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 3eoq_1_A DATA FIRST_RESID 2 DATA SEQUENCE FREAELRNGL RVIAEVVPGA RSVALGYFVK TGARDETKEE SGVSHFLEHX DATA SEQUENCE VFKGPEDXDA LAVNRAFDRX GAQYNAFTSE EATVYYGAVL PEFAYDLLGL DATA SEQUENCE FAKLLRPALR EEDFQTEKLV ILEEIARYQD RPGFXAYEWA RARFFQGHPL DATA SEQUENCE GNSVLGTRES ITALTREGXA AYHRRRYLPK NXVLAATGRV DFDRLLAEAE DATA SEQUENCE RLTEAWPEGE AERAYPPLTP AFGVEERPYE KARALYLVAL FPGVAYQEEA DATA SEQUENCE RFPGQVLAHL LGEEGSGRLH FALVDKGLAE VASFGLEEAD RAGTFHAYVQ DATA SEQUENCE ADPARKGEVL AVLQEELDRL GREGVGEEEV ERAKTPLATG LVFAGETPXQ DATA SEQUENCE RLFHLGXEYL YTGRYLSLEE VKARVQRVTS REVNALLERG FLEKGLYYLV DATA SEQUENCE LPHG 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.530 175.800 -0.450 0.000 0.967 2 F CA 0.000 57.691 58.000 -0.514 0.000 1.383 2 F CB 0.000 38.449 39.000 -0.919 0.000 1.145 3 R N 4.464 124.189 120.500 -1.292 0.000 2.637 3 R HA 0.590 4.929 4.340 -0.001 0.000 0.291 3 R C -1.121 174.200 176.300 -1.633 0.000 0.963 3 R CA -0.798 54.467 56.100 -1.392 0.000 0.901 3 R CB 2.117 31.328 30.300 -1.814 0.000 1.160 3 R HN 0.842 nan 8.270 nan 0.000 0.457 4 E N 0.762 120.383 120.200 -0.964 0.000 2.314 4 E HA 0.799 5.149 4.350 -0.001 0.000 0.272 4 E C -1.493 175.057 176.600 -0.083 0.000 0.884 4 E CA -1.129 54.995 56.400 -0.459 0.000 0.753 4 E CB 2.316 31.918 29.700 -0.163 0.000 1.213 4 E HN 0.567 nan 8.360 nan 0.000 0.432 5 A N 1.975 124.863 122.820 0.113 0.000 2.593 5 A HA 0.649 4.968 4.320 -0.001 0.000 0.290 5 A C -1.515 176.124 177.584 0.093 0.000 1.126 5 A CA -0.780 51.343 52.037 0.143 0.000 0.695 5 A CB 2.184 21.327 19.000 0.237 0.000 1.290 5 A HN 0.704 nan 8.150 nan 0.000 0.414 6 E N 0.945 121.188 120.200 0.070 0.000 2.241 6 E HA 0.540 4.889 4.350 -0.001 0.000 0.263 6 E C -1.034 175.583 176.600 0.028 0.000 0.882 6 E CA -0.510 55.924 56.400 0.057 0.000 0.769 6 E CB 1.147 30.891 29.700 0.073 0.000 1.185 6 E HN 0.645 nan 8.360 nan 0.000 0.415 7 L N 3.411 124.640 121.223 0.010 0.000 2.474 7 L HA 0.169 4.508 4.340 -0.001 0.000 0.259 7 L C 2.091 178.964 176.870 0.006 0.000 1.232 7 L CA 0.118 54.952 54.840 -0.010 0.000 0.821 7 L CB 0.267 42.307 42.059 -0.032 0.000 1.108 7 L HN 0.682 nan 8.230 nan 0.000 0.495 8 R N 1.403 121.900 120.500 -0.004 0.000 2.091 8 R HA -0.181 4.159 4.340 -0.001 0.000 0.238 8 R C 1.594 177.905 176.300 0.018 0.000 1.136 8 R CA 2.116 58.219 56.100 0.006 0.000 0.959 8 R CB -0.261 30.037 30.300 -0.003 0.000 0.856 8 R HN 0.873 nan 8.270 nan 0.000 0.437 9 N N -0.591 118.121 118.700 0.020 0.000 2.550 9 N HA -0.010 4.730 4.740 -0.001 0.000 0.186 9 N C 1.088 176.635 175.510 0.063 0.000 1.110 9 N CA 1.299 54.377 53.050 0.046 0.000 0.912 9 N CB 0.126 38.649 38.487 0.059 0.000 0.968 9 N HN 0.456 nan 8.380 nan 0.000 0.448 10 G N -0.961 107.872 108.800 0.054 0.000 2.213 10 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.226 10 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.226 10 G C -0.266 174.683 174.900 0.082 0.000 0.992 10 G CA 0.035 45.174 45.100 0.065 0.000 0.632 10 G HN 0.467 nan 8.290 nan 0.000 0.511 11 L N 2.916 124.191 121.223 0.085 0.000 2.534 11 L HA 0.442 4.782 4.340 -0.001 0.000 0.271 11 L C 0.794 177.709 176.870 0.074 0.000 1.178 11 L CA -0.251 54.648 54.840 0.098 0.000 0.907 11 L CB 0.174 42.282 42.059 0.082 0.000 1.164 11 L HN 0.213 nan 8.230 nan 0.000 0.482 12 R N 4.833 125.392 120.500 0.097 0.000 2.298 12 R HA 0.405 4.744 4.340 -0.001 0.000 0.310 12 R C -1.057 175.243 176.300 0.001 0.000 1.068 12 R CA -0.496 55.655 56.100 0.085 0.000 0.957 12 R CB 0.924 31.344 30.300 0.199 0.000 1.003 12 R HN 0.468 nan 8.270 nan 0.000 0.454 13 V N 5.711 125.609 119.914 -0.027 0.000 2.409 13 V HA 0.520 4.639 4.120 -0.001 0.000 0.291 13 V C 0.343 176.424 176.094 -0.020 0.000 1.020 13 V CA -0.772 61.495 62.300 -0.056 0.000 0.848 13 V CB 1.504 33.263 31.823 -0.107 0.000 0.990 13 V HN 0.683 nan 8.190 nan 0.000 0.430 14 I N 1.900 122.401 120.570 -0.115 0.000 2.934 14 I HA 1.080 5.249 4.170 -0.001 0.000 0.306 14 I C -0.510 175.507 176.117 -0.167 0.000 1.110 14 I CA -0.931 60.186 61.300 -0.305 0.000 1.019 14 I CB 2.508 40.170 38.000 -0.564 0.000 1.227 14 I HN 0.650 nan 8.210 nan 0.000 0.434 15 A N 3.092 125.655 122.820 -0.429 0.000 2.574 15 A HA 0.570 4.889 4.320 -0.001 0.000 0.297 15 A C -1.304 176.105 177.584 -0.290 0.000 1.062 15 A CA -0.603 51.311 52.037 -0.205 0.000 0.686 15 A CB 1.689 20.728 19.000 0.064 0.000 1.285 15 A HN 0.805 nan 8.150 nan 0.000 0.403 16 E N 1.198 121.362 120.200 -0.059 0.000 2.046 16 E HA 0.389 4.738 4.350 -0.001 0.000 0.279 16 E C -0.909 175.689 176.600 -0.003 0.000 0.989 16 E CA -0.362 56.031 56.400 -0.011 0.000 0.798 16 E CB 1.354 31.118 29.700 0.108 0.000 1.086 16 E HN 0.367 nan 8.360 nan 0.000 0.399 17 V N 4.926 124.813 119.914 -0.045 0.000 2.356 17 V HA 0.040 4.159 4.120 -0.001 0.000 0.258 17 V C -0.025 176.079 176.094 0.016 0.000 1.065 17 V CA -0.323 61.972 62.300 -0.008 0.000 0.935 17 V CB 0.891 32.693 31.823 -0.036 0.000 1.061 17 V HN 0.382 nan 8.190 nan 0.000 0.484 18 V N 8.357 128.294 119.914 0.038 0.000 2.257 18 V HA 0.452 4.571 4.120 -0.001 0.000 0.269 18 V C -1.471 174.648 176.094 0.041 0.000 1.040 18 V CA -1.749 60.578 62.300 0.044 0.000 0.813 18 V CB 1.683 33.542 31.823 0.059 0.000 1.065 18 V HN 0.637 nan 8.190 nan 0.000 0.457 19 P HA -0.003 nan 4.420 nan 0.000 0.221 19 P C 1.419 178.738 177.300 0.033 0.000 1.145 19 P CA 1.540 64.659 63.100 0.033 0.000 0.795 19 P CB 0.176 31.893 31.700 0.027 0.000 0.775 20 G N -0.931 107.890 108.800 0.034 0.000 2.880 20 G HA2 0.209 4.168 3.960 -0.001 0.000 0.209 20 G HA3 0.209 4.168 3.960 -0.001 0.000 0.209 20 G C 0.601 175.524 174.900 0.039 0.000 1.157 20 G CA 0.253 45.373 45.100 0.034 0.000 0.779 20 G HN 0.414 nan 8.290 nan 0.000 0.539 21 A N 0.127 122.973 122.820 0.045 0.000 2.425 21 A HA 0.545 4.864 4.320 -0.001 0.000 0.242 21 A C 1.075 178.688 177.584 0.048 0.000 1.077 21 A CA -0.213 51.854 52.037 0.051 0.000 0.781 21 A CB 0.322 19.358 19.000 0.060 0.000 1.020 21 A HN 0.335 nan 8.150 nan 0.000 0.494 22 R N 0.173 120.704 120.500 0.052 0.000 2.509 22 R HA 0.185 4.525 4.340 -0.001 0.000 0.300 22 R C -0.048 176.289 176.300 0.062 0.000 0.985 22 R CA 0.681 56.812 56.100 0.051 0.000 1.092 22 R CB 0.242 30.570 30.300 0.047 0.000 1.237 22 R HN 0.831 nan 8.270 nan 0.000 0.546 23 S N -1.473 114.268 115.700 0.069 0.000 2.671 23 S HA 0.601 5.071 4.470 -0.001 0.000 0.277 23 S C -0.822 173.826 174.600 0.080 0.000 1.165 23 S CA -0.784 57.465 58.200 0.082 0.000 0.822 23 S CB 2.370 65.626 63.200 0.094 0.000 1.150 23 S HN -0.148 nan 8.310 nan 0.000 0.479 24 V N 0.878 120.846 119.914 0.091 0.000 2.525 24 V HA 0.803 4.923 4.120 -0.001 0.000 0.299 24 V C -0.128 176.046 176.094 0.134 0.000 1.034 24 V CA -0.348 62.005 62.300 0.088 0.000 0.863 24 V CB 1.252 33.096 31.823 0.035 0.000 0.999 24 V HN 1.294 nan 8.190 nan 0.000 0.423 25 A N 6.059 128.975 122.820 0.160 0.000 2.288 25 A HA 0.973 5.292 4.320 -0.001 0.000 0.320 25 A C -0.829 176.897 177.584 0.236 0.000 1.217 25 A CA -0.384 51.786 52.037 0.223 0.000 0.840 25 A CB 0.933 20.083 19.000 0.249 0.000 1.179 25 A HN 1.177 nan 8.150 nan 0.000 0.504 26 L N 0.249 121.643 121.223 0.286 0.000 2.376 26 L HA 1.085 5.424 4.340 -0.001 0.000 0.258 26 L C -0.115 176.948 176.870 0.322 0.000 1.013 26 L CA -0.263 54.734 54.840 0.262 0.000 0.822 26 L CB 1.748 43.912 42.059 0.175 0.000 1.388 26 L HN 1.057 nan 8.230 nan 0.000 0.413 27 G N -0.500 108.455 108.800 0.259 0.000 2.623 27 G HA2 0.538 4.497 3.960 -0.001 0.000 0.290 27 G HA3 0.538 4.497 3.960 -0.001 0.000 0.290 27 G C -2.371 172.572 174.900 0.072 0.000 1.437 27 G CA -0.655 44.532 45.100 0.146 0.000 0.798 27 G HN 0.541 nan 8.290 nan 0.000 0.488 28 Y N -0.194 120.132 120.300 0.045 0.000 2.331 28 Y HA 0.624 5.173 4.550 -0.001 0.000 0.338 28 Y C -0.553 175.372 175.900 0.042 0.000 0.976 28 Y CA -0.372 57.839 58.100 0.185 0.000 1.137 28 Y CB 1.695 40.272 38.460 0.194 0.000 1.172 28 Y HN 0.292 nan 8.280 nan 0.000 0.478 29 F N 2.710 122.757 119.950 0.162 0.000 2.426 29 F HA 0.547 5.073 4.527 -0.001 0.000 0.348 29 F C -0.501 175.318 175.800 0.031 0.000 1.124 29 F CA -1.303 56.733 58.000 0.060 0.000 1.008 29 F CB 1.229 40.225 39.000 -0.006 0.000 1.139 29 F HN 0.056 nan 8.300 nan 0.000 0.452 30 V N 3.357 123.313 119.914 0.069 0.000 2.398 30 V HA 0.274 4.393 4.120 -0.001 0.000 0.286 30 V C 0.295 176.338 176.094 -0.085 0.000 1.026 30 V CA -1.304 60.936 62.300 -0.100 0.000 0.868 30 V CB 1.607 33.172 31.823 -0.430 0.000 0.982 30 V HN 0.636 nan 8.190 nan 0.000 0.443 31 K N 2.958 123.302 120.400 -0.093 0.000 2.449 31 K HA 0.265 4.584 4.320 -0.001 0.000 0.237 31 K C -0.135 176.383 176.600 -0.137 0.000 1.265 31 K CA 0.239 56.449 56.287 -0.129 0.000 1.193 31 K CB -0.166 32.260 32.500 -0.123 0.000 1.515 31 K HN 0.810 nan 8.250 nan 0.000 0.259 32 T N 0.110 114.601 114.554 -0.106 0.000 2.982 32 T HA 0.656 5.005 4.350 -0.001 0.000 0.321 32 T C -0.881 173.838 174.700 0.032 0.000 1.229 32 T CA -0.388 61.688 62.100 -0.041 0.000 1.044 32 T CB 1.541 70.383 68.868 -0.044 0.000 1.184 32 T HN 0.581 nan 8.240 nan 0.000 0.477 33 G N 0.923 109.759 108.800 0.060 0.000 2.650 33 G HA2 0.620 4.579 3.960 -0.001 0.000 0.310 33 G HA3 0.620 4.579 3.960 -0.001 0.000 0.310 33 G C 0.908 175.824 174.900 0.027 0.000 1.270 33 G CA 0.203 45.326 45.100 0.038 0.000 0.810 33 G HN 0.910 nan 8.290 nan 0.000 0.493 34 A N -0.113 122.682 122.820 -0.041 0.000 1.986 34 A HA -0.089 4.231 4.320 -0.001 0.000 0.220 34 A C 2.213 179.752 177.584 -0.074 0.000 1.171 34 A CA 2.363 54.356 52.037 -0.074 0.000 0.640 34 A CB -0.570 18.359 19.000 -0.118 0.000 0.811 34 A HN 0.823 nan 8.150 nan 0.000 0.451 35 R N -0.854 119.594 120.500 -0.087 0.000 2.316 35 R HA -0.019 4.321 4.340 -0.001 0.000 0.202 35 R C 0.026 176.259 176.300 -0.113 0.000 1.029 35 R CA 1.459 57.486 56.100 -0.122 0.000 1.018 35 R CB -0.265 29.951 30.300 -0.141 0.000 0.888 35 R HN 0.355 nan 8.270 nan 0.000 0.471 36 D N 0.814 121.186 120.400 -0.046 0.000 2.398 36 D HA 0.052 4.691 4.640 -0.001 0.000 0.210 36 D C -0.410 175.947 176.300 0.095 0.000 1.094 36 D CA 0.123 54.118 54.000 -0.007 0.000 0.839 36 D CB 0.450 41.256 40.800 0.009 0.000 0.963 36 D HN 0.418 nan 8.370 nan 0.000 0.506 37 E N 1.323 121.562 120.200 0.064 0.000 2.301 37 E HA 0.205 4.554 4.350 -0.001 0.000 0.275 37 E C 0.484 177.085 176.600 0.002 0.000 1.030 37 E CA -0.326 56.102 56.400 0.047 0.000 0.852 37 E CB 1.181 30.837 29.700 -0.072 0.000 1.060 37 E HN -0.006 nan 8.360 nan 0.000 0.401 38 T N -0.653 113.910 114.554 0.014 0.000 2.860 38 T HA 0.064 4.413 4.350 -0.001 0.000 0.299 38 T C 1.062 175.748 174.700 -0.023 0.000 1.045 38 T CA -0.613 61.483 62.100 -0.005 0.000 1.071 38 T CB 1.238 70.111 68.868 0.008 0.000 0.985 38 T HN 0.483 nan 8.240 nan 0.000 0.537 39 K N 0.431 120.818 120.400 -0.022 0.000 2.160 39 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 39 K C 1.873 178.462 176.600 -0.019 0.000 1.047 39 K CA 1.830 58.104 56.287 -0.022 0.000 0.930 39 K CB -0.096 32.395 32.500 -0.014 0.000 0.720 39 K HN 0.713 nan 8.250 nan 0.000 0.450 40 E N 0.141 120.333 120.200 -0.012 0.000 2.208 40 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 40 E C 1.073 177.666 176.600 -0.011 0.000 0.988 40 E CA 1.191 57.587 56.400 -0.006 0.000 0.828 40 E CB 0.123 29.824 29.700 0.001 0.000 0.763 40 E HN 0.493 nan 8.360 nan 0.000 0.478 41 E N 0.502 120.685 120.200 -0.029 0.000 2.465 41 E HA 0.109 4.458 4.350 -0.001 0.000 0.195 41 E C -0.020 176.520 176.600 -0.099 0.000 1.028 41 E CA -0.144 56.219 56.400 -0.061 0.000 0.899 41 E CB 0.351 30.002 29.700 -0.083 0.000 1.032 41 E HN -0.067 nan 8.360 nan 0.000 0.468 42 S N 0.756 116.414 115.700 -0.071 0.000 2.737 42 S HA 0.197 4.666 4.470 -0.001 0.000 0.315 42 S C 1.212 175.761 174.600 -0.085 0.000 1.236 42 S CA 1.170 59.320 58.200 -0.084 0.000 1.093 42 S CB -0.183 62.978 63.200 -0.065 0.000 0.832 42 S HN 0.712 nan 8.310 nan 0.000 0.507 43 G N 3.045 111.780 108.800 -0.108 0.000 2.175 43 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 43 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 43 G C 0.763 175.647 174.900 -0.027 0.000 0.982 43 G CA 0.244 45.301 45.100 -0.072 0.000 0.641 43 G HN 1.193 nan 8.290 nan 0.000 0.527 44 V N 1.025 120.849 119.914 -0.149 0.000 2.407 44 V HA -0.134 3.985 4.120 -0.001 0.000 0.248 44 V C 2.668 178.638 176.094 -0.206 0.000 1.055 44 V CA 3.365 65.530 62.300 -0.225 0.000 1.049 44 V CB -0.348 31.179 31.823 -0.494 0.000 0.662 44 V HN 0.524 nan 8.190 nan 0.000 0.455 45 S N -0.724 114.837 115.700 -0.232 0.000 2.368 45 S HA -0.234 4.236 4.470 -0.001 0.000 0.225 45 S C 1.906 176.600 174.600 0.157 0.000 1.030 45 S CA 1.636 59.872 58.200 0.060 0.000 0.999 45 S CB -0.577 62.698 63.200 0.125 0.000 0.844 45 S HN 0.879 nan 8.310 nan 0.000 0.459 46 H N 0.262 119.339 119.070 0.010 0.000 2.403 46 H HA 0.080 4.635 4.556 -0.001 0.000 0.298 46 H C 1.924 177.290 175.328 0.062 0.000 1.059 46 H CA 0.971 57.026 56.048 0.012 0.000 1.363 46 H CB -0.376 29.323 29.762 -0.105 0.000 1.410 46 H HN 0.506 nan 8.280 nan 0.000 0.528 47 F N 0.620 120.439 119.950 -0.219 0.000 2.134 47 F HA -0.222 4.304 4.527 -0.002 0.000 0.299 47 F C 2.448 178.197 175.800 -0.086 0.000 1.097 47 F CA 0.506 58.352 58.000 -0.257 0.000 1.264 47 F CB 0.028 38.925 39.000 -0.170 0.000 1.001 47 F HN 0.202 nan 8.300 nan 0.000 0.479 48 L N 1.299 122.595 121.223 0.121 0.000 2.042 48 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 48 L C 2.357 179.373 176.870 0.244 0.000 1.076 48 L CA 1.982 56.875 54.840 0.089 0.000 0.749 48 L CB -1.223 40.893 42.059 0.096 0.000 0.893 48 L HN 0.260 nan 8.230 nan 0.000 0.432 49 E N -0.843 119.556 120.200 0.333 0.000 2.070 49 E HA -0.230 4.119 4.350 -0.001 0.000 0.197 49 E C 0.685 177.640 176.600 0.592 0.000 1.004 49 E CA 1.074 57.774 56.400 0.500 0.000 0.805 49 E CB -0.277 29.615 29.700 0.320 0.000 0.744 49 E HN 0.668 nan 8.360 nan 0.000 0.451 53 F N 1.009 121.062 119.950 0.171 0.000 2.780 53 F HA 0.180 4.706 4.527 -0.002 0.000 0.299 53 F C 2.038 177.911 175.800 0.122 0.000 1.146 53 F CA 0.673 58.781 58.000 0.180 0.000 1.428 53 F CB 0.132 39.256 39.000 0.208 0.000 1.115 53 F HN 0.038 nan 8.300 nan 0.000 0.583 54 K N 0.427 120.952 120.400 0.208 0.000 2.365 54 K HA 0.266 4.585 4.320 -0.001 0.000 0.197 54 K C 1.018 177.659 176.600 0.068 0.000 1.042 54 K CA 0.824 57.194 56.287 0.138 0.000 0.987 54 K CB -0.538 32.040 32.500 0.130 0.000 0.779 54 K HN 0.289 nan 8.250 nan 0.000 0.484 55 G N 2.062 110.874 108.800 0.021 0.000 2.629 55 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.686 55 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.686 55 G C -2.974 171.887 174.900 -0.065 0.000 1.232 55 G CA -0.883 44.199 45.100 -0.030 0.000 0.803 55 G HN -0.124 nan 8.290 nan 0.000 0.638 56 P HA 0.310 nan 4.420 nan 0.000 0.293 56 P C 0.881 178.140 177.300 -0.067 0.000 1.298 56 P CA -0.073 62.973 63.100 -0.090 0.000 0.757 56 P CB 0.688 32.336 31.700 -0.088 0.000 1.262 57 E N -0.263 119.897 120.200 -0.066 0.000 2.097 57 E HA -0.175 4.175 4.350 -0.001 0.000 0.196 57 E C 0.540 177.115 176.600 -0.041 0.000 1.000 57 E CA 1.555 57.923 56.400 -0.053 0.000 0.804 57 E CB -0.642 29.028 29.700 -0.050 0.000 0.740 57 E HN 0.535 nan 8.360 nan 0.000 0.454 61 A N 1.119 123.976 122.820 0.061 0.000 1.883 61 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 61 A C 2.154 179.792 177.584 0.091 0.000 1.186 61 A CA 1.713 53.807 52.037 0.095 0.000 0.624 61 A CB -0.523 18.536 19.000 0.098 0.000 0.822 61 A HN 0.421 nan 8.150 nan 0.000 0.444 62 L N -0.530 120.730 121.223 0.062 0.000 2.093 62 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 62 L C 2.933 179.827 176.870 0.041 0.000 1.085 62 L CA 1.811 56.683 54.840 0.053 0.000 0.755 62 L CB -0.839 41.241 42.059 0.036 0.000 0.904 62 L HN 0.391 nan 8.230 nan 0.000 0.435 63 A N -1.248 121.585 122.820 0.023 0.000 2.015 63 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 63 A C 2.340 179.911 177.584 -0.022 0.000 1.163 63 A CA 1.455 53.489 52.037 -0.005 0.000 0.646 63 A CB -0.663 18.326 19.000 -0.018 0.000 0.806 63 A HN 0.206 nan 8.150 nan 0.000 0.448 64 V N 0.828 120.751 119.914 0.014 0.000 2.270 64 V HA -0.239 3.880 4.120 -0.001 0.000 0.245 64 V C 2.285 178.450 176.094 0.118 0.000 1.043 64 V CA 2.059 64.372 62.300 0.021 0.000 1.014 64 V CB -1.032 30.870 31.823 0.132 0.000 0.645 64 V HN 0.522 nan 8.190 nan 0.000 0.447 65 N N 0.699 119.509 118.700 0.184 0.000 2.037 65 N HA -0.206 4.533 4.740 -0.001 0.000 0.196 65 N C 1.929 177.518 175.510 0.131 0.000 1.034 65 N CA 1.747 54.924 53.050 0.211 0.000 0.861 65 N CB -0.434 38.145 38.487 0.153 0.000 1.039 65 N HN 0.470 nan 8.380 nan 0.000 0.427 66 R N 0.360 120.891 120.500 0.052 0.000 2.115 66 R HA 0.073 4.412 4.340 -0.001 0.000 0.230 66 R C 2.187 178.462 176.300 -0.043 0.000 1.111 66 R CA 1.128 57.234 56.100 0.009 0.000 0.976 66 R CB -0.295 30.003 30.300 -0.003 0.000 0.870 66 R HN 0.222 nan 8.270 nan 0.000 0.445 67 A N 0.708 123.463 122.820 -0.109 0.000 1.902 67 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 67 A C 1.923 179.329 177.584 -0.297 0.000 1.181 67 A CA 1.122 53.021 52.037 -0.230 0.000 0.623 67 A CB -0.622 18.172 19.000 -0.343 0.000 0.818 67 A HN 0.222 nan 8.150 nan 0.000 0.443 68 F N 0.506 120.308 119.950 -0.245 0.000 2.134 68 F HA -0.186 4.340 4.527 -0.002 0.000 0.299 68 F C 2.158 177.853 175.800 -0.176 0.000 1.097 68 F CA 1.412 59.226 58.000 -0.309 0.000 1.264 68 F CB -0.162 38.492 39.000 -0.575 0.000 1.001 68 F HN 0.197 nan 8.300 nan 0.000 0.479 69 D N -0.095 120.350 120.400 0.075 0.000 2.144 69 D HA -0.080 4.559 4.640 -0.001 0.000 0.199 69 D C 1.329 177.589 176.300 -0.066 0.000 0.984 69 D CA 0.869 54.884 54.000 0.025 0.000 0.834 69 D CB -0.290 40.533 40.800 0.039 0.000 0.955 69 D HN 0.136 nan 8.370 nan 0.000 0.465 73 A N 0.428 123.262 122.820 0.023 0.000 2.450 73 A HA 0.618 4.937 4.320 -0.001 0.000 0.255 73 A C 0.434 178.138 177.584 0.201 0.000 1.096 73 A CA 0.096 52.217 52.037 0.140 0.000 0.778 73 A CB 0.538 19.686 19.000 0.246 0.000 1.031 73 A HN 0.424 nan 8.150 nan 0.000 0.494 74 Q N 1.337 121.228 119.800 0.152 0.000 2.267 74 Q HA 0.551 4.890 4.340 -0.001 0.000 0.255 74 Q C -1.278 174.810 176.000 0.147 0.000 0.923 74 Q CA -0.252 55.604 55.803 0.087 0.000 0.925 74 Q CB 0.589 29.346 28.738 0.031 0.000 1.195 74 Q HN 0.793 nan 8.270 nan 0.000 0.417 75 Y N 0.905 121.094 120.300 -0.186 0.000 2.609 75 Y HA 0.660 5.209 4.550 -0.002 0.000 0.336 75 Y C -1.572 174.133 175.900 -0.325 0.000 1.129 75 Y CA -1.063 56.900 58.100 -0.228 0.000 1.040 75 Y CB 1.539 39.783 38.460 -0.360 0.000 1.310 75 Y HN 0.723 nan 8.280 nan 0.000 0.460 76 N N 0.489 119.022 118.700 -0.278 0.000 3.116 76 N HA 0.746 5.485 4.740 -0.001 0.000 0.244 76 N C -2.121 173.390 175.510 0.002 0.000 1.485 76 N CA -0.584 52.264 53.050 -0.336 0.000 0.884 76 N CB 2.234 40.470 38.487 -0.419 0.000 1.415 76 N HN 1.134 nan 8.380 nan 0.000 0.524 77 A N 0.634 123.529 122.820 0.125 0.000 2.515 77 A HA 0.815 5.134 4.320 -0.001 0.000 0.296 77 A C -1.985 175.805 177.584 0.343 0.000 1.094 77 A CA -0.436 51.788 52.037 0.311 0.000 0.718 77 A CB 1.308 20.574 19.000 0.443 0.000 1.307 77 A HN 0.545 nan 8.150 nan 0.000 0.408 78 F N 0.494 120.519 119.950 0.124 0.000 2.588 78 F HA 0.653 5.179 4.527 -0.001 0.000 0.314 78 F C -0.842 175.019 175.800 0.102 0.000 1.134 78 F CA 0.052 58.146 58.000 0.156 0.000 0.961 78 F CB 2.201 41.360 39.000 0.265 0.000 1.239 78 F HN 0.526 nan 8.300 nan 0.000 0.448 79 T N 4.145 118.312 114.554 -0.646 0.000 2.848 79 T HA 0.607 4.956 4.350 -0.001 0.000 0.285 79 T C -0.630 173.577 174.700 -0.823 0.000 0.995 79 T CA -0.600 61.182 62.100 -0.530 0.000 0.970 79 T CB 1.582 70.413 68.868 -0.062 0.000 0.976 79 T HN 0.738 nan 8.240 nan 0.000 0.441 80 S N 1.904 117.261 115.700 -0.572 0.000 2.874 80 S HA 0.519 4.989 4.470 -0.001 0.000 0.318 80 S C 0.703 175.220 174.600 -0.138 0.000 1.109 80 S CA -0.758 57.251 58.200 -0.319 0.000 0.878 80 S CB 0.911 64.078 63.200 -0.054 0.000 1.307 80 S HN 0.428 nan 8.310 nan 0.000 0.592 81 E N 0.708 120.862 120.200 -0.075 0.000 2.265 81 E HA -0.013 4.336 4.350 -0.001 0.000 0.196 81 E C 0.913 177.483 176.600 -0.049 0.000 0.996 81 E CA 1.482 57.840 56.400 -0.070 0.000 0.832 81 E CB -0.093 29.567 29.700 -0.066 0.000 0.756 81 E HN 0.721 nan 8.360 nan 0.000 0.491 82 E N -1.655 118.534 120.200 -0.017 0.000 2.665 82 E HA 0.424 4.773 4.350 -0.001 0.000 0.225 82 E C -0.425 176.112 176.600 -0.104 0.000 0.922 82 E CA 0.098 56.453 56.400 -0.075 0.000 1.242 82 E CB 1.502 31.155 29.700 -0.078 0.000 1.197 82 E HN 0.085 nan 8.360 nan 0.000 0.581 83 A N 1.104 123.917 122.820 -0.012 0.000 2.594 83 A HA 0.548 4.868 4.320 -0.001 0.000 0.296 83 A C -0.915 176.683 177.584 0.022 0.000 1.061 83 A CA -0.530 51.517 52.037 0.017 0.000 0.689 83 A CB 1.878 20.949 19.000 0.119 0.000 1.280 83 A HN -0.048 nan 8.150 nan 0.000 0.406 84 T N 0.190 114.740 114.554 -0.007 0.000 2.861 84 T HA 0.689 5.039 4.350 -0.001 0.000 0.287 84 T C -1.262 173.331 174.700 -0.179 0.000 1.003 84 T CA -0.425 61.636 62.100 -0.066 0.000 0.977 84 T CB 1.057 69.923 68.868 -0.004 0.000 0.996 84 T HN 1.267 nan 8.240 nan 0.000 0.448 85 V N 5.121 124.863 119.914 -0.287 0.000 2.709 85 V HA 0.550 4.670 4.120 -0.001 0.000 0.308 85 V C -1.544 174.299 176.094 -0.418 0.000 1.062 85 V CA -0.962 61.095 62.300 -0.405 0.000 0.901 85 V CB 1.769 33.303 31.823 -0.481 0.000 1.003 85 V HN 0.948 nan 8.190 nan 0.000 0.425 86 Y N 5.013 125.298 120.300 -0.026 0.000 2.326 86 Y HA 0.742 5.291 4.550 -0.001 0.000 0.329 86 Y C -0.297 175.389 175.900 -0.356 0.000 0.973 86 Y CA -0.735 57.326 58.100 -0.065 0.000 1.162 86 Y CB 1.577 39.895 38.460 -0.237 0.000 1.147 86 Y HN 0.749 nan 8.280 nan 0.000 0.456 87 Y N 0.185 120.373 120.300 -0.187 0.000 2.638 87 Y HA 1.014 5.563 4.550 -0.001 0.000 0.335 87 Y C -0.422 175.740 175.900 0.436 0.000 1.155 87 Y CA -1.551 56.555 58.100 0.011 0.000 1.046 87 Y CB 1.936 40.419 38.460 0.038 0.000 1.303 87 Y HN 0.707 nan 8.280 nan 0.000 0.460 88 G N 0.076 109.166 108.800 0.484 0.000 2.559 88 G HA2 0.708 4.667 3.960 -0.001 0.000 0.291 88 G HA3 0.708 4.667 3.960 -0.001 0.000 0.291 88 G C -2.264 172.840 174.900 0.341 0.000 1.424 88 G CA -0.528 44.816 45.100 0.407 0.000 0.786 88 G HN 1.306 nan 8.290 nan 0.000 0.485 89 A N -0.886 122.087 122.820 0.254 0.000 2.449 89 A HA 1.001 5.320 4.320 -0.001 0.000 0.302 89 A C -0.381 177.309 177.584 0.177 0.000 1.048 89 A CA -0.151 52.009 52.037 0.206 0.000 0.708 89 A CB 1.771 20.870 19.000 0.166 0.000 1.274 89 A HN 2.305 nan 8.150 nan 0.000 0.410 90 V N -0.479 119.536 119.914 0.167 0.000 3.206 90 V HA 0.700 4.820 4.120 -0.001 0.000 0.305 90 V C -0.364 175.838 176.094 0.180 0.000 1.257 90 V CA -1.160 61.241 62.300 0.168 0.000 1.057 90 V CB 1.047 32.991 31.823 0.201 0.000 1.075 90 V HN 0.883 nan 8.190 nan 0.000 0.443 91 L N 1.555 122.921 121.223 0.238 0.000 2.483 91 L HA 0.213 4.552 4.340 -0.001 0.000 0.276 91 L C -1.385 175.576 176.870 0.153 0.000 1.213 91 L CA -0.893 54.070 54.840 0.206 0.000 0.843 91 L CB 0.436 42.652 42.059 0.262 0.000 1.107 91 L HN 0.520 nan 8.230 nan 0.000 0.487 92 P HA -0.213 nan 4.420 nan 0.000 0.216 92 P C 1.101 178.366 177.300 -0.059 0.000 1.150 92 P CA 1.119 64.221 63.100 0.003 0.000 0.843 92 P CB 0.005 31.709 31.700 0.006 0.000 0.787 93 E N -0.839 119.293 120.200 -0.113 0.000 2.472 93 E HA -0.130 4.219 4.350 -0.001 0.000 0.200 93 E C 0.671 177.053 176.600 -0.363 0.000 1.046 93 E CA 0.979 57.231 56.400 -0.247 0.000 0.871 93 E CB -0.883 28.602 29.700 -0.359 0.000 0.806 93 E HN 0.297 nan 8.360 nan 0.000 0.533 94 F N 0.613 120.557 119.950 -0.011 0.000 2.641 94 F HA 0.432 4.958 4.527 -0.002 0.000 0.302 94 F C 2.105 177.865 175.800 -0.067 0.000 1.098 94 F CA 0.010 58.003 58.000 -0.011 0.000 1.318 94 F CB 0.336 39.341 39.000 0.009 0.000 1.035 94 F HN 0.060 nan 8.300 nan 0.000 0.551 95 A N -0.693 122.069 122.820 -0.097 0.000 1.969 95 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 95 A C 1.548 178.932 177.584 -0.333 0.000 1.169 95 A CA 1.588 53.458 52.037 -0.279 0.000 0.635 95 A CB -0.852 17.830 19.000 -0.531 0.000 0.810 95 A HN 0.438 nan 8.150 nan 0.000 0.445 96 Y N 0.063 120.414 120.300 0.085 0.000 2.490 96 Y HA -0.003 4.546 4.550 -0.002 0.000 0.285 96 Y C 1.910 177.854 175.900 0.073 0.000 1.117 96 Y CA 0.416 58.553 58.100 0.062 0.000 1.262 96 Y CB -0.302 38.170 38.460 0.020 0.000 1.043 96 Y HN 0.234 nan 8.280 nan 0.000 0.553 97 D N 0.168 120.676 120.400 0.180 0.000 2.097 97 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 97 D C 2.160 178.493 176.300 0.054 0.000 0.984 97 D CA 0.984 55.060 54.000 0.126 0.000 0.826 97 D CB -0.437 40.479 40.800 0.194 0.000 0.973 97 D HN 0.232 nan 8.370 nan 0.000 0.460 98 L N 0.532 121.805 121.223 0.083 0.000 2.017 98 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 98 L C 2.122 179.113 176.870 0.201 0.000 1.073 98 L CA 1.219 56.105 54.840 0.077 0.000 0.745 98 L CB -0.740 41.429 42.059 0.183 0.000 0.894 98 L HN -0.002 nan 8.230 nan 0.000 0.432 99 L N -0.095 121.277 121.223 0.248 0.000 2.013 99 L HA -0.113 4.226 4.340 -0.001 0.000 0.212 99 L C 2.312 179.373 176.870 0.318 0.000 1.073 99 L CA 2.291 57.337 54.840 0.342 0.000 0.753 99 L CB -1.453 40.749 42.059 0.239 0.000 0.890 99 L HN 0.343 nan 8.230 nan 0.000 0.432 100 G N -0.799 108.107 108.800 0.178 0.000 2.404 100 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.215 100 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.215 100 G C 1.560 176.478 174.900 0.030 0.000 1.174 100 G CA 0.844 46.004 45.100 0.100 0.000 0.780 100 G HN 0.408 nan 8.290 nan 0.000 0.537 101 L N -0.003 121.176 121.223 -0.074 0.000 1.989 101 L HA 0.063 4.402 4.340 -0.001 0.000 0.211 101 L C 2.612 179.363 176.870 -0.199 0.000 1.071 101 L CA 1.653 56.335 54.840 -0.262 0.000 0.749 101 L CB -0.872 40.841 42.059 -0.577 0.000 0.890 101 L HN 0.269 nan 8.230 nan 0.000 0.431 102 F N -0.398 119.550 119.950 -0.002 0.000 2.095 102 F HA -0.275 4.251 4.527 -0.001 0.000 0.298 102 F C 2.501 178.199 175.800 -0.171 0.000 1.104 102 F CA 1.156 59.161 58.000 0.008 0.000 1.232 102 F CB -0.641 38.538 39.000 0.298 0.000 0.987 102 F HN 0.261 nan 8.300 nan 0.000 0.475 103 A N 0.188 123.068 122.820 0.100 0.000 1.873 103 A HA -0.301 4.018 4.320 -0.001 0.000 0.218 103 A C 2.030 179.685 177.584 0.119 0.000 1.193 103 A CA 2.234 54.324 52.037 0.088 0.000 0.629 103 A CB -0.716 18.374 19.000 0.151 0.000 0.826 103 A HN 0.257 nan 8.150 nan 0.000 0.447 104 K N -0.111 120.316 120.400 0.044 0.000 2.032 104 K HA -0.039 4.280 4.320 -0.001 0.000 0.209 104 K C 1.780 178.339 176.600 -0.068 0.000 1.048 104 K CA 1.422 57.706 56.287 -0.005 0.000 0.927 104 K CB -0.524 31.945 32.500 -0.052 0.000 0.712 104 K HN 0.527 nan 8.250 nan 0.000 0.441 105 L N 0.305 121.460 121.223 -0.113 0.000 2.127 105 L HA -0.162 4.177 4.340 -0.001 0.000 0.211 105 L C 1.735 178.463 176.870 -0.236 0.000 1.089 105 L CA 0.890 55.620 54.840 -0.183 0.000 0.757 105 L CB -0.451 41.479 42.059 -0.215 0.000 0.899 105 L HN 0.176 nan 8.230 nan 0.000 0.434 106 L N -0.196 120.899 121.223 -0.214 0.000 2.675 106 L HA -0.056 4.283 4.340 -0.001 0.000 0.238 106 L C 0.964 177.708 176.870 -0.210 0.000 1.155 106 L CA 0.136 54.829 54.840 -0.245 0.000 0.881 106 L CB -0.232 41.663 42.059 -0.274 0.000 1.008 106 L HN 0.104 nan 8.230 nan 0.000 0.443 107 R N 1.194 121.568 120.500 -0.211 0.000 2.724 107 R HA 0.282 4.621 4.340 -0.001 0.000 0.284 107 R C -2.507 173.631 176.300 -0.270 0.000 1.481 107 R CA -2.060 53.894 56.100 -0.243 0.000 1.652 107 R CB 0.371 30.592 30.300 -0.132 0.000 1.175 107 R HN -0.150 nan 8.270 nan 0.000 0.613 108 P HA 0.064 nan 4.420 nan 0.000 0.271 108 P C -0.014 177.146 177.300 -0.234 0.000 1.218 108 P CA 0.056 62.991 63.100 -0.275 0.000 0.780 108 P CB 1.520 33.040 31.700 -0.299 0.000 0.901 109 A N 3.302 126.030 122.820 -0.153 0.000 2.016 109 A HA 0.011 4.331 4.320 -0.001 0.000 0.217 109 A C 1.249 178.754 177.584 -0.132 0.000 1.162 109 A CA 0.358 52.320 52.037 -0.125 0.000 0.662 109 A CB -1.116 17.836 19.000 -0.080 0.000 0.812 109 A HN 0.643 nan 8.150 nan 0.000 0.450 110 L N -0.537 120.614 121.223 -0.120 0.000 3.762 110 L HA -0.231 4.108 4.340 -0.001 0.000 0.460 110 L C 0.038 176.854 176.870 -0.090 0.000 1.255 110 L CA -0.188 54.588 54.840 -0.107 0.000 0.783 110 L CB -1.695 40.236 42.059 -0.212 0.000 1.600 110 L HN 0.449 nan 8.230 nan 0.000 0.862 111 R N 0.888 121.372 120.500 -0.027 0.000 2.623 111 R HA 0.006 4.345 4.340 -0.001 0.000 0.271 111 R C 1.511 177.831 176.300 0.034 0.000 1.043 111 R CA -0.404 55.690 56.100 -0.010 0.000 1.083 111 R CB 0.571 30.878 30.300 0.013 0.000 0.974 111 R HN 0.245 nan 8.270 nan 0.000 0.436 112 E N 2.246 122.452 120.200 0.009 0.000 2.097 112 E HA -0.287 4.062 4.350 -0.001 0.000 0.196 112 E C 1.609 178.294 176.600 0.142 0.000 1.000 112 E CA 1.917 58.351 56.400 0.057 0.000 0.804 112 E CB 0.179 29.890 29.700 0.019 0.000 0.740 112 E HN 0.565 nan 8.360 nan 0.000 0.454 113 E N 1.032 121.290 120.200 0.097 0.000 2.028 113 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 113 E C 1.666 178.339 176.600 0.121 0.000 0.988 113 E CA 1.718 58.175 56.400 0.094 0.000 0.799 113 E CB -0.145 29.591 29.700 0.060 0.000 0.755 113 E HN 0.073 nan 8.360 nan 0.000 0.447 114 D N -0.311 120.164 120.400 0.124 0.000 2.133 114 D HA -0.196 4.443 4.640 -0.001 0.000 0.195 114 D C 1.674 178.104 176.300 0.217 0.000 0.997 114 D CA 1.126 55.214 54.000 0.146 0.000 0.840 114 D CB -0.434 40.443 40.800 0.129 0.000 0.947 114 D HN 0.267 nan 8.370 nan 0.000 0.452 115 F N 1.179 121.178 119.950 0.082 0.000 2.163 115 F HA -0.132 4.394 4.527 -0.001 0.000 0.297 115 F C 2.298 178.220 175.800 0.203 0.000 1.094 115 F CA 1.013 59.093 58.000 0.133 0.000 1.290 115 F CB 0.114 39.129 39.000 0.024 0.000 1.017 115 F HN -0.188 nan 8.300 nan 0.000 0.483 116 Q N -0.182 119.762 119.800 0.240 0.000 2.123 116 Q HA -0.119 4.220 4.340 -0.001 0.000 0.199 116 Q C 2.410 178.429 176.000 0.032 0.000 0.966 116 Q CA 2.084 57.958 55.803 0.120 0.000 0.845 116 Q CB -1.100 27.719 28.738 0.135 0.000 0.907 116 Q HN 0.574 nan 8.270 nan 0.000 0.439 117 T N -1.975 112.610 114.554 0.053 0.000 2.896 117 T HA -0.076 4.273 4.350 -0.001 0.000 0.263 117 T C 1.736 176.432 174.700 -0.006 0.000 1.050 117 T CA 1.249 63.364 62.100 0.024 0.000 1.140 117 T CB 0.001 68.895 68.868 0.044 0.000 0.877 117 T HN 0.014 nan 8.240 nan 0.000 0.457 118 E N 1.580 121.793 120.200 0.021 0.000 2.208 118 E HA 0.020 4.369 4.350 -0.001 0.000 0.193 118 E C 2.126 178.562 176.600 -0.274 0.000 0.988 118 E CA 0.887 57.286 56.400 -0.001 0.000 0.828 118 E CB -0.280 29.536 29.700 0.193 0.000 0.763 118 E HN 0.657 nan 8.360 nan 0.000 0.478 119 K N -0.038 120.158 120.400 -0.340 0.000 2.057 119 K HA -0.119 4.200 4.320 -0.001 0.000 0.207 119 K C 1.964 178.346 176.600 -0.362 0.000 1.049 119 K CA 1.340 57.285 56.287 -0.571 0.000 0.931 119 K CB -0.158 32.138 32.500 -0.341 0.000 0.714 119 K HN 0.183 nan 8.250 nan 0.000 0.440 120 L N 0.496 121.603 121.223 -0.194 0.000 2.083 120 L HA -0.167 4.172 4.340 -0.001 0.000 0.209 120 L C 2.354 179.152 176.870 -0.119 0.000 1.083 120 L CA 0.676 55.441 54.840 -0.124 0.000 0.752 120 L CB -0.412 41.609 42.059 -0.064 0.000 0.899 120 L HN 0.037 nan 8.230 nan 0.000 0.433 121 V N 0.307 120.150 119.914 -0.118 0.000 2.343 121 V HA -0.295 3.824 4.120 -0.001 0.000 0.247 121 V C 2.329 178.353 176.094 -0.116 0.000 1.051 121 V CA 1.920 64.177 62.300 -0.072 0.000 1.036 121 V CB -0.281 31.541 31.823 -0.001 0.000 0.654 121 V HN 0.306 nan 8.190 nan 0.000 0.451 122 I N -0.609 119.800 120.570 -0.267 0.000 2.252 122 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 122 I C 2.267 178.257 176.117 -0.212 0.000 1.102 122 I CA 1.446 62.559 61.300 -0.312 0.000 1.385 122 I CB -0.276 37.358 38.000 -0.610 0.000 1.064 122 I HN 0.239 nan 8.210 nan 0.000 0.414 123 L N 0.215 121.315 121.223 -0.205 0.000 2.083 123 L HA -0.228 4.111 4.340 -0.001 0.000 0.209 123 L C 2.561 179.387 176.870 -0.073 0.000 1.083 123 L CA 1.308 56.071 54.840 -0.128 0.000 0.752 123 L CB -0.579 41.414 42.059 -0.111 0.000 0.899 123 L HN 0.239 nan 8.230 nan 0.000 0.433 124 E N 0.639 120.801 120.200 -0.063 0.000 2.150 124 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 124 E C 1.941 178.536 176.600 -0.008 0.000 0.985 124 E CA 1.304 57.687 56.400 -0.028 0.000 0.814 124 E CB 0.051 29.737 29.700 -0.023 0.000 0.752 124 E HN 0.448 nan 8.360 nan 0.000 0.466 125 E N -0.078 120.114 120.200 -0.014 0.000 2.072 125 E HA -0.122 4.227 4.350 -0.001 0.000 0.190 125 E C 2.225 178.845 176.600 0.032 0.000 0.982 125 E CA 1.096 57.508 56.400 0.020 0.000 0.803 125 E CB -0.157 29.555 29.700 0.020 0.000 0.755 125 E HN 0.348 nan 8.360 nan 0.000 0.453 126 I N 1.487 122.043 120.570 -0.024 0.000 2.118 126 I HA -0.328 3.841 4.170 -0.001 0.000 0.241 126 I C 2.605 178.760 176.117 0.063 0.000 1.070 126 I CA 1.247 62.539 61.300 -0.012 0.000 1.327 126 I CB -0.351 37.611 38.000 -0.063 0.000 1.034 126 I HN 0.091 nan 8.210 nan 0.000 0.405 127 A N 0.411 123.252 122.820 0.035 0.000 1.940 127 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 127 A C 2.361 179.974 177.584 0.049 0.000 1.176 127 A CA 1.776 53.839 52.037 0.042 0.000 0.631 127 A CB -0.581 18.430 19.000 0.018 0.000 0.814 127 A HN 0.307 nan 8.150 nan 0.000 0.446 128 R N -2.436 118.093 120.500 0.049 0.000 2.075 128 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 128 R C 2.076 178.403 176.300 0.045 0.000 1.126 128 R CA 1.528 57.647 56.100 0.032 0.000 0.963 128 R CB -0.492 29.828 30.300 0.033 0.000 0.858 128 R HN 0.676 nan 8.270 nan 0.000 0.435 129 Y N 1.415 121.721 120.300 0.010 0.000 2.128 129 Y HA -0.273 4.276 4.550 -0.002 0.000 0.284 129 Y C 1.938 177.849 175.900 0.017 0.000 1.154 129 Y CA 1.823 59.969 58.100 0.077 0.000 1.149 129 Y CB 0.046 38.542 38.460 0.061 0.000 0.976 129 Y HN 0.091 nan 8.280 nan 0.000 0.505 130 Q N -0.461 119.451 119.800 0.186 0.000 2.436 130 Q HA -0.154 4.185 4.340 -0.001 0.000 0.209 130 Q C 1.288 177.332 176.000 0.073 0.000 0.965 130 Q CA 0.981 56.856 55.803 0.120 0.000 0.910 130 Q CB 0.032 28.864 28.738 0.157 0.000 0.980 130 Q HN 0.493 nan 8.270 nan 0.000 0.491 131 D N 0.507 120.898 120.400 -0.015 0.000 2.269 131 D HA -0.047 4.592 4.640 -0.001 0.000 0.208 131 D C 0.078 176.283 176.300 -0.159 0.000 0.963 131 D CA 0.743 54.703 54.000 -0.067 0.000 0.864 131 D CB 0.207 40.961 40.800 -0.077 0.000 0.936 131 D HN 0.138 nan 8.370 nan 0.000 0.505 132 R N 1.537 121.851 120.500 -0.309 0.000 2.230 132 R HA 0.169 4.509 4.340 -0.001 0.000 0.337 132 R C -1.685 174.354 176.300 -0.435 0.000 1.063 132 R CA -1.251 54.539 56.100 -0.517 0.000 0.935 132 R CB 1.082 30.724 30.300 -1.097 0.000 1.121 132 R HN 0.018 nan 8.270 nan 0.000 0.486 133 P HA -0.110 nan 4.420 nan 0.000 0.223 133 P C 1.262 178.218 177.300 -0.573 0.000 1.151 133 P CA 0.952 63.851 63.100 -0.335 0.000 0.787 133 P CB 0.291 31.849 31.700 -0.235 0.000 0.788 134 G N -0.695 107.691 108.800 -0.689 0.000 2.432 134 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.219 134 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.219 134 G C 0.793 175.832 174.900 0.231 0.000 1.135 134 G CA 0.041 45.119 45.100 -0.038 0.000 0.767 134 G HN 0.237 nan 8.290 nan 0.000 0.550 138 Y N 1.400 121.655 120.300 -0.075 0.000 2.070 138 Y HA -0.208 4.341 4.550 -0.002 0.000 0.280 138 Y C 2.486 178.304 175.900 -0.137 0.000 1.148 138 Y CA 2.627 60.671 58.100 -0.093 0.000 1.125 138 Y CB -0.289 38.105 38.460 -0.109 0.000 0.975 138 Y HN 0.637 nan 8.280 nan 0.000 0.492 139 E N -0.686 119.518 120.200 0.006 0.000 2.049 139 E HA -0.271 4.078 4.350 -0.001 0.000 0.198 139 E C 1.995 178.578 176.600 -0.028 0.000 1.007 139 E CA 2.052 58.419 56.400 -0.055 0.000 0.809 139 E CB -0.465 29.142 29.700 -0.155 0.000 0.749 139 E HN 0.452 nan 8.360 nan 0.000 0.450 140 W N 0.254 121.424 121.300 -0.217 0.000 2.363 140 W HA -0.009 4.650 4.660 -0.001 0.000 0.296 140 W C 2.483 178.605 176.519 -0.662 0.000 1.212 140 W CA 0.934 58.022 57.345 -0.428 0.000 1.260 140 W CB -1.220 27.910 29.460 -0.550 0.000 1.131 140 W HN 0.298 nan 8.180 nan 0.000 0.530 141 A N 0.785 123.296 122.820 -0.515 0.000 1.877 141 A HA -0.205 4.114 4.320 -0.001 0.000 0.216 141 A C 2.146 179.714 177.584 -0.027 0.000 1.186 141 A CA 1.912 53.749 52.037 -0.333 0.000 0.620 141 A CB -0.879 17.985 19.000 -0.227 0.000 0.822 141 A HN 0.252 nan 8.150 nan 0.000 0.443 142 R N -0.425 120.114 120.500 0.064 0.000 2.103 142 R HA -0.155 4.184 4.340 -0.001 0.000 0.242 142 R C 2.460 178.988 176.300 0.381 0.000 1.142 142 R CA 1.328 57.613 56.100 0.308 0.000 0.960 142 R CB -0.556 29.965 30.300 0.369 0.000 0.858 142 R HN 0.532 nan 8.270 nan 0.000 0.439 143 A N 1.145 124.097 122.820 0.221 0.000 1.883 143 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 143 A C 2.160 179.847 177.584 0.173 0.000 1.186 143 A CA 1.764 53.917 52.037 0.193 0.000 0.624 143 A CB -0.407 18.687 19.000 0.156 0.000 0.822 143 A HN 0.169 nan 8.150 nan 0.000 0.444 144 R N -1.227 119.362 120.500 0.150 0.000 2.062 144 R HA -0.034 4.305 4.340 -0.001 0.000 0.229 144 R C 1.853 178.211 176.300 0.097 0.000 1.128 144 R CA 1.772 57.952 56.100 0.132 0.000 0.960 144 R CB -0.913 29.499 30.300 0.186 0.000 0.855 144 R HN 0.469 nan 8.270 nan 0.000 0.432 145 F N -0.079 119.832 119.950 -0.065 0.000 2.069 145 F HA -0.177 4.349 4.527 -0.002 0.000 0.298 145 F C 1.511 177.163 175.800 -0.247 0.000 1.113 145 F CA 1.773 59.635 58.000 -0.230 0.000 1.214 145 F CB -0.345 38.436 39.000 -0.365 0.000 0.978 145 F HN 0.037 nan 8.300 nan 0.000 0.474 146 F N 0.224 120.228 119.950 0.090 0.000 2.407 146 F HA -0.069 4.457 4.527 -0.002 0.000 0.299 146 F C 1.249 177.026 175.800 -0.038 0.000 1.097 146 F CA 1.001 59.007 58.000 0.010 0.000 1.422 146 F CB -0.683 38.417 39.000 0.167 0.000 1.067 146 F HN 0.028 nan 8.300 nan 0.000 0.539 147 Q N 0.152 120.015 119.800 0.106 0.000 2.453 147 Q HA -0.235 4.104 4.340 -0.001 0.000 0.294 147 Q C 1.393 177.448 176.000 0.092 0.000 1.295 147 Q CA 1.020 56.852 55.803 0.047 0.000 0.853 147 Q CB -2.034 26.675 28.738 -0.048 0.000 1.193 147 Q HN 0.753 nan 8.270 nan 0.000 0.461 148 G N -0.622 108.256 108.800 0.131 0.000 2.176 148 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.253 148 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.253 148 G C -0.018 174.935 174.900 0.089 0.000 0.979 148 G CA 0.304 45.456 45.100 0.088 0.000 0.641 148 G HN 0.671 nan 8.290 nan 0.000 0.530 149 H N 2.231 121.345 119.070 0.073 0.000 2.964 149 H HA 0.175 4.730 4.556 -0.001 0.000 0.328 149 H C -0.709 174.574 175.328 -0.075 0.000 1.030 149 H CA -0.203 55.869 56.048 0.040 0.000 1.445 149 H CB 1.483 31.339 29.762 0.156 0.000 1.449 149 H HN 0.118 nan 8.280 nan 0.000 0.581 150 P HA -0.183 nan 4.420 nan 0.000 0.221 150 P C 1.668 178.842 177.300 -0.209 0.000 1.145 150 P CA 0.476 63.428 63.100 -0.247 0.000 0.795 150 P CB 0.210 31.732 31.700 -0.295 0.000 0.775 151 L N 0.058 121.206 121.223 -0.124 0.000 2.353 151 L HA 0.055 4.394 4.340 -0.001 0.000 0.220 151 L C 2.177 178.623 176.870 -0.706 0.000 1.133 151 L CA 1.675 56.340 54.840 -0.292 0.000 0.798 151 L CB -1.430 40.545 42.059 -0.140 0.000 0.922 151 L HN -0.053 nan 8.230 nan 0.000 0.445 152 G N -1.110 107.230 108.800 -0.767 0.000 2.744 152 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.211 152 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.211 152 G C 0.660 175.445 174.900 -0.193 0.000 1.143 152 G CA -0.245 44.559 45.100 -0.494 0.000 0.788 152 G HN 0.367 nan 8.290 nan 0.000 0.534 153 N N 0.835 119.423 118.700 -0.187 0.000 2.395 153 N HA 0.123 4.862 4.740 -0.001 0.000 0.246 153 N C 0.370 175.795 175.510 -0.141 0.000 1.246 153 N CA 0.123 53.095 53.050 -0.130 0.000 0.879 153 N CB 1.089 39.502 38.487 -0.122 0.000 1.098 153 N HN 0.092 nan 8.380 nan 0.000 0.444 154 S N 0.811 116.433 115.700 -0.131 0.000 2.528 154 S HA 0.154 4.623 4.470 -0.001 0.000 0.277 154 S C 1.317 175.797 174.600 -0.201 0.000 1.297 154 S CA -0.869 57.225 58.200 -0.176 0.000 1.052 154 S CB 0.398 63.500 63.200 -0.163 0.000 0.917 154 S HN 0.258 nan 8.310 nan 0.000 0.492 155 V N 6.183 125.941 119.914 -0.260 0.000 2.323 155 V HA -0.096 4.023 4.120 -0.001 0.000 0.244 155 V C 2.233 178.149 176.094 -0.297 0.000 1.041 155 V CA 1.662 63.802 62.300 -0.267 0.000 1.025 155 V CB -0.709 30.922 31.823 -0.321 0.000 0.656 155 V HN 0.875 nan 8.190 nan 0.000 0.451 156 L N -0.291 120.693 121.223 -0.397 0.000 2.217 156 L HA 0.267 4.606 4.340 -0.001 0.000 0.211 156 L C 1.300 178.038 176.870 -0.221 0.000 1.107 156 L CA 0.900 55.514 54.840 -0.376 0.000 0.783 156 L CB -0.766 41.017 42.059 -0.461 0.000 0.919 156 L HN 0.593 nan 8.230 nan 0.000 0.442 157 G N 0.055 108.735 108.800 -0.199 0.000 2.796 157 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.571 157 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.571 157 G C -0.087 174.741 174.900 -0.120 0.000 1.370 157 G CA -0.365 44.656 45.100 -0.131 0.000 0.856 157 G HN 0.256 nan 8.290 nan 0.000 0.538 158 T N -2.176 112.333 114.554 -0.075 0.000 2.927 158 T HA 0.627 4.976 4.350 -0.001 0.000 0.281 158 T C 1.488 176.160 174.700 -0.047 0.000 0.998 158 T CA 0.389 62.459 62.100 -0.050 0.000 1.019 158 T CB 2.007 70.864 68.868 -0.019 0.000 1.061 158 T HN 0.896 nan 8.240 nan 0.000 0.518 159 R N 0.207 120.688 120.500 -0.032 0.000 2.105 159 R HA -0.154 4.185 4.340 -0.001 0.000 0.239 159 R C 1.837 178.126 176.300 -0.018 0.000 1.135 159 R CA 1.828 57.909 56.100 -0.030 0.000 0.967 159 R CB -0.251 30.042 30.300 -0.012 0.000 0.861 159 R HN 0.762 nan 8.270 nan 0.000 0.442 160 E N -0.022 120.175 120.200 -0.005 0.000 2.028 160 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 160 E C 2.019 178.623 176.600 0.006 0.000 0.988 160 E CA 1.852 58.254 56.400 0.004 0.000 0.799 160 E CB -0.275 29.431 29.700 0.010 0.000 0.755 160 E HN 0.410 nan 8.360 nan 0.000 0.447 161 S N 0.628 116.327 115.700 -0.002 0.000 2.370 161 S HA -0.154 4.315 4.470 -0.001 0.000 0.226 161 S C 1.990 176.603 174.600 0.021 0.000 1.033 161 S CA 1.012 59.215 58.200 0.004 0.000 1.011 161 S CB -0.370 62.823 63.200 -0.013 0.000 0.852 161 S HN 0.090 nan 8.310 nan 0.000 0.457 162 I N 2.371 122.940 120.570 -0.001 0.000 2.202 162 I HA -0.107 4.062 4.170 -0.001 0.000 0.242 162 I C 2.669 178.803 176.117 0.027 0.000 1.091 162 I CA 1.555 62.857 61.300 0.003 0.000 1.368 162 I CB -2.082 35.853 38.000 -0.108 0.000 1.058 162 I HN 0.367 nan 8.210 nan 0.000 0.410 163 T N 1.461 116.017 114.554 0.005 0.000 2.720 163 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 163 T C 1.944 176.683 174.700 0.065 0.000 1.037 163 T CA 1.592 63.706 62.100 0.024 0.000 1.144 163 T CB -0.260 68.614 68.868 0.010 0.000 0.864 163 T HN 0.458 nan 8.240 nan 0.000 0.444 164 A N 0.534 123.390 122.820 0.060 0.000 2.066 164 A HA 0.201 4.520 4.320 -0.001 0.000 0.218 164 A C 1.027 178.671 177.584 0.100 0.000 1.157 164 A CA 0.199 52.276 52.037 0.067 0.000 0.670 164 A CB -0.492 18.534 19.000 0.043 0.000 0.804 164 A HN 0.405 nan 8.150 nan 0.000 0.453 165 L N 1.957 123.266 121.223 0.143 0.000 2.455 165 L HA 0.275 4.614 4.340 -0.001 0.000 0.272 165 L C 0.765 177.803 176.870 0.279 0.000 1.174 165 L CA 0.789 55.743 54.840 0.191 0.000 0.869 165 L CB 0.465 42.669 42.059 0.243 0.000 1.130 165 L HN 0.376 nan 8.230 nan 0.000 0.474 166 T N 1.789 116.425 114.554 0.136 0.000 2.943 166 T HA 0.436 4.786 4.350 -0.001 0.000 0.284 166 T C 1.282 175.825 174.700 -0.262 0.000 1.015 166 T CA -0.752 61.343 62.100 -0.009 0.000 1.042 166 T CB 1.137 69.971 68.868 -0.057 0.000 1.055 166 T HN 0.647 nan 8.240 nan 0.000 0.500 167 R N 0.804 120.857 120.500 -0.745 0.000 2.103 167 R HA -0.165 4.174 4.340 -0.001 0.000 0.242 167 R C 2.035 178.102 176.300 -0.388 0.000 1.142 167 R CA 1.974 57.565 56.100 -0.849 0.000 0.960 167 R CB -0.463 29.352 30.300 -0.809 0.000 0.858 167 R HN 0.718 nan 8.270 nan 0.000 0.439 168 E N 0.259 120.303 120.200 -0.260 0.000 2.077 168 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 168 E C 1.276 177.816 176.600 -0.100 0.000 0.989 168 E CA 1.161 57.469 56.400 -0.153 0.000 0.800 168 E CB -0.407 29.226 29.700 -0.111 0.000 0.746 168 E HN 0.414 nan 8.360 nan 0.000 0.452 172 A N -0.668 122.150 122.820 -0.003 0.000 1.902 172 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 172 A C 1.946 179.558 177.584 0.046 0.000 1.181 172 A CA 2.050 54.094 52.037 0.013 0.000 0.623 172 A CB -0.897 18.109 19.000 0.010 0.000 0.818 172 A HN 1.164 nan 8.150 nan 0.000 0.443 173 Y N -0.363 119.920 120.300 -0.029 0.000 2.145 173 Y HA -0.283 4.267 4.550 -0.001 0.000 0.286 173 Y C 2.534 178.431 175.900 -0.005 0.000 1.145 173 Y CA 2.346 60.440 58.100 -0.011 0.000 1.148 173 Y CB -0.470 37.989 38.460 -0.002 0.000 0.981 173 Y HN 0.589 nan 8.280 nan 0.000 0.507 174 H N 0.271 119.302 119.070 -0.065 0.000 2.352 174 H HA -0.222 4.333 4.556 -0.001 0.000 0.299 174 H C 2.316 177.511 175.328 -0.221 0.000 1.097 174 H CA 2.003 57.873 56.048 -0.295 0.000 1.311 174 H CB -0.050 29.470 29.762 -0.403 0.000 1.377 174 H HN 0.250 nan 8.280 nan 0.000 0.504 175 R N 1.465 121.894 120.500 -0.118 0.000 2.081 175 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 175 R C 2.692 178.892 176.300 -0.166 0.000 1.131 175 R CA 2.138 58.157 56.100 -0.136 0.000 0.960 175 R CB -0.502 29.767 30.300 -0.052 0.000 0.856 175 R HN 0.581 nan 8.270 nan 0.000 0.436 176 R N -1.230 119.170 120.500 -0.166 0.000 2.246 176 R HA 0.164 4.503 4.340 -0.001 0.000 0.199 176 R C 1.258 177.436 176.300 -0.203 0.000 0.984 176 R CA 0.435 56.440 56.100 -0.158 0.000 1.015 176 R CB 0.119 30.344 30.300 -0.125 0.000 0.930 176 R HN 0.006 nan 8.270 nan 0.000 0.475 177 R N -0.359 119.976 120.500 -0.276 0.000 2.221 177 R HA 0.110 4.449 4.340 -0.001 0.000 0.195 177 R C -0.061 176.155 176.300 -0.140 0.000 0.956 177 R CA 0.434 56.382 56.100 -0.254 0.000 1.064 177 R CB -0.063 29.955 30.300 -0.470 0.000 1.049 177 R HN 0.162 nan 8.270 nan 0.000 0.534 178 Y N 1.857 121.898 120.300 -0.432 0.000 2.667 178 Y HA 0.344 4.893 4.550 -0.001 0.000 0.340 178 Y C 0.087 175.758 175.900 -0.380 0.000 1.303 178 Y CA -0.308 57.528 58.100 -0.440 0.000 1.769 178 Y CB -0.293 37.706 38.460 -0.767 0.000 1.804 178 Y HN -0.226 nan 8.280 nan 0.000 0.451 179 L N 3.420 124.577 121.223 -0.111 0.000 2.346 179 L HA 0.398 4.737 4.340 -0.001 0.000 0.276 179 L C -1.365 175.551 176.870 0.078 0.000 1.006 179 L CA -2.181 52.642 54.840 -0.029 0.000 0.817 179 L CB 2.125 44.166 42.059 -0.030 0.000 1.272 179 L HN 0.098 nan 8.230 nan 0.000 0.421 180 P HA -0.232 nan 4.420 nan 0.000 0.217 180 P C 0.935 178.332 177.300 0.161 0.000 1.158 180 P CA 1.606 64.877 63.100 0.285 0.000 0.887 180 P CB 0.191 32.057 31.700 0.276 0.000 0.792 181 K N -1.616 118.846 120.400 0.104 0.000 2.362 181 K HA -0.055 4.265 4.320 -0.001 0.000 0.200 181 K C 1.145 177.776 176.600 0.052 0.000 1.046 181 K CA 0.292 56.622 56.287 0.072 0.000 0.952 181 K CB -0.259 32.271 32.500 0.050 0.000 0.753 181 K HN 0.166 nan 8.250 nan 0.000 0.466 185 L N 4.784 126.020 121.223 0.022 0.000 2.264 185 L HA 0.958 5.297 4.340 -0.001 0.000 0.289 185 L C 0.178 176.989 176.870 -0.099 0.000 1.044 185 L CA 0.298 55.061 54.840 -0.128 0.000 0.807 185 L CB 0.974 42.877 42.059 -0.262 0.000 1.192 185 L HN 0.953 nan 8.230 nan 0.000 0.425 186 A N 4.356 127.163 122.820 -0.021 0.000 2.401 186 A HA 1.010 5.329 4.320 -0.001 0.000 0.310 186 A C -1.069 176.554 177.584 0.065 0.000 1.075 186 A CA -0.057 51.962 52.037 -0.031 0.000 0.746 186 A CB 1.607 20.512 19.000 -0.158 0.000 1.277 186 A HN 1.268 nan 8.150 nan 0.000 0.425 187 A N 0.363 123.216 122.820 0.055 0.000 2.549 187 A HA 0.878 5.198 4.320 -0.001 0.000 0.297 187 A C -0.553 177.087 177.584 0.094 0.000 1.061 187 A CA -0.116 51.976 52.037 0.091 0.000 0.690 187 A CB 1.679 20.716 19.000 0.061 0.000 1.287 187 A HN 1.552 nan 8.150 nan 0.000 0.402 188 T N -0.104 114.522 114.554 0.119 0.000 2.916 188 T HA 0.776 5.125 4.350 -0.001 0.000 0.305 188 T C 0.181 174.943 174.700 0.104 0.000 1.119 188 T CA 1.172 63.340 62.100 0.114 0.000 1.008 188 T CB 1.197 70.153 68.868 0.148 0.000 1.129 188 T HN 2.764 nan 8.240 nan 0.000 0.480 189 G N 2.912 111.764 108.800 0.087 0.000 2.341 189 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.196 189 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.196 189 G C -0.495 174.440 174.900 0.059 0.000 1.231 189 G CA -0.405 44.741 45.100 0.077 0.000 1.155 189 G HN 0.837 nan 8.290 nan 0.000 0.529 190 R N 0.646 121.178 120.500 0.052 0.000 4.154 190 R HA 0.422 4.761 4.340 -0.001 0.000 0.186 190 R C 0.472 176.795 176.300 0.039 0.000 1.750 190 R CA 0.404 56.530 56.100 0.043 0.000 1.431 190 R CB -0.570 29.754 30.300 0.039 0.000 1.383 190 R HN 1.079 nan 8.270 nan 0.000 0.788 191 V N 0.854 120.798 119.914 0.051 0.000 2.547 191 V HA 0.337 4.456 4.120 -0.001 0.000 0.299 191 V C -0.674 175.480 176.094 0.100 0.000 1.040 191 V CA -0.927 61.411 62.300 0.064 0.000 0.913 191 V CB 1.874 33.740 31.823 0.071 0.000 0.992 191 V HN 0.371 nan 8.190 nan 0.000 0.449 192 D N 4.213 124.693 120.400 0.134 0.000 2.396 192 D HA 0.195 4.834 4.640 -0.001 0.000 0.225 192 D C 0.425 176.817 176.300 0.154 0.000 1.121 192 D CA -0.384 53.701 54.000 0.142 0.000 0.853 192 D CB 0.926 41.814 40.800 0.147 0.000 1.043 192 D HN 0.558 nan 8.370 nan 0.000 0.500 193 F N 3.366 123.315 119.950 -0.001 0.000 2.102 193 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 193 F C 1.547 177.331 175.800 -0.026 0.000 1.105 193 F CA 1.439 59.418 58.000 -0.034 0.000 1.239 193 F CB 0.181 39.127 39.000 -0.088 0.000 0.991 193 F HN 0.337 nan 8.300 nan 0.000 0.474 194 D N -0.212 120.205 120.400 0.027 0.000 2.123 194 D HA -0.204 4.435 4.640 -0.001 0.000 0.196 194 D C 2.370 178.588 176.300 -0.137 0.000 0.992 194 D CA 1.309 55.270 54.000 -0.066 0.000 0.833 194 D CB -0.420 40.381 40.800 0.002 0.000 0.954 194 D HN 0.254 nan 8.370 nan 0.000 0.455 195 R N -0.188 120.259 120.500 -0.088 0.000 2.075 195 R HA -0.066 4.273 4.340 -0.001 0.000 0.232 195 R C 2.262 178.496 176.300 -0.110 0.000 1.126 195 R CA 0.529 56.549 56.100 -0.134 0.000 0.963 195 R CB -0.353 29.874 30.300 -0.121 0.000 0.858 195 R HN 0.112 nan 8.270 nan 0.000 0.435 196 L N 0.740 121.959 121.223 -0.007 0.000 2.012 196 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 196 L C 2.038 178.779 176.870 -0.215 0.000 1.073 196 L CA 1.538 56.372 54.840 -0.009 0.000 0.748 196 L CB -0.473 41.527 42.059 -0.099 0.000 0.891 196 L HN 0.240 nan 8.230 nan 0.000 0.431 197 L N -0.576 120.390 121.223 -0.428 0.000 2.093 197 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 197 L C 2.458 179.186 176.870 -0.237 0.000 1.085 197 L CA 1.891 56.477 54.840 -0.422 0.000 0.755 197 L CB -0.856 40.862 42.059 -0.568 0.000 0.904 197 L HN 0.286 nan 8.230 nan 0.000 0.435 198 A N -0.947 121.754 122.820 -0.199 0.000 1.930 198 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 198 A C 2.250 179.751 177.584 -0.139 0.000 1.175 198 A CA 1.595 53.541 52.037 -0.152 0.000 0.627 198 A CB -0.566 18.348 19.000 -0.144 0.000 0.815 198 A HN 0.493 nan 8.150 nan 0.000 0.443 199 E N 0.109 120.228 120.200 -0.135 0.000 2.152 199 E HA 0.029 4.379 4.350 -0.001 0.000 0.192 199 E C 1.960 178.516 176.600 -0.073 0.000 0.983 199 E CA 1.271 57.616 56.400 -0.093 0.000 0.818 199 E CB -0.358 29.314 29.700 -0.046 0.000 0.758 199 E HN 0.463 nan 8.360 nan 0.000 0.467 200 A N 0.636 123.402 122.820 -0.090 0.000 1.898 200 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 200 A C 2.176 179.654 177.584 -0.177 0.000 1.181 200 A CA 1.735 53.704 52.037 -0.114 0.000 0.620 200 A CB -0.711 18.215 19.000 -0.125 0.000 0.819 200 A HN 0.408 nan 8.150 nan 0.000 0.442 201 E N -0.212 119.894 120.200 -0.156 0.000 2.085 201 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 201 E C 2.245 178.754 176.600 -0.152 0.000 0.994 201 E CA 1.502 57.813 56.400 -0.149 0.000 0.801 201 E CB -0.173 29.458 29.700 -0.115 0.000 0.743 201 E HN 0.564 nan 8.360 nan 0.000 0.453 202 R N 0.014 120.436 120.500 -0.130 0.000 2.066 202 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 202 R C 2.388 178.609 176.300 -0.132 0.000 1.131 202 R CA 1.482 57.515 56.100 -0.111 0.000 0.955 202 R CB -0.227 30.020 30.300 -0.089 0.000 0.851 202 R HN 0.278 nan 8.270 nan 0.000 0.432 203 L N -0.024 121.106 121.223 -0.154 0.000 2.291 203 L HA -0.052 4.287 4.340 -0.001 0.000 0.214 203 L C 1.935 178.559 176.870 -0.410 0.000 1.120 203 L CA 1.436 56.170 54.840 -0.177 0.000 0.799 203 L CB -0.099 41.901 42.059 -0.098 0.000 0.925 203 L HN 0.338 nan 8.230 nan 0.000 0.446 204 T N -5.417 108.778 114.554 -0.598 0.000 3.092 204 T HA 0.047 4.396 4.350 -0.001 0.000 0.258 204 T C 1.489 175.878 174.700 -0.518 0.000 1.031 204 T CA -0.305 61.106 62.100 -1.149 0.000 0.925 204 T CB 0.211 68.351 68.868 -1.214 0.000 1.036 204 T HN 0.076 nan 8.240 nan 0.000 0.544 205 E N 2.335 122.384 120.200 -0.252 0.000 2.130 205 E HA -0.105 4.244 4.350 -0.001 0.000 0.196 205 E C 1.936 178.537 176.600 0.002 0.000 0.998 205 E CA 1.456 57.799 56.400 -0.094 0.000 0.806 205 E CB -0.349 29.310 29.700 -0.069 0.000 0.738 205 E HN 0.693 nan 8.360 nan 0.000 0.459 206 A N -0.138 122.717 122.820 0.058 0.000 2.278 206 A HA -0.002 4.317 4.320 -0.001 0.000 0.212 206 A C -0.118 177.645 177.584 0.298 0.000 1.213 206 A CA -0.373 51.756 52.037 0.153 0.000 0.840 206 A CB -0.361 18.723 19.000 0.140 0.000 0.866 206 A HN 0.098 nan 8.150 nan 0.000 0.489 207 W N 1.503 122.808 121.300 0.009 0.000 2.238 207 W HA 0.407 5.066 4.660 -0.001 0.000 0.321 207 W C -2.111 174.411 176.519 0.005 0.000 1.293 207 W CA -2.750 54.602 57.345 0.011 0.000 1.204 207 W CB -0.197 29.275 29.460 0.020 0.000 1.167 207 W HN 0.093 nan 8.180 nan 0.000 0.553 208 P HA -0.072 nan 4.420 nan 0.000 0.264 208 P C -0.276 177.073 177.300 0.081 0.000 1.179 208 P CA 0.461 63.607 63.100 0.076 0.000 0.763 208 P CB 0.824 32.525 31.700 0.002 0.000 0.806 209 E N 0.499 120.731 120.200 0.054 0.000 2.374 209 E HA 0.553 4.902 4.350 -0.001 0.000 0.260 209 E C 0.539 177.153 176.600 0.023 0.000 1.101 209 E CA -0.318 56.108 56.400 0.043 0.000 0.907 209 E CB 0.559 30.278 29.700 0.032 0.000 1.014 209 E HN 0.740 nan 8.360 nan 0.000 0.427 210 G N 1.080 109.892 108.800 0.020 0.000 2.333 210 G HA2 0.021 3.980 3.960 -0.001 0.000 0.330 210 G HA3 0.021 3.980 3.960 -0.001 0.000 0.330 210 G C -1.451 173.452 174.900 0.004 0.000 1.465 210 G CA -0.968 44.134 45.100 0.004 0.000 0.996 210 G HN 0.425 nan 8.290 nan 0.000 0.655 211 E N -0.804 119.393 120.200 -0.005 0.000 2.221 211 E HA 0.719 5.068 4.350 -0.001 0.000 0.268 211 E C 0.009 176.593 176.600 -0.026 0.000 0.933 211 E CA -0.449 55.946 56.400 -0.007 0.000 0.809 211 E CB 2.051 31.751 29.700 0.000 0.000 1.190 211 E HN 1.129 nan 8.360 nan 0.000 0.406 212 A N 2.921 125.721 122.820 -0.033 0.000 2.545 212 A HA 0.306 4.625 4.320 -0.001 0.000 0.300 212 A C -0.683 176.870 177.584 -0.050 0.000 1.252 212 A CA -0.633 51.370 52.037 -0.058 0.000 0.753 212 A CB 0.403 19.351 19.000 -0.087 0.000 1.144 212 A HN 0.595 nan 8.150 nan 0.000 0.457 213 E N 0.941 121.115 120.200 -0.043 0.000 2.374 213 E HA 0.368 4.717 4.350 -0.001 0.000 0.260 213 E C 0.127 176.680 176.600 -0.078 0.000 1.101 213 E CA -0.375 56.008 56.400 -0.029 0.000 0.907 213 E CB 1.126 30.820 29.700 -0.011 0.000 1.014 213 E HN 0.617 nan 8.360 nan 0.000 0.427 214 R N 0.771 121.212 120.500 -0.098 0.000 2.514 214 R HA 0.513 4.852 4.340 -0.001 0.000 0.301 214 R C -1.186 174.870 176.300 -0.406 0.000 0.962 214 R CA -0.518 55.398 56.100 -0.306 0.000 0.882 214 R CB 1.230 31.250 30.300 -0.465 0.000 1.143 214 R HN 0.565 nan 8.270 nan 0.000 0.452 215 A N 3.842 126.430 122.820 -0.387 0.000 2.409 215 A HA 0.266 4.585 4.320 -0.001 0.000 0.262 215 A C -1.278 176.029 177.584 -0.462 0.000 1.113 215 A CA -0.085 51.778 52.037 -0.289 0.000 0.790 215 A CB 0.073 18.957 19.000 -0.193 0.000 1.046 215 A HN 0.787 nan 8.150 nan 0.000 0.496 216 Y N 3.446 123.729 120.300 -0.030 0.000 2.562 216 Y HA 0.299 4.848 4.550 -0.001 0.000 0.363 216 Y C -1.801 174.122 175.900 0.039 0.000 0.991 216 Y CA -1.896 56.212 58.100 0.014 0.000 1.121 216 Y CB 0.434 38.916 38.460 0.037 0.000 1.159 216 Y HN 0.592 nan 8.280 nan 0.000 0.651 217 P HA 0.254 nan 4.420 nan 0.000 0.276 217 P C -2.622 174.823 177.300 0.240 0.000 1.244 217 P CA -1.491 61.675 63.100 0.111 0.000 0.801 217 P CB 0.585 32.289 31.700 0.008 0.000 1.006 218 P HA 0.033 nan 4.420 nan 0.000 0.267 218 P C -0.664 176.770 177.300 0.224 0.000 1.200 218 P CA -0.113 63.093 63.100 0.176 0.000 0.772 218 P CB 0.338 32.100 31.700 0.103 0.000 0.855 219 L N 3.112 124.404 121.223 0.115 0.000 2.276 219 L HA 0.425 4.764 4.340 -0.001 0.000 0.286 219 L C -0.535 176.309 176.870 -0.043 0.000 1.024 219 L CA 0.306 55.125 54.840 -0.034 0.000 0.826 219 L CB 0.599 42.534 42.059 -0.208 0.000 1.211 219 L HN 0.284 nan 8.230 nan 0.000 0.422 220 T N 5.466 119.966 114.554 -0.089 0.000 3.141 220 T HA 0.459 4.808 4.350 -0.001 0.000 0.377 220 T C -2.451 172.050 174.700 -0.330 0.000 1.258 220 T CA -0.865 61.151 62.100 -0.139 0.000 1.263 220 T CB 0.702 69.530 68.868 -0.067 0.000 1.066 220 T HN 0.401 nan 8.240 nan 0.000 0.546 221 P HA 0.526 nan 4.420 nan 0.000 0.272 221 P C -0.685 175.911 177.300 -1.173 0.000 1.230 221 P CA -0.540 61.895 63.100 -1.107 0.000 0.788 221 P CB 0.521 31.235 31.700 -1.644 0.000 0.949 222 A N 1.460 123.676 122.820 -1.006 0.000 2.312 222 A HA 0.755 5.075 4.320 -0.001 0.000 0.328 222 A C -0.811 176.404 177.584 -0.615 0.000 1.158 222 A CA -0.453 51.168 52.037 -0.693 0.000 0.821 222 A CB 0.248 19.072 19.000 -0.293 0.000 1.170 222 A HN 0.457 nan 8.150 nan 0.000 0.490 223 F N 0.254 120.218 119.950 0.024 0.000 2.654 223 F HA 0.790 5.316 4.527 -0.001 0.000 0.334 223 F C 0.896 176.757 175.800 0.101 0.000 1.078 223 F CA 0.217 58.271 58.000 0.089 0.000 0.986 223 F CB 2.365 41.422 39.000 0.094 0.000 1.362 223 F HN 1.135 nan 8.300 nan 0.000 0.498 224 G N -0.255 108.767 108.800 0.369 0.000 2.331 224 G HA2 0.225 4.184 3.960 -0.001 0.000 0.479 224 G HA3 0.225 4.184 3.960 -0.001 0.000 0.479 224 G C -2.383 172.654 174.900 0.228 0.000 1.262 224 G CA -0.962 44.278 45.100 0.234 0.000 1.029 224 G HN 0.691 nan 8.290 nan 0.000 0.487 225 V N 0.555 120.545 119.914 0.127 0.000 2.531 225 V HA 0.774 4.894 4.120 -0.001 0.000 0.301 225 V C -0.047 176.052 176.094 0.009 0.000 1.034 225 V CA -0.478 61.874 62.300 0.087 0.000 0.865 225 V CB 1.615 33.444 31.823 0.009 0.000 0.995 225 V HN 0.861 nan 8.190 nan 0.000 0.424 226 E N 2.478 122.639 120.200 -0.064 0.000 2.314 226 E HA 0.581 4.930 4.350 -0.001 0.000 0.272 226 E C -1.235 175.134 176.600 -0.385 0.000 0.884 226 E CA -0.631 55.638 56.400 -0.218 0.000 0.753 226 E CB 2.655 32.195 29.700 -0.266 0.000 1.213 226 E HN 0.771 nan 8.360 nan 0.000 0.432 227 E N 1.695 121.713 120.200 -0.304 0.000 2.221 227 E HA 0.535 4.884 4.350 -0.001 0.000 0.268 227 E C -0.841 175.595 176.600 -0.273 0.000 0.933 227 E CA -0.841 55.399 56.400 -0.267 0.000 0.809 227 E CB 2.231 31.852 29.700 -0.130 0.000 1.190 227 E HN 0.195 nan 8.360 nan 0.000 0.406 228 R N 2.745 123.133 120.500 -0.186 0.000 2.518 228 R HA 0.279 4.618 4.340 -0.001 0.000 0.287 228 R C -2.829 173.455 176.300 -0.027 0.000 1.135 228 R CA -1.693 54.335 56.100 -0.120 0.000 0.967 228 R CB 1.293 31.522 30.300 -0.118 0.000 1.212 228 R HN 0.295 nan 8.270 nan 0.000 0.422 229 P HA 0.137 nan 4.420 nan 0.000 0.274 229 P C -1.632 175.621 177.300 -0.077 0.000 1.231 229 P CA -0.086 62.877 63.100 -0.228 0.000 0.790 229 P CB 0.716 32.066 31.700 -0.584 0.000 0.951 230 Y N 0.242 120.433 120.300 -0.181 0.000 2.436 230 Y HA 0.148 4.697 4.550 -0.001 0.000 0.327 230 Y C 0.883 176.873 175.900 0.150 0.000 1.138 230 Y CA -0.700 57.459 58.100 0.098 0.000 1.042 230 Y CB 1.617 40.245 38.460 0.281 0.000 1.302 230 Y HN 0.295 nan 8.280 nan 0.000 0.439 231 E N 2.627 122.758 120.200 -0.116 0.000 2.216 231 E HA -0.046 4.303 4.350 -0.001 0.000 0.192 231 E C 0.996 177.448 176.600 -0.247 0.000 0.988 231 E CA 0.625 56.983 56.400 -0.071 0.000 0.834 231 E CB 0.406 30.096 29.700 -0.017 0.000 0.772 231 E HN 0.551 nan 8.360 nan 0.000 0.479 232 K N 0.419 120.440 120.400 -0.631 0.000 2.366 232 K HA 0.061 4.380 4.320 -0.001 0.000 0.198 232 K C 0.753 177.273 176.600 -0.133 0.000 1.044 232 K CA 0.148 56.196 56.287 -0.398 0.000 0.973 232 K CB 0.092 32.294 32.500 -0.498 0.000 0.767 232 K HN -0.073 nan 8.250 nan 0.000 0.475 233 A N 1.899 124.706 122.820 -0.022 0.000 2.350 233 A HA 0.223 4.542 4.320 -0.001 0.000 0.293 233 A C 0.339 178.044 177.584 0.201 0.000 1.231 233 A CA -0.186 51.989 52.037 0.230 0.000 0.883 233 A CB -0.003 19.218 19.000 0.368 0.000 1.133 233 A HN 0.142 nan 8.150 nan 0.000 0.533 234 R N 1.394 122.034 120.500 0.233 0.000 2.552 234 R HA 0.506 4.845 4.340 -0.001 0.000 0.314 234 R C 0.143 176.500 176.300 0.095 0.000 1.041 234 R CA 0.841 57.020 56.100 0.132 0.000 1.076 234 R CB 0.634 30.989 30.300 0.092 0.000 1.290 234 R HN 0.830 nan 8.270 nan 0.000 0.563 235 A N -0.139 122.743 122.820 0.103 0.000 2.536 235 A HA 0.440 4.759 4.320 -0.001 0.000 0.293 235 A C -2.061 175.413 177.584 -0.184 0.000 1.119 235 A CA -0.846 51.104 52.037 -0.144 0.000 0.654 235 A CB 0.639 19.401 19.000 -0.396 0.000 1.291 235 A HN 0.124 nan 8.150 nan 0.000 0.439 236 L N 0.479 121.533 121.223 -0.281 0.000 2.276 236 L HA 0.715 5.054 4.340 -0.001 0.000 0.286 236 L C -1.674 174.952 176.870 -0.408 0.000 1.061 236 L CA 0.083 54.809 54.840 -0.190 0.000 0.807 236 L CB 0.198 42.188 42.059 -0.114 0.000 1.177 236 L HN 0.487 nan 8.230 nan 0.000 0.429 237 Y N 6.133 126.439 120.300 0.010 0.000 2.376 237 Y HA 0.520 5.069 4.550 -0.002 0.000 0.326 237 Y C -0.616 175.269 175.900 -0.024 0.000 0.970 237 Y CA -0.788 57.291 58.100 -0.035 0.000 1.248 237 Y CB 1.539 40.053 38.460 0.091 0.000 1.117 237 Y HN 0.543 nan 8.280 nan 0.000 0.476 238 L N 4.894 126.092 121.223 -0.041 0.000 2.287 238 L HA 0.794 5.133 4.340 -0.001 0.000 0.287 238 L C -1.320 175.523 176.870 -0.046 0.000 1.022 238 L CA -0.778 54.067 54.840 0.009 0.000 0.814 238 L CB 1.137 43.203 42.059 0.011 0.000 1.217 238 L HN 0.347 nan 8.230 nan 0.000 0.420 239 V N 4.778 124.691 119.914 -0.002 0.000 2.555 239 V HA 0.890 5.009 4.120 -0.001 0.000 0.302 239 V C 0.057 176.063 176.094 -0.147 0.000 1.038 239 V CA -0.307 61.906 62.300 -0.146 0.000 0.887 239 V CB 1.429 33.019 31.823 -0.389 0.000 0.991 239 V HN 1.007 nan 8.190 nan 0.000 0.434 240 A N 5.871 128.547 122.820 -0.240 0.000 2.343 240 A HA 0.905 5.224 4.320 -0.001 0.000 0.316 240 A C -1.081 176.133 177.584 -0.617 0.000 1.104 240 A CA -0.518 51.179 52.037 -0.566 0.000 0.768 240 A CB 0.992 19.550 19.000 -0.736 0.000 1.213 240 A HN 0.771 nan 8.150 nan 0.000 0.456 241 L N 1.963 122.673 121.223 -0.855 0.000 2.346 241 L HA 0.716 5.056 4.340 -0.001 0.000 0.276 241 L C -1.326 174.965 176.870 -0.965 0.000 1.006 241 L CA -0.354 53.947 54.840 -0.897 0.000 0.817 241 L CB 1.697 43.012 42.059 -1.240 0.000 1.272 241 L HN 0.716 nan 8.230 nan 0.000 0.421 242 F N 1.660 121.506 119.950 -0.174 0.000 2.576 242 F HA 0.516 5.043 4.527 -0.001 0.000 0.313 242 F C -2.275 173.807 175.800 0.470 0.000 1.078 242 F CA -2.632 55.538 58.000 0.284 0.000 0.921 242 F CB 1.404 40.576 39.000 0.287 0.000 1.232 242 F HN 0.221 nan 8.300 nan 0.000 0.459 243 P HA 0.193 nan 4.420 nan 0.000 0.265 243 P C -0.164 177.583 177.300 0.746 0.000 1.193 243 P CA 0.279 63.815 63.100 0.726 0.000 0.765 243 P CB 0.641 32.712 31.700 0.619 0.000 0.823 244 G N 1.354 110.418 108.800 0.440 0.000 3.257 244 G HA2 0.676 4.635 3.960 -0.001 0.000 0.205 244 G HA3 0.676 4.635 3.960 -0.001 0.000 0.205 244 G C -0.829 174.086 174.900 0.025 0.000 1.234 244 G CA -0.507 44.619 45.100 0.043 0.000 0.918 244 G HN 0.489 nan 8.290 nan 0.000 0.602 245 V N -2.866 116.913 119.914 -0.224 0.000 3.001 245 V HA 0.913 5.032 4.120 -0.001 0.000 0.314 245 V C 0.181 176.225 176.094 -0.083 0.000 1.099 245 V CA -0.648 61.587 62.300 -0.109 0.000 0.989 245 V CB 1.171 32.869 31.823 -0.208 0.000 1.040 245 V HN 1.461 nan 8.190 nan 0.000 0.434 246 A N 1.144 123.963 122.820 -0.002 0.000 2.264 246 A HA 0.647 4.966 4.320 -0.001 0.000 0.304 246 A C 0.416 178.004 177.584 0.007 0.000 1.100 246 A CA -0.493 51.582 52.037 0.063 0.000 0.839 246 A CB 0.147 19.217 19.000 0.118 0.000 1.121 246 A HN 1.004 nan 8.150 nan 0.000 0.496 247 Y N -0.241 119.994 120.300 -0.109 0.000 2.228 247 Y HA -0.306 4.243 4.550 -0.001 0.000 0.285 247 Y C 2.363 178.188 175.900 -0.124 0.000 1.178 247 Y CA 2.533 60.528 58.100 -0.176 0.000 1.202 247 Y CB 0.004 38.347 38.460 -0.196 0.000 0.974 247 Y HN 0.752 nan 8.280 nan 0.000 0.527 248 Q N -0.071 119.796 119.800 0.110 0.000 2.432 248 Q HA 0.009 4.348 4.340 -0.001 0.000 0.205 248 Q C -0.257 175.754 176.000 0.019 0.000 0.945 248 Q CA 0.496 56.334 55.803 0.058 0.000 0.924 248 Q CB 0.291 29.061 28.738 0.053 0.000 1.016 248 Q HN 0.399 nan 8.270 nan 0.000 0.503 249 E N 0.014 120.206 120.200 -0.014 0.000 2.156 249 E HA 0.049 4.398 4.350 -0.001 0.000 0.279 249 E C 0.084 176.645 176.600 -0.064 0.000 0.965 249 E CA -0.255 56.137 56.400 -0.013 0.000 0.789 249 E CB 1.323 31.028 29.700 0.007 0.000 1.098 249 E HN 0.044 nan 8.360 nan 0.000 0.397 250 E N 3.141 123.358 120.200 0.028 0.000 2.267 250 E HA -0.206 4.143 4.350 -0.001 0.000 0.197 250 E C 1.611 178.265 176.600 0.090 0.000 0.998 250 E CA 1.454 57.931 56.400 0.128 0.000 0.830 250 E CB -0.024 29.776 29.700 0.167 0.000 0.751 250 E HN 0.649 nan 8.360 nan 0.000 0.491 251 A N 1.318 124.151 122.820 0.023 0.000 2.186 251 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 251 A C 2.021 179.530 177.584 -0.125 0.000 1.159 251 A CA 1.493 53.529 52.037 -0.001 0.000 0.680 251 A CB -0.762 18.256 19.000 0.031 0.000 0.787 251 A HN 0.454 nan 8.150 nan 0.000 0.467 252 R N -1.202 119.117 120.500 -0.302 0.000 2.105 252 R HA -0.151 4.188 4.340 -0.001 0.000 0.239 252 R C 1.613 177.671 176.300 -0.404 0.000 1.135 252 R CA 1.820 57.643 56.100 -0.461 0.000 0.967 252 R CB -0.871 29.013 30.300 -0.694 0.000 0.861 252 R HN 0.468 nan 8.270 nan 0.000 0.442 253 F N 2.185 122.100 119.950 -0.058 0.000 2.060 253 F HA 0.010 4.537 4.527 -0.000 0.000 0.295 253 F C -0.324 175.463 175.800 -0.022 0.000 1.120 253 F CA 0.594 58.565 58.000 -0.048 0.000 1.205 253 F CB -1.529 37.440 39.000 -0.052 0.000 0.986 253 F HN 0.041 nan 8.300 nan 0.000 0.470 254 P HA -0.109 nan 4.420 nan 0.000 0.219 254 P C 1.732 179.083 177.300 0.086 0.000 1.146 254 P CA 1.944 65.103 63.100 0.098 0.000 0.808 254 P CB -0.453 31.297 31.700 0.084 0.000 0.779 255 G N 0.153 108.990 108.800 0.061 0.000 2.418 255 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 255 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 255 G C 1.680 176.696 174.900 0.193 0.000 1.158 255 G CA 0.488 45.669 45.100 0.135 0.000 0.771 255 G HN 0.192 nan 8.290 nan 0.000 0.545 256 Q N 0.188 120.048 119.800 0.100 0.000 2.119 256 Q HA -0.014 4.325 4.340 -0.001 0.000 0.201 256 Q C 2.989 179.140 176.000 0.252 0.000 0.972 256 Q CA 0.776 56.686 55.803 0.179 0.000 0.847 256 Q CB -0.685 28.112 28.738 0.100 0.000 0.903 256 Q HN 0.395 nan 8.270 nan 0.000 0.433 257 V N 1.416 121.414 119.914 0.139 0.000 2.287 257 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 257 V C 2.391 178.555 176.094 0.116 0.000 1.053 257 V CA 1.613 63.975 62.300 0.102 0.000 1.027 257 V CB -0.765 31.089 31.823 0.052 0.000 0.646 257 V HN 0.255 nan 8.190 nan 0.000 0.447 258 L N 1.059 122.340 121.223 0.097 0.000 1.990 258 L HA -0.175 4.164 4.340 -0.001 0.000 0.213 258 L C 2.450 179.348 176.870 0.048 0.000 1.072 258 L CA 2.620 57.478 54.840 0.030 0.000 0.755 258 L CB -1.158 40.891 42.059 -0.016 0.000 0.889 258 L HN 0.238 nan 8.230 nan 0.000 0.432 259 A N -1.553 121.406 122.820 0.231 0.000 1.902 259 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 259 A C 2.274 179.949 177.584 0.151 0.000 1.181 259 A CA 1.807 54.045 52.037 0.334 0.000 0.623 259 A CB -1.013 18.222 19.000 0.391 0.000 0.818 259 A HN 0.723 nan 8.150 nan 0.000 0.443 260 H N -1.040 118.093 119.070 0.105 0.000 2.357 260 H HA -0.055 4.501 4.556 -0.001 0.000 0.301 260 H C 2.187 177.536 175.328 0.034 0.000 1.082 260 H CA 1.523 57.610 56.048 0.065 0.000 1.342 260 H CB -0.260 29.527 29.762 0.041 0.000 1.389 260 H HN 0.479 nan 8.280 nan 0.000 0.511 261 L N 0.729 122.026 121.223 0.123 0.000 2.043 261 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 261 L C 2.201 179.064 176.870 -0.011 0.000 1.075 261 L CA 1.213 56.077 54.840 0.040 0.000 0.752 261 L CB -0.260 41.798 42.059 -0.001 0.000 0.891 261 L HN 0.138 nan 8.230 nan 0.000 0.432 262 L N -1.128 120.037 121.223 -0.098 0.000 2.095 262 L HA -0.026 4.313 4.340 -0.001 0.000 0.204 262 L C 2.329 179.178 176.870 -0.035 0.000 1.080 262 L CA 1.217 55.945 54.840 -0.186 0.000 0.759 262 L CB -0.653 41.032 42.059 -0.624 0.000 0.914 262 L HN 0.362 nan 8.230 nan 0.000 0.439 263 G N -1.664 107.159 108.800 0.038 0.000 2.921 263 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.213 263 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.213 263 G C 0.335 175.264 174.900 0.048 0.000 1.143 263 G CA -0.293 44.864 45.100 0.094 0.000 0.764 263 G HN 0.118 nan 8.290 nan 0.000 0.542 264 E N 1.540 121.765 120.200 0.041 0.000 2.652 264 E HA 0.028 4.377 4.350 -0.001 0.000 0.255 264 E C 0.447 177.053 176.600 0.010 0.000 0.952 264 E CA -0.033 56.396 56.400 0.048 0.000 0.947 264 E CB 0.228 29.982 29.700 0.091 0.000 0.912 264 E HN 0.420 nan 8.360 nan 0.000 0.489 265 E N 2.865 123.061 120.200 -0.008 0.000 2.376 265 E HA 0.147 4.496 4.350 -0.001 0.000 0.266 265 E C 0.848 177.323 176.600 -0.208 0.000 1.009 265 E CA 0.746 57.108 56.400 -0.062 0.000 0.902 265 E CB 0.147 29.834 29.700 -0.022 0.000 0.972 265 E HN 0.791 nan 8.360 nan 0.000 0.439 266 G N 2.914 111.398 108.800 -0.527 0.000 2.245 266 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.264 266 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.264 266 G C 0.728 175.125 174.900 -0.839 0.000 0.985 266 G CA 1.032 45.529 45.100 -1.005 0.000 0.625 266 G HN 0.870 nan 8.290 nan 0.000 0.536 267 S N -1.497 113.991 115.700 -0.353 0.000 2.612 267 S HA 0.542 5.011 4.470 -0.001 0.000 0.278 267 S C 1.380 176.119 174.600 0.233 0.000 1.082 267 S CA 1.066 59.291 58.200 0.042 0.000 1.185 267 S CB 0.210 63.454 63.200 0.072 0.000 1.077 267 S HN 1.639 nan 8.310 nan 0.000 0.585 268 G N 1.465 110.338 108.800 0.122 0.000 2.651 268 G HA2 0.394 4.353 3.960 -0.001 0.000 0.260 268 G HA3 0.394 4.353 3.960 -0.001 0.000 0.260 268 G C 0.545 175.583 174.900 0.230 0.000 1.216 268 G CA -0.642 44.549 45.100 0.150 0.000 0.913 268 G HN 0.303 nan 8.290 nan 0.000 0.535 269 R N -0.585 120.001 120.500 0.144 0.000 2.091 269 R HA -0.071 4.268 4.340 -0.001 0.000 0.238 269 R C 2.538 178.911 176.300 0.122 0.000 1.136 269 R CA 1.059 57.239 56.100 0.134 0.000 0.959 269 R CB -0.394 29.913 30.300 0.011 0.000 0.856 269 R HN 0.458 nan 8.270 nan 0.000 0.437 270 L N -0.422 120.843 121.223 0.070 0.000 2.141 270 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 270 L C 2.730 179.628 176.870 0.047 0.000 1.094 270 L CA 1.112 55.988 54.840 0.060 0.000 0.763 270 L CB -0.823 41.281 42.059 0.074 0.000 0.908 270 L HN 0.382 nan 8.230 nan 0.000 0.437 271 H N 0.512 119.550 119.070 -0.053 0.000 2.289 271 H HA -0.227 4.328 4.556 -0.001 0.000 0.296 271 H C 2.195 177.374 175.328 -0.249 0.000 1.091 271 H CA 2.320 58.246 56.048 -0.203 0.000 1.274 271 H CB -0.036 29.495 29.762 -0.384 0.000 1.364 271 H HN 0.228 nan 8.280 nan 0.000 0.490 272 F N 0.476 120.394 119.950 -0.053 0.000 2.293 272 F HA 0.061 4.587 4.527 -0.001 0.000 0.297 272 F C 2.926 178.669 175.800 -0.094 0.000 1.089 272 F CA 0.821 58.761 58.000 -0.100 0.000 1.377 272 F CB -0.541 38.465 39.000 0.010 0.000 1.051 272 F HN 0.234 nan 8.300 nan 0.000 0.511 273 A N -0.452 122.426 122.820 0.096 0.000 1.930 273 A HA -0.008 4.311 4.320 -0.001 0.000 0.217 273 A C 2.012 179.591 177.584 -0.009 0.000 1.175 273 A CA 1.587 53.648 52.037 0.040 0.000 0.627 273 A CB -0.512 18.509 19.000 0.035 0.000 0.815 273 A HN 0.404 nan 8.150 nan 0.000 0.443 274 L N -2.592 118.601 121.223 -0.049 0.000 2.666 274 L HA 0.101 4.440 4.340 -0.001 0.000 0.184 274 L C 2.265 179.066 176.870 -0.115 0.000 1.092 274 L CA 0.260 55.064 54.840 -0.061 0.000 0.857 274 L CB -0.149 41.892 42.059 -0.030 0.000 1.281 274 L HN 0.115 nan 8.230 nan 0.000 0.489 275 V N 0.183 119.982 119.914 -0.192 0.000 2.283 275 V HA -0.272 3.847 4.120 -0.001 0.000 0.243 275 V C 1.975 177.893 176.094 -0.293 0.000 1.039 275 V CA 2.332 64.500 62.300 -0.220 0.000 1.016 275 V CB -0.368 31.351 31.823 -0.173 0.000 0.650 275 V HN 0.462 nan 8.190 nan 0.000 0.449 276 D N 0.046 120.124 120.400 -0.536 0.000 2.182 276 D HA -0.181 4.459 4.640 -0.001 0.000 0.201 276 D C 1.993 178.214 176.300 -0.132 0.000 0.986 276 D CA 1.183 54.965 54.000 -0.362 0.000 0.847 276 D CB -0.066 40.489 40.800 -0.409 0.000 0.942 276 D HN 0.371 nan 8.370 nan 0.000 0.467 277 K N -1.078 119.259 120.400 -0.105 0.000 2.444 277 K HA 0.200 4.520 4.320 -0.001 0.000 0.193 277 K C 1.123 177.696 176.600 -0.046 0.000 1.024 277 K CA 0.501 56.760 56.287 -0.047 0.000 1.077 277 K CB 0.497 32.980 32.500 -0.028 0.000 0.833 277 K HN 0.215 nan 8.250 nan 0.000 0.517 278 G N 1.409 110.171 108.800 -0.062 0.000 2.143 278 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.248 278 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.248 278 G C 0.587 175.460 174.900 -0.044 0.000 0.991 278 G CA 0.038 45.109 45.100 -0.047 0.000 0.689 278 G HN 0.285 nan 8.290 nan 0.000 0.522 279 L N -0.626 120.567 121.223 -0.051 0.000 2.375 279 L HA 0.553 4.892 4.340 -0.001 0.000 0.215 279 L C 1.509 178.347 176.870 -0.054 0.000 1.108 279 L CA 1.135 55.948 54.840 -0.046 0.000 0.830 279 L CB 0.008 42.044 42.059 -0.038 0.000 0.959 279 L HN 0.616 nan 8.230 nan 0.000 0.457 280 A N -1.049 121.736 122.820 -0.059 0.000 2.587 280 A HA 0.337 4.656 4.320 -0.001 0.000 0.293 280 A C 0.348 177.901 177.584 -0.051 0.000 1.087 280 A CA -0.521 51.478 52.037 -0.064 0.000 0.692 280 A CB 1.507 20.471 19.000 -0.060 0.000 1.291 280 A HN 0.045 nan 8.150 nan 0.000 0.407 281 E N -0.235 119.937 120.200 -0.047 0.000 2.190 281 E HA 0.258 4.607 4.350 -0.001 0.000 0.191 281 E C -0.376 176.238 176.600 0.023 0.000 0.978 281 E CA 0.927 57.318 56.400 -0.015 0.000 0.839 281 E CB 0.332 30.023 29.700 -0.016 0.000 0.787 281 E HN 0.489 nan 8.360 nan 0.000 0.473 282 V N 0.366 120.297 119.914 0.027 0.000 2.841 282 V HA 0.697 4.816 4.120 -0.001 0.000 0.310 282 V C -1.020 175.122 176.094 0.080 0.000 1.090 282 V CA -0.677 61.682 62.300 0.098 0.000 0.930 282 V CB 1.769 33.718 31.823 0.211 0.000 1.014 282 V HN 0.149 nan 8.190 nan 0.000 0.425 283 A N 2.779 125.677 122.820 0.130 0.000 2.465 283 A HA 0.940 5.259 4.320 -0.001 0.000 0.292 283 A C -0.505 177.192 177.584 0.188 0.000 1.041 283 A CA -0.100 52.018 52.037 0.134 0.000 0.718 283 A CB 1.907 20.956 19.000 0.082 0.000 1.266 283 A HN 1.358 nan 8.150 nan 0.000 0.403 284 S N 0.781 116.628 115.700 0.246 0.000 2.618 284 S HA 0.908 5.378 4.470 -0.001 0.000 0.277 284 S C -1.070 173.678 174.600 0.246 0.000 1.138 284 S CA -0.701 57.631 58.200 0.220 0.000 0.844 284 S CB 1.666 64.995 63.200 0.215 0.000 1.127 284 S HN 1.480 nan 8.310 nan 0.000 0.474 285 F N -0.246 119.684 119.950 -0.034 0.000 2.608 285 F HA 0.743 5.270 4.527 -0.001 0.000 0.309 285 F C -0.101 175.547 175.800 -0.253 0.000 1.103 285 F CA 0.240 58.167 58.000 -0.120 0.000 0.954 285 F CB 2.000 40.960 39.000 -0.066 0.000 1.267 285 F HN 1.158 nan 8.300 nan 0.000 0.444 286 G N 3.553 111.919 108.800 -0.724 0.000 2.690 286 G HA2 0.579 4.538 3.960 -0.001 0.000 0.291 286 G HA3 0.579 4.538 3.960 -0.001 0.000 0.291 286 G C -2.745 171.996 174.900 -0.265 0.000 1.403 286 G CA -0.866 43.961 45.100 -0.455 0.000 0.864 286 G HN 0.723 nan 8.290 nan 0.000 0.480 287 L N 0.122 121.305 121.223 -0.067 0.000 2.333 287 L HA 0.700 5.039 4.340 -0.001 0.000 0.280 287 L C -0.730 176.074 176.870 -0.110 0.000 1.004 287 L CA -0.701 54.011 54.840 -0.214 0.000 0.820 287 L CB 1.734 43.600 42.059 -0.322 0.000 1.247 287 L HN 0.373 nan 8.230 nan 0.000 0.416 288 E N 3.757 123.903 120.200 -0.089 0.000 2.183 288 E HA 0.248 4.597 4.350 -0.001 0.000 0.250 288 E C -0.769 175.796 176.600 -0.059 0.000 0.901 288 E CA -0.494 55.890 56.400 -0.028 0.000 0.741 288 E CB 1.081 30.797 29.700 0.026 0.000 1.182 288 E HN 0.642 nan 8.360 nan 0.000 0.425 289 E N 1.074 121.199 120.200 -0.125 0.000 2.404 289 E HA 0.377 4.727 4.350 -0.001 0.000 0.261 289 E C -0.084 176.632 176.600 0.194 0.000 1.074 289 E CA 0.011 56.359 56.400 -0.086 0.000 0.917 289 E CB 0.861 30.338 29.700 -0.371 0.000 0.965 289 E HN 0.525 nan 8.360 nan 0.000 0.433 290 A N 1.460 124.469 122.820 0.314 0.000 2.525 290 A HA 0.468 4.787 4.320 -0.001 0.000 0.291 290 A C -1.178 176.694 177.584 0.481 0.000 1.268 290 A CA -0.752 51.541 52.037 0.427 0.000 0.712 290 A CB 0.980 20.159 19.000 0.298 0.000 1.320 290 A HN 0.541 nan 8.150 nan 0.000 0.456 291 D N 0.207 120.879 120.400 0.454 0.000 2.393 291 D HA 0.429 5.069 4.640 -0.001 0.000 0.232 291 D C 0.328 176.828 176.300 0.333 0.000 1.192 291 D CA 0.327 54.550 54.000 0.371 0.000 0.882 291 D CB -0.321 40.574 40.800 0.158 0.000 1.038 291 D HN 0.503 nan 8.370 nan 0.000 0.499 292 R N 1.041 121.680 120.500 0.233 0.000 3.863 292 R HA -0.168 4.171 4.340 -0.001 0.000 0.313 292 R C -0.459 175.957 176.300 0.192 0.000 1.202 292 R CA 1.074 57.264 56.100 0.149 0.000 0.852 292 R CB -1.778 28.521 30.300 -0.002 0.000 1.292 292 R HN 0.454 nan 8.270 nan 0.000 0.519 293 A N -1.489 121.458 122.820 0.212 0.000 2.586 293 A HA 0.857 5.176 4.320 -0.001 0.000 0.290 293 A C -0.472 177.223 177.584 0.184 0.000 1.086 293 A CA -0.169 51.983 52.037 0.192 0.000 0.665 293 A CB 1.713 20.826 19.000 0.189 0.000 1.279 293 A HN 0.450 nan 8.150 nan 0.000 0.423 294 G N -0.999 107.902 108.800 0.168 0.000 2.576 294 G HA2 0.816 4.775 3.960 -0.001 0.000 0.290 294 G HA3 0.816 4.775 3.960 -0.001 0.000 0.290 294 G C -0.925 174.049 174.900 0.123 0.000 1.442 294 G CA 0.387 45.550 45.100 0.105 0.000 0.792 294 G HN 1.908 nan 8.290 nan 0.000 0.491 295 T N -1.834 112.739 114.554 0.031 0.000 2.933 295 T HA 0.702 5.051 4.350 -0.001 0.000 0.305 295 T C -1.070 173.576 174.700 -0.090 0.000 1.092 295 T CA -0.684 61.446 62.100 0.051 0.000 1.008 295 T CB 1.637 70.533 68.868 0.047 0.000 1.102 295 T HN 0.347 nan 8.240 nan 0.000 0.469 296 F N 1.878 121.895 119.950 0.112 0.000 2.378 296 F HA 0.667 5.193 4.527 -0.002 0.000 0.325 296 F C 0.990 176.781 175.800 -0.014 0.000 1.097 296 F CA -0.108 57.892 58.000 -0.000 0.000 1.079 296 F CB 1.166 40.187 39.000 0.034 0.000 1.240 296 F HN 0.978 nan 8.300 nan 0.000 0.519 297 H N -0.552 118.374 119.070 -0.240 0.000 3.046 297 H HA 0.821 5.377 4.556 -0.001 0.000 0.363 297 H C -1.659 173.368 175.328 -0.502 0.000 1.203 297 H CA -1.409 54.491 56.048 -0.247 0.000 1.169 297 H CB 1.053 30.797 29.762 -0.030 0.000 1.851 297 H HN 0.762 nan 8.280 nan 0.000 0.546 298 A N 2.333 125.066 122.820 -0.145 0.000 2.337 298 A HA 0.602 4.921 4.320 -0.001 0.000 0.331 298 A C -1.812 175.891 177.584 0.199 0.000 1.137 298 A CA -0.832 51.249 52.037 0.073 0.000 0.807 298 A CB 1.083 20.297 19.000 0.358 0.000 1.250 298 A HN 0.755 nan 8.150 nan 0.000 0.468 299 Y N 1.367 121.742 120.300 0.126 0.000 2.354 299 Y HA 0.569 5.118 4.550 -0.002 0.000 0.330 299 Y C -1.432 174.547 175.900 0.131 0.000 1.011 299 Y CA -0.617 57.556 58.100 0.122 0.000 1.099 299 Y CB 1.895 40.506 38.460 0.252 0.000 1.179 299 Y HN 0.516 nan 8.280 nan 0.000 0.442 300 V N 6.321 125.943 119.914 -0.485 0.000 2.588 300 V HA 0.384 4.504 4.120 -0.001 0.000 0.304 300 V C -0.918 174.836 176.094 -0.566 0.000 1.042 300 V CA -0.827 61.248 62.300 -0.375 0.000 0.877 300 V CB 1.742 33.489 31.823 -0.128 0.000 0.996 300 V HN 0.767 nan 8.190 nan 0.000 0.425 301 Q N 2.728 122.277 119.800 -0.418 0.000 2.333 301 Q HA 0.790 5.129 4.340 -0.001 0.000 0.265 301 Q C -0.602 175.247 176.000 -0.252 0.000 0.989 301 Q CA -0.208 55.362 55.803 -0.389 0.000 0.842 301 Q CB 1.884 30.479 28.738 -0.238 0.000 1.262 301 Q HN 1.011 nan 8.270 nan 0.000 0.451 302 A N 3.226 125.885 122.820 -0.268 0.000 2.583 302 A HA 0.433 4.753 4.320 -0.001 0.000 0.299 302 A C -1.575 175.916 177.584 -0.155 0.000 1.258 302 A CA -0.668 51.270 52.037 -0.166 0.000 0.682 302 A CB 1.200 20.129 19.000 -0.118 0.000 1.332 302 A HN 0.705 nan 8.150 nan 0.000 0.485 303 D N 0.371 120.712 120.400 -0.098 0.000 2.295 303 D HA 0.399 5.038 4.640 -0.001 0.000 0.248 303 D C -1.488 174.775 176.300 -0.061 0.000 1.154 303 D CA -1.791 52.166 54.000 -0.072 0.000 0.857 303 D CB 1.287 42.057 40.800 -0.049 0.000 1.117 303 D HN 0.097 nan 8.370 nan 0.000 0.468 304 P HA -0.113 nan 4.420 nan 0.000 0.222 304 P C 0.840 178.128 177.300 -0.021 0.000 1.147 304 P CA 0.674 63.755 63.100 -0.031 0.000 0.790 304 P CB 0.181 31.875 31.700 -0.011 0.000 0.780 305 A N 0.080 122.887 122.820 -0.021 0.000 2.119 305 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 305 A C 2.036 179.609 177.584 -0.019 0.000 1.153 305 A CA 0.849 52.877 52.037 -0.016 0.000 0.692 305 A CB -0.765 18.227 19.000 -0.013 0.000 0.799 305 A HN 0.126 nan 8.150 nan 0.000 0.458 306 R N -0.414 120.071 120.500 -0.026 0.000 2.552 306 R HA 0.091 4.431 4.340 -0.001 0.000 0.314 306 R C 1.532 177.815 176.300 -0.028 0.000 1.041 306 R CA 0.386 56.470 56.100 -0.026 0.000 1.076 306 R CB 0.215 30.497 30.300 -0.029 0.000 1.290 306 R HN 0.697 nan 8.270 nan 0.000 0.563 307 K N -0.207 120.177 120.400 -0.027 0.000 2.152 307 K HA -0.091 4.228 4.320 -0.001 0.000 0.206 307 K C 1.689 178.275 176.600 -0.024 0.000 1.048 307 K CA 1.791 58.063 56.287 -0.026 0.000 0.933 307 K CB -0.205 32.282 32.500 -0.022 0.000 0.721 307 K HN 0.170 nan 8.250 nan 0.000 0.447 308 G N 2.206 110.991 108.800 -0.025 0.000 2.402 308 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.216 308 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.216 308 G C 1.472 176.355 174.900 -0.029 0.000 1.162 308 G CA 0.839 45.922 45.100 -0.029 0.000 0.777 308 G HN 0.697 nan 8.290 nan 0.000 0.539 309 E N 0.310 120.495 120.200 -0.025 0.000 2.158 309 E HA -0.004 4.345 4.350 -0.001 0.000 0.191 309 E C 2.391 178.980 176.600 -0.019 0.000 0.982 309 E CA 0.758 57.145 56.400 -0.023 0.000 0.823 309 E CB -0.385 29.303 29.700 -0.021 0.000 0.766 309 E HN 0.248 nan 8.360 nan 0.000 0.468 310 V N 1.810 121.713 119.914 -0.019 0.000 2.261 310 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 310 V C 2.479 178.577 176.094 0.007 0.000 1.047 310 V CA 1.802 64.095 62.300 -0.011 0.000 1.015 310 V CB -0.591 31.219 31.823 -0.023 0.000 0.642 310 V HN 0.230 nan 8.190 nan 0.000 0.446 311 L N 0.862 122.085 121.223 -0.000 0.000 2.012 311 L HA -0.125 4.214 4.340 -0.001 0.000 0.210 311 L C 2.441 179.287 176.870 -0.040 0.000 1.073 311 L CA 2.497 57.334 54.840 -0.006 0.000 0.748 311 L CB -1.009 41.025 42.059 -0.042 0.000 0.891 311 L HN 0.228 nan 8.230 nan 0.000 0.431 312 A N -1.068 121.725 122.820 -0.044 0.000 1.883 312 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 312 A C 2.262 179.833 177.584 -0.022 0.000 1.186 312 A CA 2.164 54.174 52.037 -0.047 0.000 0.624 312 A CB -1.202 17.775 19.000 -0.039 0.000 0.822 312 A HN 0.331 nan 8.150 nan 0.000 0.444 313 V N -0.213 119.697 119.914 -0.007 0.000 2.295 313 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 313 V C 2.504 178.614 176.094 0.028 0.000 1.049 313 V CA 2.011 64.313 62.300 0.005 0.000 1.024 313 V CB -0.890 30.935 31.823 0.003 0.000 0.648 313 V HN 0.603 nan 8.190 nan 0.000 0.447 314 L N 0.038 121.298 121.223 0.061 0.000 2.042 314 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 314 L C 2.459 179.420 176.870 0.152 0.000 1.076 314 L CA 2.019 56.938 54.840 0.131 0.000 0.749 314 L CB -0.758 41.435 42.059 0.223 0.000 0.893 314 L HN 0.369 nan 8.230 nan 0.000 0.432 315 Q N -0.728 119.131 119.800 0.098 0.000 2.046 315 Q HA -0.217 4.122 4.340 -0.001 0.000 0.200 315 Q C 2.150 178.166 176.000 0.027 0.000 0.975 315 Q CA 1.892 57.731 55.803 0.060 0.000 0.836 315 Q CB -0.184 28.491 28.738 -0.104 0.000 0.896 315 Q HN 0.629 nan 8.270 nan 0.000 0.428 316 E N 0.416 120.617 120.200 0.000 0.000 2.110 316 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 316 E C 2.004 178.595 176.600 -0.015 0.000 0.988 316 E CA 0.766 57.159 56.400 -0.011 0.000 0.804 316 E CB 0.104 29.795 29.700 -0.016 0.000 0.745 316 E HN 0.251 nan 8.360 nan 0.000 0.458 317 E N 0.613 120.807 120.200 -0.009 0.000 2.058 317 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 317 E C 2.246 178.804 176.600 -0.070 0.000 0.997 317 E CA 0.923 57.303 56.400 -0.034 0.000 0.801 317 E CB -0.189 29.493 29.700 -0.029 0.000 0.746 317 E HN 0.338 nan 8.360 nan 0.000 0.450 318 L N 0.546 121.732 121.223 -0.061 0.000 2.056 318 L HA -0.168 4.172 4.340 -0.001 0.000 0.207 318 L C 2.374 179.193 176.870 -0.085 0.000 1.078 318 L CA 1.235 56.006 54.840 -0.115 0.000 0.749 318 L CB -0.454 41.548 42.059 -0.094 0.000 0.901 318 L HN 0.063 nan 8.230 nan 0.000 0.433 319 D N 0.380 120.757 120.400 -0.039 0.000 2.097 319 D HA -0.233 4.407 4.640 -0.001 0.000 0.195 319 D C 2.319 178.593 176.300 -0.044 0.000 0.989 319 D CA 1.230 55.209 54.000 -0.034 0.000 0.827 319 D CB 0.050 40.838 40.800 -0.019 0.000 0.966 319 D HN 0.041 nan 8.370 nan 0.000 0.456 320 R N -0.434 120.039 120.500 -0.045 0.000 2.083 320 R HA -0.164 4.175 4.340 -0.001 0.000 0.237 320 R C 2.269 178.535 176.300 -0.057 0.000 1.137 320 R CA 1.209 57.282 56.100 -0.045 0.000 0.951 320 R CB -0.542 29.733 30.300 -0.041 0.000 0.851 320 R HN 0.262 nan 8.270 nan 0.000 0.434 321 L N 0.552 121.728 121.223 -0.079 0.000 2.012 321 L HA -0.047 4.292 4.340 -0.001 0.000 0.210 321 L C 2.254 179.074 176.870 -0.083 0.000 1.073 321 L CA 2.440 57.222 54.840 -0.096 0.000 0.748 321 L CB -1.173 40.797 42.059 -0.149 0.000 0.891 321 L HN 0.350 nan 8.230 nan 0.000 0.431 322 G N -1.291 107.459 108.800 -0.082 0.000 2.448 322 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.219 322 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.219 322 G C 1.840 176.714 174.900 -0.044 0.000 1.127 322 G CA 0.774 45.836 45.100 -0.063 0.000 0.766 322 G HN 0.423 nan 8.290 nan 0.000 0.552 323 R N 0.223 120.698 120.500 -0.042 0.000 2.075 323 R HA 0.100 4.439 4.340 -0.001 0.000 0.220 323 R C 2.330 178.611 176.300 -0.031 0.000 1.118 323 R CA 1.370 57.451 56.100 -0.032 0.000 0.986 323 R CB -0.232 30.050 30.300 -0.029 0.000 0.884 323 R HN 0.446 nan 8.270 nan 0.000 0.439 324 E N -0.276 119.903 120.200 -0.035 0.000 2.276 324 E HA 0.076 4.426 4.350 -0.001 0.000 0.193 324 E C 0.376 176.955 176.600 -0.034 0.000 0.983 324 E CA 0.665 57.045 56.400 -0.033 0.000 0.861 324 E CB 0.273 29.952 29.700 -0.035 0.000 0.817 324 E HN 0.420 nan 8.360 nan 0.000 0.485 325 G N 0.635 109.411 108.800 -0.041 0.000 2.796 325 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.226 325 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.226 325 G C -0.113 174.762 174.900 -0.042 0.000 1.381 325 G CA -0.170 44.906 45.100 -0.040 0.000 0.867 325 G HN 0.754 nan 8.290 nan 0.000 0.552 326 V N -1.546 118.345 119.914 -0.038 0.000 2.769 326 V HA 1.003 5.122 4.120 -0.001 0.000 0.312 326 V C 0.945 177.023 176.094 -0.027 0.000 1.058 326 V CA 0.336 62.614 62.300 -0.036 0.000 0.952 326 V CB 1.496 33.297 31.823 -0.037 0.000 1.019 326 V HN 2.300 nan 8.190 nan 0.000 0.445 327 G N 0.680 109.465 108.800 -0.026 0.000 2.491 327 G HA2 0.460 4.419 3.960 -0.001 0.000 0.327 327 G HA3 0.460 4.419 3.960 -0.001 0.000 0.327 327 G C 0.246 175.135 174.900 -0.019 0.000 1.189 327 G CA -0.376 44.711 45.100 -0.022 0.000 0.956 327 G HN 0.773 nan 8.290 nan 0.000 0.491 328 E N -0.086 120.103 120.200 -0.017 0.000 2.110 328 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 328 E C 2.170 178.759 176.600 -0.017 0.000 0.988 328 E CA 1.186 57.577 56.400 -0.016 0.000 0.804 328 E CB 0.124 29.815 29.700 -0.015 0.000 0.745 328 E HN 0.697 nan 8.360 nan 0.000 0.458 329 E N 0.610 120.799 120.200 -0.019 0.000 2.028 329 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 329 E C 2.147 178.737 176.600 -0.018 0.000 0.988 329 E CA 0.816 57.204 56.400 -0.019 0.000 0.799 329 E CB -0.087 29.601 29.700 -0.021 0.000 0.755 329 E HN 0.272 nan 8.360 nan 0.000 0.447 330 E N 0.762 120.951 120.200 -0.019 0.000 2.058 330 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 330 E C 2.193 178.788 176.600 -0.009 0.000 0.997 330 E CA 1.307 57.698 56.400 -0.015 0.000 0.801 330 E CB 0.094 29.782 29.700 -0.020 0.000 0.746 330 E HN 0.026 nan 8.360 nan 0.000 0.450 331 V N 1.745 121.652 119.914 -0.012 0.000 2.282 331 V HA -0.266 3.853 4.120 -0.001 0.000 0.249 331 V C 2.355 178.442 176.094 -0.013 0.000 1.057 331 V CA 2.105 64.400 62.300 -0.009 0.000 1.032 331 V CB -0.529 31.288 31.823 -0.010 0.000 0.645 331 V HN 0.298 nan 8.190 nan 0.000 0.447 332 E N -0.034 120.157 120.200 -0.016 0.000 2.110 332 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 332 E C 2.381 178.969 176.600 -0.020 0.000 0.988 332 E CA 1.086 57.474 56.400 -0.021 0.000 0.804 332 E CB -0.316 29.371 29.700 -0.022 0.000 0.745 332 E HN 0.592 nan 8.360 nan 0.000 0.458 333 R N 0.464 120.957 120.500 -0.012 0.000 2.073 333 R HA -0.027 4.312 4.340 -0.001 0.000 0.234 333 R C 2.375 178.675 176.300 0.001 0.000 1.134 333 R CA 1.233 57.331 56.100 -0.004 0.000 0.952 333 R CB -0.416 29.887 30.300 0.005 0.000 0.850 333 R HN 0.111 nan 8.270 nan 0.000 0.433 334 A N 1.680 124.505 122.820 0.008 0.000 1.978 334 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 334 A C 1.909 179.485 177.584 -0.013 0.000 1.170 334 A CA 1.450 53.499 52.037 0.021 0.000 0.636 334 A CB -0.285 18.736 19.000 0.036 0.000 0.810 334 A HN 0.228 nan 8.150 nan 0.000 0.448 335 K N -0.868 119.511 120.400 -0.036 0.000 2.148 335 K HA -0.076 4.243 4.320 -0.001 0.000 0.204 335 K C 2.040 178.582 176.600 -0.096 0.000 1.050 335 K CA 1.502 57.745 56.287 -0.073 0.000 0.942 335 K CB -0.325 32.138 32.500 -0.061 0.000 0.724 335 K HN 0.513 nan 8.250 nan 0.000 0.446 336 T N 1.551 116.063 114.554 -0.071 0.000 2.607 336 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 336 T C -1.020 173.615 174.700 -0.108 0.000 1.049 336 T CA 1.471 63.523 62.100 -0.080 0.000 1.162 336 T CB -1.044 67.795 68.868 -0.049 0.000 0.863 336 T HN 0.150 nan 8.240 nan 0.000 0.424 337 P HA 0.000 nan 4.420 nan 0.000 0.217 337 P C 1.651 178.862 177.300 -0.148 0.000 1.150 337 P CA 0.502 63.553 63.100 -0.081 0.000 0.832 337 P CB -0.170 31.529 31.700 -0.002 0.000 0.787 338 L N 0.017 121.107 121.223 -0.221 0.000 2.005 338 L HA -0.055 4.284 4.340 -0.001 0.000 0.207 338 L C 2.245 178.961 176.870 -0.256 0.000 1.072 338 L CA 2.226 56.840 54.840 -0.376 0.000 0.744 338 L CB -1.637 40.085 42.059 -0.562 0.000 0.895 338 L HN -0.108 nan 8.230 nan 0.000 0.433 339 A N -1.635 121.059 122.820 -0.210 0.000 1.930 339 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 339 A C 2.217 179.653 177.584 -0.246 0.000 1.175 339 A CA 2.107 54.029 52.037 -0.191 0.000 0.627 339 A CB -1.169 17.739 19.000 -0.154 0.000 0.815 339 A HN 0.538 nan 8.150 nan 0.000 0.443 340 T N -0.173 114.202 114.554 -0.298 0.000 2.708 340 T HA -0.044 4.305 4.350 -0.001 0.000 0.266 340 T C 1.997 176.322 174.700 -0.626 0.000 1.037 340 T CA 1.422 63.208 62.100 -0.523 0.000 1.146 340 T CB -0.683 67.878 68.868 -0.511 0.000 0.865 340 T HN 0.568 nan 8.240 nan 0.000 0.435 341 G N 1.313 109.911 108.800 -0.337 0.000 2.442 341 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.219 341 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.219 341 G C 1.488 176.323 174.900 -0.109 0.000 1.141 341 G CA 0.495 45.500 45.100 -0.158 0.000 0.763 341 G HN 0.441 nan 8.290 nan 0.000 0.554 342 L N 0.089 121.221 121.223 -0.152 0.000 2.093 342 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 342 L C 2.946 179.759 176.870 -0.096 0.000 1.085 342 L CA 0.340 55.105 54.840 -0.125 0.000 0.755 342 L CB -0.393 41.578 42.059 -0.147 0.000 0.904 342 L HN 0.087 nan 8.230 nan 0.000 0.435 343 V N -0.766 119.069 119.914 -0.133 0.000 2.358 343 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 343 V C 2.333 178.497 176.094 0.116 0.000 1.047 343 V CA 1.551 63.819 62.300 -0.055 0.000 1.035 343 V CB -0.541 31.215 31.823 -0.111 0.000 0.658 343 V HN 0.225 nan 8.190 nan 0.000 0.452 344 F N 0.933 120.872 119.950 -0.018 0.000 2.216 344 F HA -0.107 4.419 4.527 -0.001 0.000 0.300 344 F C 2.402 178.201 175.800 -0.001 0.000 1.085 344 F CA 0.873 58.869 58.000 -0.007 0.000 1.326 344 F CB -1.432 37.564 39.000 -0.006 0.000 1.027 344 F HN 0.153 nan 8.300 nan 0.000 0.497 345 A N -0.032 122.889 122.820 0.168 0.000 1.929 345 A HA 0.055 4.374 4.320 -0.001 0.000 0.216 345 A C 2.511 180.146 177.584 0.085 0.000 1.176 345 A CA 1.421 53.514 52.037 0.095 0.000 0.628 345 A CB -1.386 17.637 19.000 0.039 0.000 0.816 345 A HN 0.347 nan 8.150 nan 0.000 0.444 346 G N -0.772 108.068 108.800 0.067 0.000 2.776 346 G HA2 0.019 3.978 3.960 -0.001 0.000 0.209 346 G HA3 0.019 3.978 3.960 -0.001 0.000 0.209 346 G C 1.119 176.075 174.900 0.093 0.000 1.145 346 G CA 0.663 45.805 45.100 0.069 0.000 0.791 346 G HN 0.666 nan 8.290 nan 0.000 0.530 347 E N -0.600 119.664 120.200 0.106 0.000 2.340 347 E HA 0.019 4.369 4.350 -0.001 0.000 0.194 347 E C 0.765 177.415 176.600 0.083 0.000 0.996 347 E CA 0.171 56.628 56.400 0.095 0.000 0.869 347 E CB 0.433 30.193 29.700 0.099 0.000 0.835 347 E HN 0.221 nan 8.360 nan 0.000 0.493 348 T N 2.273 116.881 114.554 0.090 0.000 2.753 348 T HA 0.270 4.619 4.350 -0.001 0.000 0.297 348 T C -2.600 172.176 174.700 0.126 0.000 0.981 348 T CA -2.818 59.337 62.100 0.091 0.000 0.956 348 T CB 0.949 69.859 68.868 0.071 0.000 0.936 348 T HN -0.253 nan 8.240 nan 0.000 0.463 352 R N 1.291 121.929 120.500 0.230 0.000 2.081 352 R HA -0.105 4.234 4.340 -0.001 0.000 0.235 352 R C 2.133 178.597 176.300 0.274 0.000 1.131 352 R CA 1.593 57.829 56.100 0.227 0.000 0.960 352 R CB -0.077 30.333 30.300 0.184 0.000 0.856 352 R HN 0.195 nan 8.270 nan 0.000 0.436 353 L N 0.206 121.604 121.223 0.293 0.000 2.027 353 L HA -0.094 4.245 4.340 -0.001 0.000 0.206 353 L C 2.044 179.117 176.870 0.339 0.000 1.074 353 L CA 1.688 56.712 54.840 0.307 0.000 0.745 353 L CB -0.726 41.552 42.059 0.365 0.000 0.898 353 L HN 0.219 nan 8.230 nan 0.000 0.433 354 F N -0.225 119.831 119.950 0.176 0.000 2.087 354 F HA -0.344 4.182 4.527 -0.002 0.000 0.299 354 F C 2.736 178.636 175.800 0.168 0.000 1.100 354 F CA 2.386 60.431 58.000 0.076 0.000 1.226 354 F CB -0.468 38.442 39.000 -0.149 0.000 0.983 354 F HN 0.399 nan 8.300 nan 0.000 0.479 355 H N 0.214 119.397 119.070 0.187 0.000 2.363 355 H HA -0.129 4.426 4.556 -0.002 0.000 0.301 355 H C 2.264 177.593 175.328 0.002 0.000 1.074 355 H CA 1.711 57.806 56.048 0.078 0.000 1.354 355 H CB -0.510 29.331 29.762 0.132 0.000 1.397 355 H HN 0.466 nan 8.280 nan 0.000 0.516 356 L N 1.519 122.788 121.223 0.075 0.000 2.012 356 L HA 0.064 4.403 4.340 -0.001 0.000 0.210 356 L C 1.481 178.241 176.870 -0.185 0.000 1.073 356 L CA 1.666 56.524 54.840 0.030 0.000 0.748 356 L CB -0.990 41.189 42.059 0.201 0.000 0.891 356 L HN 0.231 nan 8.230 nan 0.000 0.431 360 Y N 2.258 122.502 120.300 -0.093 0.000 2.181 360 Y HA -0.118 4.431 4.550 -0.002 0.000 0.288 360 Y C 2.447 178.326 175.900 -0.034 0.000 1.146 360 Y CA 1.946 60.021 58.100 -0.042 0.000 1.164 360 Y CB -0.003 38.438 38.460 -0.031 0.000 0.982 360 Y HN 0.099 nan 8.280 nan 0.000 0.515 361 L N -0.809 120.472 121.223 0.096 0.000 2.013 361 L HA -0.287 4.052 4.340 -0.001 0.000 0.212 361 L C 1.866 178.707 176.870 -0.049 0.000 1.073 361 L CA 1.994 56.853 54.840 0.031 0.000 0.753 361 L CB -0.966 41.102 42.059 0.014 0.000 0.890 361 L HN 0.262 nan 8.230 nan 0.000 0.432 362 Y N -0.947 119.228 120.300 -0.209 0.000 2.243 362 Y HA -0.103 4.447 4.550 -0.001 0.000 0.293 362 Y C 2.528 178.329 175.900 -0.165 0.000 1.124 362 Y CA 1.672 59.619 58.100 -0.255 0.000 1.159 362 Y CB -0.504 37.619 38.460 -0.562 0.000 1.008 362 Y HN 0.409 nan 8.280 nan 0.000 0.527 363 T N -5.419 109.134 114.554 -0.001 0.000 2.975 363 T HA 0.345 4.694 4.350 -0.001 0.000 0.257 363 T C 1.646 176.229 174.700 -0.195 0.000 1.003 363 T CA 0.366 62.433 62.100 -0.055 0.000 0.932 363 T CB 0.159 69.025 68.868 -0.003 0.000 1.087 363 T HN 0.361 nan 8.240 nan 0.000 0.512 364 G N 1.880 110.448 108.800 -0.388 0.000 2.187 364 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.261 364 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.261 364 G C 0.031 174.430 174.900 -0.834 0.000 1.000 364 G CA 0.302 44.936 45.100 -0.777 0.000 0.718 364 G HN 0.724 nan 8.290 nan 0.000 0.519 365 R N -1.414 118.782 120.500 -0.507 0.000 2.803 365 R HA 0.516 4.856 4.340 -0.001 0.000 0.276 365 R C -0.867 175.436 176.300 0.004 0.000 0.978 365 R CA -1.046 54.941 56.100 -0.187 0.000 0.939 365 R CB 1.398 31.639 30.300 -0.098 0.000 1.179 365 R HN 0.161 nan 8.270 nan 0.000 0.472 366 Y N 2.715 122.906 120.300 -0.182 0.000 2.365 366 Y HA 0.377 4.926 4.550 -0.002 0.000 0.340 366 Y C -1.211 174.546 175.900 -0.240 0.000 1.016 366 Y CA -0.871 56.983 58.100 -0.410 0.000 1.196 366 Y CB 0.548 38.220 38.460 -1.314 0.000 1.167 366 Y HN 0.381 nan 8.280 nan 0.000 0.509 367 L N 7.374 128.317 121.223 -0.467 0.000 2.427 367 L HA 0.436 4.775 4.340 -0.001 0.000 0.264 367 L C -0.500 176.134 176.870 -0.392 0.000 0.989 367 L CA -0.412 54.174 54.840 -0.424 0.000 0.865 367 L CB 0.933 42.931 42.059 -0.102 0.000 1.209 367 L HN 0.713 nan 8.230 nan 0.000 0.430 368 S N 3.423 118.706 115.700 -0.694 0.000 2.573 368 S HA 0.175 4.645 4.470 -0.001 0.000 0.277 368 S C 1.348 175.893 174.600 -0.090 0.000 1.346 368 S CA -0.490 57.535 58.200 -0.291 0.000 1.034 368 S CB 0.672 63.718 63.200 -0.257 0.000 0.879 368 S HN 0.680 nan 8.310 nan 0.000 0.528 369 L N 0.707 121.889 121.223 -0.069 0.000 2.349 369 L HA -0.098 4.241 4.340 -0.001 0.000 0.220 369 L C 2.184 178.972 176.870 -0.136 0.000 1.130 369 L CA 1.250 55.964 54.840 -0.210 0.000 0.791 369 L CB -0.505 41.414 42.059 -0.233 0.000 0.918 369 L HN 0.709 nan 8.230 nan 0.000 0.444 370 E N -1.051 119.090 120.200 -0.098 0.000 2.340 370 E HA -0.140 4.209 4.350 -0.001 0.000 0.194 370 E C 1.887 178.415 176.600 -0.119 0.000 0.996 370 E CA 0.199 56.545 56.400 -0.090 0.000 0.869 370 E CB 0.164 29.834 29.700 -0.050 0.000 0.835 370 E HN 0.220 nan 8.360 nan 0.000 0.493 371 E N 0.345 120.455 120.200 -0.149 0.000 2.107 371 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 371 E C 1.747 178.217 176.600 -0.218 0.000 0.982 371 E CA 0.684 56.972 56.400 -0.187 0.000 0.809 371 E CB -0.056 29.511 29.700 -0.222 0.000 0.756 371 E HN 0.056 nan 8.360 nan 0.000 0.459 372 V N 1.494 121.321 119.914 -0.145 0.000 2.255 372 V HA -0.290 3.829 4.120 -0.001 0.000 0.247 372 V C 2.545 178.558 176.094 -0.135 0.000 1.051 372 V CA 2.274 64.527 62.300 -0.079 0.000 1.018 372 V CB -0.655 31.174 31.823 0.011 0.000 0.641 372 V HN 0.334 nan 8.190 nan 0.000 0.445 373 K N 0.408 120.729 120.400 -0.132 0.000 2.009 373 K HA -0.227 4.092 4.320 -0.001 0.000 0.210 373 K C 2.228 178.740 176.600 -0.147 0.000 1.049 373 K CA 1.846 58.056 56.287 -0.130 0.000 0.929 373 K CB -0.417 32.011 32.500 -0.120 0.000 0.714 373 K HN 0.404 nan 8.250 nan 0.000 0.440 374 A N 1.639 124.363 122.820 -0.159 0.000 1.908 374 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 374 A C 2.148 179.603 177.584 -0.216 0.000 1.181 374 A CA 1.637 53.576 52.037 -0.163 0.000 0.627 374 A CB -0.504 18.406 19.000 -0.151 0.000 0.818 374 A HN 0.391 nan 8.150 nan 0.000 0.445 375 R N -0.974 119.320 120.500 -0.343 0.000 2.092 375 R HA -0.037 4.302 4.340 -0.001 0.000 0.231 375 R C 2.032 178.141 176.300 -0.319 0.000 1.119 375 R CA 1.261 57.061 56.100 -0.500 0.000 0.970 375 R CB -0.516 29.085 30.300 -1.165 0.000 0.864 375 R HN 0.388 nan 8.270 nan 0.000 0.440 376 V N 1.429 121.220 119.914 -0.206 0.000 2.343 376 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 376 V C 2.198 178.248 176.094 -0.073 0.000 1.051 376 V CA 1.749 64.012 62.300 -0.061 0.000 1.036 376 V CB -0.380 31.422 31.823 -0.036 0.000 0.654 376 V HN 0.380 nan 8.190 nan 0.000 0.451 377 Q N -0.709 119.032 119.800 -0.098 0.000 2.230 377 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 377 Q C 2.363 178.321 176.000 -0.070 0.000 0.963 377 Q CA 0.990 56.744 55.803 -0.081 0.000 0.866 377 Q CB -0.120 28.567 28.738 -0.085 0.000 0.931 377 Q HN 0.584 nan 8.270 nan 0.000 0.452 378 R N 0.121 120.570 120.500 -0.084 0.000 2.189 378 R HA 0.027 4.367 4.340 -0.001 0.000 0.218 378 R C 0.488 176.761 176.300 -0.044 0.000 1.074 378 R CA 0.021 56.079 56.100 -0.069 0.000 0.991 378 R CB 0.048 30.293 30.300 -0.091 0.000 0.883 378 R HN -0.002 nan 8.270 nan 0.000 0.457 379 V N 2.591 122.485 119.914 -0.034 0.000 2.644 379 V HA -0.090 4.030 4.120 -0.001 0.000 0.305 379 V C 0.853 176.943 176.094 -0.006 0.000 1.053 379 V CA 0.621 62.919 62.300 -0.003 0.000 1.186 379 V CB 0.686 32.521 31.823 0.020 0.000 0.895 379 V HN 0.384 nan 8.190 nan 0.000 0.490 380 T N 0.918 115.473 114.554 0.001 0.000 2.952 380 T HA 0.350 4.699 4.350 -0.001 0.000 0.286 380 T C 1.277 175.978 174.700 0.002 0.000 1.024 380 T CA -0.051 62.047 62.100 -0.002 0.000 1.029 380 T CB 1.605 70.472 68.868 -0.002 0.000 1.094 380 T HN 0.759 nan 8.240 nan 0.000 0.515 381 S N 0.846 116.544 115.700 -0.003 0.000 2.399 381 S HA -0.203 4.266 4.470 -0.001 0.000 0.231 381 S C 2.037 176.637 174.600 0.000 0.000 1.022 381 S CA 0.856 59.054 58.200 -0.004 0.000 0.983 381 S CB -0.685 62.509 63.200 -0.010 0.000 0.803 381 S HN 0.791 nan 8.310 nan 0.000 0.480 382 R N 1.681 122.182 120.500 0.003 0.000 2.091 382 R HA -0.058 4.281 4.340 -0.001 0.000 0.238 382 R C 2.205 178.516 176.300 0.018 0.000 1.136 382 R CA 2.043 58.148 56.100 0.008 0.000 0.959 382 R CB -0.645 29.659 30.300 0.007 0.000 0.856 382 R HN 0.656 nan 8.270 nan 0.000 0.437 383 E N -0.688 119.525 120.200 0.023 0.000 2.110 383 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 383 E C 1.925 178.552 176.600 0.045 0.000 0.988 383 E CA 1.502 57.925 56.400 0.039 0.000 0.804 383 E CB 0.015 29.740 29.700 0.042 0.000 0.745 383 E HN 0.160 nan 8.360 nan 0.000 0.458 384 V N 1.684 121.616 119.914 0.030 0.000 2.295 384 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 384 V C 1.735 177.839 176.094 0.017 0.000 1.049 384 V CA 2.061 64.374 62.300 0.022 0.000 1.024 384 V CB -0.641 31.184 31.823 0.004 0.000 0.648 384 V HN 0.285 nan 8.190 nan 0.000 0.447 385 N N 0.366 119.072 118.700 0.010 0.000 2.166 385 N HA -0.152 4.588 4.740 -0.001 0.000 0.186 385 N C 1.882 177.408 175.510 0.026 0.000 1.019 385 N CA 1.210 54.263 53.050 0.006 0.000 0.856 385 N CB -0.315 38.172 38.487 -0.001 0.000 0.993 385 N HN 0.492 nan 8.380 nan 0.000 0.426 386 A N 0.735 123.580 122.820 0.041 0.000 1.969 386 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 386 A C 2.073 179.720 177.584 0.104 0.000 1.169 386 A CA 0.860 52.932 52.037 0.059 0.000 0.635 386 A CB -0.491 18.543 19.000 0.058 0.000 0.810 386 A HN 0.169 nan 8.150 nan 0.000 0.445 387 L N -0.372 120.930 121.223 0.132 0.000 2.017 387 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 387 L C 2.394 179.428 176.870 0.274 0.000 1.073 387 L CA 1.637 56.626 54.840 0.248 0.000 0.745 387 L CB -0.541 41.614 42.059 0.159 0.000 0.894 387 L HN 0.406 nan 8.230 nan 0.000 0.432 388 L N -0.986 120.307 121.223 0.116 0.000 2.131 388 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 388 L C 2.350 179.242 176.870 0.037 0.000 1.092 388 L CA 1.266 56.137 54.840 0.053 0.000 0.759 388 L CB -0.555 41.491 42.059 -0.022 0.000 0.903 388 L HN 0.324 nan 8.230 nan 0.000 0.435 389 E N -0.201 120.021 120.200 0.036 0.000 2.268 389 E HA -0.169 4.180 4.350 -0.001 0.000 0.195 389 E C 2.122 178.718 176.600 -0.007 0.000 0.995 389 E CA 0.558 56.965 56.400 0.011 0.000 0.836 389 E CB 0.022 29.730 29.700 0.015 0.000 0.763 389 E HN 0.420 nan 8.360 nan 0.000 0.491 390 R N -0.548 119.951 120.500 -0.002 0.000 2.307 390 R HA 0.021 4.360 4.340 -0.001 0.000 0.199 390 R C 1.192 177.364 176.300 -0.213 0.000 1.000 390 R CA 0.581 56.614 56.100 -0.112 0.000 1.023 390 R CB 0.259 30.470 30.300 -0.149 0.000 0.908 390 R HN 0.237 nan 8.270 nan 0.000 0.473 391 G N 0.071 108.802 108.800 -0.115 0.000 2.141 391 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.242 391 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.242 391 G C 0.542 175.398 174.900 -0.074 0.000 0.982 391 G CA -0.033 45.008 45.100 -0.099 0.000 0.662 391 G HN 0.259 nan 8.290 nan 0.000 0.527 392 F N 0.114 120.082 119.950 0.032 0.000 2.147 392 F HA -0.033 4.492 4.527 -0.002 0.000 0.301 392 F C 2.485 178.312 175.800 0.045 0.000 1.084 392 F CA 2.183 60.237 58.000 0.091 0.000 1.268 392 F CB -0.143 38.929 39.000 0.121 0.000 1.009 392 F HN 0.320 nan 8.300 nan 0.000 0.486 393 L N -0.403 120.843 121.223 0.040 0.000 2.808 393 L HA 0.131 4.470 4.340 -0.001 0.000 0.246 393 L C 1.806 178.655 176.870 -0.035 0.000 1.153 393 L CA 0.020 54.732 54.840 -0.214 0.000 0.956 393 L CB -0.339 41.392 42.059 -0.546 0.000 1.270 393 L HN 0.189 nan 8.230 nan 0.000 0.528 394 E N 0.951 121.163 120.200 0.020 0.000 2.216 394 E HA -0.044 4.306 4.350 -0.001 0.000 0.192 394 E C 0.087 176.713 176.600 0.043 0.000 0.988 394 E CA 0.554 56.967 56.400 0.021 0.000 0.834 394 E CB 0.198 29.885 29.700 -0.022 0.000 0.772 394 E HN 0.351 nan 8.360 nan 0.000 0.479 395 K N 0.419 120.804 120.400 -0.025 0.000 2.443 395 K HA 0.612 4.931 4.320 -0.001 0.000 0.252 395 K C -0.654 175.825 176.600 -0.201 0.000 0.933 395 K CA -0.548 55.575 56.287 -0.273 0.000 0.792 395 K CB 2.327 34.290 32.500 -0.895 0.000 1.185 395 K HN 0.129 nan 8.250 nan 0.000 0.425 396 G N 1.248 110.057 108.800 0.014 0.000 2.694 396 G HA2 0.540 4.499 3.960 -0.001 0.000 0.290 396 G HA3 0.540 4.499 3.960 -0.001 0.000 0.290 396 G C -1.990 173.006 174.900 0.159 0.000 1.386 396 G CA -0.805 44.185 45.100 -0.183 0.000 0.872 396 G HN 0.404 nan 8.290 nan 0.000 0.475 397 L N 0.642 121.901 121.223 0.061 0.000 2.257 397 L HA 0.614 4.953 4.340 -0.001 0.000 0.290 397 L C -1.289 175.523 176.870 -0.096 0.000 1.044 397 L CA -0.726 54.206 54.840 0.154 0.000 0.810 397 L CB 0.246 42.462 42.059 0.262 0.000 1.193 397 L HN 0.466 nan 8.230 nan 0.000 0.425 398 Y N 5.130 125.452 120.300 0.037 0.000 2.353 398 Y HA 0.338 4.887 4.550 -0.002 0.000 0.340 398 Y C -0.888 175.062 175.900 0.083 0.000 0.972 398 Y CA -0.088 58.030 58.100 0.030 0.000 1.157 398 Y CB 0.961 39.436 38.460 0.025 0.000 1.157 398 Y HN 0.495 nan 8.280 nan 0.000 0.495 399 Y N 4.265 124.612 120.300 0.078 0.000 2.326 399 Y HA 0.544 5.093 4.550 -0.002 0.000 0.331 399 Y C -1.600 174.353 175.900 0.089 0.000 0.962 399 Y CA -1.244 56.905 58.100 0.081 0.000 1.167 399 Y CB 0.801 39.298 38.460 0.062 0.000 1.148 399 Y HN 0.498 nan 8.280 nan 0.000 0.463 400 L N 6.793 127.985 121.223 -0.052 0.000 2.276 400 L HA 0.477 4.816 4.340 -0.001 0.000 0.286 400 L C -0.779 176.151 176.870 0.101 0.000 1.024 400 L CA -0.483 54.386 54.840 0.049 0.000 0.826 400 L CB 1.355 43.409 42.059 -0.009 0.000 1.211 400 L HN 0.361 nan 8.230 nan 0.000 0.422 401 V N 5.410 125.491 119.914 0.278 0.000 2.370 401 V HA 0.596 4.716 4.120 -0.001 0.000 0.279 401 V C -0.069 176.209 176.094 0.306 0.000 1.029 401 V CA -0.465 62.042 62.300 0.345 0.000 0.870 401 V CB 1.328 33.430 31.823 0.465 0.000 0.984 401 V HN 0.578 nan 8.190 nan 0.000 0.451 402 L N 4.676 126.027 121.223 0.213 0.000 2.403 402 L HA 0.845 5.184 4.340 -0.001 0.000 0.253 402 L C -2.902 174.038 176.870 0.116 0.000 1.045 402 L CA -2.408 52.522 54.840 0.150 0.000 0.845 402 L CB 1.052 43.149 42.059 0.062 0.000 1.447 402 L HN 0.238 nan 8.230 nan 0.000 0.411 403 P HA 0.196 nan 4.420 nan 0.000 0.273 403 P C 0.190 177.495 177.300 0.008 0.000 1.250 403 P CA -0.202 62.939 63.100 0.068 0.000 0.793 403 P CB 0.345 32.096 31.700 0.085 0.000 1.011 404 H N 0.080 119.193 119.070 0.071 0.000 2.353 404 H HA -0.053 4.502 4.556 -0.001 0.000 0.300 404 H C 1.428 176.777 175.328 0.036 0.000 1.090 404 H CA 1.618 57.698 56.048 0.053 0.000 1.327 404 H CB -0.663 29.125 29.762 0.043 0.000 1.383 404 H HN 0.508 nan 8.280 nan 0.000 0.508 405 G N 0.000 108.887 108.800 0.145 0.000 5.446 405 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 405 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 405 G CA 0.000 45.150 45.100 0.083 0.000 0.502 405 G HN 0.000 nan 8.290 nan 0.000 0.925