 58.200 -0.066 0.000 0.947 116 S CB 1.817 64.992 63.200 -0.041 0.000 1.053 116 S HN 0.032 nan 8.310 nan 0.000 0.482 117 V N 4.625 124.426 119.914 -0.190 0.000 2.638 117 V HA 0.569 4.689 4.120 0.001 0.000 0.306 117 V C -1.138 174.713 176.094 -0.404 0.000 1.052 117 V CA -0.731 61.356 62.300 -0.356 0.000 0.885 117 V CB 1.676 33.183 31.823 -0.528 0.000 0.999 117 V HN 0.992 nan 8.190 nan 0.000 0.424 118 H N 4.759 123.527 119.070 -0.502 0.000 2.860 118 H HA 0.591 5.147 4.556 0.001 0.000 0.312 118 H C -1.783 173.350 175.328 -0.324 0.000 0.995 118 H CA -1.683 54.155 56.048 -0.349 0.000 1.311 118 H CB 0.888 30.558 29.762 -0.154 0.000 1.478 118 H HN 0.401 nan 8.280 nan 0.000 0.508 119 F N 4.081 124.128 119.950 0.161 0.000 2.385 119 F HA 0.390 4.918 4.527 0.001 0.000 0.360 119 F C 0.763 176.574 175.800 0.019 0.000 1.122 119 F CA -0.813 57.188 58.000 0.001 0.000 1.090 119 F CB 0.857 39.852 39.000 -0.007 0.000 1.150 119 F HN 0.363 nan 8.300 nan 0.000 0.472 120 R N 2.660 123.189 120.500 0.048 0.000 2.255 120 R HA 0.505 4.846 4.340 0.001 0.000 0.326 120 R C 0.363 176.666 176.300 0.005 0.000 0.986 120 R CA -0.431 55.663 56.100 -0.010 0.000 0.847 120 R CB 0.456 30.651 30.300 -0.175 0.000 1.111 120 R HN 0.678 nan 8.270 nan 0.000 0.452 121 R N 3.072 123.591 120.500 0.031 0.000 3.516 121 R HA -0.174 4.167 4.340 0.001 0.000 0.271 121 R C -0.515 175.797 176.300 0.020 0.000 1.098 121 R CA 1.031 57.135 56.100 0.007 0.000 0.732 121 R CB -0.988 29.282 30.300 -0.049 0.000 1.152 121 R HN 0.556 nan 8.270 nan 0.000 0.455 122 M N 0.285 119.908 119.600 0.038 0.000 2.573 122 M HA 0.402 4.882 4.480 0.001 0.000 0.309 122 M C 0.602 176.918 176.300 0.027 0.000 1.202 122 M CA -0.825 54.472 55.300 -0.005 0.000 0.975 122 M CB 1.142 33.670 32.600 -0.120 0.000 1.600 122 M HN -0.051 nan 8.290 nan 0.000 0.479 123 I N 1.366 121.942 120.570 0.011 0.000 2.371 123 I HA 0.280 4.451 4.170 0.001 0.000 0.290 123 I C -0.571 175.604 176.117 0.096 0.000 1.028 123 I CA -0.428 60.922 61.300 0.085 0.000 1.345 123 I CB 0.949 38.995 38.000 0.076 0.000 1.407 123 I HN 0.255 nan 8.210 nan 0.000 0.501 124 V N 5.482 125.488 119.914 0.154 0.000 2.462 124 V HA 0.204 4.324 4.120 0.001 0.000 0.288 124 V C 0.122 176.329 176.094 0.187 0.000 1.020 124 V CA -0.590 61.765 62.300 0.092 0.000 0.857 124 V CB 1.504 33.342 31.823 0.025 0.000 1.013 124 V HN 0.773 nan 8.190 nan 0.000 0.431 125 S N 2.635 118.408 115.700 0.122 0.000 2.566 125 S HA 0.011 4.481 4.470 0.001 0.000 0.280 125 S C 1.140 175.815 174.600 0.126 0.000 1.343 125 S CA -0.226 58.046 58.200 0.120 0.000 1.036 125 S CB 0.477 63.715 63.200 0.063 0.000 0.866 125 S HN 0.806 nan 8.310 nan 0.000 0.526 126 D N 0.937 121.419 120.400 0.137 0.000 2.144 126 D HA -0.114 4.527 4.640 0.001 0.000 0.199 126 D C 1.872 178.208 176.300 0.060 0.000 0.984 126 D CA 0.671 54.730 54.000 0.098 0.000 0.834 126 D CB -0.178 40.678 40.800 0.093 0.000 0.955 126 D HN 0.349 nan 8.370 nan 0.000 0.465 127 L N 1.700 122.955 121.223 0.053 0.000 2.012 127 L HA -0.214 4.126 4.340 0.001 0.000 0.210 127 L C 1.378 178.266 176.870 0.030 0.000 1.073 127 L CA 2.189 57.050 54.840 0.035 0.000 0.748 127 L CB -0.714 41.358 42.059 0.022 0.000 0.891 127 L HN -0.023 nan 8.230 nan 0.000 0.431 128 D N -1.948 118.470 120.400 0.030 0.000 2.305 128 D HA -0.115 4.525 4.640 0.001 0.000 0.206 128 D C 2.036 178.361 176.300 0.041 0.000 0.974 128 D CA 0.239 54.257 54.000 0.030 0.000 0.871 128 D CB -0.423 40.390 40.800 0.022 0.000 0.947 128 D HN 0.192 nan 8.370 nan 0.000 0.516 129 L N 1.425 122.665 121.223 0.028 0.000 1.956 129 L HA -0.190 4.151 4.340 0.001 0.000 0.216 129 L C 2.018 178.909 176.870 0.035 0.000 1.073 129 L CA 1.964 56.813 54.840 0.015 0.000 0.762 129 L CB -1.311 40.723 42.059 -0.041 0.000 0.889 129 L HN 0.104 nan 8.230 nan 0.000 0.433 130 D N -1.251 119.174 120.400 0.043 0.000 2.106 130 D HA -0.213 4.427 4.640 0.001 0.000 0.191 130 D C 2.286 178.602 176.300 0.027 0.000 0.997 130 D CA 1.331 55.367 54.000 0.059 0.000 0.834 130 D CB 0.057 40.895 40.800 0.063 0.000 0.956 130 D HN 0.166 nan 8.370 nan 0.000 0.448 131 R N 0.053 120.565 120.500 0.020 0.000 2.096 131 R HA -0.153 4.188 4.340 0.001 0.000 0.240 131 R C 2.491 178.798 176.300 0.012 0.000 1.139 131 R CA 0.931 57.035 56.100 0.006 0.000 0.952 131 R CB -0.885 29.423 30.300 0.013 0.000 0.854 131 R HN 0.362 nan 8.270 nan 0.000 0.436 132 L N 0.551 121.798 121.223 0.041 0.000 2.081 132 L HA -0.213 4.128 4.340 0.001 0.000 0.212 132 L C 2.263 179.150 176.870 0.029 0.000 1.080 132 L CA 1.946 56.818 54.840 0.054 0.000 0.754 132 L CB -0.551 41.561 42.059 0.089 0.000 0.893 132 L HN 0.235 nan 8.230 nan 0.000 0.433 133 A N -0.436 122.401 122.820 0.028 0.000 1.898 133 A HA -0.166 4.155 4.320 0.001 0.000 0.214 133 A C 2.192 179.750 177.584 -0.044 0.000 1.183 133 A CA 1.126 53.190 52.037 0.044 0.000 0.622 133 A CB -0.196 18.894 19.000 0.149 0.000 0.824 133 A HN 0.380 nan 8.150 nan 0.000 0.444 134 K N -0.163 120.149 120.400 -0.147 0.000 2.296 134 K HA 0.167 4.488 4.320 0.001 0.000 0.200 134 K C 2.077 178.608 176.600 -0.115 0.000 1.048 134 K CA 0.754 56.888 56.287 -0.255 0.000 0.966 134 K CB -0.115 32.205 32.500 -0.300 0.000 0.754 134 K HN 0.415 nan 8.250 nan 0.000 0.466 135 A N 1.065 123.850 122.820 -0.057 0.000 1.874 135 A HA -0.047 4.274 4.320 0.001 0.000 0.214 135 A C 2.029 179.605 177.584 -0.012 0.000 1.189 135 A CA 1.137 53.159 52.037 -0.025 0.000 0.615 135 A CB -0.089 18.910 19.000 -0.002 0.000 0.830 135 A HN 0.020 nan 8.150 nan 0.000 0.443 136 R N -1.275 119.223 120.500 -0.004 0.000 2.112 136 R HA 0.404 4.745 4.340 0.001 0.000 0.216 136 R C 1.365 177.668 176.300 0.005 0.000 1.080 136 R CA 0.959 57.061 56.100 0.003 0.000 0.996 136 R CB -0.856 29.449 30.300 0.008 0.000 0.902 136 R HN 0.744 nan 8.270 nan 0.000 0.449 137 A N 0.566 123.392 122.820 0.010 0.000 5.584 137 A HA -0.340 3.980 4.320 0.001 0.000 0.303 137 A C 1.028 178.631 177.584 0.032 0.000 1.923 137 A CA 1.574 53.628 52.037 0.029 0.000 0.717 137 A CB -1.676 17.331 19.000 0.012 0.000 1.281 137 A HN 0.369 nan 8.150 nan 0.000 0.379 138 D N -0.039 120.378 120.400 0.029 0.000 2.384 138 D HA 0.078 4.718 4.640 0.001 0.000 0.222 138 D C 1.102 177.411 176.300 0.015 0.000 0.976 138 D CA 1.300 55.315 54.000 0.025 0.000 0.915 138 D CB -0.334 40.481 40.800 0.024 0.000 0.896 138 D HN 0.471 nan 8.370 nan 0.000 0.523 139 D N -0.488 119.918 120.400 0.010 0.000 2.249 139 D HA -0.017 4.623 4.640 0.001 0.000 0.205 139 D C 0.516 176.816 176.300 -0.001 0.000 0.962 139 D CA 0.036 54.038 54.000 0.004 0.000 0.860 139 D CB 0.109 40.911 40.800 0.002 0.000 0.955 139 D HN 0.137 nan 8.370 nan 0.000 0.505 140 L N 1.279 122.503 121.223 0.001 0.000 2.385 140 L HA 0.115 4.456 4.340 0.001 0.000 0.281 140 L C 0.937 177.800 176.870 -0.011 0.000 1.106 140 L CA 0.490 55.325 54.840 -0.009 0.000 0.856 140 L CB 0.674 42.729 42.059 -0.008 0.000 1.186 140 L HN -0.124 nan 8.230 nan 0.000 0.453 141 E N 1.743 121.931 120.200 -0.020 0.000 2.244 141 E HA 0.067 4.417 4.350 0.001 0.000 0.196 141 E C -0.217 176.367 176.600 -0.027 0.000 0.939 141 E CA 0.659 57.048 56.400 -0.018 0.000 0.884 141 E CB 0.580 30.269 29.700 -0.019 0.000 0.850 141 E HN 0.719 nan 8.360 nan 0.000 0.481 142 T N -0.407 114.119 114.554 -0.047 0.000 2.971 142 T HA 0.485 4.835 4.350 0.001 0.000 0.304 142 T C -1.528 173.111 174.700 -0.103 0.000 1.038 142 T CA -0.908 61.152 62.100 -0.066 0.000 1.007 142 T CB 1.491 70.316 68.868 -0.071 0.000 1.055 142 T HN 0.018 nan 8.240 nan 0.000 0.451 143 L N 3.448 124.603 121.223 -0.114 0.000 2.406 143 L HA 0.680 5.020 4.340 0.001 0.000 0.270 143 L C -1.020 175.746 176.870 -0.173 0.000 0.982 143 L CA -0.404 54.339 54.840 -0.162 0.000 0.843 143 L CB 1.396 43.375 42.059 -0.134 0.000 1.225 143 L HN 0.717 nan 8.230 nan 0.000 0.412 144 K N 6.430 126.692 120.400 -0.230 0.000 2.263 144 K HA 0.524 4.845 4.320 0.001 0.000 0.272 144 K C -1.040 175.522 176.600 -0.063 0.000 1.033 144 K CA -0.387 55.775 56.287 -0.208 0.000 0.884 144 K CB 1.419 33.623 32.500 -0.494 0.000 1.107 144 K HN 0.581 nan 8.250 nan 0.000 0.460 145 L N 3.537 124.754 121.223 -0.010 0.000 2.287 145 L HA 0.215 4.556 4.340 0.001 0.000 0.280 145 L C -0.444 176.524 176.870 0.164 0.000 1.055 145 L CA -0.518 54.375 54.840 0.089 0.000 0.863 145 L CB 0.370 42.401 42.059 -0.046 0.000 1.245 145 L HN 0.597 nan 8.230 nan 0.000 0.432 146 D N 4.861 125.382 120.400 0.202 0.000 2.461 146 D HA 0.187 4.827 4.640 0.001 0.000 0.240 146 D C 0.192 176.579 176.300 0.145 0.000 1.094 146 D CA -0.518 53.592 54.000 0.184 0.000 0.868 146 D CB 0.744 41.736 40.800 0.319 0.000 1.062 146 D HN 0.329 nan 8.370 nan 0.000 0.530 147 K N 1.418 121.884 120.400 0.110 0.000 3.035 147 K HA -0.184 4.137 4.320 0.001 0.000 0.262 147 K C -0.236 176.419 176.600 0.091 0.000 1.024 147 K CA 0.488 56.812 56.287 0.062 0.000 0.748 147 K CB -2.032 30.468 32.500 -0.001 0.000 1.247 147 K HN 0.436 nan 8.250 nan 0.000 0.482 148 C N 0.152 119.561 119.300 0.181 0.000 2.328 148 C HA 0.699 5.160 4.460 0.001 0.000 0.378 148 C C 0.949 176.105 174.990 0.277 0.000 1.249 148 C CA -0.063 59.094 59.018 0.231 0.000 2.204 148 C CB 1.480 29.401 27.740 0.302 0.000 2.218 148 C HN 0.626 nan 8.230 nan 0.000 0.564 149 S N -1.070 114.791 115.700 0.268 0.000 2.596 149 S HA 0.740 5.210 4.470 0.001 0.000 0.270 149 S C -0.123 174.614 174.600 0.227 0.000 1.155 149 S CA 0.373 58.676 58.200 0.170 0.000 0.827 149 S CB 1.297 64.532 63.200 0.059 0.000 1.130 149 S HN 2.298 nan 8.310 nan 0.000 0.467 150 G N 0.259 109.125 108.800 0.109 0.000 2.211 150 G HA2 -0.089 3.872 3.960 0.001 0.000 0.201 150 G HA3 -0.089 3.872 3.960 0.001 0.000 0.201 150 G C -0.136 174.885 174.900 0.202 0.000 0.997 150 G CA 0.064 45.258 45.100 0.157 0.000 0.652 150 G HN 1.541 nan 8.290 nan 0.000 0.500 151 F N 0.975 120.986 119.950 0.102 0.000 2.456 151 F HA 0.933 5.461 4.527 0.001 0.000 0.364 151 F C 0.517 176.378 175.800 0.102 0.000 1.092 151 F CA -0.191 57.848 58.000 0.064 0.000 1.125 151 F CB 0.907 39.905 39.000 -0.003 0.000 1.543 151 F HN 0.528 nan 8.300 nan 0.000 0.504 152 T N -4.263 110.409 114.554 0.197 0.000 2.762 152 T HA 0.260 4.611 4.350 0.001 0.000 0.301 152 T C 0.397 175.135 174.700 0.064 0.000 1.299 152 T CA -0.123 62.034 62.100 0.094 0.000 1.005 152 T CB 0.773 69.701 68.868 0.100 0.000 1.377 152 T HN 0.934 nan 8.240 nan 0.000 0.504 153 T N -1.342 113.241 114.554 0.049 0.000 3.077 153 T HA -0.024 4.326 4.350 0.001 0.000 0.269 153 T C 1.017 175.744 174.700 0.044 0.000 1.146 153 T CA 1.221 63.324 62.100 0.005 0.000 1.091 153 T CB -0.633 68.342 68.868 0.179 0.000 0.892 153 T HN 0.586 nan 8.240 nan 0.000 0.533 154 D N 2.013 122.452 120.400 0.065 0.000 2.084 154 D HA 0.017 4.658 4.640 0.001 0.000 0.196 154 D C 2.480 178.803 176.300 0.039 0.000 0.985 154 D CA 1.460 55.496 54.000 0.060 0.000 0.826 154 D CB -0.948 39.890 40.800 0.064 0.000 0.978 154 D HN 0.544 nan 8.370 nan 0.000 0.456 155 G N 0.937 109.762 108.800 0.041 0.000 2.450 155 G HA2 -0.195 3.766 3.960 0.001 0.000 0.220 155 G HA3 -0.195 3.766 3.960 0.001 0.000 0.220 155 G C 1.775 176.634 174.900 -0.068 0.000 1.130 155 G CA 0.279 45.381 45.100 0.004 0.000 0.760 155 G HN 0.230 nan 8.290 nan 0.000 0.557 156 L N -0.493 120.652 121.223 -0.130 0.000 2.046 156 L HA -0.042 4.299 4.340 0.001 0.000 0.208 156 L C 2.740 179.589 176.870 -0.035 0.000 1.077 156 L CA 0.709 55.416 54.840 -0.221 0.000 0.747 156 L CB -0.565 41.152 42.059 -0.569 0.000 0.896 156 L HN 0.243 nan 8.230 nan 0.000 0.432 157 L N -0.336 120.913 121.223 0.043 0.000 2.012 157 L HA -0.231 4.109 4.340 0.001 0.000 0.210 157 L C 2.803 179.669 176.870 -0.007 0.000 1.073 157 L CA 1.984 56.867 54.840 0.072 0.000 0.748 157 L CB -0.681 41.415 42.059 0.062 0.000 0.891 157 L HN 0.143 nan 8.230 nan 0.000 0.431 158 S N -0.491 115.205 115.700 -0.005 0.000 2.359 158 S HA -0.225 4.245 4.470 0.001 0.000 0.223 158 S C 2.094 176.707 174.600 0.023 0.000 1.039 158 S CA 1.891 60.094 58.200 0.005 0.000 1.042 158 S CB -0.633 62.613 63.200 0.077 0.000 0.915 158 S HN 0.573 nan 8.310 nan 0.000 0.439 159 I N 1.506 122.087 120.570 0.019 0.000 2.394 159 I HA -0.008 4.162 4.170 0.001 0.000 0.251 159 I C 1.826 177.951 176.117 0.014 0.000 1.136 159 I CA 1.481 62.797 61.300 0.027 0.000 1.425 159 I CB -0.625 37.369 38.000 -0.010 0.000 1.079 159 I HN 0.242 nan 8.210 nan 0.000 0.425 160 V N -0.752 119.169 119.914 0.011 0.000 3.380 160 V HA 0.021 4.141 4.120 0.001 0.000 0.268 160 V C 2.098 178.165 176.094 -0.044 0.000 1.168 160 V CA 1.379 63.693 62.300 0.023 0.000 1.156 160 V CB -2.181 29.698 31.823 0.093 0.000 0.785 160 V HN 0.716 nan 8.190 nan 0.000 0.487 161 T N -2.982 111.497 114.554 -0.126 0.000 3.018 161 T HA 0.089 4.439 4.350 0.001 0.000 0.246 161 T C 1.596 176.156 174.700 -0.234 0.000 1.026 161 T CA 0.908 62.865 62.100 -0.238 0.000 1.081 161 T CB -0.526 68.138 68.868 -0.339 0.000 0.970 161 T HN 0.556 nan 8.240 nan 0.000 0.475 162 H N -0.145 118.908 119.070 -0.028 0.000 2.512 162 H HA 0.343 4.899 4.556 0.001 0.000 0.279 162 H C 0.256 175.577 175.328 -0.013 0.000 0.999 162 H CA 0.195 56.231 56.048 -0.020 0.000 1.283 162 H CB 0.163 29.918 29.762 -0.012 0.000 1.421 162 H HN 0.356 nan 8.280 nan 0.000 0.554 163 C N 1.551 120.901 119.300 0.083 0.000 2.357 163 C HA 0.304 4.765 4.460 0.001 0.000 0.300 163 C C 1.237 176.247 174.990 0.033 0.000 1.074 163 C CA -0.742 58.307 59.018 0.053 0.000 1.566 163 C CB -0.229 27.536 27.740 0.042 0.000 1.791 163 C HN 0.557 nan 8.230 nan 0.000 0.415 164 R N 0.657 121.177 120.500 0.034 0.000 2.276 164 R HA 0.043 4.383 4.340 0.001 0.000 0.196 164 R C 0.985 177.309 176.300 0.041 0.000 0.961 164 R CA 0.595 56.716 56.100 0.035 0.000 1.024 164 R CB 0.275 30.600 30.300 0.041 0.000 0.940 164 R HN 0.556 nan 8.270 nan 0.000 0.480 165 K N 0.661 121.081 120.400 0.032 0.000 2.593 165 K HA 0.274 4.594 4.320 0.001 0.000 0.208 165 K C -0.095 176.518 176.600 0.021 0.000 1.051 165 K CA -0.196 56.107 56.287 0.026 0.000 1.111 165 K CB 0.676 33.188 32.500 0.020 0.000 0.849 165 K HN -0.005 nan 8.250 nan 0.000 0.479 166 I N 1.398 121.983 120.570 0.026 0.000 2.813 166 I HA -0.122 4.049 4.170 0.001 0.000 0.287 166 I C 1.066 177.196 176.117 0.023 0.000 1.196 166 I CA 0.990 62.302 61.300 0.021 0.000 1.421 166 I CB 0.956 38.974 38.000 0.030 0.000 1.365 166 I HN 0.283 nan 8.210 nan 0.000 0.591 167 K N 1.930 122.338 120.400 0.012 0.000 2.443 167 K HA 0.074 4.395 4.320 0.001 0.000 0.200 167 K C 0.187 176.794 176.600 0.012 0.000 1.278 167 K CA 0.313 56.606 56.287 0.012 0.000 0.925 167 K CB 0.696 33.196 32.500 -0.000 0.000 1.225 167 K HN 0.757 nan 8.250 nan 0.000 0.514 168 T N 0.043 114.597 114.554 -0.001 0.000 2.928 168 T HA 0.562 4.913 4.350 0.001 0.000 0.296 168 T C -1.621 173.074 174.700 -0.009 0.000 1.000 168 T CA -0.797 61.299 62.100 -0.005 0.000 0.989 168 T CB 1.361 70.209 68.868 -0.033 0.000 1.005 168 T HN -0.038 nan 8.240 nan 0.000 0.442 169 L N 4.967 126.206 121.223 0.027 0.000 2.441 169 L HA 0.801 5.141 4.340 0.001 0.000 0.270 169 L C -1.755 175.154 176.870 0.065 0.000 0.973 169 L CA -0.755 54.104 54.840 0.031 0.000 0.842 169 L CB 1.633 43.740 42.059 0.081 0.000 1.239 169 L HN 0.905 nan 8.230 nan 0.000 0.406 170 L N 5.687 126.918 121.223 0.014 0.000 2.386 170 L HA 0.614 4.955 4.340 0.001 0.000 0.271 170 L C -0.843 176.071 176.870 0.072 0.000 0.993 170 L CA -0.474 54.399 54.840 0.055 0.000 0.819 170 L CB 2.053 44.096 42.059 -0.027 0.000 1.294 170 L HN 0.870 nan 8.230 nan 0.000 0.414 171 M N 3.545 123.254 119.600 0.181 0.000 2.875 171 M HA 0.266 4.747 4.480 0.001 0.000 0.403 171 M C -0.278 176.184 176.300 0.271 0.000 1.304 171 M CA -0.190 55.244 55.300 0.223 0.000 0.854 171 M CB 0.842 33.583 32.600 0.234 0.000 1.415 171 M HN 0.521 nan 8.290 nan 0.000 0.505 172 E N 2.336 122.656 120.200 0.201 0.000 2.351 172 E HA -0.023 4.327 4.350 0.001 0.000 0.266 172 E C 0.108 176.783 176.600 0.124 0.000 1.031 172 E CA 0.643 57.147 56.400 0.173 0.000 0.911 172 E CB 0.387 30.177 29.700 0.150 0.000 0.986 172 E HN 0.445 nan 8.360 nan 0.000 0.446 173 E N 1.586 121.830 120.200 0.072 0.000 3.801 173 E HA -0.197 4.153 4.350 0.001 0.000 0.319 173 E C -0.609 175.994 176.600 0.006 0.000 0.784 173 E CA 0.590 56.991 56.400 0.002 0.000 1.183 173 E CB -1.070 28.628 29.700 -0.004 0.000 1.601 173 E HN 0.524 nan 8.360 nan 0.000 0.441 174 S N -0.082 115.675 115.700 0.095 0.000 2.624 174 S HA 0.386 4.856 4.470 0.001 0.000 0.263 174 S C 0.011 174.550 174.600 -0.101 0.000 1.287 174 S CA 0.068 58.349 58.200 0.135 0.000 0.990 174 S CB 1.505 64.978 63.200 0.455 0.000 0.950 174 S HN 0.350 nan 8.310 nan 0.000 0.561 175 S N 1.262 116.853 115.700 -0.182 0.000 2.594 175 S HA 0.818 5.289 4.470 0.001 0.000 0.296 175 S C -0.805 173.476 174.600 -0.533 0.000 1.124 175 S CA -0.854 57.057 58.200 -0.482 0.000 1.011 175 S CB 0.411 63.425 63.200 -0.310 0.000 1.016 175 S HN 0.671 nan 8.310 nan 0.000 0.485 176 F N -0.677 118.961 119.950 -0.518 0.000 2.831 176 F HA 0.774 5.301 4.527 0.001 0.000 0.318 176 F C -0.775 174.812 175.800 -0.354 0.000 1.174 176 F CA -1.255 56.361 58.000 -0.640 0.000 0.918 176 F CB 0.783 39.007 39.000 -1.294 0.000 1.364 176 F HN 0.383 nan 8.300 nan 0.000 0.475 177 S N 0.463 116.215 115.700 0.087 0.000 2.452 177 S HA 0.204 4.674 4.470 0.001 0.000 0.284 177 S C -0.498 174.258 174.600 0.261 0.000 1.171 177 S CA -0.579 57.675 58.200 0.089 0.000 1.064 177 S CB 0.735 63.967 63.200 0.054 0.000 0.967 177 S HN 0.640 nan 8.310 nan 0.000 0.484 178 E N 3.011 123.340 120.200 0.216 0.000 1.932 178 E HA 0.121 4.471 4.350 0.001 0.000 0.275 178 E C 0.371 177.082 176.600 0.186 0.000 1.159 178 E CA -0.134 56.441 56.400 0.292 0.000 0.905 178 E CB 0.209 30.079 29.700 0.283 0.000 1.059 178 E HN 0.455 nan 8.360 nan 0.000 0.400 179 K N 2.712 123.216 120.400 0.173 0.000 2.128 179 K HA 0.037 4.358 4.320 0.001 0.000 0.202 179 K C -0.155 176.515 176.600 0.116 0.000 1.050 179 K CA 1.309 57.667 56.287 0.118 0.000 0.966 179 K CB 0.252 32.809 32.500 0.096 0.000 0.759 179 K HN 0.602 nan 8.250 nan 0.000 0.454 180 D N -3.258 117.230 120.400 0.147 0.000 2.626 180 D HA 0.240 4.880 4.640 0.001 0.000 0.278 180 D C 0.125 176.512 176.300 0.144 0.000 1.211 180 D CA -0.941 53.127 54.000 0.113 0.000 0.903 180 D CB 0.906 41.749 40.800 0.072 0.000 1.408 180 D HN -0.077 nan 8.370 nan 0.000 0.454 181 G N -0.907 107.927 108.800 0.057 0.000 3.284 181 G HA2 0.007 3.968 3.960 0.001 0.000 0.236 181 G HA3 0.007 3.968 3.960 0.001 0.000 0.236 181 G C 0.682 175.493 174.900 -0.148 0.000 1.158 181 G CA -0.326 44.749 45.100 -0.040 0.000 0.774 181 G HN 0.337 nan 8.290 nan 0.000 0.545 182 K N 0.534 120.915 120.400 -0.032 0.000 2.148 182 K HA -0.074 4.247 4.320 0.001 0.000 0.204 182 K C 2.233 178.811 176.600 -0.036 0.000 1.050 182 K CA 1.277 57.547 56.287 -0.027 0.000 0.942 182 K CB -0.164 32.348 32.500 0.021 0.000 0.724 182 K HN 0.675 nan 8.250 nan 0.000 0.446 183 W N 1.305 122.564 121.300 -0.067 0.000 2.358 183 W HA -0.175 4.485 4.660 0.001 0.000 0.303 183 W C 1.382 177.847 176.519 -0.090 0.000 1.208 183 W CA 0.594 57.883 57.345 -0.093 0.000 1.274 183 W CB -1.049 28.327 29.460 -0.140 0.000 1.138 183 W HN 0.012 nan 8.180 nan 0.000 0.515 184 L N 0.495 120.979 121.223 -1.231 0.000 2.005 184 L HA -0.251 4.090 4.340 0.001 0.000 0.207 184 L C 2.961 179.577 176.870 -0.423 0.000 1.072 184 L CA 2.477 56.650 54.840 -1.111 0.000 0.744 184 L CB -1.034 40.276 42.059 -1.249 0.000 0.895 184 L HN 0.007 nan 8.230 nan 0.000 0.433 185 H N -0.316 118.535 119.070 -0.364 0.000 2.394 185 H HA -0.286 4.270 4.556 0.001 0.000 0.297 185 H C 2.075 177.347 175.328 -0.093 0.000 1.113 185 H CA 2.213 58.151 56.048 -0.183 0.000 1.277 185 H CB 0.192 29.870 29.762 -0.140 0.000 1.370 185 H HN 0.338 nan 8.280 nan 0.000 0.506 186 E N 0.172 120.375 120.200 0.005 0.000 2.072 186 E HA -0.121 4.230 4.350 0.001 0.000 0.191 186 E C 2.262 178.870 176.600 0.013 0.000 0.985 186 E CA 1.113 57.525 56.400 0.020 0.000 0.801 186 E CB -0.432 29.264 29.700 -0.006 0.000 0.750 186 E HN 0.563 nan 8.360 nan 0.000 0.452 187 L N -0.034 121.174 121.223 -0.025 0.000 2.012 187 L HA -0.203 4.137 4.340 0.001 0.000 0.210 187 L C 2.507 179.362 176.870 -0.025 0.000 1.073 187 L CA 1.293 56.133 54.840 -0.001 0.000 0.748 187 L CB -0.619 41.440 42.059 -0.001 0.000 0.891 187 L HN 0.291 nan 8.230 nan 0.000 0.431 188 A N -0.767 121.984 122.820 -0.115 0.000 1.940 188 A HA -0.272 4.049 4.320 0.001 0.000 0.219 188 A C 2.161 179.664 177.584 -0.136 0.000 1.176 188 A CA 1.761 53.706 52.037 -0.154 0.000 0.631 188 A CB -0.418 18.413 19.000 -0.281 0.000 0.814 188 A HN 0.538 nan 8.150 nan 0.000 0.446 189 Q N -2.051 117.682 119.800 -0.111 0.000 2.137 189 Q HA -0.094 4.247 4.340 0.001 0.000 0.198 189 Q C 1.105 177.001 176.000 -0.174 0.000 0.960 189 Q CA 1.436 57.166 55.803 -0.122 0.000 0.847 189 Q CB 0.007 28.715 28.738 -0.050 0.000 0.915 189 Q HN 0.905 nan 8.270 nan 0.000 0.448 190 H N -1.475 117.561 119.070 -0.057 0.000 2.893 190 H HA 0.240 4.796 4.556 0.001 0.000 0.270 190 H C -0.642 174.673 175.328 -0.021 0.000 1.095 190 H CA -0.244 55.785 56.048 -0.032 0.000 1.186 190 H CB 0.428 30.177 29.762 -0.022 0.000 1.562 190 H HN 0.037 nan 8.280 nan 0.000 0.536 191 N N -0.409 118.338 118.700 0.079 0.000 2.392 191 N HA 0.167 4.907 4.740 0.001 0.000 0.283 191 N C 0.229 175.755 175.510 0.027 0.000 1.003 191 N CA -0.050 53.033 53.050 0.055 0.000 0.892 191 N CB 1.278 39.799 38.487 0.056 0.000 1.193 191 N HN -0.057 nan 8.380 nan 0.000 0.487 192 T N 0.273 114.842 114.554 0.025 0.000 2.971 192 T HA 0.104 4.455 4.350 0.001 0.000 0.252 192 T C 1.023 175.732 174.700 0.016 0.000 1.022 192 T CA 0.222 62.330 62.100 0.012 0.000 0.980 192 T CB 0.230 69.103 68.868 0.007 0.000 1.044 192 T HN 0.490 nan 8.240 nan 0.000 0.501 193 S N 1.131 116.845 115.700 0.023 0.000 2.470 193 S HA 0.239 4.710 4.470 0.001 0.000 0.222 193 S C 0.413 175.029 174.600 0.027 0.000 1.024 193 S CA -0.257 57.956 58.200 0.021 0.000 0.931 193 S CB -0.051 63.161 63.200 0.021 0.000 0.791 193 S HN 0.175 nan 8.310 nan 0.000 0.513 194 L N 3.575 124.822 121.223 0.040 0.000 2.806 194 L HA -0.063 4.278 4.340 0.001 0.000 0.282 194 L C 1.317 178.214 176.870 0.044 0.000 1.166 194 L CA 0.674 55.544 54.840 0.051 0.000 0.969 194 L CB -0.539 41.566 42.059 0.076 0.000 1.304 194 L HN 0.317 nan 8.230 nan 0.000 0.474 195 E N 2.613 122.834 120.200 0.034 0.000 2.166 195 E HA 0.092 4.442 4.350 0.001 0.000 0.192 195 E C 0.106 176.728 176.600 0.038 0.000 0.967 195 E CA 0.393 56.809 56.400 0.028 0.000 0.840 195 E CB 0.684 30.391 29.700 0.011 0.000 0.795 195 E HN 0.366 nan 8.360 nan 0.000 0.470 196 V N 1.411 121.348 119.914 0.038 0.000 2.655 196 V HA 0.456 4.576 4.120 0.001 0.000 0.301 196 V C -2.097 174.032 176.094 0.058 0.000 1.082 196 V CA -0.947 61.376 62.300 0.038 0.000 0.899 196 V CB 1.814 33.639 31.823 0.004 0.000 1.014 196 V HN 0.089 nan 8.190 nan 0.000 0.429 197 L N 6.218 127.490 121.223 0.081 0.000 2.404 197 L HA 0.736 5.076 4.340 0.001 0.000 0.272 197 L C -1.156 175.766 176.870 0.087 0.000 0.980 197 L CA 0.074 54.997 54.840 0.139 0.000 0.836 197 L CB 1.778 43.957 42.059 0.200 0.000 1.238 197 L HN 0.802 nan 8.230 nan 0.000 0.408 198 N N 5.179 123.958 118.700 0.132 0.000 2.577 198 N HA 0.338 5.078 4.740 0.001 0.000 0.275 198 N C -1.450 174.189 175.510 0.216 0.000 1.091 198 N CA -0.432 52.646 53.050 0.046 0.000 0.843 198 N CB 0.749 39.244 38.487 0.014 0.000 1.295 198 N HN 0.521 nan 8.380 nan 0.000 0.530 199 F N 2.257 122.319 119.950 0.187 0.000 2.679 199 F HA 0.413 4.941 4.527 0.001 0.000 0.354 199 F C -0.442 175.480 175.800 0.203 0.000 1.423 199 F CA -1.242 56.903 58.000 0.242 0.000 1.141 199 F CB -0.519 38.741 39.000 0.433 0.000 1.168 199 F HN 0.116 nan 8.300 nan 0.000 0.530 200 Y N 3.483 123.764 120.300 -0.031 0.000 2.810 200 Y HA 0.067 4.618 4.550 0.001 0.000 0.332 200 Y C 1.432 177.282 175.900 -0.083 0.000 1.243 200 Y CA 0.085 58.115 58.100 -0.116 0.000 1.537 200 Y CB 0.477 38.871 38.460 -0.109 0.000 1.265 200 Y HN 0.573 nan 8.280 nan 0.000 0.572 201 M N 1.836 121.091 119.600 -0.574 0.000 2.813 201 M HA -0.278 4.203 4.480 0.001 0.000 0.158 201 M C 0.530 176.639 176.300 -0.319 0.000 0.678 201 M CA 1.747 56.669 55.300 -0.631 0.000 0.585 201 M CB -3.160 28.846 32.600 -0.990 0.000 2.137 201 M HN 0.761 nan 8.290 nan 0.000 0.323 202 T N 1.630 116.102 114.554 -0.136 0.000 2.799 202 T HA 0.335 4.685 4.350 0.001 0.000 0.296 202 T C 0.622 175.209 174.700 -0.188 0.000 0.947 202 T CA -0.455 61.540 62.100 -0.175 0.000 1.141 202 T CB 0.798 69.595 68.868 -0.118 0.000 0.891 202 T HN 0.384 nan 8.240 nan 0.000 0.533 203 E N 4.377 124.412 120.200 -0.275 0.000 1.941 203 E HA 0.156 4.506 4.350 0.001 0.000 0.275 203 E C -1.154 175.297 176.600 -0.249 0.000 1.113 203 E CA -0.640 55.646 56.400 -0.191 0.000 0.878 203 E CB -0.037 29.574 29.700 -0.149 0.000 1.070 203 E HN 0.587 nan 8.360 nan 0.000 0.399 204 F N 1.852 121.811 119.950 0.014 0.000 2.445 204 F HA 0.272 4.800 4.527 0.001 0.000 0.359 204 F C 1.137 176.946 175.800 0.015 0.000 1.101 204 F CA -0.449 57.584 58.000 0.055 0.000 1.177 204 F CB 1.380 40.436 39.000 0.093 0.000 1.110 204 F HN 0.608 nan 8.300 nan 0.000 0.522 205 A N 4.035 126.972 122.820 0.195 0.000 2.842 205 A HA 0.332 4.652 4.320 0.001 0.000 0.298 205 A C 1.135 178.801 177.584 0.136 0.000 1.293 205 A CA -0.135 51.974 52.037 0.120 0.000 0.959 205 A CB -0.335 18.701 19.000 0.060 0.000 1.119 205 A HN 0.891 nan 8.150 nan 0.000 0.564 206 K N -0.375 120.133 120.400 0.178 0.000 2.343 206 K HA 0.143 4.464 4.320 0.001 0.000 0.168 206 K C -0.193 176.466 176.600 0.098 0.000 1.857 206 K CA 0.068 56.440 56.287 0.141 0.000 1.014 206 K CB -0.044 32.553 32.500 0.163 0.000 1.735 206 K HN 0.543 nan 8.250 nan 0.000 0.527 207 I N -0.644 119.983 120.570 0.095 0.000 2.797 207 I HA 0.455 4.625 4.170 0.001 0.000 0.310 207 I C 0.064 176.248 176.117 0.112 0.000 0.990 207 I CA -0.820 60.465 61.300 -0.026 0.000 1.228 207 I CB 1.775 39.663 38.000 -0.186 0.000 1.406 207 I HN -0.103 nan 8.210 nan 0.000 0.534 208 S N 3.537 119.256 115.700 0.031 0.000 2.437 208 S HA 0.458 4.928 4.470 0.001 0.000 0.305 208 S C -1.398 173.148 174.600 -0.090 0.000 1.109 208 S CA -1.748 56.468 58.200 0.026 0.000 1.099 208 S CB 1.106 64.305 63.200 -0.003 0.000 1.004 208 S HN 0.586 nan 8.310 nan 0.000 0.475 209 P HA -0.165 nan 4.420 nan 0.000 0.216 209 P C 1.044 178.118 177.300 -0.378 0.000 1.150 209 P CA 1.120 63.775 63.100 -0.741 0.000 0.843 209 P CB 0.125 31.405 31.700 -0.699 0.000 0.787 210 K N 0.438 120.716 120.400 -0.203 0.000 2.020 210 K HA -0.170 4.150 4.320 0.001 0.000 0.212 210 K C 1.767 178.297 176.600 -0.117 0.000 1.050 210 K CA 1.345 57.558 56.287 -0.123 0.000 0.929 210 K CB -1.378 31.084 32.500 -0.063 0.000 0.714 210 K HN 0.245 nan 8.250 nan 0.000 0.443 211 D N 0.856 121.188 120.400 -0.113 0.000 2.190 211 D HA -0.167 4.473 4.640 0.001 0.000 0.200 211 D C 1.956 178.180 176.300 -0.127 0.000 0.992 211 D CA 0.657 54.574 54.000 -0.138 0.000 0.854 211 D CB -0.097 40.613 40.800 -0.149 0.000 0.936 211 D HN 0.012 nan 8.370 nan 0.000 0.462 212 L N 1.422 122.552 121.223 -0.156 0.000 1.994 212 L HA -0.160 4.181 4.340 0.001 0.000 0.208 212 L C 2.258 179.151 176.870 0.038 0.000 1.071 212 L CA 1.782 56.540 54.840 -0.137 0.000 0.745 212 L CB -0.727 41.101 42.059 -0.386 0.000 0.892 212 L HN -0.078 nan 8.230 nan 0.000 0.431 213 E N -1.179 119.029 120.200 0.014 0.000 2.048 213 E HA -0.324 4.027 4.350 0.001 0.000 0.202 213 E C 2.085 178.703 176.600 0.030 0.000 1.021 213 E CA 2.383 58.831 56.400 0.079 0.000 0.825 213 E CB -0.309 29.385 29.700 -0.010 0.000 0.756 213 E HN 0.642 nan 8.360 nan 0.000 0.454 214 T N -0.749 113.787 114.554 -0.029 0.000 2.929 214 T HA -0.108 4.242 4.350 0.001 0.000 0.271 214 T C 1.828 176.511 174.700 -0.028 0.000 1.085 214 T CA 1.196 63.267 62.100 -0.049 0.000 1.125 214 T CB -0.319 68.493 68.868 -0.093 0.000 0.874 214 T HN 0.199 nan 8.240 nan 0.000 0.494 215 I N 1.141 121.714 120.570 0.005 0.000 2.286 215 I HA 0.022 4.192 4.170 0.001 0.000 0.245 215 I C 3.127 179.283 176.117 0.064 0.000 1.104 215 I CA 1.063 62.384 61.300 0.034 0.000 1.397 215 I CB -0.667 37.369 38.000 0.059 0.000 1.072 215 I HN 0.360 nan 8.210 nan 0.000 0.417 216 A N 1.570 124.457 122.820 0.112 0.000 2.067 216 A HA -0.188 4.132 4.320 0.001 0.000 0.219 216 A C 2.204 179.762 177.584 -0.042 0.000 1.158 216 A CA 1.527 53.581 52.037 0.029 0.000 0.661 216 A CB -0.545 18.372 19.000 -0.138 0.000 0.801 216 A HN 0.584 nan 8.150 nan 0.000 0.452 217 R N -1.928 118.554 120.500 -0.031 0.000 2.362 217 R HA 0.253 4.593 4.340 0.001 0.000 0.227 217 R C 0.375 176.652 176.300 -0.037 0.000 0.905 217 R CA 0.444 56.516 56.100 -0.046 0.000 1.067 217 R CB -0.024 30.245 30.300 -0.051 0.000 1.078 217 R HN 0.246 nan 8.270 nan 0.000 0.516 218 N N -0.456 118.229 118.700 -0.026 0.000 2.193 218 N HA 0.118 4.859 4.740 0.001 0.000 0.210 218 N C -0.910 174.592 175.510 -0.013 0.000 1.215 218 N CA -0.052 52.983 53.050 -0.025 0.000 0.901 218 N CB 1.164 39.633 38.487 -0.031 0.000 1.060 218 N HN 0.088 nan 8.380 nan 0.000 0.508 219 C N 2.257 121.555 119.300 -0.003 0.000 2.301 219 C HA 0.414 4.874 4.460 0.001 0.000 0.313 219 C C 1.468 176.459 174.990 0.002 0.000 1.121 219 C CA -0.698 58.325 59.018 0.009 0.000 1.507 219 C CB 0.600 28.359 27.740 0.032 0.000 1.975 219 C HN 0.185 nan 8.230 nan 0.000 0.425 220 R N 1.094 121.592 120.500 -0.004 0.000 2.093 220 R HA 0.012 4.352 4.340 0.001 0.000 0.224 220 R C 1.754 178.051 176.300 -0.005 0.000 1.101 220 R CA 0.842 56.936 56.100 -0.011 0.000 0.979 220 R CB -0.568 29.724 30.300 -0.014 0.000 0.877 220 R HN 0.582 nan 8.270 nan 0.000 0.441 221 S N 1.190 116.891 115.700 0.002 0.000 2.671 221 S HA 0.077 4.547 4.470 0.001 0.000 0.220 221 S C 0.570 175.179 174.600 0.015 0.000 0.951 221 S CA -0.399 57.804 58.200 0.005 0.000 0.932 221 S CB -0.215 62.987 63.200 0.004 0.000 0.777 221 S HN 0.075 nan 8.310 nan 0.000 0.508 222 L N 3.437 124.674 121.223 0.023 0.000 2.638 222 L HA 0.097 4.437 4.340 0.001 0.000 0.273 222 L C 0.980 177.880 176.870 0.049 0.000 1.147 222 L CA 0.232 55.099 54.840 0.046 0.000 0.941 222 L CB 0.422 42.518 42.059 0.063 0.000 1.251 222 L HN 0.168 nan 8.230 nan 0.000 0.479 223 V N 1.026 120.971 119.914 0.051 0.000 3.621 223 V HA 0.405 4.525 4.120 0.001 0.000 0.263 223 V C 0.567 176.703 176.094 0.070 0.000 1.272 223 V CA 0.624 62.952 62.300 0.047 0.000 1.080 223 V CB 0.149 31.987 31.823 0.025 0.000 0.816 223 V HN 0.777 nan 8.190 nan 0.000 0.451 224 S N 0.728 116.478 115.700 0.085 0.000 2.652 224 S HA 0.654 5.124 4.470 0.001 0.000 0.273 224 S C -1.083 173.573 174.600 0.093 0.000 1.172 224 S CA 0.109 58.358 58.200 0.083 0.000 1.009 224 S CB 1.349 64.562 63.200 0.022 0.000 1.094 224 S HN 1.676 nan 8.310 nan 0.000 0.471 225 V N 2.345 122.342 119.914 0.138 0.000 2.876 225 V HA 0.863 4.983 4.120 0.001 0.000 0.312 225 V C -1.328 174.682 176.094 -0.140 0.000 1.085 225 V CA -0.724 61.610 62.300 0.056 0.000 0.945 225 V CB 1.893 33.822 31.823 0.177 0.000 1.017 225 V HN 0.913 nan 8.190 nan 0.000 0.428 226 K N 2.976 123.200 120.400 -0.293 0.000 2.464 226 K HA 0.905 5.226 4.320 0.001 0.000 0.253 226 K C -1.708 174.597 176.600 -0.492 0.000 0.933 226 K CA -0.699 55.347 56.287 -0.401 0.000 0.801 226 K CB 2.683 34.996 32.500 -0.312 0.000 1.271 226 K HN 0.684 nan 8.250 nan 0.000 0.430 227 V N 0.361 120.042 119.914 -0.389 0.000 3.282 227 V HA 0.463 4.583 4.120 0.001 0.000 0.295 227 V C 0.007 175.966 176.094 -0.225 0.000 1.451 227 V CA -0.480 61.495 62.300 -0.542 0.000 1.062 227 V CB 2.239 33.807 31.823 -0.425 0.000 1.128 227 V HN 0.950 nan 8.190 nan 0.000 0.456 228 G N 0.015 108.736 108.800 -0.133 0.000 2.679 228 G HA2 0.166 4.126 3.960 0.001 0.000 0.202 228 G HA3 0.166 4.126 3.960 0.001 0.000 0.202 228 G C -0.102 174.703 174.900 -0.158 0.000 1.566 228 G CA 0.239 45.257 45.100 -0.137 0.000 1.074 228 G HN 0.719 nan 8.290 nan 0.000 0.564 229 D N 0.670 121.002 120.400 -0.112 0.000 3.038 229 D HA 0.129 4.770 4.640 0.001 0.000 0.243 229 D C -0.198 176.161 176.300 0.098 0.000 1.245 229 D CA 0.033 54.054 54.000 0.035 0.000 0.871 229 D CB -0.480 40.364 40.800 0.072 0.000 1.089 229 D HN 0.158 nan 8.370 nan 0.000 0.464 230 F N 1.555 121.597 119.950 0.154 0.000 2.571 230 F HA -0.065 4.462 4.527 0.001 0.000 0.390 230 F C 1.621 177.517 175.800 0.161 0.000 1.043 230 F CA -0.323 57.759 58.000 0.136 0.000 1.164 230 F CB 0.510 39.577 39.000 0.112 0.000 1.049 230 F HN -0.165 nan 8.300 nan 0.000 0.552 231 E N 4.234 124.636 120.200 0.338 0.000 2.694 231 E HA -0.118 4.232 4.350 0.001 0.000 0.250 231 E C 1.192 177.969 176.600 0.294 0.000 0.963 231 E CA 0.115 56.682 56.400 0.279 0.000 0.949 231 E CB 0.359 30.189 29.700 0.216 0.000 0.911 231 E HN 0.479 nan 8.360 nan 0.000 0.500 232 I N 4.988 125.751 120.570 0.320 0.000 2.194 232 I HA -0.342 3.828 4.170 0.001 0.000 0.246 232 I C 2.043 178.338 176.117 0.297 0.000 1.093 232 I CA 1.077 62.573 61.300 0.325 0.000 1.355 232 I CB -0.621 37.536 38.000 0.263 0.000 1.046 232 I HN 0.577 nan 8.210 nan 0.000 0.413 233 L N 0.124 121.534 121.223 0.312 0.000 2.261 233 L HA -0.199 4.142 4.340 0.001 0.000 0.216 233 L C 2.282 179.214 176.870 0.103 0.000 1.114 233 L CA 1.061 56.014 54.840 0.189 0.000 0.777 233 L CB -0.538 41.590 42.059 0.115 0.000 0.910 233 L HN 0.296 nan 8.230 nan 0.000 0.440 234 E N -0.044 120.209 120.200 0.089 0.000 2.274 234 E HA -0.095 4.255 4.350 0.001 0.000 0.194 234 E C 1.862 178.420 176.600 -0.072 0.000 0.996 234 E CA 0.666 57.064 56.400 -0.003 0.000 0.840 234 E CB 0.094 29.780 29.700 -0.023 0.000 0.772 234 E HN 0.549 nan 8.360 nan 0.000 0.491 235 L N 0.424 121.628 121.223 -0.031 0.000 2.607 235 L HA 0.031 4.372 4.340 0.001 0.000 0.228 235 L C 1.921 178.769 176.870 -0.037 0.000 1.123 235 L CA -0.202 54.559 54.840 -0.133 0.000 0.890 235 L CB 0.188 42.072 42.059 -0.291 0.000 1.103 235 L HN -0.011 nan 8.230 nan 0.000 0.468 236 V N 0.782 120.745 119.914 0.081 0.000 2.282 236 V HA -0.257 3.863 4.120 0.001 0.000 0.249 236 V C 2.688 178.807 176.094 0.041 0.000 1.057 236 V CA 2.284 64.653 62.300 0.114 0.000 1.032 236 V CB -1.281 30.577 31.823 0.058 0.000 0.645 236 V HN 0.592 nan 8.190 nan 0.000 0.447 237 G N -0.440 108.359 108.800 -0.003 0.000 2.491 237 G HA2 -0.360 3.600 3.960 0.001 0.000 0.218 237 G HA3 -0.360 3.600 3.960 0.001 0.000 0.218 237 G C 1.543 176.412 174.900 -0.051 0.000 1.180 237 G CA 1.185 46.268 45.100 -0.028 0.000 0.774 237 G HN 0.515 nan 8.290 nan 0.000 0.562 238 F N 1.031 120.853 119.950 -0.215 0.000 2.087 238 F HA -0.116 4.412 4.527 0.001 0.000 0.299 238 F C 2.321 177.969 175.800 -0.253 0.000 1.100 238 F CA 1.705 59.534 58.000 -0.285 0.000 1.226 238 F CB -0.432 38.307 39.000 -0.435 0.000 0.983 238 F HN 0.158 nan 8.300 nan 0.000 0.479 239 F N 0.782 120.531 119.950 -0.335 0.000 2.084 239 F HA -0.162 4.366 4.527 0.001 0.000 0.296 239 F C 2.410 178.002 175.800 -0.346 0.000 1.111 239 F CA 1.572 59.316 58.000 -0.427 0.000 1.224 239 F CB -0.591 38.240 39.000 -0.282 0.000 0.991 239 F HN -0.163 nan 8.300 nan 0.000 0.471 240 K N 0.423 120.793 120.400 -0.051 0.000 2.127 240 K HA -0.229 4.092 4.320 0.001 0.000 0.208 240 K C 2.213 178.735 176.600 -0.130 0.000 1.047 240 K CA 1.393 57.628 56.287 -0.088 0.000 0.927 240 K CB -0.559 31.899 32.500 -0.070 0.000 0.716 240 K HN 0.275 nan 8.250 nan 0.000 0.450 241 A N 1.588 124.297 122.820 -0.185 0.000 1.898 241 A HA 0.056 4.377 4.320 0.001 0.000 0.216 241 A C 1.359 178.813 177.584 -0.216 0.000 1.181 241 A CA 1.076 53.001 52.037 -0.186 0.000 0.620 241 A CB -0.313 18.585 19.000 -0.170 0.000 0.819 241 A HN 0.305 nan 8.150 nan 0.000 0.442 242 A N -0.407 122.205 122.820 -0.346 0.000 2.350 242 A HA 0.605 4.926 4.320 0.001 0.000 0.293 242 A C 1.137 178.631 177.584 -0.150 0.000 1.231 242 A CA 0.328 52.202 52.037 -0.272 0.000 0.883 242 A CB 0.173 18.922 19.000 -0.419 0.000 1.133 242 A HN 0.874 nan 8.150 nan 0.000 0.533 243 A N 3.031 125.793 122.820 -0.097 0.000 1.862 243 A HA 0.024 4.345 4.320 0.001 0.000 0.211 243 A C 1.448 179.004 177.584 -0.046 0.000 1.220 243 A CA 0.836 52.832 52.037 -0.068 0.000 0.616 243 A CB -0.387 18.579 19.000 -0.056 0.000 0.878 243 A HN 0.669 nan 8.150 nan 0.000 0.453 244 N N 0.172 118.853 118.700 -0.033 0.000 2.567 244 N HA 0.050 4.790 4.740 0.001 0.000 0.195 244 N C -0.125 175.385 175.510 0.001 0.000 1.242 244 N CA 0.038 53.079 53.050 -0.015 0.000 0.884 244 N CB -0.603 37.879 38.487 -0.009 0.000 1.007 244 N HN 0.381 nan 8.380 nan 0.000 0.450 245 L N 0.968 122.191 121.223 0.001 0.000 2.513 245 L HA -0.024 4.317 4.340 0.001 0.000 0.272 245 L C 1.018 177.917 176.870 0.049 0.000 1.187 245 L CA 0.767 55.634 54.840 0.045 0.000 0.895 245 L CB 0.517 42.617 42.059 0.068 0.000 1.147 245 L HN 0.155 nan 8.230 nan 0.000 0.483 246 E N 2.268 122.507 120.200 0.065 0.000 2.485 246 E HA 0.141 4.491 4.350 0.001 0.000 0.213 246 E C -0.323 176.326 176.600 0.082 0.000 0.923 246 E CA 0.005 56.438 56.400 0.055 0.000 1.054 246 E CB 0.746 30.466 29.700 0.033 0.000 1.077 246 E HN 0.643 nan 8.360 nan 0.000 0.509 247 E N 0.496 120.767 120.200 0.120 0.000 2.292 247 E HA 0.449 4.800 4.350 0.001 0.000 0.272 247 E C -1.815 174.936 176.600 0.252 0.000 0.881 247 E CA -0.758 55.716 56.400 0.123 0.000 0.754 247 E CB 1.606 31.328 29.700 0.036 0.000 1.201 247 E HN -0.051 nan 8.360 nan 0.000 0.425 248 F N 4.242 124.235 119.950 0.071 0.000 2.604 248 F HA 0.607 5.134 4.527 0.001 0.000 0.316 248 F C -1.841 173.992 175.800 0.055 0.000 1.136 248 F CA -0.440 57.637 58.000 0.130 0.000 0.989 248 F CB 1.131 40.325 39.000 0.324 0.000 1.258 248 F HN 0.669 nan 8.300 nan 0.000 0.451 249 C N 3.484 122.237 119.300 -0.912 0.000 2.994 249 C HA 1.034 5.494 4.460 0.001 0.000 0.305 249 C C 0.365 174.970 174.990 -0.642 0.000 1.251 249 C CA -0.313 58.342 59.018 -0.605 0.000 1.478 249 C CB 0.903 28.302 27.740 -0.567 0.000 1.922 249 C HN 1.537 nan 8.230 nan 0.000 0.472 250 G N 0.497 109.213 108.800 -0.139 0.000 2.378 250 G HA2 0.541 4.502 3.960 0.001 0.000 0.198 250 G HA3 0.541 4.502 3.960 0.001 0.000 0.198 250 G C 0.065 175.016 174.900 0.086 0.000 1.223 250 G CA 0.267 45.315 45.100 -0.087 0.000 1.088 250 G HN 2.900 nan 8.290 nan 0.000 0.530 251 G N -1.754 107.148 108.800 0.170 0.000 2.880 251 G HA2 0.437 4.398 3.960 0.001 0.000 0.617 251 G HA3 0.437 4.398 3.960 0.001 0.000 0.617 251 G C 0.176 175.242 174.900 0.275 0.000 1.493 251 G CA 0.790 46.101 45.100 0.353 0.000 0.916 251 G HN 2.553 nan 8.290 nan 0.000 0.553 252 S N -0.747 115.144 115.700 0.318 0.000 2.568 252 S HA 0.745 5.215 4.470 0.001 0.000 0.302 252 S C 0.359 175.102 174.600 0.238 0.000 1.082 252 S CA -0.971 57.454 58.200 0.374 0.000 1.009 252 S CB 2.191 65.619 63.200 0.380 0.000 1.069 252 S HN 0.985 nan 8.310 nan 0.000 0.500 253 L N 1.820 123.157 121.223 0.190 0.000 3.064 253 L HA 0.294 4.635 4.340 0.001 0.000 0.233 253 L C -0.232 176.740 176.870 0.171 0.000 1.333 253 L CA -0.506 54.327 54.840 -0.011 0.000 1.140 253 L CB -0.642 41.314 42.059 -0.171 0.000 1.519 253 L HN 0.604 nan 8.230 nan 0.000 0.493 254 N N 2.971 121.796 118.700 0.208 0.000 2.453 254 N HA -0.043 4.697 4.740 0.001 0.000 0.302 254 N C 0.207 175.852 175.510 0.226 0.000 1.241 254 N CA 0.377 53.518 53.050 0.152 0.000 1.129 254 N CB -0.155 38.395 38.487 0.106 0.000 1.482 254 N HN 0.488 nan 8.380 nan 0.000 0.494 255 E N -0.363 119.977 120.200 0.233 0.000 2.166 255 E HA 0.326 4.677 4.350 0.001 0.000 0.275 255 E C -0.717 175.955 176.600 0.120 0.000 0.941 255 E CA -1.075 55.478 56.400 0.255 0.000 0.784 255 E CB 0.838 30.785 29.700 0.410 0.000 1.115 255 E HN 0.392 nan 8.360 nan 0.000 0.399 256 D N 2.350 122.789 120.400 0.066 0.000 2.348 256 D HA 0.121 4.762 4.640 0.001 0.000 0.249 256 D C 1.183 177.499 176.300 0.027 0.000 1.110 256 D CA -0.716 53.305 54.000 0.034 0.000 0.967 256 D CB 0.873 41.681 40.800 0.013 0.000 1.139 256 D HN 0.615 nan 8.370 nan 0.000 0.466 257 I N -1.876 118.707 120.570 0.022 0.000 2.928 257 I HA 0.164 4.335 4.170 0.001 0.000 0.266 257 I C 1.557 177.680 176.117 0.010 0.000 1.234 257 I CA 0.483 61.795 61.300 0.020 0.000 1.483 257 I CB -0.523 37.488 38.000 0.019 0.000 1.097 257 I HN 0.501 nan 8.210 nan 0.000 0.455 258 G N 1.761 110.561 108.800 0.001 0.000 2.777 258 G HA2 0.147 4.108 3.960 0.001 0.000 0.211 258 G HA3 0.147 4.108 3.960 0.001 0.000 0.211 258 G C 0.996 175.886 174.900 -0.016 0.000 1.149 258 G CA -0.052 45.044 45.100 -0.006 0.000 0.785 258 G HN 0.233 nan 8.290 nan 0.000 0.536 259 M N 1.769 121.353 119.600 -0.027 0.000 3.157 259 M HA 0.237 4.718 4.480 0.001 0.000 0.213 259 M C -2.122 174.154 176.300 -0.039 0.000 1.177 259 M CA -2.139 53.132 55.300 -0.049 0.000 1.109 259 M CB 0.969 33.511 32.600 -0.097 0.000 1.262 259 M HN -0.108 nan 8.290 nan 0.000 0.570 260 P HA -0.108 nan 4.420 nan 0.000 0.238 260 P C 0.015 177.317 177.300 0.003 0.000 1.175 260 P CA 1.246 64.350 63.100 0.006 0.000 0.757 260 P CB 0.117 31.823 31.700 0.010 0.000 0.839 261 E N -1.655 118.529 120.200 -0.025 0.000 2.862 261 E HA 0.093 4.444 4.350 0.001 0.000 0.204 261 E C 1.468 178.018 176.600 -0.083 0.000 0.966 261 E CA -0.316 56.067 56.400 -0.028 0.000 1.257 261 E CB 0.239 29.926 29.700 -0.021 0.000 1.053 261 E HN 0.032 nan 8.360 nan 0.000 0.487 262 K N 0.437 120.735 120.400 -0.170 0.000 2.000 262 K HA -0.160 4.160 4.320 0.001 0.000 0.218 262 K C 0.190 176.542 176.600 -0.412 0.000 1.053 262 K CA 1.602 57.653 56.287 -0.393 0.000 0.946 262 K CB 0.015 32.104 32.500 -0.684 0.000 0.723 262 K HN 0.193 nan 8.250 nan 0.000 0.446 263 Y N -0.282 120.027 120.300 0.015 0.000 2.724 263 Y HA 0.225 4.775 4.550 0.001 0.000 0.370 263 Y C 0.871 176.769 175.900 -0.003 0.000 0.978 263 Y CA -0.611 57.493 58.100 0.007 0.000 1.443 263 Y CB 0.569 39.048 38.460 0.033 0.000 1.386 263 Y HN 0.108 nan 8.280 nan 0.000 0.557 264 M N 0.826 120.474 119.600 0.080 0.000 2.501 264 M HA 0.195 4.676 4.480 0.001 0.000 0.261 264 M C -0.700 175.618 176.300 0.029 0.000 1.129 264 M CA 0.783 56.118 55.300 0.059 0.000 1.126 264 M CB -0.036 32.588 32.600 0.040 0.000 1.359 264 M HN 0.192 nan 8.290 nan 0.000 0.471 265 N N 1.350 120.054 118.700 0.007 0.000 2.527 265 N HA 0.521 5.262 4.740 0.001 0.000 0.236 265 N C -1.613 173.864 175.510 -0.056 0.000 0.999 265 N CA -0.224 52.810 53.050 -0.026 0.000 0.935 265 N CB 1.155 39.624 38.487 -0.030 0.000 1.132 265 N HN 0.120 nan 8.380 nan 0.000 0.511 266 L N 2.081 123.228 121.223 -0.127 0.000 2.830 266 L HA 0.315 4.655 4.340 0.001 0.000 0.259 266 L C -1.363 175.216 176.870 -0.485 0.000 0.943 266 L CA -0.974 53.691 54.840 -0.292 0.000 0.997 266 L CB 1.283 43.170 42.059 -0.286 0.000 1.427 266 L HN 0.308 nan 8.230 nan 0.000 0.456 267 V N 1.531 121.169 119.914 -0.461 0.000 2.439 267 V HA 0.692 4.812 4.120 0.001 0.000 0.282 267 V C -0.217 175.480 176.094 -0.662 0.000 1.039 267 V CA -0.353 61.690 62.300 -0.429 0.000 0.913 267 V CB 1.095 32.782 31.823 -0.227 0.000 0.983 267 V HN 0.502 nan 8.190 nan 0.000 0.460 268 F N 3.793 123.487 119.950 -0.427 0.000 2.458 268 F HA 0.671 5.199 4.527 0.001 0.000 0.330 268 F C -1.798 173.752 175.800 -0.418 0.000 1.082 268 F CA -2.499 55.166 58.000 -0.558 0.000 0.995 268 F CB 1.233 39.810 39.000 -0.705 0.000 1.170 268 F HN 0.371 nan 8.300 nan 0.000 0.478 269 P HA -0.060 nan 4.420 nan 0.000 0.263 269 P C 0.351 177.557 177.300 -0.157 0.000 1.162 269 P CA 0.190 63.231 63.100 -0.099 0.000 0.758 269 P CB 0.454 32.129 31.700 -0.042 0.000 0.773 270 R N 2.464 122.888 120.500 -0.127 0.000 2.395 270 R HA -0.110 4.231 4.340 0.001 0.000 0.202 270 R C 1.001 177.247 176.300 -0.091 0.000 1.088 270 R CA 0.972 56.999 56.100 -0.121 0.000 1.090 270 R CB -0.218 30.036 30.300 -0.075 0.000 0.876 270 R HN 0.536 nan 8.270 nan 0.000 0.477 271 K N -0.345 120.005 120.400 -0.083 0.000 2.517 271 K HA 0.225 4.546 4.320 0.001 0.000 0.210 271 K C 0.134 176.724 176.600 -0.017 0.000 1.166 271 K CA -0.215 56.051 56.287 -0.035 0.000 1.030 271 K CB 0.785 33.273 32.500 -0.020 0.000 0.974 271 K HN -0.013 nan 8.250 nan 0.000 0.585 272 L N 2.127 123.315 121.223 -0.057 0.000 2.615 272 L HA -0.058 4.282 4.340 0.001 0.000 0.271 272 L C 0.635 177.555 176.870 0.083 0.000 1.183 272 L CA 0.671 55.504 54.840 -0.012 0.000 0.933 272 L CB 0.375 42.357 42.059 -0.128 0.000 1.199 272 L HN 0.558 nan 8.230 nan 0.000 0.487 273 C N 2.016 121.370 119.300 0.090 0.000 4.027 273 C HA 0.375 4.836 4.460 0.001 0.000 0.351 273 C C 0.755 175.780 174.990 0.057 0.000 1.634 273 C CA -0.746 58.329 59.018 0.095 0.000 1.897 273 C CB 0.008 27.786 27.740 0.064 0.000 2.949 273 C HN 0.795 nan 8.230 nan 0.000 0.684 274 R N 1.648 122.177 120.500 0.049 0.000 2.422 274 R HA 0.727 5.068 4.340 0.001 0.000 0.307 274 R C -1.384 174.930 176.300 0.024 0.000 1.004 274 R CA -0.059 56.051 56.100 0.017 0.000 0.882 274 R CB 1.414 31.713 30.300 -0.002 0.000 1.164 274 R HN 0.643 nan 8.270 nan 0.000 0.489 275 L N -0.853 120.374 121.223 0.008 0.000 2.505 275 L HA 0.910 5.250 4.340 0.001 0.000 0.259 275 L C -0.872 175.997 176.870 -0.003 0.000 0.952 275 L CA -0.662 54.196 54.840 0.029 0.000 0.840 275 L CB 2.313 44.413 42.059 0.069 0.000 1.358 275 L HN 0.416 nan 8.230 nan 0.000 0.409 276 G N 2.705 111.507 108.800 0.003 0.000 2.590 276 G HA2 0.692 4.653 3.960 0.001 0.000 0.310 276 G HA3 0.692 4.653 3.960 0.001 0.000 0.310 276 G C -1.387 173.576 174.900 0.105 0.000 1.347 276 G CA -0.744 44.378 45.100 0.036 0.000 0.963 276 G HN 0.675 nan 8.290 nan 0.000 0.494 277 L N 3.041 124.319 121.223 0.092 0.000 2.295 277 L HA 0.239 4.579 4.340 0.001 0.000 0.281 277 L C 1.421 178.319 176.870 0.046 0.000 1.018 277 L CA -0.680 54.247 54.840 0.144 0.000 0.841 277 L CB 1.365 43.493 42.059 0.114 0.000 1.218 277 L HN 0.587 nan 8.230 nan 0.000 0.424 278 S N 1.848 117.546 115.700 -0.004 0.000 2.548 278 S HA -0.255 4.216 4.470 0.001 0.000 0.252 278 S C 1.033 175.445 174.600 -0.313 0.000 1.076 278 S CA 1.826 59.854 58.200 -0.286 0.000 1.395 278 S CB -0.345 62.506 63.200 -0.582 0.000 1.230 278 S HN 0.587 nan 8.310 nan 0.000 0.418 279 Y N 1.606 121.939 120.300 0.056 0.000 2.471 279 Y HA 0.325 4.875 4.550 0.001 0.000 0.321 279 Y C 0.820 176.732 175.900 0.020 0.000 1.195 279 Y CA -0.506 57.621 58.100 0.045 0.000 1.272 279 Y CB -0.939 37.546 38.460 0.042 0.000 1.097 279 Y HN 0.313 nan 8.280 nan 0.000 0.507 280 M N 1.277 120.906 119.600 0.048 0.000 2.256 280 M HA 0.009 4.490 4.480 0.001 0.000 0.392 280 M C 0.605 176.908 176.300 0.006 0.000 1.406 280 M CA 1.034 56.332 55.300 -0.003 0.000 0.861 280 M CB 0.173 32.745 32.600 -0.046 0.000 1.977 280 M HN 0.444 nan 8.290 nan 0.000 0.492 281 G N 4.578 113.382 108.800 0.006 0.000 2.932 281 G HA2 0.641 4.601 3.960 0.001 0.000 0.283 281 G HA3 0.641 4.601 3.960 0.001 0.000 0.283 281 G C -2.622 172.275 174.900 -0.004 0.000 1.336 281 G CA -0.974 44.137 45.100 0.018 0.000 1.056 281 G HN 0.523 nan 8.290 nan 0.000 0.522 282 P HA -0.047 nan 4.420 nan 0.000 0.219 282 P C 1.218 178.530 177.300 0.021 0.000 1.150 282 P CA 0.747 63.855 63.100 0.014 0.000 0.814 282 P CB 0.296 32.015 31.700 0.032 0.000 0.787 283 N N 0.186 118.907 118.700 0.034 0.000 2.270 283 N HA -0.093 4.647 4.740 0.001 0.000 0.181 283 N C 1.391 176.924 175.510 0.038 0.000 1.016 283 N CA 1.023 54.100 53.050 0.047 0.000 0.870 283 N CB -0.322 38.205 38.487 0.066 0.000 0.979 283 N HN 0.391 nan 8.380 nan 0.000 0.431 284 E N 0.654 120.868 120.200 0.024 0.000 2.472 284 E HA -0.005 4.346 4.350 0.001 0.000 0.196 284 E C 1.756 178.297 176.600 -0.097 0.000 1.033 284 E CA -0.087 56.319 56.400 0.012 0.000 0.886 284 E CB -0.388 29.325 29.700 0.021 0.000 0.944 284 E HN 0.445 nan 8.360 nan 0.000 0.492 285 M N 1.556 121.071 119.600 -0.141 0.000 2.108 285 M HA -0.029 4.451 4.480 0.001 0.000 0.261 285 M C -0.951 174.987 176.300 -0.603 0.000 1.066 285 M CA 1.638 56.777 55.300 -0.268 0.000 1.107 285 M CB -1.273 31.218 32.600 -0.182 0.000 1.356 285 M HN -0.134 nan 8.290 nan 0.000 0.406 286 P HA -0.240 nan 4.420 nan 0.000 0.218 286 P C 1.773 178.547 177.300 -0.877 0.000 1.154 286 P CA 2.184 64.475 63.100 -1.349 0.000 0.872 286 P CB -0.913 30.570 31.700 -0.361 0.000 0.790 287 I N -3.558 116.807 120.570 -0.342 0.000 2.992 287 I HA -0.230 3.941 4.170 0.001 0.000 0.277 287 I C 1.262 177.347 176.117 -0.053 0.000 1.277 287 I CA 1.676 62.937 61.300 -0.065 0.000 1.429 287 I CB -0.770 37.293 38.000 0.105 0.000 1.104 287 I HN 0.016 nan 8.210 nan 0.000 0.498 288 L N -0.759 120.213 121.223 -0.418 0.000 2.408 288 L HA 0.062 4.403 4.340 0.001 0.000 0.215 288 L C 2.251 178.829 176.870 -0.488 0.000 1.081 288 L CA 0.169 54.644 54.840 -0.608 0.000 0.840 288 L CB -0.388 41.327 42.059 -0.573 0.000 1.002 288 L HN 0.067 nan 8.230 nan 0.000 0.468 289 F N 0.866 120.690 119.950 -0.211 0.000 2.063 289 F HA -0.189 4.339 4.527 0.001 0.000 0.298 289 F C 0.040 175.787 175.800 -0.089 0.000 1.109 289 F CA 1.137 59.051 58.000 -0.144 0.000 1.212 289 F CB -2.707 36.252 39.000 -0.069 0.000 0.973 289 F HN 0.089 nan 8.300 nan 0.000 0.480 290 P HA -0.241 nan 4.420 nan 0.000 0.220 290 P C 1.194 178.667 177.300 0.289 0.000 1.155 290 P CA 2.060 65.312 63.100 0.253 0.000 0.880 290 P CB -0.383 31.527 31.700 0.350 0.000 0.790 291 F N -5.357 114.621 119.950 0.047 0.000 2.698 291 F HA 0.704 5.232 4.527 0.001 0.000 0.304 291 F C 1.651 177.459 175.800 0.014 0.000 1.108 291 F CA -0.302 57.710 58.000 0.019 0.000 1.263 291 F CB -0.801 38.198 39.000 -0.002 0.000 1.013 291 F HN -0.232 nan 8.300 nan 0.000 0.532 292 A N 1.465 124.134 122.820 -0.251 0.000 1.948 292 A HA -0.076 4.245 4.320 0.001 0.000 0.220 292 A C 2.324 179.862 177.584 -0.077 0.000 1.177 292 A CA 1.767 53.672 52.037 -0.219 0.000 0.636 292 A CB -1.132 17.805 19.000 -0.106 0.000 0.815 292 A HN 0.586 nan 8.150 nan 0.000 0.449 293 A N -1.513 121.297 122.820 -0.018 0.000 2.259 293 A HA -0.061 4.260 4.320 0.001 0.000 0.212 293 A C 1.872 179.474 177.584 0.030 0.000 1.178 293 A CA 1.537 53.579 52.037 0.007 0.000 0.734 293 A CB -0.386 18.625 19.000 0.018 0.000 0.774 293 A HN 0.719 nan 8.150 nan 0.000 0.481 294 Q N -0.855 118.973 119.800 0.048 0.000 2.369 294 Q HA 0.187 4.528 4.340 0.001 0.000 0.254 294 Q C -0.175 175.869 176.000 0.073 0.000 0.858 294 Q CA -0.315 55.540 55.803 0.087 0.000 0.961 294 Q CB 0.374 29.217 28.738 0.175 0.000 1.119 294 Q HN 0.440 nan 8.270 nan 0.000 0.538 295 I N 3.041 123.632 120.570 0.034 0.000 2.996 295 I HA -0.134 4.037 4.170 0.001 0.000 0.285 295 I C 1.166 177.289 176.117 0.011 0.000 1.173 295 I CA 1.045 62.349 61.300 0.007 0.000 1.396 295 I CB -0.250 37.711 38.000 -0.066 0.000 1.470 295 I HN 0.299 nan 8.210 nan 0.000 0.586 296 R N 4.588 125.101 120.500 0.022 0.000 2.307 296 R HA 0.043 4.384 4.340 0.001 0.000 0.199 296 R C 0.406 176.710 176.300 0.007 0.000 1.000 296 R CA 0.475 56.585 56.100 0.016 0.000 1.023 296 R CB 0.364 30.675 30.300 0.018 0.000 0.908 296 R HN 0.577 nan 8.270 nan 0.000 0.473 297 K N 0.143 120.543 120.400 -0.000 0.000 2.579 297 K HA 0.198 4.518 4.320 0.001 0.000 0.257 297 K C -2.192 174.397 176.600 -0.018 0.000 0.950 297 K CA -0.522 55.759 56.287 -0.010 0.000 0.862 297 K CB 1.054 33.542 32.500 -0.019 0.000 1.317 297 K HN -0.010 nan 8.250 nan 0.000 0.436 298 L N 2.933 124.147 121.223 -0.016 0.000 2.401 298 L HA 0.530 4.870 4.340 0.001 0.000 0.266 298 L C -1.634 175.228 176.870 -0.013 0.000 0.991 298 L CA -0.563 54.264 54.840 -0.021 0.000 0.818 298 L CB 2.051 44.098 42.059 -0.020 0.000 1.321 298 L HN 0.798 nan 8.230 nan 0.000 0.413 299 D N 4.599 124.991 120.400 -0.014 0.000 2.412 299 D HA 0.237 4.877 4.640 0.001 0.000 0.276 299 D C 0.248 176.555 176.300 0.012 0.000 1.196 299 D CA -0.279 53.722 54.000 0.000 0.000 0.905 299 D CB 0.780 41.575 40.800 -0.008 0.000 1.081 299 D HN 0.447 nan 8.370 nan 0.000 0.502 300 L N 2.739 123.967 121.223 0.009 0.000 2.660 300 L HA 0.052 4.393 4.340 0.001 0.000 0.238 300 L C 2.035 178.888 176.870 -0.028 0.000 1.161 300 L CA -0.333 54.511 54.840 0.007 0.000 0.937 300 L CB -0.043 42.051 42.059 0.059 0.000 1.122 300 L HN 0.325 nan 8.230 nan 0.000 0.435 301 L N 0.075 121.232 121.223 -0.110 0.000 2.012 301 L HA -0.208 4.132 4.340 0.001 0.000 0.210 301 L C 1.675 178.236 176.870 -0.516 0.000 1.073 301 L CA 2.291 56.915 54.840 -0.359 0.000 0.748 301 L CB -0.595 41.136 42.059 -0.546 0.000 0.891 301 L HN 0.359 nan 8.230 nan 0.000 0.431 302 Y N -0.976 119.279 120.300 -0.076 0.000 2.555 302 Y HA 0.456 5.007 4.550 0.001 0.000 0.259 302 Y C 1.215 177.016 175.900 -0.165 0.000 1.179 302 Y CA -0.292 57.711 58.100 -0.162 0.000 1.230 302 Y CB -0.687 37.578 38.460 -0.326 0.000 1.146 302 Y HN 0.069 nan 8.280 nan 0.000 0.526 303 A N 0.928 123.741 122.820 -0.011 0.000 2.455 303 A HA 0.129 4.450 4.320 0.001 0.000 0.244 303 A C 1.019 178.620 177.584 0.029 0.000 1.099 303 A CA 0.308 52.334 52.037 -0.017 0.000 0.786 303 A CB 0.350 19.313 19.000 -0.062 0.000 1.051 303 A HN 0.464 nan 8.150 nan 0.000 0.508 304 L N -0.306 120.932 121.223 0.026 0.000 2.993 304 L HA 0.258 4.598 4.340 0.001 0.000 0.264 304 L C 0.347 177.239 176.870 0.038 0.000 1.154 304 L CA 0.365 55.246 54.840 0.068 0.000 0.972 304 L CB -0.649 41.473 42.059 0.106 0.000 1.373 304 L HN 0.769 nan 8.230 nan 0.000 0.564 305 L N 0.537 121.741 121.223 -0.032 0.000 2.485 305 L HA 0.238 4.578 4.340 0.001 0.000 0.275 305 L C 0.506 177.391 176.870 0.024 0.000 1.207 305 L CA -0.269 54.536 54.840 -0.059 0.000 0.855 305 L CB -0.014 41.939 42.059 -0.177 0.000 1.114 305 L HN -0.029 nan 8.230 nan 0.000 0.485 306 E N 1.288 121.529 120.200 0.069 0.000 2.391 306 E HA 0.001 4.352 4.350 0.001 0.000 0.255 306 E C 1.168 177.914 176.600 0.243 0.000 1.187 306 E CA 0.565 57.043 56.400 0.130 0.000 0.941 306 E CB 1.295 31.043 29.700 0.080 0.000 1.010 306 E HN 0.743 nan 8.360 nan 0.000 0.458 307 T N 0.459 115.128 114.554 0.192 0.000 2.759 307 T HA -0.225 4.125 4.350 0.001 0.000 0.269 307 T C 1.530 176.314 174.700 0.140 0.000 1.042 307 T CA 2.057 64.252 62.100 0.158 0.000 1.140 307 T CB -0.195 68.702 68.868 0.048 0.000 0.864 307 T HN 0.584 nan 8.240 nan 0.000 0.455 308 E N -0.102 120.158 120.200 0.100 0.000 2.204 308 E HA -0.161 4.190 4.350 0.001 0.000 0.195 308 E C 1.529 178.178 176.600 0.083 0.000 0.990 308 E CA 1.393 57.839 56.400 0.077 0.000 0.821 308 E CB -0.141 29.592 29.700 0.055 0.000 0.750 308 E HN 0.575 nan 8.360 nan 0.000 0.477 309 D N -0.431 120.024 120.400 0.091 0.000 2.249 309 D HA -0.083 4.558 4.640 0.001 0.000 0.205 309 D C 1.732 178.055 176.300 0.038 0.000 0.962 309 D CA 0.524 54.555 54.000 0.052 0.000 0.860 309 D CB -0.136 40.673 40.800 0.016 0.000 0.955 309 D HN 0.375 nan 8.370 nan 0.000 0.505 310 H N 0.091 119.177 119.070 0.028 0.000 2.353 310 H HA -0.071 4.486 4.556 0.001 0.000 0.300 310 H C 2.301 177.643 175.328 0.023 0.000 1.090 310 H CA 0.962 57.024 56.048 0.023 0.000 1.327 310 H CB -0.006 29.767 29.762 0.019 0.000 1.383 310 H HN 0.203 nan 8.280 nan 0.000 0.508 311 C N 0.582 119.974 119.300 0.154 0.000 2.432 311 C HA -0.108 4.353 4.460 0.001 0.000 0.277 311 C C 2.172 177.183 174.990 0.035 0.000 1.249 311 C CA 1.578 60.649 59.018 0.089 0.000 1.725 311 C CB -1.061 26.722 27.740 0.073 0.000 2.028 311 C HN 0.599 nan 8.230 nan 0.000 0.477 312 T N -1.065 113.506 114.554 0.028 0.000 3.624 312 T HA 0.349 4.699 4.350 0.001 0.000 0.231 312 T C 0.564 175.282 174.700 0.030 0.000 0.865 312 T CA 0.323 62.416 62.100 -0.012 0.000 0.926 312 T CB -0.229 68.637 68.868 -0.003 0.000 1.189 312 T HN 0.598 nan 8.240 nan 0.000 0.640 313 L N -0.892 120.343 121.223 0.021 0.000 2.304 313 L HA 0.175 4.516 4.340 0.001 0.000 0.247 313 L C 1.361 178.229 176.870 -0.003 0.000 1.110 313 L CA 0.039 54.913 54.840 0.056 0.000 1.249 313 L CB 0.215 42.300 42.059 0.043 0.000 2.495 313 L HN 0.123 nan 8.230 nan 0.000 0.543 314 I N 0.815 121.391 120.570 0.011 0.000 2.127 314 I HA -0.330 3.841 4.170 0.001 0.000 0.241 314 I C 2.277 178.368 176.117 -0.043 0.000 1.075 314 I CA 1.742 63.054 61.300 0.021 0.000 1.334 314 I CB -1.362 36.684 38.000 0.077 0.000 1.040 314 I HN 0.508 nan 8.210 nan 0.000 0.405 315 Q N 1.334 121.046 119.800 -0.147 0.000 2.268 315 Q HA -0.230 4.111 4.340 0.001 0.000 0.210 315 Q C 1.630 177.375 176.000 -0.423 0.000 0.988 315 Q CA 1.840 57.337 55.803 -0.509 0.000 0.883 315 Q CB 0.061 28.422 28.738 -0.628 0.000 0.911 315 Q HN 0.533 nan 8.270 nan 0.000 0.430 316 K N -1.327 118.937 120.400 -0.226 0.000 2.374 316 K HA 0.143 4.463 4.320 0.001 0.000 0.196 316 K C -0.098 176.447 176.600 -0.091 0.000 1.023 316 K CA -0.059 56.124 56.287 -0.173 0.000 1.103 316 K CB 0.820 33.224 32.500 -0.161 0.000 0.848 316 K HN 0.107 nan 8.250 nan 0.000 0.528 317 C N 2.949 122.212 119.300 -0.061 0.000 2.842 317 C HA 0.237 4.698 4.460 0.001 0.000 0.311 317 C C -1.303 173.695 174.990 0.012 0.000 1.312 317 C CA -1.503 57.500 59.018 -0.026 0.000 1.651 317 C CB -0.078 27.647 27.740 -0.024 0.000 1.826 317 C HN 0.255 nan 8.230 nan 0.000 0.491 318 P HA -0.140 nan 4.420 nan 0.000 0.218 318 P C 0.718 178.048 177.300 0.050 0.000 1.149 318 P CA 1.469 64.607 63.100 0.063 0.000 0.817 318 P CB 0.119 31.858 31.700 0.064 0.000 0.785 319 N N -0.199 118.521 118.700 0.033 0.000 2.313 319 N HA 0.049 4.789 4.740 0.001 0.000 0.207 319 N C 0.314 175.841 175.510 0.028 0.000 1.141 319 N CA -0.371 52.697 53.050 0.031 0.000 0.830 319 N CB 0.004 38.507 38.487 0.027 0.000 1.008 319 N HN 0.099 nan 8.380 nan 0.000 0.481 320 L N 2.233 123.474 121.223 0.030 0.000 2.462 320 L HA -0.000 4.340 4.340 0.001 0.000 0.272 320 L C 1.272 178.161 176.870 0.032 0.000 1.166 320 L CA 0.652 55.508 54.840 0.026 0.000 0.880 320 L CB 0.464 42.540 42.059 0.029 0.000 1.142 320 L HN 0.222 nan 8.230 nan 0.000 0.473 321 E N 3.556 123.771 120.200 0.026 0.000 2.485 321 E HA 0.235 4.585 4.350 0.001 0.000 0.213 321 E C -0.756 175.862 176.600 0.030 0.000 0.923 321 E CA -0.142 56.276 56.400 0.030 0.000 1.054 321 E CB 0.620 30.335 29.700 0.025 0.000 1.077 321 E HN 0.365 nan 8.360 nan 0.000 0.509 322 V N 1.767 121.693 119.914 0.020 0.000 2.841 322 V HA 0.509 4.630 4.120 0.001 0.000 0.310 322 V C -1.575 174.530 176.094 0.019 0.000 1.090 322 V CA -1.002 61.308 62.300 0.017 0.000 0.930 322 V CB 2.036 33.852 31.823 -0.012 0.000 1.014 322 V HN 0.297 nan 8.190 nan 0.000 0.425 323 L N 3.470 124.713 121.223 0.034 0.000 2.562 323 L HA 0.630 4.970 4.340 0.001 0.000 0.266 323 L C -0.900 175.999 176.870 0.047 0.000 0.949 323 L CA -0.122 54.740 54.840 0.038 0.000 0.879 323 L CB 2.204 44.294 42.059 0.052 0.000 1.278 323 L HN 0.751 nan 8.230 nan 0.000 0.404 324 E N 3.339 123.557 120.200 0.031 0.000 2.183 324 E HA 0.424 4.775 4.350 0.001 0.000 0.250 324 E C -0.637 175.973 176.600 0.017 0.000 0.901 324 E CA -0.377 56.040 56.400 0.028 0.000 0.741 324 E CB 1.366 31.071 29.700 0.009 0.000 1.182 324 E HN 0.697 nan 8.360 nan 0.000 0.425 325 T N 0.403 114.975 114.554 0.029 0.000 2.952 325 T HA 0.284 4.634 4.350 0.001 0.000 0.286 325 T C 0.771 175.461 174.700 -0.017 0.000 1.024 325 T CA -0.665 61.459 62.100 0.040 0.000 1.029 325 T CB 1.623 70.515 68.868 0.039 0.000 1.094 325 T HN 0.391 nan 8.240 nan 0.000 0.515 326 R N 0.887 121.379 120.500 -0.015 0.000 2.310 326 R HA 0.059 4.399 4.340 0.001 0.000 0.202 326 R C 1.159 177.408 176.300 -0.084 0.000 0.933 326 R CA 0.995 57.056 56.100 -0.065 0.000 1.054 326 R CB -0.291 29.982 30.300 -0.046 0.000 0.985 326 R HN 0.899 nan 8.270 nan 0.000 0.489 327 N N -1.365 117.259 118.700 -0.126 0.000 2.915 327 N HA -0.197 4.544 4.740 0.001 0.000 0.192 327 N C 0.804 176.221 175.510 -0.155 0.000 1.128 327 N CA 1.756 54.736 53.050 -0.118 0.000 1.079 327 N CB -1.891 36.563 38.487 -0.054 0.000 0.964 327 N HN 0.093 nan 8.380 nan 0.000 0.561 328 V N 0.350 120.165 119.914 -0.166 0.000 3.244 328 V HA -0.030 4.090 4.120 0.001 0.000 0.273 328 V C 2.600 178.478 176.094 -0.361 0.000 1.180 328 V CA 1.658 63.859 62.300 -0.165 0.000 1.182 328 V CB -1.337 30.459 31.823 -0.044 0.000 0.796 328 V HN 0.555 nan 8.190 nan 0.000 0.543 329 I N 1.406 121.657 120.570 -0.532 0.000 2.335 329 I HA 0.121 4.292 4.170 0.001 0.000 0.251 329 I C 1.556 177.552 176.117 -0.202 0.000 1.129 329 I CA 1.359 62.344 61.300 -0.525 0.000 1.402 329 I CB -0.627 37.193 38.000 -0.300 0.000 1.069 329 I HN 0.666 nan 8.210 nan 0.000 0.424 330 G N 0.626 109.345 108.800 -0.135 0.000 2.749 330 G HA2 -0.330 3.631 3.960 0.001 0.000 0.242 330 G HA3 -0.330 3.631 3.960 0.001 0.000 0.242 330 G C 0.226 175.108 174.900 -0.031 0.000 1.364 330 G CA 0.162 45.225 45.100 -0.060 0.000 0.888 330 G HN 0.385 nan 8.290 nan 0.000 0.566 331 D N 0.019 120.413 120.400 -0.011 0.000 2.123 331 D HA -0.044 4.596 4.640 0.001 0.000 0.200 331 D C 2.671 178.975 176.300 0.007 0.000 0.976 331 D CA 1.191 55.190 54.000 -0.000 0.000 0.831 331 D CB -0.098 40.704 40.800 0.003 0.000 0.974 331 D HN 0.488 nan 8.370 nan 0.000 0.469 332 R N 0.463 120.970 120.500 0.011 0.000 2.105 332 R HA -0.094 4.246 4.340 0.001 0.000 0.239 332 R C 2.378 178.699 176.300 0.035 0.000 1.135 332 R CA 1.251 57.366 56.100 0.025 0.000 0.967 332 R CB -0.513 29.805 30.300 0.031 0.000 0.861 332 R HN 0.146 nan 8.270 nan 0.000 0.442 333 G N 1.247 110.060 108.800 0.023 0.000 2.480 333 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 333 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 333 G C 1.380 176.302 174.900 0.037 0.000 1.200 333 G CA 0.763 45.881 45.100 0.030 0.000 0.782 333 G HN 0.157 nan 8.290 nan 0.000 0.554 334 L N 0.099 121.332 121.223 0.018 0.000 2.079 334 L HA -0.098 4.242 4.340 0.001 0.000 0.210 334 L C 2.839 179.721 176.870 0.021 0.000 1.081 334 L CA 1.477 56.330 54.840 0.021 0.000 0.752 334 L CB -0.434 41.633 42.059 0.014 0.000 0.896 334 L HN 0.282 nan 8.230 nan 0.000 0.433 335 E N -0.430 119.781 120.200 0.018 0.000 2.072 335 E HA -0.175 4.175 4.350 0.001 0.000 0.191 335 E C 2.270 178.886 176.600 0.028 0.000 0.985 335 E CA 1.312 57.717 56.400 0.008 0.000 0.801 335 E CB 0.021 29.725 29.700 0.008 0.000 0.750 335 E HN 0.255 nan 8.360 nan 0.000 0.452 336 V N 1.113 121.073 119.914 0.077 0.000 2.307 336 V HA -0.228 3.892 4.120 0.001 0.000 0.245 336 V C 2.275 178.474 176.094 0.175 0.000 1.045 336 V CA 1.278 63.679 62.300 0.167 0.000 1.024 336 V CB -0.427 31.501 31.823 0.176 0.000 0.651 336 V HN 0.272 nan 8.190 nan 0.000 0.449 337 L N 0.925 122.216 121.223 0.113 0.000 2.197 337 L HA -0.186 4.155 4.340 0.001 0.000 0.215 337 L C 2.262 179.172 176.870 0.066 0.000 1.095 337 L CA 2.330 57.228 54.840 0.098 0.000 0.764 337 L CB -0.778 41.321 42.059 0.068 0.000 0.897 337 L HN 0.267 nan 8.230 nan 0.000 0.436 338 A N -1.187 121.646 122.820 0.022 0.000 2.021 338 A HA -0.117 4.204 4.320 0.001 0.000 0.216 338 A C 2.097 179.622 177.584 -0.097 0.000 1.163 338 A CA 0.925 52.943 52.037 -0.033 0.000 0.676 338 A CB -0.314 18.658 19.000 -0.047 0.000 0.818 338 A HN 0.711 nan 8.150 nan 0.000 0.453 339 Q N -2.053 117.631 119.800 -0.194 0.000 2.204 339 Q HA -0.021 4.319 4.340 0.001 0.000 0.198 339 Q C 1.575 177.345 176.000 -0.384 0.000 0.946 339 Q CA 1.196 56.771 55.803 -0.381 0.000 0.859 339 Q CB -0.461 27.898 28.738 -0.631 0.000 0.946 339 Q HN 0.687 nan 8.270 nan 0.000 0.474 340 Y N 0.504 120.799 120.300 -0.007 0.000 2.436 340 Y HA 0.185 4.736 4.550 0.001 0.000 0.288 340 Y C 1.216 177.115 175.900 -0.001 0.000 1.112 340 Y CA -0.435 57.661 58.100 -0.006 0.000 1.220 340 Y CB 0.454 38.908 38.460 -0.009 0.000 1.073 340 Y HN 0.098 nan 8.280 nan 0.000 0.552 341 C N 2.866 122.257 119.300 0.151 0.000 2.700 341 C HA 0.181 4.641 4.460 0.001 0.000 0.529 341 C C 1.530 176.551 174.990 0.051 0.000 1.093 341 C CA -0.776 58.298 59.018 0.093 0.000 1.320 341 C CB -1.276 26.518 27.740 0.091 0.000 1.478 341 C HN 0.285 nan 8.230 nan 0.000 0.598 342 K N 1.431 121.854 120.400 0.038 0.000 2.459 342 K HA -0.007 4.314 4.320 0.001 0.000 0.193 342 K C 1.526 178.141 176.600 0.026 0.000 1.030 342 K CA 0.827 57.124 56.287 0.017 0.000 1.026 342 K CB 0.188 32.691 32.500 0.005 0.000 0.809 342 K HN 0.726 nan 8.250 nan 0.000 0.504 343 Q N 0.367 120.188 119.800 0.035 0.000 2.135 343 Q HA 0.111 4.452 4.340 0.001 0.000 0.222 343 Q C 0.301 176.326 176.000 0.042 0.000 0.808 343 Q CA -0.490 55.335 55.803 0.036 0.000 1.049 343 Q CB -0.585 28.172 28.738 0.032 0.000 1.168 343 Q HN -0.006 nan 8.270 nan 0.000 0.483 344 L N 2.975 124.226 121.223 0.047 0.000 2.540 344 L HA -0.013 4.328 4.340 0.001 0.000 0.276 344 L C 0.908 177.816 176.870 0.063 0.000 1.212 344 L CA 1.106 55.979 54.840 0.054 0.000 0.893 344 L CB 0.603 42.698 42.059 0.059 0.000 1.138 344 L HN 0.332 nan 8.230 nan 0.000 0.491 345 K N 3.557 123.997 120.400 0.067 0.000 2.481 345 K HA 0.313 4.634 4.320 0.001 0.000 0.210 345 K C -0.197 176.471 176.600 0.113 0.000 1.161 345 K CA -0.285 56.051 56.287 0.082 0.000 1.023 345 K CB 0.529 33.069 32.500 0.066 0.000 0.971 345 K HN 0.561 nan 8.250 nan 0.000 0.577 346 R N 1.240 121.804 120.500 0.107 0.000 2.532 346 R HA 0.458 4.799 4.340 0.001 0.000 0.297 346 R C -1.844 174.558 176.300 0.170 0.000 0.984 346 R CA -0.947 55.249 56.100 0.160 0.000 0.884 346 R CB 2.021 32.349 30.300 0.047 0.000 1.182 346 R HN 0.063 nan 8.270 nan 0.000 0.442 347 L N 1.938 123.315 121.223 0.256 0.000 2.410 347 L HA 0.577 4.917 4.340 0.001 0.000 0.270 347 L C -1.182 175.833 176.870 0.241 0.000 0.983 347 L CA -0.391 54.562 54.840 0.189 0.000 0.822 347 L CB 1.894 44.032 42.059 0.132 0.000 1.285 347 L HN 0.607 nan 8.230 nan 0.000 0.409 348 R N 5.175 125.791 120.500 0.193 0.000 2.621 348 R HA 0.644 4.985 4.340 0.001 0.000 0.284 348 R C -1.741 174.629 176.300 0.117 0.000 0.998 348 R CA -0.622 55.599 56.100 0.202 0.000 0.895 348 R CB 1.669 32.135 30.300 0.277 0.000 1.195 348 R HN 0.788 nan 8.270 nan 0.000 0.450 349 I N 4.657 125.294 120.570 0.111 0.000 2.495 349 I HA 0.151 4.322 4.170 0.001 0.000 0.277 349 I C -0.356 175.834 176.117 0.122 0.000 1.045 349 I CA -0.324 61.022 61.300 0.077 0.000 1.135 349 I CB 1.606 39.641 38.000 0.057 0.000 1.241 349 I HN 0.561 nan 8.210 nan 0.000 0.469 350 E N 7.096 127.307 120.200 0.018 0.000 2.173 350 E HA 0.344 4.694 4.350 0.001 0.000 0.249 350 E C -0.119 176.325 176.600 -0.260 0.000 0.923 350 E CA -0.818 55.488 56.400 -0.157 0.000 0.754 350 E CB 1.275 30.850 29.700 -0.208 0.000 1.177 350 E HN 0.476 nan 8.360 nan 0.000 0.430 351 R N 1.763 122.129 120.500 -0.224 0.000 2.905 351 R HA 0.089 4.430 4.340 0.001 0.000 0.273 351 R C 0.817 176.982 176.300 -0.226 0.000 1.033 351 R CA 1.437 57.431 56.100 -0.176 0.000 1.182 351 R CB 0.101 30.343 30.300 -0.096 0.000 1.097 351 R HN 0.882 nan 8.270 nan 0.000 0.504 352 G N 0.854 109.571 108.800 -0.138 0.000 2.225 352 G HA2 -0.344 3.617 3.960 0.001 0.000 0.267 352 G HA3 -0.344 3.617 3.960 0.001 0.000 0.267 352 G C 0.836 175.666 174.900 -0.116 0.000 1.024 352 G CA 0.822 45.856 45.100 -0.111 0.000 0.784 352 G HN 0.895 nan 8.290 nan 0.000 0.507 353 A N -1.080 121.660 122.820 -0.133 0.000 2.042 353 A HA 0.226 4.546 4.320 0.001 0.000 0.222 353 A C 1.240 178.824 177.584 0.001 0.000 1.167 353 A CA 2.416 54.386 52.037 -0.111 0.000 0.649 353 A CB -0.034 18.823 19.000 -0.239 0.000 0.809 353 A HN 1.021 nan 8.150 nan 0.000 0.457 354 D N -3.634 116.769 120.400 0.006 0.000 2.648 354 D HA 0.416 5.056 4.640 0.001 0.000 0.244 354 D C -0.268 176.039 176.300 0.011 0.000 1.244 354 D CA -0.032 53.983 54.000 0.025 0.000 0.772 354 D CB 0.659 41.500 40.800 0.068 0.000 1.379 354 D HN 0.250 nan 8.370 nan 0.000 0.428 355 E N -0.699 119.506 120.200 0.008 0.000 4.014 355 E HA -0.254 4.096 4.350 0.001 0.000 0.209 355 E C 0.087 176.685 176.600 -0.004 0.000 1.457 355 E CA 0.759 57.162 56.400 0.005 0.000 2.314 355 E CB -0.602 29.105 29.700 0.013 0.000 2.109 355 E HN 0.493 nan 8.360 nan 0.000 0.486 356 Q N -0.311 119.488 119.800 -0.002 0.000 2.471 356 Q HA 0.436 4.777 4.340 0.001 0.000 0.207 356 Q C 0.728 176.727 176.000 -0.002 0.000 0.889 356 Q CA 0.915 56.714 55.803 -0.006 0.000 0.726 356 Q CB -0.055 28.681 28.738 -0.003 0.000 2.132 356 Q HN 0.959 nan 8.270 nan 0.000 0.531 357 G N 0.607 109.409 108.800 0.003 0.000 2.730 357 G HA2 -0.237 3.723 3.960 0.001 0.000 0.686 357 G HA3 -0.237 3.723 3.960 0.001 0.000 0.686 357 G C 0.323 175.227 174.900 0.006 0.000 1.343 357 G CA 0.099 45.204 45.100 0.008 0.000 0.826 357 G HN 0.208 nan 8.290 nan 0.000 0.582 358 M N 0.392 119.998 119.600 0.010 0.000 2.252 358 M HA -0.093 4.387 4.480 0.001 0.000 0.257 358 M C 1.450 177.753 176.300 0.004 0.000 1.077 358 M CA 2.100 57.406 55.300 0.009 0.000 1.066 358 M CB -0.365 32.244 32.600 0.014 0.000 1.380 358 M HN 0.623 nan 8.290 nan 0.000 0.412 359 E N 1.537 121.737 120.200 0.001 0.000 1.939 359 E HA -0.017 4.333 4.350 0.001 0.000 0.259 359 E C -0.173 176.420 176.600 -0.011 0.000 1.259 359 E CA 0.083 56.478 56.400 -0.008 0.000 0.971 359 E CB -0.129 29.562 29.700 -0.016 0.000 1.055 359 E HN 0.398 nan 8.360 nan 0.000 0.420 360 D N 2.487 122.882 120.400 -0.007 0.000 3.625 360 D HA -0.015 4.625 4.640 0.001 0.000 0.181 360 D C -0.062 176.236 176.300 -0.004 0.000 1.109 360 D CA -0.544 53.453 54.000 -0.006 0.000 1.379 360 D CB -0.016 40.782 40.800 -0.003 0.000 1.015 360 D HN 0.293 nan 8.370 nan 0.000 0.231 361 E N 1.029 121.228 120.200 -0.002 0.000 2.026 361 E HA 0.168 4.518 4.350 0.001 0.000 0.253 361 E C -1.031 175.568 176.600 -0.001 0.000 1.056 361 E CA -0.015 56.384 56.400 -0.001 0.000 0.927 361 E CB -0.054 29.645 29.700 -0.002 0.000 1.172 361 E HN 0.136 nan 8.360 nan 0.000 0.445 362 E N 1.972 122.170 120.200 -0.003 0.000 2.481 362 E HA 0.202 4.552 4.350 0.001 0.000 0.301 362 E C 0.219 176.815 176.600 -0.007 0.000 0.948 362 E CA 0.055 56.453 56.400 -0.003 0.000 0.804 362 E CB 1.393 31.092 29.700 -0.002 0.000 1.265 362 E HN 0.566 nan 8.360 nan 0.000 0.406 363 G N 2.584 111.381 108.800 -0.005 0.000 2.412 363 G HA2 -0.424 3.536 3.960 0.001 0.000 0.252 363 G HA3 -0.424 3.536 3.960 0.001 0.000 0.252 363 G C 1.200 176.093 174.900 -0.012 0.000 1.038 363 G CA 0.811 45.905 45.100 -0.010 0.000 0.628 363 G HN 0.518 nan 8.290 nan 0.000 0.531 364 L N -0.165 121.052 121.223 -0.010 0.000 2.082 364 L HA -0.138 4.203 4.340 0.001 0.000 0.223 364 L C 1.433 178.304 176.870 0.001 0.000 1.086 364 L CA 2.548 57.384 54.840 -0.006 0.000 0.793 364 L CB -0.206 41.854 42.059 0.003 0.000 0.896 364 L HN 1.020 nan 8.230 nan 0.000 0.441 365 V N -4.939 114.979 119.914 0.006 0.000 4.275 365 V HA 0.165 4.285 4.120 0.001 0.000 0.316 365 V C -0.171 175.932 176.094 0.015 0.000 1.010 365 V CA -0.736 61.573 62.300 0.015 0.000 1.561 365 V CB 0.187 32.022 31.823 0.020 0.000 0.642 365 V HN 0.092 nan 8.190 nan 0.000 0.477 366 S N 2.583 118.290 115.700 0.012 0.000 2.549 366 S HA 0.158 4.629 4.470 0.001 0.000 0.286 366 S C 1.585 176.197 174.600 0.021 0.000 1.314 366 S CA -0.043 58.166 58.200 0.014 0.000 1.062 366 S CB 1.085 64.291 63.200 0.010 0.000 0.865 366 S HN 0.769 nan 8.310 nan 0.000 0.498 367 Q N 3.831 123.646 119.800 0.025 0.000 2.468 367 Q HA -0.231 4.109 4.340 0.001 0.000 0.216 367 Q C 1.887 177.901 176.000 0.025 0.000 0.991 367 Q CA 1.694 57.516 55.803 0.032 0.000 0.900 367 Q CB -0.701 28.056 28.738 0.032 0.000 0.930 367 Q HN 0.895 nan 8.270 nan 0.000 0.473 368 R N -0.070 120.440 120.500 0.017 0.000 2.127 368 R HA 0.053 4.393 4.340 0.001 0.000 0.217 368 R C 2.164 178.467 176.300 0.006 0.000 1.074 368 R CA 1.127 57.232 56.100 0.009 0.000 0.991 368 R CB -0.691 29.612 30.300 0.005 0.000 0.895 368 R HN 0.147 nan 8.270 nan 0.000 0.450 369 G N 2.333 111.139 108.800 0.011 0.000 2.552 369 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 369 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 369 G C 1.520 176.432 174.900 0.020 0.000 1.240 369 G CA 1.049 46.156 45.100 0.012 0.000 0.796 369 G HN 0.173 nan 8.290 nan 0.000 0.568 370 L N 0.049 121.292 121.223 0.034 0.000 2.043 370 L HA -0.124 4.216 4.340 0.001 0.000 0.212 370 L C 2.937 179.834 176.870 0.044 0.000 1.075 370 L CA 1.011 55.883 54.840 0.053 0.000 0.752 370 L CB -0.496 41.607 42.059 0.073 0.000 0.891 370 L HN 0.223 nan 8.230 nan 0.000 0.432 371 I N -0.368 120.220 120.570 0.029 0.000 2.353 371 I HA -0.193 3.978 4.170 0.001 0.000 0.248 371 I C 2.743 178.837 176.117 -0.038 0.000 1.119 371 I CA 0.938 62.247 61.300 0.015 0.000 1.417 371 I CB -0.277 37.736 38.000 0.022 0.000 1.078 371 I HN 0.162 nan 8.210 nan 0.000 0.421 372 A N 0.665 123.464 122.820 -0.035 0.000 1.898 372 A HA -0.179 4.141 4.320 0.001 0.000 0.216 372 A C 2.186 179.730 177.584 -0.067 0.000 1.181 372 A CA 1.254 53.252 52.037 -0.064 0.000 0.620 372 A CB -0.734 18.241 19.000 -0.040 0.000 0.819 372 A HN 0.355 nan 8.150 nan 0.000 0.442 373 L N 0.237 121.446 121.223 -0.024 0.000 1.970 373 L HA -0.118 4.222 4.340 0.001 0.000 0.212 373 L C 2.600 179.461 176.870 -0.016 0.000 1.071 373 L CA 2.482 57.320 54.840 -0.004 0.000 0.751 373 L CB -1.499 40.578 42.059 0.030 0.000 0.889 373 L HN 0.381 nan 8.230 nan 0.000 0.432 374 A N -0.709 122.112 122.820 0.001 0.000 1.870 374 A HA -0.373 3.947 4.320 0.001 0.000 0.219 374 A C 2.191 179.729 177.584 -0.077 0.000 1.224 374 A CA 2.576 54.627 52.037 0.024 0.000 0.650 374 A CB -1.058 17.988 19.000 0.076 0.000 0.836 374 A HN 0.722 nan 8.150 nan 0.000 0.454 375 Q N -1.243 118.363 119.800 -0.324 0.000 2.112 375 Q HA -0.170 4.171 4.340 0.001 0.000 0.206 375 Q C 2.213 178.022 176.000 -0.319 0.000 0.987 375 Q CA 1.483 56.877 55.803 -0.681 0.000 0.858 375 Q CB -0.467 27.868 28.738 -0.672 0.000 0.905 375 Q HN 0.742 nan 8.270 nan 0.000 0.420 376 G N -0.182 108.511 108.800 -0.177 0.000 2.395 376 G HA2 -0.148 3.813 3.960 0.001 0.000 0.214 376 G HA3 -0.148 3.813 3.960 0.001 0.000 0.214 376 G C 0.386 175.256 174.900 -0.051 0.000 1.177 376 G CA 0.487 45.524 45.100 -0.106 0.000 0.794 376 G HN 0.358 nan 8.290 nan 0.000 0.532 377 C N 1.415 120.704 119.300 -0.018 0.000 2.170 377 C HA 0.469 4.930 4.460 0.001 0.000 0.339 377 C C 1.174 176.187 174.990 0.038 0.000 1.056 377 C CA -0.665 58.364 59.018 0.017 0.000 1.535 377 C CB -0.214 27.548 27.740 0.036 0.000 1.785 377 C HN 0.488 nan 8.230 nan 0.000 0.440 378 Q N 0.185 120.007 119.800 0.038 0.000 2.360 378 Q HA 0.023 4.364 4.340 0.001 0.000 0.202 378 Q C 1.331 177.370 176.000 0.064 0.000 0.915 378 Q CA 0.608 56.449 55.803 0.063 0.000 0.943 378 Q CB 0.386 29.166 28.738 0.069 0.000 1.064 378 Q HN 0.758 nan 8.270 nan 0.000 0.511 379 E N 0.053 120.287 120.200 0.058 0.000 2.474 379 E HA 0.102 4.453 4.350 0.001 0.000 0.195 379 E C -0.054 176.590 176.600 0.072 0.000 1.039 379 E CA -0.163 56.272 56.400 0.058 0.000 0.881 379 E CB 0.560 30.290 29.700 0.049 0.000 0.970 379 E HN 0.292 nan 8.360 nan 0.000 0.486 380 L N 1.623 122.897 121.223 0.084 0.000 2.525 380 L HA -0.067 4.273 4.340 0.001 0.000 0.278 380 L C 1.196 178.139 176.870 0.122 0.000 1.218 380 L CA 0.887 55.791 54.840 0.107 0.000 0.878 380 L CB 0.442 42.571 42.059 0.115 0.000 1.127 380 L HN 0.123 nan 8.230 nan 0.000 0.492 381 E N 2.313 122.604 120.200 0.151 0.000 2.536 381 E HA 0.044 4.395 4.350 0.001 0.000 0.220 381 E C -1.058 175.688 176.600 0.242 0.000 0.876 381 E CA -0.062 56.437 56.400 0.165 0.000 1.190 381 E CB 1.092 30.875 29.700 0.137 0.000 1.191 381 E HN 0.461 nan 8.360 nan 0.000 0.557 382 Y N 1.368 121.732 120.300 0.107 0.000 2.396 382 Y HA 0.522 5.073 4.550 0.001 0.000 0.332 382 Y C -1.526 174.446 175.900 0.120 0.000 1.034 382 Y CA -0.899 57.271 58.100 0.117 0.000 1.057 382 Y CB 1.413 39.922 38.460 0.081 0.000 1.220 382 Y HN -0.189 nan 8.280 nan 0.000 0.440 383 M N 6.069 125.569 119.600 -0.165 0.000 2.213 383 M HA 0.810 5.290 4.480 0.001 0.000 0.286 383 M C -2.003 174.039 176.300 -0.429 0.000 1.008 383 M CA -0.561 54.685 55.300 -0.089 0.000 0.937 383 M CB 1.565 34.258 32.600 0.155 0.000 1.600 383 M HN 0.892 nan 8.290 nan 0.000 0.450 384 A N 4.486 127.083 122.820 -0.371 0.000 2.375 384 A HA 0.808 5.128 4.320 0.001 0.000 0.295 384 A C -1.907 175.581 177.584 -0.160 0.000 1.066 384 A CA -0.602 51.206 52.037 -0.381 0.000 0.722 384 A CB 1.834 20.645 19.000 -0.315 0.000 1.206 384 A HN 0.644 nan 8.150 nan 0.000 0.435 385 V N 2.996 122.761 119.914 -0.247 0.000 2.808 385 V HA 0.579 4.699 4.120 0.001 0.000 0.308 385 V C -1.986 174.011 176.094 -0.160 0.000 1.099 385 V CA -0.459 61.776 62.300 -0.109 0.000 0.920 385 V CB 2.160 33.930 31.823 -0.089 0.000 1.014 385 V HN 0.823 nan 8.190 nan 0.000 0.425 386 Y N 4.091 124.339 120.300 -0.087 0.000 2.328 386 Y HA 0.768 5.319 4.550 0.001 0.000 0.336 386 Y C -0.070 175.791 175.900 -0.064 0.000 0.960 386 Y CA -0.410 57.640 58.100 -0.083 0.000 1.134 386 Y CB 2.097 40.516 38.460 -0.068 0.000 1.166 386 Y HN 0.419 nan 8.280 nan 0.000 0.464 387 V N 1.931 121.884 119.914 0.064 0.000 3.049 387 V HA 0.209 4.330 4.120 0.001 0.000 0.309 387 V C 0.271 176.374 176.094 0.015 0.000 1.148 387 V CA -0.383 61.934 62.300 0.029 0.000 0.990 387 V CB 2.516 34.341 31.823 0.004 0.000 1.039 387 V HN 0.817 nan 8.190 nan 0.000 0.430 388 S N 1.273 116.980 115.700 0.011 0.000 2.395 388 S HA 0.090 4.561 4.470 0.001 0.000 0.225 388 S C 0.213 174.806 174.600 -0.011 0.000 1.027 388 S CA 0.888 59.089 58.200 0.002 0.000 0.965 388 S CB -0.033 63.168 63.200 0.001 0.000 0.812 388 S HN 0.800 nan 8.310 nan 0.000 0.482 389 D N -0.200 120.195 120.400 -0.009 0.000 2.736 389 D HA 0.334 4.974 4.640 0.001 0.000 0.223 389 D C -0.983 175.318 176.300 0.001 0.000 1.231 389 D CA -0.454 53.539 54.000 -0.012 0.000 0.818 389 D CB 1.965 42.761 40.800 -0.007 0.000 1.587 389 D HN 0.062 nan 8.370 nan 0.000 0.463 390 I N -1.134 119.438 120.570 0.004 0.000 2.982 390 I HA 0.611 4.782 4.170 0.001 0.000 0.312 390 I C 0.514 176.656 176.117 0.043 0.000 1.041 390 I CA -0.627 60.695 61.300 0.038 0.000 1.053 390 I CB 1.110 39.153 38.000 0.072 0.000 1.248 390 I HN 0.319 nan 8.210 nan 0.000 0.471 391 T N -1.659 112.929 114.554 0.058 0.000 2.942 391 T HA 0.337 4.688 4.350 0.001 0.000 0.289 391 T C 0.777 175.524 174.700 0.078 0.000 1.044 391 T CA -0.759 61.376 62.100 0.058 0.000 1.023 391 T CB 1.639 70.534 68.868 0.045 0.000 1.123 391 T HN 0.535 nan 8.240 nan 0.000 0.512 392 N N 0.799 119.544 118.700 0.076 0.000 2.192 392 N HA -0.150 4.591 4.740 0.001 0.000 0.188 392 N C 1.622 177.166 175.510 0.057 0.000 1.013 392 N CA 1.306 54.403 53.050 0.078 0.000 0.863 392 N CB -0.063 38.464 38.487 0.066 0.000 0.990 392 N HN 0.665 nan 8.380 nan 0.000 0.430 393 E N 0.631 120.861 120.200 0.049 0.000 2.047 393 E HA -0.046 4.305 4.350 0.001 0.000 0.191 393 E C 1.987 178.617 176.600 0.050 0.000 0.987 393 E CA 0.672 57.096 56.400 0.040 0.000 0.799 393 E CB -0.270 29.452 29.700 0.037 0.000 0.752 393 E HN 0.234 nan 8.360 nan 0.000 0.449 394 S N 1.567 117.304 115.700 0.062 0.000 2.359 394 S HA -0.108 4.362 4.470 0.001 0.000 0.224 394 S C 2.096 176.740 174.600 0.073 0.000 1.035 394 S CA 0.712 58.956 58.200 0.073 0.000 1.018 394 S CB -0.238 63.014 63.200 0.087 0.000 0.876 394 S HN 0.163 nan 8.310 nan 0.000 0.448 395 L N 1.514 122.787 121.223 0.083 0.000 1.990 395 L HA -0.187 4.154 4.340 0.001 0.000 0.213 395 L C 2.439 179.305 176.870 -0.008 0.000 1.072 395 L CA 1.890 56.766 54.840 0.060 0.000 0.755 395 L CB -1.314 40.820 42.059 0.124 0.000 0.889 395 L HN 0.440 nan 8.230 nan 0.000 0.432 396 E N -0.911 119.288 120.200 -0.002 0.000 2.204 396 E HA -0.183 4.167 4.350 0.001 0.000 0.195 396 E C 2.337 178.925 176.600 -0.019 0.000 0.990 396 E CA 1.223 57.602 56.400 -0.036 0.000 0.821 396 E CB 0.015 29.695 29.700 -0.033 0.000 0.750 396 E HN 0.301 nan 8.360 nan 0.000 0.477 397 S N 0.289 116.010 115.700 0.036 0.000 2.338 397 S HA -0.150 4.320 4.470 0.001 0.000 0.218 397 S C 1.889 176.557 174.600 0.113 0.000 1.032 397 S CA 0.782 59.051 58.200 0.116 0.000 0.999 397 S CB -0.115 63.172 63.200 0.144 0.000 0.905 397 S HN 0.076 nan 8.310 nan 0.000 0.439 398 I N 2.029 122.635 120.570 0.060 0.000 2.121 398 I HA -0.252 3.919 4.170 0.001 0.000 0.243 398 I C 2.481 178.575 176.117 -0.039 0.000 1.047 398 I CA 1.865 63.170 61.300 0.009 0.000 1.308 398 I CB -1.283 36.656 38.000 -0.101 0.000 1.015 398 I HN 0.435 nan 8.210 nan 0.000 0.410 399 G N -1.375 107.371 108.800 -0.091 0.000 2.421 399 G HA2 -0.280 3.680 3.960 0.001 0.000 0.216 399 G HA3 -0.280 3.680 3.960 0.001 0.000 0.216 399 G C 1.719 176.545 174.900 -0.123 0.000 1.171 399 G CA 1.543 46.568 45.100 -0.125 0.000 0.775 399 G HN 0.483 nan 8.290 nan 0.000 0.543 400 T N -2.391 112.077 114.554 -0.142 0.000 2.896 400 T HA 0.022 4.372 4.350 0.001 0.000 0.263 400 T C 2.079 176.583 174.700 -0.325 0.000 1.050 400 T CA 1.090 63.035 62.100 -0.259 0.000 1.140 400 T CB -0.314 68.354 68.868 -0.333 0.000 0.877 400 T HN 0.346 nan 8.240 nan 0.000 0.457 401 Y N 1.677 121.956 120.300 -0.035 0.000 2.190 401 Y HA 0.344 4.895 4.550 0.001 0.000 0.290 401 Y C 1.088 176.980 175.900 -0.012 0.000 1.115 401 Y CA -0.002 58.086 58.100 -0.020 0.000 1.107 401 Y CB 0.025 38.479 38.460 -0.011 0.000 1.033 401 Y HN 0.162 nan 8.280 nan 0.000 0.502 402 L N 0.811 122.130 121.223 0.160 0.000 2.387 402 L HA 0.390 4.731 4.340 0.001 0.000 0.267 402 L C -0.326 176.577 176.870 0.055 0.000 1.197 402 L CA -0.692 54.212 54.840 0.105 0.000 1.070 402 L CB -0.490 41.630 42.059 0.103 0.000 1.349 402 L HN -0.211 nan 8.230 nan 0.000 0.422 403 K N 2.357 122.780 120.400 0.039 0.000 2.170 403 K HA -0.009 4.312 4.320 0.001 0.000 0.241 403 K C 1.125 177.745 176.600 0.033 0.000 1.071 403 K CA 0.855 57.151 56.287 0.014 0.000 0.822 403 K CB -0.003 32.502 32.500 0.007 0.000 1.097 403 K HN 0.875 nan 8.250 nan 0.000 0.522 404 N N -0.894 117.823 118.700 0.029 0.000 2.686 404 N HA -0.269 4.471 4.740 0.001 0.000 0.249 404 N C -0.963 174.589 175.510 0.071 0.000 1.082 404 N CA 0.821 53.898 53.050 0.046 0.000 0.725 404 N CB -1.834 36.680 38.487 0.045 0.000 1.009 404 N HN 0.450 nan 8.380 nan 0.000 0.545 405 L N -0.528 120.741 121.223 0.077 0.000 2.416 405 L HA 0.070 4.411 4.340 0.001 0.000 0.272 405 L C 1.104 178.050 176.870 0.126 0.000 1.161 405 L CA -0.289 54.620 54.840 0.114 0.000 0.845 405 L CB 0.594 42.723 42.059 0.117 0.000 1.119 405 L HN 0.432 nan 8.230 nan 0.000 0.464 406 C N 1.087 120.482 119.300 0.158 0.000 2.865 406 C HA 0.189 4.650 4.460 0.001 0.000 0.280 406 C C 0.445 175.567 174.990 0.220 0.000 1.255 406 C CA -0.088 59.031 59.018 0.168 0.000 1.705 406 C CB -0.308 27.525 27.740 0.155 0.000 2.080 406 C HN 0.747 nan 8.230 nan 0.000 0.591 407 D N -0.038 120.503 120.400 0.236 0.000 2.613 407 D HA 0.311 4.951 4.640 0.001 0.000 0.230 407 D C -1.676 174.710 176.300 0.143 0.000 1.365 407 D CA -0.109 54.033 54.000 0.236 0.000 0.976 407 D CB 0.854 41.817 40.800 0.272 0.000 1.415 407 D HN 0.143 nan 8.370 nan 0.000 0.589 408 F N 3.838 123.852 119.950 0.106 0.000 2.518 408 F HA 0.616 5.143 4.527 0.001 0.000 0.323 408 F C -1.090 174.734 175.800 0.040 0.000 1.129 408 F CA -0.498 57.539 58.000 0.062 0.000 0.920 408 F CB 1.165 40.289 39.000 0.206 0.000 1.160 408 F HN 0.184 nan 8.300 nan 0.000 0.440 409 R N 6.585 126.594 120.500 -0.818 0.000 2.538 409 R HA 0.624 4.965 4.340 0.001 0.000 0.292 409 R C -2.011 173.783 176.300 -0.843 0.000 1.008 409 R CA -0.951 54.771 56.100 -0.631 0.000 0.896 409 R CB 2.266 32.366 30.300 -0.333 0.000 1.187 409 R HN 0.605 nan 8.270 nan 0.000 0.440 410 L N 4.092 124.918 121.223 -0.660 0.000 2.406 410 L HA 0.586 4.926 4.340 0.001 0.000 0.272 410 L C -1.553 175.044 176.870 -0.455 0.000 0.980 410 L CA -0.706 53.810 54.840 -0.540 0.000 0.831 410 L CB 2.076 43.923 42.059 -0.353 0.000 1.253 410 L HN 0.435 nan 8.230 nan 0.000 0.406 411 V N 5.869 125.490 119.914 -0.488 0.000 2.487 411 V HA 0.436 4.556 4.120 0.001 0.000 0.298 411 V C 0.240 176.208 176.094 -0.211 0.000 1.028 411 V CA -0.708 61.352 62.300 -0.399 0.000 0.860 411 V CB 1.945 33.318 31.823 -0.750 0.000 0.991 411 V HN 0.595 nan 8.190 nan 0.000 0.427 412 L N 5.475 126.641 121.223 -0.095 0.000 2.313 412 L HA 0.353 4.694 4.340 0.001 0.000 0.282 412 L C 0.986 177.862 176.870 0.010 0.000 1.092 412 L CA -0.220 54.588 54.840 -0.053 0.000 0.831 412 L CB 0.908 42.917 42.059 -0.083 0.000 1.159 412 L HN 0.647 nan 8.230 nan 0.000 0.442 413 L N 1.058 122.297 121.223 0.027 0.000 2.418 413 L HA 0.069 4.410 4.340 0.001 0.000 0.218 413 L C 0.850 177.728 176.870 0.012 0.000 1.125 413 L CA 0.400 55.270 54.840 0.049 0.000 0.835 413 L CB -0.128 41.968 42.059 0.063 0.000 0.953 413 L HN 0.631 nan 8.230 nan 0.000 0.454 414 D N 0.678 121.072 120.400 -0.010 0.000 2.336 414 D HA 0.034 4.675 4.640 0.001 0.000 0.249 414 D C 0.919 177.188 176.300 -0.052 0.000 1.213 414 D CA -0.063 53.921 54.000 -0.025 0.000 0.870 414 D CB 1.008 41.792 40.800 -0.026 0.000 1.076 414 D HN -0.094 nan 8.370 nan 0.000 0.483 415 R N 2.101 122.569 120.500 -0.054 0.000 2.275 415 R HA 0.025 4.366 4.340 0.001 0.000 0.199 415 R C -0.010 176.226 176.300 -0.107 0.000 0.989 415 R CA 0.239 56.283 56.100 -0.092 0.000 1.016 415 R CB 0.202 30.463 30.300 -0.065 0.000 0.918 415 R HN 0.512 nan 8.270 nan 0.000 0.473 416 E N 2.436 122.592 120.200 -0.073 0.000 2.257 416 E HA 0.011 4.362 4.350 0.001 0.000 0.278 416 E C -0.108 176.450 176.600 -0.070 0.000 1.049 416 E CA 0.093 56.455 56.400 -0.063 0.000 0.876 416 E CB 0.669 30.344 29.700 -0.041 0.000 1.035 416 E HN 0.114 nan 8.360 nan 0.000 0.419 417 E N 3.090 123.246 120.200 -0.073 0.000 2.376 417 E HA 0.035 4.386 4.350 0.001 0.000 0.266 417 E C -0.006 176.566 176.600 -0.047 0.000 1.009 417 E CA 0.042 56.400 56.400 -0.070 0.000 0.902 417 E CB 0.656 30.317 29.700 -0.065 0.000 0.972 417 E HN 0.074 nan 8.360 nan 0.000 0.439 418 R N 3.136 123.611 120.500 -0.042 0.000 2.233 418 R HA 0.162 4.503 4.340 0.001 0.000 0.334 418 R C 0.808 177.096 176.300 -0.020 0.000 1.037 418 R CA -0.529 55.555 56.100 -0.027 0.000 0.920 418 R CB 0.305 30.592 30.300 -0.022 0.000 1.137 418 R HN 0.513 nan 8.270 nan 0.000 0.492 419 I N 2.572 123.132 120.570 -0.017 0.000 2.439 419 I HA -0.140 4.030 4.170 0.001 0.000 0.251 419 I C 1.052 177.166 176.117 -0.005 0.000 1.139 419 I CA 1.539 62.832 61.300 -0.011 0.000 1.438 419 I CB 0.094 38.087 38.000 -0.011 0.000 1.085 419 I HN 0.520 nan 8.210 nan 0.000 0.427 420 T N -1.005 113.546 114.554 -0.005 0.000 3.419 420 T HA 0.308 4.659 4.350 0.001 0.000 0.228 420 T C -0.121 174.580 174.700 0.002 0.000 0.939 420 T CA -0.582 61.518 62.100 -0.000 0.000 0.992 420 T CB -0.533 68.335 68.868 -0.001 0.000 1.186 420 T HN 0.169 nan 8.240 nan 0.000 0.612 421 D N 1.328 121.730 120.400 0.003 0.000 2.837 421 D HA 0.386 5.026 4.640 0.001 0.000 0.220 421 D C -0.483 175.826 176.300 0.014 0.000 1.236 421 D CA -0.735 53.269 54.000 0.007 0.000 0.838 421 D CB 1.932 42.733 40.800 0.002 0.000 1.647 421 D HN 0.263 nan 8.370 nan 0.000 0.486 422 L N 1.197 122.433 121.223 0.023 0.000 2.436 422 L HA 0.574 4.915 4.340 0.001 0.000 0.265 422 L C -1.985 174.913 176.870 0.045 0.000 1.168 422 L CA -1.290 53.571 54.840 0.035 0.000 0.815 422 L CB -1.000 41.084 42.059 0.040 0.000 1.109 422 L HN 0.164 nan 8.230 nan 0.000 0.462 423 P HA 0.230 nan 4.420 nan 0.000 0.274 423 P C 0.250 177.620 177.300 0.116 0.000 1.260 423 P CA -0.328 62.821 63.100 0.082 0.000 0.793 423 P CB 0.580 32.330 31.700 0.082 0.000 1.048 424 L N -0.469 120.857 121.223 0.170 0.000 2.640 424 L HA 0.061 4.402 4.340 0.001 0.000 0.230 424 L C 1.192 178.207 176.870 0.242 0.000 1.123 424 L CA 0.156 55.133 54.840 0.228 0.000 0.900 424 L CB -0.498 41.766 42.059 0.343 0.000 1.146 424 L HN 0.195 nan 8.230 nan 0.000 0.484 425 D N 0.927 121.465 120.400 0.229 0.000 2.191 425 D HA -0.252 4.389 4.640 0.001 0.000 0.190 425 D C 1.670 178.170 176.300 0.334 0.000 1.007 425 D CA 1.491 55.674 54.000 0.305 0.000 0.865 425 D CB -0.214 40.736 40.800 0.250 0.000 0.929 425 D HN 0.305 nan 8.370 nan 0.000 0.447 426 N N 0.170 118.996 118.700 0.211 0.000 2.216 426 N HA -0.052 4.688 4.740 0.001 0.000 0.183 426 N C 1.995 177.510 175.510 0.008 0.000 1.017 426 N CA 1.187 54.284 53.050 0.079 0.000 0.861 426 N CB -0.432 38.096 38.487 0.068 0.000 0.986 426 N HN 0.291 nan 8.380 nan 0.000 0.428 427 G N 1.522 110.363 108.800 0.068 0.000 2.414 427 G HA2 -0.179 3.781 3.960 0.001 0.000 0.215 427 G HA3 -0.179 3.781 3.960 0.001 0.000 0.215 427 G C 1.759 176.671 174.900 0.020 0.000 1.188 427 G CA 1.433 46.568 45.100 0.058 0.000 0.783 427 G HN 0.258 nan 8.290 nan 0.000 0.537 428 V N -0.275 119.670 119.914 0.051 0.000 2.332 428 V HA -0.141 3.980 4.120 0.001 0.000 0.248 428 V C 2.589 178.586 176.094 -0.162 0.000 1.055 428 V CA 2.216 64.447 62.300 -0.114 0.000 1.038 428 V CB -0.843 30.819 31.823 -0.268 0.000 0.651 428 V HN 0.352 nan 8.190 nan 0.000 0.450 429 R N 0.880 121.307 120.500 -0.122 0.000 2.080 429 R HA -0.163 4.178 4.340 0.001 0.000 0.236 429 R C 2.488 178.565 176.300 -0.372 0.000 1.137 429 R CA 2.242 58.172 56.100 -0.284 0.000 0.943 429 R CB -0.461 29.524 30.300 -0.526 0.000 0.846 429 R HN 0.621 nan 8.270 nan 0.000 0.431 430 S N 0.993 116.526 115.700 -0.279 0.000 2.402 430 S HA -0.113 4.358 4.470 0.001 0.000 0.229 430 S C 1.809 176.265 174.600 -0.240 0.000 1.021 430 S CA 0.948 58.988 58.200 -0.266 0.000 0.974 430 S CB -0.226 62.861 63.200 -0.188 0.000 0.800 430 S HN 0.354 nan 8.310 nan 0.000 0.484 431 L N 1.511 122.605 121.223 -0.215 0.000 1.994 431 L HA -0.072 4.268 4.340 0.001 0.000 0.208 431 L C 1.972 178.690 176.870 -0.254 0.000 1.071 431 L CA 1.463 56.165 54.840 -0.231 0.000 0.745 431 L CB -0.284 41.623 42.059 -0.253 0.000 0.892 431 L HN 0.279 nan 8.230 nan 0.000 0.431 432 L N -0.549 120.502 121.223 -0.287 0.000 2.275 432 L HA -0.210 4.130 4.340 0.001 0.000 0.215 432 L C 2.346 179.087 176.870 -0.215 0.000 1.119 432 L CA 0.990 55.670 54.840 -0.267 0.000 0.790 432 L CB -0.330 41.578 42.059 -0.251 0.000 0.919 432 L HN 0.357 nan 8.230 nan 0.000 0.443 433 I N -0.696 119.696 120.570 -0.297 0.000 2.480 433 I HA -0.073 4.098 4.170 0.001 0.000 0.251 433 I C 2.479 178.483 176.117 -0.189 0.000 1.124 433 I CA 1.060 62.182 61.300 -0.297 0.000 1.444 433 I CB -0.424 37.298 38.000 -0.463 0.000 1.098 433 I HN 0.214 nan 8.210 nan 0.000 0.428 434 G N -0.054 108.637 108.800 -0.182 0.000 2.411 434 G HA2 -0.132 3.829 3.960 0.001 0.000 0.213 434 G HA3 -0.132 3.829 3.960 0.001 0.000 0.213 434 G C 0.771 175.610 174.900 -0.101 0.000 1.166 434 G CA 0.070 45.087 45.100 -0.138 0.000 0.802 434 G HN 0.363 nan 8.290 nan 0.000 0.533 435 C N 2.027 121.262 119.300 -0.108 0.000 2.518 435 C HA 0.345 4.805 4.460 0.001 0.000 0.456 435 C C 1.623 176.582 174.990 -0.051 0.000 1.016 435 C CA -0.587 58.389 59.018 -0.070 0.000 1.210 435 C CB -1.036 26.655 27.740 -0.083 0.000 1.542 435 C HN 0.423 nan 8.230 nan 0.000 0.545 436 K N 0.634 121.013 120.400 -0.034 0.000 2.432 436 K HA -0.024 4.297 4.320 0.001 0.000 0.196 436 K C 1.409 178.011 176.600 0.003 0.000 1.038 436 K CA 0.815 57.090 56.287 -0.020 0.000 0.986 436 K CB 0.184 32.674 32.500 -0.017 0.000 0.782 436 K HN 0.540 nan 8.250 nan 0.000 0.485 437 K N 0.706 121.116 120.400 0.016 0.000 2.493 437 K HA 0.114 4.435 4.320 0.001 0.000 0.207 437 K C -0.647 175.991 176.600 0.062 0.000 1.033 437 K CA -0.286 56.024 56.287 0.039 0.000 1.161 437 K CB 0.362 32.888 32.500 0.043 0.000 0.873 437 K HN -0.065 nan 8.250 nan 0.000 0.491 438 L N 1.135 122.391 121.223 0.055 0.000 2.319 438 L HA 0.141 4.481 4.340 0.001 0.000 0.280 438 L C 0.920 177.864 176.870 0.122 0.000 1.099 438 L CA 0.450 55.347 54.840 0.095 0.000 0.828 438 L CB 0.615 42.708 42.059 0.056 0.000 1.150 438 L HN 0.044 nan 8.230 nan 0.000 0.442 439 R N 3.079 123.685 120.500 0.177 0.000 2.250 439 R HA 0.288 4.629 4.340 0.001 0.000 0.194 439 R C -0.110 176.377 176.300 0.311 0.000 0.927 439 R CA 0.012 56.232 56.100 0.199 0.000 1.052 439 R CB 0.658 31.058 30.300 0.168 0.000 1.055 439 R HN 0.549 nan 8.270 nan 0.000 0.537 440 R N -0.079 120.657 120.500 0.393 0.000 2.686 440 R HA 0.363 4.704 4.340 0.001 0.000 0.283 440 R C -1.698 174.968 176.300 0.610 0.000 0.978 440 R CA -0.613 55.880 56.100 0.655 0.000 0.897 440 R CB 2.235 32.917 30.300 0.636 0.000 1.192 440 R HN -0.142 nan 8.270 nan 0.000 0.457 441 F N 1.405 121.520 119.950 0.275 0.000 2.630 441 F HA 0.640 5.168 4.527 0.001 0.000 0.325 441 F C -1.593 174.184 175.800 -0.038 0.000 1.184 441 F CA -0.514 57.579 58.000 0.155 0.000 1.011 441 F CB 1.671 40.742 39.000 0.118 0.000 1.268 441 F HN 0.649 nan 8.300 nan 0.000 0.480 442 A N 5.269 127.841 122.820 -0.412 0.000 2.330 442 A HA 0.786 5.106 4.320 0.001 0.000 0.327 442 A C -2.045 175.188 177.584 -0.585 0.000 1.155 442 A CA -0.426 51.324 52.037 -0.479 0.000 0.803 442 A CB 0.708 19.595 19.000 -0.190 0.000 1.208 442 A HN 0.679 nan 8.150 nan 0.000 0.477 443 F N 2.523 122.072 119.950 -0.668 0.000 2.824 443 F HA 0.345 4.872 4.527 0.001 0.000 0.375 443 F C -1.194 174.509 175.800 -0.162 0.000 1.190 443 F CA -0.664 57.078 58.000 -0.430 0.000 1.180 443 F CB 0.870 39.621 39.000 -0.414 0.000 1.477 443 F HN 0.597 nan 8.300 nan 0.000 0.542 444 Y N 6.039 126.131 120.300 -0.347 0.000 2.385 444 Y HA 0.652 5.202 4.550 0.001 0.000 0.341 444 Y C -0.863 174.897 175.900 -0.233 0.000 0.965 444 Y CA -0.392 57.578 58.100 -0.217 0.000 1.180 444 Y CB 0.530 38.870 38.460 -0.201 0.000 1.139 444 Y HN 0.406 nan 8.280 nan 0.000 0.502 445 L N 4.768 125.869 121.223 -0.203 0.000 2.305 445 L HA 0.665 5.006 4.340 0.001 0.000 0.261 445 L C -0.508 176.236 176.870 -0.210 0.000 1.100 445 L CA -1.641 53.089 54.840 -0.183 0.000 1.073 445 L CB 1.462 43.414 42.059 -0.179 0.000 1.656 445 L HN 0.457 nan 8.230 nan 0.000 0.536 446 R N -0.476 119.894 120.500 -0.217 0.000 2.856 446 R HA 0.375 4.716 4.340 0.001 0.000 0.258 446 R C 0.221 176.395 176.300 -0.211 0.000 1.066 446 R CA -0.728 55.160 56.100 -0.353 0.000 1.045 446 R CB 1.063 31.207 30.300 -0.258 0.000 1.178 446 R HN 0.350 nan 8.270 nan 0.000 0.499 447 Q N 0.863 120.539 119.800 -0.206 0.000 2.297 447 Q HA -0.086 4.255 4.340 0.001 0.000 0.208 447 Q C 1.706 177.679 176.000 -0.045 0.000 0.981 447 Q CA 2.410 58.177 55.803 -0.059 0.000 0.876 447 Q CB -0.718 28.003 28.738 -0.030 0.000 0.921 447 Q HN 0.939 nan 8.270 nan 0.000 0.446 448 G N -0.598 108.168 108.800 -0.057 0.000 2.459 448 G HA2 -0.268 3.693 3.960 0.001 0.000 0.217 448 G HA3 -0.268 3.693 3.960 0.001 0.000 0.217 448 G C 1.409 176.305 174.900 -0.006 0.000 1.183 448 G CA 0.691 45.773 45.100 -0.029 0.000 0.776 448 G HN 0.553 nan 8.290 nan 0.000 0.552 449 G N -0.338 108.455 108.800 -0.011 0.000 2.507 449 G HA2 0.034 3.995 3.960 0.001 0.000 0.221 449 G HA3 0.034 3.995 3.960 0.001 0.000 0.221 449 G C 0.441 175.395 174.900 0.091 0.000 1.119 449 G CA 1.010 46.124 45.100 0.024 0.000 0.751 449 G HN 0.538 nan 8.290 nan 0.000 0.574 450 L N 0.692 121.971 121.223 0.093 0.000 2.470 450 L HA 0.496 4.837 4.340 0.001 0.000 0.268 450 L C 0.298 177.212 176.870 0.074 0.000 0.964 450 L CA -0.503 54.415 54.840 0.130 0.000 0.839 450 L CB 2.110 44.293 42.059 0.206 0.000 1.276 450 L HN 0.132 nan 8.230 nan 0.000 0.403 451 T N -0.763 113.821 114.554 0.050 0.000 2.847 451 T HA 0.250 4.601 4.350 0.001 0.000 0.279 451 T C 0.685 175.390 174.700 0.008 0.000 0.984 451 T CA -0.326 61.786 62.100 0.020 0.000 0.988 451 T CB 0.755 69.623 68.868 -0.001 0.000 1.040 451 T HN 0.603 nan 8.240 nan 0.000 0.528 452 D N -0.050 120.357 120.400 0.011 0.000 2.228 452 D HA -0.101 4.539 4.640 0.001 0.000 0.203 452 D C 1.850 178.103 176.300 -0.079 0.000 0.988 452 D CA 0.683 54.684 54.000 0.002 0.000 0.864 452 D CB -0.239 40.568 40.800 0.013 0.000 0.928 452 D HN 0.433 nan 8.370 nan 0.000 0.469 453 L N 0.277 121.411 121.223 -0.147 0.000 2.056 453 L HA -0.070 4.271 4.340 0.001 0.000 0.207 453 L C 2.219 178.750 176.870 -0.566 0.000 1.078 453 L CA 1.649 56.279 54.840 -0.350 0.000 0.749 453 L CB -0.586 41.257 42.059 -0.359 0.000 0.901 453 L HN 0.104 nan 8.230 nan 0.000 0.433 454 G N -0.406 108.210 108.800 -0.307 0.000 2.394 454 G HA2 -0.223 3.738 3.960 0.001 0.000 0.214 454 G HA3 -0.223 3.738 3.960 0.001 0.000 0.214 454 G C 1.599 176.508 174.900 0.015 0.000 1.176 454 G CA 0.277 45.310 45.100 -0.112 0.000 0.786 454 G HN 0.274 nan 8.290 nan 0.000 0.533 455 L N 0.967 122.204 121.223 0.023 0.000 2.051 455 L HA -0.176 4.164 4.340 0.001 0.000 0.214 455 L C 3.050 179.991 176.870 0.117 0.000 1.076 455 L CA 1.919 56.797 54.840 0.062 0.000 0.758 455 L CB -0.282 41.806 42.059 0.047 0.000 0.890 455 L HN 0.431 nan 8.230 nan 0.000 0.433 456 S N -1.300 114.407 115.700 0.012 0.000 2.402 456 S HA -0.180 4.291 4.470 0.001 0.000 0.229 456 S C 1.874 176.530 174.600 0.094 0.000 1.021 456 S CA 0.729 58.941 58.200 0.021 0.000 0.974 456 S CB -0.292 62.867 63.200 -0.069 0.000 0.800 456 S HN 0.492 nan 8.310 nan 0.000 0.484 457 Y N 1.099 121.453 120.300 0.090 0.000 2.200 457 Y HA -0.046 4.505 4.550 0.001 0.000 0.290 457 Y C 2.398 178.377 175.900 0.131 0.000 1.137 457 Y CA 0.655 58.841 58.100 0.144 0.000 1.163 457 Y CB -0.135 38.428 38.460 0.171 0.000 0.988 457 Y HN 0.274 nan 8.280 nan 0.000 0.518 458 I N -0.147 120.571 120.570 0.248 0.000 2.163 458 I HA -0.252 3.919 4.170 0.001 0.000 0.243 458 I C 2.582 178.788 176.117 0.148 0.000 1.085 458 I CA 1.807 63.196 61.300 0.150 0.000 1.347 458 I CB -1.680 36.445 38.000 0.208 0.000 1.044 458 I HN 0.263 nan 8.210 nan 0.000 0.408 459 G N -0.243 108.680 108.800 0.204 0.000 2.422 459 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 459 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 459 G C 1.628 176.441 174.900 -0.146 0.000 1.140 459 G CA 0.340 45.414 45.100 -0.043 0.000 0.775 459 G HN 0.437 nan 8.290 nan 0.000 0.545 460 Q N -1.107 118.597 119.800 -0.159 0.000 2.331 460 Q HA 0.081 4.422 4.340 0.001 0.000 0.203 460 Q C 0.491 176.162 176.000 -0.548 0.000 0.944 460 Q CA 0.544 56.100 55.803 -0.413 0.000 0.892 460 Q CB 0.085 28.477 28.738 -0.576 0.000 0.983 460 Q HN 0.673 nan 8.270 nan 0.000 0.482 461 Y N -0.690 119.575 120.300 -0.058 0.000 2.698 461 Y HA 0.229 4.780 4.550 0.001 0.000 0.261 461 Y C -0.315 175.505 175.900 -0.132 0.000 1.104 461 Y CA -0.614 57.430 58.100 -0.095 0.000 1.145 461 Y CB 1.293 39.685 38.460 -0.114 0.000 1.191 461 Y HN 0.015 nan 8.280 nan 0.000 0.564 462 S N -1.798 113.890 115.700 -0.019 0.000 2.300 462 S HA 0.256 4.727 4.470 0.001 0.000 0.172 462 S C -2.524 172.056 174.600 -0.033 0.000 1.484 462 S CA -1.130 57.034 58.200 -0.061 0.000 1.265 462 S CB 0.569 63.697 63.200 -0.121 0.000 1.313 462 S HN -0.010 nan 8.310 nan 0.000 0.387 463 P HA -0.014 nan 4.420 nan 0.000 0.218 463 P C 0.374 177.678 177.300 0.007 0.000 1.149 463 P CA 1.193 64.284 63.100 -0.015 0.000 0.817 463 P CB -0.065 31.631 31.700 -0.007 0.000 0.785 464 N N -0.776 117.938 118.700 0.023 0.000 2.279 464 N HA 0.091 4.831 4.740 0.001 0.000 0.226 464 N C -0.404 175.154 175.510 0.081 0.000 1.126 464 N CA -0.060 53.019 53.050 0.049 0.000 0.846 464 N CB 0.512 39.030 38.487 0.051 0.000 1.050 464 N HN 0.028 nan 8.380 nan 0.000 0.502 465 V N 1.207 121.170 119.914 0.080 0.000 2.432 465 V HA 0.194 4.314 4.120 0.001 0.000 0.271 465 V C 1.306 177.503 176.094 0.173 0.000 1.046 465 V CA -0.144 62.239 62.300 0.138 0.000 0.945 465 V CB 1.647 33.541 31.823 0.118 0.000 0.992 465 V HN 0.030 nan 8.190 nan 0.000 0.471 466 R N 3.481 124.121 120.500 0.233 0.000 2.206 466 R HA 0.154 4.494 4.340 0.001 0.000 0.198 466 R C 0.166 176.672 176.300 0.343 0.000 0.986 466 R CA 0.258 56.504 56.100 0.242 0.000 1.029 466 R CB 0.548 30.973 30.300 0.210 0.000 0.966 466 R HN 0.800 nan 8.270 nan 0.000 0.487 467 W N 0.710 122.111 121.300 0.169 0.000 2.883 467 W HA 0.562 5.223 4.660 0.001 0.000 0.335 467 W C -2.058 174.605 176.519 0.240 0.000 1.083 467 W CA -0.973 56.484 57.345 0.186 0.000 1.233 467 W CB 0.878 30.420 29.460 0.137 0.000 1.412 467 W HN -0.205 nan 8.180 nan 0.000 0.490 468 M N 6.800 126.142 119.600 -0.430 0.000 2.267 468 M HA 0.279 4.760 4.480 0.001 0.000 0.289 468 M C -1.274 174.509 176.300 -0.861 0.000 1.043 468 M CA -1.009 53.930 55.300 -0.602 0.000 0.928 468 M CB 2.558 35.161 32.600 0.007 0.000 1.613 468 M HN 0.383 nan 8.290 nan 0.000 0.450 469 L N 5.087 125.627 121.223 -1.138 0.000 2.272 469 L HA 0.661 5.002 4.340 0.001 0.000 0.289 469 L C -1.814 174.888 176.870 -0.280 0.000 1.032 469 L CA -0.062 54.417 54.840 -0.600 0.000 0.810 469 L CB 0.760 42.502 42.059 -0.529 0.000 1.205 469 L HN 0.688 nan 8.230 nan 0.000 0.422 470 L N 5.770 126.911 121.223 -0.137 0.000 2.333 470 L HA 0.558 4.899 4.340 0.001 0.000 0.280 470 L C 1.053 177.841 176.870 -0.137 0.000 1.004 470 L CA -0.524 54.259 54.840 -0.096 0.000 0.820 470 L CB 1.677 43.675 42.059 -0.102 0.000 1.247 470 L HN 0.852 nan 8.230 nan 0.000 0.416 471 G N 1.896 110.597 108.800 -0.164 0.000 2.792 471 G HA2 -0.123 3.838 3.960 0.001 0.000 0.147 471 G HA3 -0.123 3.838 3.960 0.001 0.000 0.147 471 G C -0.549 174.074 174.900 -0.462 0.000 1.838 471 G CA 0.344 45.184 45.100 -0.434 0.000 0.980 471 G HN 0.483 nan 8.290 nan 0.000 0.436 472 Y N 0.819 120.837 120.300 -0.471 0.000 2.960 472 Y HA 0.429 4.979 4.550 0.001 0.000 0.343 472 Y C 0.571 176.325 175.900 -0.244 0.000 1.106 472 Y CA -1.033 56.848 58.100 -0.365 0.000 1.221 472 Y CB 0.614 38.879 38.460 -0.325 0.000 1.232 472 Y HN 0.302 nan 8.280 nan 0.000 0.577 473 V N -0.687 119.147 119.914 -0.133 0.000 2.837 473 V HA 1.021 5.142 4.120 0.001 0.000 0.310 473 V C 0.656 176.720 176.094 -0.050 0.000 1.059 473 V CA -0.359 61.924 62.300 -0.028 0.000 1.004 473 V CB 1.076 32.931 31.823 0.055 0.000 1.045 473 V HN 0.787 nan 8.190 nan 0.000 0.465 474 G N 2.367 111.209 108.800 0.070 0.000 2.855 474 G HA2 -0.142 3.819 3.960 0.001 0.000 0.352 474 G HA3 -0.142 3.819 3.960 0.001 0.000 0.352 474 G C -0.119 174.799 174.900 0.031 0.000 1.415 474 G CA 0.449 45.629 45.100 0.133 0.000 0.871 474 G HN 1.074 nan 8.290 nan 0.000 0.543 475 E N -0.865 119.382 120.200 0.079 0.000 2.535 475 E HA 0.335 4.686 4.350 0.001 0.000 0.216 475 E C 0.794 177.431 176.600 0.062 0.000 0.845 475 E CA 0.575 56.993 56.400 0.030 0.000 1.306 475 E CB 1.088 30.802 29.700 0.022 0.000 1.291 475 E HN 1.150 nan 8.360 nan 0.000 0.635 476 S N -0.353 115.437 115.700 0.150 0.000 2.625 476 S HA 0.186 4.656 4.470 0.001 0.000 0.271 476 S C -0.254 174.494 174.600 0.247 0.000 1.161 476 S CA -0.678 57.622 58.200 0.167 0.000 0.820 476 S CB 1.518 64.768 63.200 0.084 0.000 1.137 476 S HN -0.200 nan 8.310 nan 0.000 0.470 477 D N 1.092 121.608 120.400 0.193 0.000 2.239 477 D HA -0.123 4.518 4.640 0.001 0.000 0.202 477 D C 1.571 177.863 176.300 -0.013 0.000 0.993 477 D CA 1.512 55.569 54.000 0.094 0.000 0.874 477 D CB -0.112 40.722 40.800 0.056 0.000 0.922 477 D HN 0.655 nan 8.370 nan 0.000 0.464 478 E N 0.009 120.222 120.200 0.022 0.000 2.110 478 E HA -0.118 4.233 4.350 0.001 0.000 0.193 478 E C 2.210 178.796 176.600 -0.023 0.000 0.988 478 E CA 1.022 57.418 56.400 -0.007 0.000 0.804 478 E CB -0.248 29.455 29.700 0.005 0.000 0.745 478 E HN 0.362 nan 8.360 nan 0.000 0.458 479 G N 1.655 110.462 108.800 0.012 0.000 2.421 479 G HA2 -0.254 3.706 3.960 0.001 0.000 0.216 479 G HA3 -0.254 3.706 3.960 0.001 0.000 0.216 479 G C 1.592 176.431 174.900 -0.102 0.000 1.171 479 G CA 0.649 45.758 45.100 0.016 0.000 0.775 479 G HN 0.206 nan 8.290 nan 0.000 0.543 480 L N 0.230 121.216 121.223 -0.396 0.000 2.083 480 L HA 0.042 4.382 4.340 0.001 0.000 0.209 480 L C 2.555 179.335 176.870 -0.151 0.000 1.083 480 L CA 1.579 56.083 54.840 -0.560 0.000 0.752 480 L CB -0.318 41.032 42.059 -1.183 0.000 0.899 480 L HN 0.082 nan 8.230 nan 0.000 0.433 481 M N -0.720 118.805 119.600 -0.125 0.000 2.175 481 M HA -0.097 4.384 4.480 0.001 0.000 0.264 481 M C 2.097 178.377 176.300 -0.033 0.000 1.063 481 M CA 1.246 56.508 55.300 -0.064 0.000 1.119 481 M CB -1.221 31.343 32.600 -0.059 0.000 1.377 481 M HN 0.317 nan 8.290 nan 0.000 0.415 482 E N -0.674 119.518 120.200 -0.013 0.000 2.150 482 E HA -0.177 4.173 4.350 0.001 0.000 0.193 482 E C 1.935 178.538 176.600 0.005 0.000 0.985 482 E CA 1.079 57.472 56.400 -0.011 0.000 0.814 482 E CB -0.413 29.284 29.700 -0.007 0.000 0.752 482 E HN 0.528 nan 8.360 nan 0.000 0.466 483 F N 2.333 122.224 119.950 -0.098 0.000 2.187 483 F HA -0.136 4.392 4.527 0.001 0.000 0.295 483 F C 2.481 178.233 175.800 -0.079 0.000 1.091 483 F CA 1.603 59.555 58.000 -0.081 0.000 1.308 483 F CB -0.325 38.627 39.000 -0.081 0.000 1.030 483 F HN -0.080 nan 8.300 nan 0.000 0.487 484 S N 0.397 116.005 115.700 -0.153 0.000 2.500 484 S HA -0.144 4.327 4.470 0.001 0.000 0.239 484 S C 1.829 176.294 174.600 -0.225 0.000 0.989 484 S CA 0.728 58.786 58.200 -0.236 0.000 0.951 484 S CB -0.800 62.349 63.200 -0.084 0.000 0.759 484 S HN 0.541 nan 8.310 nan 0.000 0.523 485 R N 1.015 121.402 120.500 -0.187 0.000 2.236 485 R HA 0.206 4.547 4.340 0.001 0.000 0.208 485 R C 1.573 177.762 176.300 -0.186 0.000 1.036 485 R CA 0.672 56.680 56.100 -0.154 0.000 1.001 485 R CB -0.243 29.990 30.300 -0.112 0.000 0.896 485 R HN 0.548 nan 8.270 nan 0.000 0.464 486 G N -0.561 108.076 108.800 -0.271 0.000 2.945 486 G HA2 0.206 4.166 3.960 0.001 0.000 0.156 486 G HA3 0.206 4.166 3.960 0.001 0.000 0.156 486 G C -0.321 174.412 174.900 -0.279 0.000 1.375 486 G CA -0.160 44.784 45.100 -0.260 0.000 1.039 486 G HN 0.310 nan 8.290 nan 0.000 0.586 487 C N 0.574 119.722 119.300 -0.255 0.000 3.896 487 C HA -0.083 4.377 4.460 0.001 0.000 0.300 487 C C -0.925 173.991 174.990 -0.124 0.000 1.322 487 C CA -0.233 58.664 59.018 -0.203 0.000 2.130 487 C CB -2.029 25.508 27.740 -0.338 0.000 1.363 487 C HN 0.603 nan 8.230 nan 0.000 0.642 488 P HA -0.084 nan 4.420 nan 0.000 0.225 488 P C 0.669 177.962 177.300 -0.011 0.000 1.148 488 P CA 1.560 64.629 63.100 -0.051 0.000 0.779 488 P CB -0.003 31.671 31.700 -0.044 0.000 0.780 489 N N -1.314 117.392 118.700 0.010 0.000 2.177 489 N HA 0.143 4.883 4.740 0.001 0.000 0.218 489 N C -0.046 175.516 175.510 0.086 0.000 1.182 489 N CA -0.362 52.717 53.050 0.049 0.000 0.882 489 N CB 0.374 38.895 38.487 0.056 0.000 1.052 489 N HN 0.050 nan 8.380 nan 0.000 0.519 490 L N 2.503 123.772 121.223 0.076 0.000 2.638 490 L HA -0.007 4.334 4.340 0.001 0.000 0.273 490 L C 0.965 177.939 176.870 0.174 0.000 1.147 490 L CA 0.568 55.485 54.840 0.129 0.000 0.941 490 L CB 0.494 42.610 42.059 0.095 0.000 1.251 490 L HN 0.325 nan 8.230 nan 0.000 0.479 491 Q N 3.172 123.104 119.800 0.220 0.000 2.349 491 Q HA 0.050 4.391 4.340 0.001 0.000 0.209 491 Q C -0.055 176.147 176.000 0.336 0.000 0.920 491 Q CA 0.548 56.506 55.803 0.259 0.000 0.901 491 Q CB 0.495 29.373 28.738 0.234 0.000 1.021 491 Q HN 0.452 nan 8.270 nan 0.000 0.519 492 K N 1.126 121.741 120.400 0.358 0.000 2.413 492 K HA 0.416 4.737 4.320 0.001 0.000 0.257 492 K C -1.717 175.132 176.600 0.415 0.000 0.946 492 K CA -0.397 56.154 56.287 0.440 0.000 0.823 492 K CB 1.939 34.700 32.500 0.435 0.000 1.109 492 K HN -0.094 nan 8.250 nan 0.000 0.427 493 L N 2.920 124.404 121.223 0.434 0.000 2.372 493 L HA 0.406 4.746 4.340 0.001 0.000 0.274 493 L C -1.314 175.771 176.870 0.359 0.000 0.988 493 L CA -0.096 54.935 54.840 0.319 0.000 0.833 493 L CB 1.366 43.601 42.059 0.293 0.000 1.236 493 L HN 0.610 nan 8.230 nan 0.000 0.410 494 E N 6.137 126.500 120.200 0.273 0.000 2.165 494 E HA 0.534 4.885 4.350 0.001 0.000 0.266 494 E C -1.069 175.658 176.600 0.212 0.000 0.889 494 E CA -0.471 56.190 56.400 0.435 0.000 0.756 494 E CB 2.239 32.239 29.700 0.500 0.000 1.131 494 E HN 0.559 nan 8.360 nan 0.000 0.411 495 M N 2.698 122.389 119.600 0.153 0.000 2.259 495 M HA 0.389 4.870 4.480 0.001 0.000 0.304 495 M C -0.767 175.474 176.300 -0.098 0.000 1.019 495 M CA -0.455 54.841 55.300 -0.007 0.000 0.922 495 M CB 2.362 34.955 32.600 -0.012 0.000 1.600 495 M HN 0.291 nan 8.290 nan 0.000 0.433 496 R N 1.303 121.708 120.500 -0.159 0.000 2.686 496 R HA 0.619 4.960 4.340 0.001 0.000 0.283 496 R C 0.189 176.119 176.300 -0.618 0.000 0.978 496 R CA 0.315 56.256 56.100 -0.265 0.000 0.897 496 R CB 1.931 32.224 30.300 -0.012 0.000 1.192 496 R HN 0.919 nan 8.270 nan 0.000 0.457 497 G N 2.087 110.490 108.800 -0.661 0.000 2.212 497 G HA2 -0.244 3.717 3.960 0.001 0.000 0.255 497 G HA3 -0.244 3.717 3.960 0.001 0.000 0.255 497 G C -0.315 174.073 174.900 -0.853 0.000 1.062 497 G CA 0.150 44.612 45.100 -1.063 0.000 0.815 497 G HN 0.597 nan 8.290 nan 0.000 0.497 498 C N -0.961 117.986 119.300 -0.588 0.000 2.401 498 C HA 0.625 5.085 4.460 0.001 0.000 0.356 498 C C 2.219 176.864 174.990 -0.576 0.000 1.192 498 C CA -0.123 58.469 59.018 -0.709 0.000 2.028 498 C CB 1.110 28.290 27.740 -0.932 0.000 2.344 498 C HN 0.992 nan 8.230 nan 0.000 0.525 499 C N -1.523 117.362 119.300 -0.692 0.000 2.696 499 C HA 0.313 4.773 4.460 0.001 0.000 0.264 499 C C 0.935 175.831 174.990 -0.156 0.000 1.288 499 C CA -0.599 58.216 59.018 -0.337 0.000 1.717 499 C CB -2.195 25.405 27.740 -0.234 0.000 1.893 499 C HN 0.739 nan 8.230 nan 0.000 0.577 500 F N 3.700 123.634 119.950 -0.027 0.000 2.628 500 F HA 0.106 4.634 4.527 0.001 0.000 0.362 500 F C 1.435 177.258 175.800 0.039 0.000 1.106 500 F CA 0.528 58.525 58.000 -0.004 0.000 1.333 500 F CB 0.301 39.287 39.000 -0.024 0.000 0.996 500 F HN 0.381 nan 8.300 nan 0.000 0.608 501 S N 1.292 117.139 115.700 0.245 0.000 2.707 501 S HA 0.226 4.697 4.470 0.001 0.000 0.276 501 S C 0.715 175.428 174.600 0.188 0.000 1.179 501 S CA -0.806 57.498 58.200 0.175 0.000 0.992 501 S CB 1.450 64.717 63.200 0.111 0.000 1.030 501 S HN 0.678 nan 8.310 nan 0.000 0.554 502 E N 0.992 121.311 120.200 0.199 0.000 2.077 502 E HA -0.179 4.171 4.350 0.001 0.000 0.193 502 E C 2.273 178.913 176.600 0.066 0.000 0.989 502 E CA 1.091 57.577 56.400 0.143 0.000 0.800 502 E CB -0.266 29.534 29.700 0.167 0.000 0.746 502 E HN 0.675 nan 8.360 nan 0.000 0.452 503 R N 1.543 122.078 120.500 0.058 0.000 2.115 503 R HA 0.009 4.349 4.340 0.001 0.000 0.230 503 R C 2.023 178.331 176.300 0.014 0.000 1.111 503 R CA 1.401 57.519 56.100 0.030 0.000 0.976 503 R CB -0.547 29.768 30.300 0.025 0.000 0.870 503 R HN 0.142 nan 8.270 nan 0.000 0.445 504 A N 1.984 124.816 122.820 0.019 0.000 1.873 504 A HA 0.014 4.334 4.320 0.001 0.000 0.215 504 A C 2.456 180.016 177.584 -0.041 0.000 1.186 504 A CA 1.166 53.192 52.037 -0.019 0.000 0.616 504 A CB -0.422 18.569 19.000 -0.015 0.000 0.823 504 A HN 0.255 nan 8.150 nan 0.000 0.442 505 I N -0.014 120.549 120.570 -0.012 0.000 2.127 505 I HA -0.310 3.860 4.170 0.001 0.000 0.241 505 I C 2.923 179.032 176.117 -0.014 0.000 1.075 505 I CA 1.295 62.581 61.300 -0.023 0.000 1.334 505 I CB -0.393 37.586 38.000 -0.034 0.000 1.040 505 I HN 0.344 nan 8.210 nan 0.000 0.405 506 A N 0.414 123.231 122.820 -0.005 0.000 2.070 506 A HA -0.089 4.232 4.320 0.001 0.000 0.220 506 A C 2.403 179.974 177.584 -0.022 0.000 1.159 506 A CA 1.788 53.826 52.037 0.001 0.000 0.656 506 A CB -0.609 18.398 19.000 0.011 0.000 0.800 506 A HN 0.490 nan 8.150 nan 0.000 0.453 507 A N -0.478 122.325 122.820 -0.028 0.000 1.943 507 A HA 0.398 4.719 4.320 0.001 0.000 0.213 507 A C 2.443 179.997 177.584 -0.050 0.000 1.181 507 A CA 1.362 53.375 52.037 -0.039 0.000 0.653 507 A CB -0.885 18.094 19.000 -0.036 0.000 0.833 507 A HN 0.890 nan 8.150 nan 0.000 0.451 508 A N -0.035 122.756 122.820 -0.048 0.000 1.851 508 A HA -0.081 4.240 4.320 0.001 0.000 0.216 508 A C 2.193 179.754 177.584 -0.039 0.000 1.195 508 A CA 2.024 54.037 52.037 -0.039 0.000 0.622 508 A CB -1.218 17.768 19.000 -0.023 0.000 0.831 508 A HN 0.435 nan 8.150 nan 0.000 0.444 509 V N -0.202 119.695 119.914 -0.028 0.000 2.278 509 V HA -0.312 3.809 4.120 0.001 0.000 0.251 509 V C 2.731 178.738 176.094 -0.145 0.000 1.062 509 V CA 2.659 64.922 62.300 -0.062 0.000 1.038 509 V CB -1.488 30.315 31.823 -0.034 0.000 0.646 509 V HN 0.646 nan 8.190 nan 0.000 0.447 510 T N -0.744 113.733 114.554 -0.127 0.000 2.607 510 T HA -0.293 4.057 4.350 0.001 0.000 0.267 510 T C 2.029 176.667 174.700 -0.104 0.000 1.049 510 T CA 2.094 64.118 62.100 -0.127 0.000 1.162 510 T CB -0.312 68.504 68.868 -0.087 0.000 0.863 510 T HN 0.259 nan 8.240 nan 0.000 0.424 511 K N 0.564 120.913 120.400 -0.084 0.000 2.152 511 K HA 0.050 4.371 4.320 0.001 0.000 0.206 511 K C 0.396 176.944 176.600 -0.087 0.000 1.048 511 K CA 0.619 56.857 56.287 -0.081 0.000 0.933 511 K CB -0.605 31.847 32.500 -0.081 0.000 0.721 511 K HN 0.325 nan 8.250 nan 0.000 0.447 512 L N 1.590 122.761 121.223 -0.087 0.000 2.313 512 L HA 0.117 4.458 4.340 0.001 0.000 0.282 512 L C -1.515 175.323 176.870 -0.053 0.000 1.092 512 L CA -1.475 53.319 54.840 -0.077 0.000 0.831 512 L CB 0.858 42.886 42.059 -0.051 0.000 1.159 512 L HN 0.082 nan 8.230 nan 0.000 0.442 513 P HA -0.024 nan 4.420 nan 0.000 0.213 513 P C -0.106 177.206 177.300 0.020 0.000 1.170 513 P CA 0.684 63.773 63.100 -0.019 0.000 0.889 513 P CB 0.270 31.954 31.700 -0.026 0.000 0.782 514 S N 0.453 116.178 115.700 0.040 0.000 2.462 514 S HA 0.592 5.063 4.470 0.001 0.000 0.294 514 S C -0.329 174.345 174.600 0.122 0.000 1.144 514 S CA -0.353 57.902 58.200 0.092 0.000 1.088 514 S CB 0.662 63.916 63.200 0.090 0.000 1.009 514 S HN 0.104 nan 8.310 nan 0.000 0.484 515 L N 3.742 125.081 121.223 0.194 0.000 3.111 515 L HA 0.361 4.701 4.340 0.001 0.000 0.259 515 L C -0.115 176.990 176.870 0.391 0.000 0.946 515 L CA -0.193 54.797 54.840 0.250 0.000 1.119 515 L CB 0.854 43.012 42.059 0.165 0.000 1.698 515 L HN 0.719 nan 8.230 nan 0.000 0.540 516 R N 3.089 123.897 120.500 0.514 0.000 2.476 516 R HA 0.393 4.734 4.340 0.001 0.000 0.276 516 R C -0.808 175.930 176.300 0.731 0.000 0.941 516 R CA -0.114 56.410 56.100 0.707 0.000 1.088 516 R CB 0.481 31.132 30.300 0.584 0.000 1.216 516 R HN 0.457 nan 8.270 nan 0.000 0.533 517 Y N 0.769 121.358 120.300 0.482 0.000 2.323 517 Y HA 0.452 5.003 4.550 0.001 0.000 0.322 517 Y C -2.075 174.046 175.900 0.367 0.000 1.133 517 Y CA -1.466 56.857 58.100 0.372 0.000 1.093 517 Y CB 1.913 40.556 38.460 0.304 0.000 1.203 517 Y HN 0.078 nan 8.280 nan 0.000 0.427 518 L N 7.462 128.777 121.223 0.153 0.000 2.356 518 L HA 0.607 4.947 4.340 0.001 0.000 0.277 518 L C -1.999 174.910 176.870 0.065 0.000 0.996 518 L CA -0.429 54.535 54.840 0.208 0.000 0.822 518 L CB 1.255 43.463 42.059 0.250 0.000 1.256 518 L HN 0.715 nan 8.230 nan 0.000 0.413 519 W N 7.650 128.968 121.300 0.030 0.000 2.538 519 W HA 0.715 5.376 4.660 0.001 0.000 0.322 519 W C -2.365 174.166 176.519 0.019 0.000 1.028 519 W CA -0.854 56.496 57.345 0.008 0.000 1.228 519 W CB 1.579 31.114 29.460 0.125 0.000 1.356 519 W HN 0.357 nan 8.180 nan 0.000 0.452 520 V N 6.112 125.598 119.914 -0.712 0.000 2.531 520 V HA 0.287 4.408 4.120 0.001 0.000 0.301 520 V C -0.439 175.044 176.094 -1.018 0.000 1.034 520 V CA -0.593 61.252 62.300 -0.759 0.000 0.865 520 V CB 1.808 33.379 31.823 -0.419 0.000 0.995 520 V HN 0.581 nan 8.190 nan 0.000 0.424 521 Q N 3.149 122.380 119.800 -0.948 0.000 2.339 521 Q HA 0.605 4.946 4.340 0.001 0.000 0.268 521 Q C -0.150 175.644 176.000 -0.344 0.000 1.027 521 Q CA 0.021 55.377 55.803 -0.746 0.000 0.759 521 Q CB 1.696 29.875 28.738 -0.931 0.000 1.244 521 Q HN 1.207 nan 8.270 nan 0.000 0.464 522 G N 3.766 112.498 108.800 -0.112 0.000 3.380 522 G HA2 -0.098 3.862 3.960 0.001 0.000 0.685 522 G HA3 -0.098 3.862 3.960 0.001 0.000 0.685 522 G C -1.587 173.338 174.900 0.041 0.000 1.136 522 G CA -0.256 44.794 45.100 -0.085 0.000 1.011 522 G HN 0.757 nan 8.290 nan 0.000 0.471 523 Y N -0.658 119.553 120.300 -0.148 0.000 2.521 523 Y HA 0.741 5.292 4.550 0.001 0.000 0.328 523 Y C -0.252 175.609 175.900 -0.065 0.000 1.151 523 Y CA -1.955 56.086 58.100 -0.100 0.000 1.054 523 Y CB 1.049 39.468 38.460 -0.068 0.000 1.338 523 Y HN 0.636 nan 8.280 nan 0.000 0.453 524 R N 2.856 123.335 120.500 -0.035 0.000 2.474 524 R HA 0.501 4.841 4.340 0.001 0.000 0.339 524 R C 0.455 176.687 176.300 -0.113 0.000 1.033 524 R CA 0.640 56.685 56.100 -0.090 0.000 0.997 524 R CB -0.102 30.195 30.300 -0.006 0.000 0.963 524 R HN 0.956 nan 8.270 nan 0.000 0.438 525 A N 3.255 125.900 122.820 -0.291 0.000 2.262 525 A HA 0.318 4.638 4.320 0.001 0.000 0.275 525 A C -0.242 177.314 177.584 -0.047 0.000 1.402 525 A CA 0.016 51.877 52.037 -0.294 0.000 0.817 525 A CB 0.393 19.181 19.000 -0.355 0.000 1.271 525 A HN 0.688 nan 8.150 nan 0.000 0.520 526 S N -2.326 113.366 115.700 -0.012 0.000 2.607 526 S HA 0.525 4.996 4.470 0.001 0.000 0.273 526 S C -0.950 173.649 174.600 -0.002 0.000 1.148 526 S CA -0.519 57.685 58.200 0.007 0.000 0.833 526 S CB 1.418 64.642 63.200 0.039 0.000 1.130 526 S HN 0.634 nan 8.310 nan 0.000 0.470 527 M N 2.737 122.336 119.600 -0.003 0.000 2.077 527 M HA 0.372 4.853 4.480 0.001 0.000 0.348 527 M C -0.330 175.977 176.300 0.011 0.000 1.252 527 M CA 0.368 55.666 55.300 -0.002 0.000 1.096 527 M CB -0.532 32.063 32.600 -0.008 0.000 1.568 527 M HN 0.762 nan 8.290 nan 0.000 0.456 528 T N 3.770 118.336 114.554 0.020 0.000 2.286 528 T HA -0.090 4.260 4.350 0.001 0.000 0.529 528 T C 0.071 174.788 174.700 0.028 0.000 0.839 528 T CA 1.043 63.159 62.100 0.026 0.000 2.802 528 T CB -1.420 67.458 68.868 0.017 0.000 1.699 528 T HN 0.996 nan 8.240 nan 0.000 0.428 529 G N 2.106 110.931 108.800 0.042 0.000 2.470 529 G HA2 0.516 4.477 3.960 0.001 0.000 0.320 529 G HA3 0.516 4.477 3.960 0.001 0.000 0.320 529 G C 0.408 175.332 174.900 0.041 0.000 1.245 529 G CA -0.698 44.427 45.100 0.043 0.000 0.935 529 G HN 0.488 nan 8.290 nan 0.000 0.476 530 Q N 1.849 121.667 119.800 0.030 0.000 2.291 530 Q HA 0.042 4.383 4.340 0.001 0.000 0.211 530 Q C 0.390 176.407 176.000 0.028 0.000 0.925 530 Q CA 0.233 56.052 55.803 0.025 0.000 0.949 530 Q CB 0.632 29.381 28.738 0.018 0.000 1.015 530 Q HN 0.728 nan 8.270 nan 0.000 0.477 531 D N 0.109 120.532 120.400 0.038 0.000 2.162 531 D HA -0.029 4.612 4.640 0.001 0.000 0.205 531 D C 1.668 177.989 176.300 0.036 0.000 0.964 531 D CA 0.430 54.453 54.000 0.038 0.000 0.847 531 D CB 0.259 41.089 40.800 0.051 0.000 0.988 531 D HN 0.149 nan 8.370 nan 0.000 0.480 532 L N 0.364 121.611 121.223 0.041 0.000 2.191 532 L HA -0.138 4.203 4.340 0.001 0.000 0.212 532 L C 1.994 178.885 176.870 0.034 0.000 1.103 532 L CA 0.475 55.332 54.840 0.029 0.000 0.769 532 L CB -0.207 41.861 42.059 0.016 0.000 0.908 532 L HN 0.214 nan 8.230 nan 0.000 0.438 533 M N -0.103 119.515 119.600 0.030 0.000 2.267 533 M HA -0.203 4.278 4.480 0.001 0.000 0.263 533 M C 1.782 178.099 176.300 0.028 0.000 1.063 533 M CA 1.404 56.722 55.300 0.030 0.000 1.090 533 M CB -0.792 31.820 32.600 0.021 0.000 1.392 533 M HN 0.433 nan 8.290 nan 0.000 0.422 534 Q N -0.991 118.821 119.800 0.020 0.000 2.319 534 Q HA 0.004 4.344 4.340 0.001 0.000 0.217 534 Q C 1.195 177.196 176.000 0.001 0.000 0.924 534 Q CA 0.394 56.202 55.803 0.009 0.000 0.964 534 Q CB -0.445 28.295 28.738 0.003 0.000 1.025 534 Q HN 0.571 nan 8.270 nan 0.000 0.465 535 M N -0.909 118.703 119.600 0.019 0.000 2.151 535 M HA 0.364 4.844 4.480 0.001 0.000 0.382 535 M C -0.486 175.847 176.300 0.055 0.000 0.861 535 M CA -0.061 55.246 55.300 0.012 0.000 1.088 535 M CB 1.030 33.673 32.600 0.072 0.000 2.060 535 M HN 0.211 nan 8.290 nan 0.000 0.695 536 A N 2.269 125.136 122.820 0.078 0.000 2.511 536 A HA 0.528 4.849 4.320 0.001 0.000 0.242 536 A C -0.296 177.324 177.584 0.060 0.000 1.069 536 A CA 0.358 52.458 52.037 0.104 0.000 0.763 536 A CB 0.160 19.197 19.000 0.062 0.000 1.001 536 A HN 0.690 nan 8.150 nan 0.000 0.498 537 R N 1.913 122.476 120.500 0.104 0.000 2.764 537 R HA 0.426 4.766 4.340 0.001 0.000 0.270 537 R C -2.123 174.268 176.300 0.152 0.000 1.014 537 R CA -1.492 54.666 56.100 0.096 0.000 0.904 537 R CB 0.775 31.117 30.300 0.070 0.000 1.236 537 R HN 0.414 nan 8.270 nan 0.000 0.466 538 P HA -0.194 nan 4.420 nan 0.000 0.208 538 P C 0.233 177.545 177.300 0.019 0.000 1.180 538 P CA 1.589 64.696 63.100 0.011 0.000 0.935 538 P CB 0.038 31.770 31.700 0.054 0.000 0.785 539 Y N -3.348 117.160 120.300 0.347 0.000 2.495 539 Y HA 0.141 4.692 4.550 0.001 0.000 0.293 539 Y C 0.768 176.938 175.900 0.450 0.000 1.186 539 Y CA -0.619 57.709 58.100 0.379 0.000 1.266 539 Y CB -0.626 38.053 38.460 0.364 0.000 1.101 539 Y HN 0.125 nan 8.280 nan 0.000 0.517 540 W N 2.528 123.911 121.300 0.139 0.000 2.358 540 W HA 0.190 4.851 4.660 0.001 0.000 0.307 540 W C -0.881 175.519 176.519 -0.198 0.000 1.203 540 W CA -0.587 56.664 57.345 -0.157 0.000 1.279 540 W CB 0.561 29.889 29.460 -0.219 0.000 1.264 540 W HN 0.005 nan 8.180 nan 0.000 0.474 541 N N 5.653 123.973 118.700 -0.632 0.000 2.422 541 N HA 0.201 4.941 4.740 0.001 0.000 0.266 541 N C -0.660 174.301 175.510 -0.916 0.000 1.007 541 N CA -0.318 52.290 53.050 -0.737 0.000 0.941 541 N CB 1.203 39.057 38.487 -1.055 0.000 1.115 541 N HN 0.381 nan 8.380 nan 0.000 0.492 542 I N -0.126 120.127 120.570 -0.528 0.000 2.362 542 I HA 0.459 4.630 4.170 0.001 0.000 0.289 542 I C -0.395 175.590 176.117 -0.220 0.000 0.994 542 I CA -0.392 60.662 61.300 -0.411 0.000 1.158 542 I CB 0.953 38.796 38.000 -0.261 0.000 1.315 542 I HN 0.354 nan 8.210 nan 0.000 0.451 543 E N 6.798 126.915 120.200 -0.138 0.000 2.221 543 E HA 0.685 5.036 4.350 0.001 0.000 0.268 543 E C -1.319 175.294 176.600 0.021 0.000 0.933 543 E CA -0.963 55.427 56.400 -0.016 0.000 0.809 543 E CB 2.464 32.221 29.700 0.096 0.000 1.190 543 E HN 0.581 nan 8.360 nan 0.000 0.406 544 L N 2.544 123.794 121.223 0.046 0.000 2.376 544 L HA 0.468 4.809 4.340 0.001 0.000 0.275 544 L C -0.672 176.251 176.870 0.088 0.000 0.987 544 L CA -0.607 54.273 54.840 0.067 0.000 0.828 544 L CB 1.431 43.527 42.059 0.061 0.000 1.249 544 L HN 0.435 nan 8.230 nan 0.000 0.409 545 I N 4.972 125.600 120.570 0.097 0.000 2.276 545 I HA 0.245 4.416 4.170 0.001 0.000 0.290 545 I C -2.014 174.129 176.117 0.043 0.000 1.109 545 I CA -1.624 59.695 61.300 0.032 0.000 1.229 545 I CB 0.568 38.495 38.000 -0.122 0.000 1.452 545 I HN 0.282 nan 8.210 nan 0.000 0.497 546 P HA 0.026 nan 4.420 nan 0.000 0.271 546 P C -0.264 177.071 177.300 0.058 0.000 1.238 546 P CA -0.128 63.010 63.100 0.063 0.000 0.794 546 P CB 0.407 32.133 31.700 0.043 0.000 0.959 547 S N 1.589 117.318 115.700 0.049 0.000 2.546 547 S HA 0.164 4.635 4.470 0.001 0.000 0.290 547 S C 0.390 175.015 174.600 0.043 0.000 1.290 547 S CA 0.132 58.360 58.200 0.046 0.000 1.069 547 S CB -0.310 62.897 63.200 0.012 0.000 0.846 547 S HN 0.312 nan 8.310 nan 0.000 0.495 566 A N 1.124 124.004 122.820 0.101 0.000 2.483 566 A HA 0.417 4.738 4.320 0.001 0.000 0.238 566 A C -0.139 177.653 177.584 0.346 0.000 1.070 566 A CA 0.259 52.440 52.037 0.239 0.000 0.770 566 A CB -0.207 18.907 19.000 0.190 0.000 1.008 566 A HN 0.587 nan 8.150 nan 0.000 0.497 567 H N 0.031 119.117 119.070 0.028 0.000 2.616 567 H HA 0.601 5.158 4.556 0.001 0.000 0.353 567 H C -0.975 174.271 175.328 -0.137 0.000 1.170 567 H CA -0.745 55.188 56.048 -0.191 0.000 1.212 567 H CB 1.707 31.345 29.762 -0.206 0.000 1.653 567 H HN 0.507 nan 8.280 nan 0.000 0.537 568 I N 2.729 123.181 120.570 -0.196 0.000 2.436 568 I HA 0.129 4.300 4.170 0.001 0.000 0.289 568 I C -1.184 174.857 176.117 -0.126 0.000 1.010 568 I CA -0.703 60.480 61.300 -0.195 0.000 1.098 568 I CB 2.105 39.869 38.000 -0.394 0.000 1.266 568 I HN 0.156 nan 8.210 nan 0.000 0.434 569 L N 7.087 128.300 121.223 -0.017 0.000 2.376 569 L HA 0.866 5.207 4.340 0.001 0.000 0.275 569 L C -0.671 176.119 176.870 -0.134 0.000 0.987 569 L CA -0.059 54.786 54.840 0.008 0.000 0.828 569 L CB 1.433 43.612 42.059 0.200 0.000 1.249 569 L HN 0.672 nan 8.230 nan 0.000 0.409 570 A N 4.410 127.041 122.820 -0.316 0.000 2.380 570 A HA 0.929 5.250 4.320 0.001 0.000 0.315 570 A C -1.761 175.254 177.584 -0.947 0.000 1.101 570 A CA -0.369 51.176 52.037 -0.819 0.000 0.771 570 A CB 1.260 19.715 19.000 -0.908 0.000 1.287 570 A HN 0.955 nan 8.150 nan 0.000 0.436 571 Y N -2.166 117.315 120.300 -1.365 0.000 2.620 571 Y HA 0.590 5.141 4.550 0.001 0.000 0.331 571 Y C -1.434 174.227 175.900 -0.399 0.000 1.173 571 Y CA -1.505 56.150 58.100 -0.741 0.000 1.076 571 Y CB 0.300 38.669 38.460 -0.152 0.000 1.336 571 Y HN 0.605 nan 8.280 nan 0.000 0.459 572 Y N 1.792 122.348 120.300 0.426 0.000 2.346 572 Y HA 0.483 5.033 4.550 0.001 0.000 0.330 572 Y C 0.731 176.902 175.900 0.451 0.000 1.178 572 Y CA 0.850 59.245 58.100 0.491 0.000 1.331 572 Y CB 1.469 40.226 38.460 0.495 0.000 1.253 572 Y HN 0.746 nan 8.280 nan 0.000 0.529 573 S N 3.170 119.222 115.700 0.587 0.000 2.543 573 S HA 0.314 4.785 4.470 0.001 0.000 0.273 573 S C -0.486 174.377 174.600 0.439 0.000 1.152 573 S CA -0.779 57.714 58.200 0.489 0.000 0.910 573 S CB 0.751 64.257 63.200 0.509 0.000 1.105 573 S HN 0.751 nan 8.310 nan 0.000 0.465 574 L N 3.140 124.564 121.223 0.334 0.000 2.612 574 L HA 0.335 4.675 4.340 0.001 0.000 0.230 574 L C 1.771 178.813 176.870 0.286 0.000 1.140 574 L CA 0.705 55.714 54.840 0.282 0.000 0.896 574 L CB -0.145 42.005 42.059 0.152 0.000 1.065 574 L HN 0.830 nan 8.230 nan 0.000 0.447 575 A N -1.070 121.920 122.820 0.282 0.000 2.358 575 A HA 0.560 4.881 4.320 0.001 0.000 0.223 575 A C 1.118 178.802 177.584 0.167 0.000 1.218 575 A CA 0.439 52.605 52.037 0.214 0.000 0.942 575 A CB 0.267 19.402 19.000 0.225 0.000 1.005 575 A HN 0.364 nan 8.150 nan 0.000 0.514 576 G N 0.156 109.057 108.800 0.168 0.000 2.760 576 G HA2 -0.091 3.869 3.960 0.001 0.000 0.246 576 G HA3 -0.091 3.869 3.960 0.001 0.000 0.246 576 G C -0.391 174.550 174.900 0.068 0.000 1.359 576 G CA -0.324 44.828 45.100 0.087 0.000 0.861 576 G HN 1.124 nan 8.290 nan 0.000 0.541 577 Q N -0.040 119.763 119.800 0.004 0.000 2.332 577 Q HA 0.575 4.916 4.340 0.001 0.000 0.263 577 Q C 0.743 176.717 176.000 -0.044 0.000 0.979 577 Q CA -0.261 55.518 55.803 -0.040 0.000 0.885 577 Q CB 0.691 29.389 28.738 -0.068 0.000 1.218 577 Q HN 0.653 nan 8.270 nan 0.000 0.405 578 R N 1.223 121.653 120.500 -0.117 0.000 2.587 578 R HA -0.099 4.242 4.340 0.001 0.000 0.268 578 R C 0.829 177.050 176.300 -0.131 0.000 0.978 578 R CA 0.833 56.802 56.100 -0.218 0.000 1.097 578 R CB 0.103 30.053 30.300 -0.584 0.000 0.917 578 R HN 0.708 nan 8.270 nan 0.000 0.414 579 T N 0.701 115.211 114.554 -0.074 0.000 3.043 579 T HA -0.061 4.289 4.350 0.001 0.000 0.263 579 T C 0.442 175.112 174.700 -0.050 0.000 1.094 579 T CA 1.172 63.245 62.100 -0.046 0.000 1.127 579 T CB -0.002 68.861 68.868 -0.010 0.000 0.905 579 T HN 0.695 nan 8.240 nan 0.000 0.490 580 D N -0.104 120.260 120.400 -0.061 0.000 2.525 580 D HA 0.140 4.780 4.640 0.001 0.000 0.229 580 D C -0.029 176.246 176.300 -0.043 0.000 1.202 580 D CA -0.432 53.572 54.000 0.007 0.000 0.828 580 D CB -1.435 39.466 40.800 0.169 0.000 1.008 580 D HN 0.183 nan 8.370 nan 0.000 0.493 581 C N 2.155 121.370 119.300 -0.141 0.000 2.611 581 C HA 0.193 4.653 4.460 0.001 0.000 0.416 581 C C -1.551 173.400 174.990 -0.064 0.000 1.366 581 C CA -0.818 58.100 59.018 -0.167 0.000 1.761 581 C CB -0.390 27.261 27.740 -0.148 0.000 2.619 581 C HN 0.352 nan 8.230 nan 0.000 0.606 582 P HA 0.124 nan 4.420 nan 0.000 0.271 582 P C 0.912 178.215 177.300 0.006 0.000 1.244 582 P CA 0.059 63.167 63.100 0.014 0.000 0.793 582 P CB 0.224 31.951 31.700 0.045 0.000 0.984 583 T N -3.896 110.670 114.554 0.019 0.000 3.007 583 T HA -0.095 4.256 4.350 0.001 0.000 0.270 583 T C 1.247 175.961 174.700 0.023 0.000 1.107 583 T CA 1.321 63.431 62.100 0.016 0.000 1.118 583 T CB -1.343 67.535 68.868 0.018 0.000 0.889 583 T HN 0.334 nan 8.240 nan 0.000 0.506 584 T N 1.392 115.967 114.554 0.035 0.000 3.085 584 T HA 0.202 4.552 4.350 0.001 0.000 0.263 584 T C 0.634 175.364 174.700 0.050 0.000 1.127 584 T CA 0.115 62.242 62.100 0.044 0.000 1.103 584 T CB -0.134 68.772 68.868 0.063 0.000 0.921 584 T HN 0.275 nan 8.240 nan 0.000 0.510 585 V N 1.169 121.108 119.914 0.041 0.000 2.667 585 V HA 0.549 4.670 4.120 0.001 0.000 0.308 585 V C -0.018 176.085 176.094 0.016 0.000 1.048 585 V CA -1.205 61.122 62.300 0.045 0.000 0.928 585 V CB 2.312 34.152 31.823 0.029 0.000 1.004 585 V HN 0.116 nan 8.190 nan 0.000 0.444 586 R N 1.838 122.351 120.500 0.021 0.000 2.807 586 R HA 0.806 5.146 4.340 0.001 0.000 0.276 586 R C -1.935 174.361 176.300 -0.007 0.000 0.979 586 R CA -0.555 55.548 56.100 0.006 0.000 0.928 586 R CB 2.333 32.643 30.300 0.017 0.000 1.191 586 R HN 0.509 nan 8.270 nan 0.000 0.471 587 V N 5.249 125.149 119.914 -0.024 0.000 2.349 587 V HA 0.262 4.383 4.120 0.001 0.000 0.284 587 V C 0.168 176.238 176.094 -0.040 0.000 1.014 587 V CA -0.718 61.555 62.300 -0.044 0.000 0.826 587 V CB 1.496 33.282 31.823 -0.061 0.000 1.009 587 V HN 0.700 nan 8.190 nan 0.000 0.431 588 L N 5.425 126.623 121.223 -0.041 0.000 2.654 588 L HA 0.112 4.452 4.340 0.001 0.000 0.271 588 L C 0.321 177.172 176.870 -0.031 0.000 1.169 588 L CA 0.657 55.480 54.840 -0.029 0.000 0.947 588 L CB 0.198 42.241 42.059 -0.026 0.000 1.232 588 L HN 0.607 nan 8.230 nan 0.000 0.486 589 K N 0.000 120.388 120.400 -0.021 0.000 2.780 589 K HA 0.000 4.321 4.320 0.001 0.000 0.191 589 K CA 0.000 56.275 56.287 -0.019 0.000 0.838 589 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 589 K HN 0.000 nan 8.250 nan 0.000 0.543