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 3ogl_1_B DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRRXX XXXXXXXXXX DATA SEQUENCE XEHPAHILAY YSLAGQRTDC PTTVRVLKEP I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.604 174.600 0.007 0.000 1.055 12 S CA 0.000 58.204 58.200 0.007 0.000 1.107 12 S CB 0.000 63.203 63.200 0.006 0.000 0.593 13 C N 3.454 122.759 119.300 0.009 0.000 2.401 13 C HA 0.828 5.285 4.460 -0.004 0.000 0.356 13 C C 0.718 175.715 174.990 0.011 0.000 1.192 13 C CA -0.236 58.788 59.018 0.010 0.000 2.028 13 C CB 0.994 28.741 27.740 0.011 0.000 2.344 13 C HN 0.968 nan 8.230 nan 0.000 0.525 14 V N 3.420 123.341 119.914 0.011 0.000 2.752 14 V HA 0.249 4.367 4.120 -0.004 0.000 0.306 14 V C 0.903 177.006 176.094 0.015 0.000 1.099 14 V CA 0.421 62.729 62.300 0.012 0.000 1.240 14 V CB -0.415 31.415 31.823 0.013 0.000 0.887 14 V HN 1.052 nan 8.190 nan 0.000 0.499 15 A N 4.547 127.376 122.820 0.015 0.000 2.309 15 A HA 0.599 4.916 4.320 -0.004 0.000 0.290 15 A C 0.579 178.178 177.584 0.025 0.000 1.206 15 A CA -0.382 51.666 52.037 0.017 0.000 0.850 15 A CB -0.020 18.987 19.000 0.012 0.000 1.118 15 A HN 0.928 nan 8.150 nan 0.000 0.523 16 T N 1.440 116.014 114.554 0.033 0.000 2.862 16 T HA 0.345 4.692 4.350 -0.004 0.000 0.276 16 T C 1.715 176.451 174.700 0.061 0.000 0.974 16 T CA -0.273 61.856 62.100 0.049 0.000 0.966 16 T CB 1.059 69.962 68.868 0.058 0.000 1.072 16 T HN 0.398 nan 8.240 nan 0.000 0.538 17 V N 0.197 120.168 119.914 0.094 0.000 2.343 17 V HA -0.153 3.965 4.120 -0.004 0.000 0.247 17 V C 2.216 178.380 176.094 0.118 0.000 1.051 17 V CA 2.013 64.388 62.300 0.125 0.000 1.036 17 V CB -0.971 30.995 31.823 0.238 0.000 0.654 17 V HN 0.947 nan 8.190 nan 0.000 0.451 18 D N 0.211 120.698 120.400 0.146 0.000 2.357 18 D HA -0.181 4.457 4.640 -0.004 0.000 0.216 18 D C 1.385 177.720 176.300 0.059 0.000 0.973 18 D CA 0.953 55.031 54.000 0.130 0.000 0.912 18 D CB -0.130 40.749 40.800 0.132 0.000 0.900 18 D HN 0.447 nan 8.370 nan 0.000 0.501 19 D N -0.701 119.724 120.400 0.041 0.000 2.328 19 D HA 0.038 4.675 4.640 -0.004 0.000 0.221 19 D C 0.818 177.117 176.300 -0.002 0.000 1.072 19 D CA 0.113 54.125 54.000 0.019 0.000 0.850 19 D CB 1.459 42.271 40.800 0.019 0.000 0.922 19 D HN 0.130 nan 8.370 nan 0.000 0.516 20 V N 0.167 120.071 119.914 -0.017 0.000 3.643 20 V HA 0.016 4.134 4.120 -0.004 0.000 0.271 20 V C 1.151 177.192 176.094 -0.088 0.000 1.698 20 V CA -0.079 62.195 62.300 -0.042 0.000 1.113 20 V CB 0.659 32.463 31.823 -0.032 0.000 0.930 20 V HN -0.066 nan 8.190 nan 0.000 0.395 21 I N 1.037 121.532 120.570 -0.124 0.000 2.406 21 I HA -0.046 4.122 4.170 -0.004 0.000 0.249 21 I C 2.103 178.071 176.117 -0.249 0.000 1.122 21 I CA 2.032 63.167 61.300 -0.274 0.000 1.431 21 I CB -0.136 37.582 38.000 -0.470 0.000 1.087 21 I HN 0.385 nan 8.210 nan 0.000 0.424 22 E N -0.027 120.078 120.200 -0.158 0.000 2.171 22 E HA -0.278 4.069 4.350 -0.004 0.000 0.197 22 E C 1.997 178.558 176.600 -0.065 0.000 0.997 22 E CA 1.165 57.502 56.400 -0.105 0.000 0.810 22 E CB -0.202 29.464 29.700 -0.057 0.000 0.738 22 E HN 0.649 nan 8.360 nan 0.000 0.467 23 Q N 0.172 119.939 119.800 -0.054 0.000 2.061 23 Q HA -0.057 4.280 4.340 -0.004 0.000 0.195 23 Q C 2.526 178.546 176.000 0.033 0.000 0.967 23 Q CA 0.797 56.601 55.803 0.001 0.000 0.829 23 Q CB 0.077 28.801 28.738 -0.024 0.000 0.900 23 Q HN 0.190 nan 8.270 nan 0.000 0.450 24 V N 1.371 121.240 119.914 -0.075 0.000 2.407 24 V HA -0.285 3.832 4.120 -0.004 0.000 0.248 24 V C 2.400 178.505 176.094 0.018 0.000 1.055 24 V CA 1.764 64.004 62.300 -0.099 0.000 1.049 24 V CB -0.560 31.168 31.823 -0.157 0.000 0.662 24 V HN 0.331 nan 8.190 nan 0.000 0.455 25 M N 1.605 121.165 119.600 -0.068 0.000 2.144 25 M HA -0.185 4.293 4.480 -0.004 0.000 0.260 25 M C 2.127 178.442 176.300 0.025 0.000 1.067 25 M CA 2.458 57.715 55.300 -0.073 0.000 1.095 25 M CB -0.772 31.739 32.600 -0.147 0.000 1.365 25 M HN 0.546 nan 8.290 nan 0.000 0.406 26 T N -2.490 112.108 114.554 0.073 0.000 3.227 26 T HA -0.077 4.271 4.350 -0.004 0.000 0.257 26 T C 0.696 175.381 174.700 -0.025 0.000 1.162 26 T CA 0.675 62.789 62.100 0.023 0.000 1.051 26 T CB -0.712 68.149 68.868 -0.012 0.000 0.953 26 T HN 0.498 nan 8.240 nan 0.000 0.535 27 Y N 0.420 120.695 120.300 -0.042 0.000 2.467 27 Y HA 0.507 5.055 4.550 -0.004 0.000 0.250 27 Y C 0.685 176.571 175.900 -0.023 0.000 1.155 27 Y CA -1.593 56.489 58.100 -0.030 0.000 1.249 27 Y CB 0.304 38.748 38.460 -0.027 0.000 1.146 27 Y HN 0.285 nan 8.280 nan 0.000 0.524 28 I N 0.072 120.702 120.570 0.100 0.000 2.304 28 I HA 0.125 4.293 4.170 -0.004 0.000 0.291 28 I C 1.124 177.255 176.117 0.023 0.000 1.018 28 I CA 0.071 61.407 61.300 0.060 0.000 1.260 28 I CB 1.617 39.649 38.000 0.053 0.000 1.390 28 I HN -0.041 nan 8.210 nan 0.000 0.475 29 T N 2.385 116.947 114.554 0.013 0.000 3.038 29 T HA -0.001 4.347 4.350 -0.004 0.000 0.244 29 T C 0.653 175.346 174.700 -0.012 0.000 1.016 29 T CA 0.052 62.143 62.100 -0.014 0.000 1.098 29 T CB 0.063 68.915 68.868 -0.027 0.000 0.954 29 T HN 0.587 nan 8.240 nan 0.000 0.469 30 D N 2.206 122.609 120.400 0.005 0.000 2.472 30 D HA 0.100 4.737 4.640 -0.004 0.000 0.248 30 D C -1.728 174.582 176.300 0.017 0.000 1.174 30 D CA -1.795 52.211 54.000 0.009 0.000 0.883 30 D CB 1.642 42.457 40.800 0.024 0.000 1.149 30 D HN 0.138 nan 8.370 nan 0.000 0.488 31 P HA -0.119 nan 4.420 nan 0.000 0.221 31 P C 0.850 178.176 177.300 0.043 0.000 1.145 31 P CA 1.007 64.118 63.100 0.018 0.000 0.795 31 P CB 0.306 32.011 31.700 0.010 0.000 0.775 32 K N -0.869 119.558 120.400 0.046 0.000 2.400 32 K HA 0.003 4.321 4.320 -0.004 0.000 0.194 32 K C 1.242 177.884 176.600 0.069 0.000 1.033 32 K CA 0.875 57.197 56.287 0.059 0.000 1.021 32 K CB -0.346 32.186 32.500 0.052 0.000 0.808 32 K HN -0.029 nan 8.250 nan 0.000 0.505 33 D N -0.644 119.797 120.400 0.068 0.000 2.324 33 D HA 0.029 4.667 4.640 -0.004 0.000 0.212 33 D C 1.571 177.934 176.300 0.105 0.000 0.984 33 D CA 0.226 54.277 54.000 0.084 0.000 0.885 33 D CB 0.327 41.172 40.800 0.075 0.000 0.996 33 D HN -0.040 nan 8.370 nan 0.000 0.505 34 R N 1.130 121.683 120.500 0.089 0.000 2.091 34 R HA -0.114 4.224 4.340 -0.004 0.000 0.238 34 R C 1.673 178.055 176.300 0.137 0.000 1.136 34 R CA 0.919 57.082 56.100 0.104 0.000 0.959 34 R CB -0.867 29.477 30.300 0.072 0.000 0.856 34 R HN 0.278 nan 8.270 nan 0.000 0.437 35 D N 0.203 120.677 120.400 0.123 0.000 2.103 35 D HA -0.139 4.499 4.640 -0.004 0.000 0.190 35 D C 1.738 178.122 176.300 0.141 0.000 0.997 35 D CA 2.334 56.415 54.000 0.135 0.000 0.833 35 D CB 0.100 40.965 40.800 0.108 0.000 0.961 35 D HN 0.116 nan 8.370 nan 0.000 0.447 36 S N 0.078 115.854 115.700 0.125 0.000 2.343 36 S HA -0.200 4.267 4.470 -0.004 0.000 0.219 36 S C 2.208 176.908 174.600 0.168 0.000 1.033 36 S CA 1.158 59.430 58.200 0.121 0.000 1.014 36 S CB -0.779 62.483 63.200 0.103 0.000 0.915 36 S HN 0.429 nan 8.310 nan 0.000 0.435 37 A N 2.082 125.037 122.820 0.225 0.000 1.997 37 A HA -0.178 4.140 4.320 -0.004 0.000 0.221 37 A C 2.304 180.126 177.584 0.397 0.000 1.172 37 A CA 2.124 54.390 52.037 0.381 0.000 0.645 37 A CB -1.071 18.138 19.000 0.348 0.000 0.813 37 A HN 0.670 nan 8.150 nan 0.000 0.454 38 S N -1.232 114.639 115.700 0.284 0.000 2.555 38 S HA 0.156 4.623 4.470 -0.004 0.000 0.230 38 S C 1.218 176.025 174.600 0.344 0.000 0.978 38 S CA 1.019 59.405 58.200 0.310 0.000 0.934 38 S CB -0.247 63.108 63.200 0.259 0.000 0.766 38 S HN 0.449 nan 8.310 nan 0.000 0.533 39 L N 1.264 122.621 121.223 0.223 0.000 2.766 39 L HA 0.316 4.654 4.340 -0.004 0.000 0.242 39 L C 1.963 178.852 176.870 0.031 0.000 1.136 39 L CA 0.115 55.031 54.840 0.126 0.000 0.933 39 L CB 0.796 42.908 42.059 0.089 0.000 1.241 39 L HN 0.359 nan 8.230 nan 0.000 0.522 40 V N -1.832 118.075 119.914 -0.012 0.000 2.788 40 V HA 0.044 4.161 4.120 -0.004 0.000 0.251 40 V C 0.653 176.613 176.094 -0.223 0.000 1.068 40 V CA 0.739 62.905 62.300 -0.224 0.000 1.090 40 V CB -0.164 31.301 31.823 -0.596 0.000 0.710 40 V HN 0.555 nan 8.190 nan 0.000 0.467 41 C N -2.287 116.964 119.300 -0.082 0.000 3.034 41 C HA 0.419 4.877 4.460 -0.004 0.000 0.336 41 C C 1.187 176.245 174.990 0.114 0.000 1.304 41 C CA -0.386 58.613 59.018 -0.032 0.000 1.197 41 C CB 0.910 28.586 27.740 -0.108 0.000 1.373 41 C HN 0.389 nan 8.230 nan 0.000 0.459 42 R N 0.240 120.786 120.500 0.077 0.000 2.105 42 R HA -0.106 4.231 4.340 -0.004 0.000 0.239 42 R C 2.467 178.917 176.300 0.250 0.000 1.135 42 R CA 2.029 58.198 56.100 0.115 0.000 0.967 42 R CB -0.234 30.091 30.300 0.042 0.000 0.861 42 R HN 0.721 nan 8.270 nan 0.000 0.442 43 R N -0.185 120.468 120.500 0.255 0.000 2.057 43 R HA -0.141 4.197 4.340 -0.004 0.000 0.229 43 R C 1.871 178.386 176.300 0.358 0.000 1.136 43 R CA 1.447 57.718 56.100 0.285 0.000 0.952 43 R CB -0.183 30.284 30.300 0.279 0.000 0.848 43 R HN 0.203 nan 8.270 nan 0.000 0.430 44 W N 0.343 121.706 121.300 0.105 0.000 2.321 44 W HA -0.231 4.428 4.660 -0.001 0.000 0.306 44 W C 2.066 178.658 176.519 0.121 0.000 1.217 44 W CA 1.147 58.551 57.345 0.097 0.000 1.257 44 W CB -1.032 28.483 29.460 0.091 0.000 1.145 44 W HN 0.140 nan 8.180 nan 0.000 0.509 45 F N 1.439 121.547 119.950 0.263 0.000 2.126 45 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 45 F C 2.361 178.217 175.800 0.093 0.000 1.096 45 F CA 2.445 60.534 58.000 0.147 0.000 1.255 45 F CB -0.512 38.544 39.000 0.093 0.000 0.997 45 F HN -0.203 nan 8.300 nan 0.000 0.479 46 K N 0.473 120.993 120.400 0.200 0.000 2.097 46 K HA -0.095 4.223 4.320 -0.004 0.000 0.205 46 K C 2.089 178.657 176.600 -0.053 0.000 1.050 46 K CA 1.594 57.906 56.287 0.042 0.000 0.938 46 K CB -0.218 32.379 32.500 0.162 0.000 0.718 46 K HN 0.398 nan 8.250 nan 0.000 0.442 47 I N 0.837 121.401 120.570 -0.009 0.000 2.252 47 I HA -0.247 3.921 4.170 -0.004 0.000 0.245 47 I C 2.074 178.155 176.117 -0.060 0.000 1.102 47 I CA 1.566 62.839 61.300 -0.045 0.000 1.385 47 I CB -0.367 37.579 38.000 -0.089 0.000 1.064 47 I HN 0.328 nan 8.210 nan 0.000 0.414 48 D N 0.443 120.806 120.400 -0.062 0.000 2.117 48 D HA -0.255 4.383 4.640 -0.004 0.000 0.197 48 D C 2.263 178.560 176.300 -0.005 0.000 0.987 48 D CA 1.742 55.728 54.000 -0.022 0.000 0.829 48 D CB -0.015 40.795 40.800 0.017 0.000 0.961 48 D HN 0.164 nan 8.370 nan 0.000 0.460 49 S N -0.541 115.050 115.700 -0.183 0.000 2.374 49 S HA -0.250 4.218 4.470 -0.004 0.000 0.227 49 S C 1.717 176.319 174.600 0.003 0.000 1.037 49 S CA 1.606 59.685 58.200 -0.202 0.000 1.024 49 S CB -0.495 62.415 63.200 -0.483 0.000 0.861 49 S HN 0.445 nan 8.310 nan 0.000 0.456 50 E N -0.319 119.869 120.200 -0.019 0.000 2.479 50 E HA 0.056 4.404 4.350 -0.004 0.000 0.193 50 E C 1.526 178.140 176.600 0.023 0.000 1.049 50 E CA 0.890 57.296 56.400 0.011 0.000 0.870 50 E CB 0.307 30.004 29.700 -0.004 0.000 0.944 50 E HN 0.855 nan 8.360 nan 0.000 0.492 51 T N -2.259 112.311 114.554 0.026 0.000 2.975 51 T HA 0.163 4.511 4.350 -0.004 0.000 0.257 51 T C 0.878 175.586 174.700 0.012 0.000 1.003 51 T CA -0.514 61.593 62.100 0.011 0.000 0.932 51 T CB 0.207 69.069 68.868 -0.010 0.000 1.087 51 T HN -0.181 nan 8.240 nan 0.000 0.512 52 R N 2.113 122.640 120.500 0.046 0.000 2.484 52 R HA 0.162 4.499 4.340 -0.004 0.000 0.293 52 R C 0.943 177.199 176.300 -0.072 0.000 1.023 52 R CA 0.529 56.607 56.100 -0.038 0.000 1.037 52 R CB 0.182 30.398 30.300 -0.139 0.000 0.951 52 R HN 0.423 nan 8.270 nan 0.000 0.418 53 E N 1.460 121.614 120.200 -0.078 0.000 2.244 53 E HA -0.010 4.338 4.350 -0.004 0.000 0.196 53 E C -0.101 176.474 176.600 -0.042 0.000 0.939 53 E CA 0.209 56.582 56.400 -0.046 0.000 0.884 53 E CB 0.224 29.909 29.700 -0.024 0.000 0.850 53 E HN 0.502 nan 8.360 nan 0.000 0.481 54 H N 0.612 119.581 119.070 -0.169 0.000 2.589 54 H HA 0.453 5.006 4.556 -0.004 0.000 0.351 54 H C -1.447 173.735 175.328 -0.243 0.000 1.074 54 H CA -0.501 55.445 56.048 -0.170 0.000 1.203 54 H CB 1.327 31.015 29.762 -0.123 0.000 1.558 54 H HN -0.189 nan 8.280 nan 0.000 0.522 55 V N 3.884 123.402 119.914 -0.660 0.000 2.962 55 V HA 0.392 4.509 4.120 -0.004 0.000 0.313 55 V C -0.226 175.567 176.094 -0.503 0.000 1.099 55 V CA -0.666 61.365 62.300 -0.449 0.000 0.971 55 V CB 2.275 33.857 31.823 -0.401 0.000 1.028 55 V HN 0.898 nan 8.190 nan 0.000 0.430 56 T N 4.686 119.130 114.554 -0.184 0.000 2.879 56 T HA 0.568 4.916 4.350 -0.004 0.000 0.290 56 T C -0.541 174.097 174.700 -0.103 0.000 0.993 56 T CA -0.380 61.639 62.100 -0.135 0.000 0.975 56 T CB 1.157 70.033 68.868 0.012 0.000 0.981 56 T HN 0.486 nan 8.240 nan 0.000 0.439 57 M N 2.612 122.122 119.600 -0.149 0.000 2.129 57 M HA 0.444 4.922 4.480 -0.004 0.000 0.348 57 M C 1.204 177.433 176.300 -0.118 0.000 1.116 57 M CA -0.821 54.414 55.300 -0.108 0.000 1.022 57 M CB 1.565 34.068 32.600 -0.162 0.000 1.599 57 M HN 0.769 nan 8.290 nan 0.000 0.449 58 A N 4.331 127.111 122.820 -0.067 0.000 2.119 58 A HA 0.185 4.503 4.320 -0.004 0.000 0.217 58 A C 0.721 178.250 177.584 -0.092 0.000 1.153 58 A CA 0.870 52.847 52.037 -0.100 0.000 0.692 58 A CB 0.273 19.218 19.000 -0.093 0.000 0.799 58 A HN 0.750 nan 8.150 nan 0.000 0.458 59 L N 0.129 121.333 121.223 -0.032 0.000 2.541 59 L HA 0.173 4.511 4.340 -0.004 0.000 0.266 59 L C 1.011 177.878 176.870 -0.005 0.000 0.966 59 L CA -0.731 54.117 54.840 0.012 0.000 0.871 59 L CB 1.530 43.647 42.059 0.097 0.000 1.232 59 L HN 0.457 nan 8.230 nan 0.000 0.408 60 C N 1.866 121.093 119.300 -0.121 0.000 2.410 60 C HA -0.143 4.314 4.460 -0.004 0.000 0.281 60 C C 1.784 176.800 174.990 0.044 0.000 1.318 60 C CA 0.420 59.317 59.018 -0.202 0.000 1.776 60 C CB -1.375 26.101 27.740 -0.441 0.000 1.942 60 C HN 0.787 nan 8.230 nan 0.000 0.508 61 Y N 0.918 121.314 120.300 0.160 0.000 2.578 61 Y HA 0.039 4.586 4.550 -0.004 0.000 0.297 61 Y C 2.784 178.854 175.900 0.283 0.000 1.176 61 Y CA 0.901 59.121 58.100 0.201 0.000 1.315 61 Y CB -0.327 38.184 38.460 0.085 0.000 1.031 61 Y HN 0.361 nan 8.280 nan 0.000 0.524 62 T N -0.425 114.349 114.554 0.368 0.000 3.043 62 T HA 0.349 4.697 4.350 -0.004 0.000 0.263 62 T C 0.444 175.355 174.700 0.350 0.000 1.094 62 T CA 0.701 63.032 62.100 0.384 0.000 1.127 62 T CB -0.128 68.924 68.868 0.307 0.000 0.905 62 T HN 0.284 nan 8.240 nan 0.000 0.490 63 A N -0.008 123.024 122.820 0.354 0.000 2.610 63 A HA 0.606 4.924 4.320 -0.004 0.000 0.291 63 A C -0.252 177.515 177.584 0.305 0.000 1.086 63 A CA -0.849 51.375 52.037 0.311 0.000 0.677 63 A CB 0.814 19.988 19.000 0.290 0.000 1.278 63 A HN 0.239 nan 8.150 nan 0.000 0.414 64 T N 0.888 115.539 114.554 0.162 0.000 2.913 64 T HA 0.416 4.764 4.350 -0.004 0.000 0.297 64 T C -2.096 172.494 174.700 -0.184 0.000 1.029 64 T CA -1.011 61.079 62.100 -0.018 0.000 1.104 64 T CB 0.684 69.542 68.868 -0.018 0.000 0.964 64 T HN 0.316 nan 8.240 nan 0.000 0.532 65 P HA -0.033 nan 4.420 nan 0.000 0.223 65 P C 1.115 178.274 177.300 -0.235 0.000 1.151 65 P CA 0.591 63.208 63.100 -0.804 0.000 0.787 65 P CB 0.100 31.078 31.700 -1.205 0.000 0.788 66 D N -0.050 120.244 120.400 -0.176 0.000 2.092 66 D HA -0.208 4.430 4.640 -0.004 0.000 0.193 66 D C 2.108 178.407 176.300 -0.002 0.000 0.994 66 D CA 1.222 55.182 54.000 -0.066 0.000 0.828 66 D CB -0.355 40.414 40.800 -0.051 0.000 0.963 66 D HN -0.095 nan 8.370 nan 0.000 0.450 67 R N -0.450 120.063 120.500 0.022 0.000 2.105 67 R HA -0.163 4.174 4.340 -0.004 0.000 0.239 67 R C 2.404 178.758 176.300 0.091 0.000 1.135 67 R CA 1.387 57.525 56.100 0.063 0.000 0.967 67 R CB -0.497 29.859 30.300 0.094 0.000 0.861 67 R HN 0.330 nan 8.270 nan 0.000 0.442 68 L N 0.651 121.968 121.223 0.156 0.000 2.017 68 L HA -0.141 4.197 4.340 -0.004 0.000 0.208 68 L C 2.369 179.353 176.870 0.189 0.000 1.073 68 L CA 2.444 57.430 54.840 0.242 0.000 0.745 68 L CB -0.608 41.690 42.059 0.398 0.000 0.894 68 L HN 0.339 nan 8.230 nan 0.000 0.432 69 S N -0.409 115.372 115.700 0.136 0.000 2.402 69 S HA -0.252 4.216 4.470 -0.004 0.000 0.229 69 S C 2.218 176.853 174.600 0.059 0.000 1.021 69 S CA 1.008 59.271 58.200 0.104 0.000 0.974 69 S CB -0.699 62.543 63.200 0.070 0.000 0.800 69 S HN 0.647 nan 8.310 nan 0.000 0.484 70 R N 1.172 121.691 120.500 0.032 0.000 2.073 70 R HA 0.050 4.388 4.340 -0.004 0.000 0.229 70 R C 2.532 178.805 176.300 -0.045 0.000 1.120 70 R CA 1.353 57.456 56.100 0.006 0.000 0.967 70 R CB -0.301 30.008 30.300 0.014 0.000 0.862 70 R HN 0.424 nan 8.270 nan 0.000 0.436 71 R N -0.293 120.138 120.500 -0.115 0.000 2.073 71 R HA 0.018 4.356 4.340 -0.004 0.000 0.229 71 R C -0.156 175.770 176.300 -0.624 0.000 1.120 71 R CA 1.371 57.226 56.100 -0.408 0.000 0.967 71 R CB 0.123 30.081 30.300 -0.571 0.000 0.862 71 R HN 0.263 nan 8.270 nan 0.000 0.436 72 F N -0.112 119.842 119.950 0.007 0.000 2.622 72 F HA 0.389 4.914 4.527 -0.003 0.000 0.338 72 F C -1.863 173.937 175.800 0.000 0.000 1.334 72 F CA -2.238 55.754 58.000 -0.014 0.000 1.179 72 F CB 2.050 41.044 39.000 -0.009 0.000 1.471 72 F HN -0.015 nan 8.300 nan 0.000 0.576 73 P HA -0.112 nan 4.420 nan 0.000 0.221 73 P C -0.063 177.284 177.300 0.077 0.000 1.145 73 P CA 1.462 64.611 63.100 0.081 0.000 0.795 73 P CB 0.127 31.854 31.700 0.045 0.000 0.775 74 N N -1.255 117.497 118.700 0.087 0.000 2.401 74 N HA 0.173 4.911 4.740 -0.004 0.000 0.264 74 N C -0.299 175.235 175.510 0.039 0.000 1.238 74 N CA -0.304 52.778 53.050 0.053 0.000 0.889 74 N CB -0.028 38.481 38.487 0.038 0.000 1.196 74 N HN 0.035 nan 8.380 nan 0.000 0.511 75 L N 0.875 122.125 121.223 0.045 0.000 2.543 75 L HA -0.013 4.325 4.340 -0.004 0.000 0.285 75 L C 1.425 178.287 176.870 -0.013 0.000 1.236 75 L CA 0.394 55.229 54.840 -0.008 0.000 0.871 75 L CB 0.571 42.620 42.059 -0.017 0.000 1.121 75 L HN 0.314 nan 8.230 nan 0.000 0.501 76 R N 0.776 121.259 120.500 -0.029 0.000 2.257 76 R HA 0.164 4.502 4.340 -0.004 0.000 0.195 76 R C 0.320 176.602 176.300 -0.029 0.000 0.921 76 R CA 0.245 56.333 56.100 -0.020 0.000 1.069 76 R CB 0.533 30.826 30.300 -0.013 0.000 1.115 76 R HN 0.597 nan 8.270 nan 0.000 0.571 77 S N 0.590 116.262 115.700 -0.047 0.000 2.538 77 S HA 0.619 5.087 4.470 -0.004 0.000 0.288 77 S C -1.467 172.983 174.600 -0.251 0.000 1.108 77 S CA -0.661 57.501 58.200 -0.064 0.000 0.971 77 S CB 1.103 64.368 63.200 0.108 0.000 1.041 77 S HN 0.054 nan 8.310 nan 0.000 0.483 78 L N 3.413 124.488 121.223 -0.246 0.000 2.371 78 L HA 0.794 5.132 4.340 -0.004 0.000 0.262 78 L C -1.217 175.481 176.870 -0.287 0.000 1.006 78 L CA -0.319 54.328 54.840 -0.322 0.000 0.818 78 L CB 1.958 43.916 42.059 -0.168 0.000 1.354 78 L HN 0.802 nan 8.230 nan 0.000 0.415 79 K N 4.357 124.570 120.400 -0.312 0.000 2.581 79 K HA 0.626 4.943 4.320 -0.004 0.000 0.249 79 K C -2.218 174.229 176.600 -0.256 0.000 0.966 79 K CA -0.493 55.646 56.287 -0.248 0.000 0.811 79 K CB 1.149 33.517 32.500 -0.220 0.000 1.223 79 K HN 0.705 nan 8.250 nan 0.000 0.438 80 L N 3.681 124.784 121.223 -0.201 0.000 2.362 80 L HA 0.578 4.916 4.340 -0.004 0.000 0.271 80 L C -0.519 176.243 176.870 -0.179 0.000 1.002 80 L CA -1.088 53.598 54.840 -0.256 0.000 0.818 80 L CB 2.029 43.862 42.059 -0.377 0.000 1.298 80 L HN 0.502 nan 8.230 nan 0.000 0.420 81 K N 0.659 120.941 120.400 -0.196 0.000 2.203 81 K HA 0.678 4.996 4.320 -0.004 0.000 0.251 81 K C 0.194 176.728 176.600 -0.109 0.000 0.944 81 K CA -0.549 55.654 56.287 -0.140 0.000 0.829 81 K CB 2.569 34.976 32.500 -0.155 0.000 1.125 81 K HN 0.750 nan 8.250 nan 0.000 0.430 82 G N 1.447 110.221 108.800 -0.044 0.000 2.560 82 G HA2 0.115 4.072 3.960 -0.004 0.000 0.212 82 G HA3 0.115 4.072 3.960 -0.004 0.000 0.212 82 G C -0.581 174.409 174.900 0.151 0.000 2.038 82 G CA -0.355 44.791 45.100 0.077 0.000 0.728 82 G HN 0.387 nan 8.290 nan 0.000 0.784 83 K N 1.874 122.331 120.400 0.095 0.000 2.527 83 K HA 0.130 4.448 4.320 -0.004 0.000 0.278 83 K C -2.205 174.197 176.600 -0.330 0.000 0.981 83 K CA -0.829 55.298 56.287 -0.267 0.000 1.009 83 K CB 0.493 32.890 32.500 -0.171 0.000 0.895 83 K HN 0.088 nan 8.250 nan 0.000 0.493 84 P HA -0.085 nan 4.420 nan 0.000 0.270 84 P C 0.314 177.416 177.300 -0.330 0.000 1.216 84 P CA 0.138 63.037 63.100 -0.335 0.000 0.788 84 P CB 0.488 31.879 31.700 -0.516 0.000 0.883 85 R N 1.309 121.641 120.500 -0.280 0.000 2.148 85 R HA -0.094 4.244 4.340 -0.004 0.000 0.227 85 R C 2.010 178.220 176.300 -0.150 0.000 1.103 85 R CA 1.411 57.401 56.100 -0.183 0.000 0.983 85 R CB -0.729 29.500 30.300 -0.119 0.000 0.874 85 R HN 0.524 nan 8.270 nan 0.000 0.451 86 A N 0.637 123.194 122.820 -0.438 0.000 2.076 86 A HA -0.129 4.189 4.320 -0.004 0.000 0.220 86 A C 2.193 179.688 177.584 -0.148 0.000 1.160 86 A CA 1.535 53.330 52.037 -0.405 0.000 0.653 86 A CB -0.440 17.872 19.000 -1.147 0.000 0.801 86 A HN 0.431 nan 8.150 nan 0.000 0.455 87 A N -0.385 122.300 122.820 -0.226 0.000 2.019 87 A HA -0.076 4.242 4.320 -0.004 0.000 0.219 87 A C 1.997 179.507 177.584 -0.123 0.000 1.164 87 A CA 1.508 53.449 52.037 -0.161 0.000 0.644 87 A CB -0.545 18.339 19.000 -0.193 0.000 0.805 87 A HN 0.548 nan 8.150 nan 0.000 0.449 88 M N -1.520 117.990 119.600 -0.150 0.000 2.686 88 M HA 0.072 4.550 4.480 -0.004 0.000 0.246 88 M C -0.134 175.742 176.300 -0.707 0.000 1.096 88 M CA 0.797 55.864 55.300 -0.390 0.000 1.076 88 M CB -0.127 32.184 32.600 -0.482 0.000 1.504 88 M HN 0.444 nan 8.290 nan 0.000 0.524 89 F N -0.394 119.499 119.950 -0.094 0.000 2.791 89 F HA 0.300 4.824 4.527 -0.004 0.000 0.316 89 F C 0.255 176.019 175.800 -0.060 0.000 1.134 89 F CA -0.796 57.166 58.000 -0.064 0.000 1.222 89 F CB 0.048 39.015 39.000 -0.054 0.000 1.034 89 F HN 0.095 nan 8.300 nan 0.000 0.516 90 N N 1.802 120.512 118.700 0.017 0.000 2.705 90 N HA -0.199 4.539 4.740 -0.004 0.000 0.255 90 N C 0.428 175.932 175.510 -0.009 0.000 1.008 90 N CA 0.637 53.687 53.050 -0.000 0.000 0.742 90 N CB -1.201 37.290 38.487 0.006 0.000 0.906 90 N HN 0.447 nan 8.380 nan 0.000 0.541 91 L N -1.171 120.057 121.223 0.008 0.000 2.749 91 L HA 0.276 4.614 4.340 -0.004 0.000 0.242 91 L C 0.504 177.462 176.870 0.147 0.000 1.103 91 L CA 0.218 55.081 54.840 0.039 0.000 0.906 91 L CB 0.347 42.450 42.059 0.073 0.000 1.228 91 L HN 0.101 nan 8.230 nan 0.000 0.517 92 I N 1.297 121.886 120.570 0.031 0.000 2.377 92 I HA 0.350 4.518 4.170 -0.004 0.000 0.293 92 I C -2.139 174.009 176.117 0.052 0.000 0.987 92 I CA -2.575 58.741 61.300 0.028 0.000 1.185 92 I CB 1.194 39.093 38.000 -0.169 0.000 1.341 92 I HN -0.300 nan 8.210 nan 0.000 0.455 93 P HA -0.022 nan 4.420 nan 0.000 0.266 93 P C 0.705 178.089 177.300 0.139 0.000 1.193 93 P CA 0.230 63.408 63.100 0.131 0.000 0.770 93 P CB 0.935 32.744 31.700 0.181 0.000 0.836 94 E N 3.211 123.471 120.200 0.099 0.000 2.107 94 E HA -0.193 4.155 4.350 -0.004 0.000 0.191 94 E C 1.158 177.820 176.600 0.103 0.000 0.982 94 E CA 1.571 58.017 56.400 0.077 0.000 0.809 94 E CB -0.645 29.081 29.700 0.043 0.000 0.756 94 E HN 0.401 nan 8.360 nan 0.000 0.459 95 N N -0.293 118.482 118.700 0.126 0.000 2.449 95 N HA -0.102 4.636 4.740 -0.004 0.000 0.191 95 N C 1.247 176.853 175.510 0.159 0.000 1.161 95 N CA 0.375 53.505 53.050 0.133 0.000 0.863 95 N CB -1.119 37.447 38.487 0.133 0.000 0.980 95 N HN 0.333 nan 8.380 nan 0.000 0.458 96 W N 1.780 123.091 121.300 0.019 0.000 2.325 96 W HA 0.012 4.670 4.660 -0.005 0.000 0.299 96 W C 0.724 177.272 176.519 0.049 0.000 1.215 96 W CA 2.378 59.748 57.345 0.041 0.000 1.244 96 W CB -0.112 29.377 29.460 0.047 0.000 1.140 96 W HN 0.338 nan 8.180 nan 0.000 0.523 97 G N -2.627 106.150 108.800 -0.038 0.000 2.353 97 G HA2 0.409 4.366 3.960 -0.004 0.000 0.424 97 G HA3 0.409 4.366 3.960 -0.004 0.000 0.424 97 G C 0.140 175.008 174.900 -0.053 0.000 1.320 97 G CA -0.132 44.793 45.100 -0.292 0.000 0.995 97 G HN 1.097 nan 8.290 nan 0.000 0.580 98 G N -1.877 106.905 108.800 -0.030 0.000 2.155 98 G HA2 0.116 4.074 3.960 -0.004 0.000 0.130 98 G HA3 0.116 4.074 3.960 -0.004 0.000 0.130 98 G C 0.222 175.043 174.900 -0.132 0.000 1.027 98 G CA 0.290 45.378 45.100 -0.021 0.000 0.705 98 G HN 1.463 nan 8.290 nan 0.000 0.496 99 Y N -0.485 119.835 120.300 0.032 0.000 2.597 99 Y HA 0.314 4.862 4.550 -0.004 0.000 0.336 99 Y C 1.523 177.411 175.900 -0.021 0.000 1.216 99 Y CA 0.740 58.843 58.100 0.005 0.000 1.463 99 Y CB 1.418 39.899 38.460 0.035 0.000 1.303 99 Y HN -0.032 nan 8.280 nan 0.000 0.576 100 V N 2.173 122.115 119.914 0.047 0.000 3.643 100 V HA -0.111 4.006 4.120 -0.004 0.000 0.280 100 V C 1.753 177.875 176.094 0.048 0.000 1.351 100 V CA 1.299 63.528 62.300 -0.120 0.000 1.073 100 V CB -0.320 31.117 31.823 -0.644 0.000 0.863 100 V HN 1.100 nan 8.190 nan 0.000 0.436 101 T N -0.825 113.774 114.554 0.074 0.000 2.708 101 T HA -0.072 4.276 4.350 -0.004 0.000 0.266 101 T C -0.045 174.672 174.700 0.027 0.000 1.037 101 T CA 1.584 63.712 62.100 0.046 0.000 1.146 101 T CB -1.552 67.331 68.868 0.025 0.000 0.865 101 T HN 0.388 nan 8.240 nan 0.000 0.435 102 P HA -0.052 nan 4.420 nan 0.000 0.216 102 P C 0.742 177.898 177.300 -0.241 0.000 1.150 102 P CA 1.154 64.146 63.100 -0.181 0.000 0.843 102 P CB -0.338 31.177 31.700 -0.307 0.000 0.787 103 W N -0.450 120.843 121.300 -0.012 0.000 2.388 103 W HA -0.083 4.574 4.660 -0.005 0.000 0.294 103 W C 2.324 178.874 176.519 0.051 0.000 1.212 103 W CA 0.978 58.335 57.345 0.020 0.000 1.271 103 W CB -1.313 28.159 29.460 0.020 0.000 1.126 103 W HN -0.167 nan 8.180 nan 0.000 0.535 104 V N -0.331 119.723 119.914 0.233 0.000 2.719 104 V HA -0.155 3.963 4.120 -0.004 0.000 0.252 104 V C 1.976 178.121 176.094 0.086 0.000 1.065 104 V CA 2.275 64.680 62.300 0.174 0.000 1.086 104 V CB -1.103 30.814 31.823 0.156 0.000 0.700 104 V HN 0.240 nan 8.190 nan 0.000 0.467 105 T N -2.081 112.495 114.554 0.037 0.000 2.951 105 T HA -0.096 4.251 4.350 -0.004 0.000 0.268 105 T C 1.715 176.414 174.700 -0.002 0.000 1.073 105 T CA 1.471 63.573 62.100 0.004 0.000 1.134 105 T CB -0.266 68.588 68.868 -0.022 0.000 0.884 105 T HN 0.570 nan 8.240 nan 0.000 0.479 106 E N 1.429 121.625 120.200 -0.007 0.000 2.072 106 E HA 0.064 4.411 4.350 -0.004 0.000 0.190 106 E C 1.974 178.605 176.600 0.052 0.000 0.982 106 E CA 0.770 57.167 56.400 -0.004 0.000 0.803 106 E CB -0.582 29.081 29.700 -0.061 0.000 0.755 106 E HN 0.619 nan 8.360 nan 0.000 0.453 107 I N 0.147 120.778 120.570 0.101 0.000 2.208 107 I HA -0.284 3.884 4.170 -0.004 0.000 0.245 107 I C 2.467 178.618 176.117 0.058 0.000 1.097 107 I CA 1.345 62.703 61.300 0.098 0.000 1.363 107 I CB -0.473 37.604 38.000 0.128 0.000 1.051 107 I HN 0.155 nan 8.210 nan 0.000 0.413 108 S N 0.729 116.457 115.700 0.047 0.000 2.400 108 S HA -0.203 4.264 4.470 -0.004 0.000 0.232 108 S C 1.625 176.235 174.600 0.017 0.000 1.025 108 S CA 2.103 60.318 58.200 0.025 0.000 0.993 108 S CB -0.390 62.819 63.200 0.016 0.000 0.808 108 S HN 0.534 nan 8.310 nan 0.000 0.478 109 N N -0.553 118.157 118.700 0.017 0.000 2.454 109 N HA 0.185 4.923 4.740 -0.004 0.000 0.177 109 N C 0.756 176.275 175.510 0.015 0.000 1.049 109 N CA 0.482 53.538 53.050 0.010 0.000 0.887 109 N CB 0.216 38.703 38.487 0.001 0.000 1.095 109 N HN 0.303 nan 8.380 nan 0.000 0.446 110 N N -0.050 118.664 118.700 0.024 0.000 2.211 110 N HA 0.184 4.921 4.740 -0.004 0.000 0.216 110 N C -0.391 175.144 175.510 0.042 0.000 1.240 110 N CA 0.165 53.233 53.050 0.029 0.000 0.895 110 N CB 1.230 39.733 38.487 0.026 0.000 1.102 110 N HN 0.048 nan 8.380 nan 0.000 0.498 111 L N 1.426 122.679 121.223 0.050 0.000 2.956 111 L HA 0.371 4.709 4.340 -0.004 0.000 0.232 111 L C 0.866 177.758 176.870 0.037 0.000 1.291 111 L CA -0.197 54.675 54.840 0.053 0.000 1.122 111 L CB 0.415 42.518 42.059 0.072 0.000 1.461 111 L HN -0.300 nan 8.230 nan 0.000 0.470 112 R N 0.024 120.541 120.500 0.029 0.000 2.343 112 R HA -0.077 4.261 4.340 -0.004 0.000 0.202 112 R C 1.467 177.776 176.300 0.016 0.000 1.023 112 R CA 0.495 56.607 56.100 0.020 0.000 1.084 112 R CB -0.204 30.106 30.300 0.017 0.000 0.956 112 R HN 0.383 nan 8.270 nan 0.000 0.478 113 Q N -1.041 118.769 119.800 0.017 0.000 2.214 113 Q HA 0.201 4.538 4.340 -0.004 0.000 0.229 113 Q C -0.711 175.291 176.000 0.004 0.000 0.835 113 Q CA -0.184 55.625 55.803 0.010 0.000 0.953 113 Q CB 0.565 29.310 28.738 0.012 0.000 1.131 113 Q HN 0.092 nan 8.270 nan 0.000 0.501 114 L N 2.039 123.265 121.223 0.005 0.000 2.513 114 L HA 0.036 4.374 4.340 -0.004 0.000 0.272 114 L C 0.777 177.639 176.870 -0.013 0.000 1.187 114 L CA 1.063 55.899 54.840 -0.007 0.000 0.895 114 L CB 0.662 42.720 42.059 -0.001 0.000 1.147 114 L HN 0.221 nan 8.230 nan 0.000 0.483 115 K N 1.421 121.809 120.400 -0.021 0.000 2.402 115 K HA 0.253 4.570 4.320 -0.004 0.000 0.203 115 K C 0.132 176.711 176.600 -0.036 0.000 1.077 115 K CA -0.068 56.205 56.287 -0.023 0.000 1.051 115 K CB 0.539 33.029 32.500 -0.016 0.000 0.907 115 K HN 0.426 nan 8.250 nan 0.000 0.554 116 S N 0.607 116.278 115.700 -0.049 0.000 2.572 116 S HA 0.477 4.945 4.470 -0.004 0.000 0.274 116 S C -1.506 173.026 174.600 -0.113 0.000 1.150 116 S CA -0.558 57.600 58.200 -0.069 0.000 0.944 116 S CB 1.893 65.071 63.200 -0.037 0.000 1.071 116 S HN 0.027 nan 8.310 nan 0.000 0.479 117 V N 5.037 124.840 119.914 -0.186 0.000 2.638 117 V HA 0.537 4.654 4.120 -0.004 0.000 0.306 117 V C -0.668 175.190 176.094 -0.392 0.000 1.052 117 V CA -0.680 61.419 62.300 -0.335 0.000 0.885 117 V CB 1.682 33.205 31.823 -0.501 0.000 0.999 117 V HN 1.010 nan 8.190 nan 0.000 0.424 118 H N 4.460 123.237 119.070 -0.489 0.000 2.800 118 H HA 0.613 5.167 4.556 -0.003 0.000 0.322 118 H C -1.649 173.474 175.328 -0.342 0.000 0.979 118 H CA -0.742 55.093 56.048 -0.355 0.000 1.277 118 H CB 0.907 30.570 29.762 -0.165 0.000 1.484 118 H HN 0.487 nan 8.280 nan 0.000 0.512 119 F N 3.603 123.671 119.950 0.198 0.000 2.404 119 F HA 0.417 4.941 4.527 -0.004 0.000 0.339 119 F C 0.352 176.244 175.800 0.153 0.000 1.105 119 F CA -0.787 57.256 58.000 0.072 0.000 1.087 119 F CB 1.405 40.402 39.000 -0.006 0.000 1.143 119 F HN 0.467 nan 8.300 nan 0.000 0.491 120 R N 2.439 123.063 120.500 0.206 0.000 2.476 120 R HA 0.499 4.836 4.340 -0.004 0.000 0.305 120 R C -0.211 176.110 176.300 0.035 0.000 0.965 120 R CA -0.641 55.524 56.100 0.108 0.000 0.867 120 R CB 0.761 31.044 30.300 -0.027 0.000 1.176 120 R HN 0.741 nan 8.270 nan 0.000 0.447 121 R N 3.104 123.627 120.500 0.039 0.000 3.333 121 R HA -0.195 4.143 4.340 -0.004 0.000 0.256 121 R C -0.563 175.745 176.300 0.013 0.000 1.010 121 R CA 1.048 57.150 56.100 0.004 0.000 0.680 121 R CB -1.269 29.003 30.300 -0.046 0.000 1.102 121 R HN 0.584 nan 8.270 nan 0.000 0.440 122 M N 0.340 119.954 119.600 0.023 0.000 2.821 122 M HA 0.503 4.980 4.480 -0.004 0.000 0.304 122 M C 0.380 176.662 176.300 -0.031 0.000 1.233 122 M CA -1.101 54.179 55.300 -0.032 0.000 0.851 122 M CB 1.614 34.142 32.600 -0.118 0.000 1.723 122 M HN -0.079 nan 8.290 nan 0.000 0.493 123 I N 2.614 123.126 120.570 -0.097 0.000 2.297 123 I HA 0.315 4.483 4.170 -0.004 0.000 0.291 123 I C -0.632 175.482 176.117 -0.004 0.000 1.033 123 I CA -0.502 60.765 61.300 -0.055 0.000 1.253 123 I CB 0.451 38.323 38.000 -0.213 0.000 1.396 123 I HN 0.263 nan 8.210 nan 0.000 0.476 124 V N 5.776 125.744 119.914 0.091 0.000 2.378 124 V HA 0.323 4.440 4.120 -0.004 0.000 0.288 124 V C 0.507 176.718 176.094 0.194 0.000 1.016 124 V CA -0.524 61.812 62.300 0.061 0.000 0.840 124 V CB 1.667 33.466 31.823 -0.039 0.000 0.994 124 V HN 0.892 nan 8.190 nan 0.000 0.431 125 S N 1.963 117.742 115.700 0.132 0.000 2.646 125 S HA 0.330 4.798 4.470 -0.004 0.000 0.276 125 S C 0.640 175.317 174.600 0.129 0.000 1.222 125 S CA -0.517 57.774 58.200 0.151 0.000 1.014 125 S CB 1.594 64.862 63.200 0.113 0.000 0.991 125 S HN 0.608 nan 8.310 nan 0.000 0.533 126 D N 0.330 120.813 120.400 0.138 0.000 2.149 126 D HA -0.083 4.555 4.640 -0.004 0.000 0.198 126 D C 1.700 178.040 176.300 0.066 0.000 0.990 126 D CA 1.058 55.124 54.000 0.110 0.000 0.839 126 D CB -0.357 40.504 40.800 0.101 0.000 0.948 126 D HN 0.491 nan 8.370 nan 0.000 0.460 127 L N 1.364 122.621 121.223 0.057 0.000 2.005 127 L HA -0.171 4.167 4.340 -0.004 0.000 0.207 127 L C 1.519 178.406 176.870 0.029 0.000 1.072 127 L CA 2.119 56.980 54.840 0.036 0.000 0.744 127 L CB -0.885 41.192 42.059 0.030 0.000 0.895 127 L HN -0.012 nan 8.230 nan 0.000 0.433 128 D N -0.290 120.130 120.400 0.035 0.000 2.218 128 D HA -0.241 4.397 4.640 -0.004 0.000 0.204 128 D C 2.022 178.342 176.300 0.033 0.000 0.976 128 D CA 1.875 55.893 54.000 0.030 0.000 0.853 128 D CB -0.799 40.017 40.800 0.028 0.000 0.939 128 D HN 0.611 nan 8.370 nan 0.000 0.481 129 L N -1.896 119.341 121.223 0.024 0.000 2.375 129 L HA 0.231 4.569 4.340 -0.004 0.000 0.215 129 L C 1.788 178.660 176.870 0.004 0.000 1.108 129 L CA 1.125 55.973 54.840 0.013 0.000 0.830 129 L CB -0.509 41.529 42.059 -0.035 0.000 0.959 129 L HN -0.184 nan 8.230 nan 0.000 0.457 130 D N 0.909 121.314 120.400 0.008 0.000 2.123 130 D HA -0.229 4.409 4.640 -0.004 0.000 0.196 130 D C 2.327 178.596 176.300 -0.052 0.000 0.992 130 D CA 1.653 55.647 54.000 -0.010 0.000 0.833 130 D CB 0.102 40.907 40.800 0.007 0.000 0.954 130 D HN 0.260 nan 8.370 nan 0.000 0.455 131 R N -0.145 120.340 120.500 -0.025 0.000 2.081 131 R HA -0.078 4.259 4.340 -0.004 0.000 0.235 131 R C 2.463 178.748 176.300 -0.026 0.000 1.131 131 R CA 0.828 56.910 56.100 -0.029 0.000 0.960 131 R CB -0.513 29.786 30.300 -0.002 0.000 0.856 131 R HN 0.323 nan 8.270 nan 0.000 0.436 132 L N 0.403 121.629 121.223 0.005 0.000 1.970 132 L HA -0.217 4.121 4.340 -0.004 0.000 0.212 132 L C 2.415 179.276 176.870 -0.015 0.000 1.071 132 L CA 1.819 56.672 54.840 0.021 0.000 0.751 132 L CB -0.660 41.435 42.059 0.060 0.000 0.889 132 L HN 0.255 nan 8.230 nan 0.000 0.432 133 A N 0.160 122.961 122.820 -0.032 0.000 1.873 133 A HA -0.300 4.018 4.320 -0.004 0.000 0.218 133 A C 2.226 179.740 177.584 -0.117 0.000 1.193 133 A CA 2.352 54.365 52.037 -0.040 0.000 0.629 133 A CB -0.546 18.453 19.000 -0.002 0.000 0.826 133 A HN 0.479 nan 8.150 nan 0.000 0.447 134 K N -0.496 119.747 120.400 -0.262 0.000 2.026 134 K HA -0.034 4.283 4.320 -0.004 0.000 0.208 134 K C 2.336 178.871 176.600 -0.109 0.000 1.048 134 K CA 1.154 57.271 56.287 -0.285 0.000 0.929 134 K CB -0.374 31.936 32.500 -0.317 0.000 0.713 134 K HN 0.449 nan 8.250 nan 0.000 0.439 135 A N 1.114 123.892 122.820 -0.070 0.000 1.940 135 A HA -0.164 4.154 4.320 -0.004 0.000 0.219 135 A C 2.091 179.666 177.584 -0.014 0.000 1.176 135 A CA 1.709 53.728 52.037 -0.029 0.000 0.631 135 A CB -0.203 18.790 19.000 -0.011 0.000 0.814 135 A HN 0.101 nan 8.150 nan 0.000 0.446 136 R N -2.436 118.057 120.500 -0.012 0.000 2.316 136 R HA 0.465 4.802 4.340 -0.004 0.000 0.201 136 R C 1.287 177.590 176.300 0.005 0.000 0.888 136 R CA 0.997 57.097 56.100 -0.001 0.000 1.041 136 R CB -0.368 29.932 30.300 0.000 0.000 1.115 136 R HN 0.612 nan 8.270 nan 0.000 0.559 137 A N 0.906 123.732 122.820 0.010 0.000 5.393 137 A HA -0.413 3.905 4.320 -0.004 0.000 0.342 137 A C 1.308 178.913 177.584 0.034 0.000 1.698 137 A CA 2.012 54.073 52.037 0.039 0.000 0.727 137 A CB -1.623 17.404 19.000 0.045 0.000 1.446 137 A HN 0.393 nan 8.150 nan 0.000 0.408 138 D N -0.468 119.951 120.400 0.033 0.000 2.221 138 D HA -0.049 4.589 4.640 -0.004 0.000 0.204 138 D C 1.358 177.666 176.300 0.014 0.000 0.982 138 D CA 1.553 55.567 54.000 0.023 0.000 0.857 138 D CB -0.458 40.354 40.800 0.020 0.000 0.934 138 D HN 0.504 nan 8.370 nan 0.000 0.475 139 D N -0.340 120.066 120.400 0.010 0.000 2.264 139 D HA -0.069 4.569 4.640 -0.004 0.000 0.208 139 D C 0.669 176.967 176.300 -0.003 0.000 0.966 139 D CA 0.088 54.090 54.000 0.003 0.000 0.864 139 D CB -0.112 40.690 40.800 0.002 0.000 0.933 139 D HN 0.166 nan 8.370 nan 0.000 0.499 140 L N 1.590 122.812 121.223 -0.002 0.000 2.515 140 L HA 0.025 4.363 4.340 -0.004 0.000 0.281 140 L C 1.097 177.959 176.870 -0.013 0.000 1.131 140 L CA 0.395 55.227 54.840 -0.014 0.000 0.905 140 L CB 0.243 42.293 42.059 -0.015 0.000 1.246 140 L HN -0.096 nan 8.230 nan 0.000 0.463 141 E N 1.551 121.739 120.200 -0.019 0.000 2.190 141 E HA 0.009 4.356 4.350 -0.004 0.000 0.191 141 E C 0.223 176.808 176.600 -0.025 0.000 0.978 141 E CA 0.745 57.135 56.400 -0.016 0.000 0.839 141 E CB 0.413 30.104 29.700 -0.016 0.000 0.787 141 E HN 0.662 nan 8.360 nan 0.000 0.473 142 T N -0.108 114.421 114.554 -0.042 0.000 2.933 142 T HA 0.490 4.838 4.350 -0.004 0.000 0.305 142 T C -1.889 172.753 174.700 -0.098 0.000 1.092 142 T CA -0.882 61.182 62.100 -0.060 0.000 1.008 142 T CB 1.496 70.329 68.868 -0.058 0.000 1.102 142 T HN -0.019 nan 8.240 nan 0.000 0.469 143 L N 3.581 124.735 121.223 -0.115 0.000 2.439 143 L HA 0.670 5.008 4.340 -0.004 0.000 0.270 143 L C -1.266 175.487 176.870 -0.194 0.000 0.972 143 L CA -0.346 54.393 54.840 -0.169 0.000 0.836 143 L CB 1.674 43.651 42.059 -0.138 0.000 1.255 143 L HN 0.723 nan 8.230 nan 0.000 0.404 144 K N 6.982 127.217 120.400 -0.275 0.000 2.464 144 K HA 0.464 4.782 4.320 -0.004 0.000 0.252 144 K C -1.030 175.442 176.600 -0.213 0.000 1.000 144 K CA -0.500 55.595 56.287 -0.320 0.000 0.951 144 K CB 1.416 33.512 32.500 -0.673 0.000 1.183 144 K HN 0.596 nan 8.250 nan 0.000 0.445 145 L N 3.193 124.354 121.223 -0.104 0.000 2.387 145 L HA 0.125 4.463 4.340 -0.004 0.000 0.267 145 L C 0.015 176.931 176.870 0.078 0.000 1.197 145 L CA -0.426 54.423 54.840 0.014 0.000 1.070 145 L CB -0.264 41.754 42.059 -0.069 0.000 1.349 145 L HN 0.494 nan 8.230 nan 0.000 0.422 146 D N 4.718 125.174 120.400 0.094 0.000 2.380 146 D HA 0.108 4.745 4.640 -0.004 0.000 0.230 146 D C 0.350 176.722 176.300 0.120 0.000 1.154 146 D CA -0.251 53.811 54.000 0.103 0.000 0.859 146 D CB 0.512 41.425 40.800 0.188 0.000 1.045 146 D HN 0.307 nan 8.370 nan 0.000 0.495 147 K N 1.732 122.190 120.400 0.097 0.000 3.077 147 K HA -0.173 4.144 4.320 -0.004 0.000 0.264 147 K C -0.291 176.360 176.600 0.084 0.000 1.008 147 K CA 0.381 56.704 56.287 0.060 0.000 0.740 147 K CB -2.356 30.151 32.500 0.010 0.000 1.273 147 K HN 0.416 nan 8.250 nan 0.000 0.477 148 C N -0.005 119.393 119.300 0.163 0.000 2.354 148 C HA 0.754 5.212 4.460 -0.004 0.000 0.381 148 C C 1.029 176.161 174.990 0.238 0.000 1.240 148 C CA -0.286 58.849 59.018 0.195 0.000 2.089 148 C CB 1.548 29.434 27.740 0.244 0.000 2.234 148 C HN 0.619 nan 8.230 nan 0.000 0.544 149 S N -1.340 114.485 115.700 0.210 0.000 2.651 149 S HA 0.781 5.248 4.470 -0.004 0.000 0.279 149 S C 0.021 174.721 174.600 0.165 0.000 1.148 149 S CA 0.284 58.543 58.200 0.098 0.000 0.837 149 S CB 1.182 64.382 63.200 -0.000 0.000 1.138 149 S HN 2.516 nan 8.310 nan 0.000 0.478 150 G N -0.003 108.816 108.800 0.033 0.000 2.159 150 G HA2 -0.119 3.839 3.960 -0.004 0.000 0.227 150 G HA3 -0.119 3.839 3.960 -0.004 0.000 0.227 150 G C -0.234 174.772 174.900 0.178 0.000 0.986 150 G CA 0.281 45.438 45.100 0.096 0.000 0.651 150 G HN 1.559 nan 8.290 nan 0.000 0.523 151 F N -0.034 119.957 119.950 0.069 0.000 2.697 151 F HA 0.953 5.478 4.527 -0.004 0.000 0.386 151 F C 0.379 176.225 175.800 0.077 0.000 1.154 151 F CA -0.370 57.663 58.000 0.055 0.000 1.108 151 F CB 1.139 40.156 39.000 0.029 0.000 1.429 151 F HN 0.546 nan 8.300 nan 0.000 0.509 152 T N -4.072 110.602 114.554 0.201 0.000 2.754 152 T HA 0.276 4.624 4.350 -0.004 0.000 0.296 152 T C 0.714 175.452 174.700 0.063 0.000 1.205 152 T CA 0.000 62.137 62.100 0.061 0.000 1.009 152 T CB 0.740 69.646 68.868 0.062 0.000 1.368 152 T HN 1.065 nan 8.240 nan 0.000 0.509 153 T N -1.171 113.379 114.554 -0.006 0.000 2.849 153 T HA -0.119 4.229 4.350 -0.004 0.000 0.270 153 T C 1.162 175.889 174.700 0.046 0.000 1.066 153 T CA 1.944 64.027 62.100 -0.029 0.000 1.130 153 T CB -0.959 67.988 68.868 0.132 0.000 0.864 153 T HN 0.608 nan 8.240 nan 0.000 0.481 154 D N 1.855 122.300 120.400 0.075 0.000 2.104 154 D HA -0.001 4.636 4.640 -0.004 0.000 0.194 154 D C 2.443 178.787 176.300 0.073 0.000 0.994 154 D CA 1.511 55.560 54.000 0.081 0.000 0.830 154 D CB -1.132 39.714 40.800 0.077 0.000 0.959 154 D HN 0.565 nan 8.370 nan 0.000 0.452 155 G N 1.179 110.025 108.800 0.077 0.000 2.514 155 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.217 155 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.217 155 G C 1.757 176.651 174.900 -0.009 0.000 1.198 155 G CA 0.814 45.943 45.100 0.048 0.000 0.780 155 G HN 0.260 nan 8.290 nan 0.000 0.565 156 L N -0.355 120.823 121.223 -0.076 0.000 1.997 156 L HA -0.157 4.181 4.340 -0.004 0.000 0.216 156 L C 2.797 179.677 176.870 0.017 0.000 1.074 156 L CA 1.103 55.839 54.840 -0.173 0.000 0.763 156 L CB -0.694 41.034 42.059 -0.551 0.000 0.890 156 L HN 0.230 nan 8.230 nan 0.000 0.434 157 L N -0.386 120.897 121.223 0.100 0.000 2.079 157 L HA -0.237 4.101 4.340 -0.004 0.000 0.210 157 L C 2.770 179.710 176.870 0.117 0.000 1.081 157 L CA 1.998 56.934 54.840 0.159 0.000 0.752 157 L CB -0.743 41.407 42.059 0.151 0.000 0.896 157 L HN 0.180 nan 8.230 nan 0.000 0.433 158 S N -0.684 115.084 115.700 0.113 0.000 2.368 158 S HA -0.170 4.297 4.470 -0.004 0.000 0.225 158 S C 2.020 176.743 174.600 0.204 0.000 1.030 158 S CA 1.544 59.852 58.200 0.180 0.000 0.999 158 S CB -0.487 62.800 63.200 0.146 0.000 0.844 158 S HN 0.609 nan 8.310 nan 0.000 0.459 159 I N 0.357 120.988 120.570 0.102 0.000 2.716 159 I HA 0.070 4.237 4.170 -0.004 0.000 0.259 159 I C 1.872 178.041 176.117 0.087 0.000 1.172 159 I CA 0.895 62.245 61.300 0.083 0.000 1.478 159 I CB -0.344 37.662 38.000 0.011 0.000 1.104 159 I HN 0.206 nan 8.210 nan 0.000 0.439 160 V N -0.554 119.417 119.914 0.096 0.000 2.871 160 V HA -0.053 4.065 4.120 -0.004 0.000 0.256 160 V C 2.454 178.580 176.094 0.052 0.000 1.082 160 V CA 1.600 63.960 62.300 0.100 0.000 1.105 160 V CB -1.865 30.058 31.823 0.167 0.000 0.713 160 V HN 0.659 nan 8.190 nan 0.000 0.473 161 T N -2.165 112.396 114.554 0.012 0.000 2.976 161 T HA -0.018 4.330 4.350 -0.004 0.000 0.257 161 T C 1.723 176.316 174.700 -0.178 0.000 1.051 161 T CA 1.460 63.488 62.100 -0.120 0.000 1.141 161 T CB -0.536 68.205 68.868 -0.212 0.000 0.881 161 T HN 0.576 nan 8.240 nan 0.000 0.461 162 H N -0.277 118.792 119.070 -0.003 0.000 2.520 162 H HA 0.373 4.927 4.556 -0.004 0.000 0.279 162 H C 0.462 175.787 175.328 -0.005 0.000 0.990 162 H CA 0.229 56.273 56.048 -0.007 0.000 1.288 162 H CB 0.194 29.956 29.762 -0.001 0.000 1.446 162 H HN 0.344 nan 8.280 nan 0.000 0.538 163 C N 2.421 121.792 119.300 0.119 0.000 2.125 163 C HA 0.245 4.703 4.460 -0.004 0.000 0.355 163 C C 1.260 176.276 174.990 0.042 0.000 1.047 163 C CA -0.552 58.505 59.018 0.065 0.000 1.501 163 C CB -0.779 26.991 27.740 0.049 0.000 1.783 163 C HN 0.561 nan 8.230 nan 0.000 0.455 164 R N 0.855 121.373 120.500 0.030 0.000 2.299 164 R HA 0.014 4.352 4.340 -0.004 0.000 0.197 164 R C 1.149 177.466 176.300 0.027 0.000 0.971 164 R CA 0.623 56.735 56.100 0.021 0.000 1.030 164 R CB 0.205 30.507 30.300 0.003 0.000 0.932 164 R HN 0.600 nan 8.270 nan 0.000 0.477 165 K N 0.816 121.231 120.400 0.024 0.000 2.414 165 K HA 0.273 4.591 4.320 -0.004 0.000 0.204 165 K C -0.015 176.595 176.600 0.017 0.000 1.026 165 K CA -0.214 56.084 56.287 0.020 0.000 1.108 165 K CB 0.653 33.161 32.500 0.014 0.000 0.855 165 K HN 0.035 nan 8.250 nan 0.000 0.517 166 I N 2.275 122.858 120.570 0.022 0.000 2.919 166 I HA -0.208 3.959 4.170 -0.004 0.000 0.299 166 I C 1.186 177.313 176.117 0.017 0.000 1.221 166 I CA 0.933 62.244 61.300 0.017 0.000 1.424 166 I CB 0.367 38.383 38.000 0.027 0.000 1.358 166 I HN 0.178 nan 8.210 nan 0.000 0.551 167 K N 3.030 123.434 120.400 0.005 0.000 2.202 167 K HA 0.019 4.337 4.320 -0.004 0.000 0.201 167 K C 0.757 177.359 176.600 0.003 0.000 1.051 167 K CA 0.732 57.021 56.287 0.004 0.000 0.977 167 K CB 0.274 32.772 32.500 -0.005 0.000 0.792 167 K HN 0.728 nan 8.250 nan 0.000 0.469 168 T N 0.350 114.900 114.554 -0.008 0.000 2.879 168 T HA 0.496 4.844 4.350 -0.004 0.000 0.290 168 T C -1.750 172.938 174.700 -0.019 0.000 0.993 168 T CA -0.857 61.235 62.100 -0.013 0.000 0.975 168 T CB 1.179 70.028 68.868 -0.031 0.000 0.981 168 T HN -0.026 nan 8.240 nan 0.000 0.439 169 L N 5.605 126.831 121.223 0.004 0.000 2.406 169 L HA 0.867 5.205 4.340 -0.004 0.000 0.272 169 L C -1.836 175.048 176.870 0.024 0.000 0.980 169 L CA -0.698 54.147 54.840 0.009 0.000 0.831 169 L CB 1.633 43.728 42.059 0.060 0.000 1.253 169 L HN 0.860 nan 8.230 nan 0.000 0.406 170 L N 5.197 126.408 121.223 -0.019 0.000 2.431 170 L HA 0.581 4.919 4.340 -0.004 0.000 0.266 170 L C -0.598 176.289 176.870 0.030 0.000 0.978 170 L CA -0.333 54.510 54.840 0.005 0.000 0.822 170 L CB 2.216 44.233 42.059 -0.070 0.000 1.310 170 L HN 0.890 nan 8.230 nan 0.000 0.409 171 M N 2.442 122.124 119.600 0.136 0.000 2.327 171 M HA 0.224 4.702 4.480 -0.004 0.000 0.365 171 M C 0.051 176.499 176.300 0.246 0.000 0.992 171 M CA -0.155 55.271 55.300 0.211 0.000 0.985 171 M CB 0.758 33.546 32.600 0.314 0.000 1.673 171 M HN 0.579 nan 8.290 nan 0.000 0.586 172 E N 2.710 123.019 120.200 0.181 0.000 2.820 172 E HA -0.212 4.136 4.350 -0.004 0.000 0.251 172 E C 0.255 176.927 176.600 0.119 0.000 0.944 172 E CA 0.916 57.415 56.400 0.166 0.000 0.955 172 E CB 0.227 30.007 29.700 0.134 0.000 0.904 172 E HN 0.396 nan 8.360 nan 0.000 0.513 173 E N 1.667 121.914 120.200 0.078 0.000 3.673 173 E HA -0.226 4.122 4.350 -0.004 0.000 0.309 173 E C -0.858 175.747 176.600 0.008 0.000 0.819 173 E CA 0.683 57.080 56.400 -0.005 0.000 1.111 173 E CB -0.865 28.820 29.700 -0.025 0.000 1.561 173 E HN 0.438 nan 8.360 nan 0.000 0.450 174 S N -0.049 115.718 115.700 0.112 0.000 2.592 174 S HA 0.381 4.848 4.470 -0.004 0.000 0.271 174 S C -0.236 174.329 174.600 -0.057 0.000 1.326 174 S CA 0.029 58.325 58.200 0.160 0.000 1.024 174 S CB 1.425 64.895 63.200 0.449 0.000 0.921 174 S HN 0.389 nan 8.310 nan 0.000 0.527 175 S N 2.365 117.950 115.700 -0.190 0.000 2.502 175 S HA 0.851 5.319 4.470 -0.004 0.000 0.304 175 S C -0.702 173.505 174.600 -0.655 0.000 1.097 175 S CA -0.819 57.040 58.200 -0.568 0.000 1.045 175 S CB 0.504 63.469 63.200 -0.392 0.000 1.019 175 S HN 0.618 nan 8.310 nan 0.000 0.481 176 F N -0.982 118.619 119.950 -0.581 0.000 2.754 176 F HA 0.801 5.326 4.527 -0.004 0.000 0.320 176 F C -0.504 175.031 175.800 -0.441 0.000 1.156 176 F CA -1.283 56.272 58.000 -0.742 0.000 0.950 176 F CB 0.943 39.250 39.000 -1.155 0.000 1.388 176 F HN 0.415 nan 8.300 nan 0.000 0.485 177 S N 0.334 116.023 115.700 -0.018 0.000 2.429 177 S HA 0.243 4.710 4.470 -0.004 0.000 0.302 177 S C -0.758 173.915 174.600 0.122 0.000 1.115 177 S CA -0.567 57.631 58.200 -0.003 0.000 1.095 177 S CB 0.713 63.902 63.200 -0.019 0.000 0.987 177 S HN 0.599 nan 8.310 nan 0.000 0.474 178 E N 3.053 123.316 120.200 0.106 0.000 2.046 178 E HA 0.203 4.551 4.350 -0.004 0.000 0.279 178 E C 0.187 176.855 176.600 0.115 0.000 0.989 178 E CA -0.230 56.269 56.400 0.163 0.000 0.798 178 E CB 0.368 30.177 29.700 0.182 0.000 1.086 178 E HN 0.505 nan 8.360 nan 0.000 0.399 179 K N 2.862 123.334 120.400 0.120 0.000 2.334 179 K HA 0.072 4.390 4.320 -0.004 0.000 0.195 179 K C -0.301 176.361 176.600 0.104 0.000 1.045 179 K CA 0.628 56.970 56.287 0.091 0.000 1.004 179 K CB 0.329 32.875 32.500 0.076 0.000 0.837 179 K HN 0.572 nan 8.250 nan 0.000 0.510 180 D N -2.986 117.506 120.400 0.154 0.000 3.010 180 D HA 0.097 4.734 4.640 -0.004 0.000 0.353 180 D C 0.110 176.531 176.300 0.202 0.000 1.415 180 D CA -0.656 53.429 54.000 0.143 0.000 0.864 180 D CB 0.088 40.946 40.800 0.097 0.000 1.445 180 D HN -0.138 nan 8.370 nan 0.000 0.516 181 G N -1.404 107.454 108.800 0.097 0.000 3.441 181 G HA2 0.082 4.040 3.960 -0.004 0.000 0.263 181 G HA3 0.082 4.040 3.960 -0.004 0.000 0.263 181 G C 0.656 175.472 174.900 -0.141 0.000 1.014 181 G CA -0.125 44.954 45.100 -0.036 0.000 0.833 181 G HN 0.414 nan 8.290 nan 0.000 0.514 182 K N 0.751 121.155 120.400 0.006 0.000 2.152 182 K HA -0.138 4.179 4.320 -0.004 0.000 0.206 182 K C 2.230 178.856 176.600 0.043 0.000 1.048 182 K CA 1.254 57.547 56.287 0.010 0.000 0.933 182 K CB -0.423 32.096 32.500 0.032 0.000 0.721 182 K HN 0.575 nan 8.250 nan 0.000 0.447 183 W N 2.274 123.577 121.300 0.004 0.000 2.317 183 W HA -0.215 4.443 4.660 -0.004 0.000 0.318 183 W C 1.536 178.042 176.519 -0.022 0.000 1.227 183 W CA 0.697 58.032 57.345 -0.016 0.000 1.269 183 W CB -1.134 28.294 29.460 -0.052 0.000 1.155 183 W HN 0.022 nan 8.180 nan 0.000 0.484 184 L N 0.524 120.979 121.223 -1.279 0.000 2.046 184 L HA -0.269 4.068 4.340 -0.004 0.000 0.208 184 L C 3.013 179.639 176.870 -0.407 0.000 1.077 184 L CA 2.529 56.698 54.840 -1.119 0.000 0.747 184 L CB -0.871 40.414 42.059 -1.289 0.000 0.896 184 L HN 0.110 nan 8.230 nan 0.000 0.432 185 H N -0.571 118.290 119.070 -0.347 0.000 2.389 185 H HA -0.245 4.309 4.556 -0.004 0.000 0.299 185 H C 2.116 177.394 175.328 -0.083 0.000 1.081 185 H CA 1.835 57.777 56.048 -0.176 0.000 1.345 185 H CB 0.284 29.967 29.762 -0.131 0.000 1.393 185 H HN 0.278 nan 8.280 nan 0.000 0.520 186 E N 0.261 120.532 120.200 0.119 0.000 2.204 186 E HA -0.119 4.229 4.350 -0.004 0.000 0.195 186 E C 2.073 178.731 176.600 0.097 0.000 0.990 186 E CA 0.895 57.384 56.400 0.149 0.000 0.821 186 E CB -0.304 29.479 29.700 0.138 0.000 0.750 186 E HN 0.584 nan 8.360 nan 0.000 0.477 187 L N -0.347 120.890 121.223 0.023 0.000 2.023 187 L HA -0.091 4.247 4.340 -0.004 0.000 0.205 187 L C 2.463 179.315 176.870 -0.031 0.000 1.073 187 L CA 1.059 55.912 54.840 0.022 0.000 0.745 187 L CB -0.616 41.454 42.059 0.018 0.000 0.900 187 L HN 0.279 nan 8.230 nan 0.000 0.435 188 A N -0.619 122.126 122.820 -0.124 0.000 1.892 188 A HA -0.311 4.007 4.320 -0.004 0.000 0.218 188 A C 2.135 179.600 177.584 -0.198 0.000 1.188 188 A CA 1.940 53.868 52.037 -0.182 0.000 0.631 188 A CB -0.597 18.220 19.000 -0.305 0.000 0.822 188 A HN 0.515 nan 8.150 nan 0.000 0.447 189 Q N -2.339 117.322 119.800 -0.231 0.000 2.297 189 Q HA -0.083 4.255 4.340 -0.004 0.000 0.204 189 Q C 1.118 176.851 176.000 -0.446 0.000 0.962 189 Q CA 1.137 56.749 55.803 -0.319 0.000 0.879 189 Q CB 0.060 28.629 28.738 -0.281 0.000 0.947 189 Q HN 0.859 nan 8.270 nan 0.000 0.462 190 H N -2.489 116.554 119.070 -0.045 0.000 3.643 190 H HA 0.158 4.712 4.556 -0.004 0.000 0.256 190 H C -0.216 175.101 175.328 -0.017 0.000 1.107 190 H CA -0.163 55.870 56.048 -0.025 0.000 1.175 190 H CB 0.628 30.381 29.762 -0.014 0.000 1.519 190 H HN 0.096 nan 8.280 nan 0.000 0.565 191 N N 0.346 119.095 118.700 0.081 0.000 2.509 191 N HA 0.108 4.846 4.740 -0.004 0.000 0.287 191 N C 0.525 176.050 175.510 0.025 0.000 1.121 191 N CA 0.301 53.384 53.050 0.055 0.000 0.977 191 N CB 1.717 40.237 38.487 0.055 0.000 1.167 191 N HN -0.120 nan 8.380 nan 0.000 0.476 192 T N -0.611 113.957 114.554 0.024 0.000 3.048 192 T HA 0.031 4.379 4.350 -0.004 0.000 0.254 192 T C 1.279 175.986 174.700 0.011 0.000 0.942 192 T CA 0.202 62.309 62.100 0.011 0.000 0.931 192 T CB -0.055 68.818 68.868 0.009 0.000 1.220 192 T HN 0.616 nan 8.240 nan 0.000 0.503 193 S N 1.283 116.993 115.700 0.017 0.000 2.496 193 S HA 0.214 4.681 4.470 -0.004 0.000 0.224 193 S C 0.708 175.317 174.600 0.015 0.000 0.996 193 S CA -0.267 57.941 58.200 0.013 0.000 0.927 193 S CB -0.394 62.814 63.200 0.014 0.000 0.774 193 S HN 0.218 nan 8.310 nan 0.000 0.524 194 L N 2.778 124.016 121.223 0.025 0.000 2.706 194 L HA -0.013 4.325 4.340 -0.004 0.000 0.282 194 L C 1.101 177.985 176.870 0.025 0.000 1.219 194 L CA 0.911 55.770 54.840 0.032 0.000 0.935 194 L CB -0.181 41.907 42.059 0.048 0.000 1.204 194 L HN 0.271 nan 8.230 nan 0.000 0.491 195 E N 2.271 122.483 120.200 0.019 0.000 2.306 195 E HA 0.178 4.526 4.350 -0.004 0.000 0.201 195 E C -0.678 175.931 176.600 0.015 0.000 0.874 195 E CA 0.170 56.577 56.400 0.012 0.000 0.972 195 E CB 1.082 30.782 29.700 0.001 0.000 0.957 195 E HN 0.401 nan 8.360 nan 0.000 0.492 196 V N 1.560 121.481 119.914 0.011 0.000 2.623 196 V HA 0.519 4.637 4.120 -0.004 0.000 0.304 196 V C -2.009 174.094 176.094 0.015 0.000 1.054 196 V CA -0.875 61.428 62.300 0.005 0.000 0.882 196 V CB 1.773 33.585 31.823 -0.018 0.000 1.002 196 V HN 0.035 nan 8.190 nan 0.000 0.424 197 L N 5.899 127.132 121.223 0.016 0.000 2.356 197 L HA 0.776 5.114 4.340 -0.004 0.000 0.277 197 L C -0.979 175.863 176.870 -0.047 0.000 0.996 197 L CA -0.013 54.852 54.840 0.041 0.000 0.822 197 L CB 1.838 43.951 42.059 0.089 0.000 1.256 197 L HN 0.869 nan 8.230 nan 0.000 0.413 198 N N 4.583 123.287 118.700 0.006 0.000 2.594 198 N HA 0.336 5.073 4.740 -0.004 0.000 0.280 198 N C -1.601 173.974 175.510 0.109 0.000 1.156 198 N CA -0.448 52.564 53.050 -0.062 0.000 0.831 198 N CB 0.560 39.025 38.487 -0.038 0.000 1.379 198 N HN 0.432 nan 8.380 nan 0.000 0.536 199 F N 2.584 122.616 119.950 0.136 0.000 2.627 199 F HA 0.389 4.913 4.527 -0.004 0.000 0.329 199 F C 0.579 176.519 175.800 0.234 0.000 1.378 199 F CA -0.984 57.155 58.000 0.231 0.000 1.134 199 F CB -0.168 39.043 39.000 0.352 0.000 1.229 199 F HN 0.241 nan 8.300 nan 0.000 0.537 200 Y N 1.663 121.984 120.300 0.036 0.000 2.242 200 Y HA 0.128 4.675 4.550 -0.004 0.000 0.291 200 Y C 0.913 176.795 175.900 -0.030 0.000 1.137 200 Y CA 1.275 59.338 58.100 -0.061 0.000 1.181 200 Y CB 0.193 38.597 38.460 -0.093 0.000 0.989 200 Y HN 0.432 nan 8.280 nan 0.000 0.527 201 M N 1.424 120.966 119.600 -0.096 0.000 3.106 201 M HA 0.227 4.704 4.480 -0.004 0.000 0.213 201 M C -0.870 175.359 176.300 -0.119 0.000 1.117 201 M CA -0.043 55.092 55.300 -0.275 0.000 0.900 201 M CB 0.379 32.805 32.600 -0.291 0.000 1.339 201 M HN 0.150 nan 8.290 nan 0.000 0.542 202 T N -2.334 112.215 114.554 -0.009 0.000 2.952 202 T HA 0.517 4.865 4.350 -0.004 0.000 0.305 202 T C -0.678 173.994 174.700 -0.047 0.000 1.064 202 T CA -1.011 61.088 62.100 -0.002 0.000 1.008 202 T CB 1.562 70.614 68.868 0.306 0.000 1.078 202 T HN 0.277 nan 8.240 nan 0.000 0.459 203 E N 2.990 123.028 120.200 -0.271 0.000 1.893 203 E HA 0.269 4.616 4.350 -0.004 0.000 0.269 203 E C -1.200 175.241 176.600 -0.265 0.000 1.129 203 E CA -0.213 56.054 56.400 -0.221 0.000 0.904 203 E CB -0.064 29.476 29.700 -0.267 0.000 1.077 203 E HN 0.560 nan 8.360 nan 0.000 0.407 204 F N 0.771 120.730 119.950 0.016 0.000 2.426 204 F HA 0.404 4.929 4.527 -0.004 0.000 0.348 204 F C 0.873 176.644 175.800 -0.049 0.000 1.124 204 F CA -0.676 57.340 58.000 0.026 0.000 1.008 204 F CB 1.933 40.908 39.000 -0.041 0.000 1.139 204 F HN 0.464 nan 8.300 nan 0.000 0.452 205 A N 2.817 125.735 122.820 0.163 0.000 2.508 205 A HA 0.252 4.570 4.320 -0.004 0.000 0.250 205 A C 0.970 178.615 177.584 0.102 0.000 1.208 205 A CA -0.139 51.951 52.037 0.088 0.000 0.960 205 A CB 0.028 19.058 19.000 0.050 0.000 1.099 205 A HN 0.707 nan 8.150 nan 0.000 0.542 206 K N 0.717 121.205 120.400 0.147 0.000 2.438 206 K HA 0.324 4.642 4.320 -0.004 0.000 0.205 206 K C -0.099 176.546 176.600 0.075 0.000 1.033 206 K CA -0.038 56.317 56.287 0.114 0.000 1.089 206 K CB 0.368 32.943 32.500 0.125 0.000 0.857 206 K HN 0.687 nan 8.250 nan 0.000 0.522 207 I N -2.169 118.430 120.570 0.050 0.000 2.525 207 I HA 0.385 4.552 4.170 -0.004 0.000 0.301 207 I C -0.182 176.020 176.117 0.141 0.000 0.992 207 I CA -0.823 60.455 61.300 -0.036 0.000 1.162 207 I CB 1.918 39.763 38.000 -0.259 0.000 1.332 207 I HN -0.224 nan 8.210 nan 0.000 0.458 208 S N 5.683 121.432 115.700 0.082 0.000 2.475 208 S HA 0.425 4.893 4.470 -0.004 0.000 0.281 208 S C -1.202 173.418 174.600 0.034 0.000 1.198 208 S CA -1.640 56.617 58.200 0.094 0.000 1.063 208 S CB 0.930 64.149 63.200 0.032 0.000 0.972 208 S HN 0.640 nan 8.310 nan 0.000 0.486 209 P HA -0.168 nan 4.420 nan 0.000 0.217 209 P C 0.994 178.133 177.300 -0.269 0.000 1.148 209 P CA 1.087 63.852 63.100 -0.559 0.000 0.828 209 P CB 0.119 31.404 31.700 -0.691 0.000 0.783 210 K N 0.274 120.588 120.400 -0.143 0.000 2.044 210 K HA -0.171 4.146 4.320 -0.004 0.000 0.210 210 K C 1.748 178.289 176.600 -0.098 0.000 1.049 210 K CA 1.387 57.617 56.287 -0.096 0.000 0.927 210 K CB -1.069 31.399 32.500 -0.055 0.000 0.713 210 K HN 0.233 nan 8.250 nan 0.000 0.443 211 D N 1.037 121.374 120.400 -0.104 0.000 2.123 211 D HA -0.148 4.489 4.640 -0.004 0.000 0.196 211 D C 1.967 178.200 176.300 -0.111 0.000 0.992 211 D CA 0.669 54.583 54.000 -0.143 0.000 0.833 211 D CB -0.155 40.542 40.800 -0.170 0.000 0.954 211 D HN 0.010 nan 8.370 nan 0.000 0.455 212 L N 1.416 122.580 121.223 -0.098 0.000 2.083 212 L HA -0.137 4.201 4.340 -0.004 0.000 0.209 212 L C 2.126 179.043 176.870 0.078 0.000 1.083 212 L CA 1.726 56.532 54.840 -0.057 0.000 0.752 212 L CB -0.577 41.363 42.059 -0.199 0.000 0.899 212 L HN 0.007 nan 8.230 nan 0.000 0.433 213 E N -1.502 118.721 120.200 0.038 0.000 2.072 213 E HA -0.238 4.110 4.350 -0.004 0.000 0.190 213 E C 2.032 178.647 176.600 0.026 0.000 0.982 213 E CA 1.446 57.908 56.400 0.104 0.000 0.803 213 E CB -0.186 29.523 29.700 0.014 0.000 0.755 213 E HN 0.536 nan 8.360 nan 0.000 0.453 214 T N -0.272 114.262 114.554 -0.033 0.000 2.962 214 T HA -0.070 4.278 4.350 -0.004 0.000 0.270 214 T C 1.857 176.526 174.700 -0.050 0.000 1.088 214 T CA 0.937 63.000 62.100 -0.063 0.000 1.127 214 T CB -0.266 68.537 68.868 -0.109 0.000 0.883 214 T HN 0.217 nan 8.240 nan 0.000 0.493 215 I N 0.943 121.501 120.570 -0.019 0.000 2.333 215 I HA 0.036 4.204 4.170 -0.004 0.000 0.246 215 I C 3.064 179.198 176.117 0.029 0.000 1.106 215 I CA 0.963 62.266 61.300 0.004 0.000 1.411 215 I CB -0.555 37.466 38.000 0.036 0.000 1.082 215 I HN 0.342 nan 8.210 nan 0.000 0.420 216 A N 0.672 123.531 122.820 0.065 0.000 1.972 216 A HA -0.230 4.088 4.320 -0.004 0.000 0.219 216 A C 2.348 179.894 177.584 -0.063 0.000 1.169 216 A CA 1.562 53.594 52.037 -0.009 0.000 0.635 216 A CB -0.533 18.385 19.000 -0.137 0.000 0.810 216 A HN 0.290 nan 8.150 nan 0.000 0.446 217 R N -0.432 120.037 120.500 -0.051 0.000 2.073 217 R HA -0.058 4.280 4.340 -0.004 0.000 0.229 217 R C 1.353 177.624 176.300 -0.048 0.000 1.120 217 R CA 1.658 57.722 56.100 -0.059 0.000 0.967 217 R CB -0.115 30.151 30.300 -0.057 0.000 0.862 217 R HN 0.494 nan 8.270 nan 0.000 0.436 218 N N -1.252 117.424 118.700 -0.040 0.000 2.392 218 N HA 0.034 4.771 4.740 -0.004 0.000 0.177 218 N C -0.638 174.859 175.510 -0.022 0.000 1.066 218 N CA 0.415 53.444 53.050 -0.035 0.000 0.895 218 N CB 0.496 38.958 38.487 -0.040 0.000 0.988 218 N HN 0.107 nan 8.380 nan 0.000 0.457 219 C N 1.572 120.863 119.300 -0.015 0.000 2.206 219 C HA 0.388 4.846 4.460 -0.004 0.000 0.324 219 C C 1.554 176.537 174.990 -0.013 0.000 1.120 219 C CA -0.891 58.124 59.018 -0.005 0.000 1.546 219 C CB 0.128 27.876 27.740 0.013 0.000 2.023 219 C HN 0.185 nan 8.230 nan 0.000 0.448 220 R N 1.114 121.604 120.500 -0.017 0.000 2.193 220 R HA -0.037 4.300 4.340 -0.004 0.000 0.229 220 R C 1.699 177.989 176.300 -0.017 0.000 1.110 220 R CA 0.952 57.039 56.100 -0.022 0.000 0.988 220 R CB -0.196 30.092 30.300 -0.020 0.000 0.871 220 R HN 0.597 nan 8.270 nan 0.000 0.458 221 S N 0.109 115.803 115.700 -0.009 0.000 2.583 221 S HA 0.178 4.646 4.470 -0.004 0.000 0.239 221 S C -0.265 174.335 174.600 -0.001 0.000 0.966 221 S CA -0.519 57.677 58.200 -0.007 0.000 0.973 221 S CB 0.031 63.228 63.200 -0.005 0.000 0.794 221 S HN 0.035 nan 8.310 nan 0.000 0.463 222 L N 2.437 123.661 121.223 0.002 0.000 2.456 222 L HA 0.224 4.562 4.340 -0.004 0.000 0.277 222 L C 0.731 177.613 176.870 0.020 0.000 1.124 222 L CA 0.599 55.450 54.840 0.019 0.000 0.880 222 L CB 0.443 42.520 42.059 0.030 0.000 1.192 222 L HN 0.032 nan 8.230 nan 0.000 0.463 223 V N 2.498 122.427 119.914 0.025 0.000 2.908 223 V HA 0.257 4.375 4.120 -0.004 0.000 0.240 223 V C 0.698 176.816 176.094 0.041 0.000 1.117 223 V CA 0.729 63.042 62.300 0.022 0.000 1.133 223 V CB 0.588 32.414 31.823 0.006 0.000 0.857 223 V HN 0.763 nan 8.190 nan 0.000 0.478 224 S N 0.134 115.855 115.700 0.035 0.000 2.521 224 S HA 0.696 5.164 4.470 -0.004 0.000 0.295 224 S C -1.330 173.286 174.600 0.026 0.000 1.098 224 S CA -0.345 57.870 58.200 0.025 0.000 0.999 224 S CB 1.759 64.945 63.200 -0.024 0.000 1.034 224 S HN 0.460 nan 8.310 nan 0.000 0.483 225 V N 4.895 124.825 119.914 0.026 0.000 2.711 225 V HA 0.707 4.824 4.120 -0.004 0.000 0.304 225 V C -1.653 174.239 176.094 -0.337 0.000 1.097 225 V CA -0.594 61.658 62.300 -0.081 0.000 0.906 225 V CB 1.631 33.484 31.823 0.050 0.000 1.015 225 V HN 0.957 nan 8.190 nan 0.000 0.427 226 K N 4.496 124.624 120.400 -0.452 0.000 2.267 226 K HA 0.930 5.248 4.320 -0.004 0.000 0.246 226 K C -1.393 174.827 176.600 -0.635 0.000 0.954 226 K CA -0.854 55.075 56.287 -0.598 0.000 0.824 226 K CB 2.700 34.895 32.500 -0.510 0.000 1.167 226 K HN 0.579 nan 8.250 nan 0.000 0.431 227 V N 0.147 119.785 119.914 -0.460 0.000 3.226 227 V HA 0.417 4.535 4.120 -0.004 0.000 0.304 227 V C 0.172 176.274 176.094 0.013 0.000 1.336 227 V CA -0.633 61.393 62.300 -0.456 0.000 1.066 227 V CB 2.311 33.934 31.823 -0.333 0.000 1.087 227 V HN 1.002 nan 8.190 nan 0.000 0.451 228 G N -0.357 108.565 108.800 0.203 0.000 2.624 228 G HA2 0.187 4.145 3.960 -0.004 0.000 0.217 228 G HA3 0.187 4.145 3.960 -0.004 0.000 0.217 228 G C -0.194 174.771 174.900 0.107 0.000 1.506 228 G CA -0.005 45.197 45.100 0.170 0.000 1.072 228 G HN 0.664 nan 8.290 nan 0.000 0.568 229 D N 0.356 120.801 120.400 0.075 0.000 2.870 229 D HA 0.193 4.831 4.640 -0.004 0.000 0.241 229 D C -0.010 176.399 176.300 0.183 0.000 1.234 229 D CA -0.052 54.039 54.000 0.152 0.000 0.844 229 D CB -0.502 40.381 40.800 0.137 0.000 1.051 229 D HN 0.117 nan 8.370 nan 0.000 0.469 230 F N 1.070 121.136 119.950 0.194 0.000 2.553 230 F HA -0.040 4.484 4.527 -0.004 0.000 0.356 230 F C 1.598 177.500 175.800 0.170 0.000 1.142 230 F CA -0.180 57.916 58.000 0.160 0.000 1.322 230 F CB 0.795 39.877 39.000 0.136 0.000 1.126 230 F HN -0.175 nan 8.300 nan 0.000 0.599 231 E N 3.545 123.978 120.200 0.388 0.000 2.217 231 E HA 0.030 4.377 4.350 -0.004 0.000 0.279 231 E C 0.932 177.688 176.600 0.260 0.000 1.068 231 E CA -0.041 56.529 56.400 0.282 0.000 0.882 231 E CB 0.780 30.608 29.700 0.213 0.000 1.039 231 E HN 0.521 nan 8.360 nan 0.000 0.418 232 I N 4.800 125.549 120.570 0.298 0.000 2.143 232 I HA -0.377 3.790 4.170 -0.004 0.000 0.245 232 I C 2.208 178.480 176.117 0.258 0.000 1.068 232 I CA 1.294 62.767 61.300 0.289 0.000 1.326 232 I CB -0.287 37.861 38.000 0.248 0.000 1.028 232 I HN 0.637 nan 8.210 nan 0.000 0.412 233 L N -0.271 121.130 121.223 0.298 0.000 2.129 233 L HA -0.276 4.062 4.340 -0.004 0.000 0.212 233 L C 2.207 179.124 176.870 0.078 0.000 1.087 233 L CA 1.474 56.418 54.840 0.174 0.000 0.757 233 L CB -0.600 41.518 42.059 0.098 0.000 0.896 233 L HN 0.366 nan 8.230 nan 0.000 0.434 234 E N -0.370 119.860 120.200 0.049 0.000 2.478 234 E HA -0.111 4.237 4.350 -0.004 0.000 0.198 234 E C 1.611 178.138 176.600 -0.122 0.000 1.046 234 E CA 0.404 56.778 56.400 -0.042 0.000 0.870 234 E CB 0.144 29.804 29.700 -0.067 0.000 0.818 234 E HN 0.537 nan 8.360 nan 0.000 0.527 235 L N -0.000 121.174 121.223 -0.080 0.000 2.728 235 L HA 0.055 4.393 4.340 -0.004 0.000 0.238 235 L C 1.630 178.478 176.870 -0.036 0.000 1.143 235 L CA -0.179 54.555 54.840 -0.176 0.000 0.937 235 L CB 0.635 42.480 42.059 -0.356 0.000 1.225 235 L HN -0.001 nan 8.230 nan 0.000 0.507 236 V N 0.133 120.090 119.914 0.071 0.000 2.407 236 V HA -0.184 3.934 4.120 -0.004 0.000 0.248 236 V C 2.590 178.719 176.094 0.059 0.000 1.055 236 V CA 2.047 64.423 62.300 0.127 0.000 1.049 236 V CB -1.132 30.725 31.823 0.056 0.000 0.662 236 V HN 0.587 nan 8.190 nan 0.000 0.455 237 G N -0.239 108.566 108.800 0.008 0.000 2.459 237 G HA2 -0.335 3.623 3.960 -0.004 0.000 0.217 237 G HA3 -0.335 3.623 3.960 -0.004 0.000 0.217 237 G C 1.491 176.379 174.900 -0.020 0.000 1.183 237 G CA 1.151 46.242 45.100 -0.014 0.000 0.776 237 G HN 0.467 nan 8.290 nan 0.000 0.552 238 F N 1.174 121.009 119.950 -0.191 0.000 2.027 238 F HA -0.162 4.362 4.527 -0.004 0.000 0.297 238 F C 2.472 178.157 175.800 -0.192 0.000 1.129 238 F CA 2.011 59.860 58.000 -0.251 0.000 1.195 238 F CB -0.694 38.051 39.000 -0.426 0.000 0.960 238 F HN 0.148 nan 8.300 nan 0.000 0.485 239 F N 0.578 120.407 119.950 -0.203 0.000 2.120 239 F HA -0.252 4.273 4.527 -0.004 0.000 0.300 239 F C 2.471 178.094 175.800 -0.294 0.000 1.095 239 F CA 1.765 59.574 58.000 -0.320 0.000 1.249 239 F CB -0.584 38.309 39.000 -0.178 0.000 0.995 239 F HN -0.048 nan 8.300 nan 0.000 0.480 240 K N 0.047 120.433 120.400 -0.024 0.000 2.057 240 K HA -0.161 4.157 4.320 -0.004 0.000 0.207 240 K C 2.250 178.778 176.600 -0.119 0.000 1.049 240 K CA 1.244 57.491 56.287 -0.067 0.000 0.931 240 K CB -0.405 32.064 32.500 -0.052 0.000 0.714 240 K HN 0.249 nan 8.250 nan 0.000 0.440 241 A N 1.085 123.802 122.820 -0.171 0.000 2.016 241 A HA 0.077 4.395 4.320 -0.004 0.000 0.217 241 A C 1.554 179.002 177.584 -0.226 0.000 1.162 241 A CA 1.018 52.950 52.037 -0.175 0.000 0.662 241 A CB -0.111 18.797 19.000 -0.154 0.000 0.812 241 A HN 0.257 nan 8.150 nan 0.000 0.450 242 A N 0.108 122.705 122.820 -0.372 0.000 3.063 242 A HA 0.580 4.897 4.320 -0.004 0.000 0.263 242 A C 1.542 179.016 177.584 -0.183 0.000 1.736 242 A CA 0.567 52.389 52.037 -0.359 0.000 1.408 242 A CB -0.963 17.616 19.000 -0.701 0.000 1.108 242 A HN 0.827 nan 8.150 nan 0.000 0.621 243 A N 1.431 124.175 122.820 -0.127 0.000 1.892 243 A HA -0.189 4.129 4.320 -0.004 0.000 0.218 243 A C 1.633 179.179 177.584 -0.064 0.000 1.188 243 A CA 1.849 53.835 52.037 -0.085 0.000 0.631 243 A CB -0.334 18.624 19.000 -0.069 0.000 0.822 243 A HN 0.599 nan 8.150 nan 0.000 0.447 244 N N -0.538 118.130 118.700 -0.054 0.000 2.314 244 N HA 0.144 4.882 4.740 -0.004 0.000 0.200 244 N C -0.218 175.282 175.510 -0.018 0.000 1.135 244 N CA -0.175 52.855 53.050 -0.033 0.000 0.835 244 N CB -0.229 38.242 38.487 -0.026 0.000 0.989 244 N HN 0.361 nan 8.380 nan 0.000 0.478 245 L N 1.380 122.594 121.223 -0.015 0.000 2.559 245 L HA -0.036 4.302 4.340 -0.004 0.000 0.274 245 L C 1.162 178.053 176.870 0.035 0.000 1.205 245 L CA 0.932 55.792 54.840 0.032 0.000 0.907 245 L CB 0.478 42.580 42.059 0.072 0.000 1.153 245 L HN 0.155 nan 8.230 nan 0.000 0.490 246 E N 2.225 122.452 120.200 0.045 0.000 2.399 246 E HA 0.127 4.475 4.350 -0.004 0.000 0.205 246 E C -0.212 176.417 176.600 0.050 0.000 0.906 246 E CA 0.041 56.459 56.400 0.030 0.000 0.998 246 E CB 0.764 30.471 29.700 0.013 0.000 1.002 246 E HN 0.650 nan 8.360 nan 0.000 0.501 247 E N 0.385 120.631 120.200 0.076 0.000 2.272 247 E HA 0.432 4.780 4.350 -0.004 0.000 0.269 247 E C -1.839 174.869 176.600 0.180 0.000 0.877 247 E CA -0.627 55.816 56.400 0.073 0.000 0.755 247 E CB 1.619 31.317 29.700 -0.004 0.000 1.192 247 E HN -0.068 nan 8.360 nan 0.000 0.422 248 F N 4.345 124.309 119.950 0.024 0.000 2.588 248 F HA 0.542 5.067 4.527 -0.004 0.000 0.318 248 F C -1.691 174.100 175.800 -0.016 0.000 1.155 248 F CA -0.467 57.577 58.000 0.072 0.000 0.967 248 F CB 1.002 40.171 39.000 0.282 0.000 1.236 248 F HN 0.582 nan 8.300 nan 0.000 0.455 249 C N 3.660 122.537 119.300 -0.705 0.000 2.802 249 C HA 1.036 5.493 4.460 -0.004 0.000 0.307 249 C C 0.458 175.040 174.990 -0.679 0.000 1.222 249 C CA -0.053 58.646 59.018 -0.533 0.000 1.580 249 C CB 0.864 28.093 27.740 -0.851 0.000 2.119 249 C HN 1.412 nan 8.230 nan 0.000 0.479 250 G N 0.600 109.393 108.800 -0.012 0.000 2.384 250 G HA2 0.531 4.489 3.960 -0.004 0.000 0.204 250 G HA3 0.531 4.489 3.960 -0.004 0.000 0.204 250 G C -0.001 175.089 174.900 0.318 0.000 1.237 250 G CA 0.172 45.369 45.100 0.162 0.000 1.060 250 G HN 2.758 nan 8.290 nan 0.000 0.514 251 G N -1.648 107.349 108.800 0.329 0.000 2.741 251 G HA2 0.413 4.370 3.960 -0.004 0.000 0.222 251 G HA3 0.413 4.370 3.960 -0.004 0.000 0.222 251 G C 0.146 175.263 174.900 0.362 0.000 1.364 251 G CA 1.053 46.418 45.100 0.443 0.000 0.866 251 G HN 2.398 nan 8.290 nan 0.000 0.555 252 S N -0.928 114.989 115.700 0.363 0.000 2.720 252 S HA 0.598 5.066 4.470 -0.004 0.000 0.278 252 S C -0.389 174.374 174.600 0.270 0.000 1.172 252 S CA -0.606 57.820 58.200 0.376 0.000 1.019 252 S CB 0.627 64.021 63.200 0.324 0.000 1.049 252 S HN 0.882 nan 8.310 nan 0.000 0.483 253 L N 5.367 126.720 121.223 0.216 0.000 2.268 253 L HA 0.494 4.832 4.340 -0.004 0.000 0.289 253 L C -0.249 176.731 176.870 0.184 0.000 1.064 253 L CA -0.516 54.349 54.840 0.041 0.000 0.824 253 L CB 0.579 42.557 42.059 -0.135 0.000 1.202 253 L HN 0.568 nan 8.230 nan 0.000 0.433 254 N N 4.034 122.918 118.700 0.306 0.000 2.476 254 N HA 0.186 4.924 4.740 -0.004 0.000 0.257 254 N C -0.668 175.004 175.510 0.270 0.000 0.970 254 N CA -0.513 52.670 53.050 0.221 0.000 0.938 254 N CB 1.799 40.377 38.487 0.151 0.000 1.144 254 N HN 0.585 nan 8.380 nan 0.000 0.500 255 E N 0.858 121.180 120.200 0.204 0.000 2.197 255 E HA 0.232 4.579 4.350 -0.004 0.000 0.281 255 E C -0.807 175.842 176.600 0.080 0.000 0.995 255 E CA -0.837 55.663 56.400 0.167 0.000 0.808 255 E CB 1.087 30.882 29.700 0.158 0.000 1.093 255 E HN 0.411 nan 8.360 nan 0.000 0.394 256 D N 3.844 124.269 120.400 0.041 0.000 2.326 256 D HA 0.109 4.747 4.640 -0.004 0.000 0.248 256 D C 0.852 177.162 176.300 0.016 0.000 1.001 256 D CA -0.749 53.263 54.000 0.020 0.000 0.961 256 D CB 1.145 41.948 40.800 0.004 0.000 1.183 256 D HN 0.359 nan 8.370 nan 0.000 0.502 257 I N 0.596 121.174 120.570 0.013 0.000 2.617 257 I HA -0.007 4.160 4.170 -0.004 0.000 0.256 257 I C 2.481 178.600 176.117 0.003 0.000 1.167 257 I CA 0.657 61.964 61.300 0.012 0.000 1.469 257 I CB -1.703 36.305 38.000 0.013 0.000 1.098 257 I HN 0.686 nan 8.210 nan 0.000 0.436 258 G N 1.411 110.209 108.800 -0.003 0.000 2.516 258 G HA2 -0.165 3.792 3.960 -0.004 0.000 0.221 258 G HA3 -0.165 3.792 3.960 -0.004 0.000 0.221 258 G C 0.904 175.793 174.900 -0.019 0.000 1.107 258 G CA 0.388 45.481 45.100 -0.010 0.000 0.747 258 G HN 0.317 nan 8.290 nan 0.000 0.567 259 M N 0.066 119.651 119.600 -0.026 0.000 2.067 259 M HA 0.245 4.722 4.480 -0.004 0.000 0.286 259 M C -2.321 173.963 176.300 -0.026 0.000 0.922 259 M CA -1.661 53.614 55.300 -0.041 0.000 0.937 259 M CB 2.865 35.415 32.600 -0.083 0.000 1.550 259 M HN -0.172 nan 8.290 nan 0.000 0.433 260 P HA 0.011 nan 4.420 nan 0.000 0.221 260 P C -0.008 177.302 177.300 0.016 0.000 1.155 260 P CA 0.950 64.057 63.100 0.011 0.000 0.812 260 P CB 0.398 32.106 31.700 0.013 0.000 0.801 261 E N -0.188 120.009 120.200 -0.004 0.000 3.012 261 E HA 0.092 4.439 4.350 -0.004 0.000 0.228 261 E C 1.084 177.652 176.600 -0.053 0.000 1.184 261 E CA -0.214 56.185 56.400 -0.001 0.000 1.407 261 E CB 0.080 29.782 29.700 0.003 0.000 1.438 261 E HN 0.120 nan 8.360 nan 0.000 0.435 262 K N 0.235 120.566 120.400 -0.114 0.000 2.057 262 K HA -0.121 4.197 4.320 -0.004 0.000 0.207 262 K C 0.006 176.361 176.600 -0.409 0.000 1.049 262 K CA 1.306 57.395 56.287 -0.330 0.000 0.931 262 K CB 0.223 32.400 32.500 -0.539 0.000 0.714 262 K HN 0.239 nan 8.250 nan 0.000 0.440 263 Y N -0.094 120.209 120.300 0.004 0.000 2.638 263 Y HA 0.275 4.823 4.550 -0.004 0.000 0.367 263 Y C 0.234 176.124 175.900 -0.016 0.000 1.001 263 Y CA -0.723 57.371 58.100 -0.010 0.000 1.133 263 Y CB 1.128 39.591 38.460 0.006 0.000 1.199 263 Y HN -0.034 nan 8.280 nan 0.000 0.642 264 M N -0.340 119.307 119.600 0.079 0.000 2.300 264 M HA 0.232 4.710 4.480 -0.004 0.000 0.313 264 M C -0.149 176.165 176.300 0.023 0.000 0.988 264 M CA 0.330 55.665 55.300 0.059 0.000 1.012 264 M CB 0.199 32.828 32.600 0.049 0.000 1.586 264 M HN 0.303 nan 8.290 nan 0.000 0.562 265 N N 1.151 119.851 118.700 0.000 0.000 2.806 265 N HA 0.268 5.006 4.740 -0.004 0.000 0.315 265 N C -1.126 174.338 175.510 -0.078 0.000 1.738 265 N CA -0.036 52.996 53.050 -0.031 0.000 0.993 265 N CB 0.868 39.337 38.487 -0.030 0.000 1.324 265 N HN 0.042 nan 8.380 nan 0.000 0.493 266 L N 1.675 122.818 121.223 -0.133 0.000 2.265 266 L HA 0.376 4.714 4.340 -0.004 0.000 0.289 266 L C 0.178 176.809 176.870 -0.400 0.000 1.033 266 L CA -0.884 53.753 54.840 -0.338 0.000 0.814 266 L CB 1.135 42.853 42.059 -0.568 0.000 1.203 266 L HN 0.033 nan 8.230 nan 0.000 0.423 267 V N 1.897 121.598 119.914 -0.355 0.000 2.397 267 V HA 0.298 4.415 4.120 -0.004 0.000 0.262 267 V C 0.072 175.857 176.094 -0.514 0.000 1.047 267 V CA -0.418 61.705 62.300 -0.296 0.000 1.003 267 V CB -0.797 30.930 31.823 -0.159 0.000 1.037 267 V HN 0.368 nan 8.190 nan 0.000 0.480 268 F N 5.162 124.881 119.950 -0.384 0.000 2.399 268 F HA 0.563 5.088 4.527 -0.004 0.000 0.334 268 F C -1.516 174.037 175.800 -0.412 0.000 1.097 268 F CA -2.372 55.292 58.000 -0.560 0.000 1.076 268 F CB 1.381 40.001 39.000 -0.635 0.000 1.162 268 F HN 0.370 nan 8.300 nan 0.000 0.495 269 P HA 0.016 nan 4.420 nan 0.000 0.266 269 P C 0.375 177.571 177.300 -0.173 0.000 1.186 269 P CA 0.108 63.158 63.100 -0.084 0.000 0.767 269 P CB 0.598 32.290 31.700 -0.013 0.000 0.820 270 R N 2.330 122.743 120.500 -0.144 0.000 2.096 270 R HA -0.130 4.208 4.340 -0.004 0.000 0.235 270 R C 1.390 177.601 176.300 -0.149 0.000 1.127 270 R CA 1.463 57.467 56.100 -0.160 0.000 0.968 270 R CB -0.305 29.936 30.300 -0.099 0.000 0.861 270 R HN 0.525 nan 8.270 nan 0.000 0.440 271 K N 0.738 121.079 120.400 -0.099 0.000 2.459 271 K HA 0.129 4.447 4.320 -0.004 0.000 0.193 271 K C 0.725 177.293 176.600 -0.054 0.000 1.030 271 K CA -0.134 56.117 56.287 -0.061 0.000 1.026 271 K CB 0.137 32.616 32.500 -0.035 0.000 0.809 271 K HN 0.082 nan 8.250 nan 0.000 0.504 272 L N 1.787 122.952 121.223 -0.096 0.000 2.700 272 L HA -0.146 4.191 4.340 -0.004 0.000 0.276 272 L C 0.649 177.529 176.870 0.016 0.000 1.200 272 L CA 0.520 55.325 54.840 -0.058 0.000 0.951 272 L CB 0.163 42.131 42.059 -0.152 0.000 1.226 272 L HN 0.486 nan 8.230 nan 0.000 0.489 273 C N 1.802 121.130 119.300 0.045 0.000 4.015 273 C HA 0.412 4.870 4.460 -0.004 0.000 0.323 273 C C 0.571 175.582 174.990 0.036 0.000 1.724 273 C CA -0.818 58.239 59.018 0.065 0.000 1.828 273 C CB -0.143 27.624 27.740 0.045 0.000 3.083 273 C HN 0.814 nan 8.230 nan 0.000 0.640 274 R N 1.810 122.325 120.500 0.025 0.000 2.473 274 R HA 0.821 5.159 4.340 -0.004 0.000 0.303 274 R C -0.918 175.385 176.300 0.005 0.000 1.002 274 R CA -0.021 56.080 56.100 0.001 0.000 0.884 274 R CB 1.518 31.810 30.300 -0.013 0.000 1.173 274 R HN 0.705 nan 8.270 nan 0.000 0.464 275 L N -1.128 120.087 121.223 -0.012 0.000 2.720 275 L HA 1.001 5.338 4.340 -0.004 0.000 0.261 275 L C -1.295 175.568 176.870 -0.012 0.000 1.046 275 L CA -0.854 53.991 54.840 0.009 0.000 0.886 275 L CB 2.489 44.559 42.059 0.018 0.000 1.493 275 L HN 0.576 nan 8.230 nan 0.000 0.407 276 G N 1.934 110.757 108.800 0.038 0.000 2.152 276 G HA2 0.453 4.411 3.960 -0.004 0.000 0.290 276 G HA3 0.453 4.411 3.960 -0.004 0.000 0.290 276 G C -1.495 173.494 174.900 0.148 0.000 1.307 276 G CA -0.567 44.564 45.100 0.052 0.000 1.289 276 G HN 0.599 nan 8.290 nan 0.000 0.612 277 L N 1.891 123.190 121.223 0.128 0.000 2.290 277 L HA 0.425 4.763 4.340 -0.004 0.000 0.284 277 L C 0.688 177.629 176.870 0.119 0.000 1.078 277 L CA -0.623 54.331 54.840 0.189 0.000 0.815 277 L CB 1.512 43.650 42.059 0.131 0.000 1.162 277 L HN 0.405 nan 8.230 nan 0.000 0.435 278 S N 2.098 117.874 115.700 0.126 0.000 2.548 278 S HA 0.222 4.689 4.470 -0.004 0.000 0.277 278 S C -0.048 174.526 174.600 -0.043 0.000 1.315 278 S CA -0.207 57.939 58.200 -0.089 0.000 1.050 278 S CB 0.219 63.275 63.200 -0.241 0.000 0.918 278 S HN 0.641 nan 8.310 nan 0.000 0.497 279 Y N -1.933 118.432 120.300 0.108 0.000 4.907 279 Y HA -0.245 4.303 4.550 -0.004 0.000 0.246 279 Y C 0.604 176.529 175.900 0.041 0.000 0.968 279 Y CA 0.421 58.565 58.100 0.073 0.000 1.961 279 Y CB -2.373 36.128 38.460 0.068 0.000 1.487 279 Y HN 0.727 nan 8.280 nan 0.000 0.575 280 M N 1.743 121.400 119.600 0.095 0.000 2.390 280 M HA 0.321 4.799 4.480 -0.004 0.000 0.353 280 M C 0.970 177.283 176.300 0.022 0.000 1.623 280 M CA 1.250 56.567 55.300 0.028 0.000 1.065 280 M CB 0.102 32.686 32.600 -0.027 0.000 2.025 280 M HN 0.371 nan 8.290 nan 0.000 0.461 281 G N 5.143 113.962 108.800 0.031 0.000 2.557 281 G HA2 0.517 4.475 3.960 -0.004 0.000 0.302 281 G HA3 0.517 4.475 3.960 -0.004 0.000 0.302 281 G C -2.473 172.433 174.900 0.009 0.000 1.311 281 G CA -1.219 43.903 45.100 0.035 0.000 1.030 281 G HN 0.568 nan 8.290 nan 0.000 0.509 282 P HA -0.040 nan 4.420 nan 0.000 0.220 282 P C 1.473 178.793 177.300 0.033 0.000 1.152 282 P CA 0.583 63.697 63.100 0.023 0.000 0.812 282 P CB 0.268 31.992 31.700 0.041 0.000 0.792 283 N N 0.073 118.801 118.700 0.047 0.000 2.166 283 N HA -0.133 4.605 4.740 -0.004 0.000 0.186 283 N C 1.433 176.979 175.510 0.060 0.000 1.019 283 N CA 1.192 54.280 53.050 0.063 0.000 0.856 283 N CB -0.431 38.104 38.487 0.079 0.000 0.993 283 N HN 0.377 nan 8.380 nan 0.000 0.426 284 E N 0.394 120.616 120.200 0.036 0.000 2.415 284 E HA -0.005 4.343 4.350 -0.004 0.000 0.197 284 E C 1.778 178.324 176.600 -0.089 0.000 1.007 284 E CA -0.086 56.318 56.400 0.007 0.000 0.890 284 E CB -0.441 29.234 29.700 -0.042 0.000 0.891 284 E HN 0.366 nan 8.360 nan 0.000 0.496 285 M N 1.794 121.321 119.600 -0.121 0.000 2.143 285 M HA -0.110 4.368 4.480 -0.004 0.000 0.258 285 M C -0.933 175.027 176.300 -0.567 0.000 1.071 285 M CA 1.840 56.985 55.300 -0.257 0.000 1.088 285 M CB -0.922 31.571 32.600 -0.178 0.000 1.360 285 M HN -0.068 nan 8.290 nan 0.000 0.404 286 P HA -0.107 nan 4.420 nan 0.000 0.225 286 P C 1.396 178.400 177.300 -0.493 0.000 1.148 286 P CA 1.260 63.927 63.100 -0.722 0.000 0.779 286 P CB -0.704 31.034 31.700 0.064 0.000 0.780 287 I N -4.754 115.668 120.570 -0.246 0.000 3.083 287 I HA -0.102 4.066 4.170 -0.004 0.000 0.273 287 I C 1.341 177.433 176.117 -0.041 0.000 1.297 287 I CA 1.256 62.538 61.300 -0.031 0.000 1.452 287 I CB -0.713 37.347 38.000 0.101 0.000 1.078 287 I HN -0.073 nan 8.210 nan 0.000 0.484 288 L N -0.605 120.378 121.223 -0.399 0.000 2.416 288 L HA 0.102 4.440 4.340 -0.004 0.000 0.216 288 L C 2.174 178.668 176.870 -0.627 0.000 1.098 288 L CA 0.289 54.748 54.840 -0.634 0.000 0.840 288 L CB -0.368 41.304 42.059 -0.645 0.000 0.981 288 L HN 0.105 nan 8.230 nan 0.000 0.462 289 F N 0.855 120.662 119.950 -0.238 0.000 2.126 289 F HA -0.114 4.411 4.527 -0.004 0.000 0.299 289 F C -0.126 175.593 175.800 -0.134 0.000 1.096 289 F CA 0.793 58.684 58.000 -0.182 0.000 1.255 289 F CB -2.536 36.408 39.000 -0.094 0.000 0.997 289 F HN 0.097 nan 8.300 nan 0.000 0.479 290 P HA -0.210 nan 4.420 nan 0.000 0.221 290 P C 0.499 177.964 177.300 0.275 0.000 1.141 290 P CA 1.671 64.901 63.100 0.216 0.000 0.794 290 P CB -0.398 31.485 31.700 0.305 0.000 0.764 291 F N -6.797 113.175 119.950 0.037 0.000 2.895 291 F HA 0.668 5.193 4.527 -0.004 0.000 0.334 291 F C 1.260 177.058 175.800 -0.004 0.000 1.252 291 F CA -0.482 57.523 58.000 0.008 0.000 1.056 291 F CB -0.758 38.235 39.000 -0.012 0.000 1.311 291 F HN -0.271 nan 8.300 nan 0.000 0.506 292 A N 1.129 123.778 122.820 -0.285 0.000 2.024 292 A HA 0.098 4.416 4.320 -0.004 0.000 0.220 292 A C 2.348 179.887 177.584 -0.076 0.000 1.164 292 A CA 1.754 53.650 52.037 -0.235 0.000 0.643 292 A CB -0.918 18.011 19.000 -0.118 0.000 0.806 292 A HN 0.717 nan 8.150 nan 0.000 0.451 293 A N -1.101 121.712 122.820 -0.010 0.000 2.076 293 A HA -0.201 4.116 4.320 -0.004 0.000 0.220 293 A C 2.072 179.677 177.584 0.035 0.000 1.160 293 A CA 1.713 53.761 52.037 0.018 0.000 0.653 293 A CB -0.352 18.668 19.000 0.034 0.000 0.801 293 A HN 0.667 nan 8.150 nan 0.000 0.455 294 Q N -0.915 118.924 119.800 0.064 0.000 2.396 294 Q HA 0.225 4.562 4.340 -0.004 0.000 0.209 294 Q C -0.087 175.956 176.000 0.073 0.000 0.906 294 Q CA -0.254 55.602 55.803 0.089 0.000 0.927 294 Q CB 0.105 28.940 28.738 0.161 0.000 1.069 294 Q HN 0.647 nan 8.270 nan 0.000 0.523 295 I N 1.914 122.510 120.570 0.043 0.000 2.598 295 I HA -0.065 4.103 4.170 -0.004 0.000 0.284 295 I C 1.015 177.136 176.117 0.005 0.000 1.140 295 I CA 0.621 61.928 61.300 0.012 0.000 1.420 295 I CB 0.593 38.554 38.000 -0.065 0.000 1.387 295 I HN 0.191 nan 8.210 nan 0.000 0.553 296 R N 4.118 124.623 120.500 0.008 0.000 2.453 296 R HA 0.236 4.574 4.340 -0.004 0.000 0.233 296 R C 0.196 176.495 176.300 -0.002 0.000 0.895 296 R CA -0.202 55.902 56.100 0.007 0.000 1.028 296 R CB 0.642 30.948 30.300 0.010 0.000 1.255 296 R HN 0.434 nan 8.270 nan 0.000 0.571 297 K N 1.106 121.500 120.400 -0.010 0.000 2.427 297 K HA 0.402 4.719 4.320 -0.004 0.000 0.252 297 K C -1.910 174.673 176.600 -0.029 0.000 0.931 297 K CA -0.712 55.563 56.287 -0.020 0.000 0.793 297 K CB 1.695 34.177 32.500 -0.030 0.000 1.211 297 K HN -0.196 nan 8.250 nan 0.000 0.426 298 L N 3.027 124.233 121.223 -0.029 0.000 2.438 298 L HA 0.403 4.741 4.340 -0.004 0.000 0.270 298 L C -1.566 175.286 176.870 -0.030 0.000 0.972 298 L CA -0.253 54.565 54.840 -0.036 0.000 0.831 298 L CB 1.908 43.945 42.059 -0.037 0.000 1.273 298 L HN 0.665 nan 8.230 nan 0.000 0.405 299 D N 4.443 124.825 120.400 -0.030 0.000 2.483 299 D HA 0.283 4.921 4.640 -0.004 0.000 0.281 299 D C 0.066 176.354 176.300 -0.020 0.000 1.174 299 D CA -0.093 53.898 54.000 -0.016 0.000 0.938 299 D CB 0.309 41.112 40.800 0.006 0.000 1.002 299 D HN 0.508 nan 8.370 nan 0.000 0.501 300 L N 2.594 123.792 121.223 -0.042 0.000 2.737 300 L HA 0.111 4.449 4.340 -0.004 0.000 0.236 300 L C 1.857 178.674 176.870 -0.088 0.000 1.219 300 L CA -0.339 54.469 54.840 -0.054 0.000 1.021 300 L CB 0.134 42.160 42.059 -0.056 0.000 1.291 300 L HN 0.267 nan 8.230 nan 0.000 0.470 301 L N -0.022 121.082 121.223 -0.198 0.000 2.046 301 L HA -0.149 4.189 4.340 -0.004 0.000 0.208 301 L C 1.222 177.736 176.870 -0.593 0.000 1.077 301 L CA 2.112 56.668 54.840 -0.474 0.000 0.747 301 L CB -0.492 41.101 42.059 -0.777 0.000 0.896 301 L HN 0.366 nan 8.230 nan 0.000 0.432 302 Y N -0.941 119.319 120.300 -0.068 0.000 2.751 302 Y HA 0.518 5.065 4.550 -0.004 0.000 0.289 302 Y C 0.658 176.448 175.900 -0.182 0.000 1.110 302 Y CA -0.408 57.592 58.100 -0.166 0.000 1.251 302 Y CB -0.148 38.138 38.460 -0.291 0.000 1.178 302 Y HN 0.057 nan 8.280 nan 0.000 0.540 303 A N 0.395 123.206 122.820 -0.015 0.000 2.303 303 A HA 0.574 4.892 4.320 -0.004 0.000 0.317 303 A C -0.162 177.448 177.584 0.044 0.000 1.149 303 A CA -0.412 51.623 52.037 -0.002 0.000 0.822 303 A CB 0.722 19.696 19.000 -0.044 0.000 1.131 303 A HN 0.305 nan 8.150 nan 0.000 0.493 304 L N 2.559 123.824 121.223 0.070 0.000 3.036 304 L HA 0.265 4.603 4.340 -0.004 0.000 0.237 304 L C 0.041 176.950 176.870 0.065 0.000 1.319 304 L CA 0.557 55.454 54.840 0.095 0.000 1.112 304 L CB -1.066 41.075 42.059 0.137 0.000 1.480 304 L HN 0.661 nan 8.230 nan 0.000 0.506 305 L N -2.598 118.650 121.223 0.041 0.000 2.333 305 L HA 0.720 5.057 4.340 -0.004 0.000 0.269 305 L C -0.239 176.712 176.870 0.134 0.000 1.010 305 L CA -0.697 54.163 54.840 0.033 0.000 0.818 305 L CB 1.943 43.965 42.059 -0.062 0.000 1.306 305 L HN 0.090 nan 8.230 nan 0.000 0.430 306 E N 0.064 120.351 120.200 0.145 0.000 2.284 306 E HA 0.180 4.528 4.350 -0.004 0.000 0.255 306 E C 0.342 177.088 176.600 0.243 0.000 1.052 306 E CA -0.542 55.959 56.400 0.168 0.000 0.904 306 E CB 1.343 31.098 29.700 0.092 0.000 1.217 306 E HN 0.730 nan 8.360 nan 0.000 0.438 307 T N -0.315 114.313 114.554 0.123 0.000 2.699 307 T HA -0.261 4.087 4.350 -0.004 0.000 0.268 307 T C 1.658 176.427 174.700 0.115 0.000 1.036 307 T CA 2.198 64.338 62.100 0.067 0.000 1.147 307 T CB -0.133 68.733 68.868 -0.003 0.000 0.862 307 T HN 0.546 nan 8.240 nan 0.000 0.446 308 E N -0.130 120.125 120.200 0.093 0.000 2.051 308 E HA -0.163 4.184 4.350 -0.004 0.000 0.192 308 E C 1.911 178.566 176.600 0.091 0.000 0.991 308 E CA 1.534 57.980 56.400 0.076 0.000 0.799 308 E CB -0.138 29.595 29.700 0.055 0.000 0.748 308 E HN 0.560 nan 8.360 nan 0.000 0.449 309 D N -0.155 120.304 120.400 0.098 0.000 2.182 309 D HA -0.183 4.455 4.640 -0.004 0.000 0.201 309 D C 1.835 178.165 176.300 0.051 0.000 0.986 309 D CA 0.927 54.967 54.000 0.066 0.000 0.847 309 D CB -0.342 40.481 40.800 0.038 0.000 0.942 309 D HN 0.420 nan 8.370 nan 0.000 0.467 310 H N 0.178 119.260 119.070 0.020 0.000 2.293 310 H HA -0.090 4.464 4.556 -0.004 0.000 0.300 310 H C 2.485 177.821 175.328 0.013 0.000 1.082 310 H CA 1.318 57.374 56.048 0.014 0.000 1.308 310 H CB -0.215 29.554 29.762 0.012 0.000 1.375 310 H HN 0.237 nan 8.280 nan 0.000 0.495 311 C N 0.304 119.696 119.300 0.155 0.000 2.413 311 C HA -0.162 4.296 4.460 -0.004 0.000 0.276 311 C C 3.139 178.141 174.990 0.020 0.000 1.248 311 C CA 1.636 60.702 59.018 0.080 0.000 1.742 311 C CB -1.261 26.518 27.740 0.066 0.000 2.017 311 C HN 0.736 nan 8.230 nan 0.000 0.481 312 T N -0.669 113.899 114.554 0.024 0.000 2.867 312 T HA -0.105 4.243 4.350 -0.004 0.000 0.268 312 T C 1.697 176.403 174.700 0.010 0.000 1.057 312 T CA 1.285 63.379 62.100 -0.011 0.000 1.136 312 T CB -0.373 68.503 68.868 0.013 0.000 0.874 312 T HN 0.582 nan 8.240 nan 0.000 0.466 313 L N 0.002 121.257 121.223 0.054 0.000 2.084 313 L HA 0.107 4.445 4.340 -0.004 0.000 0.202 313 L C 2.618 179.487 176.870 -0.002 0.000 1.074 313 L CA 0.922 55.805 54.840 0.071 0.000 0.757 313 L CB -0.275 41.778 42.059 -0.009 0.000 0.918 313 L HN 0.194 nan 8.230 nan 0.000 0.444 314 I N 0.024 120.591 120.570 -0.005 0.000 2.185 314 I HA -0.365 3.803 4.170 -0.004 0.000 0.246 314 I C 2.488 178.570 176.117 -0.060 0.000 1.088 314 I CA 1.471 62.772 61.300 0.001 0.000 1.347 314 I CB -1.396 36.638 38.000 0.056 0.000 1.041 314 I HN 0.538 nan 8.210 nan 0.000 0.415 315 Q N 1.550 121.250 119.800 -0.167 0.000 2.297 315 Q HA -0.188 4.150 4.340 -0.004 0.000 0.208 315 Q C 1.598 177.349 176.000 -0.414 0.000 0.981 315 Q CA 1.251 56.748 55.803 -0.510 0.000 0.876 315 Q CB 0.105 28.517 28.738 -0.543 0.000 0.921 315 Q HN 0.564 nan 8.270 nan 0.000 0.446 316 K N -1.153 119.134 120.400 -0.189 0.000 2.374 316 K HA 0.127 4.444 4.320 -0.004 0.000 0.196 316 K C 0.174 176.737 176.600 -0.062 0.000 1.023 316 K CA -0.041 56.175 56.287 -0.119 0.000 1.103 316 K CB 0.712 33.187 32.500 -0.042 0.000 0.848 316 K HN 0.072 nan 8.250 nan 0.000 0.528 317 C N 2.731 122.004 119.300 -0.044 0.000 2.787 317 C HA 0.236 4.694 4.460 -0.004 0.000 0.265 317 C C -1.350 173.654 174.990 0.023 0.000 1.190 317 C CA -1.344 57.664 59.018 -0.016 0.000 1.616 317 C CB 0.445 28.170 27.740 -0.025 0.000 1.732 317 C HN 0.225 nan 8.230 nan 0.000 0.433 318 P HA -0.066 nan 4.420 nan 0.000 0.229 318 P C 0.723 178.054 177.300 0.052 0.000 1.160 318 P CA 1.375 64.519 63.100 0.073 0.000 0.777 318 P CB 0.312 32.056 31.700 0.074 0.000 0.814 319 N N -0.471 118.250 118.700 0.035 0.000 2.236 319 N HA 0.062 4.799 4.740 -0.004 0.000 0.196 319 N C 0.527 176.052 175.510 0.026 0.000 1.114 319 N CA -0.335 52.733 53.050 0.030 0.000 0.859 319 N CB 0.107 38.610 38.487 0.027 0.000 0.982 319 N HN 0.126 nan 8.380 nan 0.000 0.493 320 L N 2.772 124.010 121.223 0.025 0.000 2.628 320 L HA -0.095 4.243 4.340 -0.004 0.000 0.274 320 L C 1.331 178.218 176.870 0.028 0.000 1.209 320 L CA 0.859 55.711 54.840 0.021 0.000 0.930 320 L CB 0.427 42.501 42.059 0.024 0.000 1.183 320 L HN 0.237 nan 8.230 nan 0.000 0.492 321 E N 3.289 123.502 120.200 0.022 0.000 2.485 321 E HA 0.191 4.539 4.350 -0.004 0.000 0.213 321 E C -0.370 176.247 176.600 0.027 0.000 0.923 321 E CA -0.153 56.263 56.400 0.028 0.000 1.054 321 E CB 0.413 30.128 29.700 0.024 0.000 1.077 321 E HN 0.360 nan 8.360 nan 0.000 0.509 322 V N 2.172 122.095 119.914 0.015 0.000 2.588 322 V HA 0.440 4.558 4.120 -0.004 0.000 0.304 322 V C -1.232 174.868 176.094 0.011 0.000 1.042 322 V CA -0.998 61.308 62.300 0.010 0.000 0.877 322 V CB 2.017 33.829 31.823 -0.018 0.000 0.996 322 V HN 0.203 nan 8.190 nan 0.000 0.425 323 L N 4.060 125.299 121.223 0.026 0.000 2.438 323 L HA 0.699 5.036 4.340 -0.004 0.000 0.270 323 L C -0.736 176.154 176.870 0.033 0.000 0.972 323 L CA 0.038 54.895 54.840 0.028 0.000 0.831 323 L CB 2.166 44.253 42.059 0.046 0.000 1.273 323 L HN 0.735 nan 8.230 nan 0.000 0.405 324 E N 3.043 123.252 120.200 0.015 0.000 2.199 324 E HA 0.638 4.986 4.350 -0.004 0.000 0.265 324 E C -1.190 175.410 176.600 0.000 0.000 0.882 324 E CA -0.535 55.870 56.400 0.009 0.000 0.759 324 E CB 2.241 31.931 29.700 -0.017 0.000 1.148 324 E HN 0.678 nan 8.360 nan 0.000 0.412 325 T N 1.269 115.829 114.554 0.012 0.000 2.731 325 T HA 0.424 4.772 4.350 -0.004 0.000 0.300 325 T C -1.010 173.682 174.700 -0.015 0.000 1.283 325 T CA -0.675 61.439 62.100 0.022 0.000 1.005 325 T CB 1.174 70.120 68.868 0.130 0.000 1.420 325 T HN 0.331 nan 8.240 nan 0.000 0.503 326 R N 1.002 121.491 120.500 -0.019 0.000 2.549 326 R HA 0.363 4.700 4.340 -0.004 0.000 0.259 326 R C 1.643 177.903 176.300 -0.067 0.000 1.095 326 R CA -0.281 55.787 56.100 -0.053 0.000 1.148 326 R CB 0.290 30.556 30.300 -0.056 0.000 1.181 326 R HN 0.844 nan 8.270 nan 0.000 0.571 327 N N -0.318 118.342 118.700 -0.066 0.000 2.520 327 N HA -0.118 4.620 4.740 -0.004 0.000 0.185 327 N C 1.124 176.572 175.510 -0.104 0.000 1.068 327 N CA 0.326 53.339 53.050 -0.062 0.000 0.911 327 N CB -0.084 38.383 38.487 -0.033 0.000 0.961 327 N HN 0.140 nan 8.380 nan 0.000 0.446 328 V N 1.496 121.336 119.914 -0.124 0.000 2.453 328 V HA -0.254 3.864 4.120 -0.004 0.000 0.252 328 V C 2.390 178.281 176.094 -0.338 0.000 1.068 328 V CA 1.295 63.499 62.300 -0.159 0.000 1.070 328 V CB -0.710 31.062 31.823 -0.085 0.000 0.664 328 V HN 0.351 nan 8.190 nan 0.000 0.461 329 I N 0.694 120.934 120.570 -0.549 0.000 2.227 329 I HA -0.129 4.039 4.170 -0.004 0.000 0.250 329 I C 1.291 177.251 176.117 -0.262 0.000 1.087 329 I CA 1.539 62.462 61.300 -0.629 0.000 1.352 329 I CB -0.811 36.999 38.000 -0.315 0.000 1.043 329 I HN 0.518 nan 8.210 nan 0.000 0.425 330 G N -0.358 108.350 108.800 -0.155 0.000 2.880 330 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.617 330 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.617 330 G C 0.378 175.257 174.900 -0.035 0.000 1.493 330 G CA -0.018 45.038 45.100 -0.073 0.000 0.916 330 G HN 0.316 nan 8.290 nan 0.000 0.553 331 D N 0.047 120.439 120.400 -0.013 0.000 2.123 331 D HA -0.119 4.518 4.640 -0.004 0.000 0.196 331 D C 2.389 178.694 176.300 0.010 0.000 0.992 331 D CA 1.512 55.515 54.000 0.004 0.000 0.833 331 D CB -0.035 40.771 40.800 0.010 0.000 0.954 331 D HN 0.547 nan 8.370 nan 0.000 0.455 332 R N 0.583 121.088 120.500 0.008 0.000 2.083 332 R HA -0.129 4.209 4.340 -0.004 0.000 0.237 332 R C 2.381 178.700 176.300 0.031 0.000 1.137 332 R CA 1.930 58.042 56.100 0.021 0.000 0.951 332 R CB -0.605 29.708 30.300 0.021 0.000 0.851 332 R HN 0.167 nan 8.270 nan 0.000 0.434 333 G N 0.750 109.560 108.800 0.016 0.000 2.440 333 G HA2 -0.259 3.698 3.960 -0.004 0.000 0.218 333 G HA3 -0.259 3.698 3.960 -0.004 0.000 0.218 333 G C 1.438 176.364 174.900 0.044 0.000 1.154 333 G CA 0.925 46.043 45.100 0.031 0.000 0.767 333 G HN 0.278 nan 8.290 nan 0.000 0.552 334 L N -0.097 121.142 121.223 0.025 0.000 2.083 334 L HA -0.066 4.271 4.340 -0.004 0.000 0.209 334 L C 2.876 179.772 176.870 0.044 0.000 1.083 334 L CA 1.312 56.174 54.840 0.036 0.000 0.752 334 L CB -0.315 41.760 42.059 0.027 0.000 0.899 334 L HN 0.272 nan 8.230 nan 0.000 0.433 335 E N -0.669 119.555 120.200 0.040 0.000 2.077 335 E HA -0.194 4.153 4.350 -0.004 0.000 0.193 335 E C 2.222 178.860 176.600 0.064 0.000 0.989 335 E CA 1.368 57.791 56.400 0.037 0.000 0.800 335 E CB 0.009 29.727 29.700 0.031 0.000 0.746 335 E HN 0.256 nan 8.360 nan 0.000 0.452 336 V N 1.114 121.092 119.914 0.106 0.000 2.261 336 V HA -0.265 3.853 4.120 -0.004 0.000 0.246 336 V C 2.301 178.537 176.094 0.236 0.000 1.047 336 V CA 1.496 63.919 62.300 0.205 0.000 1.015 336 V CB -0.498 31.428 31.823 0.171 0.000 0.642 336 V HN 0.263 nan 8.190 nan 0.000 0.446 337 L N 0.924 122.235 121.223 0.147 0.000 2.043 337 L HA -0.202 4.136 4.340 -0.004 0.000 0.212 337 L C 2.503 179.425 176.870 0.086 0.000 1.075 337 L CA 2.333 57.247 54.840 0.122 0.000 0.752 337 L CB -0.992 41.118 42.059 0.086 0.000 0.891 337 L HN 0.268 nan 8.230 nan 0.000 0.432 338 A N -0.944 121.904 122.820 0.047 0.000 1.917 338 A HA -0.269 4.048 4.320 -0.004 0.000 0.219 338 A C 2.162 179.714 177.584 -0.054 0.000 1.182 338 A CA 2.173 54.208 52.037 -0.005 0.000 0.633 338 A CB -0.556 18.432 19.000 -0.019 0.000 0.819 338 A HN 0.725 nan 8.150 nan 0.000 0.448 339 Q N -2.742 116.989 119.800 -0.114 0.000 2.246 339 Q HA 0.100 4.438 4.340 -0.004 0.000 0.222 339 Q C 1.097 176.905 176.000 -0.321 0.000 0.851 339 Q CA 0.275 55.935 55.803 -0.238 0.000 0.945 339 Q CB -0.103 28.440 28.738 -0.325 0.000 1.122 339 Q HN 0.692 nan 8.270 nan 0.000 0.508 340 Y N 0.308 120.607 120.300 -0.001 0.000 2.436 340 Y HA 0.167 4.715 4.550 -0.004 0.000 0.288 340 Y C 1.007 176.909 175.900 0.003 0.000 1.112 340 Y CA 0.157 58.257 58.100 0.000 0.000 1.220 340 Y CB 0.823 39.284 38.460 0.002 0.000 1.073 340 Y HN 0.127 nan 8.280 nan 0.000 0.552 341 C N 2.127 121.508 119.300 0.136 0.000 2.248 341 C HA 0.314 4.772 4.460 -0.004 0.000 0.320 341 C C 1.146 176.165 174.990 0.048 0.000 1.065 341 C CA -1.293 57.776 59.018 0.086 0.000 1.558 341 C CB -0.035 27.756 27.740 0.084 0.000 1.787 341 C HN 0.306 nan 8.230 nan 0.000 0.426 342 K N 1.000 121.419 120.400 0.032 0.000 2.314 342 K HA -0.005 4.313 4.320 -0.004 0.000 0.198 342 K C 1.482 178.097 176.600 0.025 0.000 1.045 342 K CA 0.876 57.172 56.287 0.015 0.000 0.988 342 K CB 0.195 32.695 32.500 0.000 0.000 0.783 342 K HN 0.660 nan 8.250 nan 0.000 0.484 343 Q N 0.767 120.587 119.800 0.032 0.000 2.365 343 Q HA 0.068 4.406 4.340 -0.004 0.000 0.203 343 Q C 0.478 176.502 176.000 0.039 0.000 0.929 343 Q CA -0.202 55.621 55.803 0.033 0.000 0.948 343 Q CB -0.604 28.152 28.738 0.030 0.000 1.043 343 Q HN 0.088 nan 8.270 nan 0.000 0.505 344 L N 2.241 123.491 121.223 0.045 0.000 2.559 344 L HA -0.094 4.244 4.340 -0.004 0.000 0.274 344 L C 1.004 177.912 176.870 0.063 0.000 1.205 344 L CA 0.843 55.716 54.840 0.054 0.000 0.907 344 L CB 0.520 42.615 42.059 0.060 0.000 1.153 344 L HN -0.058 nan 8.230 nan 0.000 0.490 345 K N 4.549 124.989 120.400 0.066 0.000 2.387 345 K HA 0.258 4.576 4.320 -0.004 0.000 0.197 345 K C -0.070 176.600 176.600 0.116 0.000 1.127 345 K CA 0.322 56.657 56.287 0.081 0.000 0.950 345 K CB 0.674 33.210 32.500 0.061 0.000 1.017 345 K HN 0.543 nan 8.250 nan 0.000 0.519 346 R N 0.936 121.499 120.500 0.106 0.000 2.574 346 R HA 0.443 4.781 4.340 -0.004 0.000 0.288 346 R C -1.402 174.991 176.300 0.155 0.000 1.004 346 R CA -0.746 55.449 56.100 0.158 0.000 0.895 346 R CB 1.903 32.224 30.300 0.035 0.000 1.191 346 R HN -0.114 nan 8.270 nan 0.000 0.444 347 L N 2.166 123.533 121.223 0.241 0.000 2.409 347 L HA 0.549 4.887 4.340 -0.004 0.000 0.272 347 L C -1.157 175.846 176.870 0.220 0.000 0.980 347 L CA -0.442 54.502 54.840 0.174 0.000 0.826 347 L CB 1.774 43.907 42.059 0.123 0.000 1.268 347 L HN 0.646 nan 8.230 nan 0.000 0.407 348 R N 5.837 126.437 120.500 0.167 0.000 2.561 348 R HA 0.669 5.006 4.340 -0.004 0.000 0.297 348 R C -1.469 174.889 176.300 0.098 0.000 0.969 348 R CA -0.627 55.575 56.100 0.169 0.000 0.879 348 R CB 1.277 31.692 30.300 0.192 0.000 1.178 348 R HN 0.737 nan 8.270 nan 0.000 0.445 349 I N 4.159 124.785 120.570 0.095 0.000 2.621 349 I HA 0.242 4.410 4.170 -0.004 0.000 0.276 349 I C 0.225 176.426 176.117 0.140 0.000 1.118 349 I CA -0.614 60.733 61.300 0.079 0.000 1.159 349 I CB 0.840 38.875 38.000 0.060 0.000 1.357 349 I HN 0.579 nan 8.210 nan 0.000 0.513 350 E N 4.152 124.404 120.200 0.087 0.000 2.428 350 E HA 0.106 4.453 4.350 -0.004 0.000 0.257 350 E C 0.309 176.823 176.600 -0.144 0.000 1.197 350 E CA -0.196 56.233 56.400 0.049 0.000 0.974 350 E CB 1.132 30.814 29.700 -0.031 0.000 0.976 350 E HN 0.517 nan 8.360 nan 0.000 0.463 351 R N -0.428 119.768 120.500 -0.506 0.000 2.265 351 R HA 0.550 4.888 4.340 -0.004 0.000 0.319 351 R C 0.397 176.538 176.300 -0.264 0.000 1.006 351 R CA -0.474 55.345 56.100 -0.467 0.000 0.880 351 R CB 1.033 30.841 30.300 -0.821 0.000 1.077 351 R HN 0.400 nan 8.270 nan 0.000 0.454 352 G N 1.573 110.281 108.800 -0.154 0.000 2.509 352 G HA2 0.404 4.361 3.960 -0.004 0.000 0.269 352 G HA3 0.404 4.361 3.960 -0.004 0.000 0.269 352 G C -0.593 174.265 174.900 -0.071 0.000 1.416 352 G CA -0.701 44.344 45.100 -0.091 0.000 1.052 352 G HN 0.843 nan 8.290 nan 0.000 0.542 353 A N 0.098 122.897 122.820 -0.035 0.000 2.541 353 A HA 0.294 4.612 4.320 -0.004 0.000 0.293 353 A C 0.352 177.923 177.584 -0.023 0.000 1.307 353 A CA -0.106 51.918 52.037 -0.021 0.000 0.978 353 A CB -0.262 18.738 19.000 -0.000 0.000 1.111 353 A HN 0.475 nan 8.150 nan 0.000 0.535 354 D N 2.606 122.987 120.400 -0.031 0.000 2.881 354 D HA 0.073 4.711 4.640 -0.004 0.000 0.240 354 D C 0.761 177.054 176.300 -0.012 0.000 1.249 354 D CA 0.382 54.368 54.000 -0.024 0.000 0.839 354 D CB 0.492 41.273 40.800 -0.033 0.000 1.042 354 D HN 0.774 nan 8.370 nan 0.000 0.475 355 E N -0.244 119.952 120.200 -0.007 0.000 2.406 355 E HA 0.058 4.405 4.350 -0.004 0.000 0.200 355 E C 0.184 176.784 176.600 0.001 0.000 1.034 355 E CA -0.301 56.099 56.400 -0.001 0.000 1.057 355 E CB 0.214 29.915 29.700 0.002 0.000 1.751 355 E HN -0.022 nan 8.360 nan 0.000 0.525 356 Q N 1.811 121.613 119.800 0.003 0.000 2.534 356 Q HA 0.287 4.624 4.340 -0.004 0.000 0.223 356 Q C 0.422 176.424 176.000 0.004 0.000 1.239 356 Q CA 0.393 56.199 55.803 0.005 0.000 0.936 356 Q CB 0.251 28.993 28.738 0.007 0.000 1.457 356 Q HN 0.529 nan 8.270 nan 0.000 0.547 357 G N 2.270 111.071 108.800 0.002 0.000 2.740 357 G HA2 -0.284 3.673 3.960 -0.004 0.000 0.250 357 G HA3 -0.284 3.673 3.960 -0.004 0.000 0.250 357 G C 0.339 175.238 174.900 -0.001 0.000 1.358 357 G CA -0.383 44.718 45.100 0.001 0.000 0.897 357 G HN 0.427 nan 8.290 nan 0.000 0.567 358 M N -0.423 119.175 119.600 -0.003 0.000 1.682 358 M HA 0.185 4.662 4.480 -0.004 0.000 0.110 358 M C 1.998 178.297 176.300 -0.002 0.000 1.049 358 M CA 0.946 56.241 55.300 -0.007 0.000 0.634 358 M CB -0.952 31.641 32.600 -0.011 0.000 0.771 358 M HN 0.746 nan 8.290 nan 0.000 0.342 359 E N -0.257 119.942 120.200 -0.003 0.000 2.447 359 E HA -0.035 4.313 4.350 -0.004 0.000 0.195 359 E C -0.712 175.896 176.600 0.014 0.000 1.028 359 E CA 0.341 56.747 56.400 0.009 0.000 0.876 359 E CB 0.318 30.027 29.700 0.014 0.000 0.885 359 E HN 0.601 nan 8.360 nan 0.000 0.500 360 D N -1.356 119.048 120.400 0.007 0.000 2.921 360 D HA 0.021 4.658 4.640 -0.004 0.000 0.329 360 D C 0.188 176.491 176.300 0.005 0.000 1.293 360 D CA -0.646 53.360 54.000 0.010 0.000 0.964 360 D CB 0.014 40.824 40.800 0.017 0.000 1.435 360 D HN -0.231 nan 8.370 nan 0.000 0.548 361 E N -0.836 119.369 120.200 0.007 0.000 2.479 361 E HA 0.083 4.431 4.350 -0.004 0.000 0.193 361 E C 0.402 177.004 176.600 0.003 0.000 1.049 361 E CA 0.635 57.038 56.400 0.005 0.000 0.870 361 E CB 0.173 29.877 29.700 0.007 0.000 0.944 361 E HN 0.477 nan 8.360 nan 0.000 0.492 362 E N -1.234 118.967 120.200 0.001 0.000 2.498 362 E HA 0.142 4.490 4.350 -0.004 0.000 0.203 362 E C 0.985 177.575 176.600 -0.016 0.000 1.013 362 E CA 0.277 56.675 56.400 -0.003 0.000 0.927 362 E CB 0.749 30.449 29.700 0.000 0.000 1.012 362 E HN 0.163 nan 8.360 nan 0.000 0.482 363 G N 1.618 110.407 108.800 -0.019 0.000 3.352 363 G HA2 0.171 4.129 3.960 -0.004 0.000 0.236 363 G HA3 0.171 4.129 3.960 -0.004 0.000 0.236 363 G C -0.102 174.781 174.900 -0.028 0.000 1.324 363 G CA 0.133 45.213 45.100 -0.033 0.000 1.404 363 G HN -0.069 nan 8.290 nan 0.000 0.542 364 L N 0.277 121.488 121.223 -0.019 0.000 2.365 364 L HA 0.543 4.880 4.340 -0.004 0.000 0.273 364 L C 0.125 176.990 176.870 -0.008 0.000 1.000 364 L CA -1.120 53.715 54.840 -0.009 0.000 0.819 364 L CB 2.266 44.324 42.059 -0.002 0.000 1.284 364 L HN 0.017 nan 8.230 nan 0.000 0.418 365 V N -0.227 119.688 119.914 0.001 0.000 2.630 365 V HA 1.029 5.146 4.120 -0.004 0.000 0.305 365 V C -0.022 176.083 176.094 0.018 0.000 1.046 365 V CA -0.344 61.961 62.300 0.008 0.000 0.934 365 V CB 1.456 33.286 31.823 0.012 0.000 1.003 365 V HN 0.905 nan 8.190 nan 0.000 0.451 366 S N 1.796 117.510 115.700 0.024 0.000 2.688 366 S HA 0.434 4.902 4.470 -0.004 0.000 0.275 366 S C 0.513 175.137 174.600 0.039 0.000 1.175 366 S CA -0.339 57.878 58.200 0.028 0.000 0.818 366 S CB 1.610 64.823 63.200 0.022 0.000 1.157 366 S HN 0.682 nan 8.310 nan 0.000 0.482 367 Q N 0.887 120.713 119.800 0.043 0.000 2.142 367 Q HA -0.226 4.112 4.340 -0.004 0.000 0.213 367 Q C 2.099 178.128 176.000 0.047 0.000 1.004 367 Q CA 2.606 58.439 55.803 0.051 0.000 0.883 367 Q CB -0.537 28.228 28.738 0.044 0.000 0.939 367 Q HN 0.716 nan 8.270 nan 0.000 0.413 368 R N -0.061 120.461 120.500 0.037 0.000 2.097 368 R HA -0.165 4.173 4.340 -0.004 0.000 0.236 368 R C 2.364 178.684 176.300 0.033 0.000 1.135 368 R CA 1.887 58.006 56.100 0.031 0.000 0.934 368 R CB -0.900 29.414 30.300 0.024 0.000 0.846 368 R HN 0.415 nan 8.270 nan 0.000 0.431 369 G N 0.765 109.585 108.800 0.032 0.000 2.446 369 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.217 369 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.217 369 G C 1.507 176.434 174.900 0.046 0.000 1.168 369 G CA 0.936 46.056 45.100 0.033 0.000 0.771 369 G HN 0.263 nan 8.290 nan 0.000 0.551 370 L N -0.038 121.220 121.223 0.059 0.000 1.994 370 L HA -0.013 4.325 4.340 -0.004 0.000 0.208 370 L C 2.717 179.637 176.870 0.083 0.000 1.071 370 L CA 1.071 55.961 54.840 0.084 0.000 0.745 370 L CB -0.312 41.811 42.059 0.107 0.000 0.892 370 L HN 0.256 nan 8.230 nan 0.000 0.431 371 I N -0.577 120.037 120.570 0.073 0.000 2.493 371 I HA -0.232 3.935 4.170 -0.004 0.000 0.254 371 I C 2.526 178.670 176.117 0.045 0.000 1.160 371 I CA 1.058 62.403 61.300 0.075 0.000 1.445 371 I CB 0.013 38.057 38.000 0.073 0.000 1.086 371 I HN 0.192 nan 8.210 nan 0.000 0.433 372 A N 0.696 123.533 122.820 0.029 0.000 1.873 372 A HA -0.215 4.103 4.320 -0.004 0.000 0.215 372 A C 2.189 179.768 177.584 -0.008 0.000 1.186 372 A CA 1.803 53.842 52.037 0.002 0.000 0.616 372 A CB -0.942 18.064 19.000 0.009 0.000 0.823 372 A HN 0.507 nan 8.150 nan 0.000 0.442 373 L N -0.153 121.082 121.223 0.021 0.000 2.046 373 L HA -0.035 4.303 4.340 -0.004 0.000 0.208 373 L C 2.623 179.509 176.870 0.025 0.000 1.077 373 L CA 2.240 57.098 54.840 0.030 0.000 0.747 373 L CB -0.739 41.355 42.059 0.058 0.000 0.896 373 L HN 0.329 nan 8.230 nan 0.000 0.432 374 A N -1.094 121.757 122.820 0.052 0.000 1.978 374 A HA -0.258 4.059 4.320 -0.004 0.000 0.220 374 A C 2.165 179.729 177.584 -0.035 0.000 1.170 374 A CA 2.009 54.095 52.037 0.082 0.000 0.636 374 A CB -0.518 18.575 19.000 0.156 0.000 0.810 374 A HN 0.728 nan 8.150 nan 0.000 0.448 375 Q N -1.297 118.399 119.800 -0.173 0.000 2.250 375 Q HA 0.031 4.369 4.340 -0.004 0.000 0.200 375 Q C 2.196 178.012 176.000 -0.308 0.000 0.941 375 Q CA 0.835 56.350 55.803 -0.480 0.000 0.872 375 Q CB -0.164 28.324 28.738 -0.416 0.000 0.965 375 Q HN 0.643 nan 8.270 nan 0.000 0.480 376 G N 0.497 109.205 108.800 -0.153 0.000 2.417 376 G HA2 -0.115 3.842 3.960 -0.004 0.000 0.212 376 G HA3 -0.115 3.842 3.960 -0.004 0.000 0.212 376 G C 0.552 175.416 174.900 -0.059 0.000 1.187 376 G CA 0.232 45.270 45.100 -0.102 0.000 0.804 376 G HN 0.330 nan 8.290 nan 0.000 0.534 377 C N 1.858 121.146 119.300 -0.020 0.000 2.225 377 C HA 0.422 4.879 4.460 -0.004 0.000 0.437 377 C C 1.389 176.400 174.990 0.035 0.000 1.039 377 C CA -0.690 58.338 59.018 0.016 0.000 1.406 377 C CB -0.764 27.001 27.740 0.041 0.000 1.548 377 C HN 0.508 nan 8.230 nan 0.000 0.515 378 Q N 0.131 119.946 119.800 0.025 0.000 2.444 378 Q HA -0.031 4.307 4.340 -0.004 0.000 0.206 378 Q C 1.397 177.435 176.000 0.065 0.000 0.948 378 Q CA 0.725 56.560 55.803 0.054 0.000 0.946 378 Q CB 0.343 29.112 28.738 0.052 0.000 1.027 378 Q HN 0.758 nan 8.270 nan 0.000 0.513 379 E N 0.354 120.588 120.200 0.057 0.000 2.479 379 E HA 0.082 4.430 4.350 -0.004 0.000 0.193 379 E C -0.179 176.466 176.600 0.076 0.000 1.049 379 E CA -0.228 56.209 56.400 0.060 0.000 0.870 379 E CB 0.353 30.082 29.700 0.048 0.000 0.944 379 E HN 0.305 nan 8.360 nan 0.000 0.492 380 L N 1.684 122.960 121.223 0.089 0.000 2.578 380 L HA -0.111 4.227 4.340 -0.004 0.000 0.279 380 L C 1.144 178.091 176.870 0.129 0.000 1.227 380 L CA 0.888 55.797 54.840 0.115 0.000 0.900 380 L CB 0.331 42.466 42.059 0.127 0.000 1.144 380 L HN 0.185 nan 8.230 nan 0.000 0.496 381 E N 2.419 122.710 120.200 0.152 0.000 2.421 381 E HA 0.032 4.379 4.350 -0.004 0.000 0.209 381 E C -0.830 175.913 176.600 0.237 0.000 0.871 381 E CA 0.017 56.517 56.400 0.167 0.000 1.064 381 E CB 0.817 30.602 29.700 0.141 0.000 1.075 381 E HN 0.480 nan 8.360 nan 0.000 0.513 382 Y N 1.303 121.664 120.300 0.102 0.000 2.373 382 Y HA 0.506 5.053 4.550 -0.004 0.000 0.336 382 Y C -1.292 174.666 175.900 0.097 0.000 0.979 382 Y CA -0.879 57.283 58.100 0.104 0.000 1.080 382 Y CB 1.350 39.853 38.460 0.071 0.000 1.190 382 Y HN -0.196 nan 8.280 nan 0.000 0.446 383 M N 6.284 125.760 119.600 -0.208 0.000 2.124 383 M HA 0.760 5.237 4.480 -0.004 0.000 0.280 383 M C -1.945 174.081 176.300 -0.455 0.000 0.954 383 M CA -0.511 54.698 55.300 -0.151 0.000 0.958 383 M CB 1.094 33.730 32.600 0.060 0.000 1.611 383 M HN 0.842 nan 8.290 nan 0.000 0.449 384 A N 4.687 127.314 122.820 -0.321 0.000 2.330 384 A HA 0.845 5.163 4.320 -0.004 0.000 0.313 384 A C -1.527 175.961 177.584 -0.159 0.000 1.124 384 A CA -0.551 51.297 52.037 -0.314 0.000 0.774 384 A CB 1.543 20.436 19.000 -0.178 0.000 1.198 384 A HN 0.595 nan 8.150 nan 0.000 0.465 385 V N 2.702 122.466 119.914 -0.250 0.000 2.733 385 V HA 0.297 4.415 4.120 -0.004 0.000 0.306 385 V C -1.636 174.352 176.094 -0.177 0.000 1.084 385 V CA -0.422 61.800 62.300 -0.131 0.000 0.905 385 V CB 1.871 33.620 31.823 -0.123 0.000 1.010 385 V HN 0.809 nan 8.190 nan 0.000 0.424 386 Y N 3.454 123.704 120.300 -0.083 0.000 2.454 386 Y HA 0.548 5.096 4.550 -0.004 0.000 0.345 386 Y C 0.240 176.105 175.900 -0.059 0.000 0.970 386 Y CA -0.173 57.880 58.100 -0.078 0.000 1.204 386 Y CB 1.747 40.168 38.460 -0.065 0.000 1.122 386 Y HN 0.442 nan 8.280 nan 0.000 0.514 387 V N 2.853 122.798 119.914 0.051 0.000 2.713 387 V HA 0.291 4.408 4.120 -0.004 0.000 0.307 387 V C 0.416 176.530 176.094 0.033 0.000 1.052 387 V CA -0.093 62.227 62.300 0.032 0.000 0.967 387 V CB 1.990 33.817 31.823 0.008 0.000 1.019 387 V HN 0.864 nan 8.190 nan 0.000 0.459 388 S N 3.129 118.844 115.700 0.025 0.000 2.535 388 S HA 0.258 4.725 4.470 -0.004 0.000 0.214 388 S C -0.177 174.430 174.600 0.011 0.000 0.980 388 S CA -0.042 58.168 58.200 0.018 0.000 0.907 388 S CB -0.006 63.202 63.200 0.013 0.000 0.790 388 S HN 0.857 nan 8.310 nan 0.000 0.510 389 D N 0.322 120.730 120.400 0.013 0.000 2.711 389 D HA 0.416 5.053 4.640 -0.004 0.000 0.204 389 D C -1.598 174.715 176.300 0.023 0.000 1.257 389 D CA -0.542 53.466 54.000 0.014 0.000 0.808 389 D CB 0.878 41.687 40.800 0.014 0.000 1.780 389 D HN 0.015 nan 8.370 nan 0.000 0.537 390 I N 0.160 120.746 120.570 0.026 0.000 3.067 390 I HA 0.847 5.015 4.170 -0.004 0.000 0.312 390 I C -0.027 176.120 176.117 0.050 0.000 1.073 390 I CA -0.836 60.492 61.300 0.046 0.000 1.016 390 I CB 1.857 39.892 38.000 0.059 0.000 1.227 390 I HN 0.229 nan 8.210 nan 0.000 0.456 391 T N -0.012 114.581 114.554 0.064 0.000 2.909 391 T HA 0.353 4.701 4.350 -0.004 0.000 0.299 391 T C 0.518 175.263 174.700 0.075 0.000 1.073 391 T CA -0.578 61.559 62.100 0.061 0.000 0.999 391 T CB 1.112 70.010 68.868 0.049 0.000 1.098 391 T HN 0.656 nan 8.240 nan 0.000 0.477 392 N N 1.722 120.465 118.700 0.072 0.000 2.184 392 N HA -0.158 4.579 4.740 -0.004 0.000 0.190 392 N C 1.540 177.082 175.510 0.052 0.000 1.011 392 N CA 1.423 54.516 53.050 0.072 0.000 0.867 392 N CB 0.060 38.582 38.487 0.058 0.000 0.993 392 N HN 0.761 nan 8.380 nan 0.000 0.433 393 E N 0.887 121.114 120.200 0.045 0.000 2.051 393 E HA -0.167 4.180 4.350 -0.004 0.000 0.192 393 E C 1.988 178.615 176.600 0.045 0.000 0.991 393 E CA 1.625 58.047 56.400 0.036 0.000 0.799 393 E CB 0.096 29.817 29.700 0.036 0.000 0.748 393 E HN 0.399 nan 8.360 nan 0.000 0.449 394 S N 1.053 116.791 115.700 0.063 0.000 2.370 394 S HA -0.177 4.291 4.470 -0.004 0.000 0.226 394 S C 2.172 176.820 174.600 0.080 0.000 1.033 394 S CA 1.231 59.479 58.200 0.080 0.000 1.011 394 S CB -0.766 62.490 63.200 0.093 0.000 0.852 394 S HN 0.302 nan 8.310 nan 0.000 0.457 395 L N 1.327 122.598 121.223 0.080 0.000 2.131 395 L HA -0.093 4.244 4.340 -0.004 0.000 0.210 395 L C 2.851 179.710 176.870 -0.018 0.000 1.092 395 L CA 1.602 56.471 54.840 0.048 0.000 0.759 395 L CB -0.829 41.279 42.059 0.081 0.000 0.903 395 L HN 0.401 nan 8.230 nan 0.000 0.435 396 E N 0.366 120.558 120.200 -0.014 0.000 2.077 396 E HA -0.170 4.178 4.350 -0.004 0.000 0.193 396 E C 2.326 178.894 176.600 -0.053 0.000 0.989 396 E CA 1.617 57.985 56.400 -0.053 0.000 0.800 396 E CB -0.056 29.615 29.700 -0.048 0.000 0.746 396 E HN 0.546 nan 8.360 nan 0.000 0.452 397 S N 1.115 116.819 115.700 0.007 0.000 2.383 397 S HA -0.114 4.354 4.470 -0.004 0.000 0.227 397 S C 2.053 176.708 174.600 0.092 0.000 1.026 397 S CA 0.505 58.744 58.200 0.066 0.000 0.981 397 S CB -0.232 63.064 63.200 0.160 0.000 0.818 397 S HN 0.116 nan 8.310 nan 0.000 0.472 398 I N 2.784 123.387 120.570 0.056 0.000 2.069 398 I HA -0.166 4.001 4.170 -0.004 0.000 0.237 398 I C 2.823 178.926 176.117 -0.025 0.000 1.053 398 I CA 1.979 63.298 61.300 0.032 0.000 1.311 398 I CB -1.934 36.034 38.000 -0.054 0.000 1.030 398 I HN 0.479 nan 8.210 nan 0.000 0.398 399 G N -1.035 107.708 108.800 -0.096 0.000 2.535 399 G HA2 -0.195 3.762 3.960 -0.004 0.000 0.218 399 G HA3 -0.195 3.762 3.960 -0.004 0.000 0.218 399 G C 1.680 176.507 174.900 -0.122 0.000 1.122 399 G CA 1.187 46.212 45.100 -0.126 0.000 0.769 399 G HN 0.350 nan 8.290 nan 0.000 0.549 400 T N -1.478 112.994 114.554 -0.137 0.000 3.010 400 T HA 0.140 4.488 4.350 -0.004 0.000 0.252 400 T C 1.777 176.305 174.700 -0.287 0.000 1.047 400 T CA 0.527 62.471 62.100 -0.261 0.000 1.140 400 T CB 0.018 68.657 68.868 -0.383 0.000 0.885 400 T HN 0.405 nan 8.240 nan 0.000 0.464 401 Y N 0.383 120.672 120.300 -0.018 0.000 2.500 401 Y HA 0.360 4.907 4.550 -0.004 0.000 0.284 401 Y C 0.162 176.064 175.900 0.004 0.000 1.118 401 Y CA -0.409 57.688 58.100 -0.004 0.000 1.241 401 Y CB 0.561 39.023 38.460 0.004 0.000 1.171 401 Y HN 0.082 nan 8.280 nan 0.000 0.540 402 L N -0.490 120.826 121.223 0.156 0.000 2.297 402 L HA 0.526 4.864 4.340 -0.004 0.000 0.277 402 L C 0.164 177.076 176.870 0.069 0.000 1.040 402 L CA -0.516 54.392 54.840 0.112 0.000 0.867 402 L CB 1.071 43.202 42.059 0.119 0.000 1.244 402 L HN -0.254 nan 8.230 nan 0.000 0.433 403 K N 1.756 122.191 120.400 0.057 0.000 2.137 403 K HA 0.054 4.372 4.320 -0.004 0.000 0.202 403 K C 0.904 177.529 176.600 0.041 0.000 1.052 403 K CA 1.012 57.318 56.287 0.032 0.000 0.961 403 K CB 0.037 32.551 32.500 0.023 0.000 0.741 403 K HN 0.792 nan 8.250 nan 0.000 0.452 404 N N 0.709 119.443 118.700 0.057 0.000 2.389 404 N HA 0.025 4.763 4.740 -0.004 0.000 0.237 404 N C -0.445 175.117 175.510 0.087 0.000 1.148 404 N CA -0.023 53.065 53.050 0.064 0.000 0.854 404 N CB -0.216 38.307 38.487 0.059 0.000 1.115 404 N HN 0.039 nan 8.380 nan 0.000 0.492 405 L N 0.364 121.643 121.223 0.094 0.000 2.562 405 L HA -0.027 4.311 4.340 -0.004 0.000 0.271 405 L C 0.336 177.286 176.870 0.134 0.000 1.167 405 L CA -0.097 54.820 54.840 0.129 0.000 0.917 405 L CB 0.367 42.503 42.059 0.129 0.000 1.187 405 L HN 0.400 nan 8.230 nan 0.000 0.482 406 C N 2.217 121.613 119.300 0.159 0.000 2.609 406 C HA 0.200 4.657 4.460 -0.004 0.000 0.305 406 C C 0.622 175.738 174.990 0.210 0.000 1.319 406 C CA -0.175 58.942 59.018 0.165 0.000 1.793 406 C CB -0.078 27.755 27.740 0.155 0.000 2.260 406 C HN 0.734 nan 8.230 nan 0.000 0.535 407 D N -0.065 120.463 120.400 0.213 0.000 2.620 407 D HA 0.393 5.031 4.640 -0.004 0.000 0.252 407 D C -1.674 174.686 176.300 0.099 0.000 1.207 407 D CA -0.121 53.990 54.000 0.185 0.000 0.884 407 D CB 1.063 41.978 40.800 0.192 0.000 1.262 407 D HN 0.208 nan 8.370 nan 0.000 0.552 408 F N 4.189 124.171 119.950 0.054 0.000 2.536 408 F HA 0.527 5.051 4.527 -0.004 0.000 0.322 408 F C -0.956 174.818 175.800 -0.042 0.000 1.144 408 F CA -0.592 57.418 58.000 0.017 0.000 0.924 408 F CB 1.045 40.147 39.000 0.170 0.000 1.181 408 F HN 0.166 nan 8.300 nan 0.000 0.438 409 R N 6.916 126.942 120.500 -0.790 0.000 2.575 409 R HA 0.657 4.994 4.340 -0.004 0.000 0.293 409 R C -2.039 173.784 176.300 -0.795 0.000 0.983 409 R CA -1.125 54.619 56.100 -0.593 0.000 0.887 409 R CB 2.524 32.636 30.300 -0.314 0.000 1.184 409 R HN 0.544 nan 8.270 nan 0.000 0.445 410 L N 3.366 124.260 121.223 -0.549 0.000 2.410 410 L HA 0.603 4.940 4.340 -0.004 0.000 0.270 410 L C -1.464 175.175 176.870 -0.386 0.000 0.983 410 L CA -0.793 53.789 54.840 -0.430 0.000 0.822 410 L CB 2.293 44.244 42.059 -0.180 0.000 1.285 410 L HN 0.441 nan 8.230 nan 0.000 0.409 411 V N 5.687 125.355 119.914 -0.409 0.000 2.623 411 V HA 0.383 4.501 4.120 -0.004 0.000 0.304 411 V C -0.485 175.503 176.094 -0.176 0.000 1.054 411 V CA -0.755 61.340 62.300 -0.341 0.000 0.882 411 V CB 2.115 33.525 31.823 -0.688 0.000 1.002 411 V HN 0.653 nan 8.190 nan 0.000 0.424 412 L N 4.978 126.159 121.223 -0.070 0.000 2.272 412 L HA 0.678 5.016 4.340 -0.004 0.000 0.289 412 L C -0.513 176.381 176.870 0.039 0.000 1.032 412 L CA -0.098 54.730 54.840 -0.018 0.000 0.810 412 L CB 0.906 42.934 42.059 -0.051 0.000 1.205 412 L HN 0.301 nan 8.230 nan 0.000 0.422 413 L N 3.300 124.558 121.223 0.060 0.000 2.483 413 L HA 0.121 4.459 4.340 -0.004 0.000 0.276 413 L C 0.990 177.872 176.870 0.021 0.000 1.213 413 L CA 0.526 55.401 54.840 0.058 0.000 0.843 413 L CB 0.031 42.120 42.059 0.050 0.000 1.107 413 L HN 0.722 nan 8.230 nan 0.000 0.487 414 D N 1.036 121.445 120.400 0.015 0.000 2.349 414 D HA -0.039 4.598 4.640 -0.004 0.000 0.224 414 D C 1.831 178.125 176.300 -0.011 0.000 1.029 414 D CA 0.165 54.157 54.000 -0.013 0.000 0.879 414 D CB 0.220 41.008 40.800 -0.021 0.000 0.906 414 D HN 0.359 nan 8.370 nan 0.000 0.528 415 R N 1.240 121.738 120.500 -0.002 0.000 2.094 415 R HA -0.102 4.235 4.340 -0.004 0.000 0.239 415 R C 0.455 176.751 176.300 -0.006 0.000 1.137 415 R CA 1.141 57.239 56.100 -0.003 0.000 0.943 415 R CB -0.132 30.167 30.300 -0.001 0.000 0.850 415 R HN -0.001 nan 8.270 nan 0.000 0.433 416 E N 1.004 121.200 120.200 -0.006 0.000 2.373 416 E HA -0.030 4.318 4.350 -0.004 0.000 0.267 416 E C 0.700 177.293 176.600 -0.013 0.000 1.032 416 E CA 0.030 56.426 56.400 -0.007 0.000 0.889 416 E CB 0.928 30.625 29.700 -0.004 0.000 0.984 416 E HN 0.283 nan 8.360 nan 0.000 0.425 417 E N 2.173 122.367 120.200 -0.011 0.000 2.045 417 E HA -0.008 4.340 4.350 -0.004 0.000 0.190 417 E C 0.208 176.799 176.600 -0.015 0.000 0.968 417 E CA 0.887 57.279 56.400 -0.015 0.000 0.813 417 E CB 0.146 29.839 29.700 -0.011 0.000 0.780 417 E HN 0.349 nan 8.360 nan 0.000 0.455 418 R N 0.668 121.163 120.500 -0.009 0.000 2.407 418 R HA 0.501 4.839 4.340 -0.004 0.000 0.303 418 R C -0.532 175.766 176.300 -0.004 0.000 0.981 418 R CA -0.608 55.488 56.100 -0.007 0.000 0.905 418 R CB 1.178 31.477 30.300 -0.003 0.000 1.099 418 R HN -0.088 nan 8.270 nan 0.000 0.459 419 I N 1.981 122.549 120.570 -0.003 0.000 2.354 419 I HA 0.145 4.313 4.170 -0.004 0.000 0.292 419 I C 1.149 177.271 176.117 0.009 0.000 0.989 419 I CA 0.040 61.341 61.300 0.002 0.000 1.188 419 I CB 1.780 39.779 38.000 -0.001 0.000 1.342 419 I HN 0.702 nan 8.210 nan 0.000 0.457 420 T N 3.376 117.938 114.554 0.013 0.000 2.152 420 T HA -0.272 4.075 4.350 -0.004 0.000 0.194 420 T C 0.292 175.003 174.700 0.019 0.000 1.715 420 T CA 2.029 64.138 62.100 0.016 0.000 1.135 420 T CB -0.468 68.412 68.868 0.020 0.000 0.856 420 T HN 0.820 nan 8.240 nan 0.000 0.393 421 D N 0.952 121.367 120.400 0.025 0.000 2.233 421 D HA 0.436 5.074 4.640 -0.004 0.000 0.240 421 D C 0.490 176.811 176.300 0.035 0.000 1.074 421 D CA -0.698 53.319 54.000 0.029 0.000 0.838 421 D CB 0.886 41.706 40.800 0.033 0.000 1.124 421 D HN 0.070 nan 8.370 nan 0.000 0.475 422 L N 3.404 124.646 121.223 0.032 0.000 2.228 422 L HA 0.365 4.702 4.340 -0.004 0.000 0.196 422 L C -1.760 175.143 176.870 0.056 0.000 1.162 422 L CA 0.202 55.063 54.840 0.035 0.000 0.801 422 L CB -1.369 40.702 42.059 0.020 0.000 0.983 422 L HN 0.444 nan 8.230 nan 0.000 0.471 423 P HA -0.041 nan 4.420 nan 0.000 0.256 423 P C 0.157 177.518 177.300 0.101 0.000 1.173 423 P CA 1.026 64.170 63.100 0.073 0.000 0.768 423 P CB 0.063 31.797 31.700 0.057 0.000 0.758 424 L N 2.269 123.580 121.223 0.146 0.000 2.653 424 L HA 0.034 4.372 4.340 -0.004 0.000 0.231 424 L C 1.307 178.289 176.870 0.187 0.000 1.153 424 L CA 0.087 55.038 54.840 0.185 0.000 0.933 424 L CB -0.337 41.894 42.059 0.288 0.000 1.175 424 L HN 0.261 nan 8.230 nan 0.000 0.473 425 D N 0.854 121.358 120.400 0.174 0.000 2.170 425 D HA -0.241 4.396 4.640 -0.004 0.000 0.193 425 D C 1.592 178.067 176.300 0.292 0.000 1.004 425 D CA 1.488 55.627 54.000 0.231 0.000 0.860 425 D CB -0.072 40.829 40.800 0.168 0.000 0.931 425 D HN 0.372 nan 8.370 nan 0.000 0.448 426 N N -0.081 118.721 118.700 0.171 0.000 2.395 426 N HA -0.009 4.729 4.740 -0.004 0.000 0.175 426 N C 1.948 177.450 175.510 -0.013 0.000 1.029 426 N CA 0.841 53.929 53.050 0.064 0.000 0.897 426 N CB -0.070 38.445 38.487 0.046 0.000 0.991 426 N HN 0.224 nan 8.380 nan 0.000 0.441 427 G N 1.594 110.415 108.800 0.037 0.000 2.414 427 G HA2 -0.149 3.809 3.960 -0.004 0.000 0.215 427 G HA3 -0.149 3.809 3.960 -0.004 0.000 0.215 427 G C 1.702 176.589 174.900 -0.021 0.000 1.188 427 G CA 0.810 45.922 45.100 0.021 0.000 0.783 427 G HN 0.125 nan 8.290 nan 0.000 0.537 428 V N 1.187 121.108 119.914 0.011 0.000 2.282 428 V HA -0.273 3.845 4.120 -0.004 0.000 0.249 428 V C 2.746 178.730 176.094 -0.184 0.000 1.057 428 V CA 2.351 64.581 62.300 -0.116 0.000 1.032 428 V CB -0.703 31.033 31.823 -0.144 0.000 0.645 428 V HN 0.388 nan 8.190 nan 0.000 0.447 429 R N 0.881 121.281 120.500 -0.168 0.000 2.094 429 R HA -0.208 4.130 4.340 -0.004 0.000 0.239 429 R C 2.548 178.589 176.300 -0.433 0.000 1.137 429 R CA 2.388 58.259 56.100 -0.382 0.000 0.943 429 R CB -0.484 29.454 30.300 -0.603 0.000 0.850 429 R HN 0.703 nan 8.270 nan 0.000 0.433 430 S N 1.269 116.779 115.700 -0.316 0.000 2.423 430 S HA -0.144 4.324 4.470 -0.004 0.000 0.231 430 S C 1.938 176.389 174.600 -0.248 0.000 1.014 430 S CA 0.935 58.967 58.200 -0.281 0.000 0.965 430 S CB -0.433 62.646 63.200 -0.200 0.000 0.785 430 S HN 0.324 nan 8.310 nan 0.000 0.495 431 L N 2.345 123.429 121.223 -0.231 0.000 1.976 431 L HA 0.119 4.457 4.340 -0.004 0.000 0.209 431 L C 2.096 178.806 176.870 -0.266 0.000 1.071 431 L CA 1.591 56.285 54.840 -0.243 0.000 0.746 431 L CB -1.361 40.537 42.059 -0.268 0.000 0.890 431 L HN 0.328 nan 8.230 nan 0.000 0.432 432 L N -0.676 120.363 121.223 -0.307 0.000 2.187 432 L HA -0.234 4.104 4.340 -0.004 0.000 0.213 432 L C 2.496 179.242 176.870 -0.205 0.000 1.100 432 L CA 1.281 55.948 54.840 -0.289 0.000 0.765 432 L CB -0.430 41.454 42.059 -0.293 0.000 0.904 432 L HN 0.360 nan 8.230 nan 0.000 0.437 433 I N -1.041 119.372 120.570 -0.262 0.000 2.584 433 I HA -0.054 4.113 4.170 -0.004 0.000 0.255 433 I C 2.519 178.542 176.117 -0.157 0.000 1.145 433 I CA 0.956 62.120 61.300 -0.227 0.000 1.462 433 I CB -0.599 37.178 38.000 -0.373 0.000 1.102 433 I HN 0.190 nan 8.210 nan 0.000 0.433 434 G N 0.717 109.418 108.800 -0.165 0.000 2.396 434 G HA2 -0.111 3.847 3.960 -0.004 0.000 0.214 434 G HA3 -0.111 3.847 3.960 -0.004 0.000 0.214 434 G C 0.662 175.508 174.900 -0.090 0.000 1.166 434 G CA 0.130 45.155 45.100 -0.125 0.000 0.793 434 G HN 0.419 nan 8.290 nan 0.000 0.533 435 C N 2.258 121.499 119.300 -0.098 0.000 2.158 435 C HA 0.423 4.881 4.460 -0.004 0.000 0.350 435 C C 1.299 176.261 174.990 -0.047 0.000 1.064 435 C CA -1.150 57.833 59.018 -0.058 0.000 1.507 435 C CB -0.501 27.202 27.740 -0.061 0.000 1.934 435 C HN 0.585 nan 8.230 nan 0.000 0.479 436 K N 0.846 121.230 120.400 -0.027 0.000 2.387 436 K HA 0.115 4.433 4.320 -0.004 0.000 0.198 436 K C 0.929 177.533 176.600 0.007 0.000 1.022 436 K CA 0.171 56.448 56.287 -0.016 0.000 1.128 436 K CB 0.179 32.670 32.500 -0.015 0.000 0.853 436 K HN 0.527 nan 8.250 nan 0.000 0.523 437 K N 0.788 121.201 120.400 0.021 0.000 2.404 437 K HA 0.119 4.437 4.320 -0.004 0.000 0.194 437 K C -0.023 176.616 176.600 0.065 0.000 1.023 437 K CA -0.341 55.972 56.287 0.043 0.000 1.094 437 K CB 0.164 32.693 32.500 0.049 0.000 0.841 437 K HN 0.023 nan 8.250 nan 0.000 0.523 438 L N 1.950 123.209 121.223 0.060 0.000 2.584 438 L HA -0.070 4.268 4.340 -0.004 0.000 0.272 438 L C 1.070 178.012 176.870 0.119 0.000 1.195 438 L CA 0.858 55.758 54.840 0.100 0.000 0.920 438 L CB 0.222 42.318 42.059 0.061 0.000 1.173 438 L HN 0.040 nan 8.230 nan 0.000 0.489 439 R N 3.284 123.885 120.500 0.169 0.000 2.221 439 R HA 0.273 4.610 4.340 -0.004 0.000 0.195 439 R C -0.175 176.292 176.300 0.278 0.000 0.956 439 R CA 0.030 56.241 56.100 0.185 0.000 1.064 439 R CB 0.477 30.874 30.300 0.162 0.000 1.049 439 R HN 0.531 nan 8.270 nan 0.000 0.534 440 R N 0.308 121.020 120.500 0.353 0.000 2.686 440 R HA 0.399 4.737 4.340 -0.004 0.000 0.286 440 R C -1.530 175.073 176.300 0.506 0.000 0.969 440 R CA -0.676 55.750 56.100 0.543 0.000 0.898 440 R CB 2.206 32.907 30.300 0.667 0.000 1.183 440 R HN -0.120 nan 8.270 nan 0.000 0.456 441 F N 1.218 121.261 119.950 0.156 0.000 2.605 441 F HA 0.628 5.153 4.527 -0.004 0.000 0.320 441 F C -1.764 173.950 175.800 -0.143 0.000 1.159 441 F CA -0.397 57.654 58.000 0.086 0.000 0.999 441 F CB 1.876 40.928 39.000 0.087 0.000 1.258 441 F HN 0.718 nan 8.300 nan 0.000 0.464 442 A N 5.320 127.744 122.820 -0.659 0.000 2.371 442 A HA 0.827 5.145 4.320 -0.004 0.000 0.311 442 A C -2.290 174.993 177.584 -0.502 0.000 1.068 442 A CA -0.496 51.199 52.037 -0.570 0.000 0.744 442 A CB 1.055 19.888 19.000 -0.278 0.000 1.239 442 A HN 0.727 nan 8.150 nan 0.000 0.435 443 F N 2.157 121.806 119.950 -0.502 0.000 2.828 443 F HA 0.440 4.965 4.527 -0.004 0.000 0.355 443 F C -1.511 174.248 175.800 -0.068 0.000 1.200 443 F CA -0.487 57.345 58.000 -0.281 0.000 1.062 443 F CB 1.272 40.136 39.000 -0.226 0.000 1.351 443 F HN 0.584 nan 8.300 nan 0.000 0.504 444 Y N 6.819 126.927 120.300 -0.321 0.000 2.345 444 Y HA 0.706 5.254 4.550 -0.004 0.000 0.331 444 Y C -1.166 174.616 175.900 -0.196 0.000 0.959 444 Y CA -0.539 57.453 58.100 -0.180 0.000 1.204 444 Y CB 0.785 39.148 38.460 -0.162 0.000 1.135 444 Y HN 0.481 nan 8.280 nan 0.000 0.477 445 L N 3.930 125.105 121.223 -0.079 0.000 2.422 445 L HA 0.647 4.984 4.340 -0.004 0.000 0.263 445 L C -0.231 176.614 176.870 -0.043 0.000 1.110 445 L CA -1.423 53.377 54.840 -0.066 0.000 1.065 445 L CB 1.183 43.177 42.059 -0.109 0.000 1.701 445 L HN 0.418 nan 8.230 nan 0.000 0.548 446 R N -0.613 119.816 120.500 -0.118 0.000 2.810 446 R HA 0.213 4.551 4.340 -0.004 0.000 0.245 446 R C 0.713 176.905 176.300 -0.180 0.000 1.168 446 R CA -0.605 55.329 56.100 -0.277 0.000 1.096 446 R CB 1.164 31.348 30.300 -0.194 0.000 1.259 446 R HN 0.449 nan 8.270 nan 0.000 0.518 447 Q N 0.657 120.327 119.800 -0.216 0.000 2.002 447 Q HA -0.090 4.247 4.340 -0.004 0.000 0.204 447 Q C 1.620 177.606 176.000 -0.023 0.000 0.988 447 Q CA 2.408 58.170 55.803 -0.068 0.000 0.843 447 Q CB -0.876 27.826 28.738 -0.061 0.000 0.908 447 Q HN 0.921 nan 8.270 nan 0.000 0.420 448 G N -0.403 108.378 108.800 -0.032 0.000 2.653 448 G HA2 -0.096 3.862 3.960 -0.004 0.000 0.212 448 G HA3 -0.096 3.862 3.960 -0.004 0.000 0.212 448 G C 1.290 176.200 174.900 0.015 0.000 1.138 448 G CA 0.743 45.839 45.100 -0.006 0.000 0.782 448 G HN 0.496 nan 8.290 nan 0.000 0.535 449 G N -0.290 108.520 108.800 0.016 0.000 2.442 449 G HA2 0.091 4.049 3.960 -0.004 0.000 0.219 449 G HA3 0.091 4.049 3.960 -0.004 0.000 0.219 449 G C 0.310 175.271 174.900 0.102 0.000 1.141 449 G CA 0.607 45.734 45.100 0.044 0.000 0.763 449 G HN 0.429 nan 8.290 nan 0.000 0.554 450 L N 0.331 121.615 121.223 0.101 0.000 2.493 450 L HA 0.480 4.817 4.340 -0.004 0.000 0.265 450 L C 0.089 177.005 176.870 0.075 0.000 0.954 450 L CA -0.482 54.432 54.840 0.122 0.000 0.844 450 L CB 2.214 44.388 42.059 0.193 0.000 1.302 450 L HN 0.147 nan 8.230 nan 0.000 0.405 451 T N -1.135 113.448 114.554 0.048 0.000 2.918 451 T HA 0.303 4.651 4.350 -0.004 0.000 0.283 451 T C 0.620 175.319 174.700 -0.002 0.000 1.001 451 T CA -0.477 61.635 62.100 0.020 0.000 1.041 451 T CB 0.954 69.822 68.868 -0.000 0.000 1.028 451 T HN 0.575 nan 8.240 nan 0.000 0.511 452 D N 0.389 120.791 120.400 0.004 0.000 2.190 452 D HA -0.114 4.524 4.640 -0.004 0.000 0.200 452 D C 1.884 178.133 176.300 -0.085 0.000 0.992 452 D CA 0.617 54.614 54.000 -0.004 0.000 0.854 452 D CB -0.203 40.602 40.800 0.008 0.000 0.936 452 D HN 0.433 nan 8.370 nan 0.000 0.462 453 L N 0.585 121.720 121.223 -0.147 0.000 2.017 453 L HA -0.090 4.248 4.340 -0.004 0.000 0.208 453 L C 2.161 178.659 176.870 -0.620 0.000 1.073 453 L CA 2.077 56.719 54.840 -0.331 0.000 0.745 453 L CB -1.008 40.881 42.059 -0.282 0.000 0.894 453 L HN 0.101 nan 8.230 nan 0.000 0.432 454 G N 0.082 108.647 108.800 -0.391 0.000 2.421 454 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.216 454 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.216 454 G C 1.690 176.561 174.900 -0.047 0.000 1.171 454 G CA 0.777 45.739 45.100 -0.229 0.000 0.775 454 G HN 0.395 nan 8.290 nan 0.000 0.543 455 L N 1.373 122.594 121.223 -0.003 0.000 2.021 455 L HA -0.214 4.123 4.340 -0.004 0.000 0.215 455 L C 3.300 180.257 176.870 0.145 0.000 1.074 455 L CA 2.214 57.099 54.840 0.074 0.000 0.760 455 L CB -0.320 41.773 42.059 0.057 0.000 0.889 455 L HN 0.477 nan 8.230 nan 0.000 0.433 456 S N -1.691 114.041 115.700 0.053 0.000 2.423 456 S HA -0.227 4.240 4.470 -0.004 0.000 0.231 456 S C 1.880 176.577 174.600 0.163 0.000 1.014 456 S CA 0.779 59.029 58.200 0.084 0.000 0.965 456 S CB -0.828 62.368 63.200 -0.006 0.000 0.785 456 S HN 0.556 nan 8.310 nan 0.000 0.495 457 Y N 1.312 121.678 120.300 0.109 0.000 2.224 457 Y HA -0.071 4.477 4.550 -0.004 0.000 0.289 457 Y C 2.414 178.413 175.900 0.166 0.000 1.146 457 Y CA 0.976 59.184 58.100 0.179 0.000 1.182 457 Y CB -0.315 38.234 38.460 0.148 0.000 0.983 457 Y HN 0.287 nan 8.280 nan 0.000 0.524 458 I N -0.429 120.304 120.570 0.272 0.000 2.142 458 I HA -0.273 3.894 4.170 -0.004 0.000 0.240 458 I C 2.722 178.915 176.117 0.126 0.000 1.078 458 I CA 1.458 62.854 61.300 0.160 0.000 1.343 458 I CB -0.902 37.230 38.000 0.220 0.000 1.046 458 I HN 0.232 nan 8.210 nan 0.000 0.405 459 G N -0.320 108.569 108.800 0.148 0.000 2.440 459 G HA2 -0.309 3.649 3.960 -0.004 0.000 0.218 459 G HA3 -0.309 3.649 3.960 -0.004 0.000 0.218 459 G C 1.596 176.388 174.900 -0.180 0.000 1.154 459 G CA 0.626 45.611 45.100 -0.192 0.000 0.767 459 G HN 0.394 nan 8.290 nan 0.000 0.552 460 Q N -1.096 118.620 119.800 -0.140 0.000 2.172 460 Q HA -0.002 4.335 4.340 -0.004 0.000 0.200 460 Q C 0.918 176.611 176.000 -0.511 0.000 0.964 460 Q CA 0.797 56.389 55.803 -0.353 0.000 0.855 460 Q CB 0.013 28.490 28.738 -0.434 0.000 0.918 460 Q HN 0.690 nan 8.270 nan 0.000 0.444 461 Y N -0.733 119.518 120.300 -0.083 0.000 2.720 461 Y HA 0.216 4.764 4.550 -0.003 0.000 0.268 461 Y C -0.145 175.664 175.900 -0.151 0.000 1.142 461 Y CA -0.521 57.507 58.100 -0.121 0.000 1.193 461 Y CB 1.098 39.469 38.460 -0.149 0.000 1.176 461 Y HN -0.018 nan 8.280 nan 0.000 0.542 462 S N -0.634 115.033 115.700 -0.055 0.000 2.060 462 S HA 0.259 4.727 4.470 -0.004 0.000 0.156 462 S C -2.203 172.360 174.600 -0.061 0.000 1.690 462 S CA -1.224 56.926 58.200 -0.084 0.000 1.238 462 S CB 0.808 63.929 63.200 -0.132 0.000 1.150 462 S HN 0.057 nan 8.310 nan 0.000 0.437 463 P HA -0.000 nan 4.420 nan 0.000 0.221 463 P C 0.388 177.682 177.300 -0.009 0.000 1.150 463 P CA 0.909 63.987 63.100 -0.037 0.000 0.800 463 P CB 0.128 31.810 31.700 -0.029 0.000 0.787 464 N N -0.723 117.980 118.700 0.006 0.000 2.282 464 N HA 0.052 4.790 4.740 -0.004 0.000 0.185 464 N C 0.176 175.725 175.510 0.065 0.000 1.099 464 N CA 0.094 53.165 53.050 0.034 0.000 0.878 464 N CB 0.377 38.887 38.487 0.037 0.000 0.993 464 N HN -0.007 nan 8.380 nan 0.000 0.481 465 V N 2.094 122.046 119.914 0.063 0.000 2.450 465 V HA 0.044 4.162 4.120 -0.004 0.000 0.281 465 V C 1.359 177.537 176.094 0.140 0.000 1.019 465 V CA 0.318 62.688 62.300 0.117 0.000 1.062 465 V CB 0.908 32.791 31.823 0.101 0.000 0.979 465 V HN 0.053 nan 8.190 nan 0.000 0.477 466 R N 3.034 123.650 120.500 0.194 0.000 2.156 466 R HA 0.125 4.463 4.340 -0.004 0.000 0.207 466 R C 0.077 176.564 176.300 0.312 0.000 1.040 466 R CA 0.287 56.517 56.100 0.216 0.000 1.013 466 R CB 0.396 30.814 30.300 0.197 0.000 0.931 466 R HN 0.748 nan 8.270 nan 0.000 0.465 467 W N 0.684 122.073 121.300 0.148 0.000 2.739 467 W HA 0.559 5.217 4.660 -0.005 0.000 0.331 467 W C -1.543 175.102 176.519 0.211 0.000 1.049 467 W CA -0.802 56.639 57.345 0.161 0.000 1.234 467 W CB 1.091 30.620 29.460 0.115 0.000 1.404 467 W HN -0.247 nan 8.180 nan 0.000 0.477 468 M N 6.871 126.074 119.600 -0.661 0.000 2.393 468 M HA 0.387 4.865 4.480 -0.004 0.000 0.299 468 M C -1.542 174.185 176.300 -0.954 0.000 1.103 468 M CA -1.257 53.609 55.300 -0.723 0.000 0.910 468 M CB 2.046 34.607 32.600 -0.066 0.000 1.659 468 M HN 0.391 nan 8.290 nan 0.000 0.445 469 L N 5.172 125.843 121.223 -0.920 0.000 2.316 469 L HA 0.628 4.966 4.340 -0.004 0.000 0.280 469 L C -1.849 174.913 176.870 -0.181 0.000 1.006 469 L CA -0.199 54.421 54.840 -0.366 0.000 0.836 469 L CB 0.907 42.858 42.059 -0.180 0.000 1.221 469 L HN 0.642 nan 8.230 nan 0.000 0.418 470 L N 5.535 126.704 121.223 -0.090 0.000 2.313 470 L HA 0.604 4.942 4.340 -0.004 0.000 0.283 470 L C 1.081 177.856 176.870 -0.160 0.000 1.013 470 L CA -0.465 54.330 54.840 -0.076 0.000 0.816 470 L CB 1.597 43.596 42.059 -0.099 0.000 1.236 470 L HN 0.779 nan 8.230 nan 0.000 0.419 471 G N 1.478 110.138 108.800 -0.234 0.000 2.751 471 G HA2 -0.109 3.848 3.960 -0.004 0.000 0.187 471 G HA3 -0.109 3.848 3.960 -0.004 0.000 0.187 471 G C -0.019 174.496 174.900 -0.642 0.000 1.733 471 G CA 0.355 45.010 45.100 -0.743 0.000 0.898 471 G HN 0.535 nan 8.290 nan 0.000 0.408 472 Y N 0.912 120.932 120.300 -0.467 0.000 2.833 472 Y HA 0.367 4.915 4.550 -0.003 0.000 0.339 472 Y C 1.019 176.805 175.900 -0.191 0.000 1.032 472 Y CA -1.000 56.907 58.100 -0.322 0.000 1.450 472 Y CB 0.110 38.407 38.460 -0.272 0.000 1.296 472 Y HN 0.244 nan 8.280 nan 0.000 0.535 473 V N -1.171 118.714 119.914 -0.048 0.000 3.185 473 V HA 0.837 4.954 4.120 -0.004 0.000 0.305 473 V C 0.802 176.919 176.094 0.039 0.000 1.090 473 V CA -0.061 62.267 62.300 0.047 0.000 1.107 473 V CB 0.510 32.387 31.823 0.090 0.000 1.061 473 V HN 0.629 nan 8.190 nan 0.000 0.480 474 G N 2.758 111.619 108.800 0.101 0.000 2.829 474 G HA2 -0.146 3.812 3.960 -0.004 0.000 0.628 474 G HA3 -0.146 3.812 3.960 -0.004 0.000 0.628 474 G C -0.186 174.754 174.900 0.066 0.000 1.412 474 G CA 0.405 45.590 45.100 0.142 0.000 0.864 474 G HN 1.093 nan 8.290 nan 0.000 0.544 475 E N -0.741 119.514 120.200 0.091 0.000 2.444 475 E HA 0.329 4.677 4.350 -0.004 0.000 0.209 475 E C 1.031 177.674 176.600 0.071 0.000 0.806 475 E CA 0.548 56.977 56.400 0.048 0.000 1.240 475 E CB 0.963 30.685 29.700 0.037 0.000 1.238 475 E HN 1.081 nan 8.360 nan 0.000 0.591 476 S N 0.002 115.790 115.700 0.147 0.000 2.671 476 S HA 0.202 4.670 4.470 -0.004 0.000 0.277 476 S C -0.465 174.299 174.600 0.273 0.000 1.165 476 S CA -0.694 57.609 58.200 0.172 0.000 0.822 476 S CB 1.463 64.718 63.200 0.092 0.000 1.150 476 S HN -0.142 nan 8.310 nan 0.000 0.479 477 D N 0.939 121.475 120.400 0.226 0.000 2.265 477 D HA -0.053 4.584 4.640 -0.004 0.000 0.208 477 D C 1.527 177.814 176.300 -0.021 0.000 0.977 477 D CA 1.033 55.094 54.000 0.101 0.000 0.871 477 D CB -0.135 40.709 40.800 0.073 0.000 0.925 477 D HN 0.580 nan 8.370 nan 0.000 0.485 478 E N 0.467 120.681 120.200 0.023 0.000 2.114 478 E HA -0.185 4.163 4.350 -0.004 0.000 0.199 478 E C 2.278 178.865 176.600 -0.021 0.000 1.008 478 E CA 1.393 57.792 56.400 -0.002 0.000 0.810 478 E CB -0.431 29.276 29.700 0.013 0.000 0.739 478 E HN 0.472 nan 8.360 nan 0.000 0.456 479 G N 1.379 110.181 108.800 0.002 0.000 2.404 479 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.215 479 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.215 479 G C 1.614 176.458 174.900 -0.092 0.000 1.174 479 G CA 0.670 45.768 45.100 -0.003 0.000 0.780 479 G HN 0.210 nan 8.290 nan 0.000 0.537 480 L N 0.385 121.391 121.223 -0.362 0.000 2.042 480 L HA 0.020 4.358 4.340 -0.004 0.000 0.210 480 L C 2.677 179.459 176.870 -0.147 0.000 1.076 480 L CA 2.041 56.566 54.840 -0.524 0.000 0.749 480 L CB -0.334 41.000 42.059 -1.209 0.000 0.893 480 L HN 0.278 nan 8.230 nan 0.000 0.432 481 M N -1.287 118.233 119.600 -0.134 0.000 2.086 481 M HA -0.184 4.293 4.480 -0.004 0.000 0.261 481 M C 2.089 178.374 176.300 -0.026 0.000 1.067 481 M CA 1.699 56.961 55.300 -0.064 0.000 1.116 481 M CB -0.283 32.281 32.600 -0.060 0.000 1.348 481 M HN 0.272 nan 8.290 nan 0.000 0.407 482 E N 0.130 120.322 120.200 -0.013 0.000 2.085 482 E HA -0.228 4.120 4.350 -0.004 0.000 0.194 482 E C 1.721 178.333 176.600 0.021 0.000 0.994 482 E CA 1.402 57.799 56.400 -0.005 0.000 0.801 482 E CB -0.788 28.909 29.700 -0.005 0.000 0.743 482 E HN 0.610 nan 8.360 nan 0.000 0.453 483 F N 2.065 121.958 119.950 -0.094 0.000 2.095 483 F HA -0.256 4.269 4.527 -0.003 0.000 0.298 483 F C 2.514 178.267 175.800 -0.078 0.000 1.104 483 F CA 2.132 60.085 58.000 -0.079 0.000 1.232 483 F CB -0.499 38.447 39.000 -0.089 0.000 0.987 483 F HN 0.028 nan 8.300 nan 0.000 0.475 484 S N 1.170 116.827 115.700 -0.071 0.000 2.474 484 S HA -0.217 4.250 4.470 -0.004 0.000 0.235 484 S C 1.856 176.335 174.600 -0.201 0.000 0.997 484 S CA 0.817 58.914 58.200 -0.172 0.000 0.949 484 S CB -0.942 62.233 63.200 -0.041 0.000 0.766 484 S HN 0.717 nan 8.310 nan 0.000 0.517 485 R N 0.671 121.071 120.500 -0.167 0.000 2.313 485 R HA 0.360 4.698 4.340 -0.004 0.000 0.199 485 R C 1.223 177.415 176.300 -0.180 0.000 0.958 485 R CA 0.482 56.496 56.100 -0.143 0.000 1.047 485 R CB -0.397 29.844 30.300 -0.099 0.000 0.955 485 R HN 0.386 nan 8.270 nan 0.000 0.481 486 G N 0.334 108.973 108.800 -0.268 0.000 3.019 486 G HA2 0.264 4.222 3.960 -0.004 0.000 0.152 486 G HA3 0.264 4.222 3.960 -0.004 0.000 0.152 486 G C -0.542 174.174 174.900 -0.306 0.000 1.320 486 G CA -0.192 44.742 45.100 -0.276 0.000 1.013 486 G HN 0.325 nan 8.290 nan 0.000 0.593 487 C N 0.714 119.829 119.300 -0.309 0.000 3.268 487 C HA -0.090 4.367 4.460 -0.004 0.000 0.277 487 C C -0.787 174.116 174.990 -0.145 0.000 1.259 487 C CA -0.296 58.573 59.018 -0.248 0.000 2.353 487 C CB -2.061 25.448 27.740 -0.386 0.000 1.482 487 C HN 0.544 nan 8.230 nan 0.000 0.513 488 P HA -0.127 nan 4.420 nan 0.000 0.216 488 P C 0.822 178.107 177.300 -0.024 0.000 1.153 488 P CA 1.776 64.838 63.100 -0.063 0.000 0.858 488 P CB 0.040 31.708 31.700 -0.053 0.000 0.789 489 N N -1.652 117.045 118.700 -0.006 0.000 2.204 489 N HA 0.136 4.874 4.740 -0.004 0.000 0.219 489 N C -0.184 175.368 175.510 0.069 0.000 1.151 489 N CA -0.339 52.733 53.050 0.036 0.000 0.867 489 N CB 0.247 38.760 38.487 0.042 0.000 1.043 489 N HN 0.037 nan 8.380 nan 0.000 0.516 490 L N 1.816 123.072 121.223 0.056 0.000 2.534 490 L HA -0.022 4.316 4.340 -0.004 0.000 0.271 490 L C 0.811 177.774 176.870 0.155 0.000 1.178 490 L CA 0.907 55.811 54.840 0.107 0.000 0.907 490 L CB 0.817 42.920 42.059 0.073 0.000 1.164 490 L HN 0.345 nan 8.230 nan 0.000 0.482 491 Q N 3.160 123.085 119.800 0.208 0.000 2.462 491 Q HA 0.101 4.439 4.340 -0.004 0.000 0.224 491 Q C 0.053 176.248 176.000 0.325 0.000 0.911 491 Q CA 0.384 56.336 55.803 0.248 0.000 0.925 491 Q CB 0.866 29.739 28.738 0.226 0.000 1.063 491 Q HN 0.481 nan 8.270 nan 0.000 0.572 492 K N 0.950 121.564 120.400 0.356 0.000 2.345 492 K HA 0.436 4.753 4.320 -0.004 0.000 0.255 492 K C -1.887 174.961 176.600 0.412 0.000 0.934 492 K CA -0.569 55.990 56.287 0.454 0.000 0.801 492 K CB 1.402 34.169 32.500 0.444 0.000 1.137 492 K HN -0.078 nan 8.250 nan 0.000 0.424 493 L N 3.413 124.887 121.223 0.420 0.000 2.406 493 L HA 0.435 4.773 4.340 -0.004 0.000 0.272 493 L C -1.587 175.482 176.870 0.332 0.000 0.980 493 L CA 0.017 55.029 54.840 0.286 0.000 0.831 493 L CB 1.823 44.038 42.059 0.259 0.000 1.253 493 L HN 0.696 nan 8.230 nan 0.000 0.406 494 E N 6.419 126.779 120.200 0.268 0.000 2.191 494 E HA 0.615 4.963 4.350 -0.004 0.000 0.263 494 E C -1.318 175.403 176.600 0.201 0.000 0.881 494 E CA -0.425 56.219 56.400 0.407 0.000 0.757 494 E CB 1.862 31.874 29.700 0.521 0.000 1.147 494 E HN 0.595 nan 8.360 nan 0.000 0.414 495 M N 3.094 122.758 119.600 0.107 0.000 2.327 495 M HA 0.502 4.980 4.480 -0.004 0.000 0.298 495 M C -0.522 175.712 176.300 -0.110 0.000 1.065 495 M CA -0.829 54.455 55.300 -0.027 0.000 0.916 495 M CB 2.563 35.130 32.600 -0.056 0.000 1.630 495 M HN 0.359 nan 8.290 nan 0.000 0.442 496 R N 1.036 121.450 120.500 -0.143 0.000 2.795 496 R HA 0.795 5.133 4.340 -0.004 0.000 0.275 496 R C 0.073 176.076 176.300 -0.496 0.000 0.981 496 R CA -0.022 55.953 56.100 -0.207 0.000 0.917 496 R CB 2.009 32.318 30.300 0.014 0.000 1.202 496 R HN 0.934 nan 8.270 nan 0.000 0.469 497 G N 1.211 109.711 108.800 -0.501 0.000 2.298 497 G HA2 -0.242 3.716 3.960 -0.004 0.000 0.287 497 G HA3 -0.242 3.716 3.960 -0.004 0.000 0.287 497 G C -0.398 173.940 174.900 -0.937 0.000 1.075 497 G CA 0.249 44.806 45.100 -0.905 0.000 0.960 497 G HN 0.621 nan 8.290 nan 0.000 0.502 498 C N -1.035 117.935 119.300 -0.550 0.000 2.595 498 C HA 0.644 5.102 4.460 -0.004 0.000 0.338 498 C C 1.928 176.604 174.990 -0.523 0.000 1.219 498 C CA -0.094 58.550 59.018 -0.623 0.000 1.811 498 C CB 1.370 28.696 27.740 -0.690 0.000 2.313 498 C HN 1.086 nan 8.230 nan 0.000 0.499 499 C N -0.925 117.949 119.300 -0.710 0.000 2.693 499 C HA 0.444 4.902 4.460 -0.004 0.000 0.286 499 C C 0.334 175.179 174.990 -0.241 0.000 1.277 499 C CA -0.665 58.125 59.018 -0.379 0.000 1.705 499 C CB -2.559 25.023 27.740 -0.262 0.000 1.879 499 C HN 0.643 nan 8.230 nan 0.000 0.607 500 F N 2.581 122.526 119.950 -0.007 0.000 2.380 500 F HA 0.465 4.990 4.527 -0.003 0.000 0.325 500 F C 1.204 177.034 175.800 0.051 0.000 1.136 500 F CA -0.397 57.607 58.000 0.007 0.000 1.171 500 F CB 0.789 39.779 39.000 -0.018 0.000 1.230 500 F HN 0.203 nan 8.300 nan 0.000 0.554 501 S N -0.210 115.640 115.700 0.250 0.000 2.690 501 S HA 0.283 4.751 4.470 -0.004 0.000 0.291 501 S C 0.581 175.285 174.600 0.174 0.000 1.138 501 S CA -0.850 57.457 58.200 0.178 0.000 1.013 501 S CB 1.609 64.879 63.200 0.116 0.000 1.053 501 S HN 0.724 nan 8.310 nan 0.000 0.539 502 E N 1.120 121.431 120.200 0.184 0.000 2.049 502 E HA -0.225 4.123 4.350 -0.004 0.000 0.198 502 E C 2.267 178.908 176.600 0.069 0.000 1.007 502 E CA 1.415 57.899 56.400 0.140 0.000 0.809 502 E CB -0.242 29.551 29.700 0.155 0.000 0.749 502 E HN 0.694 nan 8.360 nan 0.000 0.450 503 R N 1.391 121.928 120.500 0.060 0.000 2.193 503 R HA -0.034 4.303 4.340 -0.004 0.000 0.229 503 R C 1.901 178.211 176.300 0.017 0.000 1.110 503 R CA 1.412 57.532 56.100 0.032 0.000 0.988 503 R CB -0.348 29.969 30.300 0.028 0.000 0.871 503 R HN 0.138 nan 8.270 nan 0.000 0.458 504 A N 2.126 124.963 122.820 0.028 0.000 1.897 504 A HA 0.021 4.338 4.320 -0.004 0.000 0.215 504 A C 2.400 179.961 177.584 -0.038 0.000 1.181 504 A CA 1.051 53.085 52.037 -0.005 0.000 0.620 504 A CB -0.245 18.768 19.000 0.022 0.000 0.821 504 A HN 0.234 nan 8.150 nan 0.000 0.443 505 I N 0.048 120.612 120.570 -0.009 0.000 2.113 505 I HA -0.274 3.893 4.170 -0.004 0.000 0.238 505 I C 3.028 179.131 176.117 -0.023 0.000 1.070 505 I CA 1.589 62.873 61.300 -0.026 0.000 1.332 505 I CB -1.444 36.536 38.000 -0.034 0.000 1.044 505 I HN 0.367 nan 8.210 nan 0.000 0.402 506 A N 1.067 123.880 122.820 -0.011 0.000 1.917 506 A HA -0.201 4.117 4.320 -0.004 0.000 0.219 506 A C 2.581 180.143 177.584 -0.036 0.000 1.182 506 A CA 2.339 54.370 52.037 -0.011 0.000 0.633 506 A CB -0.838 18.164 19.000 0.003 0.000 0.819 506 A HN 0.487 nan 8.150 nan 0.000 0.448 507 A N -0.252 122.548 122.820 -0.033 0.000 1.877 507 A HA 0.143 4.461 4.320 -0.004 0.000 0.216 507 A C 2.530 180.082 177.584 -0.054 0.000 1.186 507 A CA 2.233 54.244 52.037 -0.043 0.000 0.620 507 A CB -1.082 17.896 19.000 -0.036 0.000 0.822 507 A HN 1.145 nan 8.150 nan 0.000 0.443 508 A N -0.732 122.058 122.820 -0.050 0.000 1.933 508 A HA 0.035 4.352 4.320 -0.004 0.000 0.218 508 A C 2.211 179.774 177.584 -0.036 0.000 1.175 508 A CA 1.648 53.662 52.037 -0.038 0.000 0.628 508 A CB -0.860 18.124 19.000 -0.026 0.000 0.814 508 A HN 0.371 nan 8.150 nan 0.000 0.444 509 V N -0.128 119.758 119.914 -0.047 0.000 2.332 509 V HA -0.244 3.873 4.120 -0.004 0.000 0.248 509 V C 2.770 178.766 176.094 -0.163 0.000 1.055 509 V CA 2.532 64.777 62.300 -0.092 0.000 1.038 509 V CB -1.144 30.615 31.823 -0.107 0.000 0.651 509 V HN 0.633 nan 8.190 nan 0.000 0.450 510 T N -0.773 113.692 114.554 -0.147 0.000 2.746 510 T HA -0.236 4.112 4.350 -0.004 0.000 0.267 510 T C 1.965 176.603 174.700 -0.103 0.000 1.039 510 T CA 1.581 63.596 62.100 -0.142 0.000 1.142 510 T CB -0.209 68.596 68.868 -0.105 0.000 0.866 510 T HN 0.382 nan 8.240 nan 0.000 0.444 511 K N 0.266 120.616 120.400 -0.083 0.000 2.148 511 K HA 0.085 4.402 4.320 -0.004 0.000 0.204 511 K C 0.296 176.848 176.600 -0.079 0.000 1.050 511 K CA 0.461 56.702 56.287 -0.075 0.000 0.942 511 K CB -0.260 32.197 32.500 -0.073 0.000 0.724 511 K HN 0.304 nan 8.250 nan 0.000 0.446 512 L N 2.596 123.773 121.223 -0.078 0.000 2.433 512 L HA 0.055 4.392 4.340 -0.004 0.000 0.275 512 L C -1.363 175.482 176.870 -0.041 0.000 1.128 512 L CA -1.289 53.511 54.840 -0.066 0.000 0.875 512 L CB 0.621 42.657 42.059 -0.039 0.000 1.171 512 L HN 0.077 nan 8.230 nan 0.000 0.463 513 P HA -0.110 nan 4.420 nan 0.000 0.216 513 P C 1.077 178.397 177.300 0.033 0.000 1.153 513 P CA 1.051 64.145 63.100 -0.009 0.000 0.848 513 P CB 0.426 32.114 31.700 -0.020 0.000 0.787 514 S N -0.981 114.748 115.700 0.049 0.000 2.517 514 S HA 0.116 4.584 4.470 -0.004 0.000 0.214 514 S C 0.808 175.507 174.600 0.165 0.000 0.991 514 S CA -0.487 57.771 58.200 0.096 0.000 0.906 514 S CB -0.529 62.720 63.200 0.082 0.000 0.789 514 S HN 0.005 nan 8.310 nan 0.000 0.513 515 L N 3.597 124.912 121.223 0.155 0.000 2.513 515 L HA 0.112 4.449 4.340 -0.004 0.000 0.272 515 L C 0.961 178.041 176.870 0.351 0.000 1.187 515 L CA 0.640 55.614 54.840 0.223 0.000 0.895 515 L CB 0.459 42.609 42.059 0.151 0.000 1.147 515 L HN 0.200 nan 8.230 nan 0.000 0.483 516 R N 3.090 123.874 120.500 0.473 0.000 2.541 516 R HA 0.233 4.570 4.340 -0.004 0.000 0.332 516 R C -0.831 175.872 176.300 0.671 0.000 0.951 516 R CA -0.492 56.002 56.100 0.658 0.000 1.136 516 R CB 0.123 30.781 30.300 0.597 0.000 1.449 516 R HN 0.497 nan 8.270 nan 0.000 0.531 517 Y N 0.724 121.284 120.300 0.434 0.000 2.399 517 Y HA 0.514 5.061 4.550 -0.004 0.000 0.327 517 Y C -2.163 173.942 175.900 0.340 0.000 1.111 517 Y CA -1.428 56.879 58.100 0.345 0.000 1.047 517 Y CB 2.127 40.763 38.460 0.293 0.000 1.259 517 Y HN 0.058 nan 8.280 nan 0.000 0.434 518 L N 7.604 128.898 121.223 0.118 0.000 2.439 518 L HA 0.565 4.903 4.340 -0.004 0.000 0.270 518 L C -2.089 174.817 176.870 0.060 0.000 0.972 518 L CA -0.488 54.464 54.840 0.186 0.000 0.836 518 L CB 1.282 43.472 42.059 0.218 0.000 1.255 518 L HN 0.708 nan 8.230 nan 0.000 0.404 519 W N 7.549 128.854 121.300 0.010 0.000 2.702 519 W HA 0.799 5.456 4.660 -0.004 0.000 0.331 519 W C -2.288 174.220 176.519 -0.020 0.000 1.049 519 W CA -0.831 56.495 57.345 -0.032 0.000 1.230 519 W CB 1.789 31.268 29.460 0.031 0.000 1.408 519 W HN 0.362 nan 8.180 nan 0.000 0.492 520 V N 5.304 124.575 119.914 -1.071 0.000 2.733 520 V HA 0.291 4.409 4.120 -0.004 0.000 0.306 520 V C -0.766 174.658 176.094 -1.116 0.000 1.084 520 V CA -0.671 61.076 62.300 -0.922 0.000 0.905 520 V CB 1.923 33.443 31.823 -0.505 0.000 1.010 520 V HN 0.610 nan 8.190 nan 0.000 0.424 521 Q N 2.328 121.660 119.800 -0.779 0.000 2.330 521 Q HA 0.630 4.968 4.340 -0.004 0.000 0.269 521 Q C -0.068 175.887 176.000 -0.075 0.000 1.022 521 Q CA 0.113 55.707 55.803 -0.348 0.000 0.796 521 Q CB 1.982 30.549 28.738 -0.284 0.000 1.271 521 Q HN 1.389 nan 8.270 nan 0.000 0.450 522 G N 3.396 112.268 108.800 0.119 0.000 3.405 522 G HA2 -0.156 3.801 3.960 -0.004 0.000 0.676 522 G HA3 -0.156 3.801 3.960 -0.004 0.000 0.676 522 G C -1.444 173.539 174.900 0.139 0.000 1.039 522 G CA -0.044 45.087 45.100 0.051 0.000 0.855 522 G HN 0.842 nan 8.290 nan 0.000 0.443 523 Y N -1.290 118.950 120.300 -0.099 0.000 2.620 523 Y HA 0.712 5.260 4.550 -0.003 0.000 0.331 523 Y C -0.197 175.678 175.900 -0.042 0.000 1.173 523 Y CA -2.056 55.998 58.100 -0.077 0.000 1.076 523 Y CB 0.732 39.161 38.460 -0.051 0.000 1.336 523 Y HN 0.582 nan 8.280 nan 0.000 0.459 524 R N 2.284 122.783 120.500 -0.001 0.000 2.402 524 R HA 0.527 4.864 4.340 -0.004 0.000 0.331 524 R C 0.426 176.695 176.300 -0.053 0.000 1.040 524 R CA 0.512 56.577 56.100 -0.059 0.000 0.980 524 R CB 0.356 30.663 30.300 0.011 0.000 0.967 524 R HN 0.852 nan 8.270 nan 0.000 0.440 525 A N 2.790 125.482 122.820 -0.214 0.000 2.645 525 A HA 0.518 4.836 4.320 -0.004 0.000 0.245 525 A C -0.023 177.551 177.584 -0.016 0.000 1.758 525 A CA 0.022 51.978 52.037 -0.134 0.000 0.850 525 A CB 0.477 19.321 19.000 -0.259 0.000 1.656 525 A HN 0.721 nan 8.150 nan 0.000 0.641 526 S N -3.611 112.088 115.700 -0.002 0.000 2.596 526 S HA 0.268 4.735 4.470 -0.004 0.000 0.305 526 S C 0.030 174.636 174.600 0.010 0.000 1.086 526 S CA 0.154 58.358 58.200 0.006 0.000 0.909 526 S CB 0.262 63.476 63.200 0.024 0.000 1.106 526 S HN 0.795 nan 8.310 nan 0.000 0.450 527 M N 3.111 122.711 119.600 0.000 0.000 2.106 527 M HA -0.076 4.402 4.480 -0.004 0.000 0.259 527 M C 2.040 178.348 176.300 0.012 0.000 1.068 527 M CA 2.843 58.145 55.300 0.003 0.000 1.100 527 M CB -1.539 31.060 32.600 -0.001 0.000 1.351 527 M HN 0.973 nan 8.290 nan 0.000 0.404 528 T N -0.599 113.964 114.554 0.014 0.000 2.564 528 T HA -0.181 4.167 4.350 -0.004 0.000 0.264 528 T C 1.751 176.466 174.700 0.025 0.000 1.100 528 T CA 2.319 64.429 62.100 0.018 0.000 1.171 528 T CB -1.388 67.492 68.868 0.020 0.000 0.863 528 T HN 0.735 nan 8.240 nan 0.000 0.430 529 G N -0.051 108.770 108.800 0.036 0.000 2.241 529 G HA2 -0.278 3.679 3.960 -0.004 0.000 0.244 529 G HA3 -0.278 3.679 3.960 -0.004 0.000 0.244 529 G C 0.851 175.780 174.900 0.048 0.000 0.998 529 G CA 0.465 45.595 45.100 0.050 0.000 0.621 529 G HN 0.470 nan 8.290 nan 0.000 0.519 530 Q N 0.495 120.317 119.800 0.037 0.000 2.482 530 Q HA 0.090 4.428 4.340 -0.004 0.000 0.209 530 Q C 1.640 177.660 176.000 0.033 0.000 0.961 530 Q CA 1.465 57.287 55.803 0.031 0.000 0.945 530 Q CB -0.057 28.695 28.738 0.023 0.000 1.012 530 Q HN 0.733 nan 8.270 nan 0.000 0.515 531 D N -0.018 120.407 120.400 0.042 0.000 2.162 531 D HA -0.042 4.596 4.640 -0.004 0.000 0.203 531 D C 1.798 178.122 176.300 0.040 0.000 0.967 531 D CA 0.305 54.330 54.000 0.041 0.000 0.840 531 D CB 0.043 40.873 40.800 0.050 0.000 0.972 531 D HN 0.105 nan 8.370 nan 0.000 0.482 532 L N 0.278 121.530 121.223 0.048 0.000 2.043 532 L HA -0.214 4.124 4.340 -0.004 0.000 0.212 532 L C 2.059 178.956 176.870 0.044 0.000 1.075 532 L CA 0.754 55.618 54.840 0.040 0.000 0.752 532 L CB -0.297 41.784 42.059 0.037 0.000 0.891 532 L HN 0.168 nan 8.230 nan 0.000 0.432 533 M N -0.309 119.315 119.600 0.041 0.000 2.255 533 M HA -0.269 4.209 4.480 -0.004 0.000 0.259 533 M C 2.064 178.385 176.300 0.035 0.000 1.071 533 M CA 1.558 56.882 55.300 0.040 0.000 1.074 533 M CB -1.083 31.535 32.600 0.030 0.000 1.384 533 M HN 0.482 nan 8.290 nan 0.000 0.415 534 Q N 0.164 119.979 119.800 0.024 0.000 2.431 534 Q HA -0.057 4.280 4.340 -0.004 0.000 0.210 534 Q C 1.168 177.165 176.000 -0.005 0.000 0.958 534 Q CA 0.507 56.316 55.803 0.009 0.000 0.957 534 Q CB -0.466 28.274 28.738 0.004 0.000 1.007 534 Q HN 0.741 nan 8.270 nan 0.000 0.511 535 M N -2.593 117.014 119.600 0.010 0.000 2.346 535 M HA 0.513 4.991 4.480 -0.004 0.000 0.280 535 M C 0.289 176.585 176.300 -0.006 0.000 1.075 535 M CA -0.394 54.885 55.300 -0.035 0.000 0.989 535 M CB 0.693 33.274 32.600 -0.032 0.000 1.447 535 M HN 0.044 nan 8.290 nan 0.000 0.511 536 A N 2.521 125.379 122.820 0.064 0.000 2.524 536 A HA 0.303 4.620 4.320 -0.004 0.000 0.271 536 A C -0.144 177.480 177.584 0.065 0.000 1.097 536 A CA 0.252 52.350 52.037 0.102 0.000 0.791 536 A CB -0.300 18.740 19.000 0.067 0.000 1.028 536 A HN 0.712 nan 8.150 nan 0.000 0.518 537 R N 2.477 123.044 120.500 0.112 0.000 2.902 537 R HA 0.623 4.960 4.340 -0.004 0.000 0.258 537 R C -2.843 173.577 176.300 0.200 0.000 1.071 537 R CA -1.901 54.272 56.100 0.122 0.000 1.024 537 R CB 0.508 30.878 30.300 0.116 0.000 1.184 537 R HN 0.386 nan 8.270 nan 0.000 0.492 538 P HA 0.150 nan 4.420 nan 0.000 0.275 538 P C -0.957 176.524 177.300 0.300 0.000 1.228 538 P CA -0.109 63.043 63.100 0.087 0.000 0.786 538 P CB 0.218 31.929 31.700 0.019 0.000 0.927 539 Y N -2.542 117.908 120.300 0.250 0.000 4.897 539 Y HA -0.222 4.324 4.550 -0.007 0.000 0.263 539 Y C 0.210 176.392 175.900 0.472 0.000 0.945 539 Y CA 0.593 58.892 58.100 0.332 0.000 1.858 539 Y CB -1.803 36.854 38.460 0.328 0.000 1.296 539 Y HN 0.499 nan 8.280 nan 0.000 0.490 540 W N 3.890 125.327 121.300 0.228 0.000 2.342 540 W HA 0.375 5.034 4.660 -0.003 0.000 0.310 540 W C -0.489 175.943 176.519 -0.145 0.000 1.128 540 W CA -0.533 56.778 57.345 -0.057 0.000 1.322 540 W CB 0.507 29.885 29.460 -0.136 0.000 1.251 540 W HN -0.065 nan 8.180 nan 0.000 0.439 541 N N 5.641 123.957 118.700 -0.641 0.000 2.434 541 N HA 0.275 5.013 4.740 -0.004 0.000 0.272 541 N C -0.552 174.416 175.510 -0.904 0.000 1.040 541 N CA -0.286 52.340 53.050 -0.707 0.000 0.956 541 N CB 1.501 39.436 38.487 -0.919 0.000 1.108 541 N HN 0.416 nan 8.380 nan 0.000 0.481 542 I N -1.524 118.744 120.570 -0.504 0.000 2.474 542 I HA 0.597 4.765 4.170 -0.004 0.000 0.294 542 I C -0.518 175.492 176.117 -0.178 0.000 1.005 542 I CA -0.384 60.697 61.300 -0.365 0.000 1.113 542 I CB 1.766 39.645 38.000 -0.201 0.000 1.289 542 I HN 0.341 nan 8.210 nan 0.000 0.436 543 E N 5.781 125.931 120.200 -0.083 0.000 2.317 543 E HA 0.670 5.018 4.350 -0.004 0.000 0.270 543 E C -1.534 175.107 176.600 0.069 0.000 0.885 543 E CA -0.858 55.562 56.400 0.033 0.000 0.760 543 E CB 2.565 32.357 29.700 0.153 0.000 1.227 543 E HN 0.606 nan 8.360 nan 0.000 0.434 544 L N 3.521 124.795 121.223 0.085 0.000 2.346 544 L HA 0.629 4.966 4.340 -0.004 0.000 0.276 544 L C -0.542 176.401 176.870 0.121 0.000 1.006 544 L CA -0.621 54.277 54.840 0.097 0.000 0.817 544 L CB 1.128 43.232 42.059 0.074 0.000 1.272 544 L HN 0.389 nan 8.230 nan 0.000 0.421 545 I N 2.268 122.907 120.570 0.115 0.000 3.042 545 I HA 0.478 4.646 4.170 -0.004 0.000 0.310 545 I C -2.181 173.867 176.117 -0.115 0.000 1.117 545 I CA -1.705 59.636 61.300 0.069 0.000 1.003 545 I CB 2.592 40.703 38.000 0.186 0.000 1.228 545 I HN 0.377 nan 8.210 nan 0.000 0.443 546 P HA 0.248 nan 4.420 nan 0.000 0.250 546 P C -0.814 176.360 177.300 -0.210 0.000 1.202 546 P CA -0.197 62.829 63.100 -0.123 0.000 0.722 546 P CB 0.489 32.188 31.700 -0.001 0.000 1.432 547 S N -2.164 113.523 115.700 -0.023 0.000 2.714 547 S HA 0.471 4.939 4.470 -0.004 0.000 0.297 547 S C -1.470 173.183 174.600 0.088 0.000 0.993 547 S CA -0.720 57.497 58.200 0.027 0.000 0.844 547 S CB 0.172 63.377 63.200 0.009 0.000 1.043 547 S HN 0.078 nan 8.310 nan 0.000 0.457 548 R N 1.285 121.817 120.500 0.053 0.000 3.142 548 R HA 0.630 4.968 4.340 -0.004 0.000 0.260 548 R C -0.603 175.716 176.300 0.032 0.000 1.129 548 R CA -0.731 55.408 56.100 0.065 0.000 0.976 548 R CB 0.533 30.873 30.300 0.068 0.000 1.396 548 R HN 0.917 nan 8.270 nan 0.000 0.434 564 H N 3.178 122.279 119.070 0.051 0.000 2.887 564 H HA 0.322 4.876 4.556 -0.004 0.000 0.300 564 H C -2.178 173.183 175.328 0.055 0.000 1.038 564 H CA -1.927 54.171 56.048 0.084 0.000 1.352 564 H CB 1.320 31.146 29.762 0.106 0.000 1.473 564 H HN 0.393 nan 8.280 nan 0.000 0.503 565 P HA -0.022 nan 4.420 nan 0.000 0.270 565 P C 0.015 177.378 177.300 0.105 0.000 1.221 565 P CA -0.357 62.797 63.100 0.091 0.000 0.788 565 P CB 0.699 32.440 31.700 0.069 0.000 0.904 566 A N 1.405 124.263 122.820 0.063 0.000 2.498 566 A HA 0.094 4.412 4.320 -0.004 0.000 0.239 566 A C 0.164 177.902 177.584 0.256 0.000 1.068 566 A CA 0.123 52.222 52.037 0.104 0.000 0.766 566 A CB -0.722 18.356 19.000 0.130 0.000 1.003 566 A HN 0.641 nan 8.150 nan 0.000 0.497 567 H N 0.272 119.368 119.070 0.043 0.000 2.479 567 H HA 0.566 5.120 4.556 -0.004 0.000 0.335 567 H C -0.721 174.525 175.328 -0.137 0.000 1.142 567 H CA -0.762 55.179 56.048 -0.179 0.000 1.234 567 H CB 1.518 31.205 29.762 -0.125 0.000 1.503 567 H HN 0.542 nan 8.280 nan 0.000 0.510 568 I N 3.010 123.459 120.570 -0.202 0.000 2.404 568 I HA 0.175 4.342 4.170 -0.004 0.000 0.293 568 I C -1.121 174.932 176.117 -0.107 0.000 0.992 568 I CA -0.722 60.473 61.300 -0.174 0.000 1.149 568 I CB 1.814 39.606 38.000 -0.346 0.000 1.315 568 I HN 0.218 nan 8.210 nan 0.000 0.446 569 L N 6.934 128.163 121.223 0.009 0.000 2.439 569 L HA 0.877 5.214 4.340 -0.004 0.000 0.270 569 L C -0.986 175.833 176.870 -0.084 0.000 0.972 569 L CA -0.058 54.807 54.840 0.041 0.000 0.836 569 L CB 1.535 43.727 42.059 0.222 0.000 1.255 569 L HN 0.685 nan 8.230 nan 0.000 0.404 570 A N 4.264 126.935 122.820 -0.247 0.000 2.475 570 A HA 0.913 5.230 4.320 -0.004 0.000 0.301 570 A C -1.860 175.266 177.584 -0.764 0.000 1.059 570 A CA -0.384 51.260 52.037 -0.655 0.000 0.710 570 A CB 1.334 19.852 19.000 -0.804 0.000 1.288 570 A HN 0.950 nan 8.150 nan 0.000 0.408 571 Y N -1.806 117.840 120.300 -1.089 0.000 2.624 571 Y HA 0.671 5.219 4.550 -0.003 0.000 0.334 571 Y C -1.267 174.374 175.900 -0.431 0.000 1.155 571 Y CA -1.483 56.267 58.100 -0.584 0.000 1.046 571 Y CB 0.625 39.028 38.460 -0.096 0.000 1.316 571 Y HN 0.599 nan 8.280 nan 0.000 0.457 572 Y N 1.423 121.898 120.300 0.292 0.000 2.336 572 Y HA 0.488 5.036 4.550 -0.003 0.000 0.331 572 Y C 0.598 176.729 175.900 0.384 0.000 1.211 572 Y CA 0.417 58.751 58.100 0.390 0.000 1.346 572 Y CB 1.572 40.307 38.460 0.459 0.000 1.271 572 Y HN 0.721 nan 8.280 nan 0.000 0.538 573 S N 3.341 119.368 115.700 0.544 0.000 2.562 573 S HA 0.295 4.762 4.470 -0.004 0.000 0.274 573 S C -0.338 174.526 174.600 0.439 0.000 1.160 573 S CA -0.778 57.700 58.200 0.463 0.000 0.933 573 S CB 0.562 64.041 63.200 0.464 0.000 1.100 573 S HN 0.747 nan 8.310 nan 0.000 0.468 574 L N 3.416 124.843 121.223 0.341 0.000 2.650 574 L HA 0.236 4.574 4.340 -0.004 0.000 0.235 574 L C 1.905 178.958 176.870 0.305 0.000 1.149 574 L CA 0.759 55.791 54.840 0.320 0.000 0.887 574 L CB -0.458 41.703 42.059 0.170 0.000 1.021 574 L HN 0.776 nan 8.230 nan 0.000 0.441 575 A N -0.716 122.275 122.820 0.285 0.000 2.192 575 A HA 0.565 4.883 4.320 -0.004 0.000 0.208 575 A C 1.149 178.835 177.584 0.169 0.000 1.220 575 A CA 0.537 52.703 52.037 0.215 0.000 0.900 575 A CB 0.330 19.473 19.000 0.238 0.000 0.937 575 A HN 0.395 nan 8.150 nan 0.000 0.487 576 G N -0.728 108.174 108.800 0.170 0.000 2.631 576 G HA2 -0.072 3.886 3.960 -0.004 0.000 0.504 576 G HA3 -0.072 3.886 3.960 -0.004 0.000 0.504 576 G C -0.690 174.257 174.900 0.079 0.000 1.306 576 G CA -0.454 44.700 45.100 0.091 0.000 0.897 576 G HN 0.518 nan 8.290 nan 0.000 0.520 577 Q N 0.387 120.201 119.800 0.022 0.000 2.332 577 Q HA 0.425 4.763 4.340 -0.004 0.000 0.263 577 Q C 0.942 176.945 176.000 0.005 0.000 0.979 577 Q CA -0.043 55.756 55.803 -0.006 0.000 0.885 577 Q CB 0.503 29.217 28.738 -0.040 0.000 1.218 577 Q HN 0.567 nan 8.270 nan 0.000 0.405 578 R N 1.387 121.871 120.500 -0.026 0.000 2.623 578 R HA 0.026 4.364 4.340 -0.004 0.000 0.271 578 R C 0.766 177.030 176.300 -0.061 0.000 1.043 578 R CA 0.083 56.149 56.100 -0.056 0.000 1.083 578 R CB -0.012 30.098 30.300 -0.316 0.000 0.974 578 R HN 0.567 nan 8.270 nan 0.000 0.436 579 T N 0.762 115.304 114.554 -0.020 0.000 2.904 579 T HA -0.110 4.238 4.350 -0.004 0.000 0.267 579 T C 0.699 175.369 174.700 -0.050 0.000 1.059 579 T CA 1.531 63.613 62.100 -0.029 0.000 1.137 579 T CB -0.190 68.669 68.868 -0.014 0.000 0.879 579 T HN 0.777 nan 8.240 nan 0.000 0.467 580 D N 0.407 120.778 120.400 -0.048 0.000 2.434 580 D HA 0.091 4.729 4.640 -0.004 0.000 0.232 580 D C -0.162 176.100 176.300 -0.064 0.000 1.166 580 D CA -0.463 53.513 54.000 -0.041 0.000 0.830 580 D CB -1.466 39.359 40.800 0.041 0.000 0.960 580 D HN 0.190 nan 8.370 nan 0.000 0.497 581 C N 1.730 120.960 119.300 -0.117 0.000 2.642 581 C HA 0.221 4.679 4.460 -0.004 0.000 0.420 581 C C -1.407 173.553 174.990 -0.049 0.000 1.349 581 C CA -0.860 58.079 59.018 -0.131 0.000 1.821 581 C CB -0.086 27.583 27.740 -0.118 0.000 2.637 581 C HN 0.397 nan 8.230 nan 0.000 0.605 582 P HA 0.165 nan 4.420 nan 0.000 0.282 582 P C 0.846 178.157 177.300 0.019 0.000 1.286 582 P CA -0.014 63.102 63.100 0.026 0.000 0.777 582 P CB 0.285 32.022 31.700 0.062 0.000 1.184 583 T N -1.039 113.533 114.554 0.030 0.000 2.896 583 T HA -0.078 4.270 4.350 -0.004 0.000 0.263 583 T C 1.464 176.185 174.700 0.035 0.000 1.050 583 T CA 1.872 63.988 62.100 0.025 0.000 1.140 583 T CB -1.001 67.882 68.868 0.024 0.000 0.877 583 T HN 0.614 nan 8.240 nan 0.000 0.457 584 T N 0.150 114.734 114.554 0.051 0.000 3.098 584 T HA 0.073 4.421 4.350 -0.004 0.000 0.266 584 T C 0.629 175.373 174.700 0.073 0.000 1.145 584 T CA 0.182 62.318 62.100 0.061 0.000 1.092 584 T CB -0.293 68.621 68.868 0.077 0.000 0.908 584 T HN 0.095 nan 8.240 nan 0.000 0.526 585 V N 1.408 121.364 119.914 0.070 0.000 2.448 585 V HA 0.478 4.596 4.120 -0.004 0.000 0.295 585 V C 0.003 176.124 176.094 0.044 0.000 1.025 585 V CA -1.132 61.218 62.300 0.084 0.000 0.859 585 V CB 1.697 33.585 31.823 0.108 0.000 0.988 585 V HN 0.234 nan 8.190 nan 0.000 0.431 586 R N 2.864 123.394 120.500 0.049 0.000 2.460 586 R HA 0.702 5.040 4.340 -0.004 0.000 0.303 586 R C -1.277 175.033 176.300 0.016 0.000 0.968 586 R CA -0.533 55.583 56.100 0.026 0.000 0.889 586 R CB 1.991 32.308 30.300 0.028 0.000 1.123 586 R HN 0.569 nan 8.270 nan 0.000 0.455 587 V N 5.923 125.834 119.914 -0.005 0.000 2.333 587 V HA 0.256 4.373 4.120 -0.004 0.000 0.274 587 V C 0.402 176.483 176.094 -0.022 0.000 1.028 587 V CA -0.700 61.585 62.300 -0.024 0.000 0.851 587 V CB 1.178 32.976 31.823 -0.041 0.000 1.000 587 V HN 0.652 nan 8.190 nan 0.000 0.456 588 L N 5.482 126.691 121.223 -0.024 0.000 2.410 588 L HA 0.353 4.691 4.340 -0.004 0.000 0.273 588 L C 0.588 177.448 176.870 -0.017 0.000 1.152 588 L CA 0.237 55.069 54.840 -0.013 0.000 0.855 588 L CB 0.565 42.621 42.059 -0.005 0.000 1.129 588 L HN 0.628 nan 8.230 nan 0.000 0.463 589 K N 4.429 124.825 120.400 -0.007 0.000 2.895 589 K HA 0.181 4.499 4.320 -0.004 0.000 0.191 589 K C -0.696 175.904 176.600 0.001 0.000 1.117 589 K CA -0.457 55.826 56.287 -0.007 0.000 0.988 589 K CB 0.879 33.372 32.500 -0.012 0.000 1.181 589 K HN 0.565 nan 8.250 nan 0.000 0.598 590 E N -0.349 119.856 120.200 0.007 0.000 3.931 590 E HA -0.210 4.138 4.350 -0.004 0.000 0.221 590 E C -2.533 174.072 176.600 0.008 0.000 1.488 590 E CA 0.569 56.975 56.400 0.010 0.000 2.372 590 E CB -1.530 28.174 29.700 0.007 0.000 2.116 590 E HN 0.323 nan 8.360 nan 0.000 0.464 591 P HA 0.070 nan 4.420 nan 0.000 0.263 591 P C 0.093 177.396 177.300 0.004 0.000 1.195 591 P CA 0.250 63.353 63.100 0.006 0.000 0.762 591 P CB 0.144 31.847 31.700 0.005 0.000 0.799 592 I N 0.000 120.573 120.570 0.005 0.000 2.984 592 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 592 I CA 0.000 61.302 61.300 0.004 0.000 1.566 592 I CB 0.000 38.003 38.000 0.005 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494