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 2poz_1_F DATA FIRST_RESID 3 DATA SEQUENCE LKITGVNIYL LKSGRLHPVL VEISTDEGIT GAGEAGIAYG VGGTAAAGXI DATA SEQUENCE KDLSERFLIG KDPSRIEELW STXYDHSFWA KNGGAIIFAG ISAIEQALWD DATA SEQUENCE IKGKCLGVPV YELFGGKIRD RVRAYANGWY GAADTPDEFA RAVERPLKEG DATA SEQUENCE YGALKFYPLA QRVGSALQHV TRRSXSAEAI ELAYRRVKAV RDAAGPEIEL DATA SEQUENCE XVDLSGGLTT DETIRFCRKI GELDICFVEE PCDPFDNGAL KVISEQIPLP DATA SEQUENCE IAVGERVYTR FGFRKIFELQ ACGIIQPDIG TAGGLXETKK ICAXAEAYNX DATA SEQUENCE RVAPHVCGSS LIETATLQLE ANITNFXIHE HYPAFKADDG YVEVLENPPS DATA SEQUENCE ISSGYFEXPN GPGLGAVLIK RNIEPYLWAS CT 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.874 176.870 0.007 0.000 1.165 3 L CA 0.000 54.843 54.840 0.005 0.000 0.813 3 L CB 0.000 42.061 42.059 0.003 0.000 0.961 4 K N 1.548 121.955 120.400 0.011 0.000 2.427 4 K HA 0.616 4.936 4.320 0.000 0.000 0.252 4 K C -1.322 175.289 176.600 0.018 0.000 0.931 4 K CA -0.624 55.671 56.287 0.014 0.000 0.793 4 K CB 2.036 34.544 32.500 0.013 0.000 1.211 4 K HN 0.540 nan 8.250 nan 0.000 0.426 5 I N 4.039 124.622 120.570 0.022 0.000 2.471 5 I HA -0.008 4.163 4.170 0.000 0.000 0.286 5 I C 1.299 177.432 176.117 0.026 0.000 1.079 5 I CA 0.165 61.481 61.300 0.028 0.000 1.398 5 I CB 1.344 39.365 38.000 0.036 0.000 1.403 5 I HN 0.857 nan 8.210 nan 0.000 0.530 6 T N 1.018 115.588 114.554 0.025 0.000 2.971 6 T HA 0.370 4.720 4.350 0.000 0.000 0.252 6 T C 0.539 175.251 174.700 0.021 0.000 1.022 6 T CA -0.023 62.090 62.100 0.021 0.000 0.980 6 T CB 0.653 69.532 68.868 0.019 0.000 1.044 6 T HN 0.733 nan 8.240 nan 0.000 0.501 7 G N 0.082 108.899 108.800 0.028 0.000 2.632 7 G HA2 0.529 4.489 3.960 0.000 0.000 0.292 7 G HA3 0.529 4.489 3.960 0.000 0.000 0.292 7 G C -2.186 172.737 174.900 0.038 0.000 1.465 7 G CA -0.590 44.527 45.100 0.027 0.000 0.824 7 G HN 0.264 nan 8.290 nan 0.000 0.509 8 V N 0.966 120.899 119.914 0.032 0.000 2.569 8 V HA 0.436 4.556 4.120 0.000 0.000 0.301 8 V C -0.366 175.734 176.094 0.010 0.000 1.044 8 V CA -0.985 61.339 62.300 0.041 0.000 0.874 8 V CB 1.649 33.502 31.823 0.050 0.000 1.002 8 V HN 0.742 nan 8.190 nan 0.000 0.424 9 N N 4.154 122.854 118.700 -0.000 0.000 2.399 9 N HA 0.742 5.482 4.740 0.000 0.000 0.295 9 N C -1.190 174.184 175.510 -0.227 0.000 1.048 9 N CA -0.654 52.306 53.050 -0.151 0.000 0.886 9 N CB 2.177 40.561 38.487 -0.172 0.000 1.185 9 N HN 0.540 nan 8.380 nan 0.000 0.487 10 I N 2.586 122.974 120.570 -0.304 0.000 2.433 10 I HA 0.312 4.482 4.170 0.000 0.000 0.292 10 I C -1.175 174.778 176.117 -0.274 0.000 1.001 10 I CA -0.680 60.535 61.300 -0.142 0.000 1.119 10 I CB 0.986 39.038 38.000 0.086 0.000 1.289 10 I HN 0.408 nan 8.210 nan 0.000 0.438 11 Y N 6.179 126.563 120.300 0.140 0.000 2.364 11 Y HA 0.532 5.082 4.550 0.000 0.000 0.340 11 Y C -0.470 175.472 175.900 0.070 0.000 0.975 11 Y CA -0.919 57.274 58.100 0.155 0.000 1.089 11 Y CB 1.772 40.313 38.460 0.135 0.000 1.192 11 Y HN 0.336 nan 8.280 nan 0.000 0.454 12 L N 5.224 126.579 121.223 0.220 0.000 2.356 12 L HA 0.522 4.862 4.340 0.000 0.000 0.264 12 L C -1.524 175.381 176.870 0.060 0.000 1.029 12 L CA -0.589 54.262 54.840 0.018 0.000 0.897 12 L CB -0.095 41.843 42.059 -0.200 0.000 1.256 12 L HN 0.513 nan 8.230 nan 0.000 0.444 13 L N 3.585 124.754 121.223 -0.091 0.000 2.418 13 L HA 0.403 4.744 4.340 0.000 0.000 0.265 13 L C 0.348 176.953 176.870 -0.441 0.000 1.143 13 L CA 0.220 54.755 54.840 -0.509 0.000 0.809 13 L CB 0.559 42.344 42.059 -0.457 0.000 1.124 13 L HN 0.508 nan 8.230 nan 0.000 0.456 14 K N 1.031 120.986 120.400 -0.743 0.000 2.367 14 K HA 0.482 4.802 4.320 0.000 0.000 0.263 14 K C -0.903 175.506 176.600 -0.318 0.000 1.000 14 K CA -0.077 56.035 56.287 -0.291 0.000 0.891 14 K CB 0.944 33.404 32.500 -0.067 0.000 1.117 14 K HN 0.481 nan 8.250 nan 0.000 0.443 15 S N 3.615 119.199 115.700 -0.193 0.000 2.389 15 S HA 0.478 4.948 4.470 0.000 0.000 0.201 15 S C 0.155 174.729 174.600 -0.043 0.000 1.422 15 S CA 0.334 58.443 58.200 -0.151 0.000 1.216 15 S CB 0.228 63.305 63.200 -0.204 0.000 1.130 15 S HN 1.099 nan 8.310 nan 0.000 0.465 16 G N 5.036 113.827 108.800 -0.014 0.000 2.550 16 G HA2 -0.342 3.619 3.960 0.000 0.000 0.277 16 G HA3 -0.342 3.619 3.960 0.000 0.000 0.277 16 G C 0.599 175.438 174.900 -0.101 0.000 1.190 16 G CA 0.366 45.452 45.100 -0.025 0.000 0.971 16 G HN 0.942 nan 8.290 nan 0.000 0.559 17 R N 0.370 120.745 120.500 -0.208 0.000 2.323 17 R HA 0.327 4.667 4.340 0.000 0.000 0.198 17 R C 0.996 177.143 176.300 -0.255 0.000 0.988 17 R CA 0.479 56.426 56.100 -0.253 0.000 1.041 17 R CB -0.267 29.789 30.300 -0.407 0.000 0.926 17 R HN 0.444 nan 8.270 nan 0.000 0.476 18 L N 1.420 122.503 121.223 -0.233 0.000 2.332 18 L HA 0.348 4.688 4.340 0.000 0.000 0.269 18 L C -0.554 176.214 176.870 -0.169 0.000 1.016 18 L CA -1.456 53.236 54.840 -0.246 0.000 0.809 18 L CB 1.584 43.543 42.059 -0.167 0.000 1.280 18 L HN 0.270 nan 8.230 nan 0.000 0.447 19 H N -1.614 117.417 119.070 -0.065 0.000 2.380 19 H HA 0.446 5.003 4.556 0.000 0.000 0.231 19 H C -2.836 172.437 175.328 -0.092 0.000 1.415 19 H CA -2.842 53.146 56.048 -0.100 0.000 1.433 19 H CB -0.220 29.485 29.762 -0.095 0.000 1.544 19 H HN 0.182 nan 8.280 nan 0.000 0.503 20 P HA 0.007 nan 4.420 nan 0.000 0.266 20 P C -0.304 177.010 177.300 0.023 0.000 1.195 20 P CA -0.236 62.870 63.100 0.011 0.000 0.768 20 P CB 1.217 32.903 31.700 -0.023 0.000 0.838 21 V N 5.051 124.987 119.914 0.036 0.000 2.378 21 V HA 0.355 4.475 4.120 0.000 0.000 0.288 21 V C 0.190 176.326 176.094 0.070 0.000 1.016 21 V CA -0.341 61.971 62.300 0.021 0.000 0.840 21 V CB 0.773 32.575 31.823 -0.036 0.000 0.994 21 V HN 0.348 nan 8.190 nan 0.000 0.431 22 L N 4.960 126.266 121.223 0.139 0.000 2.319 22 L HA 0.834 5.174 4.340 0.000 0.000 0.267 22 L C -0.606 176.428 176.870 0.274 0.000 1.011 22 L CA -1.072 53.882 54.840 0.190 0.000 0.818 22 L CB 2.210 44.372 42.059 0.171 0.000 1.316 22 L HN 0.419 nan 8.230 nan 0.000 0.432 23 V N 0.994 121.051 119.914 0.239 0.000 2.841 23 V HA 0.466 4.587 4.120 0.000 0.000 0.310 23 V C -1.272 174.965 176.094 0.238 0.000 1.090 23 V CA -0.183 62.251 62.300 0.223 0.000 0.930 23 V CB 2.268 34.176 31.823 0.142 0.000 1.014 23 V HN 0.904 nan 8.190 nan 0.000 0.425 24 E N 5.872 126.227 120.200 0.258 0.000 2.216 24 E HA 0.489 4.840 4.350 0.000 0.000 0.260 24 E C -1.486 175.202 176.600 0.147 0.000 0.880 24 E CA -0.627 55.906 56.400 0.222 0.000 0.765 24 E CB 1.659 31.553 29.700 0.323 0.000 1.174 24 E HN 0.728 nan 8.360 nan 0.000 0.417 25 I N 3.196 123.834 120.570 0.113 0.000 2.321 25 I HA 0.220 4.390 4.170 0.000 0.000 0.291 25 I C -0.079 176.080 176.117 0.071 0.000 0.998 25 I CA -0.425 60.926 61.300 0.085 0.000 1.227 25 I CB 1.754 39.800 38.000 0.076 0.000 1.368 25 I HN 0.363 nan 8.210 nan 0.000 0.466 26 S N 3.756 119.493 115.700 0.062 0.000 2.565 26 S HA 0.623 5.094 4.470 0.000 0.000 0.290 26 S C 0.060 174.683 174.600 0.039 0.000 1.150 26 S CA -0.683 57.548 58.200 0.051 0.000 1.058 26 S CB 1.796 65.026 63.200 0.050 0.000 1.032 26 S HN 0.745 nan 8.310 nan 0.000 0.510 27 T N -1.555 113.018 114.554 0.032 0.000 2.930 27 T HA 0.388 4.738 4.350 0.000 0.000 0.290 27 T C 0.574 175.286 174.700 0.021 0.000 1.052 27 T CA -0.835 61.280 62.100 0.024 0.000 1.017 27 T CB 1.165 70.045 68.868 0.020 0.000 1.137 27 T HN 0.502 nan 8.240 nan 0.000 0.511 28 D N 0.080 120.491 120.400 0.017 0.000 2.263 28 D HA -0.136 4.504 4.640 0.000 0.000 0.208 28 D C 1.060 177.368 176.300 0.014 0.000 0.971 28 D CA 0.921 54.929 54.000 0.015 0.000 0.867 28 D CB -0.144 40.663 40.800 0.012 0.000 0.929 28 D HN 0.638 nan 8.370 nan 0.000 0.492 29 E N -0.270 119.938 120.200 0.013 0.000 2.437 29 E HA 0.222 4.573 4.350 0.000 0.000 0.189 29 E C 1.362 177.970 176.600 0.014 0.000 1.054 29 E CA 0.442 56.849 56.400 0.012 0.000 0.874 29 E CB 0.284 29.990 29.700 0.010 0.000 1.011 29 E HN 0.511 nan 8.360 nan 0.000 0.474 30 G N 1.704 110.514 108.800 0.017 0.000 2.159 30 G HA2 -0.293 3.668 3.960 0.000 0.000 0.256 30 G HA3 -0.293 3.668 3.960 0.000 0.000 0.256 30 G C 0.357 175.270 174.900 0.021 0.000 0.977 30 G CA 0.086 45.198 45.100 0.019 0.000 0.652 30 G HN 0.304 nan 8.290 nan 0.000 0.531 31 I N 2.357 122.939 120.570 0.020 0.000 2.342 31 I HA 0.443 4.613 4.170 0.000 0.000 0.291 31 I C 0.985 177.119 176.117 0.029 0.000 1.010 31 I CA 0.096 61.409 61.300 0.021 0.000 1.308 31 I CB 1.372 39.382 38.000 0.016 0.000 1.400 31 I HN 0.269 nan 8.210 nan 0.000 0.488 32 T N 2.194 116.768 114.554 0.034 0.000 2.918 32 T HA 0.778 5.129 4.350 0.000 0.000 0.286 32 T C -0.133 174.596 174.700 0.049 0.000 1.026 32 T CA -0.806 61.322 62.100 0.046 0.000 1.031 32 T CB 1.993 70.893 68.868 0.054 0.000 1.046 32 T HN 0.700 nan 8.240 nan 0.000 0.479 33 G N -0.097 108.740 108.800 0.062 0.000 2.524 33 G HA2 0.733 4.693 3.960 0.000 0.000 0.310 33 G HA3 0.733 4.693 3.960 0.000 0.000 0.310 33 G C -1.113 173.840 174.900 0.089 0.000 1.279 33 G CA -0.902 44.241 45.100 0.070 0.000 0.974 33 G HN 1.115 nan 8.290 nan 0.000 0.484 34 A N 0.161 123.036 122.820 0.091 0.000 2.374 34 A HA 1.012 5.332 4.320 0.000 0.000 0.317 34 A C 0.124 177.776 177.584 0.113 0.000 1.094 34 A CA -0.140 51.958 52.037 0.102 0.000 0.765 34 A CB 2.006 21.052 19.000 0.076 0.000 1.268 34 A HN 1.767 nan 8.150 nan 0.000 0.438 35 G N -0.240 108.635 108.800 0.126 0.000 2.690 35 G HA2 0.599 4.559 3.960 0.000 0.000 0.291 35 G HA3 0.599 4.559 3.960 0.000 0.000 0.291 35 G C -1.557 173.418 174.900 0.125 0.000 1.403 35 G CA -0.393 44.786 45.100 0.133 0.000 0.864 35 G HN 0.815 nan 8.290 nan 0.000 0.480 36 E N -0.346 119.927 120.200 0.122 0.000 2.275 36 E HA 0.605 4.955 4.350 0.000 0.000 0.270 36 E C -0.325 176.340 176.600 0.110 0.000 0.882 36 E CA -0.902 55.563 56.400 0.107 0.000 0.758 36 E CB 1.970 31.726 29.700 0.094 0.000 1.195 36 E HN 0.754 nan 8.360 nan 0.000 0.419 37 A N 2.703 125.576 122.820 0.089 0.000 2.366 37 A HA 0.471 4.791 4.320 0.000 0.000 0.272 37 A C 0.845 178.474 177.584 0.074 0.000 1.135 37 A CA 0.150 52.234 52.037 0.078 0.000 0.804 37 A CB 0.701 19.722 19.000 0.036 0.000 1.064 37 A HN 0.741 nan 8.150 nan 0.000 0.499 38 G N 1.683 110.541 108.800 0.096 0.000 3.318 38 G HA2 0.310 4.270 3.960 0.000 0.000 0.230 38 G HA3 0.310 4.270 3.960 0.000 0.000 0.230 38 G C 0.238 175.136 174.900 -0.003 0.000 1.317 38 G CA 0.048 45.209 45.100 0.102 0.000 1.197 38 G HN 0.577 nan 8.290 nan 0.000 0.514 39 I N 1.337 121.882 120.570 -0.041 0.000 3.207 39 I HA 0.251 4.421 4.170 0.000 0.000 0.343 39 I C 1.396 177.491 176.117 -0.038 0.000 1.378 39 I CA -0.796 60.428 61.300 -0.126 0.000 1.004 39 I CB 0.086 38.039 38.000 -0.079 0.000 1.836 39 I HN 0.155 nan 8.210 nan 0.000 0.513 40 A N 2.264 125.014 122.820 -0.117 0.000 2.178 40 A HA 0.124 4.444 4.320 0.000 0.000 0.211 40 A C 0.682 177.941 177.584 -0.541 0.000 1.157 40 A CA 0.710 52.655 52.037 -0.152 0.000 0.780 40 A CB -0.105 18.907 19.000 0.020 0.000 0.828 40 A HN 0.532 nan 8.150 nan 0.000 0.476 41 Y N -4.597 115.481 120.300 -0.370 0.000 2.705 41 Y HA 0.652 5.202 4.550 0.000 0.000 0.332 41 Y C 0.669 176.539 175.900 -0.051 0.000 1.157 41 Y CA -1.313 56.586 58.100 -0.334 0.000 1.091 41 Y CB 0.181 38.540 38.460 -0.168 0.000 1.301 41 Y HN 0.812 nan 8.280 nan 0.000 0.488 42 G N -0.179 108.694 108.800 0.121 0.000 2.698 42 G HA2 -0.092 3.868 3.960 0.000 0.000 0.233 42 G HA3 -0.092 3.868 3.960 0.000 0.000 0.233 42 G C -1.569 173.393 174.900 0.104 0.000 1.352 42 G CA -0.484 44.656 45.100 0.067 0.000 0.879 42 G HN 1.107 nan 8.290 nan 0.000 0.567 43 V N 0.949 120.878 119.914 0.025 0.000 2.350 43 V HA 0.697 4.817 4.120 0.000 0.000 0.276 43 V C 1.200 177.257 176.094 -0.062 0.000 1.028 43 V CA 1.210 63.508 62.300 -0.004 0.000 0.860 43 V CB 0.513 32.326 31.823 -0.017 0.000 0.990 43 V HN 2.596 nan 8.190 nan 0.000 0.453 44 G N 3.370 112.096 108.800 -0.123 0.000 2.789 44 G HA2 -0.069 3.891 3.960 0.000 0.000 0.218 44 G HA3 -0.069 3.891 3.960 0.000 0.000 0.218 44 G C 0.816 175.579 174.900 -0.229 0.000 0.980 44 G CA 0.111 45.116 45.100 -0.159 0.000 0.848 44 G HN 1.016 nan 8.290 nan 0.000 0.591 45 G N 0.712 109.270 108.800 -0.404 0.000 2.440 45 G HA2 -0.068 3.893 3.960 0.000 0.000 0.218 45 G HA3 -0.068 3.893 3.960 0.000 0.000 0.218 45 G C 1.645 176.288 174.900 -0.428 0.000 1.154 45 G CA 2.431 47.243 45.100 -0.480 0.000 0.767 45 G HN 0.540 nan 8.290 nan 0.000 0.552 46 T N 1.556 115.860 114.554 -0.416 0.000 2.867 46 T HA 0.100 4.450 4.350 0.000 0.000 0.268 46 T C 2.776 177.253 174.700 -0.371 0.000 1.057 46 T CA 1.268 63.110 62.100 -0.430 0.000 1.136 46 T CB -0.257 68.482 68.868 -0.216 0.000 0.874 46 T HN 0.372 nan 8.240 nan 0.000 0.466 47 A N 1.551 124.222 122.820 -0.248 0.000 1.902 47 A HA 0.198 4.518 4.320 0.000 0.000 0.217 47 A C 2.655 180.118 177.584 -0.202 0.000 1.181 47 A CA 1.693 53.619 52.037 -0.184 0.000 0.623 47 A CB -1.072 17.837 19.000 -0.152 0.000 0.818 47 A HN 0.502 nan 8.150 nan 0.000 0.443 48 A N -0.081 122.605 122.820 -0.223 0.000 1.902 48 A HA 0.164 4.484 4.320 0.000 0.000 0.217 48 A C 2.513 179.962 177.584 -0.225 0.000 1.181 48 A CA 2.092 54.018 52.037 -0.184 0.000 0.623 48 A CB -1.032 17.880 19.000 -0.148 0.000 0.818 48 A HN 1.039 nan 8.150 nan 0.000 0.443 49 A N -0.104 122.469 122.820 -0.411 0.000 1.902 49 A HA 0.282 4.602 4.320 0.000 0.000 0.217 49 A C 1.794 179.138 177.584 -0.399 0.000 1.181 49 A CA 1.400 53.092 52.037 -0.575 0.000 0.623 49 A CB -1.476 16.735 19.000 -1.315 0.000 0.818 49 A HN 0.844 nan 8.150 nan 0.000 0.443 53 K N 1.947 122.414 120.400 0.112 0.000 2.002 53 K HA -0.186 4.134 4.320 0.000 0.000 0.209 53 K C 1.372 178.017 176.600 0.076 0.000 1.048 53 K CA 2.432 58.797 56.287 0.130 0.000 0.930 53 K CB 0.073 32.716 32.500 0.239 0.000 0.714 53 K HN 0.188 nan 8.250 nan 0.000 0.438 54 D N 0.963 121.405 120.400 0.070 0.000 2.097 54 D HA -0.169 4.471 4.640 0.000 0.000 0.195 54 D C 2.066 178.379 176.300 0.022 0.000 0.989 54 D CA 1.102 55.121 54.000 0.032 0.000 0.827 54 D CB -0.208 40.616 40.800 0.040 0.000 0.966 54 D HN 0.242 nan 8.370 nan 0.000 0.456 55 L N 0.648 121.925 121.223 0.089 0.000 2.046 55 L HA -0.154 4.187 4.340 0.000 0.000 0.208 55 L C 2.556 179.532 176.870 0.176 0.000 1.077 55 L CA 0.883 55.845 54.840 0.203 0.000 0.747 55 L CB -0.301 41.882 42.059 0.205 0.000 0.896 55 L HN -0.060 nan 8.230 nan 0.000 0.432 56 S N -0.327 115.437 115.700 0.106 0.000 2.348 56 S HA -0.191 4.280 4.470 0.000 0.000 0.221 56 S C 1.819 176.438 174.600 0.032 0.000 1.033 56 S CA 1.344 59.594 58.200 0.085 0.000 1.010 56 S CB -0.247 62.993 63.200 0.068 0.000 0.891 56 S HN 0.453 nan 8.310 nan 0.000 0.442 57 E N 0.498 120.693 120.200 -0.008 0.000 2.153 57 E HA -0.174 4.177 4.350 0.000 0.000 0.194 57 E C 2.235 178.767 176.600 -0.114 0.000 0.988 57 E CA 0.926 57.298 56.400 -0.047 0.000 0.811 57 E CB -0.063 29.607 29.700 -0.049 0.000 0.746 57 E HN 0.164 nan 8.360 nan 0.000 0.466 58 R N -0.145 120.225 120.500 -0.217 0.000 2.112 58 R HA 0.003 4.343 4.340 0.000 0.000 0.216 58 R C 1.055 177.034 176.300 -0.535 0.000 1.080 58 R CA 1.139 56.949 56.100 -0.485 0.000 0.996 58 R CB 0.114 29.913 30.300 -0.835 0.000 0.902 58 R HN 0.089 nan 8.270 nan 0.000 0.449 59 F N -1.473 118.486 119.950 0.015 0.000 2.784 59 F HA 0.332 4.860 4.527 0.000 0.000 0.323 59 F C 1.307 177.120 175.800 0.022 0.000 1.085 59 F CA -0.193 57.819 58.000 0.020 0.000 1.196 59 F CB 0.394 39.412 39.000 0.030 0.000 1.053 59 F HN -0.129 nan 8.300 nan 0.000 0.578 60 L N -0.570 120.759 121.223 0.177 0.000 2.362 60 L HA 0.223 4.564 4.340 0.000 0.000 0.204 60 L C 0.251 177.164 176.870 0.072 0.000 1.060 60 L CA 0.005 54.917 54.840 0.121 0.000 0.827 60 L CB -0.073 42.052 42.059 0.110 0.000 1.027 60 L HN -0.147 nan 8.230 nan 0.000 0.474 61 I N 1.330 121.929 120.570 0.048 0.000 2.741 61 I HA 0.105 4.275 4.170 0.000 0.000 0.288 61 I C 1.379 177.513 176.117 0.028 0.000 1.192 61 I CA 1.201 62.519 61.300 0.030 0.000 1.426 61 I CB 0.022 38.030 38.000 0.014 0.000 1.367 61 I HN 0.358 nan 8.210 nan 0.000 0.563 62 G N 3.890 112.706 108.800 0.026 0.000 2.199 62 G HA2 -0.222 3.738 3.960 0.000 0.000 0.254 62 G HA3 -0.222 3.738 3.960 0.000 0.000 0.254 62 G C 0.550 175.466 174.900 0.027 0.000 0.982 62 G CA -0.355 44.758 45.100 0.022 0.000 0.632 62 G HN 0.457 nan 8.290 nan 0.000 0.529 63 K N 0.955 121.377 120.400 0.037 0.000 2.126 63 K HA 0.377 4.698 4.320 0.000 0.000 0.257 63 K C -0.390 176.226 176.600 0.027 0.000 1.007 63 K CA -0.599 55.712 56.287 0.039 0.000 0.928 63 K CB 0.885 33.419 32.500 0.058 0.000 1.013 63 K HN 0.223 nan 8.250 nan 0.000 0.473 64 D N 3.070 123.482 120.400 0.021 0.000 2.336 64 D HA 0.074 4.714 4.640 0.000 0.000 0.249 64 D C -1.422 174.877 176.300 -0.001 0.000 1.213 64 D CA -2.116 51.889 54.000 0.009 0.000 0.870 64 D CB 0.970 41.775 40.800 0.007 0.000 1.076 64 D HN 0.117 nan 8.370 nan 0.000 0.483 65 P HA -0.158 nan 4.420 nan 0.000 0.222 65 P C 1.113 178.366 177.300 -0.079 0.000 1.147 65 P CA 0.686 63.768 63.100 -0.031 0.000 0.790 65 P CB 0.145 31.833 31.700 -0.020 0.000 0.780 66 S N 0.037 115.696 115.700 -0.069 0.000 2.447 66 S HA -0.068 4.402 4.470 0.000 0.000 0.233 66 S C 1.415 175.946 174.600 -0.114 0.000 1.006 66 S CA 0.190 58.330 58.200 -0.100 0.000 0.957 66 S CB -0.864 62.303 63.200 -0.056 0.000 0.773 66 S HN 0.159 nan 8.310 nan 0.000 0.507 67 R N 1.103 121.561 120.500 -0.069 0.000 4.138 67 R HA 0.419 4.760 4.340 0.000 0.000 0.206 67 R C 0.660 176.929 176.300 -0.052 0.000 1.667 67 R CA -0.166 55.907 56.100 -0.045 0.000 1.481 67 R CB -0.332 29.966 30.300 -0.004 0.000 1.388 67 R HN 0.463 nan 8.270 nan 0.000 0.776 68 I N 0.512 120.998 120.570 -0.139 0.000 2.142 68 I HA -0.286 3.884 4.170 0.000 0.000 0.240 68 I C 1.981 178.117 176.117 0.031 0.000 1.078 68 I CA 1.233 62.447 61.300 -0.143 0.000 1.343 68 I CB -0.088 37.623 38.000 -0.482 0.000 1.046 68 I HN 0.395 nan 8.210 nan 0.000 0.405 69 E N 0.750 120.970 120.200 0.033 0.000 2.085 69 E HA -0.280 4.070 4.350 0.000 0.000 0.194 69 E C 2.011 178.701 176.600 0.149 0.000 0.994 69 E CA 1.342 57.802 56.400 0.100 0.000 0.801 69 E CB -0.251 29.485 29.700 0.060 0.000 0.743 69 E HN 0.558 nan 8.360 nan 0.000 0.453 70 E N 0.220 120.480 120.200 0.099 0.000 2.072 70 E HA -0.174 4.177 4.350 0.000 0.000 0.191 70 E C 2.090 178.761 176.600 0.118 0.000 0.985 70 E CA 0.486 56.949 56.400 0.104 0.000 0.801 70 E CB 0.084 29.826 29.700 0.070 0.000 0.750 70 E HN 0.023 nan 8.360 nan 0.000 0.452 71 L N -0.042 121.243 121.223 0.103 0.000 2.046 71 L HA -0.125 4.215 4.340 0.000 0.000 0.208 71 L C 1.965 178.895 176.870 0.100 0.000 1.077 71 L CA 1.682 56.571 54.840 0.081 0.000 0.747 71 L CB -1.060 41.041 42.059 0.070 0.000 0.896 71 L HN 0.379 nan 8.230 nan 0.000 0.432 72 W N -0.566 120.745 121.300 0.018 0.000 2.355 72 W HA -0.259 4.401 4.660 0.000 0.000 0.309 72 W C 3.027 179.584 176.519 0.064 0.000 1.206 72 W CA 2.159 59.539 57.345 0.058 0.000 1.284 72 W CB -0.291 29.227 29.460 0.096 0.000 1.145 72 W HN 0.149 nan 8.180 nan 0.000 0.502 73 S N -0.424 115.533 115.700 0.428 0.000 2.370 73 S HA -0.123 4.347 4.470 0.000 0.000 0.226 73 S C 1.141 175.809 174.600 0.115 0.000 1.033 73 S CA 1.608 59.999 58.200 0.319 0.000 1.011 73 S CB -0.906 62.440 63.200 0.243 0.000 0.852 73 S HN 0.149 nan 8.310 nan 0.000 0.457 77 D N 0.143 120.469 120.400 -0.123 0.000 2.178 77 D HA -0.062 4.579 4.640 0.000 0.000 0.202 77 D C 1.190 177.154 176.300 -0.561 0.000 0.974 77 D CA 1.897 55.691 54.000 -0.343 0.000 0.841 77 D CB -0.069 40.452 40.800 -0.465 0.000 0.953 77 D HN 0.572 nan 8.370 nan 0.000 0.478 78 H N -1.104 117.941 119.070 -0.043 0.000 2.755 78 H HA 0.215 4.772 4.556 0.000 0.000 0.273 78 H C 1.694 177.164 175.328 0.237 0.000 1.055 78 H CA 0.397 56.516 56.048 0.119 0.000 1.191 78 H CB 0.555 30.481 29.762 0.273 0.000 1.536 78 H HN 0.078 nan 8.280 nan 0.000 0.529 79 S N -0.243 115.561 115.700 0.174 0.000 2.461 79 S HA -0.079 4.391 4.470 0.000 0.000 0.228 79 S C 1.377 176.027 174.600 0.084 0.000 1.005 79 S CA 0.508 58.838 58.200 0.216 0.000 0.942 79 S CB -0.068 63.168 63.200 0.059 0.000 0.776 79 S HN 0.425 nan 8.310 nan 0.000 0.514 80 F N 0.057 119.837 119.950 -0.283 0.000 2.545 80 F HA -0.324 4.203 4.527 0.000 0.000 0.690 80 F C 0.577 175.981 175.800 -0.659 0.000 0.488 80 F CA 1.522 59.198 58.000 -0.541 0.000 0.791 80 F CB -1.668 36.874 39.000 -0.763 0.000 1.653 80 F HN 0.333 nan 8.300 nan 0.000 0.266 81 W N 1.086 122.354 121.300 -0.052 0.000 3.077 81 W HA 0.412 5.073 4.660 0.000 0.000 0.245 81 W C 2.134 178.459 176.519 -0.324 0.000 1.316 81 W CA 0.858 58.113 57.345 -0.150 0.000 1.537 81 W CB -0.681 28.751 29.460 -0.045 0.000 1.131 81 W HN 0.356 nan 8.180 nan 0.000 0.695 82 A N 0.507 123.105 122.820 -0.369 0.000 2.016 82 A HA -0.025 4.295 4.320 0.000 0.000 0.217 82 A C 1.160 178.504 177.584 -0.401 0.000 1.162 82 A CA 0.418 52.102 52.037 -0.590 0.000 0.662 82 A CB -0.316 18.196 19.000 -0.813 0.000 0.812 82 A HN 0.104 nan 8.150 nan 0.000 0.450 83 K N 1.012 121.094 120.400 -0.529 0.000 2.382 83 K HA 0.079 4.399 4.320 0.000 0.000 0.286 83 K C 0.078 176.653 176.600 -0.041 0.000 1.062 83 K CA 0.315 56.426 56.287 -0.294 0.000 1.000 83 K CB 0.036 32.296 32.500 -0.399 0.000 0.954 83 K HN 0.360 nan 8.250 nan 0.000 0.470 84 N N 0.978 119.786 118.700 0.179 0.000 2.776 84 N HA -0.140 4.600 4.740 0.000 0.000 0.249 84 N C -0.164 175.488 175.510 0.236 0.000 1.111 84 N CA 0.965 54.139 53.050 0.207 0.000 0.711 84 N CB -0.990 37.567 38.487 0.116 0.000 1.065 84 N HN 0.789 nan 8.380 nan 0.000 0.556 85 G N -1.449 107.553 108.800 0.337 0.000 2.606 85 G HA2 0.556 4.516 3.960 0.000 0.000 0.252 85 G HA3 0.556 4.516 3.960 0.000 0.000 0.252 85 G C 0.779 175.860 174.900 0.302 0.000 1.206 85 G CA -0.029 45.214 45.100 0.238 0.000 0.861 85 G HN 0.446 nan 8.290 nan 0.000 0.561 86 G N -1.155 107.663 108.800 0.029 0.000 2.828 86 G HA2 0.539 4.499 3.960 0.000 0.000 0.244 86 G HA3 0.539 4.499 3.960 0.000 0.000 0.244 86 G C 1.312 175.869 174.900 -0.572 0.000 1.365 86 G CA 0.534 45.502 45.100 -0.220 0.000 1.041 86 G HN 0.997 nan 8.290 nan 0.000 0.560 87 A N -0.692 121.580 122.820 -0.915 0.000 1.908 87 A HA -0.047 4.273 4.320 0.000 0.000 0.218 87 A C 2.322 179.726 177.584 -0.300 0.000 1.181 87 A CA 1.699 53.283 52.037 -0.754 0.000 0.627 87 A CB -0.489 18.292 19.000 -0.365 0.000 0.818 87 A HN 0.409 nan 8.150 nan 0.000 0.445 88 I N -0.608 119.819 120.570 -0.238 0.000 2.163 88 I HA -0.182 3.988 4.170 0.000 0.000 0.240 88 I C 2.437 178.453 176.117 -0.168 0.000 1.081 88 I CA 1.345 62.542 61.300 -0.171 0.000 1.353 88 I CB -1.368 36.534 38.000 -0.163 0.000 1.054 88 I HN 0.402 nan 8.210 nan 0.000 0.407 89 I N 0.898 121.328 120.570 -0.233 0.000 2.179 89 I HA -0.277 3.893 4.170 0.000 0.000 0.242 89 I C 2.309 178.196 176.117 -0.384 0.000 1.088 89 I CA 1.792 62.896 61.300 -0.326 0.000 1.357 89 I CB -0.501 37.221 38.000 -0.462 0.000 1.051 89 I HN 0.009 nan 8.210 nan 0.000 0.409 90 F N 0.235 120.125 119.950 -0.100 0.000 2.456 90 F HA 0.061 4.588 4.527 0.000 0.000 0.298 90 F C 2.401 178.217 175.800 0.026 0.000 1.104 90 F CA 0.701 58.688 58.000 -0.021 0.000 1.435 90 F CB -0.556 38.466 39.000 0.038 0.000 1.078 90 F HN 0.117 nan 8.300 nan 0.000 0.546 91 A N 0.265 123.147 122.820 0.103 0.000 1.929 91 A HA -0.007 4.313 4.320 0.000 0.000 0.216 91 A C 2.504 180.136 177.584 0.079 0.000 1.176 91 A CA 1.593 53.690 52.037 0.099 0.000 0.628 91 A CB -1.414 17.602 19.000 0.026 0.000 0.816 91 A HN 0.375 nan 8.150 nan 0.000 0.444 92 G N 0.026 108.838 108.800 0.020 0.000 2.402 92 G HA2 -0.150 3.810 3.960 0.000 0.000 0.216 92 G HA3 -0.150 3.810 3.960 0.000 0.000 0.216 92 G C 1.519 176.451 174.900 0.053 0.000 1.162 92 G CA 1.071 46.182 45.100 0.019 0.000 0.777 92 G HN 0.454 nan 8.290 nan 0.000 0.539 93 I N 0.995 121.586 120.570 0.035 0.000 2.252 93 I HA -0.153 4.017 4.170 0.000 0.000 0.245 93 I C 2.995 179.231 176.117 0.199 0.000 1.102 93 I CA 0.930 62.258 61.300 0.045 0.000 1.385 93 I CB -0.156 37.794 38.000 -0.083 0.000 1.064 93 I HN 0.100 nan 8.210 nan 0.000 0.414 94 S N 0.900 116.757 115.700 0.262 0.000 2.359 94 S HA -0.198 4.272 4.470 0.000 0.000 0.224 94 S C 2.283 177.029 174.600 0.244 0.000 1.035 94 S CA 1.441 59.823 58.200 0.303 0.000 1.018 94 S CB -0.407 62.962 63.200 0.282 0.000 0.876 94 S HN 0.550 nan 8.310 nan 0.000 0.448 95 A N 1.389 124.319 122.820 0.184 0.000 1.883 95 A HA -0.073 4.247 4.320 0.000 0.000 0.217 95 A C 2.100 179.785 177.584 0.168 0.000 1.186 95 A CA 1.336 53.469 52.037 0.159 0.000 0.624 95 A CB -0.752 18.321 19.000 0.121 0.000 0.822 95 A HN 0.485 nan 8.150 nan 0.000 0.444 96 I N -0.703 119.963 120.570 0.160 0.000 2.179 96 I HA -0.226 3.945 4.170 0.000 0.000 0.242 96 I C 2.650 178.880 176.117 0.189 0.000 1.088 96 I CA 1.613 63.005 61.300 0.152 0.000 1.357 96 I CB -0.309 37.767 38.000 0.126 0.000 1.051 96 I HN 0.447 nan 8.210 nan 0.000 0.409 97 E N 0.995 121.352 120.200 0.261 0.000 2.110 97 E HA -0.265 4.085 4.350 0.000 0.000 0.193 97 E C 2.107 178.942 176.600 0.391 0.000 0.988 97 E CA 1.520 58.130 56.400 0.349 0.000 0.804 97 E CB -0.006 30.007 29.700 0.523 0.000 0.745 97 E HN 0.566 nan 8.360 nan 0.000 0.458 98 Q N -0.078 119.925 119.800 0.339 0.000 2.050 98 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 98 Q C 2.212 178.368 176.000 0.259 0.000 0.980 98 Q CA 1.716 57.709 55.803 0.316 0.000 0.840 98 Q CB -0.222 28.650 28.738 0.223 0.000 0.898 98 Q HN 0.315 nan 8.270 nan 0.000 0.424 99 A N 0.725 123.660 122.820 0.192 0.000 1.933 99 A HA -0.160 4.160 4.320 0.000 0.000 0.218 99 A C 2.046 179.697 177.584 0.111 0.000 1.175 99 A CA 1.100 53.222 52.037 0.141 0.000 0.628 99 A CB -0.641 18.433 19.000 0.124 0.000 0.814 99 A HN 0.295 nan 8.150 nan 0.000 0.444 100 L N -2.788 118.488 121.223 0.089 0.000 2.056 100 L HA -0.203 4.138 4.340 0.000 0.000 0.207 100 L C 2.567 179.385 176.870 -0.087 0.000 1.078 100 L CA 1.268 56.089 54.840 -0.032 0.000 0.749 100 L CB -0.507 41.488 42.059 -0.106 0.000 0.901 100 L HN 0.603 nan 8.230 nan 0.000 0.433 101 W N 0.388 121.732 121.300 0.073 0.000 2.402 101 W HA -0.182 4.478 4.660 0.000 0.000 0.286 101 W C 2.374 178.886 176.519 -0.012 0.000 1.221 101 W CA 0.967 58.333 57.345 0.035 0.000 1.257 101 W CB -0.221 29.261 29.460 0.036 0.000 1.120 101 W HN 0.194 nan 8.180 nan 0.000 0.551 102 D N 0.492 121.013 120.400 0.202 0.000 2.104 102 D HA -0.193 4.447 4.640 0.000 0.000 0.194 102 D C 1.885 178.223 176.300 0.064 0.000 0.994 102 D CA 1.577 55.641 54.000 0.106 0.000 0.830 102 D CB -0.323 40.533 40.800 0.094 0.000 0.959 102 D HN 0.101 nan 8.370 nan 0.000 0.452 103 I N 0.016 120.616 120.570 0.050 0.000 2.179 103 I HA -0.221 3.950 4.170 0.000 0.000 0.242 103 I C 2.522 178.644 176.117 0.008 0.000 1.088 103 I CA 0.944 62.257 61.300 0.021 0.000 1.357 103 I CB -0.253 37.751 38.000 0.007 0.000 1.051 103 I HN 0.024 nan 8.210 nan 0.000 0.409 104 K N 1.092 121.490 120.400 -0.004 0.000 2.032 104 K HA -0.172 4.149 4.320 0.000 0.000 0.209 104 K C 2.124 178.746 176.600 0.036 0.000 1.048 104 K CA 1.716 58.001 56.287 -0.004 0.000 0.927 104 K CB -0.409 32.061 32.500 -0.049 0.000 0.712 104 K HN 0.379 nan 8.250 nan 0.000 0.441 105 G N 1.103 109.938 108.800 0.058 0.000 2.418 105 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 105 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 105 G C 1.295 176.190 174.900 -0.008 0.000 1.158 105 G CA 0.863 45.970 45.100 0.011 0.000 0.771 105 G HN 0.290 nan 8.290 nan 0.000 0.545 106 K N -0.496 119.905 120.400 0.001 0.000 2.057 106 K HA -0.076 4.245 4.320 0.000 0.000 0.207 106 K C 2.611 179.211 176.600 -0.001 0.000 1.049 106 K CA 1.148 57.434 56.287 -0.002 0.000 0.931 106 K CB -0.394 32.110 32.500 0.006 0.000 0.714 106 K HN 0.309 nan 8.250 nan 0.000 0.440 107 C N 0.789 120.091 119.300 0.003 0.000 2.413 107 C HA -0.071 4.389 4.460 0.000 0.000 0.277 107 C C 2.229 177.221 174.990 0.003 0.000 1.265 107 C CA 0.664 59.684 59.018 0.003 0.000 1.752 107 C CB -0.667 27.074 27.740 0.001 0.000 1.998 107 C HN 0.403 nan 8.230 nan 0.000 0.489 108 L N 0.086 121.311 121.223 0.004 0.000 2.592 108 L HA 0.217 4.557 4.340 0.000 0.000 0.227 108 L C 1.813 178.680 176.870 -0.005 0.000 1.127 108 L CA 0.880 55.723 54.840 0.005 0.000 0.884 108 L CB -0.672 41.396 42.059 0.015 0.000 1.065 108 L HN 0.496 nan 8.230 nan 0.000 0.457 109 G N 1.386 110.179 108.800 -0.012 0.000 2.160 109 G HA2 -0.237 3.723 3.960 0.000 0.000 0.251 109 G HA3 -0.237 3.723 3.960 0.000 0.000 0.251 109 G C 0.098 174.975 174.900 -0.039 0.000 1.008 109 G CA 0.376 45.464 45.100 -0.020 0.000 0.724 109 G HN 0.322 nan 8.290 nan 0.000 0.514 110 V N -4.736 115.141 119.914 -0.061 0.000 3.159 110 V HA 0.936 5.056 4.120 0.000 0.000 0.308 110 V C -2.681 173.294 176.094 -0.197 0.000 1.190 110 V CA -2.902 59.332 62.300 -0.111 0.000 1.037 110 V CB 2.086 33.854 31.823 -0.092 0.000 1.060 110 V HN 0.006 nan 8.190 nan 0.000 0.437 111 P HA 0.285 nan 4.420 nan 0.000 0.272 111 P C 0.978 177.935 177.300 -0.572 0.000 1.223 111 P CA -0.037 62.703 63.100 -0.600 0.000 0.784 111 P CB 0.974 31.905 31.700 -1.281 0.000 0.923 112 V N 1.876 121.492 119.914 -0.497 0.000 2.469 112 V HA -0.271 3.849 4.120 0.000 0.000 0.251 112 V C 1.923 177.595 176.094 -0.704 0.000 1.064 112 V CA 2.030 64.010 62.300 -0.534 0.000 1.066 112 V CB -1.700 29.778 31.823 -0.574 0.000 0.667 112 V HN 0.624 nan 8.190 nan 0.000 0.461 113 Y N 0.322 120.371 120.300 -0.419 0.000 2.403 113 Y HA -0.072 4.478 4.550 0.000 0.000 0.291 113 Y C 2.176 177.996 175.900 -0.134 0.000 1.143 113 Y CA 0.866 58.789 58.100 -0.294 0.000 1.257 113 Y CB -0.864 37.498 38.460 -0.163 0.000 0.984 113 Y HN 0.206 nan 8.280 nan 0.000 0.550 114 E N 1.114 121.262 120.200 -0.087 0.000 2.107 114 E HA -0.061 4.290 4.350 0.000 0.000 0.191 114 E C 2.223 178.849 176.600 0.044 0.000 0.982 114 E CA 0.959 57.382 56.400 0.037 0.000 0.809 114 E CB -0.341 29.329 29.700 -0.049 0.000 0.756 114 E HN 0.588 nan 8.360 nan 0.000 0.459 115 L N -0.107 121.109 121.223 -0.013 0.000 2.083 115 L HA -0.119 4.221 4.340 0.000 0.000 0.209 115 L C 2.092 179.117 176.870 0.257 0.000 1.083 115 L CA 0.741 55.650 54.840 0.115 0.000 0.752 115 L CB -0.412 41.744 42.059 0.161 0.000 0.899 115 L HN 0.041 nan 8.230 nan 0.000 0.433 116 F N 0.327 120.239 119.950 -0.064 0.000 2.802 116 F HA 0.139 4.667 4.527 0.000 0.000 0.300 116 F C 1.753 177.530 175.800 -0.039 0.000 1.168 116 F CA 0.666 58.605 58.000 -0.101 0.000 1.433 116 F CB -0.646 38.261 39.000 -0.154 0.000 1.115 116 F HN 0.229 nan 8.300 nan 0.000 0.582 117 G N -0.901 108.008 108.800 0.181 0.000 2.173 117 G HA2 0.251 4.212 3.960 0.000 0.000 0.142 117 G HA3 0.251 4.212 3.960 0.000 0.000 0.142 117 G C 0.501 175.458 174.900 0.096 0.000 1.019 117 G CA -0.081 45.083 45.100 0.106 0.000 0.699 117 G HN 0.930 nan 8.290 nan 0.000 0.495 118 G N -0.296 108.584 108.800 0.132 0.000 2.707 118 G HA2 0.349 4.310 3.960 0.000 0.000 0.686 118 G HA3 0.349 4.310 3.960 0.000 0.000 0.686 118 G C -0.158 174.791 174.900 0.082 0.000 1.315 118 G CA 0.154 45.330 45.100 0.127 0.000 0.832 118 G HN 1.557 nan 8.290 nan 0.000 0.573 119 K N -0.163 120.237 120.400 0.000 0.000 2.172 119 K HA 0.699 5.019 4.320 0.000 0.000 0.276 119 K C 0.834 177.362 176.600 -0.120 0.000 1.013 119 K CA -0.901 55.267 56.287 -0.197 0.000 0.913 119 K CB 1.867 34.087 32.500 -0.466 0.000 1.055 119 K HN 0.398 nan 8.250 nan 0.000 0.461 120 I N 1.183 121.680 120.570 -0.121 0.000 3.462 120 I HA -0.031 4.139 4.170 0.000 0.000 0.290 120 I C 0.568 176.639 176.117 -0.076 0.000 1.236 120 I CA -0.021 61.238 61.300 -0.068 0.000 1.418 120 I CB 0.186 38.165 38.000 -0.036 0.000 1.102 120 I HN 0.701 nan 8.210 nan 0.000 0.441 121 R N -0.258 120.164 120.500 -0.130 0.000 2.698 121 R HA 0.356 4.696 4.340 0.000 0.000 0.275 121 R C -1.156 175.040 176.300 -0.173 0.000 1.001 121 R CA -0.668 55.366 56.100 -0.111 0.000 0.896 121 R CB 1.320 31.582 30.300 -0.063 0.000 1.218 121 R HN -0.244 nan 8.270 nan 0.000 0.462 122 D N 1.057 121.381 120.400 -0.126 0.000 2.369 122 D HA 0.069 4.710 4.640 0.000 0.000 0.211 122 D C 0.018 176.260 176.300 -0.096 0.000 1.077 122 D CA 0.360 54.279 54.000 -0.135 0.000 0.842 122 D CB 0.401 41.142 40.800 -0.099 0.000 0.947 122 D HN 0.540 nan 8.370 nan 0.000 0.509 123 R N -0.387 120.081 120.500 -0.054 0.000 2.680 123 R HA 0.598 4.938 4.340 0.000 0.000 0.269 123 R C -1.341 175.049 176.300 0.150 0.000 1.026 123 R CA -0.967 55.155 56.100 0.036 0.000 0.889 123 R CB 1.532 31.840 30.300 0.012 0.000 1.241 123 R HN -0.141 nan 8.270 nan 0.000 0.463 124 V N -1.392 118.663 119.914 0.235 0.000 2.789 124 V HA 0.629 4.749 4.120 0.000 0.000 0.311 124 V C -0.187 176.047 176.094 0.234 0.000 1.073 124 V CA -1.222 61.246 62.300 0.281 0.000 0.921 124 V CB 1.852 33.695 31.823 0.034 0.000 1.009 124 V HN 0.935 nan 8.190 nan 0.000 0.426 125 R N 2.509 123.021 120.500 0.021 0.000 2.539 125 R HA 0.772 5.112 4.340 0.000 0.000 0.275 125 R C -0.110 176.212 176.300 0.037 0.000 1.077 125 R CA 0.495 56.290 56.100 -0.510 0.000 1.097 125 R CB 1.204 31.216 30.300 -0.480 0.000 1.018 125 R HN 1.258 nan 8.270 nan 0.000 0.483 126 A N 2.753 125.611 122.820 0.063 0.000 2.485 126 A HA 0.562 4.882 4.320 0.000 0.000 0.292 126 A C -1.777 176.031 177.584 0.374 0.000 1.147 126 A CA -0.785 51.438 52.037 0.310 0.000 0.750 126 A CB 1.169 20.523 19.000 0.589 0.000 1.331 126 A HN 0.752 nan 8.150 nan 0.000 0.419 127 Y N -1.492 118.992 120.300 0.306 0.000 2.524 127 Y HA 0.832 5.382 4.550 0.000 0.000 0.344 127 Y C -0.137 175.800 175.900 0.062 0.000 1.012 127 Y CA -1.294 56.926 58.100 0.201 0.000 1.068 127 Y CB 1.273 39.783 38.460 0.084 0.000 1.249 127 Y HN 0.919 nan 8.280 nan 0.000 0.468 128 A N 3.115 125.924 122.820 -0.018 0.000 2.305 128 A HA 0.609 4.929 4.320 0.000 0.000 0.322 128 A C -0.820 176.871 177.584 0.179 0.000 1.187 128 A CA -0.615 51.209 52.037 -0.356 0.000 0.825 128 A CB 0.673 19.050 19.000 -1.038 0.000 1.164 128 A HN 0.839 nan 8.150 nan 0.000 0.498 129 N N 0.068 118.689 118.700 -0.131 0.000 2.545 129 N HA 0.558 5.298 4.740 0.000 0.000 0.289 129 N C 0.623 175.918 175.510 -0.358 0.000 1.279 129 N CA 0.508 53.449 53.050 -0.182 0.000 0.824 129 N CB 1.641 39.671 38.487 -0.762 0.000 1.395 129 N HN 1.466 nan 8.380 nan 0.000 0.526 130 G N 0.712 109.282 108.800 -0.383 0.000 2.225 130 G HA2 -0.188 3.772 3.960 0.000 0.000 0.267 130 G HA3 -0.188 3.772 3.960 0.000 0.000 0.267 130 G C 0.532 175.255 174.900 -0.295 0.000 1.024 130 G CA 0.732 45.602 45.100 -0.382 0.000 0.784 130 G HN 0.659 nan 8.290 nan 0.000 0.507 131 W N -0.846 120.356 121.300 -0.163 0.000 3.239 131 W HA 0.498 5.158 4.660 0.000 0.000 0.368 131 W C 0.431 176.940 176.519 -0.016 0.000 1.154 131 W CA 0.029 57.342 57.345 -0.053 0.000 1.860 131 W CB -0.787 28.666 29.460 -0.012 0.000 1.094 131 W HN 0.714 nan 8.180 nan 0.000 0.643 132 Y N -1.709 118.331 120.300 -0.434 0.000 2.721 132 Y HA 0.629 5.179 4.550 0.000 0.000 0.251 132 Y C 1.639 177.339 175.900 -0.333 0.000 1.136 132 Y CA -0.928 56.865 58.100 -0.511 0.000 1.142 132 Y CB -0.336 37.556 38.460 -0.945 0.000 1.212 132 Y HN -0.148 nan 8.280 nan 0.000 0.565 133 G N 1.268 109.819 108.800 -0.415 0.000 2.499 133 G HA2 -0.134 3.826 3.960 0.000 0.000 0.221 133 G HA3 -0.134 3.826 3.960 0.000 0.000 0.221 133 G C 1.197 176.012 174.900 -0.142 0.000 1.109 133 G CA 1.120 46.065 45.100 -0.258 0.000 0.749 133 G HN 0.665 nan 8.290 nan 0.000 0.568 134 A N -0.923 121.817 122.820 -0.133 0.000 2.545 134 A HA 0.780 5.100 4.320 0.000 0.000 0.263 134 A C 1.088 178.602 177.584 -0.116 0.000 1.202 134 A CA 0.756 52.739 52.037 -0.090 0.000 0.959 134 A CB 0.282 19.245 19.000 -0.062 0.000 1.124 134 A HN 0.728 nan 8.150 nan 0.000 0.543 135 A N 0.188 122.863 122.820 -0.241 0.000 2.450 135 A HA 0.455 4.775 4.320 0.000 0.000 0.255 135 A C 0.629 178.121 177.584 -0.155 0.000 1.096 135 A CA 0.622 52.428 52.037 -0.386 0.000 0.778 135 A CB 0.270 18.605 19.000 -1.107 0.000 1.031 135 A HN 0.309 nan 8.150 nan 0.000 0.494 136 D N 0.656 121.070 120.400 0.024 0.000 2.871 136 D HA 0.027 4.667 4.640 0.000 0.000 0.291 136 D C 1.042 177.475 176.300 0.222 0.000 1.150 136 D CA 1.379 55.472 54.000 0.155 0.000 0.999 136 D CB 0.075 40.921 40.800 0.078 0.000 1.452 136 D HN 0.620 nan 8.370 nan 0.000 0.465 137 T N -1.069 113.581 114.554 0.159 0.000 2.882 137 T HA 0.367 4.718 4.350 0.000 0.000 0.287 137 T C -1.826 173.011 174.700 0.228 0.000 1.014 137 T CA -1.245 60.943 62.100 0.147 0.000 1.049 137 T CB 1.671 70.590 68.868 0.086 0.000 1.001 137 T HN -0.220 nan 8.240 nan 0.000 0.525 138 P HA -0.063 nan 4.420 nan 0.000 0.216 138 P C 1.059 178.450 177.300 0.151 0.000 1.150 138 P CA 1.042 64.219 63.100 0.129 0.000 0.837 138 P CB -0.008 31.711 31.700 0.031 0.000 0.786 139 D N -0.544 119.917 120.400 0.101 0.000 2.144 139 D HA -0.162 4.478 4.640 0.000 0.000 0.199 139 D C 1.741 178.089 176.300 0.081 0.000 0.984 139 D CA 1.040 55.084 54.000 0.073 0.000 0.834 139 D CB -0.267 40.561 40.800 0.046 0.000 0.955 139 D HN 0.196 nan 8.370 nan 0.000 0.465 140 E N -1.095 119.155 120.200 0.084 0.000 2.204 140 E HA -0.144 4.206 4.350 0.000 0.000 0.194 140 E C 1.767 178.361 176.600 -0.010 0.000 0.989 140 E CA 0.438 56.851 56.400 0.021 0.000 0.824 140 E CB -0.128 29.562 29.700 -0.017 0.000 0.756 140 E HN 0.383 nan 8.360 nan 0.000 0.477 141 F N 1.032 120.998 119.950 0.028 0.000 2.163 141 F HA -0.110 4.417 4.527 0.000 0.000 0.297 141 F C 2.454 178.280 175.800 0.044 0.000 1.094 141 F CA 1.120 59.138 58.000 0.030 0.000 1.290 141 F CB -0.327 38.640 39.000 -0.056 0.000 1.017 141 F HN -0.014 nan 8.300 nan 0.000 0.483 142 A N -0.004 122.919 122.820 0.172 0.000 1.902 142 A HA -0.172 4.148 4.320 0.000 0.000 0.217 142 A C 2.330 179.941 177.584 0.045 0.000 1.181 142 A CA 1.332 53.411 52.037 0.071 0.000 0.623 142 A CB -0.451 18.571 19.000 0.036 0.000 0.818 142 A HN 0.135 nan 8.150 nan 0.000 0.443 143 R N -0.322 120.207 120.500 0.048 0.000 2.081 143 R HA -0.051 4.289 4.340 0.000 0.000 0.235 143 R C 2.371 178.698 176.300 0.044 0.000 1.131 143 R CA 1.372 57.489 56.100 0.029 0.000 0.960 143 R CB -1.331 28.982 30.300 0.022 0.000 0.856 143 R HN 0.528 nan 8.270 nan 0.000 0.436 144 A N 1.189 124.063 122.820 0.091 0.000 2.024 144 A HA -0.135 4.185 4.320 0.000 0.000 0.220 144 A C 2.301 180.002 177.584 0.195 0.000 1.164 144 A CA 1.738 53.895 52.037 0.200 0.000 0.643 144 A CB -0.659 18.505 19.000 0.273 0.000 0.806 144 A HN 0.240 nan 8.150 nan 0.000 0.451 145 V N -2.374 117.536 119.914 -0.007 0.000 2.759 145 V HA -0.200 3.920 4.120 0.000 0.000 0.256 145 V C 1.763 177.709 176.094 -0.246 0.000 1.080 145 V CA 2.074 64.150 62.300 -0.373 0.000 1.101 145 V CB -0.940 30.666 31.823 -0.363 0.000 0.698 145 V HN 0.596 nan 8.190 nan 0.000 0.477 146 E N 0.796 120.934 120.200 -0.104 0.000 2.065 146 E HA -0.275 4.076 4.350 0.000 0.000 0.201 146 E C 2.438 179.005 176.600 -0.056 0.000 1.016 146 E CA 2.313 58.672 56.400 -0.067 0.000 0.818 146 E CB -0.253 29.431 29.700 -0.027 0.000 0.749 146 E HN 0.612 nan 8.360 nan 0.000 0.453 147 R N -0.016 120.467 120.500 -0.029 0.000 2.088 147 R HA -0.132 4.208 4.340 0.000 0.000 0.232 147 R C -0.450 175.846 176.300 -0.007 0.000 1.136 147 R CA 2.085 58.185 56.100 0.001 0.000 0.926 147 R CB -1.313 29.012 30.300 0.041 0.000 0.837 147 R HN 0.285 nan 8.270 nan 0.000 0.429 148 P HA -0.175 nan 4.420 nan 0.000 0.216 148 P C 1.320 178.638 177.300 0.029 0.000 1.150 148 P CA 1.488 64.538 63.100 -0.083 0.000 0.837 148 P CB -0.076 31.345 31.700 -0.464 0.000 0.786 149 L N -0.489 120.675 121.223 -0.099 0.000 2.141 149 L HA -0.090 4.250 4.340 0.000 0.000 0.209 149 L C 2.639 179.503 176.870 -0.010 0.000 1.094 149 L CA 1.492 56.300 54.840 -0.054 0.000 0.763 149 L CB -0.712 41.280 42.059 -0.113 0.000 0.908 149 L HN -0.025 nan 8.230 nan 0.000 0.437 150 K N 0.051 120.445 120.400 -0.009 0.000 2.288 150 K HA -0.119 4.201 4.320 0.000 0.000 0.201 150 K C 1.624 178.229 176.600 0.008 0.000 1.048 150 K CA 0.798 57.082 56.287 -0.004 0.000 0.956 150 K CB 0.060 32.557 32.500 -0.004 0.000 0.746 150 K HN 0.389 nan 8.250 nan 0.000 0.461 151 E N -0.409 119.822 120.200 0.051 0.000 2.482 151 E HA -0.031 4.319 4.350 0.000 0.000 0.196 151 E C 0.776 177.333 176.600 -0.073 0.000 1.047 151 E CA 0.401 56.824 56.400 0.039 0.000 0.869 151 E CB 0.332 30.138 29.700 0.176 0.000 0.836 151 E HN 0.485 nan 8.360 nan 0.000 0.520 152 G N 0.549 109.318 108.800 -0.051 0.000 2.168 152 G HA2 -0.248 3.712 3.960 0.000 0.000 0.197 152 G HA3 -0.248 3.712 3.960 0.000 0.000 0.197 152 G C -0.299 174.503 174.900 -0.163 0.000 0.997 152 G CA -0.513 44.513 45.100 -0.124 0.000 0.658 152 G HN 0.184 nan 8.290 nan 0.000 0.513 153 Y N 0.602 120.869 120.300 -0.055 0.000 2.425 153 Y HA 0.414 4.964 4.550 0.000 0.000 0.331 153 Y C 1.755 177.623 175.900 -0.054 0.000 1.157 153 Y CA 1.200 59.273 58.100 -0.046 0.000 1.372 153 Y CB 1.539 39.972 38.460 -0.045 0.000 1.253 153 Y HN 0.084 nan 8.280 nan 0.000 0.536 154 G N 1.584 110.444 108.800 0.099 0.000 2.986 154 G HA2 0.440 4.400 3.960 0.000 0.000 0.213 154 G HA3 0.440 4.400 3.960 0.000 0.000 0.213 154 G C -0.018 174.914 174.900 0.053 0.000 1.156 154 G CA 0.529 45.657 45.100 0.046 0.000 0.763 154 G HN 0.732 nan 8.290 nan 0.000 0.547 155 A N -0.186 122.702 122.820 0.113 0.000 2.549 155 A HA 0.822 5.142 4.320 0.000 0.000 0.297 155 A C -1.484 176.163 177.584 0.105 0.000 1.061 155 A CA -0.525 51.562 52.037 0.084 0.000 0.690 155 A CB 1.390 20.450 19.000 0.100 0.000 1.287 155 A HN 0.178 nan 8.150 nan 0.000 0.402 156 L N 0.804 122.060 121.223 0.055 0.000 2.422 156 L HA 0.643 4.983 4.340 0.000 0.000 0.264 156 L C -0.355 176.685 176.870 0.283 0.000 0.984 156 L CA -0.635 54.299 54.840 0.158 0.000 0.819 156 L CB 2.495 44.516 42.059 -0.063 0.000 1.330 156 L HN 0.810 nan 8.230 nan 0.000 0.410 157 K N 2.491 123.170 120.400 0.465 0.000 2.318 157 K HA 0.817 5.137 4.320 0.000 0.000 0.249 157 K C -1.630 175.262 176.600 0.488 0.000 0.942 157 K CA -0.476 55.957 56.287 0.243 0.000 0.808 157 K CB 1.986 34.456 32.500 -0.050 0.000 1.189 157 K HN 0.500 nan 8.250 nan 0.000 0.428 158 F N 0.329 120.240 119.950 -0.064 0.000 2.693 158 F HA 0.379 4.906 4.527 0.000 0.000 0.309 158 F C -1.958 173.695 175.800 -0.244 0.000 1.129 158 F CA -1.378 56.327 58.000 -0.492 0.000 0.948 158 F CB 0.735 39.146 39.000 -0.982 0.000 1.315 158 F HN 0.403 nan 8.300 nan 0.000 0.447 159 Y N 4.922 125.019 120.300 -0.339 0.000 2.434 159 Y HA 0.550 5.100 4.550 0.000 0.000 0.341 159 Y C -2.242 173.586 175.900 -0.120 0.000 0.965 159 Y CA -2.927 55.088 58.100 -0.142 0.000 1.205 159 Y CB 1.768 40.272 38.460 0.074 0.000 1.121 159 Y HN 0.432 nan 8.280 nan 0.000 0.507 160 P HA 0.107 nan 4.420 nan 0.000 0.261 160 P C 0.075 177.022 177.300 -0.590 0.000 1.352 160 P CA 0.469 63.283 63.100 -0.475 0.000 0.891 160 P CB 0.336 31.857 31.700 -0.297 0.000 1.383 161 L N -1.176 119.423 121.223 -1.040 0.000 2.728 161 L HA 0.372 4.712 4.340 0.000 0.000 0.238 161 L C 1.109 177.662 176.870 -0.528 0.000 1.143 161 L CA -0.525 53.834 54.840 -0.802 0.000 0.937 161 L CB -0.124 41.487 42.059 -0.746 0.000 1.225 161 L HN -0.130 nan 8.230 nan 0.000 0.507 162 A N 0.849 123.421 122.820 -0.414 0.000 2.531 162 A HA 0.215 4.535 4.320 0.000 0.000 0.236 162 A C 0.131 177.718 177.584 0.007 0.000 1.062 162 A CA 0.386 52.426 52.037 0.005 0.000 0.760 162 A CB 0.189 19.283 19.000 0.157 0.000 0.995 162 A HN 0.290 nan 8.150 nan 0.000 0.501 163 Q N 1.015 120.843 119.800 0.048 0.000 2.325 163 Q HA 0.253 4.593 4.340 0.000 0.000 0.270 163 Q C -0.491 175.538 176.000 0.048 0.000 1.020 163 Q CA -0.510 55.315 55.803 0.036 0.000 0.785 163 Q CB 2.063 30.821 28.738 0.034 0.000 1.259 163 Q HN 0.787 nan 8.270 nan 0.000 0.452 164 R N 2.078 122.604 120.500 0.043 0.000 2.343 164 R HA 0.308 4.648 4.340 0.000 0.000 0.326 164 R C -1.039 175.281 176.300 0.034 0.000 1.055 164 R CA 0.064 56.188 56.100 0.040 0.000 0.961 164 R CB 0.192 30.515 30.300 0.038 0.000 0.978 164 R HN 0.276 nan 8.270 nan 0.000 0.443 165 V N 4.164 124.099 119.914 0.035 0.000 2.525 165 V HA 0.397 4.517 4.120 0.000 0.000 0.299 165 V C 0.607 176.717 176.094 0.027 0.000 1.034 165 V CA -0.382 61.937 62.300 0.031 0.000 0.863 165 V CB 1.726 33.570 31.823 0.036 0.000 0.999 165 V HN 1.009 nan 8.190 nan 0.000 0.423 166 G N 4.878 113.692 108.800 0.023 0.000 2.371 166 G HA2 -0.114 3.846 3.960 0.000 0.000 0.299 166 G HA3 -0.114 3.846 3.960 0.000 0.000 0.299 166 G C 0.794 175.705 174.900 0.018 0.000 1.014 166 G CA 1.011 46.123 45.100 0.020 0.000 1.097 166 G HN 2.460 nan 8.290 nan 0.000 0.512 167 S N -4.797 110.914 115.700 0.018 0.000 2.608 167 S HA -0.035 4.436 4.470 0.000 0.000 0.256 167 S C 1.126 175.735 174.600 0.016 0.000 1.270 167 S CA 2.001 60.210 58.200 0.016 0.000 1.465 167 S CB -1.596 61.611 63.200 0.012 0.000 1.833 167 S HN 2.551 nan 8.310 nan 0.000 0.641 168 A N 1.059 123.891 122.820 0.021 0.000 2.337 168 A HA 0.828 5.148 4.320 0.000 0.000 0.331 168 A C -0.382 177.222 177.584 0.032 0.000 1.137 168 A CA -0.673 51.377 52.037 0.022 0.000 0.807 168 A CB 0.818 19.832 19.000 0.023 0.000 1.250 168 A HN 0.630 nan 8.150 nan 0.000 0.468 169 L N 1.592 122.835 121.223 0.034 0.000 2.289 169 L HA 0.501 4.841 4.340 0.000 0.000 0.285 169 L C 0.433 177.339 176.870 0.060 0.000 1.049 169 L CA 0.509 55.379 54.840 0.050 0.000 0.804 169 L CB 1.178 43.268 42.059 0.052 0.000 1.195 169 L HN 0.912 nan 8.230 nan 0.000 0.428 170 Q N 0.994 120.841 119.800 0.078 0.000 2.501 170 Q HA 0.535 4.875 4.340 0.000 0.000 0.288 170 Q C -1.026 175.058 176.000 0.140 0.000 1.051 170 Q CA -1.037 54.831 55.803 0.109 0.000 0.788 170 Q CB 1.543 30.351 28.738 0.116 0.000 1.469 170 Q HN 0.472 nan 8.270 nan 0.000 0.416 171 H N -0.327 118.841 119.070 0.164 0.000 2.801 171 H HA 0.179 4.736 4.556 0.000 0.000 0.377 171 H C -0.059 175.380 175.328 0.185 0.000 1.304 171 H CA 0.110 56.298 56.048 0.233 0.000 1.451 171 H CB 0.526 30.340 29.762 0.086 0.000 1.474 171 H HN 0.340 nan 8.280 nan 0.000 0.620 172 V N 1.380 121.503 119.914 0.349 0.000 2.788 172 V HA -0.049 4.071 4.120 0.000 0.000 0.307 172 V C 0.606 176.783 176.094 0.137 0.000 1.069 172 V CA 0.603 63.010 62.300 0.179 0.000 1.173 172 V CB 0.621 32.531 31.823 0.144 0.000 0.925 172 V HN 0.737 nan 8.190 nan 0.000 0.492 173 T N 6.269 120.874 114.554 0.085 0.000 2.767 173 T HA 0.390 4.740 4.350 0.000 0.000 0.284 173 T C 0.557 175.285 174.700 0.046 0.000 0.973 173 T CA -0.471 61.668 62.100 0.065 0.000 0.996 173 T CB 0.424 69.323 68.868 0.051 0.000 0.927 173 T HN 0.712 nan 8.240 nan 0.000 0.456 174 R N 2.584 123.110 120.500 0.042 0.000 3.405 174 R HA -0.219 4.121 4.340 0.000 0.000 0.258 174 R C 0.321 176.638 176.300 0.028 0.000 1.030 174 R CA 0.374 56.492 56.100 0.031 0.000 0.691 174 R CB -1.489 28.825 30.300 0.022 0.000 1.093 174 R HN 0.740 nan 8.270 nan 0.000 0.448 175 R N -1.921 118.602 120.500 0.037 0.000 3.741 175 R HA -0.222 4.118 4.340 0.000 0.000 0.292 175 R C -0.410 175.897 176.300 0.013 0.000 1.176 175 R CA 1.336 57.454 56.100 0.030 0.000 0.794 175 R CB -1.361 28.956 30.300 0.027 0.000 1.213 175 R HN 0.399 nan 8.270 nan 0.000 0.494 179 A N 0.887 123.701 122.820 -0.009 0.000 1.940 179 A HA -0.096 4.224 4.320 0.000 0.000 0.219 179 A C 1.921 179.505 177.584 0.000 0.000 1.176 179 A CA 2.113 54.147 52.037 -0.005 0.000 0.631 179 A CB -1.106 17.893 19.000 -0.001 0.000 0.814 179 A HN 0.973 nan 8.150 nan 0.000 0.446 180 E N -0.204 119.997 120.200 0.001 0.000 2.077 180 E HA -0.108 4.242 4.350 0.000 0.000 0.193 180 E C 2.099 178.700 176.600 0.002 0.000 0.989 180 E CA 0.994 57.398 56.400 0.007 0.000 0.800 180 E CB -0.254 29.451 29.700 0.008 0.000 0.746 180 E HN 0.547 nan 8.360 nan 0.000 0.452 181 A N 0.969 123.780 122.820 -0.015 0.000 1.930 181 A HA -0.115 4.206 4.320 0.000 0.000 0.217 181 A C 2.124 179.669 177.584 -0.064 0.000 1.175 181 A CA 1.062 53.077 52.037 -0.037 0.000 0.627 181 A CB -0.489 18.483 19.000 -0.047 0.000 0.815 181 A HN 0.328 nan 8.150 nan 0.000 0.443 182 I N -0.676 119.858 120.570 -0.060 0.000 2.315 182 I HA -0.197 3.973 4.170 0.000 0.000 0.248 182 I C 2.514 178.657 176.117 0.043 0.000 1.117 182 I CA 1.669 62.921 61.300 -0.080 0.000 1.404 182 I CB -0.299 37.671 38.000 -0.050 0.000 1.071 182 I HN 0.396 nan 8.210 nan 0.000 0.419 183 E N 1.828 122.066 120.200 0.064 0.000 2.077 183 E HA -0.226 4.125 4.350 0.000 0.000 0.193 183 E C 2.199 178.884 176.600 0.142 0.000 0.989 183 E CA 1.311 57.787 56.400 0.127 0.000 0.800 183 E CB -0.405 29.343 29.700 0.079 0.000 0.746 183 E HN 0.442 nan 8.360 nan 0.000 0.452 184 L N -0.295 120.964 121.223 0.060 0.000 2.042 184 L HA -0.194 4.147 4.340 0.000 0.000 0.210 184 L C 2.270 179.139 176.870 -0.002 0.000 1.076 184 L CA 1.667 56.523 54.840 0.026 0.000 0.749 184 L CB -0.512 41.547 42.059 0.000 0.000 0.893 184 L HN 0.314 nan 8.230 nan 0.000 0.432 185 A N -0.740 122.069 122.820 -0.019 0.000 1.877 185 A HA -0.324 3.996 4.320 0.000 0.000 0.216 185 A C 2.131 179.821 177.584 0.178 0.000 1.186 185 A CA 1.852 53.854 52.037 -0.059 0.000 0.620 185 A CB -1.118 17.698 19.000 -0.306 0.000 0.822 185 A HN 0.656 nan 8.150 nan 0.000 0.443 186 Y N 0.658 121.110 120.300 0.253 0.000 2.145 186 Y HA -0.214 4.336 4.550 0.000 0.000 0.286 186 Y C 2.406 178.336 175.900 0.050 0.000 1.145 186 Y CA 2.059 60.281 58.100 0.204 0.000 1.148 186 Y CB -0.202 38.344 38.460 0.144 0.000 0.981 186 Y HN 0.170 nan 8.280 nan 0.000 0.507 187 R N 0.642 121.080 120.500 -0.104 0.000 2.127 187 R HA -0.129 4.212 4.340 0.000 0.000 0.238 187 R C 2.303 178.472 176.300 -0.219 0.000 1.134 187 R CA 1.569 57.547 56.100 -0.204 0.000 0.975 187 R CB -0.683 29.600 30.300 -0.029 0.000 0.865 187 R HN 0.460 nan 8.270 nan 0.000 0.447 188 R N -0.042 120.332 120.500 -0.209 0.000 2.073 188 R HA -0.061 4.279 4.340 0.000 0.000 0.234 188 R C 2.360 178.487 176.300 -0.288 0.000 1.134 188 R CA 1.429 57.316 56.100 -0.356 0.000 0.952 188 R CB -0.491 29.398 30.300 -0.684 0.000 0.850 188 R HN -0.015 nan 8.270 nan 0.000 0.433 189 V N 1.532 121.357 119.914 -0.148 0.000 2.295 189 V HA -0.287 3.833 4.120 0.000 0.000 0.246 189 V C 2.380 178.400 176.094 -0.123 0.000 1.049 189 V CA 1.874 64.190 62.300 0.028 0.000 1.024 189 V CB -0.491 31.335 31.823 0.004 0.000 0.648 189 V HN 0.336 nan 8.190 nan 0.000 0.447 190 K N 0.290 120.492 120.400 -0.330 0.000 2.057 190 K HA -0.179 4.141 4.320 0.000 0.000 0.207 190 K C 2.183 178.674 176.600 -0.183 0.000 1.049 190 K CA 1.542 57.636 56.287 -0.323 0.000 0.931 190 K CB -0.331 31.842 32.500 -0.545 0.000 0.714 190 K HN 0.427 nan 8.250 nan 0.000 0.440 191 A N 0.579 123.300 122.820 -0.165 0.000 1.933 191 A HA -0.105 4.215 4.320 0.000 0.000 0.218 191 A C 2.202 179.739 177.584 -0.077 0.000 1.175 191 A CA 1.618 53.601 52.037 -0.089 0.000 0.628 191 A CB -0.548 18.426 19.000 -0.042 0.000 0.814 191 A HN 0.180 nan 8.150 nan 0.000 0.444 192 V N 0.107 119.949 119.914 -0.120 0.000 2.358 192 V HA -0.215 3.906 4.120 0.000 0.000 0.246 192 V C 2.665 178.692 176.094 -0.111 0.000 1.047 192 V CA 2.270 64.476 62.300 -0.157 0.000 1.035 192 V CB -0.818 30.748 31.823 -0.428 0.000 0.658 192 V HN 0.660 nan 8.190 nan 0.000 0.452 193 R N 1.080 121.533 120.500 -0.077 0.000 2.073 193 R HA -0.150 4.190 4.340 0.000 0.000 0.234 193 R C 1.838 178.102 176.300 -0.059 0.000 1.134 193 R CA 2.028 58.094 56.100 -0.055 0.000 0.952 193 R CB -0.988 29.284 30.300 -0.047 0.000 0.850 193 R HN 0.495 nan 8.270 nan 0.000 0.433 194 D N 0.113 120.476 120.400 -0.063 0.000 2.097 194 D HA -0.109 4.532 4.640 0.000 0.000 0.195 194 D C 1.704 177.976 176.300 -0.047 0.000 0.989 194 D CA 1.907 55.877 54.000 -0.050 0.000 0.827 194 D CB -0.438 40.334 40.800 -0.047 0.000 0.966 194 D HN 0.394 nan 8.370 nan 0.000 0.456 195 A N 0.812 123.600 122.820 -0.054 0.000 1.930 195 A HA 0.058 4.378 4.320 0.000 0.000 0.217 195 A C 2.247 179.788 177.584 -0.071 0.000 1.175 195 A CA 1.910 53.915 52.037 -0.054 0.000 0.627 195 A CB -0.489 18.482 19.000 -0.048 0.000 0.815 195 A HN 0.232 nan 8.150 nan 0.000 0.443 196 A N -1.398 121.368 122.820 -0.090 0.000 2.016 196 A HA 0.443 4.764 4.320 0.000 0.000 0.217 196 A C 1.543 179.085 177.584 -0.069 0.000 1.162 196 A CA 1.472 53.449 52.037 -0.101 0.000 0.662 196 A CB -0.970 17.953 19.000 -0.127 0.000 0.812 196 A HN 2.144 nan 8.150 nan 0.000 0.450 197 G N -1.475 107.292 108.800 -0.055 0.000 2.707 197 G HA2 -0.084 3.876 3.960 0.000 0.000 0.686 197 G HA3 -0.084 3.876 3.960 0.000 0.000 0.686 197 G C -1.422 173.457 174.900 -0.036 0.000 1.315 197 G CA -0.187 44.888 45.100 -0.041 0.000 0.832 197 G HN 0.167 nan 8.290 nan 0.000 0.573 198 P HA 0.015 nan 4.420 nan 0.000 0.225 198 P C 0.975 178.262 177.300 -0.021 0.000 1.156 198 P CA 1.391 64.477 63.100 -0.023 0.000 0.787 198 P CB 0.162 31.852 31.700 -0.018 0.000 0.802 199 E N -0.631 119.556 120.200 -0.021 0.000 2.502 199 E HA 0.063 4.413 4.350 0.000 0.000 0.194 199 E C 0.516 177.104 176.600 -0.019 0.000 1.062 199 E CA 0.059 56.449 56.400 -0.017 0.000 0.867 199 E CB 0.101 29.792 29.700 -0.014 0.000 0.888 199 E HN 0.271 nan 8.360 nan 0.000 0.510 200 I N 2.138 122.691 120.570 -0.028 0.000 2.353 200 I HA 0.118 4.288 4.170 0.000 0.000 0.293 200 I C 0.500 176.599 176.117 -0.030 0.000 0.992 200 I CA -0.472 60.809 61.300 -0.031 0.000 1.268 200 I CB 1.083 39.051 38.000 -0.053 0.000 1.387 200 I HN -0.099 nan 8.210 nan 0.000 0.478 201 E N 6.180 126.363 120.200 -0.028 0.000 2.289 201 E HA 0.467 4.817 4.350 0.000 0.000 0.278 201 E C -0.632 175.931 176.600 -0.062 0.000 1.032 201 E CA -0.323 56.047 56.400 -0.049 0.000 0.854 201 E CB 1.512 31.182 29.700 -0.051 0.000 1.046 201 E HN 0.400 nan 8.360 nan 0.000 0.409 205 D N 4.050 124.362 120.400 -0.147 0.000 2.280 205 D HA 0.544 5.184 4.640 0.000 0.000 0.236 205 D C 0.574 176.999 176.300 0.207 0.000 1.082 205 D CA -0.264 53.782 54.000 0.077 0.000 0.834 205 D CB 1.699 42.577 40.800 0.130 0.000 1.100 205 D HN 0.463 nan 8.370 nan 0.000 0.486 206 L N 2.500 123.845 121.223 0.203 0.000 2.585 206 L HA 0.134 4.474 4.340 0.000 0.000 0.226 206 L C 1.092 178.177 176.870 0.358 0.000 1.113 206 L CA -0.222 54.778 54.840 0.266 0.000 0.876 206 L CB -0.162 41.985 42.059 0.147 0.000 1.072 206 L HN 0.513 nan 8.230 nan 0.000 0.468 207 S N 0.860 116.689 115.700 0.215 0.000 3.427 207 S HA -0.253 4.217 4.470 0.000 0.000 0.373 207 S C 1.203 175.863 174.600 0.099 0.000 0.973 207 S CA 0.989 59.244 58.200 0.092 0.000 1.218 207 S CB -1.093 62.072 63.200 -0.057 0.000 0.912 207 S HN 0.914 nan 8.310 nan 0.000 0.483 208 G N -1.221 107.634 108.800 0.093 0.000 2.307 208 G HA2 0.185 4.145 3.960 0.000 0.000 0.210 208 G HA3 0.185 4.145 3.960 0.000 0.000 0.210 208 G C 1.201 176.152 174.900 0.085 0.000 1.005 208 G CA 0.623 45.767 45.100 0.072 0.000 0.634 208 G HN 2.229 nan 8.290 nan 0.000 0.496 209 G N -0.115 108.755 108.800 0.118 0.000 2.575 209 G HA2 -0.039 3.922 3.960 0.000 0.000 0.267 209 G HA3 -0.039 3.922 3.960 0.000 0.000 0.267 209 G C 0.425 175.352 174.900 0.046 0.000 1.264 209 G CA 0.620 45.765 45.100 0.074 0.000 0.935 209 G HN 1.369 nan 8.290 nan 0.000 0.568 210 L N -0.349 120.885 121.223 0.018 0.000 2.755 210 L HA 0.649 4.989 4.340 0.000 0.000 0.243 210 L C 1.591 178.473 176.870 0.020 0.000 1.579 210 L CA -0.348 54.497 54.840 0.008 0.000 1.669 210 L CB 0.242 42.289 42.059 -0.020 0.000 2.294 210 L HN 0.945 nan 8.230 nan 0.000 0.588 211 T N -3.488 111.074 114.554 0.014 0.000 2.868 211 T HA 0.090 4.440 4.350 0.000 0.000 0.292 211 T C 1.007 175.719 174.700 0.021 0.000 1.028 211 T CA -0.292 61.818 62.100 0.017 0.000 1.059 211 T CB 1.080 69.955 68.868 0.011 0.000 0.991 211 T HN 0.522 nan 8.240 nan 0.000 0.531 212 T N 1.886 116.452 114.554 0.021 0.000 2.620 212 T HA -0.225 4.126 4.350 0.000 0.000 0.267 212 T C 1.791 176.507 174.700 0.026 0.000 1.044 212 T CA 2.094 64.209 62.100 0.024 0.000 1.161 212 T CB -0.710 68.169 68.868 0.019 0.000 0.862 212 T HN 0.940 nan 8.240 nan 0.000 0.438 213 D N 1.581 121.993 120.400 0.020 0.000 2.092 213 D HA -0.165 4.475 4.640 0.000 0.000 0.193 213 D C 1.921 178.238 176.300 0.029 0.000 0.994 213 D CA 1.199 55.211 54.000 0.020 0.000 0.828 213 D CB -0.597 40.211 40.800 0.013 0.000 0.963 213 D HN 0.261 nan 8.370 nan 0.000 0.450 214 E N 0.044 120.260 120.200 0.027 0.000 2.204 214 E HA -0.070 4.280 4.350 0.000 0.000 0.194 214 E C 2.240 178.883 176.600 0.071 0.000 0.989 214 E CA 0.969 57.391 56.400 0.036 0.000 0.824 214 E CB -0.535 29.171 29.700 0.011 0.000 0.756 214 E HN 0.428 nan 8.360 nan 0.000 0.477 215 T N 1.483 116.076 114.554 0.065 0.000 2.777 215 T HA -0.033 4.317 4.350 0.000 0.000 0.266 215 T C 2.121 176.894 174.700 0.123 0.000 1.040 215 T CA 0.669 62.832 62.100 0.105 0.000 1.141 215 T CB -0.138 68.775 68.868 0.075 0.000 0.868 215 T HN 0.100 nan 8.240 nan 0.000 0.444 216 I N 0.853 121.467 120.570 0.073 0.000 2.163 216 I HA -0.201 3.969 4.170 0.000 0.000 0.243 216 I C 2.809 178.955 176.117 0.049 0.000 1.085 216 I CA 1.342 62.673 61.300 0.051 0.000 1.347 216 I CB -0.349 37.669 38.000 0.030 0.000 1.044 216 I HN 0.147 nan 8.210 nan 0.000 0.408 217 R N 0.682 121.217 120.500 0.059 0.000 2.083 217 R HA -0.253 4.088 4.340 0.000 0.000 0.237 217 R C 2.450 178.793 176.300 0.071 0.000 1.137 217 R CA 1.959 58.088 56.100 0.047 0.000 0.951 217 R CB -0.476 29.852 30.300 0.047 0.000 0.851 217 R HN 0.246 nan 8.270 nan 0.000 0.434 218 F N 0.863 120.797 119.950 -0.027 0.000 2.134 218 F HA -0.195 4.333 4.527 0.000 0.000 0.299 218 F C 2.187 177.981 175.800 -0.011 0.000 1.097 218 F CA 1.353 59.339 58.000 -0.022 0.000 1.264 218 F CB -0.587 38.402 39.000 -0.019 0.000 1.001 218 F HN 0.099 nan 8.300 nan 0.000 0.479 219 C N 0.640 119.921 119.300 -0.031 0.000 2.425 219 C HA -0.137 4.323 4.460 0.000 0.000 0.277 219 C C 2.817 177.720 174.990 -0.145 0.000 1.280 219 C CA 1.058 60.002 59.018 -0.123 0.000 1.744 219 C CB -1.288 26.450 27.740 -0.002 0.000 1.989 219 C HN 0.437 nan 8.230 nan 0.000 0.491 220 R N 0.799 121.243 120.500 -0.093 0.000 2.066 220 R HA -0.135 4.205 4.340 0.000 0.000 0.232 220 R C 2.328 178.554 176.300 -0.124 0.000 1.131 220 R CA 1.317 57.367 56.100 -0.084 0.000 0.955 220 R CB -0.314 29.954 30.300 -0.053 0.000 0.851 220 R HN 0.529 nan 8.270 nan 0.000 0.432 221 K N 1.341 121.637 120.400 -0.174 0.000 2.063 221 K HA -0.141 4.180 4.320 0.000 0.000 0.208 221 K C 1.930 178.427 176.600 -0.171 0.000 1.048 221 K CA 1.615 57.766 56.287 -0.227 0.000 0.928 221 K CB -0.097 32.219 32.500 -0.307 0.000 0.713 221 K HN 0.304 nan 8.250 nan 0.000 0.442 222 I N -3.008 117.409 120.570 -0.255 0.000 3.564 222 I HA 0.142 4.312 4.170 0.000 0.000 0.294 222 I C 1.730 177.784 176.117 -0.105 0.000 1.289 222 I CA 0.562 61.768 61.300 -0.157 0.000 1.325 222 I CB -0.268 37.507 38.000 -0.376 0.000 1.039 222 I HN 0.015 nan 8.210 nan 0.000 0.474 223 G N 2.685 111.423 108.800 -0.102 0.000 2.450 223 G HA2 -0.276 3.685 3.960 0.000 0.000 0.220 223 G HA3 -0.276 3.685 3.960 0.000 0.000 0.220 223 G C 1.408 176.285 174.900 -0.039 0.000 1.130 223 G CA 1.003 46.063 45.100 -0.066 0.000 0.760 223 G HN 0.798 nan 8.290 nan 0.000 0.557 224 E N 0.110 120.298 120.200 -0.021 0.000 2.494 224 E HA 0.172 4.522 4.350 0.000 0.000 0.193 224 E C 1.509 178.107 176.600 -0.003 0.000 1.074 224 E CA -0.112 56.284 56.400 -0.007 0.000 0.867 224 E CB -0.137 29.566 29.700 0.004 0.000 0.924 224 E HN 0.428 nan 8.360 nan 0.000 0.502 225 L N 1.148 122.364 121.223 -0.012 0.000 2.653 225 L HA 0.141 4.481 4.340 0.000 0.000 0.231 225 L C -0.116 176.737 176.870 -0.028 0.000 1.153 225 L CA -0.272 54.555 54.840 -0.021 0.000 0.933 225 L CB -0.357 41.679 42.059 -0.037 0.000 1.175 225 L HN 0.090 nan 8.230 nan 0.000 0.473 226 D N 1.749 122.132 120.400 -0.029 0.000 2.956 226 D HA -0.191 4.449 4.640 0.000 0.000 0.240 226 D C -0.297 175.976 176.300 -0.044 0.000 1.141 226 D CA 0.287 54.268 54.000 -0.031 0.000 0.820 226 D CB -0.369 40.416 40.800 -0.024 0.000 0.988 226 D HN -0.026 nan 8.370 nan 0.000 0.417 227 I N 1.596 122.132 120.570 -0.057 0.000 2.441 227 I HA 0.074 4.244 4.170 0.000 0.000 0.287 227 I C 2.233 178.299 176.117 -0.084 0.000 1.049 227 I CA -0.561 60.686 61.300 -0.087 0.000 1.381 227 I CB 0.465 38.403 38.000 -0.103 0.000 1.409 227 I HN 0.457 nan 8.210 nan 0.000 0.523 228 C N 7.551 126.763 119.300 -0.145 0.000 2.442 228 C HA -0.060 4.400 4.460 0.000 0.000 0.279 228 C C 0.699 175.692 174.990 0.005 0.000 1.237 228 C CA 0.753 59.701 59.018 -0.116 0.000 1.722 228 C CB -0.581 27.011 27.740 -0.246 0.000 2.056 228 C HN 0.729 nan 8.230 nan 0.000 0.469 229 F N -1.924 117.980 119.950 -0.077 0.000 2.693 229 F HA 0.619 5.147 4.527 0.000 0.000 0.309 229 F C -1.145 174.605 175.800 -0.083 0.000 1.129 229 F CA -1.631 56.327 58.000 -0.069 0.000 0.948 229 F CB 0.787 39.750 39.000 -0.062 0.000 1.315 229 F HN -0.112 nan 8.300 nan 0.000 0.447 230 V N 1.809 121.911 119.914 0.313 0.000 2.435 230 V HA 0.512 4.632 4.120 0.000 0.000 0.290 230 V C -0.744 175.508 176.094 0.263 0.000 1.030 230 V CA -0.200 62.216 62.300 0.193 0.000 0.881 230 V CB 1.442 33.318 31.823 0.089 0.000 0.983 230 V HN 0.980 nan 8.190 nan 0.000 0.445 231 E N 4.341 124.686 120.200 0.240 0.000 2.191 231 E HA 0.346 4.696 4.350 0.000 0.000 0.278 231 E C -0.253 176.403 176.600 0.092 0.000 0.972 231 E CA -0.379 56.120 56.400 0.165 0.000 0.804 231 E CB 0.849 30.687 29.700 0.229 0.000 1.110 231 E HN 0.839 nan 8.360 nan 0.000 0.394 232 E N 3.120 123.343 120.200 0.039 0.000 2.197 232 E HA -0.173 4.178 4.350 0.000 0.000 0.184 232 E C -1.849 174.781 176.600 0.050 0.000 1.439 232 E CA 0.082 56.495 56.400 0.022 0.000 0.688 232 E CB -0.415 29.292 29.700 0.011 0.000 1.090 232 E HN 0.536 nan 8.360 nan 0.000 0.341 233 P HA -0.136 nan 4.420 nan 0.000 0.225 233 P C 0.735 178.068 177.300 0.055 0.000 1.148 233 P CA 1.260 64.399 63.100 0.065 0.000 0.779 233 P CB -0.073 31.662 31.700 0.058 0.000 0.780 234 C N -3.122 116.201 119.300 0.039 0.000 3.285 234 C HA 0.538 4.998 4.460 0.000 0.000 0.320 234 C C -0.178 174.830 174.990 0.031 0.000 1.411 234 C CA -1.370 57.670 59.018 0.037 0.000 1.429 234 C CB 0.965 28.724 27.740 0.030 0.000 1.812 234 C HN -0.005 nan 8.230 nan 0.000 0.454 235 D N 1.757 122.184 120.400 0.044 0.000 2.487 235 D HA 0.152 4.792 4.640 0.000 0.000 0.243 235 D C -1.360 174.966 176.300 0.043 0.000 1.154 235 D CA -0.633 53.401 54.000 0.056 0.000 0.876 235 D CB 1.234 42.093 40.800 0.097 0.000 1.161 235 D HN 0.369 nan 8.370 nan 0.000 0.478 236 P HA -0.105 nan 4.420 nan 0.000 0.222 236 P C 1.126 178.396 177.300 -0.050 0.000 1.142 236 P CA 0.849 63.896 63.100 -0.088 0.000 0.788 236 P CB 0.002 31.598 31.700 -0.172 0.000 0.767 237 F N -0.929 118.995 119.950 -0.044 0.000 2.367 237 F HA -0.032 4.496 4.527 0.000 0.000 0.298 237 F C 1.046 176.826 175.800 -0.033 0.000 1.094 237 F CA 0.168 58.150 58.000 -0.031 0.000 1.409 237 F CB 0.274 39.266 39.000 -0.013 0.000 1.064 237 F HN -0.204 nan 8.300 nan 0.000 0.528 238 D N 0.234 120.737 120.400 0.172 0.000 2.485 238 D HA 0.060 4.700 4.640 0.000 0.000 0.221 238 D C 0.328 176.650 176.300 0.037 0.000 1.112 238 D CA 0.023 54.072 54.000 0.082 0.000 0.911 238 D CB 0.073 40.907 40.800 0.056 0.000 1.019 238 D HN 0.037 nan 8.370 nan 0.000 0.516 239 N N 1.707 120.421 118.700 0.023 0.000 2.457 239 N HA -0.029 4.711 4.740 0.000 0.000 0.180 239 N C 1.753 177.263 175.510 0.000 0.000 1.050 239 N CA 0.380 53.426 53.050 -0.007 0.000 0.906 239 N CB 0.306 38.778 38.487 -0.025 0.000 0.968 239 N HN 0.505 nan 8.380 nan 0.000 0.445 240 G N 0.777 109.583 108.800 0.009 0.000 2.404 240 G HA2 -0.145 3.815 3.960 0.000 0.000 0.215 240 G HA3 -0.145 3.815 3.960 0.000 0.000 0.215 240 G C 1.631 176.536 174.900 0.009 0.000 1.174 240 G CA 0.930 46.035 45.100 0.009 0.000 0.780 240 G HN 0.376 nan 8.290 nan 0.000 0.537 241 A N 0.384 123.212 122.820 0.012 0.000 1.933 241 A HA 0.072 4.392 4.320 0.000 0.000 0.218 241 A C 2.345 179.936 177.584 0.012 0.000 1.175 241 A CA 1.625 53.670 52.037 0.014 0.000 0.628 241 A CB -0.438 18.573 19.000 0.019 0.000 0.814 241 A HN 0.418 nan 8.150 nan 0.000 0.444 242 L N -0.143 121.084 121.223 0.007 0.000 2.012 242 L HA -0.170 4.171 4.340 0.000 0.000 0.210 242 L C 2.277 179.150 176.870 0.004 0.000 1.073 242 L CA 2.757 57.597 54.840 0.001 0.000 0.748 242 L CB -0.529 41.520 42.059 -0.017 0.000 0.891 242 L HN 0.349 nan 8.230 nan 0.000 0.431 243 K N -0.836 119.566 120.400 0.004 0.000 2.026 243 K HA -0.093 4.227 4.320 0.000 0.000 0.208 243 K C 1.877 178.484 176.600 0.012 0.000 1.048 243 K CA 2.001 58.293 56.287 0.009 0.000 0.929 243 K CB -0.669 31.837 32.500 0.010 0.000 0.713 243 K HN 0.249 nan 8.250 nan 0.000 0.439 244 V N 1.101 121.022 119.914 0.012 0.000 2.343 244 V HA -0.240 3.880 4.120 0.000 0.000 0.247 244 V C 2.289 178.392 176.094 0.014 0.000 1.051 244 V CA 2.006 64.313 62.300 0.013 0.000 1.036 244 V CB -0.401 31.429 31.823 0.012 0.000 0.654 244 V HN 0.296 nan 8.190 nan 0.000 0.451 245 I N 1.029 121.609 120.570 0.016 0.000 2.226 245 I HA -0.230 3.940 4.170 0.000 0.000 0.245 245 I C 2.700 178.828 176.117 0.018 0.000 1.100 245 I CA 1.780 63.092 61.300 0.020 0.000 1.374 245 I CB -0.547 37.469 38.000 0.025 0.000 1.057 245 I HN 0.498 nan 8.210 nan 0.000 0.413 246 S N 0.622 116.332 115.700 0.016 0.000 2.400 246 S HA -0.209 4.262 4.470 0.000 0.000 0.232 246 S C 1.622 176.231 174.600 0.016 0.000 1.025 246 S CA 1.282 59.492 58.200 0.016 0.000 0.993 246 S CB -0.513 62.697 63.200 0.016 0.000 0.808 246 S HN 0.556 nan 8.310 nan 0.000 0.478 247 E N 0.203 120.411 120.200 0.015 0.000 2.478 247 E HA 0.102 4.452 4.350 0.000 0.000 0.194 247 E C 1.541 178.147 176.600 0.010 0.000 1.045 247 E CA 0.266 56.674 56.400 0.013 0.000 0.868 247 E CB 0.076 29.784 29.700 0.013 0.000 0.885 247 E HN 0.490 nan 8.360 nan 0.000 0.505 248 Q N -0.000 119.806 119.800 0.011 0.000 2.246 248 Q HA 0.218 4.558 4.340 0.000 0.000 0.222 248 Q C 0.776 176.779 176.000 0.006 0.000 0.851 248 Q CA 0.162 55.970 55.803 0.008 0.000 0.945 248 Q CB 1.087 29.831 28.738 0.010 0.000 1.122 248 Q HN 0.366 nan 8.270 nan 0.000 0.508 249 I N -2.325 118.250 120.570 0.007 0.000 2.693 249 I HA 0.481 4.651 4.170 0.000 0.000 0.303 249 I C -1.866 174.251 176.117 0.001 0.000 1.025 249 I CA -2.349 58.953 61.300 0.003 0.000 1.086 249 I CB 2.267 40.271 38.000 0.008 0.000 1.268 249 I HN -0.289 nan 8.210 nan 0.000 0.440 250 P HA 0.221 nan 4.420 nan 0.000 0.249 250 P C -0.207 177.092 177.300 -0.001 0.000 1.229 250 P CA 0.335 63.431 63.100 -0.006 0.000 0.788 250 P CB 0.322 32.013 31.700 -0.015 0.000 1.072 251 L N 0.840 122.065 121.223 0.003 0.000 2.325 251 L HA 0.485 4.825 4.340 0.000 0.000 0.278 251 L C -2.375 174.518 176.870 0.038 0.000 1.023 251 L CA -2.677 52.173 54.840 0.016 0.000 0.811 251 L CB 1.308 43.372 42.059 0.008 0.000 1.249 251 L HN -0.296 nan 8.230 nan 0.000 0.431 252 P HA 0.252 nan 4.420 nan 0.000 0.271 252 P C -0.808 176.539 177.300 0.078 0.000 1.218 252 P CA 0.057 63.195 63.100 0.065 0.000 0.780 252 P CB 0.708 32.462 31.700 0.090 0.000 0.901 253 I N 1.366 121.950 120.570 0.023 0.000 2.562 253 I HA 0.646 4.816 4.170 0.000 0.000 0.301 253 I C -0.027 176.022 176.117 -0.114 0.000 1.003 253 I CA -0.785 60.513 61.300 -0.003 0.000 1.127 253 I CB 1.892 39.892 38.000 0.000 0.000 1.304 253 I HN 0.292 nan 8.210 nan 0.000 0.446 254 A N 5.684 128.399 122.820 -0.176 0.000 2.393 254 A HA 0.865 5.185 4.320 0.000 0.000 0.306 254 A C -0.825 176.667 177.584 -0.154 0.000 1.050 254 A CA -0.493 51.351 52.037 -0.321 0.000 0.724 254 A CB 1.651 20.120 19.000 -0.885 0.000 1.248 254 A HN 0.612 nan 8.150 nan 0.000 0.424 255 V N -0.848 119.000 119.914 -0.111 0.000 3.182 255 V HA 1.001 5.121 4.120 0.000 0.000 0.308 255 V C 0.386 176.460 176.094 -0.033 0.000 1.240 255 V CA 0.010 62.261 62.300 -0.083 0.000 1.063 255 V CB 1.189 32.946 31.823 -0.110 0.000 1.076 255 V HN 2.423 nan 8.190 nan 0.000 0.446 256 G N -0.009 108.739 108.800 -0.087 0.000 2.813 256 G HA2 -0.176 3.784 3.960 0.000 0.000 0.194 256 G HA3 -0.176 3.784 3.960 0.000 0.000 0.194 256 G C 0.738 175.613 174.900 -0.041 0.000 1.010 256 G CA 0.572 45.678 45.100 0.010 0.000 0.771 256 G HN 1.099 nan 8.290 nan 0.000 0.485 257 E N 0.379 120.526 120.200 -0.089 0.000 2.204 257 E HA -0.020 4.331 4.350 0.000 0.000 0.195 257 E C 1.692 178.182 176.600 -0.184 0.000 0.990 257 E CA 0.710 57.030 56.400 -0.133 0.000 0.821 257 E CB -0.021 29.511 29.700 -0.280 0.000 0.750 257 E HN 0.459 nan 8.360 nan 0.000 0.477 258 R N 0.105 120.421 120.500 -0.308 0.000 2.748 258 R HA 0.260 4.600 4.340 0.000 0.000 0.395 258 R C -1.269 174.495 176.300 -0.893 0.000 1.128 258 R CA -0.267 55.571 56.100 -0.436 0.000 1.042 258 R CB 1.516 31.696 30.300 -0.200 0.000 1.392 258 R HN -0.094 nan 8.270 nan 0.000 0.582 259 V N 1.057 120.283 119.914 -1.146 0.000 2.656 259 V HA 0.443 4.563 4.120 0.000 0.000 0.307 259 V C -1.054 174.297 176.094 -1.239 0.000 1.051 259 V CA -0.935 60.622 62.300 -1.238 0.000 0.893 259 V CB 1.780 32.751 31.823 -1.419 0.000 0.999 259 V HN 0.174 nan 8.190 nan 0.000 0.426 260 Y N 1.922 122.069 120.300 -0.254 0.000 2.409 260 Y HA 0.652 5.202 4.550 0.000 0.000 0.343 260 Y C 0.657 176.434 175.900 -0.204 0.000 0.973 260 Y CA -0.238 57.784 58.100 -0.129 0.000 1.064 260 Y CB 1.969 40.368 38.460 -0.101 0.000 1.207 260 Y HN 0.971 nan 8.280 nan 0.000 0.452 261 T N -1.057 113.472 114.554 -0.043 0.000 0.541 261 T HA -0.264 4.086 4.350 0.000 0.000 0.774 261 T C 0.753 175.383 174.700 -0.116 0.000 0.992 261 T CA 0.609 62.585 62.100 -0.207 0.000 4.077 261 T CB -0.219 68.339 68.868 -0.517 0.000 2.303 261 T HN 0.917 nan 8.240 nan 0.000 0.398 262 R N 0.550 120.833 120.500 -0.361 0.000 2.117 262 R HA -0.019 4.321 4.340 0.000 0.000 0.243 262 R C 2.415 178.694 176.300 -0.036 0.000 1.143 262 R CA 2.544 58.518 56.100 -0.211 0.000 0.968 262 R CB -0.547 29.538 30.300 -0.357 0.000 0.863 262 R HN 0.731 nan 8.270 nan 0.000 0.444 263 F N -0.908 119.061 119.950 0.033 0.000 2.186 263 F HA -0.071 4.457 4.527 0.000 0.000 0.299 263 F C 2.580 178.367 175.800 -0.023 0.000 1.090 263 F CA 0.460 58.476 58.000 0.026 0.000 1.307 263 F CB -0.420 38.620 39.000 0.066 0.000 1.019 263 F HN 0.179 nan 8.300 nan 0.000 0.489 264 G N -0.204 108.633 108.800 0.062 0.000 2.396 264 G HA2 -0.183 3.777 3.960 0.000 0.000 0.214 264 G HA3 -0.183 3.777 3.960 0.000 0.000 0.214 264 G C 1.367 176.061 174.900 -0.343 0.000 1.166 264 G CA 0.259 45.281 45.100 -0.130 0.000 0.793 264 G HN 0.232 nan 8.290 nan 0.000 0.533 265 F N 0.879 120.626 119.950 -0.339 0.000 2.293 265 F HA 0.083 4.611 4.527 0.000 0.000 0.300 265 F C 2.664 177.942 175.800 -0.870 0.000 1.086 265 F CA 1.096 58.681 58.000 -0.692 0.000 1.375 265 F CB -0.005 38.519 39.000 -0.795 0.000 1.045 265 F HN 0.031 nan 8.300 nan 0.000 0.516 266 R N 1.268 121.642 120.500 -0.211 0.000 2.103 266 R HA -0.206 4.134 4.340 0.000 0.000 0.242 266 R C 1.961 178.179 176.300 -0.137 0.000 1.142 266 R CA 1.749 57.826 56.100 -0.040 0.000 0.960 266 R CB -0.251 30.121 30.300 0.121 0.000 0.858 266 R HN 0.210 nan 8.270 nan 0.000 0.439 267 K N -0.008 120.294 120.400 -0.163 0.000 2.147 267 K HA -0.109 4.211 4.320 0.000 0.000 0.205 267 K C 2.025 178.507 176.600 -0.196 0.000 1.049 267 K CA 1.049 57.253 56.287 -0.139 0.000 0.936 267 K CB -0.014 32.413 32.500 -0.122 0.000 0.722 267 K HN 0.246 nan 8.250 nan 0.000 0.446 268 I N 0.407 120.767 120.570 -0.351 0.000 2.277 268 I HA -0.163 4.007 4.170 0.000 0.000 0.243 268 I C 2.161 178.155 176.117 -0.205 0.000 1.094 268 I CA 1.321 62.431 61.300 -0.317 0.000 1.393 268 I CB -1.197 36.540 38.000 -0.439 0.000 1.078 268 I HN 0.072 nan 8.210 nan 0.000 0.417 269 F N 1.653 121.446 119.950 -0.263 0.000 2.091 269 F HA -0.232 4.295 4.527 0.000 0.000 0.299 269 F C 2.502 177.984 175.800 -0.530 0.000 1.103 269 F CA 0.966 58.589 58.000 -0.629 0.000 1.228 269 F CB -0.433 37.894 39.000 -1.121 0.000 0.984 269 F HN 0.186 nan 8.300 nan 0.000 0.477 270 E N 0.482 120.622 120.200 -0.100 0.000 2.338 270 E HA -0.157 4.194 4.350 0.000 0.000 0.197 270 E C 2.114 178.746 176.600 0.054 0.000 1.007 270 E CA 0.652 57.075 56.400 0.039 0.000 0.849 270 E CB -0.182 29.551 29.700 0.055 0.000 0.774 270 E HN 0.532 nan 8.360 nan 0.000 0.506 271 L N 0.083 121.315 121.223 0.014 0.000 2.179 271 L HA -0.084 4.256 4.340 0.000 0.000 0.208 271 L C 0.881 177.783 176.870 0.053 0.000 1.096 271 L CA 0.458 55.312 54.840 0.024 0.000 0.779 271 L CB -0.218 41.837 42.059 -0.006 0.000 0.922 271 L HN 0.093 nan 8.230 nan 0.000 0.443 272 Q N -0.934 118.911 119.800 0.075 0.000 2.451 272 Q HA -0.268 4.072 4.340 0.000 0.000 0.305 272 Q C 0.688 176.728 176.000 0.067 0.000 1.345 272 Q CA 0.275 56.142 55.803 0.107 0.000 0.854 272 Q CB -0.925 27.895 28.738 0.136 0.000 1.162 272 Q HN 0.615 nan 8.270 nan 0.000 0.440 273 A N -1.534 121.313 122.820 0.045 0.000 2.324 273 A HA 0.253 4.574 4.320 0.000 0.000 0.220 273 A C 0.359 177.956 177.584 0.021 0.000 1.209 273 A CA 0.365 52.418 52.037 0.028 0.000 0.918 273 A CB 0.765 19.773 19.000 0.014 0.000 0.959 273 A HN 0.476 nan 8.150 nan 0.000 0.507 274 C N -1.743 117.573 119.300 0.027 0.000 2.529 274 C HA 0.699 5.159 4.460 0.000 0.000 0.329 274 C C 1.678 176.683 174.990 0.025 0.000 1.194 274 C CA 0.005 59.030 59.018 0.011 0.000 1.779 274 C CB 1.355 29.094 27.740 -0.002 0.000 2.322 274 C HN 0.483 nan 8.230 nan 0.000 0.500 275 G N 0.282 109.078 108.800 -0.007 0.000 2.939 275 G HA2 0.399 4.360 3.960 0.000 0.000 0.216 275 G HA3 0.399 4.360 3.960 0.000 0.000 0.216 275 G C 0.070 174.950 174.900 -0.033 0.000 1.125 275 G CA 0.258 45.356 45.100 -0.003 0.000 0.766 275 G HN 0.675 nan 8.290 nan 0.000 0.541 276 I N 1.331 121.848 120.570 -0.088 0.000 2.619 276 I HA 0.444 4.614 4.170 0.000 0.000 0.292 276 I C -0.745 175.315 176.117 -0.095 0.000 1.100 276 I CA -1.252 59.964 61.300 -0.140 0.000 1.043 276 I CB 2.490 40.276 38.000 -0.357 0.000 1.239 276 I HN 0.037 nan 8.210 nan 0.000 0.420 277 I N 1.847 122.404 120.570 -0.022 0.000 2.693 277 I HA 0.578 4.748 4.170 0.000 0.000 0.303 277 I C -0.758 175.374 176.117 0.025 0.000 1.025 277 I CA -0.558 60.777 61.300 0.059 0.000 1.086 277 I CB 1.851 39.947 38.000 0.161 0.000 1.268 277 I HN 0.597 nan 8.210 nan 0.000 0.440 278 Q N 3.764 123.620 119.800 0.093 0.000 2.719 278 Q HA 0.361 4.701 4.340 0.000 0.000 0.376 278 Q C -2.541 173.569 176.000 0.183 0.000 0.856 278 Q CA -1.732 54.141 55.803 0.116 0.000 1.038 278 Q CB 0.856 29.662 28.738 0.113 0.000 1.418 278 Q HN 0.510 nan 8.270 nan 0.000 0.395 279 P HA -0.026 nan 4.420 nan 0.000 0.272 279 P C -0.640 176.769 177.300 0.182 0.000 1.230 279 P CA 0.100 63.296 63.100 0.161 0.000 0.788 279 P CB 1.100 32.715 31.700 -0.142 0.000 0.949 280 D N 1.622 122.157 120.400 0.226 0.000 2.344 280 D HA 0.138 4.779 4.640 0.000 0.000 0.239 280 D C 1.369 177.792 176.300 0.206 0.000 1.064 280 D CA -0.746 53.404 54.000 0.250 0.000 0.829 280 D CB 0.902 41.916 40.800 0.357 0.000 1.129 280 D HN 0.321 nan 8.370 nan 0.000 0.506 281 I N 1.049 121.719 120.570 0.166 0.000 2.700 281 I HA 0.077 4.247 4.170 0.000 0.000 0.261 281 I C 1.424 177.658 176.117 0.195 0.000 1.219 281 I CA 0.866 62.262 61.300 0.161 0.000 1.463 281 I CB -0.016 38.066 38.000 0.136 0.000 1.092 281 I HN 0.330 nan 8.210 nan 0.000 0.452 282 G N 0.756 109.675 108.800 0.199 0.000 2.880 282 G HA2 0.022 3.982 3.960 0.000 0.000 0.209 282 G HA3 0.022 3.982 3.960 0.000 0.000 0.209 282 G C 1.338 176.371 174.900 0.221 0.000 1.157 282 G CA 0.881 46.099 45.100 0.196 0.000 0.779 282 G HN 0.560 nan 8.290 nan 0.000 0.539 283 T N -4.252 110.467 114.554 0.275 0.000 3.048 283 T HA 0.392 4.742 4.350 0.000 0.000 0.254 283 T C 2.317 177.294 174.700 0.461 0.000 0.942 283 T CA 1.123 63.434 62.100 0.351 0.000 0.931 283 T CB -0.014 69.110 68.868 0.427 0.000 1.220 283 T HN 0.152 nan 8.240 nan 0.000 0.503 284 A N 1.385 124.422 122.820 0.362 0.000 2.125 284 A HA 0.533 4.853 4.320 0.000 0.000 0.219 284 A C 2.069 179.789 177.584 0.226 0.000 1.156 284 A CA 1.453 53.667 52.037 0.295 0.000 0.671 284 A CB -1.066 18.056 19.000 0.202 0.000 0.794 284 A HN 1.542 nan 8.150 nan 0.000 0.459 285 G N -3.964 105.033 108.800 0.329 0.000 2.425 285 G HA2 0.452 4.412 3.960 0.000 0.000 0.177 285 G HA3 0.452 4.412 3.960 0.000 0.000 0.177 285 G C 0.956 176.179 174.900 0.537 0.000 0.999 285 G CA 0.392 45.794 45.100 0.503 0.000 0.723 285 G HN 2.252 nan 8.290 nan 0.000 0.491 286 G N -0.928 108.072 108.800 0.334 0.000 2.371 286 G HA2 0.327 4.287 3.960 0.000 0.000 0.663 286 G HA3 0.327 4.287 3.960 0.000 0.000 0.663 286 G C -0.113 174.897 174.900 0.184 0.000 1.311 286 G CA -0.370 44.915 45.100 0.307 0.000 0.985 286 G HN 0.932 nan 8.290 nan 0.000 0.566 290 T N 1.186 115.652 114.554 -0.147 0.000 2.821 290 T HA -0.068 4.283 4.350 0.000 0.000 0.267 290 T C 1.644 176.236 174.700 -0.180 0.000 1.046 290 T CA 1.528 63.543 62.100 -0.141 0.000 1.139 290 T CB -0.149 68.689 68.868 -0.049 0.000 0.871 290 T HN 0.133 nan 8.240 nan 0.000 0.454 291 K N 1.282 121.546 120.400 -0.226 0.000 2.057 291 K HA -0.128 4.192 4.320 0.000 0.000 0.207 291 K C 2.160 178.609 176.600 -0.252 0.000 1.049 291 K CA 1.299 57.424 56.287 -0.271 0.000 0.931 291 K CB -0.018 32.168 32.500 -0.523 0.000 0.714 291 K HN 0.214 nan 8.250 nan 0.000 0.440 292 K N 0.495 120.730 120.400 -0.275 0.000 2.026 292 K HA -0.117 4.203 4.320 0.000 0.000 0.208 292 K C 2.139 178.638 176.600 -0.168 0.000 1.048 292 K CA 1.745 57.896 56.287 -0.226 0.000 0.929 292 K CB -0.192 32.152 32.500 -0.260 0.000 0.713 292 K HN 0.172 nan 8.250 nan 0.000 0.439 293 I N 0.871 121.328 120.570 -0.188 0.000 2.163 293 I HA -0.387 3.783 4.170 0.000 0.000 0.243 293 I C 2.392 178.440 176.117 -0.114 0.000 1.085 293 I CA 1.106 62.310 61.300 -0.160 0.000 1.347 293 I CB -0.374 37.391 38.000 -0.392 0.000 1.044 293 I HN 0.280 nan 8.210 nan 0.000 0.408 294 C N 0.744 119.953 119.300 -0.153 0.000 2.425 294 C HA 0.052 4.512 4.460 0.000 0.000 0.277 294 C C 1.961 176.883 174.990 -0.113 0.000 1.280 294 C CA 0.016 58.966 59.018 -0.113 0.000 1.744 294 C CB -1.451 26.239 27.740 -0.083 0.000 1.989 294 C HN 0.501 nan 8.230 nan 0.000 0.491 298 E N 0.732 120.831 120.200 -0.169 0.000 2.153 298 E HA -0.081 4.269 4.350 0.000 0.000 0.194 298 E C 1.969 178.490 176.600 -0.133 0.000 0.988 298 E CA 1.080 57.413 56.400 -0.112 0.000 0.811 298 E CB -0.147 29.496 29.700 -0.094 0.000 0.746 298 E HN 0.668 nan 8.360 nan 0.000 0.466 299 A N 0.111 122.824 122.820 -0.178 0.000 2.216 299 A HA -0.113 4.207 4.320 0.000 0.000 0.214 299 A C 0.828 178.118 177.584 -0.489 0.000 1.160 299 A CA 0.828 52.689 52.037 -0.294 0.000 0.725 299 A CB -0.245 18.566 19.000 -0.316 0.000 0.784 299 A HN 0.257 nan 8.150 nan 0.000 0.472 300 Y N -1.161 119.003 120.300 -0.227 0.000 2.660 300 Y HA 0.277 4.827 4.550 0.000 0.000 0.254 300 Y C 0.575 176.418 175.900 -0.095 0.000 1.176 300 Y CA -0.608 57.399 58.100 -0.155 0.000 1.195 300 Y CB -0.162 38.185 38.460 -0.188 0.000 1.190 300 Y HN 0.383 nan 8.280 nan 0.000 0.535 304 V N 0.217 120.112 119.914 -0.031 0.000 2.540 304 V HA 0.786 4.907 4.120 0.000 0.000 0.302 304 V C -0.429 175.644 176.094 -0.035 0.000 1.035 304 V CA -0.435 61.859 62.300 -0.010 0.000 0.873 304 V CB 1.579 33.430 31.823 0.047 0.000 0.992 304 V HN 0.915 nan 8.190 nan 0.000 0.428 305 A N 6.158 128.979 122.820 0.001 0.000 2.842 305 A HA 0.749 5.069 4.320 0.000 0.000 0.339 305 A C -2.733 174.944 177.584 0.154 0.000 1.177 305 A CA -1.601 50.477 52.037 0.068 0.000 0.797 305 A CB 0.363 19.428 19.000 0.108 0.000 1.094 305 A HN 0.625 nan 8.150 nan 0.000 0.474 306 P HA -0.078 nan 4.420 nan 0.000 0.261 306 P C -0.180 177.214 177.300 0.158 0.000 1.173 306 P CA 0.621 63.821 63.100 0.167 0.000 0.760 306 P CB 0.152 31.959 31.700 0.178 0.000 0.783 307 H N 3.438 122.578 119.070 0.117 0.000 2.548 307 H HA 0.390 4.946 4.556 0.000 0.000 0.331 307 H C -1.083 174.316 175.328 0.118 0.000 1.093 307 H CA -0.302 55.827 56.048 0.135 0.000 1.367 307 H CB 0.654 30.518 29.762 0.170 0.000 1.455 307 H HN 0.084 nan 8.280 nan 0.000 0.519 308 V N 4.820 124.384 119.914 -0.584 0.000 2.711 308 V HA 0.186 4.306 4.120 0.000 0.000 0.304 308 V C -0.761 175.141 176.094 -0.321 0.000 1.097 308 V CA -0.837 61.264 62.300 -0.332 0.000 0.906 308 V CB 1.362 33.083 31.823 -0.170 0.000 1.015 308 V HN 0.897 nan 8.190 nan 0.000 0.427 309 C N 4.041 123.221 119.300 -0.200 0.000 3.102 309 C HA 0.855 5.315 4.460 0.000 0.000 0.363 309 C C 0.464 175.438 174.990 -0.027 0.000 1.048 309 C CA 0.709 59.572 59.018 -0.259 0.000 1.330 309 C CB -0.202 27.227 27.740 -0.518 0.000 1.771 309 C HN 1.429 nan 8.230 nan 0.000 0.526 310 G N 2.957 111.748 108.800 -0.015 0.000 2.635 310 G HA2 0.641 4.601 3.960 0.000 0.000 0.194 310 G HA3 0.641 4.601 3.960 0.000 0.000 0.194 310 G C -0.240 174.705 174.900 0.075 0.000 1.198 310 G CA 0.438 45.569 45.100 0.051 0.000 0.972 310 G HN 1.373 nan 8.290 nan 0.000 0.520 311 S N -0.522 115.224 115.700 0.077 0.000 2.652 311 S HA 0.435 4.905 4.470 0.000 0.000 0.267 311 S C 1.455 176.130 174.600 0.125 0.000 1.201 311 S CA 0.899 59.159 58.200 0.100 0.000 0.996 311 S CB 1.218 64.441 63.200 0.037 0.000 1.054 311 S HN 0.702 nan 8.310 nan 0.000 0.561 312 S N 0.224 116.014 115.700 0.150 0.000 2.442 312 S HA -0.063 4.408 4.470 0.000 0.000 0.236 312 S C 1.595 176.259 174.600 0.107 0.000 1.007 312 S CA 0.868 59.160 58.200 0.155 0.000 0.965 312 S CB -0.791 62.512 63.200 0.172 0.000 0.773 312 S HN 0.606 nan 8.310 nan 0.000 0.504 313 L N 1.998 123.271 121.223 0.082 0.000 1.976 313 L HA 0.048 4.388 4.340 0.000 0.000 0.209 313 L C 1.979 178.897 176.870 0.079 0.000 1.071 313 L CA 1.616 56.498 54.840 0.071 0.000 0.746 313 L CB -0.691 41.403 42.059 0.058 0.000 0.890 313 L HN 0.304 nan 8.230 nan 0.000 0.432 314 I N -0.776 119.844 120.570 0.083 0.000 2.361 314 I HA -0.298 3.872 4.170 0.000 0.000 0.251 314 I C 2.452 178.621 176.117 0.087 0.000 1.133 314 I CA 1.548 62.901 61.300 0.088 0.000 1.413 314 I CB -0.046 38.008 38.000 0.090 0.000 1.073 314 I HN 0.544 nan 8.210 nan 0.000 0.424 315 E N -0.290 119.964 120.200 0.090 0.000 2.106 315 E HA -0.202 4.148 4.350 0.000 0.000 0.192 315 E C 1.933 178.583 176.600 0.084 0.000 0.984 315 E CA 1.724 58.187 56.400 0.104 0.000 0.806 315 E CB 0.045 29.820 29.700 0.126 0.000 0.750 315 E HN 0.434 nan 8.360 nan 0.000 0.458 316 T N 0.342 114.937 114.554 0.068 0.000 2.821 316 T HA -0.073 4.277 4.350 0.000 0.000 0.267 316 T C 1.826 176.554 174.700 0.047 0.000 1.046 316 T CA 1.071 63.199 62.100 0.048 0.000 1.139 316 T CB -0.224 68.677 68.868 0.055 0.000 0.871 316 T HN 0.310 nan 8.240 nan 0.000 0.454 317 A N 1.291 124.147 122.820 0.060 0.000 1.933 317 A HA -0.115 4.206 4.320 0.000 0.000 0.218 317 A C 2.524 180.143 177.584 0.058 0.000 1.175 317 A CA 1.931 54.002 52.037 0.058 0.000 0.628 317 A CB -1.182 17.866 19.000 0.080 0.000 0.814 317 A HN 0.453 nan 8.150 nan 0.000 0.444 318 T N 0.558 115.158 114.554 0.077 0.000 2.788 318 T HA -0.071 4.279 4.350 0.000 0.000 0.268 318 T C 1.732 176.468 174.700 0.060 0.000 1.044 318 T CA 1.360 63.515 62.100 0.091 0.000 1.139 318 T CB -0.378 68.566 68.868 0.128 0.000 0.867 318 T HN 0.398 nan 8.240 nan 0.000 0.454 319 L N 0.862 122.099 121.223 0.023 0.000 2.131 319 L HA -0.135 4.205 4.340 0.000 0.000 0.210 319 L C 2.980 179.833 176.870 -0.029 0.000 1.092 319 L CA 0.954 55.758 54.840 -0.059 0.000 0.759 319 L CB -0.580 41.430 42.059 -0.081 0.000 0.903 319 L HN 0.204 nan 8.230 nan 0.000 0.435 320 Q N -0.145 119.676 119.800 0.034 0.000 2.061 320 Q HA -0.242 4.098 4.340 0.000 0.000 0.204 320 Q C 2.306 178.332 176.000 0.044 0.000 0.984 320 Q CA 1.706 57.558 55.803 0.081 0.000 0.846 320 Q CB -0.531 28.185 28.738 -0.038 0.000 0.902 320 Q HN 0.421 nan 8.270 nan 0.000 0.421 321 L N 1.226 122.470 121.223 0.035 0.000 2.027 321 L HA -0.135 4.205 4.340 0.000 0.000 0.206 321 L C 1.887 178.750 176.870 -0.012 0.000 1.074 321 L CA 1.714 56.597 54.840 0.071 0.000 0.745 321 L CB -0.278 41.830 42.059 0.082 0.000 0.898 321 L HN 0.153 nan 8.230 nan 0.000 0.433 322 E N -0.380 119.755 120.200 -0.109 0.000 2.338 322 E HA -0.141 4.210 4.350 0.000 0.000 0.197 322 E C 2.025 178.363 176.600 -0.436 0.000 1.007 322 E CA 0.760 56.938 56.400 -0.371 0.000 0.849 322 E CB -0.209 29.140 29.700 -0.586 0.000 0.774 322 E HN 0.665 nan 8.360 nan 0.000 0.506 323 A N 1.366 124.010 122.820 -0.294 0.000 2.067 323 A HA -0.100 4.220 4.320 0.000 0.000 0.217 323 A C 1.941 179.377 177.584 -0.248 0.000 1.156 323 A CA 0.896 52.719 52.037 -0.356 0.000 0.683 323 A CB -0.158 18.495 19.000 -0.578 0.000 0.808 323 A HN 0.176 nan 8.150 nan 0.000 0.455 324 N N 0.186 118.820 118.700 -0.110 0.000 2.454 324 N HA 0.050 4.791 4.740 0.000 0.000 0.177 324 N C 0.799 176.312 175.510 0.005 0.000 1.049 324 N CA 0.210 53.255 53.050 -0.008 0.000 0.887 324 N CB 0.104 38.671 38.487 0.134 0.000 1.095 324 N HN 0.563 nan 8.380 nan 0.000 0.446 325 I N 0.598 121.173 120.570 0.008 0.000 2.692 325 I HA 0.092 4.262 4.170 0.000 0.000 0.284 325 I C 1.004 177.148 176.117 0.045 0.000 1.159 325 I CA -0.184 61.130 61.300 0.024 0.000 1.423 325 I CB 0.951 38.980 38.000 0.048 0.000 1.380 325 I HN -0.211 nan 8.210 nan 0.000 0.580 326 T N 2.794 117.366 114.554 0.029 0.000 2.857 326 T HA -0.089 4.262 4.350 0.000 0.000 0.266 326 T C 1.115 175.853 174.700 0.063 0.000 1.048 326 T CA 1.479 63.599 62.100 0.034 0.000 1.139 326 T CB -0.465 68.406 68.868 0.004 0.000 0.874 326 T HN 0.853 nan 8.240 nan 0.000 0.455 327 N N 1.319 120.055 118.700 0.061 0.000 2.714 327 N HA 0.133 4.874 4.740 0.000 0.000 0.298 327 N C -0.341 175.235 175.510 0.109 0.000 1.298 327 N CA -0.535 52.551 53.050 0.060 0.000 1.007 327 N CB -0.788 37.706 38.487 0.012 0.000 1.318 327 N HN 0.275 nan 8.380 nan 0.000 0.516 331 H N 4.217 123.467 119.070 0.301 0.000 2.479 331 H HA 0.515 5.071 4.556 0.000 0.000 0.335 331 H C -1.072 174.126 175.328 -0.216 0.000 1.142 331 H CA -0.150 56.010 56.048 0.187 0.000 1.234 331 H CB 1.459 31.330 29.762 0.182 0.000 1.503 331 H HN 0.551 nan 8.280 nan 0.000 0.510 332 E N 3.095 122.708 120.200 -0.978 0.000 2.166 332 E HA 0.227 4.577 4.350 0.000 0.000 0.275 332 E C -1.451 174.722 176.600 -0.712 0.000 0.941 332 E CA -0.848 54.880 56.400 -1.120 0.000 0.784 332 E CB 0.764 29.965 29.700 -0.831 0.000 1.115 332 E HN 0.695 nan 8.360 nan 0.000 0.399 333 H N 2.727 121.461 119.070 -0.561 0.000 2.851 333 H HA 0.316 4.872 4.556 0.000 0.000 0.372 333 H C -1.801 173.326 175.328 -0.334 0.000 1.158 333 H CA -0.573 55.339 56.048 -0.225 0.000 1.159 333 H CB 1.026 30.876 29.762 0.146 0.000 1.757 333 H HN 0.521 nan 8.280 nan 0.000 0.546 334 Y N 5.529 125.319 120.300 -0.851 0.000 2.915 334 Y HA 0.207 4.757 4.550 0.000 0.000 0.350 334 Y C -1.655 173.795 175.900 -0.749 0.000 1.061 334 Y CA -1.846 55.739 58.100 -0.858 0.000 1.179 334 Y CB 0.989 38.660 38.460 -1.314 0.000 1.180 334 Y HN 0.607 nan 8.280 nan 0.000 0.605 335 P HA -0.293 nan 4.420 nan 0.000 0.216 335 P C 1.476 178.780 177.300 0.007 0.000 1.153 335 P CA 2.024 65.131 63.100 0.012 0.000 0.858 335 P CB 0.371 32.211 31.700 0.234 0.000 0.789 336 A N -0.460 122.375 122.820 0.025 0.000 1.978 336 A HA -0.195 4.125 4.320 0.000 0.000 0.220 336 A C 2.066 179.783 177.584 0.221 0.000 1.170 336 A CA 1.434 53.546 52.037 0.124 0.000 0.636 336 A CB -1.682 17.419 19.000 0.167 0.000 0.810 336 A HN 0.032 nan 8.150 nan 0.000 0.448 337 F N 0.134 120.030 119.950 -0.090 0.000 2.202 337 F HA -0.103 4.424 4.527 0.000 0.000 0.301 337 F C 1.959 177.602 175.800 -0.261 0.000 1.082 337 F CA 1.488 59.410 58.000 -0.131 0.000 1.313 337 F CB -0.761 38.160 39.000 -0.132 0.000 1.024 337 F HN 0.118 nan 8.300 nan 0.000 0.495 338 K N 0.057 120.326 120.400 -0.218 0.000 2.442 338 K HA 0.012 4.332 4.320 0.000 0.000 0.198 338 K C 1.951 178.316 176.600 -0.393 0.000 1.042 338 K CA 0.801 56.637 56.287 -0.753 0.000 0.958 338 K CB -0.536 31.657 32.500 -0.513 0.000 0.766 338 K HN 0.169 nan 8.250 nan 0.000 0.474 339 A N 0.343 123.092 122.820 -0.118 0.000 2.195 339 A HA 0.036 4.356 4.320 0.000 0.000 0.210 339 A C -0.063 177.533 177.584 0.020 0.000 1.165 339 A CA -0.119 51.906 52.037 -0.021 0.000 0.806 339 A CB -0.001 19.007 19.000 0.014 0.000 0.847 339 A HN 0.108 nan 8.150 nan 0.000 0.482 340 D N 1.978 122.391 120.400 0.022 0.000 2.443 340 D HA 0.105 4.746 4.640 0.000 0.000 0.234 340 D C -0.480 175.866 176.300 0.077 0.000 1.172 340 D CA 0.467 54.486 54.000 0.033 0.000 0.878 340 D CB 0.388 41.191 40.800 0.005 0.000 1.204 340 D HN 0.215 nan 8.370 nan 0.000 0.453 341 D N 0.063 120.491 120.400 0.048 0.000 2.425 341 D HA 0.309 4.949 4.640 0.000 0.000 0.247 341 D C 1.495 177.838 176.300 0.071 0.000 1.147 341 D CA 0.580 54.614 54.000 0.057 0.000 0.879 341 D CB 0.887 41.709 40.800 0.036 0.000 1.179 341 D HN 0.576 nan 8.370 nan 0.000 0.456 342 G N 2.101 110.954 108.800 0.088 0.000 2.162 342 G HA2 -0.331 3.629 3.960 0.000 0.000 0.260 342 G HA3 -0.331 3.629 3.960 0.000 0.000 0.260 342 G C 0.274 175.218 174.900 0.074 0.000 0.976 342 G CA 0.321 45.468 45.100 0.079 0.000 0.655 342 G HN 0.587 nan 8.290 nan 0.000 0.533 343 Y N 0.849 121.157 120.300 0.014 0.000 2.717 343 Y HA 0.380 4.930 4.550 0.000 0.000 0.330 343 Y C 0.328 176.243 175.900 0.026 0.000 1.217 343 Y CA 0.167 58.273 58.100 0.010 0.000 1.506 343 Y CB 0.771 39.248 38.460 0.029 0.000 1.268 343 Y HN 0.193 nan 8.280 nan 0.000 0.561 344 V N 7.159 126.560 119.914 -0.854 0.000 2.357 344 V HA 0.175 4.295 4.120 0.000 0.000 0.284 344 V C -0.444 175.124 176.094 -0.877 0.000 1.018 344 V CA -0.917 61.012 62.300 -0.618 0.000 0.841 344 V CB 1.147 32.784 31.823 -0.310 0.000 0.991 344 V HN 0.718 nan 8.190 nan 0.000 0.437 345 E N 3.920 123.818 120.200 -0.504 0.000 2.223 345 E HA 0.202 4.552 4.350 0.000 0.000 0.282 345 E C 0.603 177.142 176.600 -0.102 0.000 1.046 345 E CA -0.139 56.148 56.400 -0.189 0.000 0.857 345 E CB 1.510 31.260 29.700 0.082 0.000 1.055 345 E HN 0.529 nan 8.360 nan 0.000 0.409 346 V N 3.035 122.910 119.914 -0.066 0.000 3.471 346 V HA 0.313 4.433 4.120 0.000 0.000 0.258 346 V C 0.584 176.674 176.094 -0.006 0.000 1.192 346 V CA 0.189 62.460 62.300 -0.048 0.000 1.116 346 V CB -0.438 31.353 31.823 -0.055 0.000 0.792 346 V HN 0.447 nan 8.190 nan 0.000 0.459 347 L N 0.203 121.446 121.223 0.033 0.000 2.334 347 L HA 0.562 4.902 4.340 0.000 0.000 0.273 347 L C 1.225 178.125 176.870 0.050 0.000 1.013 347 L CA -0.542 54.324 54.840 0.044 0.000 0.816 347 L CB 1.908 44.005 42.059 0.063 0.000 1.278 347 L HN -0.016 nan 8.230 nan 0.000 0.431 348 E N 1.346 121.570 120.200 0.039 0.000 2.150 348 E HA -0.101 4.249 4.350 0.000 0.000 0.193 348 E C -0.176 176.453 176.600 0.049 0.000 0.985 348 E CA 1.344 57.767 56.400 0.039 0.000 0.814 348 E CB 0.159 29.877 29.700 0.029 0.000 0.752 348 E HN 0.515 nan 8.360 nan 0.000 0.466 349 N N 0.669 119.401 118.700 0.054 0.000 2.727 349 N HA 0.193 4.933 4.740 0.000 0.000 0.252 349 N C -2.719 172.837 175.510 0.077 0.000 1.283 349 N CA -1.051 52.035 53.050 0.059 0.000 0.782 349 N CB 1.702 40.217 38.487 0.046 0.000 1.199 349 N HN 0.015 nan 8.380 nan 0.000 0.520 350 P HA 0.206 nan 4.420 nan 0.000 0.272 350 P C -2.605 174.779 177.300 0.140 0.000 1.223 350 P CA -0.886 62.294 63.100 0.134 0.000 0.784 350 P CB 0.249 32.054 31.700 0.175 0.000 0.923 351 P HA 0.105 nan 4.420 nan 0.000 0.276 351 P C -0.607 176.867 177.300 0.291 0.000 1.230 351 P CA 0.029 63.258 63.100 0.216 0.000 0.776 351 P CB 0.585 32.387 31.700 0.170 0.000 0.888 352 S N 2.772 118.575 115.700 0.171 0.000 2.541 352 S HA 0.477 4.947 4.470 0.000 0.000 0.280 352 S C -0.117 174.185 174.600 -0.498 0.000 1.112 352 S CA -1.036 57.145 58.200 -0.031 0.000 0.925 352 S CB 1.233 64.422 63.200 -0.018 0.000 1.067 352 S HN 0.493 nan 8.310 nan 0.000 0.479 353 I N 1.992 122.049 120.570 -0.856 0.000 2.836 353 I HA 0.397 4.567 4.170 0.000 0.000 0.285 353 I C -0.096 175.696 176.117 -0.543 0.000 1.174 353 I CA 0.540 61.169 61.300 -1.118 0.000 1.405 353 I CB 1.193 38.589 38.000 -1.007 0.000 1.385 353 I HN 0.829 nan 8.210 nan 0.000 0.594 354 S N 4.232 119.665 115.700 -0.445 0.000 2.750 354 S HA 0.300 4.770 4.470 0.000 0.000 0.276 354 S C -0.134 174.370 174.600 -0.160 0.000 1.165 354 S CA -0.134 57.922 58.200 -0.241 0.000 1.047 354 S CB 0.728 63.820 63.200 -0.181 0.000 1.056 354 S HN 0.832 nan 8.310 nan 0.000 0.481 355 S N 2.975 118.593 115.700 -0.137 0.000 3.587 355 S HA -0.173 4.298 4.470 0.000 0.000 0.337 355 S C 1.190 175.797 174.600 0.010 0.000 1.119 355 S CA 1.409 59.571 58.200 -0.063 0.000 0.976 355 S CB -1.762 61.411 63.200 -0.044 0.000 0.922 355 S HN 2.337 nan 8.310 nan 0.000 0.503 356 G N -1.649 107.052 108.800 -0.164 0.000 2.176 356 G HA2 -0.314 3.647 3.960 0.000 0.000 0.253 356 G HA3 -0.314 3.647 3.960 0.000 0.000 0.253 356 G C -0.211 174.519 174.900 -0.282 0.000 0.979 356 G CA 0.470 45.416 45.100 -0.257 0.000 0.641 356 G HN 0.701 nan 8.290 nan 0.000 0.530 357 Y N -1.204 118.920 120.300 -0.294 0.000 2.598 357 Y HA 0.782 5.332 4.550 0.000 0.000 0.340 357 Y C -0.065 175.597 175.900 -0.397 0.000 1.038 357 Y CA -1.670 56.313 58.100 -0.194 0.000 1.100 357 Y CB 1.332 39.733 38.460 -0.098 0.000 1.281 357 Y HN 0.012 nan 8.280 nan 0.000 0.488 358 F N 1.231 121.181 119.950 0.001 0.000 2.482 358 F HA 0.405 4.933 4.527 0.000 0.000 0.331 358 F C 0.279 176.032 175.800 -0.079 0.000 1.115 358 F CA -0.878 57.053 58.000 -0.116 0.000 0.955 358 F CB 1.315 40.144 39.000 -0.284 0.000 1.136 358 F HN 0.367 nan 8.300 nan 0.000 0.452 362 N N -1.126 117.622 118.700 0.081 0.000 2.181 362 N HA 0.249 4.989 4.740 0.000 0.000 0.207 362 N C 0.907 176.418 175.510 0.002 0.000 1.182 362 N CA -0.087 53.006 53.050 0.071 0.000 0.893 362 N CB 0.866 39.389 38.487 0.060 0.000 1.032 362 N HN 0.568 nan 8.380 nan 0.000 0.513 363 G N 2.099 110.893 108.800 -0.009 0.000 2.606 363 G HA2 0.210 4.170 3.960 0.000 0.000 0.252 363 G HA3 0.210 4.170 3.960 0.000 0.000 0.252 363 G C -2.320 172.537 174.900 -0.072 0.000 1.206 363 G CA -0.722 44.361 45.100 -0.028 0.000 0.861 363 G HN -0.092 nan 8.290 nan 0.000 0.561 364 P HA 0.273 nan 4.420 nan 0.000 0.272 364 P C 1.009 178.263 177.300 -0.078 0.000 1.240 364 P CA 1.012 64.062 63.100 -0.083 0.000 0.791 364 P CB 0.755 32.426 31.700 -0.048 0.000 0.978 365 G N 0.950 109.696 108.800 -0.090 0.000 2.550 365 G HA2 -0.315 3.646 3.960 0.000 0.000 0.277 365 G HA3 -0.315 3.646 3.960 0.000 0.000 0.277 365 G C 0.872 175.721 174.900 -0.085 0.000 1.190 365 G CA 0.300 45.367 45.100 -0.055 0.000 0.971 365 G HN 0.485 nan 8.290 nan 0.000 0.559 366 L N 2.205 123.411 121.223 -0.028 0.000 2.552 366 L HA 0.307 4.647 4.340 0.000 0.000 0.227 366 L C 2.394 179.252 176.870 -0.020 0.000 1.146 366 L CA 1.086 55.913 54.840 -0.022 0.000 0.858 366 L CB -0.685 41.390 42.059 0.026 0.000 0.969 366 L HN 2.034 nan 8.230 nan 0.000 0.451 367 G N 0.435 109.218 108.800 -0.028 0.000 2.160 367 G HA2 -0.229 3.732 3.960 0.000 0.000 0.251 367 G HA3 -0.229 3.732 3.960 0.000 0.000 0.251 367 G C 0.154 175.062 174.900 0.013 0.000 1.008 367 G CA 0.204 45.296 45.100 -0.012 0.000 0.724 367 G HN 0.541 nan 8.290 nan 0.000 0.514 368 A N -0.693 122.138 122.820 0.018 0.000 2.355 368 A HA 0.832 5.152 4.320 0.000 0.000 0.317 368 A C -0.298 177.301 177.584 0.025 0.000 1.094 368 A CA -0.396 51.658 52.037 0.029 0.000 0.764 368 A CB 2.241 21.264 19.000 0.038 0.000 1.230 368 A HN 1.161 nan 8.150 nan 0.000 0.448 369 V N 4.089 124.018 119.914 0.025 0.000 2.334 369 V HA 0.283 4.404 4.120 0.000 0.000 0.281 369 V C 0.011 176.115 176.094 0.015 0.000 1.016 369 V CA -0.298 62.014 62.300 0.019 0.000 0.832 369 V CB 0.933 32.767 31.823 0.019 0.000 0.999 369 V HN 0.801 nan 8.190 nan 0.000 0.439 370 L N 5.294 126.521 121.223 0.007 0.000 2.426 370 L HA 0.392 4.732 4.340 0.000 0.000 0.271 370 L C 0.031 176.891 176.870 -0.017 0.000 1.169 370 L CA -0.084 54.748 54.840 -0.013 0.000 0.836 370 L CB 0.777 42.815 42.059 -0.035 0.000 1.112 370 L HN 0.496 nan 8.230 nan 0.000 0.465 371 I N 4.024 124.579 120.570 -0.026 0.000 2.276 371 I HA 0.070 4.240 4.170 0.000 0.000 0.290 371 I C 1.060 177.153 176.117 -0.040 0.000 1.109 371 I CA -0.485 60.803 61.300 -0.019 0.000 1.229 371 I CB 0.728 38.724 38.000 -0.008 0.000 1.452 371 I HN 0.636 nan 8.210 nan 0.000 0.497 372 K N 4.121 124.500 120.400 -0.035 0.000 2.074 372 K HA -0.189 4.131 4.320 0.000 0.000 0.209 372 K C 2.023 178.607 176.600 -0.028 0.000 1.048 372 K CA 1.192 57.453 56.287 -0.043 0.000 0.926 372 K CB -0.247 32.249 32.500 -0.007 0.000 0.713 372 K HN 0.494 nan 8.250 nan 0.000 0.444 373 R N 1.444 121.938 120.500 -0.009 0.000 2.127 373 R HA -0.127 4.213 4.340 0.000 0.000 0.238 373 R C 1.196 177.495 176.300 -0.002 0.000 1.134 373 R CA 1.396 57.495 56.100 -0.002 0.000 0.975 373 R CB -0.146 30.155 30.300 0.003 0.000 0.865 373 R HN 0.167 nan 8.270 nan 0.000 0.447 374 N N 0.686 119.383 118.700 -0.004 0.000 2.300 374 N HA -0.061 4.679 4.740 0.000 0.000 0.179 374 N C 1.714 177.260 175.510 0.061 0.000 1.016 374 N CA 1.387 54.448 53.050 0.019 0.000 0.876 374 N CB -0.029 38.456 38.487 -0.003 0.000 0.979 374 N HN 0.548 nan 8.380 nan 0.000 0.432 375 I N -2.410 118.151 120.570 -0.015 0.000 3.708 375 I HA 0.248 4.418 4.170 0.000 0.000 0.302 375 I C 1.829 177.975 176.117 0.048 0.000 1.255 375 I CA 0.421 61.709 61.300 -0.020 0.000 1.362 375 I CB 0.075 37.845 38.000 -0.383 0.000 1.100 375 I HN -0.254 nan 8.210 nan 0.000 0.434 376 E N 2.723 122.941 120.200 0.030 0.000 2.130 376 E HA -0.142 4.208 4.350 0.000 0.000 0.196 376 E C -0.516 176.148 176.600 0.107 0.000 0.998 376 E CA 1.964 58.453 56.400 0.148 0.000 0.806 376 E CB -1.393 28.355 29.700 0.079 0.000 0.738 376 E HN 0.404 nan 8.360 nan 0.000 0.459 377 P HA -0.119 nan 4.420 nan 0.000 0.222 377 P C 0.137 177.231 177.300 -0.343 0.000 1.147 377 P CA 1.099 64.036 63.100 -0.272 0.000 0.790 377 P CB -0.055 31.348 31.700 -0.495 0.000 0.780 378 Y N -1.928 118.479 120.300 0.178 0.000 2.493 378 Y HA 0.234 4.784 4.550 0.000 0.000 0.275 378 Y C 0.886 176.973 175.900 0.312 0.000 1.183 378 Y CA -1.165 57.067 58.100 0.220 0.000 1.258 378 Y CB -0.755 37.817 38.460 0.187 0.000 1.108 378 Y HN -0.132 nan 8.280 nan 0.000 0.521 379 L N -0.205 121.241 121.223 0.372 0.000 2.628 379 L HA -0.159 4.181 4.340 0.000 0.000 0.274 379 L C 0.556 177.511 176.870 0.142 0.000 1.209 379 L CA 0.589 55.508 54.840 0.131 0.000 0.930 379 L CB 0.323 42.414 42.059 0.054 0.000 1.183 379 L HN 0.499 nan 8.230 nan 0.000 0.492 380 W N 5.334 126.574 121.300 -0.101 0.000 2.792 380 W HA 0.590 5.250 4.660 0.000 0.000 0.262 380 W C 0.142 176.612 176.519 -0.082 0.000 1.212 380 W CA 0.576 57.889 57.345 -0.053 0.000 1.433 380 W CB 0.370 29.815 29.460 -0.025 0.000 1.004 380 W HN 0.734 nan 8.180 nan 0.000 0.608 381 A N 0.091 122.930 122.820 0.031 0.000 2.594 381 A HA 0.622 4.942 4.320 0.000 0.000 0.296 381 A C -1.270 176.270 177.584 -0.073 0.000 1.056 381 A CA -0.508 51.476 52.037 -0.088 0.000 0.693 381 A CB 0.838 19.816 19.000 -0.038 0.000 1.278 381 A HN -0.128 nan 8.150 nan 0.000 0.408 382 S N -0.045 115.606 115.700 -0.082 0.000 2.532 382 S HA 0.636 5.106 4.470 0.000 0.000 0.299 382 S C -0.773 173.803 174.600 -0.041 0.000 1.105 382 S CA -0.426 57.736 58.200 -0.063 0.000 1.018 382 S CB 1.153 64.317 63.200 -0.061 0.000 1.021 382 S HN 0.971 nan 8.310 nan 0.000 0.483 383 C N 2.894 122.182 119.300 -0.021 0.000 2.369 383 C HA 0.915 5.376 4.460 0.000 0.000 0.322 383 C C 0.683 175.669 174.990 -0.006 0.000 1.258 383 C CA -0.776 58.234 59.018 -0.013 0.000 1.487 383 C CB 0.145 27.886 27.740 0.001 0.000 2.165 383 C HN 0.999 nan 8.230 nan 0.000 0.483 384 T N 0.000 114.548 114.554 -0.011 0.000 3.816 384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 384 T CA 0.000 62.097 62.100 -0.005 0.000 1.349 384 T CB 0.000 68.865 68.868 -0.006 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658