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 2plk_1_B DATA FIRST_RESID 17 DATA SEQUENCE VLSAEEIHLI EASVEQFGAP LLLLDCDVIR QQYRALKNAL PNVTLHYALK DATA SEQUENCE PLPHPVVVRT LLAEGASFDL ATTGEVELVA SEGVPADLTI HTHPIKRDAD DATA SEQUENCE IRDALAYGCN VFVVDNLNEL EKFKAYRDDV ELLVRLSFXX XXXXXXXSKK DATA SEQUENCE FGCSPEQALV IIETAKEWNI RIKGLSFHVG SQTTNPNKYV EAIHTCRHVM DATA SEQUENCE EQVVERGLPA LSTLDIGGGF PVNYTQQVMP IDQFCAPINE ALSLLPETVH DATA SEQUENCE VLAEPGRFIC APAVTSVASV MGQAEREGQI WYYLDDGIYG SFSGLMFDDA DATA SEQUENCE RYPLTTIKQG GELIPSVLSG PTCDSVDVIA ENILLPKLNN GDLVIGRTMG DATA SEQUENCE AYTSATATDF NFFKRAQTIA LNE 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.098 176.094 0.007 0.000 1.182 17 V CA 0.000 62.304 62.300 0.007 0.000 1.235 17 V CB 0.000 31.827 31.823 0.006 0.000 1.184 18 L N 3.726 124.953 121.223 0.007 0.000 2.346 18 L HA 0.708 5.048 4.340 -0.000 0.000 0.274 18 L C 0.466 177.342 176.870 0.009 0.000 1.007 18 L CA -0.475 54.370 54.840 0.008 0.000 0.818 18 L CB 2.315 44.380 42.059 0.009 0.000 1.284 18 L HN 0.846 nan 8.230 nan 0.000 0.424 19 S N 1.361 117.067 115.700 0.010 0.000 2.589 19 S HA 0.267 4.737 4.470 -0.000 0.000 0.265 19 S C 1.230 175.842 174.600 0.020 0.000 1.342 19 S CA -0.021 58.186 58.200 0.012 0.000 1.005 19 S CB 1.441 64.646 63.200 0.010 0.000 0.909 19 S HN 0.734 nan 8.310 nan 0.000 0.555 20 A N 1.087 123.918 122.820 0.019 0.000 1.940 20 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 20 A C 2.138 179.752 177.584 0.051 0.000 1.176 20 A CA 1.705 53.758 52.037 0.027 0.000 0.631 20 A CB -0.946 18.061 19.000 0.012 0.000 0.814 20 A HN 0.954 nan 8.150 nan 0.000 0.446 21 E N -0.537 119.690 120.200 0.043 0.000 2.107 21 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 21 E C 1.995 178.646 176.600 0.084 0.000 0.982 21 E CA 1.068 57.509 56.400 0.069 0.000 0.809 21 E CB -0.154 29.569 29.700 0.038 0.000 0.756 21 E HN 0.748 nan 8.360 nan 0.000 0.459 22 E N 0.912 121.140 120.200 0.047 0.000 2.051 22 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 22 E C 2.185 178.805 176.600 0.032 0.000 0.991 22 E CA 0.823 57.241 56.400 0.030 0.000 0.799 22 E CB -0.135 29.573 29.700 0.013 0.000 0.748 22 E HN 0.226 nan 8.360 nan 0.000 0.449 23 I N 0.801 121.396 120.570 0.041 0.000 2.151 23 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 23 I C 2.618 178.769 176.117 0.057 0.000 1.080 23 I CA 1.673 62.998 61.300 0.041 0.000 1.339 23 I CB -0.372 37.653 38.000 0.042 0.000 1.039 23 I HN 0.198 nan 8.210 nan 0.000 0.409 24 H N 0.958 120.030 119.070 0.003 0.000 2.293 24 H HA -0.158 4.398 4.556 -0.000 0.000 0.300 24 H C 2.177 177.510 175.328 0.009 0.000 1.082 24 H CA 1.699 57.749 56.048 0.005 0.000 1.308 24 H CB -0.171 29.592 29.762 0.002 0.000 1.375 24 H HN 0.101 nan 8.280 nan 0.000 0.495 25 L N 0.278 121.424 121.223 -0.128 0.000 1.971 25 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 25 L C 2.602 179.407 176.870 -0.108 0.000 1.072 25 L CA 2.159 56.917 54.840 -0.135 0.000 0.758 25 L CB -0.886 41.161 42.059 -0.021 0.000 0.889 25 L HN 0.446 nan 8.230 nan 0.000 0.433 26 I N -0.272 120.266 120.570 -0.054 0.000 2.151 26 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 26 I C 2.477 178.570 176.117 -0.040 0.000 1.080 26 I CA 1.524 62.805 61.300 -0.031 0.000 1.339 26 I CB -0.272 37.721 38.000 -0.012 0.000 1.039 26 I HN 0.350 nan 8.210 nan 0.000 0.409 27 E N 0.569 120.730 120.200 -0.065 0.000 2.106 27 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 27 E C 2.353 178.898 176.600 -0.093 0.000 0.984 27 E CA 1.129 57.494 56.400 -0.059 0.000 0.806 27 E CB -0.150 29.529 29.700 -0.035 0.000 0.750 27 E HN 0.527 nan 8.360 nan 0.000 0.458 28 A N 1.090 123.792 122.820 -0.197 0.000 1.877 28 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 28 A C 2.356 179.889 177.584 -0.085 0.000 1.186 28 A CA 1.747 53.669 52.037 -0.192 0.000 0.620 28 A CB -0.554 18.242 19.000 -0.339 0.000 0.822 28 A HN 0.142 nan 8.150 nan 0.000 0.443 29 S N -0.358 115.326 115.700 -0.027 0.000 2.383 29 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 29 S C 1.848 176.535 174.600 0.145 0.000 1.030 29 S CA 1.501 59.773 58.200 0.119 0.000 1.002 29 S CB -0.538 62.728 63.200 0.110 0.000 0.829 29 S HN 0.335 nan 8.310 nan 0.000 0.467 30 V N 1.715 121.664 119.914 0.059 0.000 2.307 30 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 30 V C 2.368 178.471 176.094 0.015 0.000 1.045 30 V CA 1.581 63.915 62.300 0.056 0.000 1.024 30 V CB -0.682 31.161 31.823 0.033 0.000 0.651 30 V HN 0.464 nan 8.190 nan 0.000 0.449 31 E N -0.247 119.936 120.200 -0.028 0.000 2.048 31 E HA -0.370 3.980 4.350 -0.000 0.000 0.202 31 E C 2.294 178.823 176.600 -0.118 0.000 1.021 31 E CA 2.184 58.548 56.400 -0.060 0.000 0.825 31 E CB -0.184 29.474 29.700 -0.069 0.000 0.756 31 E HN 0.629 nan 8.360 nan 0.000 0.454 32 Q N -0.891 118.776 119.800 -0.222 0.000 2.123 32 Q HA -0.127 4.213 4.340 -0.000 0.000 0.199 32 Q C 1.255 176.878 176.000 -0.628 0.000 0.966 32 Q CA 1.279 56.777 55.803 -0.509 0.000 0.845 32 Q CB 0.183 28.446 28.738 -0.792 0.000 0.907 32 Q HN 0.221 nan 8.270 nan 0.000 0.439 33 F N -1.388 118.559 119.950 -0.005 0.000 2.752 33 F HA 0.382 4.909 4.527 -0.000 0.000 0.310 33 F C 1.112 176.919 175.800 0.011 0.000 1.097 33 F CA 0.494 58.495 58.000 0.003 0.000 1.238 33 F CB 0.904 39.904 39.000 0.000 0.000 1.061 33 F HN 0.204 nan 8.300 nan 0.000 0.591 34 G N 0.924 109.811 108.800 0.144 0.000 2.545 34 G HA2 0.282 4.242 3.960 -0.000 0.000 0.216 34 G HA3 0.282 4.242 3.960 -0.000 0.000 0.216 34 G C -0.921 174.045 174.900 0.109 0.000 1.314 34 G CA -0.502 44.660 45.100 0.103 0.000 0.906 34 G HN 0.811 nan 8.290 nan 0.000 0.563 35 A N 0.155 123.032 122.820 0.096 0.000 2.549 35 A HA 0.924 5.244 4.320 -0.000 0.000 0.297 35 A C -2.702 174.942 177.584 0.099 0.000 1.061 35 A CA -0.307 51.783 52.037 0.089 0.000 0.690 35 A CB 2.082 21.127 19.000 0.075 0.000 1.287 35 A HN 1.075 nan 8.150 nan 0.000 0.402 36 P HA 0.636 nan 4.420 nan 0.000 0.281 36 P C -0.989 176.348 177.300 0.062 0.000 1.249 36 P CA -0.229 62.921 63.100 0.084 0.000 0.810 36 P CB 1.038 32.796 31.700 0.097 0.000 1.008 37 L N 1.307 122.554 121.223 0.039 0.000 2.354 37 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 37 L C -0.285 176.565 176.870 -0.032 0.000 1.008 37 L CA -1.115 53.728 54.840 0.005 0.000 0.819 37 L CB 2.043 44.111 42.059 0.015 0.000 1.339 37 L HN 0.222 nan 8.230 nan 0.000 0.420 38 L N 3.356 124.539 121.223 -0.065 0.000 2.342 38 L HA 0.464 4.804 4.340 -0.000 0.000 0.276 38 L C -0.690 176.113 176.870 -0.113 0.000 0.997 38 L CA -0.351 54.432 54.840 -0.095 0.000 0.838 38 L CB 1.598 43.593 42.059 -0.106 0.000 1.224 38 L HN 0.353 nan 8.230 nan 0.000 0.416 39 L N 4.845 126.008 121.223 -0.100 0.000 2.283 39 L HA 0.322 4.662 4.340 -0.000 0.000 0.287 39 L C -0.328 176.468 176.870 -0.124 0.000 1.073 39 L CA -0.394 54.383 54.840 -0.104 0.000 0.822 39 L CB 0.959 42.977 42.059 -0.068 0.000 1.186 39 L HN 0.435 nan 8.230 nan 0.000 0.436 40 L N 3.852 124.980 121.223 -0.159 0.000 2.265 40 L HA 0.386 4.726 4.340 -0.000 0.000 0.289 40 L C -0.349 176.434 176.870 -0.145 0.000 1.033 40 L CA 0.054 54.787 54.840 -0.178 0.000 0.814 40 L CB 1.122 43.015 42.059 -0.276 0.000 1.203 40 L HN 0.376 nan 8.230 nan 0.000 0.423 41 D N 3.956 124.284 120.400 -0.120 0.000 2.428 41 D HA 0.153 4.793 4.640 -0.000 0.000 0.221 41 D C 0.805 177.045 176.300 -0.100 0.000 1.123 41 D CA -0.257 53.686 54.000 -0.095 0.000 0.869 41 D CB 1.101 41.854 40.800 -0.078 0.000 1.032 41 D HN 0.765 nan 8.370 nan 0.000 0.506 42 C N 2.649 121.892 119.300 -0.095 0.000 2.410 42 C HA -0.094 4.366 4.460 -0.000 0.000 0.281 42 C C 1.975 176.922 174.990 -0.072 0.000 1.318 42 C CA 0.190 59.154 59.018 -0.090 0.000 1.776 42 C CB -0.355 27.339 27.740 -0.077 0.000 1.942 42 C HN 0.647 nan 8.230 nan 0.000 0.508 43 D N 0.519 120.884 120.400 -0.059 0.000 2.178 43 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 43 D C 2.139 178.408 176.300 -0.052 0.000 0.974 43 D CA 0.982 54.955 54.000 -0.046 0.000 0.841 43 D CB -0.130 40.648 40.800 -0.037 0.000 0.953 43 D HN 0.309 nan 8.370 nan 0.000 0.478 44 V N 1.360 121.233 119.914 -0.069 0.000 2.591 44 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 44 V C 2.430 178.468 176.094 -0.092 0.000 1.053 44 V CA 0.587 62.836 62.300 -0.084 0.000 1.068 44 V CB -0.033 31.729 31.823 -0.101 0.000 0.689 44 V HN 0.171 nan 8.190 nan 0.000 0.462 45 I N 0.411 120.923 120.570 -0.098 0.000 2.163 45 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 45 I C 2.663 178.748 176.117 -0.054 0.000 1.085 45 I CA 1.794 63.029 61.300 -0.108 0.000 1.347 45 I CB -1.076 36.837 38.000 -0.145 0.000 1.044 45 I HN 0.343 nan 8.210 nan 0.000 0.408 46 R N 0.253 120.729 120.500 -0.039 0.000 2.070 46 R HA -0.212 4.128 4.340 -0.000 0.000 0.233 46 R C 2.257 178.586 176.300 0.048 0.000 1.137 46 R CA 1.488 57.595 56.100 0.012 0.000 0.945 46 R CB -0.510 29.786 30.300 -0.008 0.000 0.845 46 R HN 0.437 nan 8.270 nan 0.000 0.430 47 Q N 0.490 120.292 119.800 0.003 0.000 2.112 47 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 47 Q C 2.064 178.071 176.000 0.011 0.000 0.987 47 Q CA 1.552 57.353 55.803 -0.004 0.000 0.858 47 Q CB 0.175 28.893 28.738 -0.034 0.000 0.905 47 Q HN 0.288 nan 8.270 nan 0.000 0.420 48 Q N -0.762 119.033 119.800 -0.008 0.000 2.083 48 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 48 Q C 1.863 177.976 176.000 0.188 0.000 0.969 48 Q CA 1.291 57.101 55.803 0.012 0.000 0.838 48 Q CB -0.585 28.040 28.738 -0.188 0.000 0.900 48 Q HN 0.521 nan 8.270 nan 0.000 0.436 49 Y N 2.134 122.447 120.300 0.020 0.000 2.081 49 Y HA -0.268 4.282 4.550 -0.000 0.000 0.280 49 Y C 2.307 178.202 175.900 -0.007 0.000 1.163 49 Y CA 1.961 60.062 58.100 0.002 0.000 1.135 49 Y CB -0.108 38.317 38.460 -0.059 0.000 0.970 49 Y HN -0.001 nan 8.280 nan 0.000 0.498 50 R N -0.059 120.416 120.500 -0.041 0.000 2.096 50 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 50 R C 2.549 178.765 176.300 -0.140 0.000 1.127 50 R CA 1.197 57.224 56.100 -0.121 0.000 0.968 50 R CB -0.691 29.613 30.300 0.007 0.000 0.861 50 R HN 0.451 nan 8.270 nan 0.000 0.440 51 A N 1.191 123.983 122.820 -0.046 0.000 1.877 51 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 51 A C 2.097 179.611 177.584 -0.118 0.000 1.186 51 A CA 1.075 53.101 52.037 -0.017 0.000 0.620 51 A CB -0.454 18.615 19.000 0.114 0.000 0.822 51 A HN 0.226 nan 8.150 nan 0.000 0.443 52 L N -0.361 120.765 121.223 -0.163 0.000 2.027 52 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 52 L C 2.284 178.905 176.870 -0.415 0.000 1.074 52 L CA 2.582 57.171 54.840 -0.417 0.000 0.745 52 L CB -0.555 41.210 42.059 -0.490 0.000 0.898 52 L HN 0.352 nan 8.230 nan 0.000 0.433 53 K N -0.058 120.060 120.400 -0.471 0.000 2.034 53 K HA -0.236 4.084 4.320 -0.000 0.000 0.214 53 K C 1.968 178.408 176.600 -0.267 0.000 1.051 53 K CA 2.015 58.039 56.287 -0.438 0.000 0.931 53 K CB -0.339 31.802 32.500 -0.600 0.000 0.715 53 K HN 0.337 nan 8.250 nan 0.000 0.446 54 N N -0.150 118.422 118.700 -0.214 0.000 2.166 54 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 54 N C 1.491 176.916 175.510 -0.142 0.000 1.019 54 N CA 1.437 54.401 53.050 -0.142 0.000 0.856 54 N CB -0.427 37.999 38.487 -0.102 0.000 0.993 54 N HN 0.358 nan 8.380 nan 0.000 0.426 55 A N 0.008 122.719 122.820 -0.181 0.000 1.929 55 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 55 A C 1.012 178.485 177.584 -0.186 0.000 1.176 55 A CA 0.728 52.658 52.037 -0.179 0.000 0.628 55 A CB -0.111 18.748 19.000 -0.234 0.000 0.816 55 A HN 0.218 nan 8.150 nan 0.000 0.444 56 L N 1.691 122.774 121.223 -0.234 0.000 2.506 56 L HA 0.288 4.628 4.340 -0.000 0.000 0.247 56 L C -2.527 174.246 176.870 -0.162 0.000 1.141 56 L CA -2.024 52.695 54.840 -0.203 0.000 0.973 56 L CB 1.491 43.385 42.059 -0.275 0.000 1.319 56 L HN 0.139 nan 8.230 nan 0.000 0.455 57 P HA 0.106 nan 4.420 nan 0.000 0.274 57 P C -0.214 177.050 177.300 -0.061 0.000 1.231 57 P CA 0.028 63.075 63.100 -0.089 0.000 0.790 57 P CB 0.614 32.274 31.700 -0.067 0.000 0.951 58 N N -1.946 116.732 118.700 -0.037 0.000 2.741 58 N HA -0.114 4.626 4.740 -0.000 0.000 0.251 58 N C -0.648 174.859 175.510 -0.005 0.000 1.112 58 N CA 0.666 53.719 53.050 0.004 0.000 0.750 58 N CB -2.011 36.484 38.487 0.014 0.000 1.119 58 N HN 0.225 nan 8.380 nan 0.000 0.561 59 V N 1.128 121.014 119.914 -0.046 0.000 2.417 59 V HA 0.286 4.406 4.120 -0.000 0.000 0.291 59 V C 0.649 176.721 176.094 -0.037 0.000 1.024 59 V CA -0.497 61.759 62.300 -0.073 0.000 0.861 59 V CB 2.038 33.804 31.823 -0.095 0.000 0.985 59 V HN 0.087 nan 8.190 nan 0.000 0.436 60 T N 6.934 121.483 114.554 -0.009 0.000 2.779 60 T HA 0.446 4.796 4.350 -0.000 0.000 0.296 60 T C -0.080 174.691 174.700 0.119 0.000 0.938 60 T CA -0.041 62.111 62.100 0.087 0.000 1.119 60 T CB 0.112 69.115 68.868 0.225 0.000 0.891 60 T HN 0.359 nan 8.240 nan 0.000 0.526 61 L N 4.578 125.841 121.223 0.067 0.000 2.262 61 L HA 0.352 4.692 4.340 -0.000 0.000 0.288 61 L C -0.095 176.799 176.870 0.040 0.000 1.035 61 L CA -0.717 54.182 54.840 0.098 0.000 0.820 61 L CB 0.261 42.365 42.059 0.074 0.000 1.204 61 L HN 0.675 nan 8.230 nan 0.000 0.424 62 H N 2.522 121.613 119.070 0.036 0.000 2.724 62 H HA 0.146 4.702 4.556 -0.000 0.000 0.278 62 H C -0.500 174.869 175.328 0.069 0.000 1.159 62 H CA -0.457 55.595 56.048 0.007 0.000 1.254 62 H CB 0.240 30.016 29.762 0.024 0.000 1.412 62 H HN 0.363 nan 8.280 nan 0.000 0.488 63 Y N 2.655 122.924 120.300 -0.051 0.000 2.802 63 Y HA 0.104 4.654 4.550 -0.000 0.000 0.333 63 Y C 0.126 176.134 175.900 0.180 0.000 1.244 63 Y CA -0.825 57.315 58.100 0.068 0.000 1.558 63 Y CB 0.110 38.580 38.460 0.017 0.000 1.233 63 Y HN 0.678 nan 8.280 nan 0.000 0.547 64 A N 7.621 130.182 122.820 -0.432 0.000 2.395 64 A HA 0.260 4.580 4.320 -0.000 0.000 0.286 64 A C 0.710 177.747 177.584 -0.912 0.000 1.193 64 A CA -0.531 51.239 52.037 -0.445 0.000 0.852 64 A CB -0.036 18.861 19.000 -0.172 0.000 1.118 64 A HN 0.958 nan 8.150 nan 0.000 0.524 65 L N 2.640 123.553 121.223 -0.516 0.000 2.131 65 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 65 L C 2.396 179.123 176.870 -0.237 0.000 1.092 65 L CA 1.746 56.383 54.840 -0.339 0.000 0.759 65 L CB -0.567 41.429 42.059 -0.104 0.000 0.903 65 L HN 0.850 nan 8.230 nan 0.000 0.435 66 K N -0.237 120.043 120.400 -0.200 0.000 2.049 66 K HA -0.223 4.096 4.320 -0.000 0.000 0.219 66 K C -0.489 176.000 176.600 -0.184 0.000 1.056 66 K CA 2.372 58.592 56.287 -0.112 0.000 0.946 66 K CB -1.134 31.355 32.500 -0.018 0.000 0.723 66 K HN 0.301 nan 8.250 nan 0.000 0.453 67 P HA -0.102 nan 4.420 nan 0.000 0.220 67 P C -0.073 177.016 177.300 -0.352 0.000 1.148 67 P CA 1.057 63.632 63.100 -0.876 0.000 0.803 67 P CB 0.286 31.384 31.700 -1.004 0.000 0.782 68 L N 0.448 121.597 121.223 -0.123 0.000 2.491 68 L HA 0.363 4.703 4.340 -0.000 0.000 0.260 68 L C -2.801 174.152 176.870 0.138 0.000 1.200 68 L CA -1.515 53.345 54.840 0.033 0.000 0.882 68 L CB 1.577 43.680 42.059 0.073 0.000 1.058 68 L HN -0.257 nan 8.230 nan 0.000 0.487 69 P HA 0.120 nan 4.420 nan 0.000 0.220 69 P C -0.378 176.960 177.300 0.064 0.000 1.793 69 P CA 0.008 63.147 63.100 0.065 0.000 0.917 69 P CB -0.362 31.331 31.700 -0.013 0.000 1.755 70 H N 2.065 121.151 119.070 0.026 0.000 2.646 70 H HA 0.172 4.727 4.556 -0.000 0.000 0.325 70 H C -1.553 173.761 175.328 -0.024 0.000 1.075 70 H CA -1.651 54.389 56.048 -0.013 0.000 1.421 70 H CB 1.418 31.164 29.762 -0.026 0.000 1.461 70 H HN -0.046 nan 8.280 nan 0.000 0.525 71 P HA -0.149 nan 4.420 nan 0.000 0.219 71 P C 1.491 178.837 177.300 0.076 0.000 1.146 71 P CA 0.621 63.684 63.100 -0.061 0.000 0.808 71 P CB 0.421 32.030 31.700 -0.152 0.000 0.779 72 V N -0.912 119.191 119.914 0.316 0.000 2.591 72 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 72 V C 2.433 178.554 176.094 0.044 0.000 1.053 72 V CA 1.313 63.703 62.300 0.150 0.000 1.068 72 V CB -0.995 30.885 31.823 0.095 0.000 0.689 72 V HN -0.028 nan 8.190 nan 0.000 0.462 73 V N 0.012 119.960 119.914 0.056 0.000 2.287 73 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 73 V C 2.465 178.543 176.094 -0.027 0.000 1.053 73 V CA 2.049 64.320 62.300 -0.049 0.000 1.027 73 V CB -0.573 31.221 31.823 -0.050 0.000 0.646 73 V HN 0.408 nan 8.190 nan 0.000 0.447 74 V N 0.026 119.963 119.914 0.039 0.000 2.287 74 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 74 V C 2.609 178.713 176.094 0.016 0.000 1.053 74 V CA 2.270 64.577 62.300 0.011 0.000 1.027 74 V CB -0.843 30.882 31.823 -0.164 0.000 0.646 74 V HN 0.484 nan 8.190 nan 0.000 0.447 75 R N -0.395 120.098 120.500 -0.011 0.000 2.075 75 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 75 R C 2.431 178.727 176.300 -0.007 0.000 1.126 75 R CA 1.868 57.963 56.100 -0.008 0.000 0.963 75 R CB -0.806 29.486 30.300 -0.013 0.000 0.858 75 R HN 0.506 nan 8.270 nan 0.000 0.435 76 T N 1.873 116.410 114.554 -0.028 0.000 2.684 76 T HA -0.105 4.244 4.350 -0.000 0.000 0.267 76 T C 1.942 176.584 174.700 -0.097 0.000 1.036 76 T CA 1.103 63.166 62.100 -0.062 0.000 1.148 76 T CB -0.158 68.660 68.868 -0.083 0.000 0.863 76 T HN 0.120 nan 8.240 nan 0.000 0.436 77 L N 0.260 121.422 121.223 -0.101 0.000 2.056 77 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 77 L C 2.456 179.231 176.870 -0.159 0.000 1.078 77 L CA 0.708 55.417 54.840 -0.218 0.000 0.749 77 L CB -0.507 41.425 42.059 -0.212 0.000 0.901 77 L HN 0.220 nan 8.230 nan 0.000 0.433 78 L N 0.330 121.636 121.223 0.137 0.000 2.042 78 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 78 L C 2.545 179.416 176.870 0.002 0.000 1.076 78 L CA 2.077 57.012 54.840 0.158 0.000 0.749 78 L CB -0.655 41.522 42.059 0.198 0.000 0.893 78 L HN 0.157 nan 8.230 nan 0.000 0.432 79 A N -1.323 121.481 122.820 -0.027 0.000 2.015 79 A HA -0.104 4.215 4.320 -0.000 0.000 0.219 79 A C 2.044 179.588 177.584 -0.066 0.000 1.163 79 A CA 1.243 53.257 52.037 -0.037 0.000 0.646 79 A CB -0.460 18.522 19.000 -0.030 0.000 0.806 79 A HN 0.509 nan 8.150 nan 0.000 0.448 80 E N -1.112 119.004 120.200 -0.140 0.000 2.427 80 E HA 0.083 4.433 4.350 -0.000 0.000 0.196 80 E C 1.293 177.806 176.600 -0.144 0.000 1.028 80 E CA 0.759 57.060 56.400 -0.166 0.000 0.864 80 E CB -0.177 29.311 29.700 -0.353 0.000 0.813 80 E HN 0.801 nan 8.360 nan 0.000 0.514 81 G N 0.794 109.496 108.800 -0.162 0.000 2.141 81 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.231 81 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.231 81 G C 0.481 175.273 174.900 -0.181 0.000 0.984 81 G CA 0.208 45.250 45.100 -0.097 0.000 0.660 81 G HN 0.514 nan 8.290 nan 0.000 0.525 82 A N -0.203 122.331 122.820 -0.477 0.000 2.346 82 A HA 0.840 5.160 4.320 -0.000 0.000 0.252 82 A C 0.916 178.124 177.584 -0.627 0.000 1.089 82 A CA 1.038 52.716 52.037 -0.598 0.000 0.797 82 A CB 0.617 19.032 19.000 -0.975 0.000 1.047 82 A HN 1.020 nan 8.150 nan 0.000 0.494 83 S N -1.179 114.119 115.700 -0.669 0.000 2.748 83 S HA 0.868 5.338 4.470 -0.000 0.000 0.299 83 S C -1.113 172.899 174.600 -0.980 0.000 1.119 83 S CA -0.172 57.566 58.200 -0.769 0.000 0.997 83 S CB 0.558 63.206 63.200 -0.920 0.000 1.223 83 S HN 0.483 nan 8.310 nan 0.000 0.541 84 F N 0.623 120.528 119.950 -0.075 0.000 2.608 84 F HA 0.404 4.931 4.527 -0.000 0.000 0.309 84 F C -0.800 175.129 175.800 0.215 0.000 1.103 84 F CA -0.962 57.108 58.000 0.116 0.000 0.954 84 F CB 1.642 40.698 39.000 0.093 0.000 1.267 84 F HN 0.414 nan 8.300 nan 0.000 0.444 85 D N 3.263 123.836 120.400 0.290 0.000 2.425 85 D HA 0.580 5.220 4.640 -0.000 0.000 0.240 85 D C -1.376 174.927 176.300 0.006 0.000 1.080 85 D CA -0.115 53.961 54.000 0.128 0.000 0.836 85 D CB 0.911 41.756 40.800 0.074 0.000 1.125 85 D HN 0.455 nan 8.370 nan 0.000 0.525 86 L N 2.664 123.848 121.223 -0.066 0.000 2.325 86 L HA 0.776 5.116 4.340 -0.000 0.000 0.278 86 L C 0.809 177.419 176.870 -0.433 0.000 1.023 86 L CA -0.914 53.808 54.840 -0.196 0.000 0.811 86 L CB 1.925 43.890 42.059 -0.157 0.000 1.249 86 L HN 0.557 nan 8.230 nan 0.000 0.431 87 A N 0.929 123.530 122.820 -0.365 0.000 2.226 87 A HA 0.344 4.664 4.320 -0.000 0.000 0.207 87 A C 0.632 178.114 177.584 -0.170 0.000 1.293 87 A CA 0.704 52.562 52.037 -0.298 0.000 0.968 87 A CB 0.455 19.396 19.000 -0.099 0.000 1.044 87 A HN 0.748 nan 8.150 nan 0.000 0.493 88 T N -5.584 108.898 114.554 -0.120 0.000 2.754 88 T HA 0.409 4.759 4.350 -0.000 0.000 0.296 88 T C 0.710 175.451 174.700 0.069 0.000 1.205 88 T CA 0.491 62.624 62.100 0.056 0.000 1.009 88 T CB 0.888 69.779 68.868 0.038 0.000 1.368 88 T HN -0.157 nan 8.240 nan 0.000 0.509 89 T N 0.615 115.217 114.554 0.079 0.000 2.737 89 T HA 0.078 4.428 4.350 -0.000 0.000 0.265 89 T C 2.275 176.963 174.700 -0.020 0.000 1.038 89 T CA 1.813 63.937 62.100 0.040 0.000 1.144 89 T CB -1.107 67.780 68.868 0.033 0.000 0.866 89 T HN 0.876 nan 8.240 nan 0.000 0.434 90 G N 1.577 110.363 108.800 -0.022 0.000 2.513 90 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 90 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 90 G C 1.455 176.307 174.900 -0.081 0.000 1.160 90 G CA 1.043 46.115 45.100 -0.047 0.000 0.767 90 G HN 0.534 nan 8.290 nan 0.000 0.571 91 E N -0.168 119.982 120.200 -0.083 0.000 2.106 91 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 91 E C 2.777 179.267 176.600 -0.184 0.000 0.984 91 E CA 0.763 57.092 56.400 -0.119 0.000 0.806 91 E CB -0.158 29.476 29.700 -0.110 0.000 0.750 91 E HN 0.313 nan 8.360 nan 0.000 0.458 92 V N 1.759 121.562 119.914 -0.186 0.000 2.231 92 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 92 V C 2.100 177.935 176.094 -0.432 0.000 1.054 92 V CA 2.161 64.250 62.300 -0.351 0.000 1.015 92 V CB -0.544 31.163 31.823 -0.193 0.000 0.638 92 V HN 0.249 nan 8.190 nan 0.000 0.444 93 E N -0.311 119.745 120.200 -0.239 0.000 2.097 93 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 93 E C 2.168 178.654 176.600 -0.190 0.000 1.000 93 E CA 1.728 58.019 56.400 -0.182 0.000 0.804 93 E CB -0.270 29.367 29.700 -0.104 0.000 0.740 93 E HN 0.519 nan 8.360 nan 0.000 0.454 94 L N 0.651 121.762 121.223 -0.185 0.000 1.970 94 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 94 L C 2.589 179.328 176.870 -0.218 0.000 1.071 94 L CA 1.655 56.389 54.840 -0.175 0.000 0.751 94 L CB -0.405 41.562 42.059 -0.152 0.000 0.889 94 L HN 0.165 nan 8.230 nan 0.000 0.432 95 V N -2.297 117.440 119.914 -0.296 0.000 2.332 95 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 95 V C 2.505 178.458 176.094 -0.234 0.000 1.055 95 V CA 1.703 63.800 62.300 -0.339 0.000 1.038 95 V CB -1.782 29.807 31.823 -0.390 0.000 0.651 95 V HN 0.465 nan 8.190 nan 0.000 0.450 96 A N 1.696 124.341 122.820 -0.292 0.000 1.902 96 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 96 A C 2.599 180.157 177.584 -0.044 0.000 1.181 96 A CA 2.648 54.630 52.037 -0.092 0.000 0.623 96 A CB -1.141 17.776 19.000 -0.137 0.000 0.818 96 A HN 0.999 nan 8.150 nan 0.000 0.443 97 S N -0.337 115.309 115.700 -0.089 0.000 2.442 97 S HA -0.101 4.369 4.470 -0.000 0.000 0.236 97 S C 1.041 175.605 174.600 -0.061 0.000 1.007 97 S CA 1.327 59.488 58.200 -0.065 0.000 0.965 97 S CB -0.204 62.950 63.200 -0.076 0.000 0.773 97 S HN 0.520 nan 8.310 nan 0.000 0.504 98 E N 1.069 121.220 120.200 -0.083 0.000 2.444 98 E HA 0.254 4.604 4.350 -0.000 0.000 0.191 98 E C 1.095 177.666 176.600 -0.047 0.000 1.041 98 E CA 0.338 56.693 56.400 -0.075 0.000 0.883 98 E CB -0.249 29.381 29.700 -0.115 0.000 1.024 98 E HN 0.655 nan 8.360 nan 0.000 0.470 99 G N 1.599 110.389 108.800 -0.016 0.000 2.356 99 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.296 99 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.296 99 G C 0.339 175.257 174.900 0.031 0.000 1.022 99 G CA 0.384 45.498 45.100 0.022 0.000 0.961 99 G HN 0.169 nan 8.290 nan 0.000 0.510 100 V N 1.508 121.439 119.914 0.028 0.000 2.427 100 V HA 0.277 4.397 4.120 -0.000 0.000 0.268 100 V C -1.245 174.938 176.094 0.147 0.000 1.046 100 V CA -1.311 61.020 62.300 0.052 0.000 0.970 100 V CB 1.155 32.915 31.823 -0.106 0.000 1.001 100 V HN 0.255 nan 8.190 nan 0.000 0.476 101 P HA 0.111 nan 4.420 nan 0.000 0.267 101 P C 0.639 177.959 177.300 0.034 0.000 1.209 101 P CA -0.001 63.125 63.100 0.044 0.000 0.763 101 P CB 0.839 32.558 31.700 0.033 0.000 0.816 102 A N 4.077 126.791 122.820 -0.176 0.000 2.131 102 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 102 A C 1.630 179.176 177.584 -0.063 0.000 1.158 102 A CA 1.717 53.574 52.037 -0.301 0.000 0.665 102 A CB -0.931 17.537 19.000 -0.886 0.000 0.795 102 A HN 0.618 nan 8.150 nan 0.000 0.460 103 D N -0.081 120.301 120.400 -0.031 0.000 2.348 103 D HA -0.069 4.571 4.640 -0.000 0.000 0.216 103 D C 1.217 177.560 176.300 0.071 0.000 0.970 103 D CA 0.511 54.521 54.000 0.016 0.000 0.889 103 D CB -0.441 40.361 40.800 0.004 0.000 0.912 103 D HN 0.496 nan 8.370 nan 0.000 0.524 104 L N 0.555 121.839 121.223 0.101 0.000 2.628 104 L HA 0.176 4.516 4.340 -0.000 0.000 0.229 104 L C 0.770 177.756 176.870 0.193 0.000 1.137 104 L CA 0.008 54.916 54.840 0.114 0.000 0.909 104 L CB -0.038 42.105 42.059 0.141 0.000 1.137 104 L HN 0.067 nan 8.230 nan 0.000 0.470 105 T N -1.133 113.569 114.554 0.245 0.000 2.908 105 T HA 0.711 5.061 4.350 -0.000 0.000 0.290 105 T C -0.406 174.439 174.700 0.240 0.000 1.034 105 T CA -0.671 61.616 62.100 0.312 0.000 1.010 105 T CB 2.538 71.607 68.868 0.336 0.000 1.068 105 T HN 0.134 nan 8.240 nan 0.000 0.481 106 I N -0.887 119.805 120.570 0.203 0.000 2.934 106 I HA 0.602 4.772 4.170 -0.000 0.000 0.306 106 I C -1.036 175.074 176.117 -0.011 0.000 1.110 106 I CA -1.185 60.119 61.300 0.007 0.000 1.019 106 I CB 2.486 40.407 38.000 -0.133 0.000 1.227 106 I HN 0.721 nan 8.210 nan 0.000 0.434 107 H N 3.199 122.131 119.070 -0.230 0.000 2.481 107 H HA 0.380 4.936 4.556 -0.000 0.000 0.333 107 H C -0.333 174.945 175.328 -0.083 0.000 1.066 107 H CA 0.068 56.007 56.048 -0.181 0.000 1.209 107 H CB 2.069 31.594 29.762 -0.395 0.000 1.445 107 H HN 0.916 nan 8.280 nan 0.000 0.488 108 T N 0.639 115.178 114.554 -0.026 0.000 3.040 108 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 108 T C 0.593 175.296 174.700 0.005 0.000 1.005 108 T CA -0.330 61.769 62.100 -0.002 0.000 0.906 108 T CB -0.143 68.678 68.868 -0.078 0.000 1.082 108 T HN 0.485 nan 8.240 nan 0.000 0.531 109 H N 3.592 122.680 119.070 0.029 0.000 3.026 109 H HA 0.218 4.774 4.556 -0.000 0.000 0.289 109 H C -2.054 173.269 175.328 -0.008 0.000 1.022 109 H CA -1.790 54.247 56.048 -0.017 0.000 1.477 109 H CB 1.732 31.556 29.762 0.104 0.000 1.510 109 H HN 0.061 nan 8.280 nan 0.000 0.535 110 P HA 0.010 nan 4.420 nan 0.000 0.233 110 P C -0.226 177.182 177.300 0.180 0.000 1.167 110 P CA 0.800 63.882 63.100 -0.030 0.000 0.770 110 P CB 0.444 31.900 31.700 -0.405 0.000 0.837 111 I N 0.072 120.857 120.570 0.359 0.000 2.476 111 I HA 0.309 4.479 4.170 -0.000 0.000 0.281 111 I C -0.135 175.938 176.117 -0.075 0.000 1.040 111 I CA -0.807 60.610 61.300 0.195 0.000 1.094 111 I CB 1.753 39.942 38.000 0.315 0.000 1.219 111 I HN -0.192 nan 8.210 nan 0.000 0.450 112 K N 5.274 125.636 120.400 -0.064 0.000 2.422 112 K HA 0.640 4.960 4.320 -0.000 0.000 0.251 112 K C -0.439 176.079 176.600 -0.136 0.000 0.933 112 K CA -0.875 55.327 56.287 -0.142 0.000 0.798 112 K CB 3.109 35.533 32.500 -0.126 0.000 1.238 112 K HN 0.401 nan 8.250 nan 0.000 0.428 113 R N 0.729 121.153 120.500 -0.127 0.000 2.560 113 R HA 0.015 4.355 4.340 -0.000 0.000 0.270 113 R C 0.712 176.929 176.300 -0.138 0.000 1.074 113 R CA -0.395 55.642 56.100 -0.104 0.000 1.140 113 R CB 0.375 30.633 30.300 -0.071 0.000 1.073 113 R HN 0.675 nan 8.270 nan 0.000 0.527 114 D N 1.539 121.871 120.400 -0.113 0.000 2.133 114 D HA -0.214 4.426 4.640 -0.000 0.000 0.192 114 D C 1.663 177.897 176.300 -0.110 0.000 1.001 114 D CA 2.213 56.152 54.000 -0.102 0.000 0.844 114 D CB 0.021 40.800 40.800 -0.034 0.000 0.944 114 D HN 0.609 nan 8.370 nan 0.000 0.447 115 A N 0.532 123.308 122.820 -0.073 0.000 1.908 115 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 115 A C 1.922 179.463 177.584 -0.071 0.000 1.181 115 A CA 2.057 54.061 52.037 -0.056 0.000 0.627 115 A CB -0.629 18.352 19.000 -0.032 0.000 0.818 115 A HN 0.249 nan 8.150 nan 0.000 0.445 116 D N 0.102 120.451 120.400 -0.085 0.000 2.123 116 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 116 D C 1.882 178.112 176.300 -0.118 0.000 0.992 116 D CA 1.410 55.372 54.000 -0.063 0.000 0.833 116 D CB -0.392 40.369 40.800 -0.064 0.000 0.954 116 D HN 0.562 nan 8.370 nan 0.000 0.455 117 I N 0.828 121.233 120.570 -0.276 0.000 2.142 117 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 117 I C 2.669 178.585 176.117 -0.336 0.000 1.078 117 I CA 1.091 62.093 61.300 -0.497 0.000 1.343 117 I CB -0.146 37.293 38.000 -0.936 0.000 1.046 117 I HN -0.103 nan 8.210 nan 0.000 0.405 118 R N 0.652 120.983 120.500 -0.281 0.000 2.083 118 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 118 R C 2.008 178.297 176.300 -0.018 0.000 1.137 118 R CA 1.814 57.833 56.100 -0.135 0.000 0.951 118 R CB -0.512 29.760 30.300 -0.046 0.000 0.851 118 R HN 0.371 nan 8.270 nan 0.000 0.434 119 D N 0.597 120.999 120.400 0.002 0.000 2.116 119 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 119 D C 1.809 178.178 176.300 0.116 0.000 0.998 119 D CA 1.806 55.837 54.000 0.052 0.000 0.836 119 D CB -0.346 40.479 40.800 0.042 0.000 0.951 119 D HN 0.287 nan 8.370 nan 0.000 0.449 120 A N 0.468 123.378 122.820 0.150 0.000 1.898 120 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 120 A C 2.456 180.201 177.584 0.267 0.000 1.181 120 A CA 0.820 53.007 52.037 0.249 0.000 0.620 120 A CB -0.757 18.398 19.000 0.258 0.000 0.819 120 A HN 0.191 nan 8.150 nan 0.000 0.442 121 L N -0.728 120.630 121.223 0.225 0.000 2.046 121 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 121 L C 3.134 180.072 176.870 0.114 0.000 1.077 121 L CA 1.059 55.998 54.840 0.166 0.000 0.747 121 L CB -0.545 41.565 42.059 0.085 0.000 0.896 121 L HN 0.446 nan 8.230 nan 0.000 0.432 122 A N -0.449 122.436 122.820 0.107 0.000 1.917 122 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 122 A C 2.201 179.858 177.584 0.122 0.000 1.182 122 A CA 2.032 54.127 52.037 0.096 0.000 0.633 122 A CB -1.032 18.019 19.000 0.084 0.000 0.819 122 A HN 0.551 nan 8.150 nan 0.000 0.448 123 Y N -0.072 120.250 120.300 0.037 0.000 2.224 123 Y HA 0.128 4.678 4.550 -0.000 0.000 0.289 123 Y C 1.580 177.499 175.900 0.032 0.000 1.146 123 Y CA 1.698 59.816 58.100 0.029 0.000 1.182 123 Y CB -0.264 38.213 38.460 0.029 0.000 0.983 123 Y HN 0.562 nan 8.280 nan 0.000 0.524 124 G N -1.547 107.150 108.800 -0.171 0.000 2.198 124 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.156 124 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.156 124 G C -0.376 174.420 174.900 -0.173 0.000 1.012 124 G CA -0.287 44.668 45.100 -0.242 0.000 0.692 124 G HN 0.574 nan 8.290 nan 0.000 0.492 125 C N 2.409 121.695 119.300 -0.024 0.000 2.415 125 C HA 0.712 5.172 4.460 -0.000 0.000 0.369 125 C C 1.241 176.205 174.990 -0.044 0.000 1.279 125 C CA 0.211 59.233 59.018 0.005 0.000 1.886 125 C CB 0.159 27.972 27.740 0.121 0.000 2.468 125 C HN 0.582 nan 8.230 nan 0.000 0.553 126 N N 4.173 122.838 118.700 -0.059 0.000 2.194 126 N HA 0.081 4.821 4.740 -0.000 0.000 0.231 126 N C -0.853 174.670 175.510 0.021 0.000 1.247 126 N CA -0.035 53.061 53.050 0.076 0.000 0.884 126 N CB 0.207 38.761 38.487 0.113 0.000 1.146 126 N HN 0.421 nan 8.380 nan 0.000 0.516 127 V N 1.523 121.313 119.914 -0.206 0.000 2.427 127 V HA 0.583 4.703 4.120 -0.000 0.000 0.286 127 V C -0.800 175.051 176.094 -0.405 0.000 1.034 127 V CA -0.394 61.809 62.300 -0.162 0.000 0.893 127 V CB 0.441 32.205 31.823 -0.097 0.000 0.982 127 V HN 0.009 nan 8.190 nan 0.000 0.452 128 F N 2.154 122.075 119.950 -0.049 0.000 2.643 128 F HA 0.707 5.234 4.527 -0.000 0.000 0.314 128 F C -0.233 175.523 175.800 -0.074 0.000 1.096 128 F CA -0.969 57.017 58.000 -0.024 0.000 0.953 128 F CB 2.156 41.122 39.000 -0.057 0.000 1.345 128 F HN 0.169 nan 8.300 nan 0.000 0.468 129 V N 2.379 122.432 119.914 0.232 0.000 2.581 129 V HA 0.769 4.889 4.120 -0.000 0.000 0.303 129 V C -0.790 175.383 176.094 0.131 0.000 1.041 129 V CA -0.796 61.568 62.300 0.107 0.000 0.907 129 V CB 1.840 33.695 31.823 0.053 0.000 0.994 129 V HN 0.622 nan 8.190 nan 0.000 0.442 130 V N 0.853 120.814 119.914 0.078 0.000 2.962 130 V HA 0.798 4.918 4.120 -0.000 0.000 0.313 130 V C -0.349 175.795 176.094 0.084 0.000 1.099 130 V CA -0.564 61.807 62.300 0.118 0.000 0.971 130 V CB 2.147 34.048 31.823 0.130 0.000 1.028 130 V HN 0.867 nan 8.190 nan 0.000 0.430 131 D N 0.717 121.180 120.400 0.104 0.000 2.538 131 D HA 0.173 4.813 4.640 -0.000 0.000 0.241 131 D C -0.033 176.329 176.300 0.102 0.000 1.297 131 D CA 0.216 54.272 54.000 0.095 0.000 0.804 131 D CB -0.065 40.797 40.800 0.103 0.000 1.122 131 D HN 0.895 nan 8.370 nan 0.000 0.519 132 N N -0.185 118.586 118.700 0.117 0.000 2.823 132 N HA 0.139 4.879 4.740 -0.000 0.000 0.251 132 N C 0.000 175.589 175.510 0.130 0.000 1.392 132 N CA -0.687 52.429 53.050 0.111 0.000 0.864 132 N CB 1.257 39.814 38.487 0.116 0.000 1.481 132 N HN -0.132 nan 8.380 nan 0.000 0.508 133 L N 0.421 121.715 121.223 0.117 0.000 2.109 133 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 133 L C 2.490 179.491 176.870 0.219 0.000 1.086 133 L CA 0.801 55.732 54.840 0.153 0.000 0.760 133 L CB -0.601 41.519 42.059 0.102 0.000 0.910 133 L HN 0.699 nan 8.230 nan 0.000 0.437 134 N N 0.660 119.457 118.700 0.162 0.000 2.061 134 N HA -0.288 4.452 4.740 -0.000 0.000 0.193 134 N C 1.828 177.422 175.510 0.140 0.000 1.030 134 N CA 2.006 55.138 53.050 0.138 0.000 0.856 134 N CB 0.144 38.690 38.487 0.099 0.000 1.023 134 N HN 0.301 nan 8.380 nan 0.000 0.424 135 E N 0.426 120.722 120.200 0.161 0.000 2.107 135 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 135 E C 1.997 178.775 176.600 0.296 0.000 0.982 135 E CA 0.356 56.865 56.400 0.181 0.000 0.809 135 E CB -0.392 29.432 29.700 0.206 0.000 0.756 135 E HN 0.316 nan 8.360 nan 0.000 0.459 136 L N 1.407 122.831 121.223 0.335 0.000 2.079 136 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 136 L C 2.169 179.336 176.870 0.494 0.000 1.081 136 L CA 2.197 57.306 54.840 0.449 0.000 0.752 136 L CB -0.551 41.730 42.059 0.370 0.000 0.896 136 L HN 0.308 nan 8.230 nan 0.000 0.433 137 E N -0.222 120.200 120.200 0.370 0.000 2.150 137 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 137 E C 1.827 178.393 176.600 -0.057 0.000 0.985 137 E CA 1.021 57.452 56.400 0.051 0.000 0.814 137 E CB -0.119 29.591 29.700 0.017 0.000 0.752 137 E HN 0.576 nan 8.360 nan 0.000 0.466 138 K N -0.471 119.907 120.400 -0.035 0.000 2.442 138 K HA -0.106 4.214 4.320 -0.000 0.000 0.198 138 K C 1.110 177.535 176.600 -0.292 0.000 1.044 138 K CA 0.871 57.033 56.287 -0.208 0.000 0.948 138 K CB -0.085 32.222 32.500 -0.322 0.000 0.762 138 K HN 0.179 nan 8.250 nan 0.000 0.472 139 F N 0.672 120.654 119.950 0.054 0.000 2.695 139 F HA 0.133 4.660 4.527 -0.000 0.000 0.303 139 F C 1.506 177.329 175.800 0.038 0.000 1.091 139 F CA 0.073 58.135 58.000 0.103 0.000 1.300 139 F CB 0.336 39.387 39.000 0.084 0.000 1.071 139 F HN -0.159 nan 8.300 nan 0.000 0.578 140 K N 0.389 120.804 120.400 0.026 0.000 2.057 140 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 140 K C 2.327 178.831 176.600 -0.160 0.000 1.050 140 K CA 1.196 57.422 56.287 -0.101 0.000 0.935 140 K CB -0.352 31.953 32.500 -0.325 0.000 0.715 140 K HN 0.200 nan 8.250 nan 0.000 0.439 141 A N 0.610 123.245 122.820 -0.307 0.000 1.978 141 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 141 A C 1.133 178.378 177.584 -0.565 0.000 1.170 141 A CA 1.360 53.072 52.037 -0.541 0.000 0.636 141 A CB -0.471 18.004 19.000 -0.875 0.000 0.810 141 A HN 0.367 nan 8.150 nan 0.000 0.448 142 Y N -0.507 119.788 120.300 -0.009 0.000 2.584 142 Y HA 0.166 4.716 4.550 -0.000 0.000 0.254 142 Y C 1.870 177.827 175.900 0.095 0.000 1.177 142 Y CA -0.049 58.076 58.100 0.042 0.000 1.216 142 Y CB -0.129 38.359 38.460 0.047 0.000 1.172 142 Y HN 0.468 nan 8.280 nan 0.000 0.529 143 R N -0.327 120.279 120.500 0.176 0.000 2.211 143 R HA -0.153 4.187 4.340 -0.000 0.000 0.240 143 R C 0.212 176.590 176.300 0.130 0.000 1.144 143 R CA 1.972 58.168 56.100 0.160 0.000 0.992 143 R CB -0.351 30.020 30.300 0.119 0.000 0.869 143 R HN 0.149 nan 8.270 nan 0.000 0.462 144 D N 0.539 121.008 120.400 0.114 0.000 2.340 144 D HA -0.030 4.610 4.640 -0.000 0.000 0.220 144 D C 0.484 176.850 176.300 0.110 0.000 1.039 144 D CA 0.578 54.634 54.000 0.094 0.000 0.866 144 D CB 0.163 41.003 40.800 0.067 0.000 0.913 144 D HN 0.360 nan 8.370 nan 0.000 0.523 145 D N 0.027 120.520 120.400 0.156 0.000 2.423 145 D HA 0.020 4.660 4.640 -0.000 0.000 0.212 145 D C 1.059 177.464 176.300 0.174 0.000 1.060 145 D CA 0.251 54.348 54.000 0.163 0.000 0.872 145 D CB 1.502 42.421 40.800 0.199 0.000 1.012 145 D HN 0.127 nan 8.370 nan 0.000 0.503 146 V N -0.403 119.620 119.914 0.183 0.000 3.019 146 V HA 0.703 4.823 4.120 -0.000 0.000 0.317 146 V C -0.942 175.206 176.094 0.090 0.000 1.094 146 V CA -0.903 61.504 62.300 0.179 0.000 1.000 146 V CB 2.584 34.518 31.823 0.185 0.000 1.060 146 V HN 0.051 nan 8.190 nan 0.000 0.443 147 E N 3.129 123.368 120.200 0.065 0.000 2.275 147 E HA 0.659 5.009 4.350 -0.000 0.000 0.270 147 E C -1.655 174.931 176.600 -0.024 0.000 0.882 147 E CA -0.936 55.473 56.400 0.015 0.000 0.758 147 E CB 2.567 32.284 29.700 0.027 0.000 1.195 147 E HN 0.699 nan 8.360 nan 0.000 0.419 148 L N 3.011 124.193 121.223 -0.068 0.000 2.329 148 L HA 0.492 4.832 4.340 -0.000 0.000 0.279 148 L C -0.348 176.496 176.870 -0.043 0.000 1.014 148 L CA -1.174 53.605 54.840 -0.102 0.000 0.814 148 L CB 1.262 43.198 42.059 -0.205 0.000 1.257 148 L HN 0.468 nan 8.230 nan 0.000 0.424 149 L N 3.126 124.331 121.223 -0.030 0.000 2.307 149 L HA 0.464 4.804 4.340 -0.000 0.000 0.282 149 L C -0.344 176.526 176.870 0.001 0.000 1.051 149 L CA -0.716 54.116 54.840 -0.013 0.000 0.804 149 L CB 1.825 43.869 42.059 -0.025 0.000 1.197 149 L HN 0.269 nan 8.230 nan 0.000 0.431 150 V N 3.530 123.456 119.914 0.019 0.000 2.407 150 V HA 0.373 4.493 4.120 -0.000 0.000 0.278 150 V C 0.199 176.321 176.094 0.048 0.000 1.037 150 V CA -0.621 61.700 62.300 0.035 0.000 0.900 150 V CB 1.303 33.151 31.823 0.041 0.000 0.983 150 V HN 0.677 nan 8.190 nan 0.000 0.459 151 R N 4.063 124.589 120.500 0.042 0.000 2.265 151 R HA 0.615 4.955 4.340 -0.000 0.000 0.319 151 R C -1.416 174.907 176.300 0.038 0.000 1.006 151 R CA -0.619 55.508 56.100 0.045 0.000 0.880 151 R CB 0.904 31.214 30.300 0.016 0.000 1.077 151 R HN 0.565 nan 8.270 nan 0.000 0.454 152 L N 2.544 123.788 121.223 0.035 0.000 2.334 152 L HA 0.485 4.825 4.340 -0.000 0.000 0.272 152 L C -0.207 176.428 176.870 -0.390 0.000 1.020 152 L CA -0.033 54.754 54.840 -0.088 0.000 0.812 152 L CB 1.993 44.084 42.059 0.053 0.000 1.264 152 L HN 0.813 nan 8.230 nan 0.000 0.439 153 S N 0.563 115.943 115.700 -0.533 0.000 2.599 153 S HA 0.926 5.396 4.470 -0.000 0.000 0.287 153 S C -0.841 173.257 174.600 -0.837 0.000 1.105 153 S CA -0.664 57.030 58.200 -0.843 0.000 0.899 153 S CB 1.646 64.647 63.200 -0.332 0.000 1.100 153 S HN 0.358 nan 8.310 nan 0.000 0.482 165 K N 2.026 122.376 120.400 -0.083 0.000 2.362 165 K HA 0.087 4.407 4.320 -0.000 0.000 0.200 165 K C 1.942 178.466 176.600 -0.127 0.000 1.046 165 K CA 1.311 57.546 56.287 -0.086 0.000 0.952 165 K CB -0.090 32.367 32.500 -0.072 0.000 0.753 165 K HN 0.511 nan 8.250 nan 0.000 0.466 166 K N -0.664 119.611 120.400 -0.208 0.000 2.044 166 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 166 K C -0.300 176.000 176.600 -0.499 0.000 1.049 166 K CA 0.784 56.822 56.287 -0.415 0.000 0.945 166 K CB 0.159 32.302 32.500 -0.596 0.000 0.724 166 K HN -0.087 nan 8.250 nan 0.000 0.440 167 F N -0.467 119.455 119.950 -0.047 0.000 2.579 167 F HA 0.571 5.098 4.527 -0.000 0.000 0.324 167 F C 0.162 175.927 175.800 -0.057 0.000 1.058 167 F CA -0.562 57.414 58.000 -0.040 0.000 0.944 167 F CB 2.138 41.109 39.000 -0.049 0.000 1.245 167 F HN 0.268 nan 8.300 nan 0.000 0.477 168 G N 0.312 109.225 108.800 0.188 0.000 2.906 168 G HA2 0.159 4.119 3.960 -0.000 0.000 0.686 168 G HA3 0.159 4.119 3.960 -0.000 0.000 0.686 168 G C -0.863 174.047 174.900 0.017 0.000 1.170 168 G CA -1.118 44.009 45.100 0.045 0.000 0.775 168 G HN 1.281 nan 8.290 nan 0.000 0.630 169 C N 1.396 120.702 119.300 0.011 0.000 2.335 169 C HA 0.966 5.426 4.460 -0.000 0.000 0.363 169 C C 1.414 176.401 174.990 -0.006 0.000 1.198 169 C CA -0.028 58.999 59.018 0.015 0.000 2.279 169 C CB 0.934 28.697 27.740 0.038 0.000 2.334 169 C HN 2.214 nan 8.230 nan 0.000 0.559 170 S N 0.983 116.693 115.700 0.016 0.000 2.579 170 S HA 0.273 4.743 4.470 -0.000 0.000 0.275 170 S C -1.724 172.921 174.600 0.075 0.000 1.345 170 S CA -0.331 57.895 58.200 0.043 0.000 1.031 170 S CB 0.165 63.391 63.200 0.044 0.000 0.892 170 S HN 0.709 nan 8.310 nan 0.000 0.529 171 P HA -0.166 nan 4.420 nan 0.000 0.216 171 P C 1.157 178.504 177.300 0.078 0.000 1.157 171 P CA 1.625 64.800 63.100 0.126 0.000 0.880 171 P CB -0.038 31.745 31.700 0.138 0.000 0.791 172 E N -0.495 119.741 120.200 0.061 0.000 2.058 172 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 172 E C 2.164 178.782 176.600 0.029 0.000 0.997 172 E CA 1.312 57.735 56.400 0.039 0.000 0.801 172 E CB -0.952 28.767 29.700 0.031 0.000 0.746 172 E HN 0.408 nan 8.360 nan 0.000 0.450 173 Q N 0.041 119.859 119.800 0.031 0.000 2.124 173 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 173 Q C 2.231 178.245 176.000 0.024 0.000 0.977 173 Q CA 1.271 57.088 55.803 0.024 0.000 0.850 173 Q CB -0.252 28.502 28.738 0.027 0.000 0.901 173 Q HN 0.327 nan 8.270 nan 0.000 0.429 174 A N 0.996 123.839 122.820 0.038 0.000 1.908 174 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 174 A C 2.062 179.661 177.584 0.026 0.000 1.181 174 A CA 1.268 53.330 52.037 0.041 0.000 0.627 174 A CB -0.716 18.323 19.000 0.065 0.000 0.818 174 A HN 0.296 nan 8.150 nan 0.000 0.445 175 L N -0.684 120.553 121.223 0.024 0.000 1.994 175 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 175 L C 2.557 179.419 176.870 -0.015 0.000 1.071 175 L CA 1.347 56.193 54.840 0.009 0.000 0.745 175 L CB -0.736 41.331 42.059 0.013 0.000 0.892 175 L HN 0.249 nan 8.230 nan 0.000 0.431 176 V N 0.307 120.210 119.914 -0.019 0.000 2.278 176 V HA -0.359 3.761 4.120 -0.000 0.000 0.251 176 V C 2.313 178.360 176.094 -0.079 0.000 1.062 176 V CA 2.212 64.484 62.300 -0.047 0.000 1.038 176 V CB -0.475 31.327 31.823 -0.034 0.000 0.646 176 V HN 0.332 nan 8.190 nan 0.000 0.447 177 I N -0.650 119.890 120.570 -0.050 0.000 2.163 177 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 177 I C 2.296 178.376 176.117 -0.063 0.000 1.081 177 I CA 1.821 63.089 61.300 -0.055 0.000 1.353 177 I CB -0.333 37.666 38.000 -0.001 0.000 1.054 177 I HN 0.220 nan 8.210 nan 0.000 0.407 178 I N 0.554 121.104 120.570 -0.032 0.000 2.151 178 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 178 I C 2.546 178.633 176.117 -0.051 0.000 1.080 178 I CA 1.542 62.827 61.300 -0.025 0.000 1.339 178 I CB -0.509 37.490 38.000 -0.002 0.000 1.039 178 I HN 0.259 nan 8.210 nan 0.000 0.409 179 E N 0.415 120.574 120.200 -0.068 0.000 2.038 179 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 179 E C 2.206 178.708 176.600 -0.164 0.000 1.000 179 E CA 2.164 58.510 56.400 -0.091 0.000 0.803 179 E CB -0.396 29.253 29.700 -0.086 0.000 0.750 179 E HN 0.506 nan 8.360 nan 0.000 0.448 180 T N 1.190 115.586 114.554 -0.263 0.000 2.759 180 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 180 T C 1.974 176.373 174.700 -0.500 0.000 1.042 180 T CA 1.288 63.065 62.100 -0.538 0.000 1.140 180 T CB -0.215 68.222 68.868 -0.719 0.000 0.864 180 T HN 0.262 nan 8.240 nan 0.000 0.455 181 A N 1.307 124.000 122.820 -0.212 0.000 1.969 181 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 181 A C 2.210 179.808 177.584 0.024 0.000 1.169 181 A CA 1.733 53.762 52.037 -0.014 0.000 0.635 181 A CB -0.468 18.543 19.000 0.019 0.000 0.810 181 A HN 0.497 nan 8.150 nan 0.000 0.445 182 K N 0.121 120.504 120.400 -0.027 0.000 1.973 182 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 182 K C 1.879 178.493 176.600 0.023 0.000 1.047 182 K CA 1.777 58.066 56.287 0.003 0.000 0.937 182 K CB -0.273 32.220 32.500 -0.012 0.000 0.721 182 K HN 0.573 nan 8.250 nan 0.000 0.440 183 E N -0.601 119.573 120.200 -0.043 0.000 2.147 183 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 183 E C 1.658 178.379 176.600 0.203 0.000 1.005 183 E CA 1.329 57.735 56.400 0.010 0.000 0.810 183 E CB -0.168 29.474 29.700 -0.097 0.000 0.736 183 E HN 0.513 nan 8.360 nan 0.000 0.460 184 W N 0.247 121.563 121.300 0.026 0.000 3.047 184 W HA 0.139 4.799 4.660 -0.000 0.000 0.250 184 W C 0.232 176.769 176.519 0.031 0.000 1.314 184 W CA 0.111 57.473 57.345 0.029 0.000 1.540 184 W CB -0.739 28.744 29.460 0.039 0.000 1.127 184 W HN 0.114 nan 8.180 nan 0.000 0.679 185 N N -0.838 117.998 118.700 0.228 0.000 2.818 185 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 185 N C -0.668 174.926 175.510 0.140 0.000 1.108 185 N CA 0.370 53.505 53.050 0.143 0.000 0.745 185 N CB -1.679 36.875 38.487 0.111 0.000 1.104 185 N HN -0.036 nan 8.380 nan 0.000 0.557 186 I N 0.941 121.613 120.570 0.170 0.000 2.342 186 I HA 0.144 4.314 4.170 -0.000 0.000 0.291 186 I C 1.062 177.230 176.117 0.084 0.000 1.010 186 I CA -0.477 60.909 61.300 0.143 0.000 1.308 186 I CB 1.037 39.152 38.000 0.191 0.000 1.400 186 I HN 0.124 nan 8.210 nan 0.000 0.488 187 R N 7.102 127.639 120.500 0.061 0.000 2.442 187 R HA 0.289 4.629 4.340 -0.000 0.000 0.291 187 R C -0.877 175.433 176.300 0.016 0.000 1.069 187 R CA -0.280 55.844 56.100 0.039 0.000 1.022 187 R CB 0.487 30.812 30.300 0.041 0.000 0.976 187 R HN 0.505 nan 8.270 nan 0.000 0.443 188 I N 5.758 126.338 120.570 0.016 0.000 2.321 188 I HA 0.068 4.238 4.170 -0.000 0.000 0.291 188 I C 1.059 177.185 176.117 0.014 0.000 0.998 188 I CA -0.107 61.197 61.300 0.007 0.000 1.227 188 I CB 1.551 39.557 38.000 0.010 0.000 1.368 188 I HN 0.841 nan 8.210 nan 0.000 0.466 189 K N 4.579 124.984 120.400 0.010 0.000 2.228 189 K HA 0.172 4.492 4.320 -0.000 0.000 0.202 189 K C 0.810 177.425 176.600 0.025 0.000 1.051 189 K CA 0.931 57.230 56.287 0.019 0.000 0.960 189 K CB 0.540 33.048 32.500 0.014 0.000 0.743 189 K HN 0.944 nan 8.250 nan 0.000 0.458 190 G N -0.332 108.480 108.800 0.020 0.000 2.398 190 G HA2 0.151 4.111 3.960 -0.000 0.000 0.251 190 G HA3 0.151 4.111 3.960 -0.000 0.000 0.251 190 G C -1.858 173.061 174.900 0.031 0.000 1.277 190 G CA -0.889 44.229 45.100 0.029 0.000 0.927 190 G HN 0.039 nan 8.290 nan 0.000 0.477 191 L N 0.826 122.076 121.223 0.045 0.000 2.342 191 L HA 0.806 5.146 4.340 -0.000 0.000 0.271 191 L C 0.484 177.388 176.870 0.057 0.000 1.008 191 L CA -0.769 54.114 54.840 0.072 0.000 0.818 191 L CB 2.162 44.294 42.059 0.122 0.000 1.296 191 L HN 0.941 nan 8.230 nan 0.000 0.427 192 S N 0.849 116.588 115.700 0.064 0.000 2.667 192 S HA 0.908 5.378 4.470 -0.000 0.000 0.292 192 S C -0.936 173.745 174.600 0.134 0.000 1.126 192 S CA -0.630 57.571 58.200 0.000 0.000 0.881 192 S CB 2.361 65.517 63.200 -0.073 0.000 1.132 192 S HN 0.542 nan 8.310 nan 0.000 0.492 193 F N -1.748 118.220 119.950 0.030 0.000 2.713 193 F HA 0.754 5.281 4.527 -0.000 0.000 0.311 193 F C -1.198 174.618 175.800 0.027 0.000 1.141 193 F CA -1.007 56.999 58.000 0.010 0.000 0.939 193 F CB 1.048 40.087 39.000 0.065 0.000 1.325 193 F HN 0.919 nan 8.300 nan 0.000 0.453 194 H N 0.915 120.072 119.070 0.146 0.000 2.689 194 H HA 0.550 5.106 4.556 -0.000 0.000 0.346 194 H C 0.042 175.424 175.328 0.090 0.000 1.037 194 H CA -0.856 55.226 56.048 0.057 0.000 1.234 194 H CB 2.209 31.960 29.762 -0.019 0.000 1.572 194 H HN 0.733 nan 8.280 nan 0.000 0.524 195 V N 2.039 121.994 119.914 0.069 0.000 3.623 195 V HA 0.537 4.657 4.120 -0.000 0.000 0.271 195 V C 0.852 176.986 176.094 0.066 0.000 1.248 195 V CA 0.601 62.902 62.300 0.001 0.000 1.156 195 V CB -0.522 31.134 31.823 -0.278 0.000 0.870 195 V HN 0.997 nan 8.190 nan 0.000 0.453 196 G N -0.435 108.553 108.800 0.314 0.000 2.592 196 G HA2 0.085 4.045 3.960 -0.000 0.000 0.685 196 G HA3 0.085 4.045 3.960 -0.000 0.000 0.685 196 G C -0.572 174.475 174.900 0.245 0.000 1.278 196 G CA -0.209 45.023 45.100 0.220 0.000 0.822 196 G HN 0.597 nan 8.290 nan 0.000 0.652 197 S N -0.069 115.733 115.700 0.171 0.000 2.585 197 S HA 0.444 4.914 4.470 -0.000 0.000 0.273 197 S C 0.968 175.649 174.600 0.134 0.000 1.339 197 S CA 1.389 59.693 58.200 0.173 0.000 1.028 197 S CB 0.857 64.064 63.200 0.010 0.000 0.906 197 S HN 2.152 nan 8.310 nan 0.000 0.528 198 Q N 1.853 121.761 119.800 0.180 0.000 2.443 198 Q HA -0.163 4.177 4.340 -0.000 0.000 0.337 198 Q C -0.609 175.482 176.000 0.152 0.000 1.401 198 Q CA 0.922 56.831 55.803 0.177 0.000 0.943 198 Q CB -2.035 26.808 28.738 0.174 0.000 1.177 198 Q HN 0.647 nan 8.270 nan 0.000 0.394 199 T N 0.777 115.437 114.554 0.176 0.000 2.727 199 T HA 0.280 4.630 4.350 -0.000 0.000 0.295 199 T C 1.353 176.258 174.700 0.342 0.000 0.915 199 T CA 0.197 62.441 62.100 0.240 0.000 1.066 199 T CB 0.799 69.829 68.868 0.270 0.000 0.891 199 T HN 0.492 nan 8.240 nan 0.000 0.516 200 T N -0.012 114.721 114.554 0.297 0.000 3.065 200 T HA 0.118 4.468 4.350 -0.000 0.000 0.252 200 T C 0.731 175.699 174.700 0.448 0.000 1.099 200 T CA -0.267 62.037 62.100 0.340 0.000 1.063 200 T CB 0.101 69.093 68.868 0.205 0.000 0.948 200 T HN 0.303 nan 8.240 nan 0.000 0.506 201 N N 2.610 121.521 118.700 0.351 0.000 2.469 201 N HA 0.332 5.072 4.740 -0.000 0.000 0.253 201 N C -1.990 173.583 175.510 0.105 0.000 0.970 201 N CA -2.407 50.761 53.050 0.197 0.000 0.940 201 N CB 2.184 40.736 38.487 0.109 0.000 1.128 201 N HN -0.008 nan 8.380 nan 0.000 0.503 202 P HA -0.087 nan 4.420 nan 0.000 0.225 202 P C 0.787 178.016 177.300 -0.119 0.000 1.148 202 P CA 0.825 63.590 63.100 -0.558 0.000 0.779 202 P CB 0.524 31.618 31.700 -1.010 0.000 0.780 203 N N 0.391 119.048 118.700 -0.071 0.000 2.309 203 N HA -0.122 4.618 4.740 -0.000 0.000 0.182 203 N C 1.629 177.121 175.510 -0.030 0.000 1.018 203 N CA 1.058 54.081 53.050 -0.046 0.000 0.876 203 N CB -0.322 38.145 38.487 -0.033 0.000 0.972 203 N HN 0.051 nan 8.380 nan 0.000 0.434 204 K N -0.735 119.664 120.400 -0.002 0.000 2.032 204 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 204 K C 1.718 178.240 176.600 -0.131 0.000 1.048 204 K CA 1.548 57.796 56.287 -0.065 0.000 0.927 204 K CB -0.359 32.098 32.500 -0.071 0.000 0.712 204 K HN 0.336 nan 8.250 nan 0.000 0.441 205 Y N 0.780 121.039 120.300 -0.068 0.000 2.128 205 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 205 Y C 2.422 178.219 175.900 -0.171 0.000 1.154 205 Y CA 0.938 59.018 58.100 -0.033 0.000 1.149 205 Y CB -0.663 37.821 38.460 0.039 0.000 0.976 205 Y HN -0.185 nan 8.280 nan 0.000 0.505 206 V N 0.442 120.332 119.914 -0.041 0.000 2.255 206 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 206 V C 2.055 177.901 176.094 -0.413 0.000 1.051 206 V CA 2.303 64.447 62.300 -0.261 0.000 1.018 206 V CB -0.675 31.036 31.823 -0.186 0.000 0.641 206 V HN 0.468 nan 8.190 nan 0.000 0.445 207 E N 0.427 120.481 120.200 -0.244 0.000 2.058 207 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 207 E C 2.327 178.642 176.600 -0.475 0.000 0.997 207 E CA 1.444 57.701 56.400 -0.238 0.000 0.801 207 E CB -0.432 29.153 29.700 -0.192 0.000 0.746 207 E HN 0.608 nan 8.360 nan 0.000 0.450 208 A N 1.316 123.753 122.820 -0.639 0.000 1.908 208 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 208 A C 2.227 179.363 177.584 -0.747 0.000 1.181 208 A CA 1.289 52.694 52.037 -1.053 0.000 0.627 208 A CB -0.653 17.530 19.000 -1.362 0.000 0.818 208 A HN 0.149 nan 8.150 nan 0.000 0.445 209 I N -1.242 119.063 120.570 -0.442 0.000 2.252 209 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 209 I C 2.471 178.445 176.117 -0.238 0.000 1.102 209 I CA 1.167 62.349 61.300 -0.196 0.000 1.385 209 I CB -0.503 37.423 38.000 -0.124 0.000 1.064 209 I HN 0.364 nan 8.210 nan 0.000 0.414 210 H N 0.545 119.442 119.070 -0.287 0.000 2.290 210 H HA -0.144 4.412 4.556 -0.000 0.000 0.298 210 H C 2.461 177.419 175.328 -0.617 0.000 1.087 210 H CA 2.017 57.824 56.048 -0.403 0.000 1.291 210 H CB -0.977 28.614 29.762 -0.284 0.000 1.369 210 H HN 0.263 nan 8.280 nan 0.000 0.492 211 T N 0.601 114.937 114.554 -0.363 0.000 2.635 211 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 211 T C 2.522 177.109 174.700 -0.190 0.000 1.040 211 T CA 1.693 63.601 62.100 -0.320 0.000 1.156 211 T CB -0.769 67.739 68.868 -0.601 0.000 0.863 211 T HN 0.421 nan 8.240 nan 0.000 0.430 212 C N 0.932 120.142 119.300 -0.150 0.000 2.422 212 C HA 0.004 4.464 4.460 -0.000 0.000 0.279 212 C C 2.853 177.839 174.990 -0.007 0.000 1.305 212 C CA 0.394 59.422 59.018 0.017 0.000 1.757 212 C CB -1.063 26.759 27.740 0.137 0.000 1.962 212 C HN 0.530 nan 8.230 nan 0.000 0.499 213 R N 0.122 120.563 120.500 -0.098 0.000 2.073 213 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 213 R C 2.221 178.510 176.300 -0.018 0.000 1.134 213 R CA 1.707 57.757 56.100 -0.082 0.000 0.952 213 R CB -0.405 29.811 30.300 -0.141 0.000 0.850 213 R HN 0.599 nan 8.270 nan 0.000 0.433 214 H N -0.290 118.791 119.070 0.017 0.000 2.353 214 H HA -0.080 4.476 4.556 -0.000 0.000 0.300 214 H C 2.269 177.607 175.328 0.017 0.000 1.090 214 H CA 1.521 57.573 56.048 0.006 0.000 1.327 214 H CB -0.585 29.169 29.762 -0.013 0.000 1.383 214 H HN 0.071 nan 8.280 nan 0.000 0.508 215 V N 1.214 121.205 119.914 0.128 0.000 2.287 215 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 215 V C 2.663 178.802 176.094 0.076 0.000 1.053 215 V CA 1.838 64.195 62.300 0.095 0.000 1.027 215 V CB -0.576 31.305 31.823 0.097 0.000 0.646 215 V HN 0.292 nan 8.190 nan 0.000 0.447 216 M N -0.737 118.905 119.600 0.069 0.000 2.108 216 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 216 M C 2.199 178.533 176.300 0.056 0.000 1.066 216 M CA 1.915 57.250 55.300 0.058 0.000 1.107 216 M CB -0.499 32.133 32.600 0.053 0.000 1.356 216 M HN 0.384 nan 8.290 nan 0.000 0.406 217 E N -0.074 120.168 120.200 0.070 0.000 2.038 217 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 217 E C 2.078 178.707 176.600 0.049 0.000 1.000 217 E CA 1.431 57.870 56.400 0.064 0.000 0.803 217 E CB -0.199 29.554 29.700 0.088 0.000 0.750 217 E HN 0.549 nan 8.360 nan 0.000 0.448 218 Q N 0.311 120.144 119.800 0.054 0.000 2.096 218 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 218 Q C 2.343 178.361 176.000 0.029 0.000 0.982 218 Q CA 1.475 57.301 55.803 0.037 0.000 0.850 218 Q CB -0.075 28.687 28.738 0.040 0.000 0.901 218 Q HN 0.123 nan 8.270 nan 0.000 0.422 219 V N 0.539 120.473 119.914 0.034 0.000 2.278 219 V HA -0.319 3.801 4.120 -0.000 0.000 0.251 219 V C 2.332 178.439 176.094 0.022 0.000 1.062 219 V CA 1.998 64.314 62.300 0.026 0.000 1.038 219 V CB -0.982 30.859 31.823 0.030 0.000 0.646 219 V HN 0.469 nan 8.190 nan 0.000 0.447 220 V N 0.859 120.788 119.914 0.025 0.000 2.223 220 V HA -0.187 3.932 4.120 -0.000 0.000 0.244 220 V C 1.582 177.686 176.094 0.016 0.000 1.045 220 V CA 2.024 64.337 62.300 0.022 0.000 1.000 220 V CB -1.197 30.641 31.823 0.024 0.000 0.635 220 V HN 0.704 nan 8.190 nan 0.000 0.445 221 E N 0.656 120.865 120.200 0.016 0.000 2.452 221 E HA 0.272 4.622 4.350 -0.000 0.000 0.293 221 E C 1.097 177.702 176.600 0.008 0.000 1.535 221 E CA 0.178 56.584 56.400 0.011 0.000 1.816 221 E CB -0.195 29.510 29.700 0.009 0.000 1.494 221 E HN 0.662 nan 8.360 nan 0.000 0.464 222 R N 0.156 120.661 120.500 0.008 0.000 2.541 222 R HA 0.183 4.523 4.340 -0.000 0.000 0.332 222 R C 0.656 176.958 176.300 0.003 0.000 0.951 222 R CA 0.549 56.652 56.100 0.005 0.000 1.136 222 R CB 0.492 30.794 30.300 0.005 0.000 1.449 222 R HN 0.483 nan 8.270 nan 0.000 0.531 223 G N 1.265 110.069 108.800 0.006 0.000 2.175 223 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 223 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 223 G C -0.163 174.741 174.900 0.007 0.000 0.982 223 G CA 0.115 45.218 45.100 0.006 0.000 0.641 223 G HN 0.146 nan 8.290 nan 0.000 0.527 224 L N 0.956 122.183 121.223 0.008 0.000 2.360 224 L HA 0.545 4.884 4.340 -0.000 0.000 0.271 224 L C -1.872 175.006 176.870 0.013 0.000 1.057 224 L CA -2.396 52.448 54.840 0.008 0.000 0.803 224 L CB 0.980 43.042 42.059 0.004 0.000 1.207 224 L HN -0.172 nan 8.230 nan 0.000 0.445 225 P HA 0.026 nan 4.420 nan 0.000 0.261 225 P C -0.589 176.724 177.300 0.022 0.000 1.183 225 P CA -0.097 63.015 63.100 0.019 0.000 0.761 225 P CB 0.518 32.230 31.700 0.021 0.000 0.785 226 A N 4.563 127.398 122.820 0.024 0.000 2.520 226 A HA 0.158 4.478 4.320 -0.000 0.000 0.235 226 A C 0.118 177.720 177.584 0.031 0.000 1.065 226 A CA -0.086 51.967 52.037 0.027 0.000 0.764 226 A CB -0.330 18.687 19.000 0.027 0.000 1.002 226 A HN 0.542 nan 8.150 nan 0.000 0.502 227 L N 2.691 123.935 121.223 0.035 0.000 2.276 227 L HA 0.215 4.555 4.340 -0.000 0.000 0.286 227 L C 1.527 178.424 176.870 0.044 0.000 1.061 227 L CA 0.089 54.952 54.840 0.039 0.000 0.807 227 L CB 1.523 43.607 42.059 0.041 0.000 1.177 227 L HN 0.999 nan 8.230 nan 0.000 0.429 228 S N 0.385 116.114 115.700 0.048 0.000 2.501 228 S HA 0.061 4.531 4.470 -0.000 0.000 0.220 228 S C 0.671 175.322 174.600 0.084 0.000 0.997 228 S CA -0.035 58.202 58.200 0.062 0.000 0.919 228 S CB 0.143 63.379 63.200 0.059 0.000 0.778 228 S HN 0.661 nan 8.310 nan 0.000 0.523 229 T N 2.138 116.730 114.554 0.063 0.000 2.893 229 T HA 0.664 5.014 4.350 -0.000 0.000 0.293 229 T C -1.604 173.107 174.700 0.018 0.000 1.027 229 T CA -0.594 61.534 62.100 0.047 0.000 0.988 229 T CB 1.902 70.796 68.868 0.042 0.000 1.043 229 T HN 0.234 nan 8.240 nan 0.000 0.461 230 L N 2.564 123.778 121.223 -0.015 0.000 2.376 230 L HA 0.660 5.000 4.340 -0.000 0.000 0.275 230 L C -1.420 175.399 176.870 -0.084 0.000 0.987 230 L CA -0.432 54.403 54.840 -0.009 0.000 0.828 230 L CB 1.664 43.747 42.059 0.041 0.000 1.249 230 L HN 0.545 nan 8.230 nan 0.000 0.409 231 D N 4.729 125.056 120.400 -0.121 0.000 2.392 231 D HA 0.256 4.895 4.640 -0.000 0.000 0.228 231 D C 0.806 176.867 176.300 -0.399 0.000 1.074 231 D CA -0.314 53.563 54.000 -0.204 0.000 0.838 231 D CB 1.084 41.774 40.800 -0.183 0.000 1.067 231 D HN 0.650 nan 8.370 nan 0.000 0.511 232 I N 1.141 121.465 120.570 -0.411 0.000 3.812 232 I HA 0.425 4.595 4.170 -0.000 0.000 0.320 232 I C 1.024 176.694 176.117 -0.745 0.000 1.276 232 I CA -0.150 60.672 61.300 -0.798 0.000 1.164 232 I CB -0.240 37.687 38.000 -0.122 0.000 1.009 232 I HN 0.447 nan 8.210 nan 0.000 0.431 233 G N 0.904 109.436 108.800 -0.447 0.000 2.642 233 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.231 233 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.231 233 G C 0.016 174.782 174.900 -0.222 0.000 1.338 233 G CA -0.442 44.461 45.100 -0.328 0.000 0.883 233 G HN 0.745 nan 8.290 nan 0.000 0.570 234 G N -2.877 105.667 108.800 -0.428 0.000 2.940 234 G HA2 0.728 4.688 3.960 -0.000 0.000 0.164 234 G HA3 0.728 4.688 3.960 -0.000 0.000 0.164 234 G C 1.449 175.999 174.900 -0.583 0.000 1.326 234 G CA 1.177 46.151 45.100 -0.211 0.000 1.020 234 G HN 2.633 nan 8.290 nan 0.000 0.586 235 G N -1.996 106.724 108.800 -0.133 0.000 2.194 235 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.236 235 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.236 235 G C 0.294 175.191 174.900 -0.005 0.000 0.987 235 G CA 0.100 45.197 45.100 -0.005 0.000 0.635 235 G HN 0.629 nan 8.290 nan 0.000 0.520 236 F N 3.034 123.077 119.950 0.154 0.000 2.608 236 F HA 0.403 4.930 4.527 -0.000 0.000 0.380 236 F C -0.850 174.939 175.800 -0.019 0.000 1.083 236 F CA -1.079 56.838 58.000 -0.138 0.000 1.266 236 F CB 0.215 39.026 39.000 -0.315 0.000 1.076 236 F HN -0.004 nan 8.300 nan 0.000 0.574 237 P HA 0.453 nan 4.420 nan 0.000 0.285 237 P C -1.086 176.305 177.300 0.151 0.000 1.269 237 P CA -0.458 62.685 63.100 0.071 0.000 0.844 237 P CB 2.234 33.913 31.700 -0.035 0.000 1.094 238 V N -1.116 118.848 119.914 0.083 0.000 3.126 238 V HA 0.596 4.716 4.120 -0.000 0.000 0.314 238 V C -0.277 175.698 176.094 -0.198 0.000 1.138 238 V CA -1.170 61.068 62.300 -0.105 0.000 1.034 238 V CB 1.655 33.315 31.823 -0.272 0.000 1.075 238 V HN 0.348 nan 8.190 nan 0.000 0.442 239 N N 1.422 119.980 118.700 -0.236 0.000 2.470 239 N HA 0.372 5.112 4.740 -0.000 0.000 0.268 239 N C -0.802 174.516 175.510 -0.321 0.000 1.136 239 N CA 0.189 53.141 53.050 -0.163 0.000 0.961 239 N CB 1.066 39.494 38.487 -0.099 0.000 1.067 239 N HN 0.806 nan 8.380 nan 0.000 0.468 240 Y N 0.508 120.826 120.300 0.030 0.000 2.812 240 Y HA 0.077 4.627 4.550 -0.000 0.000 0.212 240 Y C 2.414 178.331 175.900 0.029 0.000 0.996 240 Y CA 0.026 58.145 58.100 0.032 0.000 1.504 240 Y CB -0.647 37.806 38.460 -0.012 0.000 1.086 240 Y HN 0.466 nan 8.280 nan 0.000 0.537 241 T N -1.131 113.544 114.554 0.202 0.000 2.985 241 T HA 0.039 4.389 4.350 -0.000 0.000 0.266 241 T C 0.266 175.012 174.700 0.077 0.000 1.076 241 T CA 0.616 62.779 62.100 0.106 0.000 1.135 241 T CB -0.177 68.732 68.868 0.068 0.000 0.890 241 T HN 0.244 nan 8.240 nan 0.000 0.480 242 Q N 0.898 120.751 119.800 0.088 0.000 2.301 242 Q HA 0.426 4.766 4.340 -0.000 0.000 0.267 242 Q C -0.789 175.252 176.000 0.068 0.000 1.035 242 Q CA -0.668 55.176 55.803 0.067 0.000 0.856 242 Q CB 1.883 30.658 28.738 0.063 0.000 1.337 242 Q HN 0.404 nan 8.270 nan 0.000 0.450 243 Q N 1.093 120.924 119.800 0.052 0.000 2.293 243 Q HA 0.378 4.718 4.340 -0.000 0.000 0.251 243 Q C -0.112 175.924 176.000 0.060 0.000 0.930 243 Q CA -0.423 55.407 55.803 0.045 0.000 0.893 243 Q CB 1.596 30.355 28.738 0.034 0.000 1.215 243 Q HN 0.511 nan 8.270 nan 0.000 0.425 244 V N -0.381 119.569 119.914 0.060 0.000 2.975 244 V HA 0.501 4.621 4.120 -0.000 0.000 0.318 244 V C 0.034 176.183 176.094 0.092 0.000 1.077 244 V CA -1.268 61.082 62.300 0.083 0.000 1.000 244 V CB 1.579 33.447 31.823 0.074 0.000 1.066 244 V HN 0.895 nan 8.190 nan 0.000 0.452 245 M N 3.138 122.822 119.600 0.139 0.000 2.251 245 M HA 0.287 4.767 4.480 -0.000 0.000 0.343 245 M C -2.152 174.234 176.300 0.142 0.000 1.245 245 M CA -0.811 54.586 55.300 0.162 0.000 1.061 245 M CB 0.529 33.289 32.600 0.267 0.000 1.723 245 M HN 0.621 nan 8.290 nan 0.000 0.449 246 P HA -0.054 nan 4.420 nan 0.000 0.266 246 P C 0.350 177.721 177.300 0.118 0.000 1.193 246 P CA -0.007 63.153 63.100 0.100 0.000 0.770 246 P CB 0.401 32.143 31.700 0.069 0.000 0.836 247 I N 2.151 122.777 120.570 0.093 0.000 2.286 247 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 247 I C 1.338 177.459 176.117 0.006 0.000 1.115 247 I CA 1.852 63.151 61.300 -0.002 0.000 1.392 247 I CB -0.458 37.430 38.000 -0.187 0.000 1.065 247 I HN 0.258 nan 8.210 nan 0.000 0.418 248 D N 0.074 120.476 120.400 0.003 0.000 2.097 248 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 248 D C 2.167 178.472 176.300 0.008 0.000 0.989 248 D CA 1.141 55.132 54.000 -0.016 0.000 0.827 248 D CB -0.266 40.527 40.800 -0.012 0.000 0.966 248 D HN 0.437 nan 8.370 nan 0.000 0.456 249 Q N -0.455 119.370 119.800 0.043 0.000 2.123 249 Q HA -0.093 4.247 4.340 -0.000 0.000 0.199 249 Q C 2.223 178.258 176.000 0.058 0.000 0.966 249 Q CA 0.453 56.282 55.803 0.043 0.000 0.845 249 Q CB -0.558 28.214 28.738 0.057 0.000 0.907 249 Q HN 0.353 nan 8.270 nan 0.000 0.439 250 F N 0.931 120.861 119.950 -0.034 0.000 2.095 250 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 250 F C 2.051 177.806 175.800 -0.075 0.000 1.104 250 F CA 1.313 59.292 58.000 -0.035 0.000 1.232 250 F CB -0.055 38.931 39.000 -0.024 0.000 0.987 250 F HN 0.030 nan 8.300 nan 0.000 0.475 251 C N 0.152 119.477 119.300 0.041 0.000 2.618 251 C HA 0.299 4.759 4.460 -0.000 0.000 0.264 251 C C 2.919 177.845 174.990 -0.107 0.000 1.334 251 C CA 0.260 59.236 59.018 -0.071 0.000 1.731 251 C CB -1.807 25.878 27.740 -0.093 0.000 1.852 251 C HN 0.614 nan 8.230 nan 0.000 0.566 252 A N 2.996 125.764 122.820 -0.087 0.000 1.859 252 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 252 A C 0.457 177.989 177.584 -0.085 0.000 1.198 252 A CA 2.244 54.236 52.037 -0.074 0.000 0.629 252 A CB -1.819 17.150 19.000 -0.052 0.000 0.830 252 A HN 0.495 nan 8.150 nan 0.000 0.446 253 P HA -0.045 nan 4.420 nan 0.000 0.223 253 P C 1.440 178.673 177.300 -0.112 0.000 1.151 253 P CA 0.805 63.844 63.100 -0.102 0.000 0.787 253 P CB -0.169 31.460 31.700 -0.118 0.000 0.788 254 I N 0.225 120.710 120.570 -0.141 0.000 2.142 254 I HA -0.227 3.943 4.170 -0.000 0.000 0.240 254 I C 2.205 178.277 176.117 -0.075 0.000 1.078 254 I CA 1.325 62.559 61.300 -0.110 0.000 1.343 254 I CB -0.869 37.051 38.000 -0.133 0.000 1.046 254 I HN -0.085 nan 8.210 nan 0.000 0.405 255 N N 0.624 119.280 118.700 -0.074 0.000 2.149 255 N HA -0.228 4.512 4.740 -0.000 0.000 0.188 255 N C 1.835 177.321 175.510 -0.039 0.000 1.019 255 N CA 1.301 54.318 53.050 -0.054 0.000 0.857 255 N CB -0.341 38.112 38.487 -0.057 0.000 0.997 255 N HN 0.321 nan 8.380 nan 0.000 0.426 256 E N 0.949 121.124 120.200 -0.040 0.000 2.072 256 E HA 0.049 4.399 4.350 -0.000 0.000 0.191 256 E C 1.824 178.420 176.600 -0.006 0.000 0.985 256 E CA 1.113 57.502 56.400 -0.019 0.000 0.801 256 E CB -0.398 29.293 29.700 -0.016 0.000 0.750 256 E HN 0.305 nan 8.360 nan 0.000 0.452 257 A N 0.360 123.155 122.820 -0.042 0.000 1.908 257 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 257 A C 2.264 179.822 177.584 -0.043 0.000 1.181 257 A CA 1.541 53.526 52.037 -0.086 0.000 0.627 257 A CB -0.792 18.034 19.000 -0.292 0.000 0.818 257 A HN 0.326 nan 8.150 nan 0.000 0.445 258 L N 0.516 121.719 121.223 -0.034 0.000 2.201 258 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 258 L C 2.778 179.651 176.870 0.005 0.000 1.105 258 L CA 1.306 56.140 54.840 -0.009 0.000 0.775 258 L CB -0.400 41.653 42.059 -0.009 0.000 0.913 258 L HN 0.592 nan 8.230 nan 0.000 0.440 259 S N -0.310 115.394 115.700 0.006 0.000 2.507 259 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 259 S C 1.757 176.371 174.600 0.023 0.000 0.988 259 S CA 0.591 58.798 58.200 0.012 0.000 0.944 259 S CB -0.346 62.858 63.200 0.007 0.000 0.762 259 S HN 0.434 nan 8.310 nan 0.000 0.526 260 L N 0.481 121.726 121.223 0.036 0.000 2.341 260 L HA 0.312 4.652 4.340 -0.000 0.000 0.214 260 L C 0.652 177.546 176.870 0.040 0.000 1.115 260 L CA 0.035 54.903 54.840 0.047 0.000 0.820 260 L CB -0.320 41.788 42.059 0.081 0.000 0.944 260 L HN 0.270 nan 8.230 nan 0.000 0.452 261 L N 0.786 122.029 121.223 0.033 0.000 2.461 261 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 261 L C -1.925 174.964 176.870 0.032 0.000 1.197 261 L CA -1.928 52.931 54.840 0.032 0.000 0.836 261 L CB -0.445 41.632 42.059 0.029 0.000 1.105 261 L HN -0.196 nan 8.230 nan 0.000 0.477 262 P HA -0.020 nan 4.420 nan 0.000 0.261 262 P C -0.108 177.213 177.300 0.034 0.000 1.183 262 P CA 0.193 63.312 63.100 0.032 0.000 0.761 262 P CB 0.352 32.072 31.700 0.033 0.000 0.785 263 E N 0.974 121.192 120.200 0.031 0.000 2.520 263 E HA -0.097 4.253 4.350 -0.000 0.000 0.201 263 E C 1.304 177.928 176.600 0.040 0.000 1.122 263 E CA 0.637 57.058 56.400 0.034 0.000 0.896 263 E CB -0.224 29.491 29.700 0.027 0.000 0.891 263 E HN 0.546 nan 8.360 nan 0.000 0.533 264 T N -2.600 111.978 114.554 0.041 0.000 3.037 264 T HA 0.061 4.411 4.350 -0.000 0.000 0.251 264 T C 0.767 175.504 174.700 0.062 0.000 1.079 264 T CA -0.192 61.934 62.100 0.043 0.000 1.067 264 T CB 0.253 69.140 68.868 0.033 0.000 0.948 264 T HN -0.154 nan 8.240 nan 0.000 0.496 265 V N 2.996 122.948 119.914 0.065 0.000 2.508 265 V HA 0.297 4.416 4.120 -0.000 0.000 0.281 265 V C 0.088 176.252 176.094 0.117 0.000 1.041 265 V CA -0.710 61.637 62.300 0.078 0.000 1.016 265 V CB 0.233 32.089 31.823 0.055 0.000 0.984 265 V HN 0.595 nan 8.190 nan 0.000 0.478 266 H N 4.399 123.481 119.070 0.019 0.000 2.527 266 H HA 0.549 5.105 4.556 -0.000 0.000 0.321 266 H C -0.688 174.651 175.328 0.019 0.000 1.087 266 H CA -0.374 55.685 56.048 0.019 0.000 1.337 266 H CB 1.402 31.177 29.762 0.021 0.000 1.440 266 H HN 0.388 nan 8.280 nan 0.000 0.490 267 V N 7.383 127.036 119.914 -0.436 0.000 2.435 267 V HA 0.305 4.425 4.120 -0.000 0.000 0.290 267 V C -0.004 175.823 176.094 -0.445 0.000 1.030 267 V CA -0.700 61.405 62.300 -0.326 0.000 0.881 267 V CB 1.043 32.784 31.823 -0.136 0.000 0.983 267 V HN 0.613 nan 8.190 nan 0.000 0.445 268 L N 3.432 124.490 121.223 -0.275 0.000 2.286 268 L HA 1.037 5.377 4.340 -0.000 0.000 0.265 268 L C 0.072 176.899 176.870 -0.072 0.000 1.012 268 L CA -0.749 54.004 54.840 -0.145 0.000 0.818 268 L CB 1.870 43.827 42.059 -0.170 0.000 1.337 268 L HN 0.721 nan 8.230 nan 0.000 0.438 269 A N 0.212 123.046 122.820 0.025 0.000 2.566 269 A HA 0.708 5.028 4.320 -0.000 0.000 0.292 269 A C -1.083 176.580 177.584 0.132 0.000 1.112 269 A CA -0.523 51.566 52.037 0.088 0.000 0.707 269 A CB 1.669 20.777 19.000 0.181 0.000 1.302 269 A HN 0.782 nan 8.150 nan 0.000 0.409 270 E N 1.551 121.842 120.200 0.152 0.000 3.588 270 E HA 0.247 4.596 4.350 -0.000 0.000 0.213 270 E C -2.669 174.082 176.600 0.251 0.000 1.168 270 E CA -1.647 54.853 56.400 0.167 0.000 1.254 270 E CB 0.874 30.627 29.700 0.089 0.000 1.302 270 E HN 0.434 nan 8.360 nan 0.000 0.429 271 P HA 0.021 nan 4.420 nan 0.000 0.271 271 P C 0.206 177.721 177.300 0.358 0.000 1.220 271 P CA 0.277 63.644 63.100 0.444 0.000 0.768 271 P CB 1.954 33.895 31.700 0.401 0.000 0.848 272 G N 3.371 112.374 108.800 0.337 0.000 2.495 272 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.219 272 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.219 272 G C 1.397 176.497 174.900 0.334 0.000 1.875 272 G CA -0.061 45.179 45.100 0.234 0.000 0.757 272 G HN 0.429 nan 8.290 nan 0.000 0.682 273 R N -0.656 120.028 120.500 0.305 0.000 2.190 273 R HA -0.249 4.091 4.340 -0.000 0.000 0.255 273 R C 2.269 178.721 176.300 0.253 0.000 1.143 273 R CA 2.368 58.646 56.100 0.296 0.000 0.965 273 R CB -0.648 29.902 30.300 0.417 0.000 0.889 273 R HN 0.300 nan 8.270 nan 0.000 0.448 274 F N 0.730 120.801 119.950 0.202 0.000 2.120 274 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 274 F C 2.016 177.860 175.800 0.074 0.000 1.095 274 F CA 1.808 59.880 58.000 0.119 0.000 1.249 274 F CB -0.108 38.967 39.000 0.125 0.000 0.995 274 F HN 0.045 nan 8.300 nan 0.000 0.480 275 I N -0.580 120.112 120.570 0.204 0.000 2.277 275 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 275 I C 2.551 178.638 176.117 -0.051 0.000 1.094 275 I CA 1.287 62.630 61.300 0.073 0.000 1.393 275 I CB -0.475 37.617 38.000 0.154 0.000 1.078 275 I HN 0.424 nan 8.210 nan 0.000 0.417 276 C N -0.334 118.988 119.300 0.036 0.000 2.518 276 C HA 0.375 4.835 4.460 -0.000 0.000 0.283 276 C C 3.006 177.969 174.990 -0.045 0.000 1.351 276 C CA -0.098 58.915 59.018 -0.009 0.000 1.745 276 C CB -0.868 26.928 27.740 0.093 0.000 2.107 276 C HN 0.405 nan 8.230 nan 0.000 0.502 277 A N 3.128 125.936 122.820 -0.020 0.000 1.881 277 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 277 A C 0.220 177.744 177.584 -0.099 0.000 1.215 277 A CA 2.620 54.643 52.037 -0.023 0.000 0.648 277 A CB -2.038 16.974 19.000 0.020 0.000 0.832 277 A HN 0.581 nan 8.150 nan 0.000 0.455 278 P HA 0.114 nan 4.420 nan 0.000 0.233 278 P C 1.001 178.216 177.300 -0.140 0.000 1.167 278 P CA 1.204 64.195 63.100 -0.183 0.000 0.770 278 P CB 0.027 31.576 31.700 -0.252 0.000 0.837 279 A N -0.975 121.766 122.820 -0.132 0.000 2.218 279 A HA 0.154 4.474 4.320 -0.000 0.000 0.209 279 A C 0.747 178.263 177.584 -0.113 0.000 1.168 279 A CA 0.486 52.451 52.037 -0.120 0.000 0.804 279 A CB -0.264 18.660 19.000 -0.127 0.000 0.834 279 A HN 0.044 nan 8.150 nan 0.000 0.482 280 V N 1.027 120.877 119.914 -0.107 0.000 2.417 280 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 280 V C -0.334 175.700 176.094 -0.100 0.000 1.024 280 V CA -0.408 61.825 62.300 -0.111 0.000 0.861 280 V CB 1.510 33.260 31.823 -0.122 0.000 0.985 280 V HN 0.241 nan 8.190 nan 0.000 0.436 281 T N 3.460 117.959 114.554 -0.091 0.000 2.771 281 T HA 0.426 4.776 4.350 -0.000 0.000 0.281 281 T C 0.214 174.864 174.700 -0.084 0.000 0.982 281 T CA -0.438 61.618 62.100 -0.073 0.000 0.978 281 T CB 1.301 70.140 68.868 -0.047 0.000 0.930 281 T HN 0.838 nan 8.240 nan 0.000 0.447 282 S N 2.013 117.654 115.700 -0.097 0.000 2.586 282 S HA 0.696 5.166 4.470 -0.000 0.000 0.274 282 S C -0.360 174.237 174.600 -0.005 0.000 1.281 282 S CA -0.725 57.421 58.200 -0.089 0.000 1.035 282 S CB 0.876 63.960 63.200 -0.194 0.000 0.962 282 S HN 0.459 nan 8.310 nan 0.000 0.512 283 V N 1.453 121.376 119.914 0.015 0.000 2.525 283 V HA 0.805 4.925 4.120 -0.000 0.000 0.299 283 V C 0.092 176.226 176.094 0.067 0.000 1.034 283 V CA -0.525 61.800 62.300 0.041 0.000 0.863 283 V CB 0.941 32.779 31.823 0.026 0.000 0.999 283 V HN 1.268 nan 8.190 nan 0.000 0.423 284 A N 3.477 126.346 122.820 0.082 0.000 2.384 284 A HA 1.008 5.328 4.320 -0.000 0.000 0.312 284 A C -0.124 177.491 177.584 0.052 0.000 1.113 284 A CA -0.368 51.721 52.037 0.086 0.000 0.779 284 A CB 2.080 21.151 19.000 0.118 0.000 1.307 284 A HN 1.157 nan 8.150 nan 0.000 0.436 285 S N -0.066 115.667 115.700 0.055 0.000 2.566 285 S HA 0.641 5.111 4.470 -0.000 0.000 0.298 285 S C -0.588 174.046 174.600 0.057 0.000 1.083 285 S CA -0.647 57.579 58.200 0.043 0.000 0.978 285 S CB 1.264 64.495 63.200 0.052 0.000 1.073 285 S HN 0.958 nan 8.310 nan 0.000 0.491 286 V N 4.126 124.071 119.914 0.052 0.000 2.446 286 V HA 0.092 4.212 4.120 -0.000 0.000 0.276 286 V C 1.202 177.379 176.094 0.138 0.000 1.030 286 V CA 0.137 62.502 62.300 0.109 0.000 1.033 286 V CB -0.118 31.773 31.823 0.114 0.000 0.993 286 V HN 0.991 nan 8.190 nan 0.000 0.477 287 M N 3.292 122.993 119.600 0.169 0.000 2.334 287 M HA 0.251 4.731 4.480 -0.000 0.000 0.266 287 M C 1.000 177.391 176.300 0.151 0.000 1.082 287 M CA 1.231 56.621 55.300 0.149 0.000 1.141 287 M CB 0.228 32.918 32.600 0.150 0.000 1.380 287 M HN 0.820 nan 8.290 nan 0.000 0.440 288 G N 0.073 109.006 108.800 0.220 0.000 2.430 288 G HA2 0.542 4.502 3.960 -0.000 0.000 0.300 288 G HA3 0.542 4.502 3.960 -0.000 0.000 0.300 288 G C -2.073 173.055 174.900 0.380 0.000 1.330 288 G CA -0.751 44.474 45.100 0.207 0.000 0.813 288 G HN 0.300 nan 8.290 nan 0.000 0.487 289 Q N -1.677 118.305 119.800 0.302 0.000 2.527 289 Q HA 0.724 5.064 4.340 -0.000 0.000 0.280 289 Q C -1.261 174.857 176.000 0.197 0.000 0.977 289 Q CA -0.993 54.980 55.803 0.282 0.000 0.837 289 Q CB 1.849 30.645 28.738 0.097 0.000 1.454 289 Q HN 2.026 nan 8.270 nan 0.000 0.387 290 A N 1.122 124.059 122.820 0.195 0.000 2.574 290 A HA 0.523 4.842 4.320 -0.000 0.000 0.297 290 A C -1.219 176.404 177.584 0.064 0.000 1.062 290 A CA -0.760 51.339 52.037 0.103 0.000 0.686 290 A CB 1.900 20.961 19.000 0.102 0.000 1.285 290 A HN 0.636 nan 8.150 nan 0.000 0.403 291 E N 1.181 121.397 120.200 0.027 0.000 2.324 291 E HA 0.279 4.629 4.350 -0.000 0.000 0.271 291 E C -0.553 176.061 176.600 0.023 0.000 1.028 291 E CA 0.283 56.705 56.400 0.037 0.000 0.890 291 E CB 0.616 30.326 29.700 0.018 0.000 1.004 291 E HN 0.457 nan 8.360 nan 0.000 0.431 292 R N 2.693 123.242 120.500 0.081 0.000 2.532 292 R HA 0.147 4.487 4.340 -0.000 0.000 0.297 292 R C -0.471 175.890 176.300 0.102 0.000 0.984 292 R CA -0.783 55.313 56.100 -0.006 0.000 0.884 292 R CB 1.327 31.441 30.300 -0.311 0.000 1.182 292 R HN 0.478 nan 8.270 nan 0.000 0.442 293 E N 1.224 121.453 120.200 0.049 0.000 2.122 293 E HA -0.296 4.054 4.350 -0.000 0.000 0.198 293 E C 0.857 177.502 176.600 0.076 0.000 1.352 293 E CA 1.443 57.879 56.400 0.061 0.000 0.705 293 E CB -1.081 28.660 29.700 0.068 0.000 1.084 293 E HN 1.081 nan 8.360 nan 0.000 0.337 294 G N -0.556 108.281 108.800 0.061 0.000 2.217 294 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.246 294 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.246 294 G C 0.152 175.083 174.900 0.052 0.000 0.990 294 G CA 0.347 45.476 45.100 0.048 0.000 0.627 294 G HN 0.398 nan 8.290 nan 0.000 0.522 295 Q N -0.309 119.545 119.800 0.090 0.000 2.348 295 Q HA 0.694 5.034 4.340 -0.000 0.000 0.271 295 Q C -0.107 175.948 176.000 0.092 0.000 1.067 295 Q CA -0.913 54.929 55.803 0.065 0.000 0.839 295 Q CB 2.091 30.852 28.738 0.038 0.000 1.354 295 Q HN 0.381 nan 8.270 nan 0.000 0.447 296 I N 1.348 121.902 120.570 -0.027 0.000 2.371 296 I HA 0.151 4.321 4.170 -0.000 0.000 0.290 296 I C -0.795 175.171 176.117 -0.252 0.000 1.028 296 I CA -0.322 60.891 61.300 -0.145 0.000 1.345 296 I CB 0.452 38.263 38.000 -0.314 0.000 1.407 296 I HN 0.396 nan 8.210 nan 0.000 0.501 297 W N 6.448 127.502 121.300 -0.411 0.000 2.338 297 W HA 0.373 5.033 4.660 -0.000 0.000 0.307 297 W C -0.601 175.540 176.519 -0.630 0.000 1.167 297 W CA -0.161 56.893 57.345 -0.484 0.000 1.208 297 W CB 0.416 29.611 29.460 -0.442 0.000 1.228 297 W HN 0.256 nan 8.180 nan 0.000 0.499 298 Y N 2.810 123.000 120.300 -0.184 0.000 2.341 298 Y HA 0.355 4.904 4.550 -0.000 0.000 0.337 298 Y C -0.626 175.135 175.900 -0.231 0.000 1.014 298 Y CA -1.287 56.755 58.100 -0.096 0.000 1.111 298 Y CB 0.866 39.290 38.460 -0.060 0.000 1.194 298 Y HN 0.240 nan 8.280 nan 0.000 0.462 299 Y N 3.860 124.291 120.300 0.219 0.000 2.402 299 Y HA 0.477 5.027 4.550 -0.000 0.000 0.332 299 Y C -0.245 175.708 175.900 0.088 0.000 0.960 299 Y CA -0.683 57.499 58.100 0.138 0.000 1.228 299 Y CB 0.623 39.157 38.460 0.124 0.000 1.120 299 Y HN 0.382 nan 8.280 nan 0.000 0.491 300 L N 2.706 124.005 121.223 0.126 0.000 2.431 300 L HA 0.316 4.656 4.340 -0.000 0.000 0.260 300 L C 0.657 177.544 176.870 0.029 0.000 1.098 300 L CA -0.791 54.088 54.840 0.065 0.000 0.800 300 L CB 0.932 42.990 42.059 -0.002 0.000 1.210 300 L HN 0.590 nan 8.230 nan 0.000 0.465 301 D N -1.995 118.429 120.400 0.040 0.000 2.319 301 D HA 0.070 4.710 4.640 -0.000 0.000 0.230 301 D C -0.287 176.021 176.300 0.014 0.000 1.094 301 D CA 0.103 54.115 54.000 0.020 0.000 0.856 301 D CB 0.046 40.903 40.800 0.095 0.000 0.915 301 D HN 0.290 nan 8.370 nan 0.000 0.517 302 D N -1.537 118.889 120.400 0.044 0.000 2.753 302 D HA 0.639 5.279 4.640 -0.000 0.000 0.224 302 D C -0.172 176.224 176.300 0.159 0.000 1.213 302 D CA -0.510 53.574 54.000 0.140 0.000 0.833 302 D CB 2.060 43.008 40.800 0.246 0.000 1.607 302 D HN 0.107 nan 8.370 nan 0.000 0.463 303 G N 0.853 109.806 108.800 0.254 0.000 2.529 303 G HA2 0.128 4.088 3.960 -0.000 0.000 0.238 303 G HA3 0.128 4.088 3.960 -0.000 0.000 0.238 303 G C 0.180 175.251 174.900 0.285 0.000 1.207 303 G CA -0.348 44.871 45.100 0.199 0.000 0.928 303 G HN 0.430 nan 8.290 nan 0.000 0.495 304 I N -0.202 120.455 120.570 0.144 0.000 2.676 304 I HA 0.113 4.283 4.170 -0.000 0.000 0.259 304 I C 1.676 177.740 176.117 -0.087 0.000 1.194 304 I CA 0.946 62.255 61.300 0.014 0.000 1.473 304 I CB 0.057 37.962 38.000 -0.159 0.000 1.096 304 I HN 0.422 nan 8.210 nan 0.000 0.443 305 Y N -0.631 119.778 120.300 0.183 0.000 2.466 305 Y HA 0.296 4.846 4.550 -0.000 0.000 0.272 305 Y C 1.578 177.610 175.900 0.220 0.000 1.169 305 Y CA 0.257 58.489 58.100 0.220 0.000 1.285 305 Y CB -0.151 38.498 38.460 0.315 0.000 1.078 305 Y HN 0.092 nan 8.280 nan 0.000 0.523 306 G N -1.645 107.332 108.800 0.296 0.000 3.259 306 G HA2 0.065 4.025 3.960 -0.000 0.000 0.193 306 G HA3 0.065 4.025 3.960 -0.000 0.000 0.193 306 G C 1.037 176.026 174.900 0.149 0.000 1.457 306 G CA 0.144 45.380 45.100 0.226 0.000 0.771 306 G HN -0.010 nan 8.290 nan 0.000 0.765 307 S N 0.357 116.101 115.700 0.074 0.000 2.453 307 S HA 0.064 4.534 4.470 -0.000 0.000 0.231 307 S C 1.404 175.799 174.600 -0.341 0.000 1.005 307 S CA 0.844 58.941 58.200 -0.172 0.000 0.949 307 S CB -0.258 62.730 63.200 -0.353 0.000 0.774 307 S HN 0.311 nan 8.310 nan 0.000 0.510 308 F N 2.076 122.028 119.950 0.003 0.000 2.692 308 F HA 0.144 4.671 4.527 -0.000 0.000 0.303 308 F C 2.092 177.942 175.800 0.084 0.000 1.114 308 F CA -0.225 57.793 58.000 0.031 0.000 1.361 308 F CB -0.552 38.469 39.000 0.035 0.000 1.063 308 F HN 0.122 nan 8.300 nan 0.000 0.550 309 S N -0.331 115.489 115.700 0.200 0.000 2.423 309 S HA -0.239 4.231 4.470 -0.000 0.000 0.238 309 S C 2.399 177.138 174.600 0.232 0.000 1.028 309 S CA 1.252 59.567 58.200 0.192 0.000 1.000 309 S CB -1.166 62.219 63.200 0.308 0.000 0.797 309 S HN 0.469 nan 8.310 nan 0.000 0.487 310 G N 1.500 110.468 108.800 0.281 0.000 2.509 310 G HA2 0.031 3.991 3.960 -0.000 0.000 0.218 310 G HA3 0.031 3.991 3.960 -0.000 0.000 0.218 310 G C 1.275 176.292 174.900 0.195 0.000 1.124 310 G CA 0.546 45.829 45.100 0.306 0.000 0.776 310 G HN 0.539 nan 8.290 nan 0.000 0.547 311 L N -0.468 120.880 121.223 0.208 0.000 2.191 311 L HA -0.001 4.339 4.340 -0.000 0.000 0.212 311 L C 2.928 179.766 176.870 -0.054 0.000 1.103 311 L CA 0.636 55.517 54.840 0.068 0.000 0.769 311 L CB -0.240 41.886 42.059 0.112 0.000 0.908 311 L HN 0.201 nan 8.230 nan 0.000 0.438 312 M N -1.646 117.880 119.600 -0.124 0.000 2.412 312 M HA 0.004 4.484 4.480 -0.000 0.000 0.263 312 M C 2.069 178.199 176.300 -0.283 0.000 1.122 312 M CA 1.566 56.681 55.300 -0.308 0.000 1.179 312 M CB -0.189 32.071 32.600 -0.567 0.000 1.335 312 M HN 0.103 nan 8.290 nan 0.000 0.465 313 F N -0.015 119.922 119.950 -0.022 0.000 2.473 313 F HA -0.041 4.486 4.527 -0.000 0.000 0.294 313 F C 1.699 177.460 175.800 -0.064 0.000 1.103 313 F CA 0.832 58.813 58.000 -0.033 0.000 1.442 313 F CB -0.323 38.675 39.000 -0.004 0.000 1.097 313 F HN 0.171 nan 8.300 nan 0.000 0.547 314 D N -0.612 119.858 120.400 0.117 0.000 2.402 314 D HA -0.001 4.639 4.640 -0.000 0.000 0.216 314 D C -0.022 176.231 176.300 -0.079 0.000 1.128 314 D CA 0.124 54.120 54.000 -0.005 0.000 0.833 314 D CB -0.361 40.464 40.800 0.040 0.000 0.971 314 D HN -0.054 nan 8.370 nan 0.000 0.503 315 D N 0.128 120.484 120.400 -0.073 0.000 2.745 315 D HA -0.237 4.403 4.640 -0.000 0.000 0.225 315 D C -0.411 175.775 176.300 -0.190 0.000 1.212 315 D CA 0.815 54.748 54.000 -0.111 0.000 0.632 315 D CB -1.050 39.693 40.800 -0.095 0.000 0.994 315 D HN 0.338 nan 8.370 nan 0.000 0.407 316 A N 1.411 124.087 122.820 -0.240 0.000 2.271 316 A HA 0.717 5.037 4.320 -0.000 0.000 0.288 316 A C 0.446 177.691 177.584 -0.565 0.000 1.094 316 A CA -0.364 51.359 52.037 -0.524 0.000 0.828 316 A CB 0.957 19.565 19.000 -0.653 0.000 1.091 316 A HN 0.371 nan 8.150 nan 0.000 0.493 317 R N 0.722 120.756 120.500 -0.776 0.000 2.512 317 R HA 0.453 4.792 4.340 -0.000 0.000 0.291 317 R C -2.127 173.892 176.300 -0.469 0.000 1.097 317 R CA -0.326 55.483 56.100 -0.485 0.000 0.940 317 R CB 0.916 31.083 30.300 -0.223 0.000 1.198 317 R HN 0.741 nan 8.270 nan 0.000 0.429 318 Y N 3.559 123.931 120.300 0.120 0.000 2.387 318 Y HA 0.430 4.980 4.550 -0.000 0.000 0.330 318 Y C -1.807 174.192 175.900 0.166 0.000 1.133 318 Y CA -2.804 55.425 58.100 0.216 0.000 1.152 318 Y CB 0.898 39.511 38.460 0.255 0.000 1.215 318 Y HN 0.465 nan 8.280 nan 0.000 0.466 319 P HA 0.173 nan 4.420 nan 0.000 0.271 319 P C -0.935 176.472 177.300 0.180 0.000 1.226 319 P CA 0.194 63.402 63.100 0.180 0.000 0.765 319 P CB 0.460 32.240 31.700 0.134 0.000 0.835 320 L N 2.615 123.915 121.223 0.127 0.000 2.334 320 L HA 0.727 5.067 4.340 -0.000 0.000 0.273 320 L C 0.661 177.561 176.870 0.050 0.000 1.013 320 L CA -0.262 54.638 54.840 0.101 0.000 0.816 320 L CB 2.293 44.395 42.059 0.071 0.000 1.278 320 L HN 0.326 nan 8.230 nan 0.000 0.431 321 T N 0.016 114.591 114.554 0.035 0.000 2.787 321 T HA 0.677 5.027 4.350 -0.000 0.000 0.297 321 T C -1.099 173.594 174.700 -0.012 0.000 1.221 321 T CA -0.329 61.776 62.100 0.009 0.000 1.006 321 T CB 1.934 70.812 68.868 0.016 0.000 1.328 321 T HN 0.743 nan 8.240 nan 0.000 0.509 322 T N 0.202 114.742 114.554 -0.024 0.000 2.907 322 T HA 0.585 4.935 4.350 -0.000 0.000 0.292 322 T C 1.395 176.080 174.700 -0.025 0.000 1.043 322 T CA -0.834 61.241 62.100 -0.042 0.000 1.003 322 T CB 1.172 69.994 68.868 -0.077 0.000 1.084 322 T HN 0.468 nan 8.240 nan 0.000 0.483 323 I N 0.088 120.644 120.570 -0.023 0.000 2.252 323 I HA -0.014 4.156 4.170 -0.000 0.000 0.245 323 I C 1.475 177.585 176.117 -0.012 0.000 1.102 323 I CA 0.936 62.229 61.300 -0.011 0.000 1.385 323 I CB -0.072 37.925 38.000 -0.005 0.000 1.064 323 I HN 0.555 nan 8.210 nan 0.000 0.414 324 K N 1.812 122.199 120.400 -0.022 0.000 2.416 324 K HA -0.015 4.305 4.320 -0.000 0.000 0.283 324 K C 0.486 177.075 176.600 -0.017 0.000 1.037 324 K CA 0.152 56.428 56.287 -0.019 0.000 0.995 324 K CB 0.660 33.144 32.500 -0.027 0.000 0.938 324 K HN 0.143 nan 8.250 nan 0.000 0.475 325 Q N 0.807 120.603 119.800 -0.007 0.000 2.185 325 Q HA 0.123 4.463 4.340 -0.000 0.000 0.234 325 Q C 0.435 176.435 176.000 0.001 0.000 0.819 325 Q CA 0.011 55.812 55.803 -0.004 0.000 0.961 325 Q CB 1.653 30.391 28.738 -0.000 0.000 1.140 325 Q HN 0.754 nan 8.270 nan 0.000 0.492 326 G N -0.405 108.397 108.800 0.003 0.000 2.412 326 G HA2 0.567 4.527 3.960 -0.000 0.000 0.318 326 G HA3 0.567 4.527 3.960 -0.000 0.000 0.318 326 G C 0.221 175.128 174.900 0.012 0.000 1.146 326 G CA 0.313 45.418 45.100 0.008 0.000 0.882 326 G HN 0.228 nan 8.290 nan 0.000 0.501 327 G N 0.229 109.037 108.800 0.013 0.000 2.698 327 G HA2 0.030 3.990 3.960 -0.000 0.000 0.225 327 G HA3 0.030 3.990 3.960 -0.000 0.000 0.225 327 G C 0.079 174.989 174.900 0.018 0.000 1.345 327 G CA 0.096 45.206 45.100 0.017 0.000 0.871 327 G HN 1.310 nan 8.290 nan 0.000 0.540 328 E N -0.492 119.721 120.200 0.021 0.000 2.366 328 E HA 0.539 4.889 4.350 -0.000 0.000 0.266 328 E C 0.173 176.789 176.600 0.025 0.000 1.051 328 E CA -0.881 55.531 56.400 0.021 0.000 0.884 328 E CB 0.794 30.506 29.700 0.021 0.000 1.006 328 E HN 0.622 nan 8.360 nan 0.000 0.417 329 L N 3.250 124.485 121.223 0.021 0.000 2.290 329 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 329 L C -0.345 176.541 176.870 0.027 0.000 1.078 329 L CA -0.608 54.246 54.840 0.024 0.000 0.815 329 L CB 0.327 42.394 42.059 0.015 0.000 1.162 329 L HN 0.558 nan 8.230 nan 0.000 0.435 330 I N 5.000 125.594 120.570 0.040 0.000 2.404 330 I HA 0.358 4.528 4.170 -0.000 0.000 0.293 330 I C -2.093 174.042 176.117 0.030 0.000 0.992 330 I CA -2.121 59.202 61.300 0.038 0.000 1.149 330 I CB 1.675 39.708 38.000 0.056 0.000 1.315 330 I HN 0.359 nan 8.210 nan 0.000 0.446 331 P HA 0.024 nan 4.420 nan 0.000 0.258 331 P C -0.797 176.486 177.300 -0.029 0.000 1.172 331 P CA 0.360 63.453 63.100 -0.012 0.000 0.762 331 P CB 0.403 32.097 31.700 -0.010 0.000 0.764 332 S N 1.589 117.254 115.700 -0.058 0.000 2.595 332 S HA 0.575 5.045 4.470 -0.000 0.000 0.281 332 S C -0.625 173.829 174.600 -0.243 0.000 1.117 332 S CA -0.659 57.486 58.200 -0.092 0.000 0.873 332 S CB 1.756 65.010 63.200 0.091 0.000 1.108 332 S HN 0.124 nan 8.310 nan 0.000 0.477 333 V N 2.398 122.048 119.914 -0.441 0.000 2.540 333 V HA 0.492 4.612 4.120 -0.000 0.000 0.302 333 V C -0.917 174.888 176.094 -0.483 0.000 1.035 333 V CA -0.598 61.272 62.300 -0.717 0.000 0.873 333 V CB 1.469 32.261 31.823 -1.719 0.000 0.992 333 V HN 0.692 nan 8.190 nan 0.000 0.428 334 L N 3.996 124.994 121.223 -0.375 0.000 2.262 334 L HA 0.534 4.874 4.340 -0.000 0.000 0.288 334 L C 0.318 177.000 176.870 -0.313 0.000 1.035 334 L CA 0.149 54.830 54.840 -0.265 0.000 0.820 334 L CB 1.558 43.486 42.059 -0.219 0.000 1.204 334 L HN 0.698 nan 8.230 nan 0.000 0.424 335 S N 1.895 117.437 115.700 -0.263 0.000 2.593 335 S HA 0.758 5.228 4.470 -0.000 0.000 0.297 335 S C 0.254 174.822 174.600 -0.054 0.000 1.112 335 S CA -0.372 57.745 58.200 -0.140 0.000 1.043 335 S CB 1.659 64.816 63.200 -0.072 0.000 1.054 335 S HN 0.640 nan 8.310 nan 0.000 0.516 336 G N 1.920 110.725 108.800 0.008 0.000 2.588 336 G HA2 0.437 4.397 3.960 -0.000 0.000 0.281 336 G HA3 0.437 4.397 3.960 -0.000 0.000 0.281 336 G C -1.766 173.141 174.900 0.013 0.000 1.236 336 G CA -1.183 43.923 45.100 0.011 0.000 0.969 336 G HN 0.582 nan 8.290 nan 0.000 0.504 337 P HA -0.013 nan 4.420 nan 0.000 0.222 337 P C 1.271 178.341 177.300 -0.384 0.000 1.153 337 P CA 0.938 63.743 63.100 -0.492 0.000 0.798 337 P CB -0.237 30.691 31.700 -1.288 0.000 0.796 338 T N -2.191 112.278 114.554 -0.142 0.000 2.766 338 T HA 0.072 4.422 4.350 -0.000 0.000 0.295 338 T C 1.295 176.065 174.700 0.116 0.000 1.024 338 T CA -0.336 61.792 62.100 0.046 0.000 1.018 338 T CB -0.036 68.885 68.868 0.088 0.000 1.002 338 T HN 0.049 nan 8.240 nan 0.000 0.532 339 C N 0.319 119.659 119.300 0.068 0.000 2.522 339 C HA 0.156 4.616 4.460 -0.000 0.000 0.271 339 C C 1.154 176.230 174.990 0.144 0.000 1.425 339 C CA -0.360 58.707 59.018 0.082 0.000 1.751 339 C CB -1.569 26.179 27.740 0.013 0.000 1.775 339 C HN 0.864 nan 8.230 nan 0.000 0.557 340 D N 1.261 121.800 120.400 0.232 0.000 2.425 340 D HA 0.028 4.668 4.640 -0.000 0.000 0.247 340 D C 1.253 177.707 176.300 0.257 0.000 1.147 340 D CA 0.408 54.590 54.000 0.303 0.000 0.879 340 D CB 1.159 42.275 40.800 0.526 0.000 1.179 340 D HN 0.369 nan 8.370 nan 0.000 0.456 341 S N 2.410 118.228 115.700 0.198 0.000 2.382 341 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 341 S C 2.066 176.764 174.600 0.164 0.000 1.027 341 S CA 0.566 58.871 58.200 0.175 0.000 0.991 341 S CB -0.318 62.957 63.200 0.126 0.000 0.823 341 S HN 0.442 nan 8.310 nan 0.000 0.469 342 V N 2.452 122.452 119.914 0.142 0.000 2.867 342 V HA -0.083 4.037 4.120 -0.000 0.000 0.260 342 V C 0.685 176.811 176.094 0.053 0.000 1.099 342 V CA 1.549 63.892 62.300 0.071 0.000 1.122 342 V CB -0.666 31.171 31.823 0.024 0.000 0.708 342 V HN 0.387 nan 8.190 nan 0.000 0.490 343 D N 0.772 121.261 120.400 0.147 0.000 2.608 343 D HA 0.148 4.788 4.640 -0.000 0.000 0.224 343 D C -0.578 175.768 176.300 0.078 0.000 1.123 343 D CA 0.350 54.429 54.000 0.133 0.000 1.030 343 D CB -0.089 40.890 40.800 0.299 0.000 1.093 343 D HN 0.216 nan 8.370 nan 0.000 0.497 344 V N 4.297 124.209 119.914 -0.004 0.000 2.531 344 V HA 0.179 4.299 4.120 -0.000 0.000 0.301 344 V C 1.057 177.065 176.094 -0.143 0.000 1.034 344 V CA -0.735 61.512 62.300 -0.089 0.000 0.865 344 V CB 1.969 33.731 31.823 -0.102 0.000 0.995 344 V HN 0.167 nan 8.190 nan 0.000 0.424 345 I N 3.005 123.440 120.570 -0.224 0.000 2.494 345 I HA 0.292 4.462 4.170 -0.000 0.000 0.250 345 I C 1.119 177.115 176.117 -0.202 0.000 1.112 345 I CA 0.934 62.070 61.300 -0.274 0.000 1.438 345 I CB -0.404 37.248 38.000 -0.581 0.000 1.111 345 I HN 0.661 nan 8.210 nan 0.000 0.431 346 A N 0.467 123.151 122.820 -0.226 0.000 2.385 346 A HA 0.438 4.758 4.320 -0.000 0.000 0.290 346 A C 0.739 178.178 177.584 -0.242 0.000 1.094 346 A CA -0.489 51.437 52.037 -0.185 0.000 0.729 346 A CB 1.087 19.994 19.000 -0.156 0.000 1.194 346 A HN 0.182 nan 8.150 nan 0.000 0.442 347 E N 1.106 121.186 120.200 -0.201 0.000 2.216 347 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 347 E C 0.219 176.683 176.600 -0.227 0.000 0.988 347 E CA 0.777 57.040 56.400 -0.228 0.000 0.834 347 E CB 0.211 29.828 29.700 -0.138 0.000 0.772 347 E HN 0.733 nan 8.360 nan 0.000 0.479 348 N N 0.225 118.825 118.700 -0.166 0.000 2.655 348 N HA 0.251 4.991 4.740 -0.000 0.000 0.277 348 N C -1.812 173.640 175.510 -0.097 0.000 1.177 348 N CA -0.205 52.767 53.050 -0.130 0.000 0.882 348 N CB 1.066 39.501 38.487 -0.087 0.000 1.481 348 N HN -0.062 nan 8.380 nan 0.000 0.547 349 I N 3.780 124.294 120.570 -0.093 0.000 2.569 349 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 349 I C -1.316 174.781 176.117 -0.034 0.000 1.088 349 I CA -0.841 60.423 61.300 -0.060 0.000 1.047 349 I CB 1.555 39.513 38.000 -0.069 0.000 1.237 349 I HN 0.434 nan 8.210 nan 0.000 0.421 350 L N 8.009 129.221 121.223 -0.018 0.000 2.278 350 L HA 0.457 4.797 4.340 -0.000 0.000 0.287 350 L C -0.881 175.991 176.870 0.004 0.000 1.072 350 L CA -0.186 54.653 54.840 -0.002 0.000 0.819 350 L CB 0.671 42.729 42.059 -0.001 0.000 1.176 350 L HN 0.486 nan 8.230 nan 0.000 0.435 351 L N 4.995 126.232 121.223 0.023 0.000 2.393 351 L HA 0.584 4.924 4.340 -0.000 0.000 0.260 351 L C -2.416 174.475 176.870 0.034 0.000 1.002 351 L CA -2.116 52.733 54.840 0.016 0.000 0.818 351 L CB 2.488 44.550 42.059 0.005 0.000 1.369 351 L HN 0.319 nan 8.230 nan 0.000 0.412 352 P HA 0.050 nan 4.420 nan 0.000 0.272 352 P C -1.138 176.192 177.300 0.051 0.000 1.240 352 P CA -0.516 62.597 63.100 0.021 0.000 0.791 352 P CB 0.471 32.170 31.700 -0.002 0.000 0.978 353 K N 1.873 122.319 120.400 0.077 0.000 2.383 353 K HA 0.205 4.525 4.320 -0.000 0.000 0.286 353 K C -0.868 175.788 176.600 0.094 0.000 1.051 353 K CA 0.567 56.936 56.287 0.137 0.000 0.974 353 K CB -0.863 31.705 32.500 0.113 0.000 0.968 353 K HN 0.321 nan 8.250 nan 0.000 0.475 354 L N 3.869 125.168 121.223 0.127 0.000 2.334 354 L HA 0.456 4.796 4.340 -0.000 0.000 0.272 354 L C 0.160 177.104 176.870 0.123 0.000 1.020 354 L CA -1.015 53.812 54.840 -0.023 0.000 0.812 354 L CB 1.970 43.774 42.059 -0.425 0.000 1.264 354 L HN 0.715 nan 8.230 nan 0.000 0.439 355 N N 0.235 118.972 118.700 0.063 0.000 2.477 355 N HA 0.271 5.011 4.740 -0.000 0.000 0.284 355 N C -0.819 174.748 175.510 0.095 0.000 1.182 355 N CA -0.908 52.199 53.050 0.093 0.000 0.949 355 N CB 0.661 39.184 38.487 0.060 0.000 1.204 355 N HN 0.486 nan 8.380 nan 0.000 0.526 356 N N 0.555 119.321 118.700 0.111 0.000 2.411 356 N HA 0.104 4.844 4.740 -0.000 0.000 0.261 356 N C 1.135 176.687 175.510 0.069 0.000 1.248 356 N CA 1.113 54.225 53.050 0.103 0.000 0.885 356 N CB 0.412 38.956 38.487 0.096 0.000 1.062 356 N HN 0.877 nan 8.380 nan 0.000 0.471 357 G N 1.348 110.186 108.800 0.064 0.000 2.213 357 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.236 357 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.236 357 G C -0.166 174.749 174.900 0.025 0.000 0.991 357 G CA -0.127 45.000 45.100 0.045 0.000 0.629 357 G HN 0.577 nan 8.290 nan 0.000 0.517 358 D N 0.594 120.999 120.400 0.009 0.000 2.382 358 D HA 0.512 5.152 4.640 -0.000 0.000 0.240 358 D C 1.086 177.365 176.300 -0.035 0.000 1.146 358 D CA 0.106 54.093 54.000 -0.022 0.000 0.897 358 D CB 0.720 41.487 40.800 -0.055 0.000 1.197 358 D HN 0.343 nan 8.370 nan 0.000 0.432 359 L N 0.896 122.099 121.223 -0.034 0.000 2.325 359 L HA 0.473 4.813 4.340 -0.000 0.000 0.279 359 L C -0.329 176.516 176.870 -0.042 0.000 1.054 359 L CA -0.993 53.833 54.840 -0.022 0.000 0.804 359 L CB 1.467 43.524 42.059 -0.004 0.000 1.200 359 L HN -0.037 nan 8.230 nan 0.000 0.436 360 V N 4.218 124.118 119.914 -0.023 0.000 2.409 360 V HA 0.434 4.554 4.120 -0.000 0.000 0.291 360 V C -0.100 176.016 176.094 0.037 0.000 1.020 360 V CA -0.489 61.799 62.300 -0.020 0.000 0.848 360 V CB 2.040 33.833 31.823 -0.050 0.000 0.990 360 V HN 0.411 nan 8.190 nan 0.000 0.430 361 I N 4.056 124.649 120.570 0.039 0.000 2.378 361 I HA 0.598 4.768 4.170 -0.000 0.000 0.291 361 I C 0.687 176.859 176.117 0.093 0.000 0.992 361 I CA -0.256 61.077 61.300 0.054 0.000 1.154 361 I CB 1.497 39.514 38.000 0.027 0.000 1.315 361 I HN 0.687 nan 8.210 nan 0.000 0.448 362 G N 6.437 115.301 108.800 0.107 0.000 2.372 362 G HA2 0.656 4.616 3.960 -0.000 0.000 0.323 362 G HA3 0.656 4.616 3.960 -0.000 0.000 0.323 362 G C -0.275 174.651 174.900 0.043 0.000 1.152 362 G CA -0.627 44.549 45.100 0.127 0.000 0.906 362 G HN 0.510 nan 8.290 nan 0.000 0.460 363 R N 1.164 121.721 120.500 0.095 0.000 2.720 363 R HA 0.597 4.937 4.340 -0.000 0.000 0.272 363 R C 0.133 176.492 176.300 0.098 0.000 0.991 363 R CA -0.443 55.691 56.100 0.056 0.000 1.010 363 R CB 1.063 31.393 30.300 0.050 0.000 1.141 363 R HN 0.602 nan 8.270 nan 0.000 0.494 364 T N 1.037 115.601 114.554 0.016 0.000 4.039 364 T HA -0.116 4.234 4.350 -0.000 0.000 0.352 364 T C 0.415 175.196 174.700 0.136 0.000 0.756 364 T CA 0.712 62.813 62.100 0.002 0.000 1.923 364 T CB -0.707 68.064 68.868 -0.163 0.000 1.848 364 T HN 0.522 nan 8.240 nan 0.000 0.835 365 M N 0.040 119.623 119.600 -0.029 0.000 2.549 365 M HA 0.268 4.748 4.480 -0.000 0.000 0.273 365 M C 1.980 178.202 176.300 -0.130 0.000 1.213 365 M CA 0.518 55.706 55.300 -0.187 0.000 0.976 365 M CB -0.051 32.347 32.600 -0.338 0.000 1.457 365 M HN 0.500 nan 8.290 nan 0.000 0.485 366 G N 0.239 109.015 108.800 -0.041 0.000 2.539 366 G HA2 0.290 4.250 3.960 -0.000 0.000 0.215 366 G HA3 0.290 4.250 3.960 -0.000 0.000 0.215 366 G C 0.491 175.375 174.900 -0.025 0.000 1.141 366 G CA 0.212 45.283 45.100 -0.048 0.000 0.806 366 G HN 0.491 nan 8.290 nan 0.000 0.533 367 A N -0.446 122.401 122.820 0.044 0.000 2.304 367 A HA 0.622 4.942 4.320 -0.000 0.000 0.323 367 A C -0.345 177.286 177.584 0.079 0.000 1.195 367 A CA -0.808 51.204 52.037 -0.042 0.000 0.826 367 A CB 0.151 19.190 19.000 0.065 0.000 1.184 367 A HN 0.720 nan 8.150 nan 0.000 0.496 368 Y N 1.201 121.562 120.300 0.103 0.000 3.078 368 Y HA -0.310 4.240 4.550 -0.000 0.000 0.202 368 Y C 1.423 177.383 175.900 0.100 0.000 1.322 368 Y CA 1.100 59.256 58.100 0.093 0.000 1.118 368 Y CB -2.493 36.030 38.460 0.105 0.000 1.343 368 Y HN 0.987 nan 8.280 nan 0.000 0.499 369 T N -6.078 108.539 114.554 0.105 0.000 3.364 369 T HA 0.071 4.420 4.350 -0.000 0.000 0.179 369 T C 1.812 176.517 174.700 0.008 0.000 0.939 369 T CA 0.460 62.565 62.100 0.007 0.000 1.094 369 T CB -0.576 68.191 68.868 -0.169 0.000 1.532 369 T HN 0.326 nan 8.240 nan 0.000 0.346 370 S N 2.619 118.302 115.700 -0.029 0.000 2.400 370 S HA 0.040 4.510 4.470 -0.000 0.000 0.232 370 S C 2.435 177.056 174.600 0.035 0.000 1.025 370 S CA 1.148 59.352 58.200 0.006 0.000 0.993 370 S CB -1.222 61.976 63.200 -0.003 0.000 0.808 370 S HN 0.856 nan 8.310 nan 0.000 0.478 371 A N 2.055 124.889 122.820 0.025 0.000 1.940 371 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 371 A C 2.360 179.967 177.584 0.038 0.000 1.176 371 A CA 2.024 54.074 52.037 0.022 0.000 0.631 371 A CB -1.315 17.682 19.000 -0.006 0.000 0.814 371 A HN 0.818 nan 8.150 nan 0.000 0.446 372 T N -3.024 111.573 114.554 0.072 0.000 3.176 372 T HA 0.628 4.978 4.350 -0.000 0.000 0.263 372 T C 0.520 175.316 174.700 0.159 0.000 1.021 372 T CA 0.280 62.416 62.100 0.060 0.000 0.905 372 T CB -0.306 68.605 68.868 0.071 0.000 1.057 372 T HN 0.631 nan 8.240 nan 0.000 0.558 373 A N 2.269 125.175 122.820 0.143 0.000 2.483 373 A HA 0.532 4.852 4.320 -0.000 0.000 0.238 373 A C 0.989 178.699 177.584 0.210 0.000 1.070 373 A CA -0.040 52.107 52.037 0.183 0.000 0.770 373 A CB -0.007 19.078 19.000 0.141 0.000 1.008 373 A HN 0.681 nan 8.150 nan 0.000 0.497 374 T N -1.392 113.334 114.554 0.286 0.000 2.889 374 T HA 0.529 4.879 4.350 -0.000 0.000 0.278 374 T C -0.221 174.658 174.700 0.297 0.000 0.995 374 T CA -0.427 61.853 62.100 0.301 0.000 0.966 374 T CB 1.211 70.324 68.868 0.408 0.000 1.237 374 T HN 0.450 nan 8.240 nan 0.000 0.591 375 D N -0.036 120.546 120.400 0.304 0.000 2.559 375 D HA 0.198 4.838 4.640 -0.000 0.000 0.234 375 D C -0.292 176.247 176.300 0.398 0.000 1.226 375 D CA -0.300 53.905 54.000 0.342 0.000 0.830 375 D CB -0.177 40.814 40.800 0.318 0.000 1.028 375 D HN 0.367 nan 8.370 nan 0.000 0.492 376 F N 2.424 122.458 119.950 0.141 0.000 2.623 376 F HA -0.038 4.489 4.527 -0.000 0.000 0.383 376 F C 1.371 177.173 175.800 0.004 0.000 1.077 376 F CA 0.120 58.086 58.000 -0.057 0.000 1.268 376 F CB 0.263 39.014 39.000 -0.414 0.000 1.053 376 F HN -0.034 nan 8.300 nan 0.000 0.571 377 N N 3.970 122.359 118.700 -0.519 0.000 2.900 377 N HA -0.281 4.459 4.740 -0.000 0.000 0.240 377 N C 0.365 175.734 175.510 -0.234 0.000 0.953 377 N CA 1.463 54.219 53.050 -0.491 0.000 0.950 377 N CB -1.234 37.059 38.487 -0.323 0.000 1.102 377 N HN 0.656 nan 8.380 nan 0.000 0.593 378 F N -2.746 117.154 119.950 -0.082 0.000 3.057 378 F HA -0.253 4.274 4.527 -0.000 0.000 0.287 378 F C 0.398 176.132 175.800 -0.110 0.000 0.834 378 F CA 0.003 57.962 58.000 -0.067 0.000 1.147 378 F CB -2.718 36.219 39.000 -0.105 0.000 1.245 378 F HN 0.031 nan 8.300 nan 0.000 0.509 379 F N 1.416 121.459 119.950 0.154 0.000 2.572 379 F HA 0.167 4.694 4.527 -0.000 0.000 0.370 379 F C 1.377 177.254 175.800 0.128 0.000 1.103 379 F CA 0.104 58.175 58.000 0.118 0.000 1.286 379 F CB 0.392 39.455 39.000 0.103 0.000 1.105 379 F HN -0.239 nan 8.300 nan 0.000 0.583 380 K N 4.188 124.758 120.400 0.282 0.000 2.355 380 K HA 0.188 4.508 4.320 -0.000 0.000 0.270 380 K C 0.237 176.958 176.600 0.201 0.000 1.003 380 K CA -0.183 56.217 56.287 0.188 0.000 0.957 380 K CB 0.438 33.014 32.500 0.128 0.000 0.939 380 K HN 0.598 nan 8.250 nan 0.000 0.482 381 R N 0.587 121.176 120.500 0.148 0.000 2.531 381 R HA 0.271 4.611 4.340 -0.000 0.000 0.273 381 R C 0.063 176.422 176.300 0.099 0.000 1.070 381 R CA -0.505 55.674 56.100 0.131 0.000 1.112 381 R CB 0.714 31.077 30.300 0.105 0.000 1.049 381 R HN 0.710 nan 8.270 nan 0.000 0.508 382 A N 2.259 125.128 122.820 0.083 0.000 2.587 382 A HA -0.099 4.220 4.320 -0.000 0.000 0.235 382 A C 0.174 177.775 177.584 0.028 0.000 1.044 382 A CA 0.304 52.372 52.037 0.051 0.000 0.754 382 A CB 0.062 19.073 19.000 0.018 0.000 0.968 382 A HN 0.723 nan 8.150 nan 0.000 0.509 383 Q N 1.742 121.551 119.800 0.015 0.000 2.279 383 Q HA 0.300 4.640 4.340 -0.000 0.000 0.256 383 Q C -0.668 175.291 176.000 -0.068 0.000 0.937 383 Q CA -0.231 55.561 55.803 -0.019 0.000 0.933 383 Q CB 0.627 29.352 28.738 -0.022 0.000 1.189 383 Q HN 0.705 nan 8.270 nan 0.000 0.417 384 T N 5.431 119.951 114.554 -0.058 0.000 2.749 384 T HA 0.320 4.670 4.350 -0.000 0.000 0.295 384 T C -0.140 174.452 174.700 -0.179 0.000 0.936 384 T CA -0.399 61.645 62.100 -0.094 0.000 1.060 384 T CB 0.200 69.059 68.868 -0.015 0.000 0.904 384 T HN 0.414 nan 8.240 nan 0.000 0.500 385 I N 3.146 123.571 120.570 -0.243 0.000 2.339 385 I HA 0.441 4.611 4.170 -0.000 0.000 0.290 385 I C 0.565 176.544 176.117 -0.230 0.000 0.994 385 I CA -1.274 59.834 61.300 -0.320 0.000 1.191 385 I CB 0.608 38.377 38.000 -0.385 0.000 1.343 385 I HN 0.620 nan 8.210 nan 0.000 0.458 386 A N 8.310 131.009 122.820 -0.202 0.000 2.309 386 A HA 0.731 5.051 4.320 -0.000 0.000 0.290 386 A C -0.316 177.209 177.584 -0.100 0.000 1.206 386 A CA -0.321 51.618 52.037 -0.163 0.000 0.850 386 A CB 0.350 19.271 19.000 -0.132 0.000 1.118 386 A HN 0.709 nan 8.150 nan 0.000 0.523 387 L N 2.149 123.318 121.223 -0.090 0.000 2.342 387 L HA 0.464 4.804 4.340 -0.000 0.000 0.271 387 L C 0.223 177.065 176.870 -0.047 0.000 1.008 387 L CA -1.003 53.806 54.840 -0.052 0.000 0.818 387 L CB 1.372 43.403 42.059 -0.047 0.000 1.296 387 L HN 0.799 nan 8.230 nan 0.000 0.427 388 N N 0.931 119.615 118.700 -0.027 0.000 2.725 388 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 388 N C 0.207 175.699 175.510 -0.030 0.000 1.103 388 N CA 1.036 54.072 53.050 -0.024 0.000 0.707 388 N CB -0.821 37.650 38.487 -0.027 0.000 1.043 388 N HN 0.828 nan 8.380 nan 0.000 0.553 389 E N 0.000 120.182 120.200 -0.029 0.000 2.725 389 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 389 E CA 0.000 56.382 56.400 -0.030 0.000 0.976 389 E CB 0.000 29.685 29.700 -0.025 0.000 0.812 389 E HN 0.000 nan 8.360 nan 0.000 0.440