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 1fw6_1_A DATA FIRST_RESID 2 DATA SEQUENCE EGXLKGEGPG PLPPLLQQYV ELRDQYPDYL LLFQVGDFYE CFGEDAERLA DATA SEQUENCE RALGLVLTHK TSKDFTTPXA GIPLRAFEAY AERLLKXGFR LAVADQVEPA DATA SEQUENCE EEAEGLVRRE VTQLLTPGTL LQESLLPREA NYLAAIATGD GWGLAFLDVS DATA SEQUENCE TGEFKGTVLK SKSALYDELF RHRPAEVLLA PELLENGAFL DEFRKRFPVX DATA SEQUENCE LSEAPFEPEG EGPLALRRAR GALLAYAQRT QGGALSLQPF RFYDPGAFXR DATA SEQUENCE LPEATLRALE VFEPLRGQDT LFSVLDETRT APGRRLLQSW LRHPLLDRGP DATA SEQUENCE LEARLDRVEG FVREGALREG VRRLLYRLAD LERLATRLEL GRASPKDLGA DATA SEQUENCE LRRSLQILPE LRALLGEEVG LPDLSPLKEE LEAALVEDPP LKVSEGGLIR DATA SEQUENCE EGYDPDLDAL RAAHREGVAY FLELEERERE RTGIPTLKVG YNAVFGYYLE DATA SEQUENCE VTRPYYERVP KEYRPVQTLK DRQRYTLPEX KEKEREVYRL EALIRRREEE DATA SEQUENCE VFLEVRERAK RQAEALREAA RILAELDVYA ALAEVAVRYG YVRPRFGDRL DATA SEQUENCE QIRAGRHPVV ERRTEFVPND LEXAHELVLI TGPNXAGKST FLRQTALIAL DATA SEQUENCE LAQVGSFVPA EEAHLPLFDG IYTRIGAXXX XXXGKSTFXV EXEEVALILK DATA SEQUENCE EATENSLVLL DEVGRGTSSL DGVAIATAVA EALHERRAYT LFATHYFELT DATA SEQUENCE ALGLPRLKNL HVAAREEAGG LVFYHQVLPG PASKSYGVEV AAXAGLPKEV DATA SEQUENCE VARARALLQA XAAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.597 176.600 -0.006 0.000 1.382 2 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 2 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 6 K N 1.847 122.332 120.400 0.143 0.000 2.171 6 K HA 0.659 4.979 4.320 -0.000 0.000 0.274 6 K C -0.517 176.103 176.600 0.033 0.000 1.110 6 K CA 0.391 56.737 56.287 0.098 0.000 0.952 6 K CB -0.080 32.456 32.500 0.060 0.000 1.309 6 K HN 0.838 nan 8.250 nan 0.000 0.414 7 G N 3.137 111.972 108.800 0.059 0.000 2.731 7 G HA2 0.193 4.153 3.960 -0.000 0.000 0.298 7 G HA3 0.193 4.153 3.960 -0.000 0.000 0.298 7 G C -1.350 173.517 174.900 -0.056 0.000 1.424 7 G CA -0.656 44.254 45.100 -0.317 0.000 1.029 7 G HN 0.520 nan 8.290 nan 0.000 0.518 8 E N 0.558 120.697 120.200 -0.101 0.000 2.130 8 E HA 0.567 4.917 4.350 -0.000 0.000 0.284 8 E C 0.328 177.007 176.600 0.131 0.000 1.018 8 E CA -0.097 56.340 56.400 0.061 0.000 0.817 8 E CB 1.729 31.444 29.700 0.025 0.000 1.078 8 E HN 0.989 nan 8.360 nan 0.000 0.396 9 G N 3.737 112.686 108.800 0.248 0.000 2.345 9 G HA2 0.053 4.013 3.960 -0.000 0.000 0.310 9 G HA3 0.053 4.013 3.960 -0.000 0.000 0.310 9 G C -3.020 172.001 174.900 0.201 0.000 1.476 9 G CA -0.916 44.324 45.100 0.232 0.000 0.978 9 G HN 0.332 nan 8.290 nan 0.000 0.656 10 P HA 0.706 nan 4.420 nan 0.000 0.346 10 P C 0.918 178.169 177.300 -0.081 0.000 1.325 10 P CA 0.859 63.958 63.100 -0.001 0.000 0.803 10 P CB 0.426 32.127 31.700 0.002 0.000 1.856 11 G N -0.099 108.646 108.800 -0.091 0.000 2.888 11 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.441 11 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.441 11 G C -2.578 172.190 174.900 -0.219 0.000 1.461 11 G CA -0.325 44.703 45.100 -0.120 0.000 0.897 11 G HN 0.670 nan 8.290 nan 0.000 0.547 12 P HA 0.445 nan 4.420 nan 0.000 0.277 12 P C -0.320 176.785 177.300 -0.325 0.000 1.276 12 P CA -0.536 62.433 63.100 -0.218 0.000 0.788 12 P CB 0.742 32.366 31.700 -0.127 0.000 1.114 13 L N 1.673 122.738 121.223 -0.263 0.000 2.264 13 L HA 0.419 4.759 4.340 -0.000 0.000 0.289 13 L C -2.249 174.561 176.870 -0.100 0.000 1.044 13 L CA -2.260 52.439 54.840 -0.235 0.000 0.807 13 L CB 0.166 42.130 42.059 -0.157 0.000 1.192 13 L HN 0.217 nan 8.230 nan 0.000 0.425 14 P HA -0.025 nan 4.420 nan 0.000 0.268 14 P C -2.106 175.181 177.300 -0.022 0.000 1.189 14 P CA -0.595 62.490 63.100 -0.025 0.000 0.771 14 P CB 0.009 31.704 31.700 -0.009 0.000 0.822 15 P HA -0.193 nan 4.420 nan 0.000 0.216 15 P C 1.356 178.678 177.300 0.037 0.000 1.153 15 P CA 1.017 64.123 63.100 0.010 0.000 0.858 15 P CB -0.107 31.601 31.700 0.013 0.000 0.789 16 L N -0.969 120.275 121.223 0.035 0.000 1.993 16 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 16 L C 2.205 179.103 176.870 0.047 0.000 1.074 16 L CA 1.700 56.595 54.840 0.092 0.000 0.746 16 L CB -1.451 40.651 42.059 0.071 0.000 0.896 16 L HN -0.173 nan 8.230 nan 0.000 0.435 17 L N -0.379 120.774 121.223 -0.117 0.000 2.129 17 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 17 L C 2.697 179.561 176.870 -0.009 0.000 1.087 17 L CA 1.023 55.748 54.840 -0.193 0.000 0.757 17 L CB -0.856 41.072 42.059 -0.218 0.000 0.896 17 L HN 0.456 nan 8.230 nan 0.000 0.434 18 Q N 0.439 120.241 119.800 0.003 0.000 2.030 18 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 18 Q C 2.153 178.175 176.000 0.037 0.000 0.986 18 Q CA 1.956 57.767 55.803 0.015 0.000 0.843 18 Q CB -0.285 28.458 28.738 0.007 0.000 0.904 18 Q HN 0.580 nan 8.270 nan 0.000 0.420 19 Q N -1.116 118.737 119.800 0.089 0.000 2.170 19 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 19 Q C 1.940 178.014 176.000 0.123 0.000 0.976 19 Q CA 1.367 57.265 55.803 0.159 0.000 0.858 19 Q CB -0.240 28.666 28.738 0.281 0.000 0.907 19 Q HN 0.443 nan 8.270 nan 0.000 0.433 20 Y N 0.208 120.368 120.300 -0.233 0.000 2.114 20 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 20 Y C 1.984 177.723 175.900 -0.268 0.000 1.143 20 Y CA 1.730 59.404 58.100 -0.710 0.000 1.135 20 Y CB -0.504 37.455 38.460 -0.836 0.000 0.980 20 Y HN -0.054 nan 8.280 nan 0.000 0.499 21 V N 0.677 120.464 119.914 -0.211 0.000 2.343 21 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 21 V C 2.325 178.331 176.094 -0.147 0.000 1.051 21 V CA 2.218 64.400 62.300 -0.196 0.000 1.036 21 V CB -0.750 31.059 31.823 -0.023 0.000 0.654 21 V HN 0.429 nan 8.190 nan 0.000 0.451 22 E N 0.103 120.260 120.200 -0.072 0.000 2.130 22 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 22 E C 1.997 178.589 176.600 -0.012 0.000 0.998 22 E CA 1.663 58.049 56.400 -0.024 0.000 0.806 22 E CB -0.182 29.527 29.700 0.016 0.000 0.738 22 E HN 0.600 nan 8.360 nan 0.000 0.459 23 L N -0.511 120.702 121.223 -0.016 0.000 2.168 23 L HA 0.092 4.432 4.340 -0.000 0.000 0.203 23 L C 2.718 179.603 176.870 0.024 0.000 1.078 23 L CA 0.593 55.464 54.840 0.052 0.000 0.780 23 L CB -0.388 41.730 42.059 0.099 0.000 0.939 23 L HN 0.055 nan 8.230 nan 0.000 0.451 24 R N 0.542 120.936 120.500 -0.175 0.000 2.139 24 R HA -0.193 4.146 4.340 -0.000 0.000 0.243 24 R C 0.708 176.970 176.300 -0.063 0.000 1.145 24 R CA 1.671 57.640 56.100 -0.219 0.000 0.976 24 R CB -0.105 29.868 30.300 -0.546 0.000 0.866 24 R HN 0.379 nan 8.270 nan 0.000 0.449 25 D N -0.248 120.122 120.400 -0.050 0.000 2.340 25 D HA 0.001 4.641 4.640 -0.000 0.000 0.217 25 D C 0.952 177.234 176.300 -0.029 0.000 1.081 25 D CA 0.270 54.254 54.000 -0.025 0.000 0.842 25 D CB 0.577 41.356 40.800 -0.035 0.000 0.934 25 D HN 0.437 nan 8.370 nan 0.000 0.511 26 Q N -0.548 119.245 119.800 -0.013 0.000 2.391 26 Q HA 0.018 4.358 4.340 -0.000 0.000 0.211 26 Q C -0.167 175.552 176.000 -0.470 0.000 0.908 26 Q CA 0.516 56.200 55.803 -0.198 0.000 0.920 26 Q CB 0.670 29.309 28.738 -0.166 0.000 1.056 26 Q HN 0.262 nan 8.270 nan 0.000 0.523 27 Y N -0.539 119.713 120.300 -0.080 0.000 2.748 27 Y HA 0.292 4.842 4.550 -0.000 0.000 0.359 27 Y C -2.009 173.942 175.900 0.084 0.000 1.030 27 Y CA -2.533 55.523 58.100 -0.073 0.000 1.169 27 Y CB 0.975 39.275 38.460 -0.268 0.000 1.127 27 Y HN 0.028 nan 8.280 nan 0.000 0.644 28 P HA -0.125 nan 4.420 nan 0.000 0.218 28 P C 0.409 177.799 177.300 0.151 0.000 1.148 28 P CA 1.640 64.814 63.100 0.123 0.000 0.822 28 P CB 0.438 32.181 31.700 0.072 0.000 0.784 29 D N -2.899 117.653 120.400 0.254 0.000 2.424 29 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 29 D C -0.227 176.075 176.300 0.003 0.000 1.150 29 D CA 0.117 54.185 54.000 0.112 0.000 0.831 29 D CB 0.099 40.936 40.800 0.061 0.000 0.981 29 D HN 0.215 nan 8.370 nan 0.000 0.500 30 Y N 0.487 120.815 120.300 0.046 0.000 2.429 30 Y HA 0.341 4.891 4.550 -0.000 0.000 0.342 30 Y C -0.008 175.858 175.900 -0.057 0.000 1.004 30 Y CA -1.275 56.839 58.100 0.023 0.000 1.075 30 Y CB 1.519 40.021 38.460 0.071 0.000 1.214 30 Y HN -0.199 nan 8.280 nan 0.000 0.455 31 L N 4.781 126.010 121.223 0.011 0.000 2.283 31 L HA 0.372 4.712 4.340 -0.000 0.000 0.287 31 L C -0.903 175.979 176.870 0.021 0.000 1.073 31 L CA -0.523 54.267 54.840 -0.084 0.000 0.822 31 L CB -0.059 41.864 42.059 -0.228 0.000 1.186 31 L HN 0.605 nan 8.230 nan 0.000 0.436 32 L N 6.493 127.732 121.223 0.026 0.000 2.313 32 L HA 0.339 4.679 4.340 -0.000 0.000 0.282 32 L C -0.788 176.151 176.870 0.116 0.000 1.092 32 L CA 0.357 55.222 54.840 0.042 0.000 0.831 32 L CB 0.309 42.362 42.059 -0.009 0.000 1.159 32 L HN 0.558 nan 8.230 nan 0.000 0.442 33 L N 6.489 127.755 121.223 0.071 0.000 2.283 33 L HA 0.304 4.644 4.340 -0.000 0.000 0.281 33 L C -0.593 176.432 176.870 0.259 0.000 1.033 33 L CA -0.399 54.484 54.840 0.072 0.000 0.848 33 L CB 0.435 42.366 42.059 -0.213 0.000 1.226 33 L HN 0.476 nan 8.230 nan 0.000 0.429 34 F N 3.084 123.179 119.950 0.241 0.000 2.445 34 F HA 0.173 4.700 4.527 -0.000 0.000 0.359 34 F C 0.742 176.739 175.800 0.328 0.000 1.101 34 F CA -0.505 57.681 58.000 0.310 0.000 1.177 34 F CB 1.013 40.266 39.000 0.421 0.000 1.110 34 F HN 0.441 nan 8.300 nan 0.000 0.522 35 Q N 5.245 125.023 119.800 -0.036 0.000 2.369 35 Q HA 0.398 4.738 4.340 -0.000 0.000 0.247 35 Q C -1.817 173.988 176.000 -0.325 0.000 1.083 35 Q CA -0.094 55.575 55.803 -0.223 0.000 0.905 35 Q CB 0.447 29.046 28.738 -0.230 0.000 1.305 35 Q HN 0.421 nan 8.270 nan 0.000 0.465 36 V N 5.507 125.331 119.914 -0.149 0.000 2.304 36 V HA 0.695 4.815 4.120 -0.000 0.000 0.278 36 V C 0.910 176.986 176.094 -0.031 0.000 1.018 36 V CA 0.216 62.478 62.300 -0.064 0.000 0.814 36 V CB 0.254 32.149 31.823 0.119 0.000 1.021 36 V HN 1.060 nan 8.190 nan 0.000 0.440 37 G N 5.001 113.759 108.800 -0.070 0.000 2.574 37 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.286 37 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.286 37 G C 0.227 175.095 174.900 -0.054 0.000 1.212 37 G CA 0.376 45.453 45.100 -0.040 0.000 0.979 37 G HN 0.622 nan 8.290 nan 0.000 0.557 38 D N 0.940 121.364 120.400 0.040 0.000 2.400 38 D HA 0.401 5.041 4.640 -0.000 0.000 0.243 38 D C 0.009 176.287 176.300 -0.036 0.000 1.184 38 D CA 0.856 54.850 54.000 -0.010 0.000 0.853 38 D CB -0.190 40.629 40.800 0.031 0.000 0.944 38 D HN 0.160 nan 8.370 nan 0.000 0.501 39 F N -0.562 119.269 119.950 -0.198 0.000 2.613 39 F HA 0.318 4.845 4.527 -0.000 0.000 0.310 39 F C -0.561 175.095 175.800 -0.241 0.000 1.085 39 F CA -1.111 56.788 58.000 -0.168 0.000 0.945 39 F CB 1.454 40.408 39.000 -0.077 0.000 1.298 39 F HN -0.222 nan 8.300 nan 0.000 0.455 40 Y N 1.661 122.031 120.300 0.118 0.000 2.328 40 Y HA 0.488 5.038 4.550 -0.000 0.000 0.337 40 Y C -0.150 175.787 175.900 0.061 0.000 1.008 40 Y CA -0.408 57.724 58.100 0.055 0.000 1.129 40 Y CB 1.297 39.772 38.460 0.026 0.000 1.185 40 Y HN 0.482 nan 8.280 nan 0.000 0.476 41 E N 2.532 122.859 120.200 0.212 0.000 2.336 41 E HA 0.671 5.021 4.350 -0.000 0.000 0.267 41 E C -1.524 174.920 176.600 -0.260 0.000 0.906 41 E CA -0.986 55.349 56.400 -0.110 0.000 0.781 41 E CB 2.230 31.761 29.700 -0.283 0.000 1.261 41 E HN 0.425 nan 8.360 nan 0.000 0.436 42 C N 1.228 120.166 119.300 -0.604 0.000 2.686 42 C HA 0.623 5.083 4.460 -0.000 0.000 0.318 42 C C -1.101 173.377 174.990 -0.853 0.000 1.160 42 C CA -0.896 57.829 59.018 -0.488 0.000 1.396 42 C CB 0.006 27.676 27.740 -0.116 0.000 1.924 42 C HN 0.618 nan 8.230 nan 0.000 0.471 43 F N 1.123 120.816 119.950 -0.429 0.000 2.579 43 F HA 0.835 5.362 4.527 -0.000 0.000 0.324 43 F C 0.922 176.662 175.800 -0.100 0.000 1.058 43 F CA 0.754 58.546 58.000 -0.347 0.000 0.944 43 F CB 1.416 40.072 39.000 -0.574 0.000 1.245 43 F HN 1.070 nan 8.300 nan 0.000 0.477 44 G N 1.276 110.140 108.800 0.108 0.000 2.498 44 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.245 44 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.245 44 G C 0.717 175.645 174.900 0.047 0.000 1.204 44 G CA 0.278 45.426 45.100 0.081 0.000 0.933 44 G HN 0.658 nan 8.290 nan 0.000 0.574 45 E N 0.420 120.654 120.200 0.058 0.000 2.106 45 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 45 E C 1.867 178.483 176.600 0.027 0.000 0.984 45 E CA 1.001 57.421 56.400 0.033 0.000 0.806 45 E CB -0.132 29.589 29.700 0.034 0.000 0.750 45 E HN 0.501 nan 8.360 nan 0.000 0.458 46 D N 0.802 121.234 120.400 0.054 0.000 2.182 46 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 46 D C 1.853 178.156 176.300 0.005 0.000 0.986 46 D CA 1.126 55.150 54.000 0.040 0.000 0.847 46 D CB -0.001 40.877 40.800 0.130 0.000 0.942 46 D HN 0.161 nan 8.370 nan 0.000 0.467 47 A N 0.955 123.766 122.820 -0.015 0.000 1.929 47 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 47 A C 2.071 179.625 177.584 -0.051 0.000 1.176 47 A CA 0.980 52.970 52.037 -0.079 0.000 0.628 47 A CB -0.245 18.686 19.000 -0.114 0.000 0.816 47 A HN 0.161 nan 8.150 nan 0.000 0.444 48 E N -0.260 119.924 120.200 -0.027 0.000 2.047 48 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 48 E C 2.278 178.884 176.600 0.011 0.000 0.987 48 E CA 0.832 57.222 56.400 -0.016 0.000 0.799 48 E CB -0.197 29.497 29.700 -0.010 0.000 0.752 48 E HN 0.483 nan 8.360 nan 0.000 0.449 49 R N 0.480 120.993 120.500 0.022 0.000 2.113 49 R HA -0.211 4.128 4.340 -0.000 0.000 0.244 49 R C 2.390 178.750 176.300 0.099 0.000 1.142 49 R CA 1.179 57.316 56.100 0.063 0.000 0.953 49 R CB -0.530 29.776 30.300 0.010 0.000 0.860 49 R HN 0.109 nan 8.270 nan 0.000 0.438 50 L N 0.388 121.644 121.223 0.054 0.000 1.932 50 L HA -0.190 4.150 4.340 -0.000 0.000 0.217 50 L C 2.430 179.323 176.870 0.038 0.000 1.077 50 L CA 2.153 57.026 54.840 0.056 0.000 0.765 50 L CB -0.977 41.080 42.059 -0.004 0.000 0.888 50 L HN 0.230 nan 8.230 nan 0.000 0.433 51 A N 0.099 122.919 122.820 -0.001 0.000 1.916 51 A HA -0.410 3.910 4.320 -0.000 0.000 0.224 51 A C 2.320 179.915 177.584 0.019 0.000 1.366 51 A CA 3.436 55.470 52.037 -0.005 0.000 0.692 51 A CB -1.092 17.892 19.000 -0.025 0.000 0.841 51 A HN 0.662 nan 8.150 nan 0.000 0.480 52 R N -0.801 119.716 120.500 0.029 0.000 2.061 52 R HA 0.143 4.483 4.340 -0.000 0.000 0.230 52 R C 2.349 178.678 176.300 0.048 0.000 1.140 52 R CA 1.666 57.787 56.100 0.035 0.000 0.940 52 R CB -0.998 29.323 30.300 0.036 0.000 0.839 52 R HN 0.408 nan 8.270 nan 0.000 0.429 53 A N 1.678 124.543 122.820 0.075 0.000 1.927 53 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 53 A C 2.109 179.730 177.584 0.060 0.000 1.185 53 A CA 1.699 53.780 52.037 0.074 0.000 0.639 53 A CB -0.500 18.596 19.000 0.159 0.000 0.820 53 A HN 0.413 nan 8.150 nan 0.000 0.451 54 L N -1.702 119.567 121.223 0.076 0.000 2.857 54 L HA 0.290 4.630 4.340 -0.000 0.000 0.249 54 L C 1.501 178.425 176.870 0.090 0.000 1.172 54 L CA 0.281 55.181 54.840 0.099 0.000 0.980 54 L CB -0.210 41.922 42.059 0.121 0.000 1.299 54 L HN 0.565 nan 8.230 nan 0.000 0.535 55 G N 1.040 109.874 108.800 0.057 0.000 2.200 55 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.267 55 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.267 55 G C 0.544 175.471 174.900 0.046 0.000 0.993 55 G CA 0.428 45.557 45.100 0.047 0.000 0.701 55 G HN 0.307 nan 8.290 nan 0.000 0.524 56 L N -1.013 120.232 121.223 0.037 0.000 2.444 56 L HA 0.320 4.660 4.340 -0.000 0.000 0.251 56 L C 1.331 178.205 176.870 0.006 0.000 1.247 56 L CA -0.369 54.483 54.840 0.019 0.000 0.825 56 L CB 0.121 42.166 42.059 -0.024 0.000 1.129 56 L HN -0.022 nan 8.230 nan 0.000 0.527 57 V N 1.513 121.426 119.914 -0.002 0.000 2.539 57 V HA 0.254 4.374 4.120 -0.000 0.000 0.292 57 V C 0.150 176.217 176.094 -0.045 0.000 1.045 57 V CA -0.504 61.787 62.300 -0.015 0.000 0.945 57 V CB 1.657 33.478 31.823 -0.004 0.000 0.993 57 V HN 0.376 nan 8.190 nan 0.000 0.464 58 L N 4.334 125.518 121.223 -0.064 0.000 2.275 58 L HA 0.529 4.869 4.340 -0.000 0.000 0.288 58 L C 0.199 176.970 176.870 -0.165 0.000 1.046 58 L CA 0.305 55.076 54.840 -0.115 0.000 0.805 58 L CB 1.561 43.545 42.059 -0.125 0.000 1.193 58 L HN 0.857 nan 8.230 nan 0.000 0.426 59 T N 2.215 116.660 114.554 -0.182 0.000 2.598 59 T HA 0.611 4.961 4.350 -0.000 0.000 0.254 59 T C -1.062 173.490 174.700 -0.247 0.000 0.889 59 T CA -0.582 61.433 62.100 -0.142 0.000 1.091 59 T CB 1.607 70.489 68.868 0.024 0.000 1.437 59 T HN 0.612 nan 8.240 nan 0.000 0.542 60 H N -0.442 118.608 119.070 -0.033 0.000 3.016 60 H HA 0.693 5.249 4.556 -0.000 0.000 0.362 60 H C -1.359 173.959 175.328 -0.017 0.000 1.233 60 H CA -1.103 54.926 56.048 -0.032 0.000 1.124 60 H CB 2.008 31.732 29.762 -0.062 0.000 1.850 60 H HN 0.238 nan 8.280 nan 0.000 0.549 61 K N 1.857 122.327 120.400 0.117 0.000 2.530 61 K HA 0.241 4.561 4.320 -0.000 0.000 0.230 61 K C -1.118 175.459 176.600 -0.037 0.000 1.002 61 K CA -0.253 56.055 56.287 0.036 0.000 1.014 61 K CB 0.786 33.304 32.500 0.031 0.000 1.286 61 K HN 0.620 nan 8.250 nan 0.000 0.480 62 T N 1.589 116.120 114.554 -0.039 0.000 2.909 62 T HA 0.530 4.880 4.350 -0.000 0.000 0.289 62 T C -0.229 174.464 174.700 -0.012 0.000 1.005 62 T CA -0.473 61.599 62.100 -0.046 0.000 1.084 62 T CB 1.049 69.875 68.868 -0.070 0.000 0.975 62 T HN 0.682 nan 8.240 nan 0.000 0.509 63 S N 0.892 116.611 115.700 0.032 0.000 2.671 63 S HA 0.559 5.029 4.470 -0.000 0.000 0.277 63 S C 0.749 175.384 174.600 0.059 0.000 1.165 63 S CA -1.011 57.217 58.200 0.047 0.000 0.822 63 S CB 1.805 65.049 63.200 0.073 0.000 1.150 63 S HN 0.432 nan 8.310 nan 0.000 0.479 64 K N 1.090 121.512 120.400 0.037 0.000 1.987 64 K HA -0.150 4.170 4.320 -0.000 0.000 0.216 64 K C 1.312 177.938 176.600 0.044 0.000 1.051 64 K CA 2.665 58.968 56.287 0.027 0.000 0.942 64 K CB -0.871 31.634 32.500 0.008 0.000 0.722 64 K HN 0.660 nan 8.250 nan 0.000 0.444 65 D N -0.153 120.271 120.400 0.039 0.000 2.106 65 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 65 D C 1.297 177.687 176.300 0.149 0.000 0.988 65 D CA 1.910 55.923 54.000 0.020 0.000 0.845 65 D CB -0.212 40.527 40.800 -0.102 0.000 0.990 65 D HN 0.442 nan 8.370 nan 0.000 0.448 66 F N -1.598 118.337 119.950 -0.026 0.000 2.824 66 F HA 0.551 5.078 4.527 -0.000 0.000 0.330 66 F C -0.776 175.011 175.800 -0.022 0.000 1.175 66 F CA -1.082 56.906 58.000 -0.020 0.000 0.974 66 F CB 2.231 41.223 39.000 -0.013 0.000 1.430 66 F HN -0.218 nan 8.300 nan 0.000 0.507 67 T N 0.721 115.144 114.554 -0.219 0.000 2.841 67 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 67 T C -1.088 173.239 174.700 -0.620 0.000 0.991 67 T CA -0.187 61.715 62.100 -0.330 0.000 0.966 67 T CB 1.532 70.325 68.868 -0.125 0.000 0.962 67 T HN 0.961 nan 8.240 nan 0.000 0.438 68 T N 4.839 119.068 114.554 -0.541 0.000 2.942 68 T HA 0.766 5.116 4.350 -0.000 0.000 0.289 68 T C -2.594 172.034 174.700 -0.120 0.000 1.044 68 T CA -1.951 59.892 62.100 -0.428 0.000 1.023 68 T CB 1.429 70.028 68.868 -0.450 0.000 1.123 68 T HN 0.432 nan 8.240 nan 0.000 0.512 72 G N 0.296 109.048 108.800 -0.080 0.000 2.690 72 G HA2 0.853 4.813 3.960 -0.000 0.000 0.291 72 G HA3 0.853 4.813 3.960 -0.000 0.000 0.291 72 G C -0.841 174.140 174.900 0.134 0.000 1.403 72 G CA -0.093 45.031 45.100 0.040 0.000 0.864 72 G HN 1.797 nan 8.290 nan 0.000 0.480 73 I N -1.602 119.062 120.570 0.156 0.000 2.647 73 I HA 0.648 4.818 4.170 -0.000 0.000 0.295 73 I C -2.742 173.265 176.117 -0.184 0.000 1.078 73 I CA -3.096 58.153 61.300 -0.085 0.000 1.048 73 I CB 2.985 40.659 38.000 -0.543 0.000 1.239 73 I HN 0.209 nan 8.210 nan 0.000 0.421 74 P HA 0.146 nan 4.420 nan 0.000 0.271 74 P C 0.840 177.964 177.300 -0.294 0.000 1.220 74 P CA -0.207 62.326 63.100 -0.944 0.000 0.768 74 P CB 1.403 32.700 31.700 -0.672 0.000 0.848 75 L N 3.142 124.171 121.223 -0.324 0.000 2.129 75 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 75 L C 2.863 179.763 176.870 0.051 0.000 1.087 75 L CA 1.831 56.614 54.840 -0.095 0.000 0.757 75 L CB -0.943 40.960 42.059 -0.259 0.000 0.896 75 L HN 0.492 nan 8.230 nan 0.000 0.434 76 R N 1.425 121.899 120.500 -0.043 0.000 2.140 76 R HA -0.201 4.139 4.340 -0.000 0.000 0.250 76 R C 1.751 178.085 176.300 0.056 0.000 1.150 76 R CA 1.850 57.947 56.100 -0.005 0.000 0.966 76 R CB -0.702 29.571 30.300 -0.045 0.000 0.869 76 R HN 0.292 nan 8.270 nan 0.000 0.445 77 A N 0.163 123.048 122.820 0.108 0.000 2.460 77 A HA 0.169 4.489 4.320 -0.000 0.000 0.258 77 A C 1.218 178.948 177.584 0.243 0.000 1.300 77 A CA -0.563 51.529 52.037 0.092 0.000 0.913 77 A CB -0.480 18.504 19.000 -0.026 0.000 1.031 77 A HN 0.446 nan 8.150 nan 0.000 0.512 78 F N 1.826 121.891 119.950 0.191 0.000 2.024 78 F HA -0.308 4.219 4.527 -0.000 0.000 0.296 78 F C 1.954 177.840 175.800 0.144 0.000 1.137 78 F CA 2.632 60.771 58.000 0.233 0.000 1.200 78 F CB -0.605 38.547 39.000 0.254 0.000 0.954 78 F HN 0.450 nan 8.300 nan 0.000 0.497 79 E N 0.372 120.339 120.200 -0.390 0.000 2.070 79 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 79 E C 2.373 178.793 176.600 -0.300 0.000 1.004 79 E CA 1.272 57.372 56.400 -0.499 0.000 0.805 79 E CB -0.642 28.934 29.700 -0.206 0.000 0.744 79 E HN 0.555 nan 8.360 nan 0.000 0.451 80 A N 0.839 123.542 122.820 -0.196 0.000 1.873 80 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 80 A C 1.957 179.395 177.584 -0.243 0.000 1.193 80 A CA 1.760 53.656 52.037 -0.234 0.000 0.629 80 A CB -0.963 17.854 19.000 -0.305 0.000 0.826 80 A HN 0.292 nan 8.150 nan 0.000 0.447 81 Y N -0.305 119.929 120.300 -0.110 0.000 2.263 81 Y HA 0.040 4.590 4.550 -0.000 0.000 0.292 81 Y C 2.886 178.705 175.900 -0.134 0.000 1.130 81 Y CA 0.474 58.529 58.100 -0.075 0.000 1.179 81 Y CB -0.696 37.767 38.460 0.004 0.000 0.998 81 Y HN 0.346 nan 8.280 nan 0.000 0.532 82 A N 0.338 123.065 122.820 -0.156 0.000 1.849 82 A HA -0.319 4.001 4.320 -0.000 0.000 0.217 82 A C 2.212 179.712 177.584 -0.141 0.000 1.202 82 A CA 2.069 53.946 52.037 -0.267 0.000 0.629 82 A CB -1.066 17.529 19.000 -0.676 0.000 0.834 82 A HN 0.522 nan 8.150 nan 0.000 0.447 83 E N -0.298 119.805 120.200 -0.162 0.000 2.055 83 E HA -0.319 4.031 4.350 -0.000 0.000 0.209 83 E C 2.255 178.809 176.600 -0.077 0.000 1.036 83 E CA 1.862 58.195 56.400 -0.111 0.000 0.849 83 E CB -0.275 29.355 29.700 -0.117 0.000 0.767 83 E HN 0.581 nan 8.360 nan 0.000 0.461 84 R N -0.016 120.445 120.500 -0.064 0.000 2.096 84 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 84 R C 2.730 179.001 176.300 -0.048 0.000 1.139 84 R CA 1.802 57.875 56.100 -0.045 0.000 0.952 84 R CB -0.626 29.668 30.300 -0.009 0.000 0.854 84 R HN 0.334 nan 8.270 nan 0.000 0.436 85 L N 0.636 121.855 121.223 -0.007 0.000 1.989 85 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 85 L C 2.570 179.410 176.870 -0.049 0.000 1.071 85 L CA 1.351 56.197 54.840 0.009 0.000 0.749 85 L CB -0.547 41.593 42.059 0.135 0.000 0.890 85 L HN 0.177 nan 8.230 nan 0.000 0.431 86 L N -0.538 120.675 121.223 -0.017 0.000 1.990 86 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 86 L C 1.650 178.483 176.870 -0.061 0.000 1.072 86 L CA 1.216 56.047 54.840 -0.015 0.000 0.755 86 L CB -0.481 41.568 42.059 -0.017 0.000 0.889 86 L HN 0.207 nan 8.230 nan 0.000 0.432 90 F N 1.460 121.401 119.950 -0.016 0.000 2.379 90 F HA 0.566 5.093 4.527 -0.000 0.000 0.332 90 F C 0.902 176.675 175.800 -0.044 0.000 1.096 90 F CA -1.029 56.955 58.000 -0.026 0.000 1.105 90 F CB 1.271 40.269 39.000 -0.003 0.000 1.189 90 F HN -0.314 nan 8.300 nan 0.000 0.515 91 R N 3.353 123.900 120.500 0.079 0.000 2.346 91 R HA 0.508 4.848 4.340 -0.000 0.000 0.311 91 R C -1.006 175.348 176.300 0.089 0.000 0.983 91 R CA -0.735 55.331 56.100 -0.057 0.000 0.880 91 R CB 1.468 31.404 30.300 -0.606 0.000 1.100 91 R HN 0.545 nan 8.270 nan 0.000 0.453 92 L N 1.925 123.257 121.223 0.182 0.000 2.325 92 L HA 0.549 4.889 4.340 -0.000 0.000 0.279 92 L C 0.148 177.142 176.870 0.207 0.000 1.054 92 L CA -0.782 54.168 54.840 0.183 0.000 0.804 92 L CB 1.710 43.861 42.059 0.153 0.000 1.200 92 L HN 0.652 nan 8.230 nan 0.000 0.436 93 A N 3.419 126.292 122.820 0.087 0.000 2.328 93 A HA 0.580 4.900 4.320 -0.000 0.000 0.318 93 A C -0.559 176.937 177.584 -0.147 0.000 1.347 93 A CA -0.444 51.524 52.037 -0.115 0.000 0.842 93 A CB 0.852 19.708 19.000 -0.239 0.000 1.148 93 A HN 0.406 nan 8.150 nan 0.000 0.499 94 V N 2.760 122.573 119.914 -0.168 0.000 2.372 94 V HA 0.445 4.565 4.120 -0.000 0.000 0.261 94 V C 0.754 176.757 176.094 -0.152 0.000 1.055 94 V CA 0.107 62.272 62.300 -0.226 0.000 0.930 94 V CB 0.714 32.371 31.823 -0.277 0.000 1.031 94 V HN 0.955 nan 8.190 nan 0.000 0.479 95 A N 4.841 127.627 122.820 -0.055 0.000 2.280 95 A HA 0.580 4.900 4.320 -0.000 0.000 0.320 95 A C -0.120 177.470 177.584 0.010 0.000 1.366 95 A CA -0.598 51.439 52.037 0.000 0.000 0.938 95 A CB 0.070 19.155 19.000 0.141 0.000 1.157 95 A HN 0.732 nan 8.150 nan 0.000 0.536 96 D N 1.143 121.524 120.400 -0.032 0.000 2.440 96 D HA 0.256 4.896 4.640 -0.000 0.000 0.258 96 D C -0.186 176.047 176.300 -0.112 0.000 1.092 96 D CA -0.233 53.731 54.000 -0.060 0.000 1.016 96 D CB 0.878 41.650 40.800 -0.048 0.000 1.141 96 D HN 0.566 nan 8.370 nan 0.000 0.552 97 Q N 0.977 120.699 119.800 -0.129 0.000 2.490 97 Q HA 0.182 4.522 4.340 -0.000 0.000 0.226 97 Q C 1.089 177.044 176.000 -0.075 0.000 1.132 97 Q CA -0.392 55.342 55.803 -0.115 0.000 0.928 97 Q CB 1.153 29.817 28.738 -0.125 0.000 1.299 97 Q HN 0.220 nan 8.270 nan 0.000 0.528 98 V N 1.674 121.554 119.914 -0.056 0.000 2.221 98 V HA -0.256 3.864 4.120 -0.000 0.000 0.244 98 V C 1.175 177.250 176.094 -0.031 0.000 1.043 98 V CA 1.764 64.042 62.300 -0.037 0.000 0.996 98 V CB -0.534 31.274 31.823 -0.025 0.000 0.636 98 V HN 0.784 nan 8.190 nan 0.000 0.454 99 E N 3.487 123.672 120.200 -0.026 0.000 2.383 99 E HA 0.098 4.447 4.350 -0.000 0.000 0.264 99 E C -2.316 174.268 176.600 -0.027 0.000 1.050 99 E CA -1.534 54.853 56.400 -0.021 0.000 0.896 99 E CB 0.772 30.463 29.700 -0.015 0.000 0.982 99 E HN 0.325 nan 8.360 nan 0.000 0.424 100 P HA -0.060 nan 4.420 nan 0.000 0.271 100 P C -0.060 177.223 177.300 -0.028 0.000 1.238 100 P CA 0.187 63.271 63.100 -0.027 0.000 0.794 100 P CB 0.679 32.367 31.700 -0.020 0.000 0.959 101 A N 1.165 123.966 122.820 -0.031 0.000 1.855 101 A HA -0.131 4.189 4.320 -0.000 0.000 0.213 101 A C 2.054 179.624 177.584 -0.023 0.000 1.195 101 A CA 1.262 53.281 52.037 -0.029 0.000 0.610 101 A CB -1.324 17.655 19.000 -0.034 0.000 0.837 101 A HN 0.624 nan 8.150 nan 0.000 0.444 102 E N 0.472 120.658 120.200 -0.022 0.000 2.233 102 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 102 E C 0.419 177.012 176.600 -0.012 0.000 1.004 102 E CA 1.370 57.760 56.400 -0.017 0.000 0.819 102 E CB -0.177 29.513 29.700 -0.016 0.000 0.738 102 E HN 0.921 nan 8.360 nan 0.000 0.478 103 E N 0.045 120.238 120.200 -0.012 0.000 3.659 103 E HA 0.560 4.910 4.350 -0.000 0.000 0.217 103 E C -0.826 175.769 176.600 -0.009 0.000 1.141 103 E CA -0.531 55.864 56.400 -0.008 0.000 1.340 103 E CB 1.205 30.901 29.700 -0.006 0.000 1.295 103 E HN 0.059 nan 8.360 nan 0.000 0.434 104 A N 1.323 124.138 122.820 -0.009 0.000 2.380 104 A HA 0.397 4.717 4.320 -0.000 0.000 0.315 104 A C -0.215 177.366 177.584 -0.005 0.000 1.101 104 A CA -0.873 51.159 52.037 -0.008 0.000 0.771 104 A CB 0.965 19.958 19.000 -0.011 0.000 1.287 104 A HN 0.377 nan 8.150 nan 0.000 0.436 105 E N 1.388 121.587 120.200 -0.002 0.000 2.110 105 E HA 0.364 4.714 4.350 -0.000 0.000 0.300 105 E C 1.154 177.755 176.600 0.002 0.000 1.278 105 E CA 0.521 56.921 56.400 0.000 0.000 1.365 105 E CB -0.108 29.593 29.700 0.002 0.000 1.283 105 E HN 1.187 nan 8.360 nan 0.000 0.490 106 G N 2.001 110.801 108.800 -0.000 0.000 3.879 106 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.318 106 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.318 106 G C 0.085 174.988 174.900 0.004 0.000 1.344 106 G CA -0.059 45.042 45.100 0.001 0.000 1.024 106 G HN 0.416 nan 8.290 nan 0.000 0.681 107 L N 2.313 123.542 121.223 0.011 0.000 2.369 107 L HA 0.550 4.890 4.340 -0.000 0.000 0.279 107 L C 0.907 177.785 176.870 0.013 0.000 1.108 107 L CA -0.032 54.820 54.840 0.020 0.000 0.852 107 L CB 1.034 43.114 42.059 0.034 0.000 1.169 107 L HN 0.465 nan 8.230 nan 0.000 0.452 108 V N 6.442 126.358 119.914 0.002 0.000 2.585 108 V HA 0.084 4.204 4.120 -0.000 0.000 0.296 108 V C 1.025 177.112 176.094 -0.011 0.000 1.035 108 V CA -0.376 61.915 62.300 -0.014 0.000 1.084 108 V CB 0.115 31.917 31.823 -0.035 0.000 0.953 108 V HN 0.648 nan 8.190 nan 0.000 0.483 109 R N 4.484 124.978 120.500 -0.009 0.000 2.502 109 R HA 0.213 4.553 4.340 -0.000 0.000 0.292 109 R C -0.084 176.204 176.300 -0.020 0.000 0.998 109 R CA 0.415 56.513 56.100 -0.002 0.000 1.056 109 R CB 0.237 30.535 30.300 -0.003 0.000 0.939 109 R HN 0.621 nan 8.270 nan 0.000 0.411 110 R N 2.451 122.951 120.500 -0.001 0.000 2.532 110 R HA 0.285 4.625 4.340 -0.000 0.000 0.297 110 R C -0.870 175.446 176.300 0.027 0.000 0.984 110 R CA -0.606 55.477 56.100 -0.028 0.000 0.884 110 R CB 2.272 32.506 30.300 -0.110 0.000 1.182 110 R HN 0.609 nan 8.270 nan 0.000 0.442 111 E N 1.415 121.617 120.200 0.002 0.000 2.408 111 E HA 0.237 4.587 4.350 -0.000 0.000 0.275 111 E C -0.873 175.713 176.600 -0.024 0.000 0.935 111 E CA -1.079 55.330 56.400 0.015 0.000 0.775 111 E CB 2.733 32.440 29.700 0.012 0.000 1.277 111 E HN 0.152 nan 8.360 nan 0.000 0.455 112 V N 2.208 122.088 119.914 -0.058 0.000 2.409 112 V HA -0.040 4.080 4.120 -0.000 0.000 0.270 112 V C 0.981 177.002 176.094 -0.122 0.000 1.019 112 V CA 0.454 62.653 62.300 -0.167 0.000 1.066 112 V CB 0.153 31.712 31.823 -0.439 0.000 1.021 112 V HN 0.813 nan 8.190 nan 0.000 0.476 113 T N 4.140 118.634 114.554 -0.100 0.000 2.668 113 T HA -0.071 4.279 4.350 -0.000 0.000 0.262 113 T C 0.683 175.342 174.700 -0.068 0.000 1.045 113 T CA 1.595 63.654 62.100 -0.069 0.000 1.152 113 T CB -0.057 68.777 68.868 -0.057 0.000 0.864 113 T HN 0.922 nan 8.240 nan 0.000 0.419 114 Q N -0.581 119.169 119.800 -0.084 0.000 2.553 114 Q HA 0.698 5.038 4.340 -0.000 0.000 0.293 114 Q C -1.776 174.176 176.000 -0.081 0.000 1.038 114 Q CA -0.991 54.777 55.803 -0.059 0.000 0.777 114 Q CB 1.636 30.370 28.738 -0.007 0.000 1.487 114 Q HN 0.188 nan 8.270 nan 0.000 0.426 115 L N 1.427 122.626 121.223 -0.040 0.000 2.362 115 L HA 0.512 4.852 4.340 -0.000 0.000 0.275 115 L C -0.963 175.965 176.870 0.097 0.000 0.998 115 L CA -0.911 53.935 54.840 0.010 0.000 0.820 115 L CB 1.821 43.868 42.059 -0.020 0.000 1.270 115 L HN 0.524 nan 8.230 nan 0.000 0.415 116 L N 3.479 124.793 121.223 0.152 0.000 2.283 116 L HA 0.381 4.721 4.340 -0.000 0.000 0.281 116 L C 0.177 177.134 176.870 0.146 0.000 1.033 116 L CA -0.288 54.632 54.840 0.133 0.000 0.848 116 L CB 1.294 43.424 42.059 0.119 0.000 1.226 116 L HN 0.645 nan 8.230 nan 0.000 0.429 117 T N -0.850 113.793 114.554 0.148 0.000 2.888 117 T HA 0.409 4.759 4.350 -0.000 0.000 0.284 117 T C -1.649 173.127 174.700 0.126 0.000 1.017 117 T CA -2.045 60.154 62.100 0.163 0.000 1.022 117 T CB 2.067 71.102 68.868 0.278 0.000 1.013 117 T HN 0.247 nan 8.240 nan 0.000 0.465 118 P HA -0.032 nan 4.420 nan 0.000 0.218 118 P C 1.198 178.543 177.300 0.076 0.000 1.146 118 P CA 1.303 64.444 63.100 0.069 0.000 0.813 118 P CB -0.283 31.450 31.700 0.055 0.000 0.778 119 G N -1.157 107.715 108.800 0.120 0.000 3.434 119 G HA2 0.131 4.091 3.960 -0.000 0.000 0.258 119 G HA3 0.131 4.091 3.960 -0.000 0.000 0.258 119 G C 0.713 175.697 174.900 0.141 0.000 1.128 119 G CA 0.474 45.649 45.100 0.124 0.000 0.792 119 G HN 0.417 nan 8.290 nan 0.000 0.539 120 T N -1.893 112.741 114.554 0.133 0.000 3.332 120 T HA 0.382 4.732 4.350 -0.000 0.000 0.304 120 T C 0.472 175.216 174.700 0.073 0.000 0.971 120 T CA -0.470 61.701 62.100 0.119 0.000 0.954 120 T CB -0.348 68.614 68.868 0.156 0.000 1.175 120 T HN 0.001 nan 8.240 nan 0.000 0.519 121 L N 1.427 122.682 121.223 0.053 0.000 2.456 121 L HA 0.389 4.729 4.340 -0.000 0.000 0.272 121 L C 1.094 177.975 176.870 0.017 0.000 1.189 121 L CA -0.228 54.631 54.840 0.031 0.000 0.846 121 L CB 0.786 42.851 42.059 0.010 0.000 1.111 121 L HN 0.244 nan 8.230 nan 0.000 0.475 122 L N 0.822 122.057 121.223 0.020 0.000 2.766 122 L HA 0.117 4.457 4.340 -0.000 0.000 0.241 122 L C 0.370 177.246 176.870 0.010 0.000 1.080 122 L CA -0.100 54.748 54.840 0.013 0.000 0.909 122 L CB 0.427 42.500 42.059 0.023 0.000 1.277 122 L HN 0.595 nan 8.230 nan 0.000 0.510 123 Q N 1.395 121.205 119.800 0.016 0.000 2.242 123 Q HA -0.121 4.219 4.340 -0.000 0.000 0.284 123 Q C 1.067 177.057 176.000 -0.015 0.000 1.130 123 Q CA 0.448 56.257 55.803 0.010 0.000 0.940 123 Q CB 0.494 29.233 28.738 0.003 0.000 1.146 123 Q HN 0.140 nan 8.270 nan 0.000 0.388 124 E N 1.756 121.946 120.200 -0.016 0.000 2.097 124 E HA -0.289 4.061 4.350 -0.000 0.000 0.196 124 E C 1.164 177.739 176.600 -0.043 0.000 1.000 124 E CA 1.561 57.943 56.400 -0.031 0.000 0.804 124 E CB 0.150 29.834 29.700 -0.027 0.000 0.740 124 E HN 0.703 nan 8.360 nan 0.000 0.454 125 S N -0.260 115.414 115.700 -0.044 0.000 2.547 125 S HA -0.033 4.436 4.470 -0.000 0.000 0.235 125 S C 1.735 176.295 174.600 -0.067 0.000 0.980 125 S CA 0.459 58.625 58.200 -0.057 0.000 0.941 125 S CB -0.126 63.037 63.200 -0.061 0.000 0.763 125 S HN 0.336 nan 8.310 nan 0.000 0.532 126 L N 0.039 121.224 121.223 -0.063 0.000 2.616 126 L HA 0.461 4.801 4.340 -0.000 0.000 0.229 126 L C 0.136 176.972 176.870 -0.057 0.000 1.110 126 L CA -0.029 54.771 54.840 -0.066 0.000 0.884 126 L CB 0.030 42.048 42.059 -0.068 0.000 1.115 126 L HN 0.242 nan 8.230 nan 0.000 0.481 127 L N 0.983 122.172 121.223 -0.056 0.000 2.331 127 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 127 L C -2.022 174.806 176.870 -0.069 0.000 1.022 127 L CA -1.754 53.049 54.840 -0.062 0.000 0.812 127 L CB 1.381 43.403 42.059 -0.062 0.000 1.257 127 L HN -0.154 nan 8.230 nan 0.000 0.435 128 P HA 0.314 nan 4.420 nan 0.000 0.278 128 P C -0.256 176.991 177.300 -0.088 0.000 1.266 128 P CA -0.680 62.371 63.100 -0.081 0.000 0.807 128 P CB 1.134 32.778 31.700 -0.093 0.000 1.094 129 R N -0.496 119.957 120.500 -0.078 0.000 2.148 129 R HA -0.033 4.307 4.340 -0.000 0.000 0.227 129 R C 0.528 176.766 176.300 -0.102 0.000 1.103 129 R CA 0.852 56.905 56.100 -0.079 0.000 0.983 129 R CB -0.240 30.025 30.300 -0.058 0.000 0.874 129 R HN 0.572 nan 8.270 nan 0.000 0.451 130 E N 0.716 120.843 120.200 -0.120 0.000 2.409 130 E HA 0.190 4.540 4.350 -0.000 0.000 0.257 130 E C -0.356 176.104 176.600 -0.234 0.000 1.150 130 E CA -0.004 56.289 56.400 -0.179 0.000 0.942 130 E CB 0.400 29.973 29.700 -0.211 0.000 0.979 130 E HN 0.223 nan 8.360 nan 0.000 0.447 131 A N 2.070 124.699 122.820 -0.318 0.000 2.462 131 A HA 0.082 4.402 4.320 -0.000 0.000 0.243 131 A C -0.050 177.218 177.584 -0.526 0.000 1.076 131 A CA 0.039 51.786 52.037 -0.483 0.000 0.773 131 A CB 0.017 18.603 19.000 -0.690 0.000 1.010 131 A HN 0.626 nan 8.150 nan 0.000 0.493 132 N N 1.699 120.097 118.700 -0.504 0.000 2.524 132 N HA 0.440 5.180 4.740 -0.000 0.000 0.261 132 N C -1.740 173.594 175.510 -0.293 0.000 0.998 132 N CA -0.158 52.706 53.050 -0.310 0.000 0.915 132 N CB 0.646 39.040 38.487 -0.156 0.000 1.187 132 N HN 0.635 nan 8.380 nan 0.000 0.507 133 Y N 1.746 122.054 120.300 0.013 0.000 2.457 133 Y HA 0.439 4.989 4.550 -0.000 0.000 0.333 133 Y C -0.003 175.979 175.900 0.137 0.000 1.119 133 Y CA -1.037 57.117 58.100 0.090 0.000 1.143 133 Y CB 1.608 40.130 38.460 0.103 0.000 1.230 133 Y HN 0.351 nan 8.280 nan 0.000 0.469 134 L N 2.378 123.830 121.223 0.382 0.000 2.329 134 L HA 0.868 5.208 4.340 -0.000 0.000 0.279 134 L C -0.838 176.197 176.870 0.276 0.000 1.014 134 L CA -0.520 54.472 54.840 0.254 0.000 0.814 134 L CB 1.142 43.325 42.059 0.206 0.000 1.257 134 L HN 0.686 nan 8.230 nan 0.000 0.424 135 A N 4.064 126.987 122.820 0.172 0.000 2.386 135 A HA 0.962 5.282 4.320 -0.000 0.000 0.311 135 A C -1.131 176.435 177.584 -0.031 0.000 1.068 135 A CA -0.133 51.921 52.037 0.027 0.000 0.743 135 A CB 1.505 20.553 19.000 0.079 0.000 1.258 135 A HN 1.090 nan 8.150 nan 0.000 0.429 136 A N 1.982 124.742 122.820 -0.101 0.000 2.343 136 A HA 0.786 5.106 4.320 -0.000 0.000 0.316 136 A C -0.833 176.781 177.584 0.050 0.000 1.104 136 A CA -0.365 51.685 52.037 0.022 0.000 0.768 136 A CB 0.633 19.604 19.000 -0.047 0.000 1.213 136 A HN 0.746 nan 8.150 nan 0.000 0.456 137 I N 1.560 122.227 120.570 0.161 0.000 2.465 137 I HA 0.698 4.868 4.170 -0.000 0.000 0.291 137 I C 0.285 176.451 176.117 0.080 0.000 1.014 137 I CA -0.344 61.019 61.300 0.105 0.000 1.093 137 I CB 2.076 40.112 38.000 0.059 0.000 1.267 137 I HN 0.807 nan 8.210 nan 0.000 0.431 138 A N 3.646 126.509 122.820 0.073 0.000 2.593 138 A HA 0.913 5.233 4.320 -0.000 0.000 0.290 138 A C -0.474 177.036 177.584 -0.123 0.000 1.126 138 A CA -0.529 51.461 52.037 -0.079 0.000 0.695 138 A CB 1.917 20.945 19.000 0.046 0.000 1.290 138 A HN 0.667 nan 8.150 nan 0.000 0.414 139 T N -2.460 111.935 114.554 -0.266 0.000 2.905 139 T HA 0.811 5.161 4.350 -0.000 0.000 0.283 139 T C 0.345 174.891 174.700 -0.256 0.000 1.031 139 T CA -0.353 61.518 62.100 -0.381 0.000 1.002 139 T CB 1.541 70.071 68.868 -0.563 0.000 1.200 139 T HN 2.550 nan 8.240 nan 0.000 0.560 140 G N 1.022 109.665 108.800 -0.262 0.000 2.602 140 G HA2 0.279 4.239 3.960 -0.000 0.000 0.291 140 G HA3 0.279 4.239 3.960 -0.000 0.000 0.291 140 G C -0.428 174.388 174.900 -0.139 0.000 0.988 140 G CA -0.249 44.745 45.100 -0.175 0.000 1.295 140 G HN 1.039 nan 8.290 nan 0.000 0.630 141 D N -1.355 118.959 120.400 -0.144 0.000 2.838 141 D HA 0.209 4.849 4.640 -0.000 0.000 0.237 141 D C 1.232 177.475 176.300 -0.095 0.000 1.059 141 D CA 2.513 56.454 54.000 -0.098 0.000 0.763 141 D CB -1.145 39.618 40.800 -0.062 0.000 1.070 141 D HN 2.312 nan 8.370 nan 0.000 0.437 142 G N -0.878 107.826 108.800 -0.160 0.000 2.631 142 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.504 142 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.504 142 G C -0.715 174.065 174.900 -0.200 0.000 1.306 142 G CA -0.370 44.646 45.100 -0.139 0.000 0.897 142 G HN 0.113 nan 8.290 nan 0.000 0.520 143 W N 0.387 121.660 121.300 -0.045 0.000 2.316 143 W HA 0.547 5.207 4.660 -0.000 0.000 0.311 143 W C 0.839 177.321 176.519 -0.061 0.000 1.217 143 W CA 0.634 57.947 57.345 -0.054 0.000 1.199 143 W CB 1.748 31.194 29.460 -0.024 0.000 1.202 143 W HN 0.948 nan 8.180 nan 0.000 0.528 144 G N 4.492 113.391 108.800 0.165 0.000 2.417 144 G HA2 0.630 4.590 3.960 -0.000 0.000 0.320 144 G HA3 0.630 4.590 3.960 -0.000 0.000 0.320 144 G C -1.819 173.103 174.900 0.037 0.000 1.204 144 G CA -0.710 44.416 45.100 0.042 0.000 0.923 144 G HN 0.483 nan 8.290 nan 0.000 0.466 145 L N 2.154 123.344 121.223 -0.054 0.000 2.409 145 L HA 0.824 5.164 4.340 -0.000 0.000 0.272 145 L C -0.654 176.027 176.870 -0.315 0.000 0.980 145 L CA -0.755 53.980 54.840 -0.175 0.000 0.826 145 L CB 1.895 43.864 42.059 -0.150 0.000 1.268 145 L HN 0.664 nan 8.230 nan 0.000 0.407 146 A N 4.220 126.783 122.820 -0.429 0.000 2.475 146 A HA 0.859 5.179 4.320 -0.000 0.000 0.301 146 A C -1.823 175.435 177.584 -0.543 0.000 1.059 146 A CA -0.400 51.428 52.037 -0.349 0.000 0.710 146 A CB 1.538 20.505 19.000 -0.056 0.000 1.288 146 A HN 0.566 nan 8.150 nan 0.000 0.408 147 F N 0.430 120.390 119.950 0.018 0.000 2.563 147 F HA 0.754 5.281 4.527 -0.000 0.000 0.316 147 F C -0.406 175.543 175.800 0.249 0.000 1.076 147 F CA -0.879 57.120 58.000 -0.001 0.000 0.921 147 F CB 2.365 41.111 39.000 -0.423 0.000 1.209 147 F HN 0.487 nan 8.300 nan 0.000 0.462 148 L N 2.480 124.022 121.223 0.533 0.000 2.464 148 L HA 0.492 4.832 4.340 -0.000 0.000 0.266 148 L C -1.591 175.524 176.870 0.408 0.000 0.965 148 L CA -0.301 54.831 54.840 0.487 0.000 0.833 148 L CB 1.867 44.137 42.059 0.351 0.000 1.296 148 L HN 0.572 nan 8.230 nan 0.000 0.405 149 D N 4.041 124.632 120.400 0.318 0.000 2.473 149 D HA 0.189 4.829 4.640 -0.000 0.000 0.226 149 D C 0.958 177.303 176.300 0.074 0.000 1.089 149 D CA -0.176 53.898 54.000 0.124 0.000 0.883 149 D CB 1.556 42.341 40.800 -0.025 0.000 1.029 149 D HN 0.455 nan 8.370 nan 0.000 0.517 150 V N 3.168 123.122 119.914 0.066 0.000 2.546 150 V HA -0.255 3.865 4.120 -0.000 0.000 0.254 150 V C 2.415 178.517 176.094 0.013 0.000 1.076 150 V CA 2.227 64.549 62.300 0.037 0.000 1.087 150 V CB -0.629 31.221 31.823 0.046 0.000 0.674 150 V HN 0.629 nan 8.190 nan 0.000 0.470 151 S N 0.091 115.790 115.700 -0.003 0.000 2.470 151 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 151 S C 1.791 176.382 174.600 -0.016 0.000 1.006 151 S CA 1.102 59.292 58.200 -0.016 0.000 0.934 151 S CB -0.147 63.032 63.200 -0.036 0.000 0.778 151 S HN 0.728 nan 8.310 nan 0.000 0.517 152 T N -3.970 110.577 114.554 -0.012 0.000 2.971 152 T HA 0.525 4.875 4.350 -0.000 0.000 0.252 152 T C 1.567 176.284 174.700 0.028 0.000 1.022 152 T CA 0.680 62.779 62.100 -0.002 0.000 0.980 152 T CB 0.052 68.910 68.868 -0.017 0.000 1.044 152 T HN 1.202 nan 8.240 nan 0.000 0.501 153 G N 1.679 110.505 108.800 0.042 0.000 2.143 153 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.249 153 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.249 153 G C -0.193 174.787 174.900 0.133 0.000 0.981 153 G CA 0.221 45.358 45.100 0.061 0.000 0.665 153 G HN 0.877 nan 8.290 nan 0.000 0.528 154 E N -0.286 120.008 120.200 0.156 0.000 2.376 154 E HA 0.449 4.799 4.350 -0.000 0.000 0.266 154 E C -0.941 175.881 176.600 0.370 0.000 1.009 154 E CA -0.565 55.971 56.400 0.227 0.000 0.902 154 E CB 0.129 29.963 29.700 0.225 0.000 0.972 154 E HN 0.253 nan 8.360 nan 0.000 0.439 155 F N 5.902 125.934 119.950 0.136 0.000 2.828 155 F HA 0.332 4.859 4.527 -0.000 0.000 0.355 155 F C -1.247 174.533 175.800 -0.034 0.000 1.200 155 F CA -0.768 57.338 58.000 0.177 0.000 1.062 155 F CB 0.637 39.792 39.000 0.258 0.000 1.351 155 F HN 0.439 nan 8.300 nan 0.000 0.504 156 K N 3.732 124.035 120.400 -0.162 0.000 2.495 156 K HA 1.030 5.350 4.320 -0.000 0.000 0.268 156 K C -0.998 175.427 176.600 -0.292 0.000 1.008 156 K CA -1.270 54.683 56.287 -0.556 0.000 0.882 156 K CB 2.454 34.864 32.500 -0.149 0.000 1.443 156 K HN 0.749 nan 8.250 nan 0.000 0.447 157 G N -0.471 108.202 108.800 -0.211 0.000 2.466 157 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 157 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 157 G C -1.647 173.116 174.900 -0.228 0.000 1.460 157 G CA -0.132 44.973 45.100 0.009 0.000 0.791 157 G HN 0.699 nan 8.290 nan 0.000 0.505 158 T N -2.092 112.285 114.554 -0.295 0.000 2.665 158 T HA 0.655 5.005 4.350 -0.000 0.000 0.303 158 T C -1.768 172.836 174.700 -0.161 0.000 1.334 158 T CA -0.218 61.715 62.100 -0.278 0.000 1.011 158 T CB 1.706 70.305 68.868 -0.450 0.000 1.573 158 T HN 1.069 nan 8.240 nan 0.000 0.492 159 V N 2.462 122.372 119.914 -0.007 0.000 2.577 159 V HA 0.662 4.782 4.120 -0.000 0.000 0.303 159 V C -1.086 175.073 176.094 0.109 0.000 1.042 159 V CA -0.680 61.646 62.300 0.043 0.000 0.872 159 V CB 1.361 33.219 31.823 0.059 0.000 0.998 159 V HN 0.710 nan 8.190 nan 0.000 0.423 160 L N 4.572 125.886 121.223 0.152 0.000 2.342 160 L HA 0.598 4.938 4.340 -0.000 0.000 0.271 160 L C 0.968 177.975 176.870 0.229 0.000 1.008 160 L CA -0.631 54.309 54.840 0.167 0.000 0.818 160 L CB 1.697 43.843 42.059 0.145 0.000 1.296 160 L HN 0.661 nan 8.230 nan 0.000 0.427 161 K N -0.507 120.002 120.400 0.182 0.000 2.167 161 K HA 0.087 4.406 4.320 -0.000 0.000 0.203 161 K C 0.617 177.374 176.600 0.262 0.000 1.052 161 K CA 0.779 57.177 56.287 0.186 0.000 0.956 161 K CB -0.403 32.167 32.500 0.117 0.000 0.735 161 K HN 0.542 nan 8.250 nan 0.000 0.451 162 S N -0.624 115.199 115.700 0.205 0.000 2.648 162 S HA 0.383 4.853 4.470 -0.000 0.000 0.305 162 S C 0.649 175.192 174.600 -0.094 0.000 1.094 162 S CA -0.972 57.320 58.200 0.153 0.000 0.983 162 S CB 2.067 65.306 63.200 0.065 0.000 1.101 162 S HN 0.147 nan 8.310 nan 0.000 0.514 163 K N 0.603 120.893 120.400 -0.184 0.000 2.288 163 K HA 0.003 4.322 4.320 -0.000 0.000 0.201 163 K C 1.675 177.851 176.600 -0.708 0.000 1.048 163 K CA 1.110 56.948 56.287 -0.748 0.000 0.956 163 K CB -0.357 31.896 32.500 -0.411 0.000 0.746 163 K HN 0.592 nan 8.250 nan 0.000 0.461 164 S N 0.734 116.248 115.700 -0.310 0.000 2.345 164 S HA -0.094 4.376 4.470 -0.000 0.000 0.219 164 S C 2.080 176.652 174.600 -0.047 0.000 1.031 164 S CA 1.057 59.166 58.200 -0.151 0.000 0.984 164 S CB -0.295 62.885 63.200 -0.034 0.000 0.874 164 S HN 0.502 nan 8.310 nan 0.000 0.451 165 A N 1.755 124.564 122.820 -0.020 0.000 1.883 165 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 165 A C 2.164 179.795 177.584 0.079 0.000 1.186 165 A CA 1.663 53.741 52.037 0.069 0.000 0.624 165 A CB -0.929 18.124 19.000 0.088 0.000 0.822 165 A HN 0.399 nan 8.150 nan 0.000 0.444 166 L N -1.327 119.856 121.223 -0.067 0.000 1.990 166 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 166 L C 2.384 179.379 176.870 0.209 0.000 1.072 166 L CA 2.182 57.004 54.840 -0.029 0.000 0.755 166 L CB -0.809 41.020 42.059 -0.383 0.000 0.889 166 L HN 0.475 nan 8.230 nan 0.000 0.432 167 Y N 0.194 120.512 120.300 0.030 0.000 2.207 167 Y HA -0.236 4.314 4.550 -0.000 0.000 0.287 167 Y C 2.598 178.696 175.900 0.330 0.000 1.156 167 Y CA 1.082 59.320 58.100 0.230 0.000 1.182 167 Y CB -1.182 37.448 38.460 0.282 0.000 0.979 167 Y HN 0.369 nan 8.280 nan 0.000 0.521 168 D N -0.104 120.532 120.400 0.394 0.000 2.077 168 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 168 D C 2.113 178.640 176.300 0.378 0.000 0.986 168 D CA 1.118 55.327 54.000 0.349 0.000 0.829 168 D CB -0.110 40.839 40.800 0.248 0.000 0.983 168 D HN 0.232 nan 8.370 nan 0.000 0.453 169 E N 0.764 121.180 120.200 0.360 0.000 2.097 169 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 169 E C 2.115 179.032 176.600 0.529 0.000 1.000 169 E CA 0.225 56.896 56.400 0.450 0.000 0.804 169 E CB -0.393 29.588 29.700 0.469 0.000 0.740 169 E HN 0.222 nan 8.360 nan 0.000 0.454 170 L N -0.030 121.458 121.223 0.441 0.000 2.093 170 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 170 L C 2.160 179.222 176.870 0.321 0.000 1.085 170 L CA 1.394 56.457 54.840 0.372 0.000 0.755 170 L CB -0.753 41.321 42.059 0.025 0.000 0.904 170 L HN 0.082 nan 8.230 nan 0.000 0.435 171 F N 1.464 121.595 119.950 0.301 0.000 2.502 171 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 171 F C 2.546 178.410 175.800 0.107 0.000 1.111 171 F CA 0.930 59.109 58.000 0.299 0.000 1.445 171 F CB -0.106 39.080 39.000 0.311 0.000 1.081 171 F HN 0.177 nan 8.300 nan 0.000 0.558 172 R N -1.523 118.985 120.500 0.014 0.000 2.276 172 R HA 0.014 4.354 4.340 -0.000 0.000 0.196 172 R C 1.174 177.143 176.300 -0.552 0.000 0.961 172 R CA 0.987 56.943 56.100 -0.241 0.000 1.024 172 R CB -0.855 29.327 30.300 -0.197 0.000 0.940 172 R HN 0.326 nan 8.270 nan 0.000 0.480 173 H N 1.000 119.863 119.070 -0.344 0.000 2.563 173 H HA 0.253 4.809 4.556 -0.000 0.000 0.264 173 H C 0.000 175.143 175.328 -0.309 0.000 0.957 173 H CA -0.044 55.706 56.048 -0.496 0.000 1.173 173 H CB 0.424 29.553 29.762 -1.054 0.000 1.420 173 H HN 0.014 nan 8.280 nan 0.000 0.551 174 R N 0.869 121.230 120.500 -0.233 0.000 3.158 174 R HA -0.110 4.230 4.340 -0.000 0.000 0.244 174 R C -2.533 173.758 176.300 -0.015 0.000 0.900 174 R CA 0.051 56.026 56.100 -0.208 0.000 0.618 174 R CB -2.073 28.017 30.300 -0.350 0.000 1.061 174 R HN 0.456 nan 8.270 nan 0.000 0.471 175 P HA 0.045 nan 4.420 nan 0.000 0.268 175 P C 0.337 177.713 177.300 0.128 0.000 1.205 175 P CA 0.289 63.510 63.100 0.202 0.000 0.771 175 P CB 0.940 32.804 31.700 0.273 0.000 0.858 176 A N 2.368 125.262 122.820 0.124 0.000 2.238 176 A HA 0.100 4.420 4.320 -0.000 0.000 0.210 176 A C 0.769 178.408 177.584 0.092 0.000 1.179 176 A CA 0.547 52.629 52.037 0.075 0.000 0.827 176 A CB -0.223 18.801 19.000 0.041 0.000 0.856 176 A HN 0.693 nan 8.150 nan 0.000 0.488 177 E N -0.783 119.490 120.200 0.121 0.000 2.381 177 E HA 0.486 4.836 4.350 -0.000 0.000 0.286 177 E C -2.148 174.514 176.600 0.105 0.000 0.960 177 E CA -0.377 56.087 56.400 0.105 0.000 0.793 177 E CB 2.127 31.886 29.700 0.099 0.000 1.225 177 E HN -0.040 nan 8.360 nan 0.000 0.420 178 V N 4.743 124.718 119.914 0.101 0.000 2.656 178 V HA 0.450 4.570 4.120 -0.000 0.000 0.307 178 V C -0.336 175.771 176.094 0.021 0.000 1.051 178 V CA -0.728 61.632 62.300 0.100 0.000 0.893 178 V CB 1.722 33.692 31.823 0.245 0.000 0.999 178 V HN 0.610 nan 8.190 nan 0.000 0.426 179 L N 5.630 126.853 121.223 0.001 0.000 2.282 179 L HA 0.578 4.918 4.340 -0.000 0.000 0.288 179 L C -0.765 176.228 176.870 0.204 0.000 1.033 179 L CA -0.346 54.523 54.840 0.049 0.000 0.807 179 L CB 1.321 43.359 42.059 -0.036 0.000 1.209 179 L HN 0.399 nan 8.230 nan 0.000 0.423 180 L N 3.283 124.566 121.223 0.099 0.000 2.313 180 L HA 0.593 4.933 4.340 -0.000 0.000 0.283 180 L C 0.552 177.138 176.870 -0.473 0.000 1.013 180 L CA -0.531 54.230 54.840 -0.132 0.000 0.816 180 L CB 1.844 43.797 42.059 -0.176 0.000 1.236 180 L HN 0.696 nan 8.230 nan 0.000 0.419 181 A N 4.910 127.080 122.820 -1.083 0.000 2.492 181 A HA 0.228 4.548 4.320 -0.000 0.000 0.236 181 A C -1.619 175.551 177.584 -0.691 0.000 1.078 181 A CA -0.693 50.353 52.037 -1.651 0.000 0.773 181 A CB -0.218 18.056 19.000 -1.209 0.000 1.023 181 A HN 0.648 nan 8.150 nan 0.000 0.504 182 P HA -0.238 nan 4.420 nan 0.000 0.216 182 P C 0.952 178.128 177.300 -0.207 0.000 1.167 182 P CA 2.083 65.046 63.100 -0.230 0.000 0.914 182 P CB 0.025 31.633 31.700 -0.154 0.000 0.793 183 E N -0.290 119.763 120.200 -0.246 0.000 2.048 183 E HA -0.202 4.148 4.350 -0.000 0.000 0.202 183 E C 2.080 178.548 176.600 -0.219 0.000 1.021 183 E CA 1.293 57.559 56.400 -0.223 0.000 0.825 183 E CB -1.541 27.994 29.700 -0.276 0.000 0.756 183 E HN 0.212 nan 8.360 nan 0.000 0.454 184 L N 0.173 121.212 121.223 -0.306 0.000 2.079 184 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 184 L C 2.498 179.354 176.870 -0.023 0.000 1.081 184 L CA 0.940 55.602 54.840 -0.297 0.000 0.752 184 L CB -0.498 41.296 42.059 -0.442 0.000 0.896 184 L HN 0.147 nan 8.230 nan 0.000 0.433 185 L N -0.488 120.697 121.223 -0.063 0.000 2.017 185 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 185 L C 2.572 179.459 176.870 0.028 0.000 1.073 185 L CA 1.386 56.228 54.840 0.004 0.000 0.745 185 L CB -0.469 41.572 42.059 -0.030 0.000 0.894 185 L HN 0.281 nan 8.230 nan 0.000 0.432 186 E N -0.033 120.161 120.200 -0.010 0.000 2.012 186 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 186 E C 1.020 177.640 176.600 0.033 0.000 1.007 186 E CA 0.693 57.094 56.400 0.002 0.000 0.816 186 E CB -0.277 29.408 29.700 -0.025 0.000 0.762 186 E HN 0.282 nan 8.360 nan 0.000 0.451 187 N N 1.316 120.035 118.700 0.031 0.000 2.348 187 N HA -0.095 4.645 4.740 -0.000 0.000 0.286 187 N C 0.707 176.303 175.510 0.143 0.000 1.371 187 N CA 0.494 53.591 53.050 0.077 0.000 0.966 187 N CB 0.601 39.132 38.487 0.073 0.000 1.356 187 N HN 0.263 nan 8.380 nan 0.000 0.490 188 G N 2.922 111.786 108.800 0.106 0.000 2.448 188 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 188 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 188 G C 1.417 176.394 174.900 0.129 0.000 1.127 188 G CA 0.887 46.051 45.100 0.108 0.000 0.766 188 G HN 0.700 nan 8.290 nan 0.000 0.552 189 A N 0.947 123.852 122.820 0.143 0.000 1.834 189 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 189 A C 2.136 179.843 177.584 0.205 0.000 1.203 189 A CA 1.664 53.792 52.037 0.152 0.000 0.621 189 A CB -0.823 18.267 19.000 0.150 0.000 0.841 189 A HN 0.434 nan 8.150 nan 0.000 0.446 190 F N 0.332 120.357 119.950 0.125 0.000 2.043 190 F HA -0.239 4.288 4.527 -0.000 0.000 0.297 190 F C 1.955 177.879 175.800 0.207 0.000 1.121 190 F CA 2.158 60.269 58.000 0.185 0.000 1.199 190 F CB -0.535 38.576 39.000 0.186 0.000 0.968 190 F HN 0.209 nan 8.300 nan 0.000 0.478 191 L N 1.178 122.561 121.223 0.267 0.000 2.034 191 L HA -0.307 4.033 4.340 -0.000 0.000 0.217 191 L C 2.085 178.996 176.870 0.067 0.000 1.077 191 L CA 2.294 57.221 54.840 0.146 0.000 0.769 191 L CB -1.417 40.755 42.059 0.187 0.000 0.890 191 L HN 0.268 nan 8.230 nan 0.000 0.435 192 D N -0.549 119.891 120.400 0.066 0.000 2.106 192 D HA -0.271 4.369 4.640 -0.000 0.000 0.191 192 D C 2.001 178.303 176.300 0.003 0.000 0.997 192 D CA 1.796 55.821 54.000 0.041 0.000 0.834 192 D CB -0.019 40.808 40.800 0.045 0.000 0.956 192 D HN 0.598 nan 8.370 nan 0.000 0.448 193 E N -0.280 119.909 120.200 -0.018 0.000 2.033 193 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 193 E C 2.194 178.735 176.600 -0.098 0.000 1.011 193 E CA 0.875 57.251 56.400 -0.040 0.000 0.815 193 E CB -0.273 29.432 29.700 0.008 0.000 0.755 193 E HN 0.180 nan 8.360 nan 0.000 0.451 194 F N 1.447 121.195 119.950 -0.337 0.000 2.095 194 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 194 F C 2.559 178.307 175.800 -0.087 0.000 1.104 194 F CA 1.794 59.620 58.000 -0.289 0.000 1.232 194 F CB -0.121 38.602 39.000 -0.461 0.000 0.987 194 F HN -0.098 nan 8.300 nan 0.000 0.475 195 R N -0.057 120.506 120.500 0.104 0.000 2.120 195 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 195 R C 1.979 178.234 176.300 -0.075 0.000 1.123 195 R CA 1.421 57.555 56.100 0.057 0.000 0.975 195 R CB -0.139 30.219 30.300 0.097 0.000 0.866 195 R HN 0.140 nan 8.270 nan 0.000 0.446 196 K N -0.375 119.959 120.400 -0.109 0.000 2.243 196 K HA -0.015 4.305 4.320 -0.000 0.000 0.201 196 K C 1.883 178.328 176.600 -0.259 0.000 1.051 196 K CA 0.856 57.058 56.287 -0.142 0.000 0.970 196 K CB 0.060 32.501 32.500 -0.099 0.000 0.755 196 K HN -0.002 nan 8.250 nan 0.000 0.465 197 R N -1.120 119.137 120.500 -0.404 0.000 2.223 197 R HA 0.147 4.487 4.340 -0.000 0.000 0.198 197 R C -0.548 175.088 176.300 -1.106 0.000 0.984 197 R CA 0.480 56.146 56.100 -0.723 0.000 1.018 197 R CB 0.393 30.192 30.300 -0.835 0.000 0.945 197 R HN -0.021 nan 8.270 nan 0.000 0.479 198 F N 1.402 121.027 119.950 -0.541 0.000 2.691 198 F HA 0.363 4.890 4.527 -0.000 0.000 0.371 198 F C -1.896 173.702 175.800 -0.336 0.000 1.159 198 F CA -2.330 55.375 58.000 -0.492 0.000 1.174 198 F CB 2.120 40.611 39.000 -0.849 0.000 1.419 198 F HN -0.085 nan 8.300 nan 0.000 0.514 199 P HA -0.007 nan 4.420 nan 0.000 0.285 199 P C 0.315 177.625 177.300 0.016 0.000 1.521 199 P CA 0.533 63.612 63.100 -0.035 0.000 0.792 199 P CB -0.052 31.619 31.700 -0.049 0.000 1.613 203 S N -0.078 115.633 115.700 0.018 0.000 2.541 203 S HA 0.396 4.866 4.470 -0.000 0.000 0.271 203 S C -1.215 173.401 174.600 0.026 0.000 1.133 203 S CA -0.795 57.419 58.200 0.024 0.000 0.876 203 S CB 2.778 65.959 63.200 -0.032 0.000 1.105 203 S HN 0.542 nan 8.310 nan 0.000 0.470 204 E N 0.886 121.174 120.200 0.146 0.000 2.313 204 E HA 0.622 4.972 4.350 -0.000 0.000 0.276 204 E C -0.484 176.262 176.600 0.244 0.000 1.031 204 E CA -0.307 56.199 56.400 0.177 0.000 0.857 204 E CB 1.042 30.846 29.700 0.172 0.000 1.040 204 E HN 0.663 nan 8.360 nan 0.000 0.408 205 A N 4.307 127.271 122.820 0.241 0.000 2.594 205 A HA 0.513 4.833 4.320 -0.000 0.000 0.295 205 A C -2.672 175.044 177.584 0.219 0.000 1.071 205 A CA -1.364 50.801 52.037 0.213 0.000 0.685 205 A CB 1.538 20.567 19.000 0.048 0.000 1.285 205 A HN 0.435 nan 8.150 nan 0.000 0.405 206 P HA 0.366 nan 4.420 nan 0.000 0.282 206 P C -0.930 176.401 177.300 0.052 0.000 1.262 206 P CA 0.147 63.323 63.100 0.126 0.000 0.773 206 P CB 0.294 32.029 31.700 0.058 0.000 0.879 207 F N 1.756 121.700 119.950 -0.009 0.000 2.987 207 F HA 0.159 4.686 4.527 -0.000 0.000 0.302 207 F C 0.990 176.770 175.800 -0.033 0.000 1.221 207 F CA -0.257 57.728 58.000 -0.026 0.000 1.307 207 F CB 0.047 39.020 39.000 -0.045 0.000 1.108 207 F HN 0.107 nan 8.300 nan 0.000 0.521 208 E N 3.012 123.249 120.200 0.061 0.000 2.290 208 E HA 0.143 4.493 4.350 -0.000 0.000 0.277 208 E C -2.107 174.491 176.600 -0.003 0.000 1.035 208 E CA -2.332 54.084 56.400 0.028 0.000 0.873 208 E CB 0.082 29.787 29.700 0.008 0.000 1.029 208 E HN 0.131 nan 8.360 nan 0.000 0.419 209 P HA -0.078 nan 4.420 nan 0.000 0.269 209 P C -0.055 177.218 177.300 -0.045 0.000 1.205 209 P CA 0.391 63.472 63.100 -0.032 0.000 0.780 209 P CB 0.943 32.624 31.700 -0.032 0.000 0.858 210 E N 0.430 120.589 120.200 -0.068 0.000 2.321 210 E HA 0.449 4.799 4.350 -0.000 0.000 0.278 210 E C 0.147 176.696 176.600 -0.086 0.000 0.902 210 E CA 0.014 56.376 56.400 -0.064 0.000 0.758 210 E CB 1.928 31.593 29.700 -0.058 0.000 1.213 210 E HN 0.798 nan 8.360 nan 0.000 0.426 211 G N 3.806 112.570 108.800 -0.059 0.000 2.641 211 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 211 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 211 G C -0.314 174.549 174.900 -0.063 0.000 1.315 211 G CA 0.437 45.500 45.100 -0.062 0.000 0.907 211 G HN 0.749 nan 8.290 nan 0.000 0.572 212 E N -0.562 119.605 120.200 -0.055 0.000 2.249 212 E HA 0.751 5.101 4.350 -0.000 0.000 0.263 212 E C 0.430 177.008 176.600 -0.036 0.000 0.950 212 E CA -0.497 55.884 56.400 -0.031 0.000 0.827 212 E CB 1.874 31.577 29.700 0.004 0.000 1.220 212 E HN 2.524 nan 8.360 nan 0.000 0.411 213 G N 0.331 109.128 108.800 -0.005 0.000 2.384 213 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.668 213 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.668 213 G C -2.832 172.055 174.900 -0.022 0.000 1.280 213 G CA -0.813 44.300 45.100 0.022 0.000 0.992 213 G HN 0.552 nan 8.290 nan 0.000 0.512 214 P HA 0.080 nan 4.420 nan 0.000 0.261 214 P C 1.645 178.898 177.300 -0.079 0.000 1.165 214 P CA -0.167 62.911 63.100 -0.036 0.000 0.759 214 P CB 0.417 32.093 31.700 -0.039 0.000 0.772 215 L N 3.636 124.823 121.223 -0.060 0.000 2.010 215 L HA -0.358 3.982 4.340 -0.000 0.000 0.219 215 L C 2.041 178.865 176.870 -0.076 0.000 1.077 215 L CA 2.544 57.345 54.840 -0.065 0.000 0.773 215 L CB -0.898 41.125 42.059 -0.060 0.000 0.892 215 L HN 0.473 nan 8.230 nan 0.000 0.436 216 A N -0.463 122.306 122.820 -0.085 0.000 1.892 216 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 216 A C 2.115 179.646 177.584 -0.087 0.000 1.188 216 A CA 2.173 54.161 52.037 -0.081 0.000 0.631 216 A CB -0.913 18.035 19.000 -0.087 0.000 0.822 216 A HN 0.472 nan 8.150 nan 0.000 0.447 217 L N -0.112 121.018 121.223 -0.156 0.000 2.046 217 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 217 L C 2.564 179.297 176.870 -0.227 0.000 1.077 217 L CA 1.896 56.595 54.840 -0.235 0.000 0.747 217 L CB -0.624 41.183 42.059 -0.420 0.000 0.896 217 L HN 0.384 nan 8.230 nan 0.000 0.432 218 R N -1.080 119.306 120.500 -0.191 0.000 2.120 218 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 218 R C 2.272 178.507 176.300 -0.107 0.000 1.123 218 R CA 1.312 57.311 56.100 -0.168 0.000 0.975 218 R CB -0.353 29.875 30.300 -0.119 0.000 0.866 218 R HN 0.398 nan 8.270 nan 0.000 0.446 219 R N 0.487 120.960 120.500 -0.046 0.000 2.062 219 R HA 0.012 4.352 4.340 -0.000 0.000 0.229 219 R C 2.434 178.748 176.300 0.023 0.000 1.128 219 R CA 1.187 57.315 56.100 0.046 0.000 0.960 219 R CB -0.363 30.026 30.300 0.149 0.000 0.855 219 R HN 0.177 nan 8.270 nan 0.000 0.432 220 A N 1.407 124.256 122.820 0.047 0.000 1.883 220 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 220 A C 2.160 179.657 177.584 -0.145 0.000 1.186 220 A CA 1.579 53.610 52.037 -0.011 0.000 0.624 220 A CB -0.512 18.495 19.000 0.013 0.000 0.822 220 A HN 0.226 nan 8.150 nan 0.000 0.444 221 R N -0.745 119.678 120.500 -0.128 0.000 2.080 221 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 221 R C 2.318 178.597 176.300 -0.036 0.000 1.137 221 R CA 1.859 57.916 56.100 -0.071 0.000 0.943 221 R CB -0.844 29.287 30.300 -0.281 0.000 0.846 221 R HN 0.465 nan 8.270 nan 0.000 0.431 222 G N -0.225 108.509 108.800 -0.109 0.000 2.440 222 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 222 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 222 G C 1.526 176.315 174.900 -0.185 0.000 1.154 222 G CA 0.928 45.962 45.100 -0.110 0.000 0.767 222 G HN 0.523 nan 8.290 nan 0.000 0.552 223 A N 0.606 123.181 122.820 -0.408 0.000 1.892 223 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 223 A C 2.473 179.889 177.584 -0.280 0.000 1.188 223 A CA 1.543 53.193 52.037 -0.646 0.000 0.631 223 A CB -0.535 17.420 19.000 -1.742 0.000 0.822 223 A HN 0.372 nan 8.150 nan 0.000 0.447 224 L N -0.860 120.261 121.223 -0.170 0.000 1.970 224 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 224 L C 2.715 179.602 176.870 0.028 0.000 1.071 224 L CA 1.630 56.473 54.840 0.006 0.000 0.751 224 L CB -0.599 41.551 42.059 0.151 0.000 0.889 224 L HN 0.414 nan 8.230 nan 0.000 0.432 225 L N -0.708 120.509 121.223 -0.010 0.000 2.012 225 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 225 L C 2.863 179.719 176.870 -0.022 0.000 1.073 225 L CA 1.304 56.112 54.840 -0.053 0.000 0.748 225 L CB -0.773 41.250 42.059 -0.060 0.000 0.891 225 L HN 0.293 nan 8.230 nan 0.000 0.431 226 A N -0.685 122.124 122.820 -0.019 0.000 1.851 226 A HA -0.310 4.010 4.320 -0.000 0.000 0.216 226 A C 2.178 179.791 177.584 0.049 0.000 1.195 226 A CA 1.944 53.980 52.037 -0.000 0.000 0.622 226 A CB -1.079 17.912 19.000 -0.016 0.000 0.831 226 A HN 0.415 nan 8.150 nan 0.000 0.444 227 Y N 0.252 120.524 120.300 -0.046 0.000 2.070 227 Y HA -0.137 4.413 4.550 -0.000 0.000 0.280 227 Y C 2.868 178.779 175.900 0.018 0.000 1.148 227 Y CA 1.707 59.809 58.100 0.003 0.000 1.125 227 Y CB -0.727 37.738 38.460 0.009 0.000 0.975 227 Y HN 0.324 nan 8.280 nan 0.000 0.492 228 A N -0.055 122.856 122.820 0.151 0.000 1.917 228 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 228 A C 2.125 179.700 177.584 -0.015 0.000 1.182 228 A CA 2.126 54.200 52.037 0.062 0.000 0.633 228 A CB -0.921 18.111 19.000 0.053 0.000 0.819 228 A HN 0.687 nan 8.150 nan 0.000 0.448 229 Q N -1.340 118.445 119.800 -0.025 0.000 2.181 229 Q HA -0.204 4.136 4.340 -0.000 0.000 0.205 229 Q C 2.357 178.329 176.000 -0.046 0.000 0.980 229 Q CA 1.572 57.353 55.803 -0.037 0.000 0.862 229 Q CB -0.141 28.576 28.738 -0.036 0.000 0.905 229 Q HN 0.714 nan 8.270 nan 0.000 0.429 230 R N 0.070 120.528 120.500 -0.071 0.000 2.075 230 R HA -0.096 4.244 4.340 -0.000 0.000 0.226 230 R C 2.313 178.554 176.300 -0.099 0.000 1.114 230 R CA 1.756 57.801 56.100 -0.090 0.000 0.972 230 R CB -0.074 30.143 30.300 -0.138 0.000 0.869 230 R HN 0.306 nan 8.270 nan 0.000 0.437 231 T N -1.636 112.841 114.554 -0.129 0.000 3.023 231 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 231 T C 1.826 176.505 174.700 -0.035 0.000 1.093 231 T CA 0.446 62.494 62.100 -0.086 0.000 1.129 231 T CB 0.117 68.942 68.868 -0.072 0.000 0.899 231 T HN 0.103 nan 8.240 nan 0.000 0.491 232 Q N 1.903 121.685 119.800 -0.029 0.000 2.096 232 Q HA 0.126 4.466 4.340 -0.000 0.000 0.197 232 Q C 1.594 177.583 176.000 -0.019 0.000 0.964 232 Q CA 1.424 57.219 55.803 -0.014 0.000 0.838 232 Q CB -0.481 28.249 28.738 -0.013 0.000 0.906 232 Q HN 0.811 nan 8.270 nan 0.000 0.444 233 G N -0.261 108.523 108.800 -0.027 0.000 2.325 233 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.248 233 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.248 233 G C 0.219 175.108 174.900 -0.018 0.000 1.108 233 G CA 0.559 45.644 45.100 -0.024 0.000 0.881 233 G HN 0.797 nan 8.290 nan 0.000 0.494 234 G N -1.573 107.215 108.800 -0.019 0.000 2.359 234 G HA2 0.692 4.652 3.960 -0.000 0.000 0.293 234 G HA3 0.692 4.652 3.960 -0.000 0.000 0.293 234 G C 0.086 174.973 174.900 -0.021 0.000 1.300 234 G CA 0.723 45.813 45.100 -0.017 0.000 0.888 234 G HN 2.040 nan 8.290 nan 0.000 0.541 235 A N -0.632 122.176 122.820 -0.020 0.000 2.520 235 A HA 0.590 4.910 4.320 -0.000 0.000 0.235 235 A C 0.614 178.181 177.584 -0.028 0.000 1.065 235 A CA 0.311 52.333 52.037 -0.025 0.000 0.764 235 A CB -0.099 18.890 19.000 -0.019 0.000 1.002 235 A HN 1.005 nan 8.150 nan 0.000 0.502 236 L N 1.186 122.383 121.223 -0.043 0.000 2.416 236 L HA 0.403 4.743 4.340 -0.000 0.000 0.262 236 L C 0.986 177.830 176.870 -0.044 0.000 1.093 236 L CA -0.368 54.443 54.840 -0.049 0.000 0.801 236 L CB 1.537 43.546 42.059 -0.084 0.000 1.191 236 L HN 0.663 nan 8.230 nan 0.000 0.459 237 S N 2.229 117.909 115.700 -0.034 0.000 2.835 237 S HA 0.494 4.964 4.470 -0.000 0.000 0.286 237 S C -0.389 174.199 174.600 -0.020 0.000 1.194 237 S CA -0.634 57.556 58.200 -0.017 0.000 1.031 237 S CB -0.633 62.564 63.200 -0.004 0.000 1.216 237 S HN 0.333 nan 8.310 nan 0.000 0.502 238 L N 3.236 124.442 121.223 -0.028 0.000 2.375 238 L HA 0.581 4.921 4.340 -0.000 0.000 0.268 238 L C 0.526 177.442 176.870 0.076 0.000 1.058 238 L CA -0.928 53.901 54.840 -0.018 0.000 0.803 238 L CB 0.879 42.875 42.059 -0.104 0.000 1.212 238 L HN 0.373 nan 8.230 nan 0.000 0.451 239 Q N 0.728 120.621 119.800 0.154 0.000 2.241 239 Q HA 0.445 4.785 4.340 -0.000 0.000 0.262 239 Q C -2.317 173.837 176.000 0.257 0.000 1.014 239 Q CA -2.004 53.902 55.803 0.172 0.000 0.885 239 Q CB 1.546 30.377 28.738 0.155 0.000 1.311 239 Q HN 0.270 nan 8.270 nan 0.000 0.461 240 P HA -0.071 nan 4.420 nan 0.000 0.261 240 P C -0.659 176.810 177.300 0.281 0.000 1.173 240 P CA 0.379 63.617 63.100 0.230 0.000 0.760 240 P CB 0.009 31.802 31.700 0.155 0.000 0.783 241 F N 4.538 124.612 119.950 0.206 0.000 2.495 241 F HA 0.165 4.692 4.527 -0.000 0.000 0.365 241 F C 0.785 176.614 175.800 0.049 0.000 1.090 241 F CA -0.041 57.989 58.000 0.049 0.000 1.235 241 F CB 0.500 39.401 39.000 -0.165 0.000 1.119 241 F HN 0.161 nan 8.300 nan 0.000 0.562 242 R N 7.640 127.680 120.500 -0.766 0.000 2.229 242 R HA 0.202 4.542 4.340 -0.000 0.000 0.332 242 R C -1.066 174.973 176.300 -0.436 0.000 0.989 242 R CA -0.590 55.294 56.100 -0.360 0.000 0.842 242 R CB 1.115 31.339 30.300 -0.126 0.000 1.119 242 R HN 0.775 nan 8.270 nan 0.000 0.456 243 F N 6.358 126.221 119.950 -0.145 0.000 2.309 243 F HA 0.206 4.733 4.527 -0.000 0.000 0.366 243 F C -0.632 175.170 175.800 0.002 0.000 1.104 243 F CA -1.119 56.882 58.000 0.002 0.000 1.179 243 F CB 0.280 39.380 39.000 0.167 0.000 1.437 243 F HN 0.526 nan 8.300 nan 0.000 0.528 244 Y N 2.331 122.794 120.300 0.271 0.000 2.458 244 Y HA 0.541 5.090 4.550 -0.000 0.000 0.322 244 Y C -1.169 174.830 175.900 0.165 0.000 1.259 244 Y CA -1.367 56.815 58.100 0.136 0.000 1.302 244 Y CB 0.876 39.404 38.460 0.113 0.000 1.314 244 Y HN 0.422 nan 8.280 nan 0.000 0.509 245 D N 2.176 122.662 120.400 0.143 0.000 2.462 245 D HA 0.319 4.959 4.640 -0.000 0.000 0.245 245 D C -2.119 174.313 176.300 0.219 0.000 1.122 245 D CA -2.813 51.222 54.000 0.058 0.000 0.864 245 D CB 1.622 42.403 40.800 -0.032 0.000 1.098 245 D HN 0.389 nan 8.370 nan 0.000 0.541 246 P HA 0.005 nan 4.420 nan 0.000 0.236 246 P C 1.091 178.559 177.300 0.281 0.000 1.172 246 P CA 0.383 63.720 63.100 0.394 0.000 0.759 246 P CB 0.235 32.178 31.700 0.406 0.000 0.843 247 G N 0.153 109.042 108.800 0.148 0.000 2.712 247 G HA2 0.061 4.021 3.960 -0.000 0.000 0.212 247 G HA3 0.061 4.021 3.960 -0.000 0.000 0.212 247 G C 1.496 176.400 174.900 0.008 0.000 1.142 247 G CA 0.517 45.671 45.100 0.091 0.000 0.789 247 G HN 0.360 nan 8.290 nan 0.000 0.535 248 A N -0.461 122.297 122.820 -0.103 0.000 2.208 248 A HA 0.605 4.925 4.320 -0.000 0.000 0.209 248 A C 0.366 177.615 177.584 -0.559 0.000 1.161 248 A CA 0.011 51.829 52.037 -0.365 0.000 0.782 248 A CB -0.084 18.593 19.000 -0.539 0.000 0.816 248 A HN 0.225 nan 8.150 nan 0.000 0.477 252 L N 4.249 125.452 121.223 -0.032 0.000 2.495 252 L HA 0.362 4.702 4.340 -0.000 0.000 0.248 252 L C -2.165 174.708 176.870 0.006 0.000 1.229 252 L CA -1.716 53.085 54.840 -0.066 0.000 0.942 252 L CB 1.558 43.591 42.059 -0.044 0.000 1.242 252 L HN 0.135 nan 8.230 nan 0.000 0.484 253 P HA -0.072 nan 4.420 nan 0.000 0.272 253 P C 0.833 178.177 177.300 0.074 0.000 1.243 253 P CA 0.042 63.186 63.100 0.072 0.000 0.803 253 P CB 0.929 32.681 31.700 0.088 0.000 0.974 254 E N 0.540 120.771 120.200 0.052 0.000 2.077 254 E HA -0.213 4.136 4.350 -0.000 0.000 0.193 254 E C 1.803 178.324 176.600 -0.133 0.000 0.989 254 E CA 1.264 57.609 56.400 -0.092 0.000 0.800 254 E CB -0.488 28.970 29.700 -0.403 0.000 0.746 254 E HN 0.440 nan 8.360 nan 0.000 0.452 255 A N 0.110 122.874 122.820 -0.093 0.000 2.019 255 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 255 A C 2.255 179.815 177.584 -0.040 0.000 1.164 255 A CA 1.922 53.914 52.037 -0.075 0.000 0.644 255 A CB -0.639 18.335 19.000 -0.043 0.000 0.805 255 A HN 0.318 nan 8.150 nan 0.000 0.449 256 T N 0.133 114.672 114.554 -0.024 0.000 2.809 256 T HA 0.035 4.385 4.350 -0.000 0.000 0.260 256 T C 1.823 176.508 174.700 -0.025 0.000 1.039 256 T CA 1.138 63.215 62.100 -0.038 0.000 1.141 256 T CB -0.319 68.503 68.868 -0.077 0.000 0.869 256 T HN 0.358 nan 8.240 nan 0.000 0.437 257 L N 0.500 121.736 121.223 0.021 0.000 2.042 257 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 257 L C 2.932 179.846 176.870 0.074 0.000 1.076 257 L CA 1.464 56.336 54.840 0.054 0.000 0.749 257 L CB -0.486 41.710 42.059 0.229 0.000 0.893 257 L HN 0.179 nan 8.230 nan 0.000 0.432 258 R N -0.132 120.416 120.500 0.080 0.000 2.061 258 R HA -0.115 4.225 4.340 -0.000 0.000 0.230 258 R C 2.446 178.755 176.300 0.017 0.000 1.140 258 R CA 1.427 57.558 56.100 0.052 0.000 0.940 258 R CB -0.589 29.691 30.300 -0.034 0.000 0.839 258 R HN 0.325 nan 8.270 nan 0.000 0.429 259 A N 0.729 123.545 122.820 -0.007 0.000 1.978 259 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 259 A C 1.833 179.418 177.584 0.003 0.000 1.170 259 A CA 1.213 53.246 52.037 -0.006 0.000 0.636 259 A CB -0.202 18.788 19.000 -0.016 0.000 0.810 259 A HN 0.132 nan 8.150 nan 0.000 0.448 260 L N -0.146 121.070 121.223 -0.012 0.000 2.592 260 L HA 0.121 4.461 4.340 -0.000 0.000 0.227 260 L C 0.330 177.190 176.870 -0.017 0.000 1.127 260 L CA 0.751 55.577 54.840 -0.024 0.000 0.884 260 L CB -0.969 41.046 42.059 -0.074 0.000 1.065 260 L HN 0.580 nan 8.230 nan 0.000 0.457 261 E N -1.843 118.359 120.200 0.003 0.000 2.269 261 E HA -0.244 4.106 4.350 -0.000 0.000 0.223 261 E C 1.321 177.904 176.600 -0.029 0.000 1.244 261 E CA 0.353 56.764 56.400 0.017 0.000 0.713 261 E CB -1.925 27.797 29.700 0.037 0.000 1.178 261 E HN 0.240 nan 8.360 nan 0.000 0.370 262 V N -1.207 118.634 119.914 -0.121 0.000 2.295 262 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 262 V C 1.705 177.586 176.094 -0.355 0.000 1.049 262 V CA 2.431 64.536 62.300 -0.325 0.000 1.024 262 V CB -0.385 31.085 31.823 -0.588 0.000 0.648 262 V HN 0.428 nan 8.190 nan 0.000 0.447 263 F N -1.097 118.867 119.950 0.022 0.000 2.637 263 F HA 0.308 4.835 4.527 -0.000 0.000 0.284 263 F C 1.023 176.821 175.800 -0.004 0.000 1.105 263 F CA -0.240 57.745 58.000 -0.025 0.000 1.356 263 F CB 0.625 39.536 39.000 -0.149 0.000 1.096 263 F HN 0.093 nan 8.300 nan 0.000 0.616 264 E N 1.665 121.980 120.200 0.191 0.000 2.238 264 E HA 0.297 4.647 4.350 -0.000 0.000 0.267 264 E C -2.533 174.121 176.600 0.091 0.000 0.887 264 E CA -2.275 54.200 56.400 0.125 0.000 0.769 264 E CB 2.098 31.876 29.700 0.130 0.000 1.187 264 E HN -0.170 nan 8.360 nan 0.000 0.416 265 P HA 0.221 nan 4.420 nan 0.000 0.283 265 P C -0.011 177.309 177.300 0.033 0.000 1.278 265 P CA -0.479 62.648 63.100 0.046 0.000 0.834 265 P CB 1.545 33.267 31.700 0.037 0.000 1.150 266 L N -0.200 121.035 121.223 0.021 0.000 2.357 266 L HA 0.198 4.538 4.340 -0.000 0.000 0.211 266 L C 1.294 178.166 176.870 0.003 0.000 1.075 266 L CA 0.785 55.630 54.840 0.010 0.000 0.830 266 L CB -0.064 41.997 42.059 0.004 0.000 0.996 266 L HN 0.300 nan 8.230 nan 0.000 0.467 267 R N -0.195 120.307 120.500 0.003 0.000 2.644 267 R HA 0.259 4.599 4.340 -0.000 0.000 0.271 267 R C 0.516 176.817 176.300 0.001 0.000 1.687 267 R CA 0.050 56.149 56.100 -0.002 0.000 1.655 267 R CB 0.924 31.220 30.300 -0.008 0.000 1.285 267 R HN 0.147 nan 8.270 nan 0.000 0.643 268 G N 1.422 110.225 108.800 0.005 0.000 2.420 268 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.305 268 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.305 268 G C 0.286 175.191 174.900 0.007 0.000 0.971 268 G CA 1.063 46.166 45.100 0.006 0.000 0.843 268 G HN 0.492 nan 8.290 nan 0.000 0.512 269 Q N -0.524 119.281 119.800 0.009 0.000 2.582 269 Q HA 0.442 4.782 4.340 -0.000 0.000 0.173 269 Q C 0.178 176.188 176.000 0.017 0.000 1.068 269 Q CA -0.547 55.261 55.803 0.007 0.000 0.917 269 Q CB 0.506 29.243 28.738 -0.001 0.000 2.945 269 Q HN 0.362 nan 8.270 nan 0.000 0.448 270 D N 0.378 120.788 120.400 0.016 0.000 2.466 270 D HA 0.339 4.979 4.640 -0.000 0.000 0.262 270 D C -0.346 175.980 176.300 0.043 0.000 1.177 270 D CA -0.112 53.904 54.000 0.028 0.000 1.035 270 D CB 1.141 41.949 40.800 0.013 0.000 1.105 270 D HN 0.571 nan 8.370 nan 0.000 0.551 271 T N -2.890 111.700 114.554 0.060 0.000 2.865 271 T HA 0.268 4.618 4.350 -0.000 0.000 0.294 271 T C 0.749 175.484 174.700 0.059 0.000 1.119 271 T CA -0.781 61.361 62.100 0.070 0.000 1.007 271 T CB 1.218 70.155 68.868 0.115 0.000 1.225 271 T HN 0.121 nan 8.240 nan 0.000 0.515 272 L N 0.267 121.505 121.223 0.026 0.000 2.042 272 L HA 0.134 4.474 4.340 -0.000 0.000 0.210 272 L C 2.045 178.940 176.870 0.042 0.000 1.076 272 L CA 1.791 56.631 54.840 -0.001 0.000 0.749 272 L CB -1.182 40.835 42.059 -0.071 0.000 0.893 272 L HN 0.782 nan 8.230 nan 0.000 0.432 273 F N -0.232 119.690 119.950 -0.047 0.000 2.102 273 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 273 F C 2.885 178.713 175.800 0.048 0.000 1.105 273 F CA 1.699 59.712 58.000 0.023 0.000 1.239 273 F CB -0.700 38.377 39.000 0.127 0.000 0.991 273 F HN 0.321 nan 8.300 nan 0.000 0.474 274 S N -0.140 115.615 115.700 0.092 0.000 2.365 274 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 274 S C 2.036 176.597 174.600 -0.065 0.000 1.039 274 S CA 1.978 60.185 58.200 0.012 0.000 1.033 274 S CB -1.240 62.005 63.200 0.075 0.000 0.887 274 S HN 0.183 nan 8.310 nan 0.000 0.447 275 V N 1.715 121.615 119.914 -0.024 0.000 2.427 275 V HA -0.046 4.074 4.120 -0.000 0.000 0.248 275 V C 2.555 178.669 176.094 0.033 0.000 1.051 275 V CA 1.827 64.134 62.300 0.012 0.000 1.048 275 V CB -0.814 31.016 31.823 0.012 0.000 0.666 275 V HN 0.522 nan 8.190 nan 0.000 0.456 276 L N -0.069 121.124 121.223 -0.051 0.000 2.095 276 L HA 0.034 4.374 4.340 -0.000 0.000 0.204 276 L C 0.995 177.753 176.870 -0.187 0.000 1.080 276 L CA 0.907 55.715 54.840 -0.054 0.000 0.759 276 L CB -0.054 41.976 42.059 -0.047 0.000 0.914 276 L HN 0.408 nan 8.230 nan 0.000 0.439 277 D N 0.670 120.816 120.400 -0.424 0.000 2.338 277 D HA -0.014 4.626 4.640 -0.000 0.000 0.255 277 D C 0.271 176.422 176.300 -0.248 0.000 1.237 277 D CA 0.484 54.209 54.000 -0.459 0.000 0.883 277 D CB 0.628 40.883 40.800 -0.910 0.000 1.087 277 D HN 0.223 nan 8.370 nan 0.000 0.485 278 E N 2.066 122.157 120.200 -0.182 0.000 2.758 278 E HA 0.064 4.414 4.350 -0.000 0.000 0.215 278 E C 0.087 176.616 176.600 -0.119 0.000 0.985 278 E CA -0.203 56.116 56.400 -0.135 0.000 1.102 278 E CB 0.419 30.033 29.700 -0.143 0.000 1.042 278 E HN 0.596 nan 8.360 nan 0.000 0.480 279 T N -0.698 113.779 114.554 -0.127 0.000 2.908 279 T HA 0.093 4.443 4.350 -0.000 0.000 0.325 279 T C 1.095 175.746 174.700 -0.082 0.000 1.092 279 T CA -0.203 61.830 62.100 -0.111 0.000 1.125 279 T CB 1.474 70.275 68.868 -0.112 0.000 1.016 279 T HN -0.053 nan 8.240 nan 0.000 0.550 280 R N 0.396 120.851 120.500 -0.074 0.000 2.225 280 R HA 0.149 4.489 4.340 -0.000 0.000 0.194 280 R C 1.457 177.713 176.300 -0.074 0.000 0.957 280 R CA 0.750 56.822 56.100 -0.047 0.000 1.042 280 R CB -0.326 29.963 30.300 -0.017 0.000 1.004 280 R HN 0.942 nan 8.270 nan 0.000 0.509 281 T N -2.995 111.510 114.554 -0.083 0.000 2.944 281 T HA 0.570 4.920 4.350 -0.000 0.000 0.284 281 T C 1.208 175.856 174.700 -0.086 0.000 1.010 281 T CA -0.155 61.892 62.100 -0.089 0.000 1.025 281 T CB 2.201 71.019 68.868 -0.084 0.000 1.079 281 T HN 0.017 nan 8.240 nan 0.000 0.516 282 A N 1.092 123.861 122.820 -0.085 0.000 1.898 282 A HA 0.257 4.577 4.320 -0.000 0.000 0.214 282 A C -0.345 177.187 177.584 -0.087 0.000 1.183 282 A CA 0.597 52.587 52.037 -0.079 0.000 0.622 282 A CB -1.765 17.188 19.000 -0.080 0.000 0.824 282 A HN 0.709 nan 8.150 nan 0.000 0.444 283 P HA -0.089 nan 4.420 nan 0.000 0.218 283 P C 1.714 178.936 177.300 -0.130 0.000 1.148 283 P CA 1.676 64.716 63.100 -0.100 0.000 0.822 283 P CB -0.229 31.421 31.700 -0.083 0.000 0.784 284 G N 0.174 108.896 108.800 -0.131 0.000 2.453 284 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.215 284 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.215 284 G C 1.707 176.513 174.900 -0.158 0.000 1.201 284 G CA 0.820 45.816 45.100 -0.173 0.000 0.784 284 G HN 0.193 nan 8.290 nan 0.000 0.545 285 R N 0.348 120.798 120.500 -0.083 0.000 2.103 285 R HA -0.099 4.241 4.340 -0.000 0.000 0.242 285 R C 2.743 179.046 176.300 0.005 0.000 1.142 285 R CA 1.567 57.678 56.100 0.018 0.000 0.960 285 R CB -0.279 30.055 30.300 0.055 0.000 0.858 285 R HN 0.299 nan 8.270 nan 0.000 0.439 286 R N 0.114 120.564 120.500 -0.084 0.000 2.073 286 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 286 R C 2.423 178.628 176.300 -0.158 0.000 1.134 286 R CA 1.550 57.575 56.100 -0.127 0.000 0.952 286 R CB -0.576 29.642 30.300 -0.137 0.000 0.850 286 R HN 0.222 nan 8.270 nan 0.000 0.433 287 L N 1.107 122.191 121.223 -0.231 0.000 1.989 287 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 287 L C 2.204 178.755 176.870 -0.533 0.000 1.071 287 L CA 1.526 56.122 54.840 -0.406 0.000 0.749 287 L CB -0.649 41.072 42.059 -0.563 0.000 0.890 287 L HN 0.122 nan 8.230 nan 0.000 0.431 288 L N -0.412 120.560 121.223 -0.419 0.000 2.013 288 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 288 L C 2.611 179.566 176.870 0.141 0.000 1.073 288 L CA 2.328 57.056 54.840 -0.186 0.000 0.753 288 L CB -0.870 41.176 42.059 -0.022 0.000 0.890 288 L HN 0.583 nan 8.230 nan 0.000 0.432 289 Q N -1.423 118.468 119.800 0.152 0.000 2.096 289 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 289 Q C 2.401 178.411 176.000 0.016 0.000 0.982 289 Q CA 2.091 57.913 55.803 0.031 0.000 0.850 289 Q CB -0.237 28.308 28.738 -0.322 0.000 0.901 289 Q HN 0.633 nan 8.270 nan 0.000 0.422 290 S N -0.744 114.937 115.700 -0.031 0.000 2.368 290 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 290 S C 1.381 176.083 174.600 0.170 0.000 1.030 290 S CA 1.235 59.439 58.200 0.006 0.000 0.999 290 S CB -0.381 62.828 63.200 0.014 0.000 0.844 290 S HN 0.601 nan 8.310 nan 0.000 0.459 291 W N 1.575 122.875 121.300 -0.001 0.000 2.358 291 W HA 0.080 4.740 4.660 -0.000 0.000 0.303 291 W C 2.200 178.737 176.519 0.029 0.000 1.208 291 W CA 0.234 57.592 57.345 0.021 0.000 1.274 291 W CB -1.263 28.230 29.460 0.056 0.000 1.138 291 W HN 0.330 nan 8.180 nan 0.000 0.515 292 L N -0.423 120.986 121.223 0.310 0.000 2.141 292 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 292 L C 2.688 179.615 176.870 0.094 0.000 1.094 292 L CA 1.122 56.075 54.840 0.189 0.000 0.763 292 L CB -0.653 41.529 42.059 0.205 0.000 0.908 292 L HN -0.112 nan 8.230 nan 0.000 0.437 293 R N -0.832 119.716 120.500 0.080 0.000 2.120 293 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 293 R C 0.018 176.017 176.300 -0.502 0.000 1.123 293 R CA 1.073 57.047 56.100 -0.210 0.000 0.975 293 R CB -0.012 30.006 30.300 -0.470 0.000 0.866 293 R HN 0.438 nan 8.270 nan 0.000 0.446 294 H N -0.964 118.008 119.070 -0.164 0.000 2.651 294 H HA 0.264 4.820 4.556 -0.000 0.000 0.252 294 H C -2.491 172.779 175.328 -0.098 0.000 1.365 294 H CA -1.954 53.919 56.048 -0.291 0.000 1.539 294 H CB 1.386 30.535 29.762 -1.023 0.000 1.621 294 H HN 0.020 nan 8.280 nan 0.000 0.526 295 P HA -0.034 nan 4.420 nan 0.000 0.269 295 P C 0.008 177.438 177.300 0.217 0.000 1.209 295 P CA -0.030 63.147 63.100 0.127 0.000 0.776 295 P CB 1.014 32.767 31.700 0.088 0.000 0.876 296 L N 2.398 123.683 121.223 0.103 0.000 2.453 296 L HA 0.190 4.530 4.340 -0.000 0.000 0.261 296 L C 1.599 178.452 176.870 -0.029 0.000 1.179 296 L CA -0.201 54.677 54.840 0.062 0.000 0.813 296 L CB 0.151 42.168 42.059 -0.070 0.000 1.110 296 L HN 0.389 nan 8.230 nan 0.000 0.466 297 L N -0.347 120.831 121.223 -0.075 0.000 2.537 297 L HA 0.158 4.498 4.340 -0.000 0.000 0.224 297 L C 0.095 176.861 176.870 -0.173 0.000 1.065 297 L CA 0.098 54.874 54.840 -0.106 0.000 0.860 297 L CB 0.215 42.225 42.059 -0.081 0.000 1.086 297 L HN 0.608 nan 8.230 nan 0.000 0.482 298 D N 0.973 121.265 120.400 -0.180 0.000 2.295 298 D HA 0.061 4.701 4.640 -0.000 0.000 0.248 298 D C 0.751 176.901 176.300 -0.251 0.000 1.154 298 D CA -0.066 53.822 54.000 -0.188 0.000 0.857 298 D CB 1.989 42.702 40.800 -0.146 0.000 1.117 298 D HN 0.042 nan 8.370 nan 0.000 0.468 299 R N 2.636 122.973 120.500 -0.271 0.000 2.094 299 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 299 R C 2.054 178.237 176.300 -0.195 0.000 1.137 299 R CA 1.978 57.886 56.100 -0.320 0.000 0.943 299 R CB -0.538 29.646 30.300 -0.193 0.000 0.850 299 R HN 0.580 nan 8.270 nan 0.000 0.433 300 G N 1.341 110.069 108.800 -0.121 0.000 2.628 300 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 300 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 300 G C -0.860 173.996 174.900 -0.073 0.000 1.240 300 G CA 1.117 46.172 45.100 -0.074 0.000 0.792 300 G HN 0.408 nan 8.290 nan 0.000 0.593 301 P HA -0.085 nan 4.420 nan 0.000 0.216 301 P C 2.180 179.425 177.300 -0.091 0.000 1.150 301 P CA 0.994 64.047 63.100 -0.078 0.000 0.837 301 P CB -0.179 31.469 31.700 -0.086 0.000 0.786 302 L N -0.124 121.016 121.223 -0.138 0.000 2.017 302 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 302 L C 2.794 179.680 176.870 0.026 0.000 1.073 302 L CA 1.548 56.321 54.840 -0.111 0.000 0.745 302 L CB -0.935 40.955 42.059 -0.282 0.000 0.894 302 L HN -0.044 nan 8.230 nan 0.000 0.432 303 E N 0.139 120.359 120.200 0.035 0.000 2.118 303 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 303 E C 2.227 178.851 176.600 0.040 0.000 0.992 303 E CA 1.366 57.820 56.400 0.090 0.000 0.804 303 E CB -0.193 29.543 29.700 0.060 0.000 0.741 303 E HN 0.521 nan 8.360 nan 0.000 0.458 304 A N 1.759 124.581 122.820 0.004 0.000 1.877 304 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 304 A C 2.210 179.778 177.584 -0.026 0.000 1.186 304 A CA 1.396 53.423 52.037 -0.015 0.000 0.620 304 A CB -0.455 18.538 19.000 -0.011 0.000 0.822 304 A HN 0.112 nan 8.150 nan 0.000 0.443 305 R N -0.503 120.011 120.500 0.024 0.000 2.083 305 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 305 R C 2.050 178.409 176.300 0.098 0.000 1.137 305 R CA 1.615 57.783 56.100 0.114 0.000 0.951 305 R CB -0.651 29.710 30.300 0.102 0.000 0.851 305 R HN 0.510 nan 8.270 nan 0.000 0.434 306 L N 0.750 122.061 121.223 0.146 0.000 2.191 306 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 306 L C 1.724 178.697 176.870 0.171 0.000 1.103 306 L CA 0.950 55.932 54.840 0.236 0.000 0.769 306 L CB -0.438 41.745 42.059 0.206 0.000 0.908 306 L HN 0.198 nan 8.230 nan 0.000 0.438 307 D N 0.077 120.497 120.400 0.032 0.000 2.103 307 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 307 D C 2.314 178.540 176.300 -0.122 0.000 0.978 307 D CA 1.018 55.004 54.000 -0.023 0.000 0.829 307 D CB -0.062 40.703 40.800 -0.058 0.000 0.981 307 D HN 0.234 nan 8.370 nan 0.000 0.464 308 R N 0.459 120.792 120.500 -0.278 0.000 2.152 308 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 308 R C 2.313 178.392 176.300 -0.368 0.000 1.117 308 R CA 0.423 56.216 56.100 -0.511 0.000 0.981 308 R CB -0.076 29.591 30.300 -1.055 0.000 0.870 308 R HN 0.078 nan 8.270 nan 0.000 0.451 309 V N 0.597 120.431 119.914 -0.133 0.000 2.323 309 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 309 V C 2.199 178.213 176.094 -0.133 0.000 1.041 309 V CA 1.830 64.113 62.300 -0.028 0.000 1.025 309 V CB -0.392 31.434 31.823 0.006 0.000 0.656 309 V HN 0.341 nan 8.190 nan 0.000 0.451 310 E N 0.410 120.612 120.200 0.003 0.000 2.130 310 E HA -0.201 4.148 4.350 -0.000 0.000 0.196 310 E C 2.194 178.789 176.600 -0.008 0.000 0.998 310 E CA 1.504 57.974 56.400 0.118 0.000 0.806 310 E CB -0.518 29.355 29.700 0.287 0.000 0.738 310 E HN 0.566 nan 8.360 nan 0.000 0.459 311 G N 0.413 109.144 108.800 -0.115 0.000 2.545 311 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 311 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 311 G C 1.310 176.132 174.900 -0.130 0.000 1.218 311 G CA 0.992 45.975 45.100 -0.195 0.000 0.787 311 G HN 0.370 nan 8.290 nan 0.000 0.571 312 F N 0.243 120.161 119.950 -0.055 0.000 2.408 312 F HA -0.065 4.462 4.527 -0.000 0.000 0.300 312 F C 2.731 178.483 175.800 -0.080 0.000 1.090 312 F CA -0.050 57.916 58.000 -0.056 0.000 1.427 312 F CB 0.077 39.048 39.000 -0.048 0.000 1.070 312 F HN -0.013 nan 8.300 nan 0.000 0.549 313 V N -0.190 119.758 119.914 0.057 0.000 2.453 313 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 313 V C 2.198 178.308 176.094 0.028 0.000 1.048 313 V CA 1.652 63.945 62.300 -0.012 0.000 1.049 313 V CB -0.462 31.311 31.823 -0.084 0.000 0.672 313 V HN 0.239 nan 8.190 nan 0.000 0.457 314 R N 0.140 120.664 120.500 0.040 0.000 2.055 314 R HA 0.001 4.341 4.340 -0.000 0.000 0.226 314 R C 1.050 177.374 176.300 0.040 0.000 1.135 314 R CA 0.676 56.798 56.100 0.037 0.000 0.959 314 R CB -0.115 30.201 30.300 0.028 0.000 0.854 314 R HN 0.366 nan 8.270 nan 0.000 0.431 315 E N 1.334 121.570 120.200 0.060 0.000 2.614 315 E HA 0.014 4.364 4.350 -0.000 0.000 0.321 315 E C 1.038 177.688 176.600 0.083 0.000 1.354 315 E CA 0.095 56.541 56.400 0.076 0.000 1.469 315 E CB 0.063 29.826 29.700 0.104 0.000 1.197 315 E HN 0.441 nan 8.360 nan 0.000 0.497 316 G N 1.897 110.722 108.800 0.041 0.000 2.505 316 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.220 316 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.220 316 G C 1.508 176.410 174.900 0.003 0.000 1.145 316 G CA 1.071 46.178 45.100 0.011 0.000 0.761 316 G HN 0.521 nan 8.290 nan 0.000 0.571 317 A N 0.722 123.549 122.820 0.012 0.000 1.837 317 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 317 A C 2.406 179.997 177.584 0.011 0.000 1.210 317 A CA 2.016 54.056 52.037 0.005 0.000 0.632 317 A CB -0.925 18.082 19.000 0.012 0.000 0.843 317 A HN 0.597 nan 8.150 nan 0.000 0.448 318 L N -0.008 121.245 121.223 0.050 0.000 2.010 318 L HA -0.253 4.087 4.340 -0.000 0.000 0.219 318 L C 2.542 179.432 176.870 0.034 0.000 1.077 318 L CA 2.785 57.677 54.840 0.087 0.000 0.773 318 L CB -0.729 41.436 42.059 0.176 0.000 0.892 318 L HN 0.530 nan 8.230 nan 0.000 0.436 319 R N -0.889 119.625 120.500 0.025 0.000 2.091 319 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 319 R C 2.025 178.185 176.300 -0.233 0.000 1.136 319 R CA 1.664 57.627 56.100 -0.229 0.000 0.959 319 R CB -0.151 30.081 30.300 -0.113 0.000 0.856 319 R HN 0.465 nan 8.270 nan 0.000 0.437 320 E N -0.769 119.356 120.200 -0.126 0.000 2.208 320 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 320 E C 1.756 178.296 176.600 -0.100 0.000 0.988 320 E CA 1.026 57.357 56.400 -0.115 0.000 0.828 320 E CB -0.167 29.483 29.700 -0.084 0.000 0.763 320 E HN 0.554 nan 8.360 nan 0.000 0.478 321 G N 1.190 109.943 108.800 -0.077 0.000 2.464 321 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.214 321 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.214 321 G C 1.806 176.666 174.900 -0.067 0.000 1.218 321 G CA 0.952 46.020 45.100 -0.053 0.000 0.794 321 G HN 0.178 nan 8.290 nan 0.000 0.542 322 V N 1.022 120.880 119.914 -0.094 0.000 2.317 322 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 322 V C 2.932 178.953 176.094 -0.123 0.000 1.065 322 V CA 2.319 64.553 62.300 -0.109 0.000 1.049 322 V CB -0.547 31.157 31.823 -0.198 0.000 0.651 322 V HN 0.325 nan 8.190 nan 0.000 0.450 323 R N -0.752 119.650 120.500 -0.163 0.000 2.148 323 R HA -0.048 4.292 4.340 -0.000 0.000 0.223 323 R C 2.536 178.802 176.300 -0.057 0.000 1.088 323 R CA 0.899 56.925 56.100 -0.123 0.000 0.985 323 R CB -0.303 29.904 30.300 -0.155 0.000 0.880 323 R HN 0.418 nan 8.270 nan 0.000 0.451 324 R N 0.758 121.220 120.500 -0.064 0.000 2.092 324 R HA -0.050 4.289 4.340 -0.000 0.000 0.231 324 R C 1.977 178.281 176.300 0.006 0.000 1.119 324 R CA 1.117 57.189 56.100 -0.046 0.000 0.970 324 R CB -0.043 30.223 30.300 -0.058 0.000 0.864 324 R HN 0.202 nan 8.270 nan 0.000 0.440 325 L N 0.208 121.431 121.223 -0.001 0.000 2.179 325 L HA -0.069 4.270 4.340 -0.000 0.000 0.208 325 L C 2.054 178.940 176.870 0.026 0.000 1.096 325 L CA 0.622 55.471 54.840 0.015 0.000 0.779 325 L CB -0.072 41.988 42.059 0.001 0.000 0.922 325 L HN 0.210 nan 8.230 nan 0.000 0.443 326 L N -1.681 119.550 121.223 0.013 0.000 2.376 326 L HA -0.201 4.139 4.340 -0.000 0.000 0.219 326 L C 2.404 179.285 176.870 0.019 0.000 1.133 326 L CA 0.598 55.437 54.840 -0.002 0.000 0.816 326 L CB -0.542 41.498 42.059 -0.033 0.000 0.933 326 L HN 0.222 nan 8.230 nan 0.000 0.449 327 Y N 1.421 121.685 120.300 -0.061 0.000 2.256 327 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 327 Y C 2.361 178.234 175.900 -0.045 0.000 1.155 327 Y CA 1.573 59.640 58.100 -0.055 0.000 1.203 327 Y CB -0.044 38.384 38.460 -0.054 0.000 0.980 327 Y HN 0.046 nan 8.280 nan 0.000 0.530 328 R N -0.496 120.010 120.500 0.010 0.000 2.317 328 R HA 0.138 4.478 4.340 -0.000 0.000 0.208 328 R C -0.245 176.014 176.300 -0.068 0.000 0.914 328 R CA -0.189 55.883 56.100 -0.048 0.000 1.060 328 R CB 0.050 30.368 30.300 0.030 0.000 1.015 328 R HN 0.134 nan 8.270 nan 0.000 0.498 329 L N 1.667 122.850 121.223 -0.066 0.000 2.361 329 L HA 0.259 4.599 4.340 -0.000 0.000 0.278 329 L C 0.069 176.892 176.870 -0.079 0.000 1.113 329 L CA -0.044 54.761 54.840 -0.058 0.000 0.849 329 L CB 0.685 42.717 42.059 -0.044 0.000 1.155 329 L HN 0.032 nan 8.230 nan 0.000 0.452 330 A N 3.452 126.233 122.820 -0.065 0.000 2.272 330 A HA 0.171 4.491 4.320 -0.000 0.000 0.275 330 A C 0.143 177.692 177.584 -0.058 0.000 1.096 330 A CA -0.532 51.465 52.037 -0.067 0.000 0.822 330 A CB 0.125 19.093 19.000 -0.053 0.000 1.088 330 A HN 0.724 nan 8.150 nan 0.000 0.495 331 D N 0.802 121.167 120.400 -0.058 0.000 2.540 331 D HA 0.114 4.754 4.640 -0.000 0.000 0.237 331 D C 0.894 177.171 176.300 -0.039 0.000 1.181 331 D CA 0.002 53.971 54.000 -0.053 0.000 1.119 331 D CB -0.201 40.566 40.800 -0.055 0.000 1.119 331 D HN 0.342 nan 8.370 nan 0.000 0.498 332 L N 2.347 123.550 121.223 -0.034 0.000 2.042 332 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 332 L C 2.347 179.206 176.870 -0.018 0.000 1.076 332 L CA 1.455 56.282 54.840 -0.022 0.000 0.749 332 L CB -0.574 41.475 42.059 -0.017 0.000 0.893 332 L HN 0.427 nan 8.230 nan 0.000 0.432 333 E N -0.374 119.813 120.200 -0.023 0.000 2.085 333 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 333 E C 2.368 178.958 176.600 -0.018 0.000 0.994 333 E CA 1.361 57.750 56.400 -0.018 0.000 0.801 333 E CB 0.033 29.718 29.700 -0.026 0.000 0.743 333 E HN 0.402 nan 8.360 nan 0.000 0.453 334 R N -0.078 120.407 120.500 -0.026 0.000 2.093 334 R HA 0.011 4.351 4.340 -0.000 0.000 0.224 334 R C 2.489 178.780 176.300 -0.014 0.000 1.101 334 R CA 0.534 56.620 56.100 -0.024 0.000 0.979 334 R CB -0.184 30.096 30.300 -0.034 0.000 0.877 334 R HN 0.262 nan 8.270 nan 0.000 0.441 335 L N 0.701 121.915 121.223 -0.015 0.000 2.046 335 L HA -0.119 4.220 4.340 -0.000 0.000 0.208 335 L C 2.165 179.033 176.870 -0.003 0.000 1.077 335 L CA 1.931 56.766 54.840 -0.007 0.000 0.747 335 L CB -0.931 41.123 42.059 -0.009 0.000 0.896 335 L HN 0.188 nan 8.230 nan 0.000 0.432 336 A N -1.329 121.488 122.820 -0.005 0.000 1.972 336 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 336 A C 2.200 179.785 177.584 0.001 0.000 1.169 336 A CA 2.112 54.148 52.037 -0.001 0.000 0.635 336 A CB -0.682 18.319 19.000 0.001 0.000 0.810 336 A HN 0.481 nan 8.150 nan 0.000 0.446 337 T N -0.685 113.869 114.554 0.000 0.000 2.851 337 T HA -0.053 4.297 4.350 -0.000 0.000 0.262 337 T C 2.053 176.755 174.700 0.002 0.000 1.043 337 T CA 1.211 63.312 62.100 0.002 0.000 1.140 337 T CB -0.169 68.699 68.868 0.001 0.000 0.872 337 T HN 0.507 nan 8.240 nan 0.000 0.446 338 R N 0.533 121.036 120.500 0.003 0.000 2.096 338 R HA 0.054 4.394 4.340 -0.000 0.000 0.235 338 R C 2.364 178.670 176.300 0.010 0.000 1.127 338 R CA 0.925 57.031 56.100 0.010 0.000 0.968 338 R CB -0.505 29.803 30.300 0.014 0.000 0.861 338 R HN 0.341 nan 8.270 nan 0.000 0.440 339 L N 0.731 121.956 121.223 0.004 0.000 1.976 339 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 339 L C 2.207 179.073 176.870 -0.008 0.000 1.071 339 L CA 1.560 56.398 54.840 -0.004 0.000 0.746 339 L CB -0.404 41.650 42.059 -0.009 0.000 0.890 339 L HN 0.224 nan 8.230 nan 0.000 0.432 340 E N 0.004 120.202 120.200 -0.005 0.000 2.171 340 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 340 E C 1.942 178.539 176.600 -0.005 0.000 0.997 340 E CA 1.023 57.420 56.400 -0.004 0.000 0.810 340 E CB -0.150 29.550 29.700 -0.000 0.000 0.738 340 E HN 0.495 nan 8.360 nan 0.000 0.467 341 L N 0.012 121.234 121.223 -0.002 0.000 2.612 341 L HA 0.149 4.489 4.340 -0.000 0.000 0.230 341 L C 1.021 177.892 176.870 0.002 0.000 1.140 341 L CA 0.011 54.851 54.840 -0.000 0.000 0.896 341 L CB -0.136 41.925 42.059 0.003 0.000 1.065 341 L HN 0.175 nan 8.230 nan 0.000 0.447 342 G N 1.248 110.047 108.800 -0.001 0.000 2.366 342 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.299 342 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.299 342 G C 0.843 175.754 174.900 0.019 0.000 1.020 342 G CA 0.361 45.461 45.100 0.000 0.000 1.026 342 G HN 0.506 nan 8.290 nan 0.000 0.512 343 R N -0.508 120.009 120.500 0.028 0.000 2.469 343 R HA 0.418 4.758 4.340 -0.000 0.000 0.250 343 R C 1.489 177.829 176.300 0.067 0.000 0.909 343 R CA 0.261 56.388 56.100 0.045 0.000 1.050 343 R CB 0.546 30.867 30.300 0.036 0.000 1.256 343 R HN 0.689 nan 8.270 nan 0.000 0.550 344 A N 2.300 125.158 122.820 0.063 0.000 2.580 344 A HA 0.086 4.406 4.320 -0.000 0.000 0.244 344 A C 0.668 178.366 177.584 0.189 0.000 1.045 344 A CA 0.367 52.457 52.037 0.090 0.000 0.761 344 A CB 0.067 19.101 19.000 0.057 0.000 0.962 344 A HN 0.347 nan 8.150 nan 0.000 0.512 345 S N 2.941 118.739 115.700 0.163 0.000 2.745 345 S HA 0.672 5.142 4.470 -0.000 0.000 0.292 345 S C -1.802 172.902 174.600 0.173 0.000 1.133 345 S CA -0.943 57.351 58.200 0.158 0.000 0.998 345 S CB 1.228 64.455 63.200 0.045 0.000 1.087 345 S HN 0.489 nan 8.310 nan 0.000 0.551 346 P HA 0.007 nan 4.420 nan 0.000 0.221 346 P C 1.034 178.335 177.300 0.001 0.000 1.150 346 P CA 0.883 63.948 63.100 -0.059 0.000 0.800 346 P CB 0.075 31.540 31.700 -0.391 0.000 0.787 347 K N 0.626 121.013 120.400 -0.021 0.000 2.026 347 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 347 K C 1.908 178.513 176.600 0.009 0.000 1.048 347 K CA 1.687 57.965 56.287 -0.014 0.000 0.929 347 K CB -0.719 31.770 32.500 -0.019 0.000 0.713 347 K HN -0.073 nan 8.250 nan 0.000 0.439 348 D N 0.313 120.731 120.400 0.031 0.000 2.092 348 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 348 D C 1.953 178.275 176.300 0.037 0.000 0.994 348 D CA 1.305 55.324 54.000 0.033 0.000 0.828 348 D CB -0.150 40.679 40.800 0.048 0.000 0.963 348 D HN 0.209 nan 8.370 nan 0.000 0.450 349 L N 0.677 121.945 121.223 0.074 0.000 2.042 349 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 349 L C 2.655 179.545 176.870 0.033 0.000 1.076 349 L CA 1.391 56.271 54.840 0.066 0.000 0.749 349 L CB -0.843 41.296 42.059 0.133 0.000 0.893 349 L HN 0.090 nan 8.230 nan 0.000 0.432 350 G N -0.337 108.478 108.800 0.026 0.000 2.440 350 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 350 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 350 G C 1.785 176.682 174.900 -0.005 0.000 1.154 350 G CA 0.879 45.981 45.100 0.003 0.000 0.767 350 G HN 0.476 nan 8.290 nan 0.000 0.552 351 A N 0.606 123.422 122.820 -0.006 0.000 1.883 351 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 351 A C 2.380 179.956 177.584 -0.014 0.000 1.186 351 A CA 1.826 53.854 52.037 -0.016 0.000 0.624 351 A CB -0.580 18.409 19.000 -0.019 0.000 0.822 351 A HN 0.534 nan 8.150 nan 0.000 0.444 352 L N 0.062 121.281 121.223 -0.006 0.000 2.042 352 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 352 L C 2.435 179.300 176.870 -0.008 0.000 1.076 352 L CA 2.606 57.442 54.840 -0.007 0.000 0.749 352 L CB -0.674 41.385 42.059 -0.001 0.000 0.893 352 L HN 0.489 nan 8.230 nan 0.000 0.432 353 R N -0.640 119.856 120.500 -0.008 0.000 2.105 353 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 353 R C 2.559 178.853 176.300 -0.011 0.000 1.135 353 R CA 1.758 57.852 56.100 -0.011 0.000 0.967 353 R CB -0.249 30.042 30.300 -0.015 0.000 0.861 353 R HN 0.460 nan 8.270 nan 0.000 0.442 354 R N -0.175 120.318 120.500 -0.012 0.000 2.057 354 R HA -0.040 4.299 4.340 -0.000 0.000 0.229 354 R C 2.158 178.452 176.300 -0.011 0.000 1.136 354 R CA 1.888 57.981 56.100 -0.011 0.000 0.952 354 R CB -0.194 30.097 30.300 -0.015 0.000 0.848 354 R HN 0.127 nan 8.270 nan 0.000 0.430 355 S N 1.266 116.957 115.700 -0.015 0.000 2.365 355 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 355 S C 1.851 176.447 174.600 -0.008 0.000 1.039 355 S CA 1.431 59.623 58.200 -0.015 0.000 1.033 355 S CB -0.317 62.871 63.200 -0.020 0.000 0.887 355 S HN 0.324 nan 8.310 nan 0.000 0.447 356 L N 1.191 122.411 121.223 -0.006 0.000 2.265 356 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 356 L C 2.413 179.283 176.870 -0.000 0.000 1.117 356 L CA 1.061 55.900 54.840 -0.002 0.000 0.782 356 L CB -0.504 41.553 42.059 -0.003 0.000 0.914 356 L HN 0.445 nan 8.230 nan 0.000 0.441 357 Q N -0.551 119.248 119.800 -0.001 0.000 2.389 357 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 357 Q C 2.145 178.147 176.000 0.003 0.000 0.944 357 Q CA 0.731 56.535 55.803 0.001 0.000 0.908 357 Q CB 0.288 29.026 28.738 -0.001 0.000 1.002 357 Q HN 0.579 nan 8.270 nan 0.000 0.493 358 I N -0.109 120.463 120.570 0.003 0.000 2.584 358 I HA -0.205 3.965 4.170 -0.000 0.000 0.255 358 I C 1.614 177.737 176.117 0.009 0.000 1.145 358 I CA 0.282 61.586 61.300 0.006 0.000 1.462 358 I CB -0.015 37.988 38.000 0.004 0.000 1.102 358 I HN 0.156 nan 8.210 nan 0.000 0.433 359 L N 1.691 122.919 121.223 0.008 0.000 1.997 359 L HA -0.239 4.101 4.340 -0.000 0.000 0.227 359 L C -0.219 176.661 176.870 0.016 0.000 1.087 359 L CA 2.734 57.582 54.840 0.013 0.000 0.797 359 L CB -2.123 39.944 42.059 0.012 0.000 0.902 359 L HN 0.190 nan 8.230 nan 0.000 0.441 360 P HA -0.206 nan 4.420 nan 0.000 0.217 360 P C 1.112 178.421 177.300 0.016 0.000 1.148 360 P CA 1.748 64.857 63.100 0.015 0.000 0.828 360 P CB -0.063 31.645 31.700 0.012 0.000 0.783 361 E N -0.053 120.156 120.200 0.014 0.000 2.072 361 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 361 E C 2.408 179.020 176.600 0.020 0.000 0.982 361 E CA 0.654 57.063 56.400 0.014 0.000 0.803 361 E CB -0.578 29.128 29.700 0.010 0.000 0.755 361 E HN 0.261 nan 8.360 nan 0.000 0.453 362 L N 0.655 121.892 121.223 0.023 0.000 2.046 362 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 362 L C 2.719 179.613 176.870 0.041 0.000 1.077 362 L CA 1.079 55.939 54.840 0.033 0.000 0.747 362 L CB -0.283 41.796 42.059 0.033 0.000 0.896 362 L HN 0.052 nan 8.230 nan 0.000 0.432 363 R N -0.264 120.256 120.500 0.033 0.000 2.094 363 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 363 R C 2.378 178.697 176.300 0.032 0.000 1.137 363 R CA 1.810 57.930 56.100 0.033 0.000 0.943 363 R CB -0.452 29.864 30.300 0.026 0.000 0.850 363 R HN 0.402 nan 8.270 nan 0.000 0.433 364 A N 0.648 123.484 122.820 0.027 0.000 1.845 364 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 364 A C 2.182 179.784 177.584 0.030 0.000 1.195 364 A CA 1.304 53.355 52.037 0.024 0.000 0.616 364 A CB -0.801 18.211 19.000 0.019 0.000 0.832 364 A HN 0.304 nan 8.150 nan 0.000 0.443 365 L N -0.923 120.321 121.223 0.034 0.000 2.043 365 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 365 L C 2.378 179.285 176.870 0.061 0.000 1.075 365 L CA 1.475 56.342 54.840 0.044 0.000 0.752 365 L CB -0.283 41.803 42.059 0.045 0.000 0.891 365 L HN 0.423 nan 8.230 nan 0.000 0.432 366 L N -1.865 119.398 121.223 0.067 0.000 2.408 366 L HA 0.303 4.643 4.340 -0.000 0.000 0.215 366 L C 0.888 177.785 176.870 0.044 0.000 1.081 366 L CA 0.327 55.211 54.840 0.074 0.000 0.840 366 L CB -0.038 42.081 42.059 0.100 0.000 1.002 366 L HN 0.358 nan 8.230 nan 0.000 0.468 367 G N 0.508 109.330 108.800 0.037 0.000 2.629 367 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 367 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 367 G C -0.118 174.798 174.900 0.027 0.000 1.232 367 G CA -0.497 44.619 45.100 0.026 0.000 0.803 367 G HN 0.053 nan 8.290 nan 0.000 0.638 368 E N -0.524 119.689 120.200 0.022 0.000 2.510 368 E HA 0.008 4.358 4.350 -0.000 0.000 0.202 368 E C 1.944 178.558 176.600 0.023 0.000 1.072 368 E CA 1.429 57.843 56.400 0.022 0.000 0.883 368 E CB 0.077 29.788 29.700 0.018 0.000 0.818 368 E HN 0.600 nan 8.360 nan 0.000 0.548 369 E N -1.226 118.987 120.200 0.022 0.000 2.371 369 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 369 E C 1.467 178.085 176.600 0.030 0.000 1.012 369 E CA 0.442 56.855 56.400 0.021 0.000 0.860 369 E CB 0.268 29.975 29.700 0.012 0.000 0.811 369 E HN 0.137 nan 8.360 nan 0.000 0.502 370 V N 0.327 120.265 119.914 0.039 0.000 2.546 370 V HA -0.205 3.915 4.120 -0.000 0.000 0.254 370 V C 1.824 177.950 176.094 0.053 0.000 1.076 370 V CA 1.559 63.892 62.300 0.055 0.000 1.087 370 V CB -0.967 30.894 31.823 0.064 0.000 0.674 370 V HN 0.618 nan 8.190 nan 0.000 0.470 371 G N -0.537 108.288 108.800 0.042 0.000 2.179 371 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 371 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 371 G C 0.127 175.050 174.900 0.038 0.000 0.977 371 G CA 0.204 45.328 45.100 0.039 0.000 0.641 371 G HN 0.475 nan 8.290 nan 0.000 0.533 372 L N 1.448 122.695 121.223 0.039 0.000 2.578 372 L HA 0.186 4.526 4.340 -0.000 0.000 0.279 372 L C -1.305 175.582 176.870 0.028 0.000 1.227 372 L CA -1.123 53.737 54.840 0.034 0.000 0.900 372 L CB 0.247 42.326 42.059 0.033 0.000 1.144 372 L HN 0.008 nan 8.230 nan 0.000 0.496 373 P HA -0.001 nan 4.420 nan 0.000 0.271 373 P C -0.833 176.478 177.300 0.018 0.000 1.218 373 P CA -0.275 62.837 63.100 0.021 0.000 0.780 373 P CB 0.470 32.182 31.700 0.020 0.000 0.901 374 D N 2.405 122.815 120.400 0.017 0.000 2.468 374 D HA 0.095 4.735 4.640 -0.000 0.000 0.218 374 D C 0.212 176.520 176.300 0.013 0.000 1.155 374 D CA 0.057 54.066 54.000 0.015 0.000 0.924 374 D CB -0.362 40.447 40.800 0.015 0.000 1.029 374 D HN 0.203 nan 8.370 nan 0.000 0.515 375 L N 2.315 123.545 121.223 0.012 0.000 2.653 375 L HA 0.045 4.385 4.340 -0.000 0.000 0.231 375 L C 2.316 179.191 176.870 0.009 0.000 1.153 375 L CA -0.057 54.789 54.840 0.009 0.000 0.933 375 L CB -0.229 41.835 42.059 0.007 0.000 1.175 375 L HN 0.288 nan 8.230 nan 0.000 0.473 376 S N 0.647 116.353 115.700 0.010 0.000 2.389 376 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 376 S C -0.198 174.408 174.600 0.010 0.000 1.052 376 S CA 1.412 59.618 58.200 0.010 0.000 1.053 376 S CB -1.824 61.382 63.200 0.011 0.000 0.886 376 S HN 0.328 nan 8.310 nan 0.000 0.456 377 P HA -0.134 nan 4.420 nan 0.000 0.213 377 P C 1.970 179.278 177.300 0.013 0.000 1.170 377 P CA 1.011 64.120 63.100 0.015 0.000 0.898 377 P CB -0.293 31.416 31.700 0.015 0.000 0.787 378 L N 0.157 121.385 121.223 0.009 0.000 1.971 378 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 378 L C 2.889 179.758 176.870 -0.001 0.000 1.072 378 L CA 2.318 57.160 54.840 0.004 0.000 0.758 378 L CB -0.781 41.278 42.059 0.001 0.000 0.889 378 L HN -0.016 nan 8.230 nan 0.000 0.433 379 K N 0.037 120.436 120.400 -0.001 0.000 2.077 379 K HA -0.288 4.032 4.320 -0.000 0.000 0.213 379 K C 1.747 178.342 176.600 -0.008 0.000 1.051 379 K CA 2.407 58.691 56.287 -0.005 0.000 0.929 379 K CB -0.167 32.333 32.500 -0.001 0.000 0.715 379 K HN 0.520 nan 8.250 nan 0.000 0.451 380 E N 0.248 120.448 120.200 -0.000 0.000 2.031 380 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 380 E C 2.139 178.736 176.600 -0.006 0.000 0.994 380 E CA 1.295 57.696 56.400 0.002 0.000 0.800 380 E CB -0.122 29.587 29.700 0.014 0.000 0.752 380 E HN 0.424 nan 8.360 nan 0.000 0.447 381 E N 0.758 120.960 120.200 0.004 0.000 2.160 381 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 381 E C 2.105 178.644 176.600 -0.101 0.000 0.991 381 E CA 0.624 57.024 56.400 -0.000 0.000 0.810 381 E CB 0.021 29.750 29.700 0.048 0.000 0.742 381 E HN 0.222 nan 8.360 nan 0.000 0.466 382 L N 0.404 121.583 121.223 -0.074 0.000 2.027 382 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 382 L C 2.280 179.084 176.870 -0.111 0.000 1.074 382 L CA 1.375 56.159 54.840 -0.094 0.000 0.745 382 L CB -0.396 41.635 42.059 -0.047 0.000 0.898 382 L HN 0.127 nan 8.230 nan 0.000 0.433 383 E N 0.305 120.462 120.200 -0.072 0.000 2.204 383 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 383 E C 1.972 178.522 176.600 -0.084 0.000 0.990 383 E CA 1.073 57.438 56.400 -0.059 0.000 0.821 383 E CB -0.146 29.536 29.700 -0.029 0.000 0.750 383 E HN 0.495 nan 8.360 nan 0.000 0.477 384 A N 0.379 123.129 122.820 -0.118 0.000 2.251 384 A HA 0.365 4.685 4.320 -0.000 0.000 0.209 384 A C 1.906 179.241 177.584 -0.416 0.000 1.187 384 A CA 0.815 52.775 52.037 -0.128 0.000 0.823 384 A CB 0.164 19.169 19.000 0.008 0.000 0.846 384 A HN 0.247 nan 8.150 nan 0.000 0.486 385 A N -0.793 121.688 122.820 -0.565 0.000 2.026 385 A HA 0.542 4.862 4.320 -0.000 0.000 0.198 385 A C 0.649 178.055 177.584 -0.296 0.000 1.390 385 A CA 0.008 51.562 52.037 -0.805 0.000 0.915 385 A CB 0.031 18.458 19.000 -0.955 0.000 0.974 385 A HN 0.320 nan 8.150 nan 0.000 0.477 386 L N 1.426 122.541 121.223 -0.180 0.000 2.379 386 L HA 0.458 4.797 4.340 -0.000 0.000 0.269 386 L C 0.303 177.139 176.870 -0.057 0.000 1.084 386 L CA -1.118 53.674 54.840 -0.079 0.000 0.802 386 L CB 1.504 43.536 42.059 -0.046 0.000 1.175 386 L HN 0.238 nan 8.230 nan 0.000 0.448 387 V N -0.990 118.903 119.914 -0.036 0.000 2.924 387 V HA 0.076 4.196 4.120 -0.000 0.000 0.305 387 V C 1.170 177.249 176.094 -0.024 0.000 1.073 387 V CA -0.325 61.959 62.300 -0.026 0.000 1.098 387 V CB 0.817 32.627 31.823 -0.022 0.000 1.000 387 V HN 0.948 nan 8.190 nan 0.000 0.484 388 E N 0.874 121.063 120.200 -0.018 0.000 2.273 388 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 388 E C -0.143 176.447 176.600 -0.016 0.000 1.002 388 E CA 1.546 57.937 56.400 -0.015 0.000 0.828 388 E CB 0.175 29.869 29.700 -0.010 0.000 0.747 388 E HN 0.931 nan 8.360 nan 0.000 0.491 389 D N 0.593 120.981 120.400 -0.019 0.000 2.405 389 D HA 0.198 4.837 4.640 -0.000 0.000 0.264 389 D C -2.568 173.715 176.300 -0.028 0.000 1.240 389 D CA -1.433 52.554 54.000 -0.021 0.000 0.893 389 D CB 1.314 42.104 40.800 -0.018 0.000 1.198 389 D HN -0.008 nan 8.370 nan 0.000 0.514 390 P HA 0.071 nan 4.420 nan 0.000 0.260 390 P C -2.232 175.033 177.300 -0.058 0.000 1.185 390 P CA -0.390 62.683 63.100 -0.045 0.000 0.763 390 P CB 0.185 31.863 31.700 -0.037 0.000 0.776 391 P HA 0.035 nan 4.420 nan 0.000 0.275 391 P C 0.779 178.020 177.300 -0.098 0.000 1.270 391 P CA -0.473 62.580 63.100 -0.078 0.000 0.791 391 P CB 0.416 32.066 31.700 -0.083 0.000 1.089 392 L N 0.005 121.177 121.223 -0.086 0.000 1.993 392 L HA 0.055 4.395 4.340 -0.000 0.000 0.206 392 L C 0.372 177.168 176.870 -0.124 0.000 1.074 392 L CA 1.936 56.725 54.840 -0.085 0.000 0.746 392 L CB -0.672 41.353 42.059 -0.058 0.000 0.896 392 L HN 0.183 nan 8.230 nan 0.000 0.435 393 K N -1.366 118.960 120.400 -0.123 0.000 2.208 393 K HA 0.257 4.577 4.320 -0.000 0.000 0.247 393 K C 0.623 177.112 176.600 -0.185 0.000 0.953 393 K CA -0.107 56.091 56.287 -0.150 0.000 0.837 393 K CB 2.486 34.928 32.500 -0.097 0.000 1.131 393 K HN -0.032 nan 8.250 nan 0.000 0.431 394 V N 1.684 121.459 119.914 -0.231 0.000 2.244 394 V HA -0.260 3.860 4.120 -0.000 0.000 0.244 394 V C 2.170 178.196 176.094 -0.112 0.000 1.042 394 V CA 2.712 64.882 62.300 -0.217 0.000 1.006 394 V CB -0.335 31.356 31.823 -0.221 0.000 0.641 394 V HN 1.032 nan 8.190 nan 0.000 0.446 395 S N 0.632 116.284 115.700 -0.080 0.000 2.441 395 S HA -0.252 4.218 4.470 -0.000 0.000 0.242 395 S C 1.208 175.774 174.600 -0.056 0.000 1.018 395 S CA 1.567 59.734 58.200 -0.055 0.000 0.988 395 S CB -0.750 62.422 63.200 -0.047 0.000 0.778 395 S HN 0.950 nan 8.310 nan 0.000 0.498 396 E N 1.626 121.786 120.200 -0.066 0.000 4.495 396 E HA 0.500 4.850 4.350 -0.000 0.000 0.377 396 E C 1.250 177.817 176.600 -0.055 0.000 1.395 396 E CA -0.459 55.908 56.400 -0.055 0.000 2.229 396 E CB -0.823 28.844 29.700 -0.055 0.000 1.608 396 E HN 0.238 nan 8.360 nan 0.000 0.797 397 G N -0.801 107.970 108.800 -0.047 0.000 2.641 397 G HA2 0.143 4.103 3.960 -0.000 0.000 0.310 397 G HA3 0.143 4.103 3.960 -0.000 0.000 0.310 397 G C 0.391 175.263 174.900 -0.047 0.000 1.291 397 G CA -0.206 44.869 45.100 -0.042 0.000 1.133 397 G HN 0.591 nan 8.290 nan 0.000 0.660 398 G N -1.291 107.488 108.800 -0.035 0.000 2.343 398 G HA2 0.372 4.332 3.960 -0.000 0.000 0.254 398 G HA3 0.372 4.332 3.960 -0.000 0.000 0.254 398 G C 0.636 175.515 174.900 -0.035 0.000 1.277 398 G CA -0.235 44.848 45.100 -0.028 0.000 0.909 398 G HN 0.521 nan 8.290 nan 0.000 0.502 399 L N 3.079 124.282 121.223 -0.034 0.000 2.519 399 L HA 0.377 4.717 4.340 -0.000 0.000 0.194 399 L C 0.545 177.409 176.870 -0.010 0.000 1.072 399 L CA -0.137 54.676 54.840 -0.044 0.000 0.845 399 L CB 0.215 42.222 42.059 -0.086 0.000 1.138 399 L HN 0.284 nan 8.230 nan 0.000 0.487 400 I N 1.898 122.481 120.570 0.021 0.000 2.474 400 I HA 0.140 4.310 4.170 -0.000 0.000 0.287 400 I C 0.466 176.604 176.117 0.034 0.000 1.048 400 I CA 0.058 61.382 61.300 0.040 0.000 1.383 400 I CB 0.867 38.933 38.000 0.111 0.000 1.412 400 I HN 0.255 nan 8.210 nan 0.000 0.531 401 R N 3.434 123.943 120.500 0.015 0.000 2.543 401 R HA 0.110 4.450 4.340 -0.000 0.000 0.277 401 R C 0.131 176.478 176.300 0.078 0.000 1.074 401 R CA -0.474 55.644 56.100 0.029 0.000 1.076 401 R CB 0.665 30.966 30.300 0.003 0.000 0.993 401 R HN 0.554 nan 8.270 nan 0.000 0.459 402 E N 0.251 120.487 120.200 0.060 0.000 2.366 402 E HA 0.077 4.427 4.350 -0.000 0.000 0.266 402 E C 0.486 177.134 176.600 0.080 0.000 1.015 402 E CA 0.861 57.301 56.400 0.067 0.000 0.906 402 E CB 0.379 30.107 29.700 0.047 0.000 0.979 402 E HN 0.808 nan 8.360 nan 0.000 0.443 403 G N 3.569 112.422 108.800 0.090 0.000 2.168 403 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.197 403 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.197 403 G C 0.112 175.089 174.900 0.128 0.000 0.997 403 G CA 0.193 45.343 45.100 0.084 0.000 0.658 403 G HN 0.650 nan 8.290 nan 0.000 0.513 404 Y N 0.943 121.251 120.300 0.014 0.000 2.498 404 Y HA 0.511 5.061 4.550 -0.000 0.000 0.259 404 Y C 0.412 176.320 175.900 0.014 0.000 1.086 404 Y CA 0.586 58.695 58.100 0.015 0.000 1.287 404 Y CB 0.955 39.426 38.460 0.018 0.000 1.146 404 Y HN 0.147 nan 8.280 nan 0.000 0.523 405 D N 0.936 121.326 120.400 -0.017 0.000 2.505 405 D HA 0.248 4.888 4.640 -0.000 0.000 0.250 405 D C -1.910 174.366 176.300 -0.040 0.000 1.164 405 D CA -2.617 51.335 54.000 -0.079 0.000 0.870 405 D CB 1.858 42.668 40.800 0.016 0.000 1.160 405 D HN -0.036 nan 8.370 nan 0.000 0.549 406 P HA -0.188 nan 4.420 nan 0.000 0.215 406 P C 1.024 178.314 177.300 -0.015 0.000 1.157 406 P CA 0.923 64.002 63.100 -0.035 0.000 0.874 406 P CB 0.435 32.108 31.700 -0.045 0.000 0.790 407 D N -0.382 120.008 120.400 -0.017 0.000 2.182 407 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 407 D C 1.792 178.097 176.300 0.009 0.000 0.986 407 D CA 0.802 54.800 54.000 -0.004 0.000 0.847 407 D CB -0.276 40.521 40.800 -0.005 0.000 0.942 407 D HN 0.069 nan 8.370 nan 0.000 0.467 408 L N 0.135 121.367 121.223 0.015 0.000 2.416 408 L HA 0.095 4.435 4.340 -0.000 0.000 0.216 408 L C 1.425 178.314 176.870 0.031 0.000 1.098 408 L CA 0.981 55.838 54.840 0.029 0.000 0.840 408 L CB 0.027 42.113 42.059 0.045 0.000 0.981 408 L HN -0.217 nan 8.230 nan 0.000 0.462 409 D N 0.030 120.446 120.400 0.027 0.000 2.194 409 D HA -0.017 4.623 4.640 -0.000 0.000 0.204 409 D C 2.041 178.357 176.300 0.027 0.000 0.964 409 D CA 1.182 55.200 54.000 0.030 0.000 0.846 409 D CB 0.298 41.113 40.800 0.025 0.000 0.962 409 D HN 0.469 nan 8.370 nan 0.000 0.490 410 A N 0.568 123.401 122.820 0.021 0.000 2.014 410 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 410 A C 2.305 179.907 177.584 0.030 0.000 1.163 410 A CA 0.482 52.531 52.037 0.020 0.000 0.652 410 A CB -0.396 18.611 19.000 0.012 0.000 0.808 410 A HN 0.143 nan 8.150 nan 0.000 0.449 411 L N -1.246 119.997 121.223 0.033 0.000 2.044 411 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 411 L C 2.757 179.668 176.870 0.070 0.000 1.075 411 L CA 1.076 55.942 54.840 0.044 0.000 0.747 411 L CB -0.435 41.643 42.059 0.031 0.000 0.903 411 L HN 0.299 nan 8.230 nan 0.000 0.435 412 R N -0.136 120.400 120.500 0.060 0.000 2.189 412 R HA -0.101 4.239 4.340 -0.000 0.000 0.223 412 R C 2.272 178.629 176.300 0.095 0.000 1.092 412 R CA 0.966 57.116 56.100 0.083 0.000 0.989 412 R CB -0.299 30.035 30.300 0.057 0.000 0.876 412 R HN 0.363 nan 8.270 nan 0.000 0.457 413 A N 1.393 124.250 122.820 0.063 0.000 1.835 413 A HA -0.115 4.204 4.320 -0.000 0.000 0.215 413 A C 2.382 179.992 177.584 0.043 0.000 1.199 413 A CA 1.641 53.705 52.037 0.044 0.000 0.615 413 A CB -0.880 18.137 19.000 0.027 0.000 0.838 413 A HN 0.352 nan 8.150 nan 0.000 0.444 414 A N -1.250 121.596 122.820 0.043 0.000 1.948 414 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 414 A C 2.036 179.640 177.584 0.033 0.000 1.177 414 A CA 2.405 54.458 52.037 0.026 0.000 0.636 414 A CB -0.921 18.097 19.000 0.029 0.000 0.815 414 A HN 0.800 nan 8.150 nan 0.000 0.449 415 H N -0.560 118.510 119.070 0.000 0.000 2.389 415 H HA 0.015 4.571 4.556 -0.000 0.000 0.299 415 H C 2.278 177.611 175.328 0.009 0.000 1.081 415 H CA 1.809 57.861 56.048 0.007 0.000 1.345 415 H CB -0.039 29.736 29.762 0.021 0.000 1.393 415 H HN 0.462 nan 8.280 nan 0.000 0.520 416 R N 0.021 120.542 120.500 0.034 0.000 2.073 416 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 416 R C 2.188 178.452 176.300 -0.062 0.000 1.134 416 R CA 1.647 57.742 56.100 -0.008 0.000 0.952 416 R CB -0.084 30.235 30.300 0.033 0.000 0.850 416 R HN 0.329 nan 8.270 nan 0.000 0.433 417 E N -0.194 119.975 120.200 -0.051 0.000 2.051 417 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 417 E C 2.014 178.556 176.600 -0.097 0.000 0.991 417 E CA 1.487 57.852 56.400 -0.058 0.000 0.799 417 E CB -0.576 29.096 29.700 -0.045 0.000 0.748 417 E HN 0.466 nan 8.360 nan 0.000 0.449 418 G N 0.048 108.757 108.800 -0.151 0.000 2.469 418 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 418 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 418 G C 1.673 176.435 174.900 -0.230 0.000 1.136 418 G CA 1.183 46.144 45.100 -0.231 0.000 0.759 418 G HN 0.219 nan 8.290 nan 0.000 0.562 419 V N 1.273 121.056 119.914 -0.218 0.000 2.407 419 V HA -0.009 4.111 4.120 -0.000 0.000 0.245 419 V C 3.282 179.385 176.094 0.014 0.000 1.041 419 V CA 1.672 63.924 62.300 -0.079 0.000 1.040 419 V CB -0.822 30.929 31.823 -0.120 0.000 0.671 419 V HN 0.452 nan 8.190 nan 0.000 0.455 420 A N -0.446 122.355 122.820 -0.032 0.000 1.986 420 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 420 A C 2.088 179.641 177.584 -0.052 0.000 1.171 420 A CA 2.294 54.316 52.037 -0.025 0.000 0.640 420 A CB -0.859 18.119 19.000 -0.037 0.000 0.811 420 A HN 0.685 nan 8.150 nan 0.000 0.451 421 Y N -0.202 119.956 120.300 -0.237 0.000 1.977 421 Y HA -0.359 4.191 4.550 -0.000 0.000 0.264 421 Y C 1.978 177.683 175.900 -0.325 0.000 1.167 421 Y CA 2.527 60.409 58.100 -0.363 0.000 1.102 421 Y CB -0.852 37.223 38.460 -0.641 0.000 0.948 421 Y HN 0.291 nan 8.280 nan 0.000 0.489 422 F N -0.623 119.352 119.950 0.041 0.000 2.287 422 F HA -0.269 4.258 4.527 -0.000 0.000 0.301 422 F C 2.155 177.885 175.800 -0.116 0.000 1.069 422 F CA 0.990 58.955 58.000 -0.059 0.000 1.372 422 F CB -0.558 38.397 39.000 -0.075 0.000 1.056 422 F HN 0.239 nan 8.300 nan 0.000 0.523 423 L N 0.312 121.565 121.223 0.051 0.000 2.068 423 L HA -0.103 4.237 4.340 -0.000 0.000 0.204 423 L C 2.106 178.936 176.870 -0.067 0.000 1.076 423 L CA 1.702 56.548 54.840 0.010 0.000 0.753 423 L CB -0.880 41.185 42.059 0.010 0.000 0.910 423 L HN 0.058 nan 8.230 nan 0.000 0.439 424 E N -0.644 119.466 120.200 -0.149 0.000 2.023 424 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 424 E C 2.151 178.629 176.600 -0.204 0.000 1.003 424 E CA 1.614 57.904 56.400 -0.183 0.000 0.809 424 E CB -0.429 29.120 29.700 -0.250 0.000 0.755 424 E HN 0.350 nan 8.360 nan 0.000 0.449 425 L N 1.668 122.689 121.223 -0.337 0.000 2.064 425 L HA -0.317 4.023 4.340 -0.000 0.000 0.216 425 L C 2.306 179.118 176.870 -0.097 0.000 1.077 425 L CA 2.093 56.769 54.840 -0.273 0.000 0.766 425 L CB -0.325 41.531 42.059 -0.339 0.000 0.890 425 L HN 0.167 nan 8.230 nan 0.000 0.435 426 E N -0.842 119.330 120.200 -0.047 0.000 2.049 426 E HA -0.322 4.028 4.350 -0.000 0.000 0.198 426 E C 2.083 178.677 176.600 -0.010 0.000 1.007 426 E CA 1.658 58.059 56.400 0.001 0.000 0.809 426 E CB -0.143 29.566 29.700 0.015 0.000 0.749 426 E HN 0.491 nan 8.360 nan 0.000 0.450 427 E N 0.442 120.623 120.200 -0.031 0.000 2.150 427 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 427 E C 1.978 178.560 176.600 -0.030 0.000 0.985 427 E CA 0.935 57.317 56.400 -0.029 0.000 0.814 427 E CB -0.132 29.546 29.700 -0.036 0.000 0.752 427 E HN 0.183 nan 8.360 nan 0.000 0.466 428 R N 0.222 120.695 120.500 -0.046 0.000 2.081 428 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 428 R C 1.652 177.949 176.300 -0.005 0.000 1.131 428 R CA 1.422 57.499 56.100 -0.038 0.000 0.960 428 R CB 0.041 30.300 30.300 -0.068 0.000 0.856 428 R HN 0.070 nan 8.270 nan 0.000 0.436 429 E N 0.347 120.557 120.200 0.016 0.000 2.107 429 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 429 E C 1.995 178.622 176.600 0.045 0.000 0.982 429 E CA 0.786 57.228 56.400 0.069 0.000 0.809 429 E CB -0.128 29.653 29.700 0.135 0.000 0.756 429 E HN 0.332 nan 8.360 nan 0.000 0.459 430 R N 0.594 121.105 120.500 0.018 0.000 2.200 430 R HA -0.146 4.193 4.340 -0.000 0.000 0.234 430 R C 1.952 178.241 176.300 -0.018 0.000 1.127 430 R CA 1.031 57.125 56.100 -0.010 0.000 0.989 430 R CB 0.076 30.365 30.300 -0.019 0.000 0.869 430 R HN 0.044 nan 8.270 nan 0.000 0.459 431 E N 0.638 120.833 120.200 -0.009 0.000 2.065 431 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 431 E C 1.769 178.363 176.600 -0.009 0.000 0.960 431 E CA 0.859 57.252 56.400 -0.011 0.000 0.824 431 E CB 0.092 29.785 29.700 -0.012 0.000 0.793 431 E HN 0.041 nan 8.360 nan 0.000 0.459 432 R N -0.178 120.321 120.500 -0.002 0.000 2.119 432 R HA -0.146 4.194 4.340 -0.000 0.000 0.246 432 R C 2.354 178.642 176.300 -0.019 0.000 1.146 432 R CA 2.043 58.141 56.100 -0.004 0.000 0.962 432 R CB -0.747 29.561 30.300 0.013 0.000 0.863 432 R HN 0.407 nan 8.270 nan 0.000 0.442 433 T N -3.582 110.957 114.554 -0.024 0.000 3.067 433 T HA 0.123 4.473 4.350 -0.000 0.000 0.261 433 T C 1.513 176.192 174.700 -0.035 0.000 1.110 433 T CA 0.712 62.778 62.100 -0.058 0.000 1.113 433 T CB 0.435 69.252 68.868 -0.084 0.000 0.917 433 T HN 0.441 nan 8.240 nan 0.000 0.499 434 G N 1.662 110.448 108.800 -0.024 0.000 2.168 434 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.263 434 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.263 434 G C 0.097 174.979 174.900 -0.031 0.000 0.977 434 G CA 0.272 45.366 45.100 -0.010 0.000 0.659 434 G HN 0.694 nan 8.290 nan 0.000 0.533 435 I N 2.174 122.685 120.570 -0.098 0.000 2.281 435 I HA 0.172 4.342 4.170 -0.000 0.000 0.293 435 I C -0.197 175.759 176.117 -0.269 0.000 1.085 435 I CA -2.059 59.061 61.300 -0.300 0.000 1.257 435 I CB 1.112 38.931 38.000 -0.301 0.000 1.430 435 I HN -0.055 nan 8.210 nan 0.000 0.489 436 P HA -0.212 nan 4.420 nan 0.000 0.215 436 P C 1.378 178.597 177.300 -0.135 0.000 1.153 436 P CA 1.796 64.811 63.100 -0.142 0.000 0.853 436 P CB -0.043 31.608 31.700 -0.081 0.000 0.788 437 T N -3.091 111.335 114.554 -0.213 0.000 3.088 437 T HA 0.022 4.372 4.350 -0.000 0.000 0.259 437 T C 1.088 175.748 174.700 -0.067 0.000 1.122 437 T CA -0.362 61.668 62.100 -0.117 0.000 1.095 437 T CB -1.197 67.610 68.868 -0.102 0.000 0.930 437 T HN 0.005 nan 8.240 nan 0.000 0.508 438 L N 2.162 123.332 121.223 -0.088 0.000 2.771 438 L HA 0.053 4.393 4.340 -0.000 0.000 0.278 438 L C -0.001 176.903 176.870 0.056 0.000 1.175 438 L CA 0.328 55.176 54.840 0.014 0.000 0.973 438 L CB 0.109 42.186 42.059 0.029 0.000 1.286 438 L HN 0.234 nan 8.230 nan 0.000 0.481 439 K N 3.786 124.246 120.400 0.099 0.000 2.106 439 K HA 0.607 4.927 4.320 -0.000 0.000 0.246 439 K C -1.052 175.615 176.600 0.112 0.000 0.987 439 K CA -0.906 55.439 56.287 0.097 0.000 0.904 439 K CB 2.187 34.755 32.500 0.113 0.000 1.071 439 K HN 0.360 nan 8.250 nan 0.000 0.453 440 V N 1.607 121.549 119.914 0.046 0.000 2.409 440 V HA 0.435 4.555 4.120 -0.000 0.000 0.290 440 V C 0.076 176.053 176.094 -0.195 0.000 1.017 440 V CA -0.618 61.672 62.300 -0.016 0.000 0.841 440 V CB 1.308 33.165 31.823 0.056 0.000 1.003 440 V HN 0.979 nan 8.190 nan 0.000 0.426 441 G N 2.986 111.366 108.800 -0.700 0.000 3.013 441 G HA2 0.756 4.716 3.960 -0.000 0.000 0.278 441 G HA3 0.756 4.716 3.960 -0.000 0.000 0.278 441 G C -1.976 172.204 174.900 -1.200 0.000 1.353 441 G CA -0.697 43.826 45.100 -0.961 0.000 1.043 441 G HN 0.576 nan 8.290 nan 0.000 0.523 442 Y N 0.140 119.964 120.300 -0.794 0.000 2.638 442 Y HA 0.555 5.105 4.550 -0.000 0.000 0.335 442 Y C -1.571 174.262 175.900 -0.111 0.000 1.155 442 Y CA -1.029 56.740 58.100 -0.552 0.000 1.046 442 Y CB 2.284 40.244 38.460 -0.833 0.000 1.303 442 Y HN 1.005 nan 8.280 nan 0.000 0.460 443 N N 1.567 119.464 118.700 -1.338 0.000 3.997 443 N HA 0.394 5.134 4.740 -0.000 0.000 0.209 443 N C -0.472 174.560 175.510 -0.796 0.000 1.108 443 N CA -0.283 52.282 53.050 -0.809 0.000 1.020 443 N CB 0.705 39.103 38.487 -0.149 0.000 1.628 443 N HN 0.901 nan 8.380 nan 0.000 0.588 444 A N 0.923 123.463 122.820 -0.465 0.000 1.929 444 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 444 A C 1.732 179.188 177.584 -0.214 0.000 1.211 444 A CA 2.901 54.801 52.037 -0.228 0.000 0.657 444 A CB -1.181 17.755 19.000 -0.107 0.000 0.827 444 A HN 0.750 nan 8.150 nan 0.000 0.462 445 V N -2.548 117.223 119.914 -0.238 0.000 2.343 445 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 445 V C 1.914 177.639 176.094 -0.616 0.000 1.051 445 V CA 2.114 64.145 62.300 -0.447 0.000 1.036 445 V CB -0.898 30.568 31.823 -0.595 0.000 0.654 445 V HN 0.571 nan 8.190 nan 0.000 0.451 446 F N -0.454 119.431 119.950 -0.108 0.000 2.767 446 F HA 0.627 5.154 4.527 -0.000 0.000 0.323 446 F C 1.413 177.216 175.800 0.006 0.000 1.091 446 F CA 0.294 58.268 58.000 -0.043 0.000 1.192 446 F CB 0.039 39.006 39.000 -0.054 0.000 1.056 446 F HN 0.280 nan 8.300 nan 0.000 0.571 447 G N 0.242 109.077 108.800 0.059 0.000 2.642 447 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.231 447 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.231 447 G C -0.659 174.275 174.900 0.056 0.000 1.338 447 G CA -0.946 44.222 45.100 0.113 0.000 0.883 447 G HN 0.096 nan 8.290 nan 0.000 0.570 448 Y N 0.754 121.138 120.300 0.140 0.000 2.610 448 Y HA 0.459 5.009 4.550 -0.000 0.000 0.332 448 Y C 1.004 176.894 175.900 -0.018 0.000 1.201 448 Y CA 1.572 59.570 58.100 -0.170 0.000 1.465 448 Y CB 0.348 38.332 38.460 -0.794 0.000 1.283 448 Y HN 0.828 nan 8.280 nan 0.000 0.563 449 Y N -0.080 120.267 120.300 0.080 0.000 2.625 449 Y HA 0.700 5.250 4.550 -0.000 0.000 0.338 449 Y C -2.051 173.888 175.900 0.066 0.000 1.123 449 Y CA -2.227 55.904 58.100 0.051 0.000 1.046 449 Y CB 0.773 39.213 38.460 -0.033 0.000 1.299 449 Y HN 0.388 nan 8.280 nan 0.000 0.464 450 L N 2.692 124.132 121.223 0.361 0.000 2.282 450 L HA 0.490 4.830 4.340 -0.000 0.000 0.288 450 L C -0.375 176.748 176.870 0.421 0.000 1.033 450 L CA -0.548 54.466 54.840 0.290 0.000 0.807 450 L CB 1.720 43.844 42.059 0.109 0.000 1.209 450 L HN 0.837 nan 8.230 nan 0.000 0.423 451 E N 3.076 123.513 120.200 0.395 0.000 2.183 451 E HA 0.634 4.984 4.350 -0.000 0.000 0.271 451 E C -1.728 175.046 176.600 0.291 0.000 0.919 451 E CA -0.629 55.959 56.400 0.314 0.000 0.781 451 E CB 2.330 32.227 29.700 0.327 0.000 1.140 451 E HN 0.289 nan 8.360 nan 0.000 0.402 452 V N 3.408 123.517 119.914 0.326 0.000 2.733 452 V HA 0.249 4.369 4.120 -0.000 0.000 0.306 452 V C 0.104 176.437 176.094 0.400 0.000 1.084 452 V CA -0.700 61.810 62.300 0.350 0.000 0.905 452 V CB 2.127 34.219 31.823 0.448 0.000 1.010 452 V HN 0.970 nan 8.190 nan 0.000 0.424 453 T N 1.625 116.358 114.554 0.298 0.000 2.726 453 T HA 0.235 4.585 4.350 -0.000 0.000 0.294 453 T C 1.199 175.865 174.700 -0.057 0.000 1.013 453 T CA -0.003 62.216 62.100 0.199 0.000 0.996 453 T CB 0.925 69.884 68.868 0.152 0.000 1.016 453 T HN 0.682 nan 8.240 nan 0.000 0.529 454 R N 0.654 120.829 120.500 -0.541 0.000 2.073 454 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 454 R C -0.765 175.089 176.300 -0.742 0.000 1.134 454 R CA 1.232 56.506 56.100 -1.377 0.000 0.952 454 R CB -1.579 28.292 30.300 -0.714 0.000 0.850 454 R HN 0.495 nan 8.270 nan 0.000 0.433 455 P HA -0.146 nan 4.420 nan 0.000 0.222 455 P C -0.206 176.767 177.300 -0.545 0.000 1.142 455 P CA 1.336 64.189 63.100 -0.413 0.000 0.788 455 P CB 0.020 31.477 31.700 -0.406 0.000 0.767 456 Y N -4.570 115.680 120.300 -0.083 0.000 2.660 456 Y HA 0.180 4.730 4.550 -0.000 0.000 0.254 456 Y C 1.516 177.508 175.900 0.153 0.000 1.176 456 Y CA -0.452 57.664 58.100 0.026 0.000 1.195 456 Y CB -0.380 38.106 38.460 0.045 0.000 1.190 456 Y HN -0.089 nan 8.280 nan 0.000 0.535 457 Y N 0.854 121.217 120.300 0.105 0.000 2.181 457 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 457 Y C 1.729 177.651 175.900 0.037 0.000 1.146 457 Y CA 0.957 59.114 58.100 0.095 0.000 1.164 457 Y CB -0.578 37.931 38.460 0.082 0.000 0.982 457 Y HN 0.325 nan 8.280 nan 0.000 0.515 458 E N -0.382 119.921 120.200 0.172 0.000 2.516 458 E HA -0.115 4.235 4.350 -0.000 0.000 0.199 458 E C 1.596 178.217 176.600 0.036 0.000 1.069 458 E CA 0.229 56.674 56.400 0.075 0.000 0.876 458 E CB -0.015 29.707 29.700 0.038 0.000 0.843 458 E HN 0.088 nan 8.360 nan 0.000 0.530 459 R N 0.508 121.045 120.500 0.061 0.000 2.397 459 R HA 0.108 4.448 4.340 -0.000 0.000 0.241 459 R C -0.235 176.027 176.300 -0.064 0.000 0.914 459 R CA 0.015 56.134 56.100 0.032 0.000 1.071 459 R CB 0.522 30.902 30.300 0.134 0.000 1.116 459 R HN -0.115 nan 8.270 nan 0.000 0.524 460 V N 4.088 123.931 119.914 -0.117 0.000 2.555 460 V HA 0.214 4.334 4.120 -0.000 0.000 0.286 460 V C -1.792 174.051 176.094 -0.418 0.000 1.044 460 V CA -1.371 60.700 62.300 -0.381 0.000 1.026 460 V CB 1.022 32.580 31.823 -0.442 0.000 0.981 460 V HN 0.225 nan 8.190 nan 0.000 0.480 461 P HA 0.226 nan 4.420 nan 0.000 0.274 461 P C 0.513 177.662 177.300 -0.253 0.000 1.231 461 P CA -0.535 62.331 63.100 -0.390 0.000 0.790 461 P CB 0.951 32.409 31.700 -0.403 0.000 0.951 462 K N 1.793 122.129 120.400 -0.107 0.000 2.059 462 K HA -0.206 4.114 4.320 -0.000 0.000 0.212 462 K C 1.637 178.261 176.600 0.040 0.000 1.050 462 K CA 1.856 58.127 56.287 -0.026 0.000 0.927 462 K CB -0.567 31.929 32.500 -0.006 0.000 0.714 462 K HN 0.454 nan 8.250 nan 0.000 0.447 463 E N 0.164 120.408 120.200 0.073 0.000 2.187 463 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 463 E C 0.217 176.981 176.600 0.274 0.000 1.004 463 E CA 0.915 57.413 56.400 0.162 0.000 0.813 463 E CB -0.481 29.330 29.700 0.184 0.000 0.736 463 E HN 0.230 nan 8.360 nan 0.000 0.468 464 Y N 0.855 121.133 120.300 -0.036 0.000 2.632 464 Y HA 0.031 4.581 4.550 -0.000 0.000 0.329 464 Y C 0.942 176.927 175.900 0.142 0.000 1.174 464 Y CA -0.075 58.021 58.100 -0.005 0.000 1.469 464 Y CB 0.228 38.473 38.460 -0.357 0.000 1.242 464 Y HN -0.130 nan 8.280 nan 0.000 0.540 465 R N 6.078 126.759 120.500 0.301 0.000 2.229 465 R HA 0.340 4.680 4.340 -0.000 0.000 0.332 465 R C -2.812 173.631 176.300 0.238 0.000 0.989 465 R CA -1.932 54.308 56.100 0.233 0.000 0.842 465 R CB 0.830 31.212 30.300 0.136 0.000 1.119 465 R HN 0.337 nan 8.270 nan 0.000 0.456 466 P HA -0.053 nan 4.420 nan 0.000 0.265 466 P C -0.189 177.056 177.300 -0.092 0.000 1.193 466 P CA 0.062 63.126 63.100 -0.059 0.000 0.765 466 P CB 1.024 32.703 31.700 -0.035 0.000 0.823 467 V N 1.813 121.592 119.914 -0.225 0.000 3.229 467 V HA 0.181 4.301 4.120 -0.000 0.000 0.239 467 V C 0.374 176.273 176.094 -0.325 0.000 1.390 467 V CA 0.635 62.842 62.300 -0.154 0.000 1.231 467 V CB 0.209 31.969 31.823 -0.106 0.000 1.025 467 V HN 0.501 nan 8.190 nan 0.000 0.461 468 Q N 0.027 119.488 119.800 -0.566 0.000 2.320 468 Q HA 0.459 4.799 4.340 -0.000 0.000 0.272 468 Q C -1.664 174.033 176.000 -0.505 0.000 1.023 468 Q CA -0.210 55.182 55.803 -0.684 0.000 0.855 468 Q CB 2.700 30.607 28.738 -1.385 0.000 1.367 468 Q HN 0.338 nan 8.270 nan 0.000 0.406 469 T N 3.406 117.757 114.554 -0.337 0.000 2.823 469 T HA 0.671 5.021 4.350 -0.000 0.000 0.279 469 T C -0.793 173.803 174.700 -0.173 0.000 0.998 469 T CA -0.363 61.591 62.100 -0.243 0.000 0.994 469 T CB 0.852 69.621 68.868 -0.165 0.000 0.960 469 T HN 0.419 nan 8.240 nan 0.000 0.448 470 L N 1.702 122.853 121.223 -0.120 0.000 2.250 470 L HA 0.595 4.935 4.340 -0.000 0.000 0.252 470 L C 1.532 178.399 176.870 -0.005 0.000 1.054 470 L CA -0.994 53.805 54.840 -0.069 0.000 0.856 470 L CB 0.837 42.845 42.059 -0.085 0.000 1.443 470 L HN 0.370 nan 8.230 nan 0.000 0.427 471 K N 0.309 120.710 120.400 0.003 0.000 2.052 471 K HA -0.153 4.167 4.320 -0.000 0.000 0.215 471 K C -0.037 176.595 176.600 0.052 0.000 1.053 471 K CA 2.189 58.489 56.287 0.022 0.000 0.934 471 K CB -0.059 32.448 32.500 0.012 0.000 0.717 471 K HN 0.617 nan 8.250 nan 0.000 0.450 472 D N -0.608 119.828 120.400 0.060 0.000 3.078 472 D HA 0.174 4.814 4.640 -0.000 0.000 0.363 472 D C -0.834 175.540 176.300 0.123 0.000 1.391 472 D CA -0.093 53.954 54.000 0.079 0.000 0.754 472 D CB 0.528 41.333 40.800 0.009 0.000 1.238 472 D HN 0.055 nan 8.370 nan 0.000 0.500 473 R N 0.394 121.005 120.500 0.185 0.000 2.629 473 R HA 0.414 4.754 4.340 -0.000 0.000 0.266 473 R C -1.336 175.017 176.300 0.089 0.000 1.051 473 R CA -0.718 55.491 56.100 0.181 0.000 0.895 473 R CB 2.402 32.735 30.300 0.055 0.000 1.246 473 R HN -0.105 nan 8.270 nan 0.000 0.459 474 Q N 1.606 121.434 119.800 0.046 0.000 2.372 474 Q HA 0.484 4.824 4.340 -0.000 0.000 0.273 474 Q C -1.454 174.283 176.000 -0.438 0.000 1.078 474 Q CA -0.626 54.996 55.803 -0.302 0.000 0.806 474 Q CB 1.934 30.394 28.738 -0.463 0.000 1.332 474 Q HN 0.446 nan 8.270 nan 0.000 0.435 475 R N 2.571 122.647 120.500 -0.706 0.000 2.480 475 R HA 0.531 4.871 4.340 -0.000 0.000 0.306 475 R C -1.009 174.864 176.300 -0.712 0.000 0.958 475 R CA -0.517 55.215 56.100 -0.614 0.000 0.861 475 R CB 1.308 31.164 30.300 -0.740 0.000 1.171 475 R HN 0.583 nan 8.270 nan 0.000 0.445 476 Y N -0.173 120.114 120.300 -0.023 0.000 2.699 476 Y HA 0.608 5.158 4.550 -0.000 0.000 0.326 476 Y C 0.506 176.372 175.900 -0.057 0.000 1.141 476 Y CA -0.893 57.188 58.100 -0.031 0.000 1.246 476 Y CB 1.936 40.400 38.460 0.007 0.000 1.426 476 Y HN 0.325 nan 8.280 nan 0.000 0.559 477 T N 1.668 116.283 114.554 0.102 0.000 2.993 477 T HA 0.506 4.856 4.350 -0.000 0.000 0.312 477 T C -1.054 173.645 174.700 -0.002 0.000 1.115 477 T CA -0.706 61.425 62.100 0.052 0.000 1.027 477 T CB 0.998 69.928 68.868 0.102 0.000 1.116 477 T HN 0.362 nan 8.240 nan 0.000 0.464 478 L N 3.392 124.604 121.223 -0.018 0.000 2.358 478 L HA 0.420 4.760 4.340 -0.000 0.000 0.268 478 L C -1.391 175.512 176.870 0.056 0.000 1.032 478 L CA -2.456 52.385 54.840 0.001 0.000 0.805 478 L CB 1.754 43.803 42.059 -0.017 0.000 1.253 478 L HN 0.423 nan 8.230 nan 0.000 0.452 479 P HA -0.064 nan 4.420 nan 0.000 0.217 479 P C -0.027 177.301 177.300 0.046 0.000 1.151 479 P CA 0.793 63.924 63.100 0.053 0.000 0.828 479 P CB 0.260 31.987 31.700 0.045 0.000 0.788 483 E N 1.446 121.632 120.200 -0.023 0.000 2.008 483 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 483 E C 1.205 177.707 176.600 -0.163 0.000 0.986 483 E CA 0.905 57.259 56.400 -0.076 0.000 0.807 483 E CB 0.189 29.832 29.700 -0.093 0.000 0.766 483 E HN 0.058 nan 8.360 nan 0.000 0.450 484 K N 0.841 121.038 120.400 -0.338 0.000 2.281 484 K HA -0.190 4.130 4.320 -0.000 0.000 0.203 484 K C 1.919 178.312 176.600 -0.345 0.000 1.046 484 K CA 1.178 57.111 56.287 -0.590 0.000 0.938 484 K CB -0.233 31.389 32.500 -1.463 0.000 0.737 484 K HN 0.402 nan 8.250 nan 0.000 0.458 485 E N 0.778 120.944 120.200 -0.056 0.000 2.152 485 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 485 E C 1.605 178.074 176.600 -0.217 0.000 0.983 485 E CA 0.620 57.025 56.400 0.009 0.000 0.818 485 E CB 0.208 29.995 29.700 0.144 0.000 0.758 485 E HN 0.197 nan 8.360 nan 0.000 0.467 486 R N 0.053 120.505 120.500 -0.081 0.000 2.240 486 R HA -0.049 4.291 4.340 -0.000 0.000 0.203 486 R C 1.963 178.272 176.300 0.015 0.000 1.011 486 R CA 0.956 57.069 56.100 0.021 0.000 1.007 486 R CB 0.043 30.385 30.300 0.071 0.000 0.911 486 R HN 0.125 nan 8.270 nan 0.000 0.468 487 E N 0.782 120.942 120.200 -0.067 0.000 2.216 487 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 487 E C 1.626 178.214 176.600 -0.021 0.000 0.988 487 E CA 0.715 57.078 56.400 -0.062 0.000 0.834 487 E CB 0.199 29.810 29.700 -0.148 0.000 0.772 487 E HN -0.013 nan 8.360 nan 0.000 0.479 488 V N 0.240 120.123 119.914 -0.053 0.000 2.407 488 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 488 V C 1.763 177.988 176.094 0.218 0.000 1.041 488 V CA 1.454 63.778 62.300 0.040 0.000 1.040 488 V CB -0.666 31.134 31.823 -0.038 0.000 0.671 488 V HN 0.315 nan 8.190 nan 0.000 0.455 489 Y N 0.836 121.222 120.300 0.143 0.000 2.224 489 Y HA -0.157 4.393 4.550 -0.000 0.000 0.289 489 Y C 2.659 178.606 175.900 0.078 0.000 1.146 489 Y CA 1.486 59.656 58.100 0.115 0.000 1.182 489 Y CB -0.781 37.745 38.460 0.111 0.000 0.983 489 Y HN 0.212 nan 8.280 nan 0.000 0.524 490 R N 0.403 121.037 120.500 0.223 0.000 2.073 490 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 490 R C 2.060 178.425 176.300 0.108 0.000 1.134 490 R CA 1.382 57.560 56.100 0.130 0.000 0.952 490 R CB -0.562 29.789 30.300 0.085 0.000 0.850 490 R HN 0.307 nan 8.270 nan 0.000 0.433 491 L N 0.864 122.162 121.223 0.125 0.000 1.956 491 L HA -0.218 4.121 4.340 -0.000 0.000 0.216 491 L C 2.583 179.502 176.870 0.083 0.000 1.073 491 L CA 2.019 56.930 54.840 0.118 0.000 0.762 491 L CB -0.708 41.469 42.059 0.196 0.000 0.889 491 L HN 0.343 nan 8.230 nan 0.000 0.433 492 E N -0.105 120.155 120.200 0.100 0.000 2.136 492 E HA -0.314 4.036 4.350 -0.000 0.000 0.202 492 E C 2.171 178.777 176.600 0.010 0.000 1.019 492 E CA 1.474 57.870 56.400 -0.007 0.000 0.819 492 E CB -0.241 29.497 29.700 0.064 0.000 0.739 492 E HN 0.547 nan 8.360 nan 0.000 0.458 493 A N 0.635 123.485 122.820 0.050 0.000 1.933 493 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 493 A C 2.131 179.726 177.584 0.019 0.000 1.175 493 A CA 1.012 53.066 52.037 0.028 0.000 0.628 493 A CB -0.403 18.621 19.000 0.040 0.000 0.814 493 A HN 0.151 nan 8.150 nan 0.000 0.444 494 L N -0.770 120.469 121.223 0.027 0.000 2.179 494 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 494 L C 2.323 179.201 176.870 0.013 0.000 1.096 494 L CA 0.677 55.530 54.840 0.022 0.000 0.779 494 L CB -0.362 41.714 42.059 0.028 0.000 0.922 494 L HN 0.362 nan 8.230 nan 0.000 0.443 495 I N -0.465 120.106 120.570 0.002 0.000 2.286 495 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 495 I C 2.692 178.804 176.117 -0.009 0.000 1.115 495 I CA 1.218 62.510 61.300 -0.012 0.000 1.392 495 I CB -0.295 37.671 38.000 -0.056 0.000 1.065 495 I HN 0.224 nan 8.210 nan 0.000 0.418 496 R N 0.365 120.858 120.500 -0.013 0.000 2.061 496 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 496 R C 2.448 178.753 176.300 0.009 0.000 1.140 496 R CA 1.193 57.287 56.100 -0.010 0.000 0.940 496 R CB -0.527 29.763 30.300 -0.017 0.000 0.839 496 R HN 0.264 nan 8.270 nan 0.000 0.429 497 R N 0.867 121.374 120.500 0.011 0.000 2.134 497 R HA -0.253 4.087 4.340 -0.000 0.000 0.248 497 R C 2.344 178.663 176.300 0.032 0.000 1.143 497 R CA 2.096 58.208 56.100 0.020 0.000 0.957 497 R CB -0.148 30.162 30.300 0.017 0.000 0.867 497 R HN -0.040 nan 8.270 nan 0.000 0.441 498 R N 0.785 121.303 120.500 0.030 0.000 2.073 498 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 498 R C 2.007 178.343 176.300 0.060 0.000 1.120 498 R CA 2.117 58.240 56.100 0.039 0.000 0.967 498 R CB -0.440 29.879 30.300 0.031 0.000 0.862 498 R HN 0.401 nan 8.270 nan 0.000 0.436 499 E N 0.155 120.387 120.200 0.053 0.000 2.118 499 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 499 E C 1.689 178.356 176.600 0.112 0.000 0.992 499 E CA 1.706 58.148 56.400 0.070 0.000 0.804 499 E CB -0.093 29.626 29.700 0.031 0.000 0.741 499 E HN 0.542 nan 8.360 nan 0.000 0.458 500 E N -0.049 120.211 120.200 0.099 0.000 2.158 500 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 500 E C 1.709 178.422 176.600 0.188 0.000 0.982 500 E CA 0.846 57.343 56.400 0.161 0.000 0.823 500 E CB 0.099 29.860 29.700 0.101 0.000 0.766 500 E HN 0.362 nan 8.360 nan 0.000 0.468 501 E N 0.124 120.391 120.200 0.112 0.000 2.072 501 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 501 E C 2.218 178.866 176.600 0.081 0.000 0.985 501 E CA 1.270 57.716 56.400 0.077 0.000 0.801 501 E CB 0.138 29.866 29.700 0.048 0.000 0.750 501 E HN 0.142 nan 8.360 nan 0.000 0.452 502 V N 1.491 121.474 119.914 0.115 0.000 2.343 502 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 502 V C 2.062 178.248 176.094 0.152 0.000 1.051 502 V CA 1.767 64.152 62.300 0.142 0.000 1.036 502 V CB -0.589 31.346 31.823 0.187 0.000 0.654 502 V HN 0.235 nan 8.190 nan 0.000 0.451 503 F N 0.805 120.782 119.950 0.046 0.000 2.075 503 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 503 F C 2.063 177.877 175.800 0.022 0.000 1.113 503 F CA 1.710 59.725 58.000 0.024 0.000 1.218 503 F CB -0.581 38.425 39.000 0.008 0.000 0.984 503 F HN 0.027 nan 8.300 nan 0.000 0.472 504 L N 0.246 121.273 121.223 -0.325 0.000 2.079 504 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 504 L C 2.481 179.197 176.870 -0.256 0.000 1.081 504 L CA 1.846 56.456 54.840 -0.383 0.000 0.752 504 L CB -0.764 41.234 42.059 -0.100 0.000 0.896 504 L HN 0.258 nan 8.230 nan 0.000 0.433 505 E N -0.606 119.521 120.200 -0.121 0.000 2.031 505 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 505 E C 2.250 178.806 176.600 -0.073 0.000 0.994 505 E CA 1.484 57.848 56.400 -0.061 0.000 0.800 505 E CB -0.112 29.591 29.700 0.006 0.000 0.752 505 E HN 0.248 nan 8.360 nan 0.000 0.447 506 V N 1.406 121.276 119.914 -0.072 0.000 2.407 506 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 506 V C 2.437 178.442 176.094 -0.147 0.000 1.055 506 V CA 1.739 64.002 62.300 -0.061 0.000 1.049 506 V CB -0.560 31.244 31.823 -0.031 0.000 0.662 506 V HN 0.248 nan 8.190 nan 0.000 0.455 507 R N 0.551 120.860 120.500 -0.319 0.000 2.070 507 R HA -0.253 4.087 4.340 -0.000 0.000 0.232 507 R C 2.359 178.552 176.300 -0.178 0.000 1.138 507 R CA 2.315 58.221 56.100 -0.325 0.000 0.936 507 R CB -0.437 29.511 30.300 -0.587 0.000 0.839 507 R HN 0.510 nan 8.270 nan 0.000 0.429 508 E N 0.487 120.588 120.200 -0.165 0.000 2.233 508 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 508 E C 2.028 178.591 176.600 -0.063 0.000 1.004 508 E CA 1.345 57.688 56.400 -0.095 0.000 0.819 508 E CB -0.120 29.534 29.700 -0.078 0.000 0.738 508 E HN 0.179 nan 8.360 nan 0.000 0.478 509 R N -0.263 120.201 120.500 -0.060 0.000 2.070 509 R HA -0.035 4.305 4.340 -0.000 0.000 0.233 509 R C 2.217 178.500 176.300 -0.029 0.000 1.137 509 R CA 1.437 57.519 56.100 -0.030 0.000 0.945 509 R CB -0.959 29.332 30.300 -0.014 0.000 0.845 509 R HN 0.325 nan 8.270 nan 0.000 0.430 510 A N 0.940 123.735 122.820 -0.041 0.000 1.969 510 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 510 A C 2.091 179.659 177.584 -0.027 0.000 1.169 510 A CA 1.420 53.438 52.037 -0.030 0.000 0.635 510 A CB -0.337 18.643 19.000 -0.034 0.000 0.810 510 A HN 0.280 nan 8.150 nan 0.000 0.445 511 K N -0.303 120.074 120.400 -0.037 0.000 2.362 511 K HA -0.061 4.259 4.320 -0.000 0.000 0.200 511 K C 1.552 178.142 176.600 -0.017 0.000 1.046 511 K CA 0.898 57.168 56.287 -0.029 0.000 0.952 511 K CB -0.086 32.391 32.500 -0.039 0.000 0.753 511 K HN 0.421 nan 8.250 nan 0.000 0.466 512 R N -0.232 120.259 120.500 -0.015 0.000 2.317 512 R HA 0.082 4.422 4.340 -0.000 0.000 0.208 512 R C 0.871 177.170 176.300 -0.002 0.000 0.914 512 R CA 0.198 56.293 56.100 -0.007 0.000 1.060 512 R CB 0.478 30.773 30.300 -0.007 0.000 1.015 512 R HN 0.170 nan 8.270 nan 0.000 0.498 513 Q N -0.929 118.869 119.800 -0.003 0.000 2.171 513 Q HA 0.264 4.604 4.340 -0.000 0.000 0.218 513 Q C 1.434 177.436 176.000 0.003 0.000 0.822 513 Q CA 0.221 56.025 55.803 0.001 0.000 0.987 513 Q CB 1.221 29.959 28.738 -0.000 0.000 1.144 513 Q HN 0.220 nan 8.270 nan 0.000 0.494 514 A N 1.545 124.365 122.820 0.001 0.000 1.915 514 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 514 A C 2.079 179.668 177.584 0.009 0.000 1.198 514 A CA 2.152 54.191 52.037 0.003 0.000 0.647 514 A CB -0.287 18.715 19.000 0.003 0.000 0.825 514 A HN 0.248 nan 8.150 nan 0.000 0.456 515 E N -0.308 119.899 120.200 0.013 0.000 2.110 515 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 515 E C 2.087 178.698 176.600 0.018 0.000 0.988 515 E CA 1.430 57.842 56.400 0.019 0.000 0.804 515 E CB -0.476 29.237 29.700 0.021 0.000 0.745 515 E HN 0.518 nan 8.360 nan 0.000 0.458 516 A N -0.127 122.702 122.820 0.015 0.000 1.930 516 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 516 A C 2.039 179.630 177.584 0.013 0.000 1.175 516 A CA 1.072 53.118 52.037 0.015 0.000 0.627 516 A CB -0.531 18.477 19.000 0.013 0.000 0.815 516 A HN 0.286 nan 8.150 nan 0.000 0.443 517 L N -0.298 120.931 121.223 0.009 0.000 2.046 517 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 517 L C 2.595 179.469 176.870 0.007 0.000 1.077 517 L CA 1.778 56.621 54.840 0.006 0.000 0.747 517 L CB -0.720 41.340 42.059 0.002 0.000 0.896 517 L HN 0.335 nan 8.230 nan 0.000 0.432 518 R N -0.873 119.634 120.500 0.011 0.000 2.081 518 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 518 R C 2.221 178.532 176.300 0.018 0.000 1.131 518 R CA 1.473 57.581 56.100 0.014 0.000 0.960 518 R CB -0.263 30.049 30.300 0.021 0.000 0.856 518 R HN 0.424 nan 8.270 nan 0.000 0.436 519 E N 0.074 120.287 120.200 0.022 0.000 2.208 519 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 519 E C 1.770 178.385 176.600 0.025 0.000 0.988 519 E CA 0.778 57.194 56.400 0.027 0.000 0.828 519 E CB 0.099 29.818 29.700 0.031 0.000 0.763 519 E HN 0.362 nan 8.360 nan 0.000 0.478 520 A N 1.214 124.045 122.820 0.019 0.000 1.898 520 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 520 A C 2.371 179.961 177.584 0.010 0.000 1.181 520 A CA 1.469 53.516 52.037 0.017 0.000 0.620 520 A CB -0.604 18.404 19.000 0.012 0.000 0.819 520 A HN 0.361 nan 8.150 nan 0.000 0.442 521 A N 0.390 123.212 122.820 0.003 0.000 1.873 521 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 521 A C 2.231 179.808 177.584 -0.012 0.000 1.193 521 A CA 1.950 53.981 52.037 -0.009 0.000 0.629 521 A CB -0.554 18.439 19.000 -0.011 0.000 0.826 521 A HN 0.582 nan 8.150 nan 0.000 0.447 522 R N -0.392 120.109 120.500 0.002 0.000 2.082 522 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 522 R C 2.107 178.415 176.300 0.014 0.000 1.136 522 R CA 1.788 57.892 56.100 0.007 0.000 0.935 522 R CB -0.643 29.677 30.300 0.032 0.000 0.842 522 R HN 0.577 nan 8.270 nan 0.000 0.430 523 I N 0.994 121.585 120.570 0.035 0.000 2.127 523 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 523 I C 2.261 178.407 176.117 0.048 0.000 1.075 523 I CA 1.510 62.845 61.300 0.057 0.000 1.334 523 I CB -0.375 37.661 38.000 0.061 0.000 1.040 523 I HN 0.174 nan 8.210 nan 0.000 0.405 524 L N 0.329 121.566 121.223 0.023 0.000 2.201 524 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 524 L C 2.766 179.621 176.870 -0.026 0.000 1.105 524 L CA 0.940 55.786 54.840 0.011 0.000 0.775 524 L CB -0.676 41.382 42.059 -0.001 0.000 0.913 524 L HN 0.246 nan 8.230 nan 0.000 0.440 525 A N 0.098 122.886 122.820 -0.054 0.000 1.929 525 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 525 A C 2.167 179.637 177.584 -0.191 0.000 1.176 525 A CA 1.163 53.128 52.037 -0.119 0.000 0.628 525 A CB -0.258 18.664 19.000 -0.130 0.000 0.816 525 A HN 0.415 nan 8.150 nan 0.000 0.444 526 E N -0.197 119.907 120.200 -0.160 0.000 2.072 526 E HA -0.131 4.218 4.350 -0.000 0.000 0.191 526 E C 1.961 178.444 176.600 -0.194 0.000 0.985 526 E CA 0.868 57.092 56.400 -0.294 0.000 0.801 526 E CB -0.270 29.398 29.700 -0.054 0.000 0.750 526 E HN 0.590 nan 8.360 nan 0.000 0.452 527 L N 1.221 122.481 121.223 0.063 0.000 2.012 527 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 527 L C 2.357 179.284 176.870 0.095 0.000 1.073 527 L CA 1.523 56.496 54.840 0.223 0.000 0.748 527 L CB -0.186 41.970 42.059 0.160 0.000 0.891 527 L HN 0.149 nan 8.230 nan 0.000 0.431 528 D N -0.744 119.629 120.400 -0.044 0.000 2.084 528 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 528 D C 2.068 178.292 176.300 -0.127 0.000 0.990 528 D CA 1.608 55.547 54.000 -0.101 0.000 0.826 528 D CB 0.009 40.738 40.800 -0.117 0.000 0.971 528 D HN 0.139 nan 8.370 nan 0.000 0.453 529 V N -0.062 119.719 119.914 -0.222 0.000 2.295 529 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 529 V C 2.267 178.331 176.094 -0.050 0.000 1.049 529 V CA 1.719 63.864 62.300 -0.259 0.000 1.024 529 V CB -1.064 30.405 31.823 -0.590 0.000 0.648 529 V HN 0.319 nan 8.190 nan 0.000 0.447 530 Y N 0.585 120.959 120.300 0.123 0.000 2.165 530 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 530 Y C 2.631 178.703 175.900 0.286 0.000 1.155 530 Y CA 1.093 59.352 58.100 0.265 0.000 1.164 530 Y CB -0.396 38.285 38.460 0.367 0.000 0.978 530 Y HN 0.251 nan 8.280 nan 0.000 0.513 531 A N 0.000 122.973 122.820 0.254 0.000 1.897 531 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 531 A C 2.364 179.872 177.584 -0.127 0.000 1.181 531 A CA 1.387 53.298 52.037 -0.211 0.000 0.620 531 A CB -1.081 17.497 19.000 -0.705 0.000 0.821 531 A HN 0.419 nan 8.150 nan 0.000 0.443 532 A N 0.036 122.798 122.820 -0.096 0.000 1.858 532 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 532 A C 2.146 179.676 177.584 -0.090 0.000 1.190 532 A CA 1.535 53.504 52.037 -0.113 0.000 0.617 532 A CB -0.734 18.197 19.000 -0.115 0.000 0.827 532 A HN 0.460 nan 8.150 nan 0.000 0.443 533 L N -0.838 120.376 121.223 -0.014 0.000 2.127 533 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 533 L C 3.046 179.857 176.870 -0.097 0.000 1.089 533 L CA 1.067 55.912 54.840 0.008 0.000 0.757 533 L CB -0.499 41.644 42.059 0.139 0.000 0.899 533 L HN 0.486 nan 8.230 nan 0.000 0.434 534 A N -0.234 122.527 122.820 -0.099 0.000 1.897 534 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 534 A C 2.175 179.636 177.584 -0.205 0.000 1.181 534 A CA 1.552 53.474 52.037 -0.193 0.000 0.620 534 A CB -0.385 18.593 19.000 -0.036 0.000 0.821 534 A HN 0.374 nan 8.150 nan 0.000 0.443 535 E N -0.065 120.023 120.200 -0.187 0.000 2.085 535 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 535 E C 1.767 178.172 176.600 -0.326 0.000 0.994 535 E CA 1.687 57.950 56.400 -0.228 0.000 0.801 535 E CB -0.315 29.257 29.700 -0.213 0.000 0.743 535 E HN 0.243 nan 8.360 nan 0.000 0.453 536 V N 0.584 120.298 119.914 -0.332 0.000 2.358 536 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 536 V C 2.305 178.033 176.094 -0.609 0.000 1.047 536 V CA 1.674 63.685 62.300 -0.483 0.000 1.035 536 V CB -0.833 30.828 31.823 -0.269 0.000 0.658 536 V HN 0.482 nan 8.190 nan 0.000 0.452 537 A N -0.020 122.555 122.820 -0.407 0.000 1.865 537 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 537 A C 2.402 179.839 177.584 -0.244 0.000 1.191 537 A CA 2.303 54.161 52.037 -0.298 0.000 0.623 537 A CB -0.851 18.047 19.000 -0.170 0.000 0.826 537 A HN 0.313 nan 8.150 nan 0.000 0.444 538 V N 0.175 119.958 119.914 -0.219 0.000 2.252 538 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 538 V C 2.696 178.672 176.094 -0.197 0.000 1.056 538 V CA 2.553 64.760 62.300 -0.156 0.000 1.022 538 V CB -0.878 30.858 31.823 -0.143 0.000 0.641 538 V HN 0.695 nan 8.190 nan 0.000 0.445 539 R N -0.775 119.514 120.500 -0.351 0.000 2.091 539 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 539 R C 1.954 178.079 176.300 -0.291 0.000 1.136 539 R CA 2.070 57.915 56.100 -0.425 0.000 0.959 539 R CB -0.233 29.611 30.300 -0.760 0.000 0.856 539 R HN 0.669 nan 8.270 nan 0.000 0.437 540 Y N -1.004 119.148 120.300 -0.247 0.000 2.555 540 Y HA 0.284 4.834 4.550 -0.000 0.000 0.259 540 Y C 0.894 176.782 175.900 -0.020 0.000 1.179 540 Y CA -0.359 57.627 58.100 -0.190 0.000 1.230 540 Y CB 1.241 39.503 38.460 -0.330 0.000 1.146 540 Y HN 0.358 nan 8.280 nan 0.000 0.526 541 G N 0.558 109.427 108.800 0.115 0.000 2.298 541 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.287 541 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.287 541 G C -0.612 174.535 174.900 0.412 0.000 1.075 541 G CA -0.307 44.922 45.100 0.215 0.000 0.960 541 G HN 0.220 nan 8.290 nan 0.000 0.502 542 Y N -1.329 119.071 120.300 0.167 0.000 2.392 542 Y HA 0.727 5.277 4.550 -0.000 0.000 0.323 542 Y C 0.956 177.003 175.900 0.245 0.000 1.291 542 Y CA -1.370 56.846 58.100 0.193 0.000 1.345 542 Y CB 1.480 40.087 38.460 0.246 0.000 1.320 542 Y HN 0.691 nan 8.280 nan 0.000 0.518 543 V N -1.004 119.085 119.914 0.292 0.000 3.130 543 V HA 0.642 4.762 4.120 -0.000 0.000 0.310 543 V C -0.625 175.135 176.094 -0.557 0.000 1.158 543 V CA -1.689 60.607 62.300 -0.007 0.000 1.029 543 V CB 1.984 33.780 31.823 -0.045 0.000 1.057 543 V HN 0.717 nan 8.190 nan 0.000 0.436 544 R N 2.872 122.726 120.500 -1.077 0.000 2.389 544 R HA 0.495 4.835 4.340 -0.000 0.000 0.295 544 R C -2.375 173.541 176.300 -0.640 0.000 1.075 544 R CA -1.162 54.190 56.100 -1.247 0.000 1.005 544 R CB 1.025 30.676 30.300 -1.082 0.000 0.987 544 R HN 0.765 nan 8.270 nan 0.000 0.452 545 P HA 0.248 nan 4.420 nan 0.000 0.281 545 P C -1.218 175.596 177.300 -0.810 0.000 1.249 545 P CA -0.488 62.246 63.100 -0.610 0.000 0.810 545 P CB 1.149 32.500 31.700 -0.581 0.000 1.008 546 R N 1.773 121.756 120.500 -0.862 0.000 2.494 546 R HA 0.501 4.841 4.340 -0.000 0.000 0.305 546 R C -0.208 175.613 176.300 -0.797 0.000 0.959 546 R CA -0.690 54.922 56.100 -0.813 0.000 0.864 546 R CB 0.579 30.336 30.300 -0.906 0.000 1.159 546 R HN 0.435 nan 8.270 nan 0.000 0.446 547 F N 0.049 119.875 119.950 -0.207 0.000 2.378 547 F HA 0.732 5.259 4.527 -0.000 0.000 0.325 547 F C 1.371 177.113 175.800 -0.096 0.000 1.097 547 F CA 0.005 57.911 58.000 -0.157 0.000 1.079 547 F CB 1.706 40.622 39.000 -0.141 0.000 1.240 547 F HN 0.642 nan 8.300 nan 0.000 0.519 548 G N 0.431 109.297 108.800 0.110 0.000 2.348 548 G HA2 0.044 4.004 3.960 -0.000 0.000 0.296 548 G HA3 0.044 4.004 3.960 -0.000 0.000 0.296 548 G C -0.722 174.211 174.900 0.054 0.000 1.258 548 G CA -0.392 44.757 45.100 0.081 0.000 0.868 548 G HN 0.518 nan 8.290 nan 0.000 0.488 549 D N -0.596 119.857 120.400 0.088 0.000 2.327 549 D HA 0.074 4.714 4.640 -0.000 0.000 0.205 549 D C 0.580 176.980 176.300 0.166 0.000 0.989 549 D CA 0.319 54.401 54.000 0.136 0.000 0.873 549 D CB 0.457 41.367 40.800 0.183 0.000 0.955 549 D HN 0.219 nan 8.370 nan 0.000 0.515 550 R N 0.794 121.371 120.500 0.128 0.000 2.346 550 R HA 0.400 4.740 4.340 -0.000 0.000 0.311 550 R C -0.436 175.928 176.300 0.107 0.000 0.983 550 R CA -0.545 55.638 56.100 0.140 0.000 0.880 550 R CB 2.242 32.601 30.300 0.099 0.000 1.100 550 R HN 0.050 nan 8.270 nan 0.000 0.453 551 L N 3.734 125.037 121.223 0.132 0.000 2.260 551 L HA 0.246 4.586 4.340 -0.000 0.000 0.289 551 L C -0.979 175.952 176.870 0.101 0.000 1.057 551 L CA -0.063 54.832 54.840 0.092 0.000 0.811 551 L CB 0.615 42.741 42.059 0.112 0.000 1.184 551 L HN 0.614 nan 8.230 nan 0.000 0.429 552 Q N 6.583 126.436 119.800 0.088 0.000 2.397 552 Q HA 0.498 4.838 4.340 -0.000 0.000 0.260 552 Q C -1.146 174.897 176.000 0.072 0.000 1.002 552 Q CA -0.179 55.660 55.803 0.061 0.000 0.716 552 Q CB 2.148 30.876 28.738 -0.017 0.000 1.258 552 Q HN 0.620 nan 8.270 nan 0.000 0.477 553 I N 1.724 122.337 120.570 0.072 0.000 2.437 553 I HA 0.488 4.658 4.170 -0.000 0.000 0.298 553 I C -0.064 176.096 176.117 0.073 0.000 0.984 553 I CA -0.782 60.556 61.300 0.063 0.000 1.214 553 I CB 1.531 39.564 38.000 0.056 0.000 1.365 553 I HN 0.411 nan 8.210 nan 0.000 0.469 554 R N 5.306 125.842 120.500 0.061 0.000 2.422 554 R HA 0.589 4.929 4.340 -0.000 0.000 0.307 554 R C -0.280 176.061 176.300 0.068 0.000 1.004 554 R CA -0.064 56.073 56.100 0.062 0.000 0.882 554 R CB 1.250 31.577 30.300 0.045 0.000 1.164 554 R HN 0.894 nan 8.270 nan 0.000 0.489 555 A N 2.294 125.168 122.820 0.090 0.000 3.115 555 A HA -0.120 4.200 4.320 -0.000 0.000 0.263 555 A C 0.292 177.948 177.584 0.119 0.000 1.391 555 A CA 0.590 52.690 52.037 0.104 0.000 0.778 555 A CB -1.939 17.112 19.000 0.085 0.000 1.034 555 A HN 0.922 nan 8.150 nan 0.000 0.551 556 G N -0.336 108.544 108.800 0.134 0.000 2.467 556 G HA2 0.588 4.548 3.960 -0.000 0.000 0.257 556 G HA3 0.588 4.548 3.960 -0.000 0.000 0.257 556 G C 0.058 175.076 174.900 0.197 0.000 1.227 556 G CA 0.047 45.211 45.100 0.108 0.000 0.835 556 G HN 1.277 nan 8.290 nan 0.000 0.556 557 R N 0.496 121.040 120.500 0.074 0.000 2.740 557 R HA 0.346 4.686 4.340 -0.000 0.000 0.273 557 R C -1.028 175.054 176.300 -0.363 0.000 0.998 557 R CA -1.075 55.016 56.100 -0.015 0.000 0.900 557 R CB 1.361 31.608 30.300 -0.088 0.000 1.223 557 R HN 0.534 nan 8.270 nan 0.000 0.466 558 H N 4.417 122.962 119.070 -0.874 0.000 3.082 558 H HA 0.067 4.623 4.556 -0.000 0.000 0.275 558 H C -1.454 173.555 175.328 -0.532 0.000 1.032 558 H CA -1.617 54.101 56.048 -0.550 0.000 1.477 558 H CB 1.214 30.742 29.762 -0.389 0.000 1.520 558 H HN 0.437 nan 8.280 nan 0.000 0.521 559 P HA -0.170 nan 4.420 nan 0.000 0.218 559 P C 1.256 178.518 177.300 -0.063 0.000 1.146 559 P CA 0.789 63.778 63.100 -0.184 0.000 0.813 559 P CB 0.606 32.188 31.700 -0.198 0.000 0.778 560 V N -0.757 119.230 119.914 0.121 0.000 2.672 560 V HA -0.062 4.058 4.120 -0.000 0.000 0.242 560 V C 2.752 178.839 176.094 -0.010 0.000 1.059 560 V CA 0.830 63.181 62.300 0.084 0.000 1.081 560 V CB -0.626 31.291 31.823 0.158 0.000 0.752 560 V HN -0.110 nan 8.190 nan 0.000 0.472 561 V N 1.702 121.577 119.914 -0.064 0.000 2.427 561 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 561 V C 2.469 178.506 176.094 -0.094 0.000 1.051 561 V CA 2.222 64.415 62.300 -0.179 0.000 1.048 561 V CB -0.775 30.889 31.823 -0.264 0.000 0.666 561 V HN 0.872 nan 8.190 nan 0.000 0.456 562 E N 0.137 120.197 120.200 -0.233 0.000 2.478 562 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 562 E C 2.087 178.624 176.600 -0.104 0.000 1.046 562 E CA 0.570 56.880 56.400 -0.149 0.000 0.870 562 E CB -0.185 29.337 29.700 -0.297 0.000 0.818 562 E HN 0.306 nan 8.360 nan 0.000 0.527 563 R N 0.723 121.139 120.500 -0.140 0.000 2.189 563 R HA 0.115 4.455 4.340 -0.000 0.000 0.218 563 R C 0.773 177.024 176.300 -0.082 0.000 1.074 563 R CA 0.744 56.744 56.100 -0.166 0.000 0.991 563 R CB 0.290 30.485 30.300 -0.176 0.000 0.883 563 R HN 0.026 nan 8.270 nan 0.000 0.457 564 R N -0.582 119.892 120.500 -0.043 0.000 2.690 564 R HA 0.339 4.679 4.340 -0.000 0.000 0.419 564 R C -0.779 175.530 176.300 0.014 0.000 1.090 564 R CA 0.010 56.101 56.100 -0.014 0.000 1.064 564 R CB 0.867 31.156 30.300 -0.019 0.000 1.391 564 R HN -0.030 nan 8.270 nan 0.000 0.586 565 T N -0.043 114.535 114.554 0.040 0.000 2.927 565 T HA 0.065 4.415 4.350 -0.000 0.000 0.350 565 T C -1.470 173.297 174.700 0.112 0.000 1.746 565 T CA -0.812 61.330 62.100 0.070 0.000 1.081 565 T CB 2.076 70.991 68.868 0.079 0.000 1.551 565 T HN -0.097 nan 8.240 nan 0.000 0.489 566 E N 1.534 121.794 120.200 0.100 0.000 2.238 566 E HA 0.341 4.691 4.350 -0.000 0.000 0.264 566 E C -0.993 175.704 176.600 0.161 0.000 1.136 566 E CA 0.138 56.608 56.400 0.117 0.000 0.929 566 E CB -0.121 29.630 29.700 0.085 0.000 1.010 566 E HN 0.388 nan 8.360 nan 0.000 0.440 567 F N 3.490 123.462 119.950 0.036 0.000 2.410 567 F HA 0.274 4.801 4.527 -0.000 0.000 0.349 567 F C -0.310 175.529 175.800 0.064 0.000 1.117 567 F CA -0.985 57.036 58.000 0.035 0.000 1.104 567 F CB 0.832 39.845 39.000 0.022 0.000 1.122 567 F HN 0.095 nan 8.300 nan 0.000 0.483 568 V N 8.375 128.125 119.914 -0.274 0.000 2.405 568 V HA 0.203 4.323 4.120 -0.000 0.000 0.264 568 V C -1.963 174.102 176.094 -0.048 0.000 1.048 568 V CA -1.574 60.669 62.300 -0.094 0.000 0.966 568 V CB 0.144 31.934 31.823 -0.055 0.000 1.015 568 V HN 0.647 nan 8.190 nan 0.000 0.477 569 P HA 0.198 nan 4.420 nan 0.000 0.271 569 P C -0.405 176.981 177.300 0.142 0.000 1.233 569 P CA -0.081 63.155 63.100 0.227 0.000 0.789 569 P CB 0.572 32.381 31.700 0.182 0.000 0.951 570 N N 0.386 119.204 118.700 0.197 0.000 2.610 570 N HA 0.294 5.034 4.740 -0.000 0.000 0.264 570 N C -1.316 174.317 175.510 0.205 0.000 1.348 570 N CA -0.455 52.689 53.050 0.156 0.000 0.819 570 N CB 1.740 40.310 38.487 0.139 0.000 1.521 570 N HN 0.321 nan 8.380 nan 0.000 0.497 571 D N 0.517 121.010 120.400 0.155 0.000 2.440 571 D HA 0.665 5.305 4.640 -0.000 0.000 0.258 571 D C -0.532 175.925 176.300 0.262 0.000 1.092 571 D CA -0.209 53.890 54.000 0.165 0.000 1.016 571 D CB 1.819 42.674 40.800 0.091 0.000 1.141 571 D HN 0.250 nan 8.370 nan 0.000 0.552 572 L N 0.004 121.352 121.223 0.209 0.000 2.735 572 L HA 0.277 4.617 4.340 -0.000 0.000 0.258 572 L C -1.386 175.575 176.870 0.152 0.000 0.920 572 L CA -0.158 54.824 54.840 0.236 0.000 0.958 572 L CB 1.744 43.969 42.059 0.275 0.000 1.499 572 L HN 0.388 nan 8.230 nan 0.000 0.441 576 H N -0.572 117.900 119.070 -0.997 0.000 2.861 576 H HA -0.157 4.399 4.556 -0.000 0.000 0.289 576 H C 0.281 175.434 175.328 -0.291 0.000 1.176 576 H CA 1.895 57.521 56.048 -0.703 0.000 1.146 576 H CB -1.201 28.300 29.762 -0.434 0.000 1.330 576 H HN 0.892 nan 8.280 nan 0.000 0.379 577 E N 0.234 120.365 120.200 -0.116 0.000 2.254 577 E HA 0.546 4.896 4.350 -0.000 0.000 0.261 577 E C 0.400 177.056 176.600 0.095 0.000 1.051 577 E CA -0.939 55.481 56.400 0.034 0.000 0.902 577 E CB 1.906 31.648 29.700 0.070 0.000 1.168 577 E HN 0.068 nan 8.360 nan 0.000 0.423 578 L N 2.567 123.891 121.223 0.169 0.000 2.276 578 L HA 0.333 4.673 4.340 -0.000 0.000 0.286 578 L C -1.399 175.574 176.870 0.171 0.000 1.024 578 L CA -0.686 54.275 54.840 0.200 0.000 0.826 578 L CB 0.888 43.107 42.059 0.267 0.000 1.211 578 L HN 0.289 nan 8.230 nan 0.000 0.422 579 V N 6.417 126.439 119.914 0.180 0.000 2.293 579 V HA 0.314 4.434 4.120 -0.000 0.000 0.275 579 V C 0.290 176.498 176.094 0.189 0.000 1.021 579 V CA -0.538 61.864 62.300 0.170 0.000 0.815 579 V CB 1.250 33.183 31.823 0.184 0.000 1.025 579 V HN 0.609 nan 8.190 nan 0.000 0.448 580 L N 5.769 127.072 121.223 0.134 0.000 2.371 580 L HA 0.533 4.873 4.340 -0.000 0.000 0.272 580 L C -0.265 176.662 176.870 0.096 0.000 1.124 580 L CA 0.025 54.925 54.840 0.099 0.000 0.816 580 L CB 0.920 42.973 42.059 -0.010 0.000 1.129 580 L HN 0.461 nan 8.230 nan 0.000 0.448 581 I N 2.102 122.741 120.570 0.114 0.000 2.439 581 I HA 0.377 4.547 4.170 -0.000 0.000 0.285 581 I C -0.020 176.124 176.117 0.045 0.000 1.021 581 I CA -0.250 61.111 61.300 0.102 0.000 1.091 581 I CB 1.813 39.925 38.000 0.185 0.000 1.242 581 I HN 0.670 nan 8.210 nan 0.000 0.439 582 T N 1.761 116.314 114.554 -0.002 0.000 2.883 582 T HA 0.982 5.332 4.350 -0.000 0.000 0.284 582 T C 0.020 174.726 174.700 0.011 0.000 1.041 582 T CA -0.912 61.159 62.100 -0.048 0.000 1.007 582 T CB 2.205 70.946 68.868 -0.212 0.000 1.220 582 T HN 1.065 nan 8.240 nan 0.000 0.552 583 G N 0.688 109.515 108.800 0.046 0.000 2.362 583 G HA2 0.282 4.242 3.960 -0.000 0.000 0.656 583 G HA3 0.282 4.242 3.960 -0.000 0.000 0.656 583 G C -3.365 171.613 174.900 0.131 0.000 1.376 583 G CA -0.887 44.294 45.100 0.134 0.000 0.971 583 G HN 0.745 nan 8.290 nan 0.000 0.636 584 P HA 0.029 nan 4.420 nan 0.000 0.265 584 P C 0.465 177.860 177.300 0.159 0.000 1.187 584 P CA 0.239 63.496 63.100 0.261 0.000 0.766 584 P CB 0.486 32.339 31.700 0.255 0.000 0.820 588 G N -0.168 108.662 108.800 0.050 0.000 2.902 588 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.215 588 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.215 588 G C 0.839 175.783 174.900 0.073 0.000 0.976 588 G CA 0.729 45.839 45.100 0.016 0.000 0.794 588 G HN 0.341 nan 8.290 nan 0.000 0.557 589 K N 1.125 121.577 120.400 0.086 0.000 2.015 589 K HA -0.132 4.188 4.320 -0.000 0.000 0.216 589 K C 2.630 179.346 176.600 0.192 0.000 1.052 589 K CA 2.126 58.503 56.287 0.150 0.000 0.937 589 K CB -0.288 32.288 32.500 0.126 0.000 0.719 589 K HN 0.291 nan 8.250 nan 0.000 0.446 590 S N 0.275 116.055 115.700 0.133 0.000 2.368 590 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 590 S C 2.073 176.752 174.600 0.131 0.000 1.030 590 S CA 1.777 60.047 58.200 0.117 0.000 0.999 590 S CB -0.402 62.842 63.200 0.074 0.000 0.844 590 S HN 0.351 nan 8.310 nan 0.000 0.459 591 T N 1.804 116.436 114.554 0.129 0.000 2.788 591 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 591 T C 1.402 176.274 174.700 0.288 0.000 1.044 591 T CA 0.971 63.178 62.100 0.178 0.000 1.139 591 T CB -0.386 68.550 68.868 0.115 0.000 0.867 591 T HN 0.378 nan 8.240 nan 0.000 0.454 592 F N 1.887 121.902 119.950 0.107 0.000 2.102 592 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 592 F C 1.896 177.754 175.800 0.096 0.000 1.105 592 F CA 0.970 59.036 58.000 0.110 0.000 1.239 592 F CB -0.628 38.414 39.000 0.071 0.000 0.991 592 F HN 0.062 nan 8.300 nan 0.000 0.474 593 L N -0.078 121.162 121.223 0.028 0.000 1.989 593 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 593 L C 2.719 179.523 176.870 -0.109 0.000 1.071 593 L CA 1.705 56.490 54.840 -0.092 0.000 0.749 593 L CB -0.799 41.277 42.059 0.028 0.000 0.890 593 L HN 0.060 nan 8.230 nan 0.000 0.431 594 R N -0.254 120.247 120.500 0.001 0.000 2.105 594 R HA -0.234 4.106 4.340 -0.000 0.000 0.239 594 R C 2.274 178.501 176.300 -0.122 0.000 1.135 594 R CA 1.628 57.726 56.100 -0.003 0.000 0.967 594 R CB -0.436 29.961 30.300 0.161 0.000 0.861 594 R HN 0.495 nan 8.270 nan 0.000 0.442 595 Q N 0.466 120.230 119.800 -0.060 0.000 2.096 595 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 595 Q C 1.476 177.332 176.000 -0.240 0.000 0.982 595 Q CA 2.103 57.802 55.803 -0.173 0.000 0.850 595 Q CB -0.002 28.760 28.738 0.041 0.000 0.901 595 Q HN 0.266 nan 8.270 nan 0.000 0.422 596 T N 0.933 115.311 114.554 -0.293 0.000 2.674 596 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 596 T C 1.841 176.413 174.700 -0.213 0.000 1.039 596 T CA 1.490 63.419 62.100 -0.284 0.000 1.150 596 T CB -0.513 68.135 68.868 -0.367 0.000 0.864 596 T HN 0.505 nan 8.240 nan 0.000 0.427 597 A N 1.489 124.179 122.820 -0.217 0.000 1.851 597 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 597 A C 2.351 179.831 177.584 -0.174 0.000 1.195 597 A CA 1.458 53.374 52.037 -0.200 0.000 0.622 597 A CB -1.094 17.796 19.000 -0.182 0.000 0.831 597 A HN 0.469 nan 8.150 nan 0.000 0.444 598 L N -0.456 120.639 121.223 -0.214 0.000 2.051 598 L HA -0.258 4.082 4.340 -0.000 0.000 0.214 598 L C 2.540 179.306 176.870 -0.174 0.000 1.076 598 L CA 1.527 56.234 54.840 -0.220 0.000 0.758 598 L CB -0.631 41.220 42.059 -0.347 0.000 0.890 598 L HN 0.424 nan 8.230 nan 0.000 0.433 599 I N -0.328 120.134 120.570 -0.180 0.000 2.179 599 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 599 I C 2.831 178.914 176.117 -0.057 0.000 1.088 599 I CA 1.264 62.480 61.300 -0.140 0.000 1.357 599 I CB -0.528 37.391 38.000 -0.136 0.000 1.051 599 I HN 0.236 nan 8.210 nan 0.000 0.409 600 A N 0.788 123.599 122.820 -0.016 0.000 1.877 600 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 600 A C 2.256 179.890 177.584 0.084 0.000 1.186 600 A CA 1.643 53.745 52.037 0.108 0.000 0.620 600 A CB -0.859 18.257 19.000 0.194 0.000 0.822 600 A HN 0.403 nan 8.150 nan 0.000 0.443 601 L N -0.334 120.893 121.223 0.006 0.000 2.083 601 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 601 L C 2.220 179.107 176.870 0.027 0.000 1.083 601 L CA 1.628 56.468 54.840 -0.000 0.000 0.752 601 L CB -0.500 41.522 42.059 -0.063 0.000 0.899 601 L HN 0.404 nan 8.230 nan 0.000 0.433 602 L N -0.881 120.348 121.223 0.010 0.000 2.027 602 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 602 L C 2.681 179.614 176.870 0.104 0.000 1.074 602 L CA 1.114 55.984 54.840 0.049 0.000 0.745 602 L CB -0.900 41.159 42.059 -0.001 0.000 0.898 602 L HN 0.371 nan 8.230 nan 0.000 0.433 603 A N -0.384 122.493 122.820 0.095 0.000 1.851 603 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 603 A C 1.930 179.683 177.584 0.281 0.000 1.195 603 A CA 1.446 53.587 52.037 0.173 0.000 0.622 603 A CB -0.626 18.453 19.000 0.131 0.000 0.831 603 A HN 0.484 nan 8.150 nan 0.000 0.444 604 Q N -0.894 119.026 119.800 0.201 0.000 2.362 604 Q HA 0.188 4.528 4.340 -0.000 0.000 0.215 604 Q C 0.564 176.593 176.000 0.048 0.000 0.944 604 Q CA 0.087 55.941 55.803 0.084 0.000 0.964 604 Q CB 0.086 28.854 28.738 0.049 0.000 0.998 604 Q HN 0.402 nan 8.270 nan 0.000 0.488 605 V N -1.894 118.072 119.914 0.086 0.000 3.411 605 V HA 0.213 4.333 4.120 -0.000 0.000 0.287 605 V C 0.853 176.987 176.094 0.067 0.000 1.543 605 V CA 0.832 63.175 62.300 0.071 0.000 1.028 605 V CB 1.203 33.121 31.823 0.158 0.000 0.840 605 V HN 0.490 nan 8.190 nan 0.000 0.435 606 G N 1.034 109.913 108.800 0.132 0.000 2.141 606 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.231 606 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.231 606 G C 0.332 175.421 174.900 0.315 0.000 0.984 606 G CA 0.617 45.830 45.100 0.188 0.000 0.660 606 G HN 0.980 nan 8.290 nan 0.000 0.525 607 S N -0.590 115.298 115.700 0.313 0.000 2.651 607 S HA 0.812 5.282 4.470 -0.000 0.000 0.291 607 S C 0.383 175.254 174.600 0.453 0.000 1.141 607 S CA -0.716 57.711 58.200 0.378 0.000 1.027 607 S CB 0.810 64.196 63.200 0.309 0.000 1.043 607 S HN 0.384 nan 8.310 nan 0.000 0.530 608 F N 1.742 121.804 119.950 0.186 0.000 2.440 608 F HA 0.423 4.950 4.527 -0.000 0.000 0.323 608 F C 0.872 176.744 175.800 0.120 0.000 1.192 608 F CA -0.765 57.330 58.000 0.158 0.000 1.252 608 F CB 0.781 39.913 39.000 0.219 0.000 1.214 608 F HN 0.510 nan 8.300 nan 0.000 0.578 609 V N -0.337 119.627 119.914 0.084 0.000 3.046 609 V HA 0.645 4.765 4.120 -0.000 0.000 0.316 609 V C -2.710 173.100 176.094 -0.474 0.000 1.104 609 V CA -2.507 59.624 62.300 -0.282 0.000 1.006 609 V CB 2.094 33.795 31.823 -0.204 0.000 1.058 609 V HN 0.565 nan 8.190 nan 0.000 0.440 610 P HA 0.488 nan 4.420 nan 0.000 0.244 610 P C -0.334 176.873 177.300 -0.155 0.000 1.769 610 P CA 0.506 63.324 63.100 -0.470 0.000 1.102 610 P CB 0.224 31.609 31.700 -0.525 0.000 1.937 611 A N 1.827 124.616 122.820 -0.051 0.000 2.493 611 A HA 0.377 4.697 4.320 -0.000 0.000 0.300 611 A C 0.543 178.149 177.584 0.036 0.000 1.152 611 A CA -0.427 51.612 52.037 0.002 0.000 0.643 611 A CB 0.652 19.637 19.000 -0.025 0.000 1.316 611 A HN 0.192 nan 8.150 nan 0.000 0.469 612 E N -0.673 119.551 120.200 0.039 0.000 2.307 612 E HA 0.184 4.534 4.350 -0.000 0.000 0.195 612 E C -0.039 176.574 176.600 0.022 0.000 0.975 612 E CA 0.569 56.994 56.400 0.043 0.000 0.878 612 E CB 0.364 30.094 29.700 0.050 0.000 0.845 612 E HN 0.525 nan 8.360 nan 0.000 0.488 613 E N -0.563 119.647 120.200 0.016 0.000 2.397 613 E HA 0.471 4.821 4.350 -0.000 0.000 0.293 613 E C -2.021 174.593 176.600 0.024 0.000 0.930 613 E CA -0.486 55.926 56.400 0.020 0.000 0.793 613 E CB 1.722 31.455 29.700 0.056 0.000 1.259 613 E HN 0.067 nan 8.360 nan 0.000 0.406 614 A N 4.954 127.753 122.820 -0.035 0.000 2.457 614 A HA 0.416 4.736 4.320 -0.000 0.000 0.283 614 A C -1.422 176.072 177.584 -0.150 0.000 1.166 614 A CA -0.558 51.441 52.037 -0.063 0.000 0.740 614 A CB 0.665 19.586 19.000 -0.133 0.000 1.181 614 A HN 0.653 nan 8.150 nan 0.000 0.446 615 H N 3.156 122.145 119.070 -0.136 0.000 2.597 615 H HA 0.470 5.026 4.556 -0.000 0.000 0.303 615 H C -0.982 174.261 175.328 -0.141 0.000 1.057 615 H CA 0.043 56.000 56.048 -0.151 0.000 1.261 615 H CB 1.072 30.782 29.762 -0.087 0.000 1.397 615 H HN 0.516 nan 8.280 nan 0.000 0.461 616 L N 6.293 127.411 121.223 -0.175 0.000 2.362 616 L HA 0.426 4.766 4.340 -0.000 0.000 0.271 616 L C -2.294 174.505 176.870 -0.118 0.000 1.002 616 L CA -2.008 52.746 54.840 -0.144 0.000 0.818 616 L CB 2.660 44.644 42.059 -0.125 0.000 1.298 616 L HN 0.436 nan 8.230 nan 0.000 0.420 617 P HA 0.256 nan 4.420 nan 0.000 0.280 617 P C -1.086 175.845 177.300 -0.615 0.000 1.272 617 P CA -0.596 62.227 63.100 -0.461 0.000 0.819 617 P CB 1.323 32.621 31.700 -0.670 0.000 1.122 618 L N 1.625 122.608 121.223 -0.399 0.000 2.302 618 L HA 0.310 4.650 4.340 -0.000 0.000 0.285 618 L C 0.387 177.093 176.870 -0.274 0.000 1.090 618 L CA -0.526 54.120 54.840 -0.324 0.000 0.866 618 L CB -0.880 41.028 42.059 -0.251 0.000 1.244 618 L HN 0.238 nan 8.230 nan 0.000 0.435 619 F N 2.168 122.076 119.950 -0.070 0.000 2.484 619 F HA -0.005 4.522 4.527 -0.000 0.000 0.360 619 F C 1.646 177.441 175.800 -0.008 0.000 1.101 619 F CA -0.478 57.490 58.000 -0.053 0.000 1.251 619 F CB 0.764 39.707 39.000 -0.095 0.000 1.132 619 F HN 0.566 nan 8.300 nan 0.000 0.570 620 D N 0.952 121.501 120.400 0.249 0.000 2.355 620 D HA 0.172 4.812 4.640 -0.000 0.000 0.218 620 D C 0.490 176.881 176.300 0.151 0.000 1.004 620 D CA 0.491 54.594 54.000 0.172 0.000 0.880 620 D CB 0.376 41.281 40.800 0.176 0.000 0.911 620 D HN 0.576 nan 8.370 nan 0.000 0.528 621 G N -0.307 108.565 108.800 0.121 0.000 2.404 621 G HA2 0.409 4.369 3.960 -0.000 0.000 0.298 621 G HA3 0.409 4.369 3.960 -0.000 0.000 0.298 621 G C -1.758 172.960 174.900 -0.302 0.000 1.577 621 G CA -0.943 44.078 45.100 -0.131 0.000 0.847 621 G HN 0.100 nan 8.290 nan 0.000 0.598 622 I N 1.378 121.652 120.570 -0.493 0.000 2.355 622 I HA 0.407 4.577 4.170 -0.000 0.000 0.288 622 I C -1.000 174.802 176.117 -0.525 0.000 0.999 622 I CA -0.738 60.321 61.300 -0.403 0.000 1.163 622 I CB 1.353 39.193 38.000 -0.267 0.000 1.316 622 I HN 0.417 nan 8.210 nan 0.000 0.454 623 Y N 3.772 124.024 120.300 -0.079 0.000 2.393 623 Y HA 0.584 5.134 4.550 -0.000 0.000 0.341 623 Y C 0.479 176.335 175.900 -0.074 0.000 0.988 623 Y CA -0.812 57.254 58.100 -0.056 0.000 1.078 623 Y CB 2.218 40.655 38.460 -0.038 0.000 1.203 623 Y HN 0.479 nan 8.280 nan 0.000 0.453 624 T N 0.312 114.909 114.554 0.073 0.000 2.900 624 T HA 0.601 4.951 4.350 -0.000 0.000 0.295 624 T C -0.871 173.827 174.700 -0.002 0.000 1.044 624 T CA -1.146 60.959 62.100 0.009 0.000 0.995 624 T CB 2.180 71.036 68.868 -0.020 0.000 1.072 624 T HN 0.498 nan 8.240 nan 0.000 0.473 625 R N 2.399 122.881 120.500 -0.030 0.000 2.547 625 R HA 0.511 4.851 4.340 -0.000 0.000 0.280 625 R C -1.551 174.732 176.300 -0.029 0.000 1.630 625 R CA -0.788 55.287 56.100 -0.042 0.000 1.470 625 R CB -0.514 29.739 30.300 -0.079 0.000 1.178 625 R HN 0.852 nan 8.270 nan 0.000 0.591 626 I N 1.373 121.933 120.570 -0.016 0.000 2.569 626 I HA 0.413 4.583 4.170 -0.000 0.000 0.290 626 I C 0.988 177.104 176.117 -0.002 0.000 1.088 626 I CA -0.383 60.917 61.300 -0.001 0.000 1.047 626 I CB 2.242 40.245 38.000 0.005 0.000 1.237 626 I HN 0.648 nan 8.210 nan 0.000 0.421 627 G N 4.540 113.344 108.800 0.007 0.000 2.950 627 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.299 627 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.299 627 G C 0.595 175.491 174.900 -0.006 0.000 1.310 627 G CA 0.506 45.607 45.100 0.001 0.000 0.994 627 G HN 1.657 nan 8.290 nan 0.000 0.575 636 K N 0.708 121.121 120.400 0.021 0.000 2.144 636 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 636 K C 1.660 178.278 176.600 0.029 0.000 1.047 636 K CA 1.738 58.038 56.287 0.022 0.000 0.927 636 K CB -0.031 32.484 32.500 0.024 0.000 0.716 636 K HN 0.558 nan 8.250 nan 0.000 0.454 637 S N -1.924 113.803 115.700 0.046 0.000 2.693 637 S HA 0.182 4.652 4.470 -0.000 0.000 0.276 637 S C 0.934 175.574 174.600 0.067 0.000 1.192 637 S CA -0.248 57.991 58.200 0.066 0.000 0.994 637 S CB 1.261 64.524 63.200 0.106 0.000 1.012 637 S HN 0.349 nan 8.310 nan 0.000 0.550 638 T N 2.193 116.798 114.554 0.084 0.000 2.857 638 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 638 T C 0.742 175.505 174.700 0.105 0.000 1.048 638 T CA 0.630 62.775 62.100 0.075 0.000 1.139 638 T CB -0.391 68.522 68.868 0.075 0.000 0.874 638 T HN 0.549 nan 8.240 nan 0.000 0.455 645 E N 1.256 121.411 120.200 -0.075 0.000 2.072 645 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 645 E C 2.058 178.618 176.600 -0.066 0.000 0.985 645 E CA 1.567 57.932 56.400 -0.058 0.000 0.801 645 E CB 0.224 29.890 29.700 -0.056 0.000 0.750 645 E HN -0.006 nan 8.360 nan 0.000 0.452 646 V N 1.673 121.535 119.914 -0.087 0.000 2.392 646 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 646 V C 2.355 178.403 176.094 -0.077 0.000 1.059 646 V CA 1.796 64.042 62.300 -0.089 0.000 1.051 646 V CB -0.881 30.886 31.823 -0.094 0.000 0.658 646 V HN 0.290 nan 8.190 nan 0.000 0.455 647 A N 0.196 122.974 122.820 -0.070 0.000 1.841 647 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 647 A C 2.232 179.781 177.584 -0.059 0.000 1.199 647 A CA 2.123 54.127 52.037 -0.056 0.000 0.621 647 A CB -0.695 18.277 19.000 -0.046 0.000 0.835 647 A HN 0.458 nan 8.150 nan 0.000 0.445 648 L N -0.508 120.684 121.223 -0.051 0.000 1.963 648 L HA -0.273 4.067 4.340 -0.000 0.000 0.220 648 L C 2.578 179.385 176.870 -0.105 0.000 1.076 648 L CA 1.975 56.786 54.840 -0.048 0.000 0.772 648 L CB -0.679 41.371 42.059 -0.015 0.000 0.892 648 L HN 0.422 nan 8.230 nan 0.000 0.435 649 I N -0.512 119.988 120.570 -0.117 0.000 2.236 649 I HA -0.369 3.801 4.170 -0.000 0.000 0.249 649 I C 2.437 178.401 176.117 -0.254 0.000 1.102 649 I CA 1.498 62.662 61.300 -0.227 0.000 1.365 649 I CB -0.299 37.623 38.000 -0.131 0.000 1.051 649 I HN 0.297 nan 8.210 nan 0.000 0.420 650 L N 0.167 121.302 121.223 -0.147 0.000 2.291 650 L HA -0.137 4.203 4.340 -0.000 0.000 0.214 650 L C 2.036 178.844 176.870 -0.104 0.000 1.120 650 L CA 1.139 55.913 54.840 -0.110 0.000 0.799 650 L CB -0.228 41.793 42.059 -0.063 0.000 0.925 650 L HN 0.199 nan 8.230 nan 0.000 0.446 651 K N -0.151 120.186 120.400 -0.105 0.000 2.404 651 K HA -0.023 4.297 4.320 -0.000 0.000 0.194 651 K C 0.960 177.508 176.600 -0.086 0.000 1.023 651 K CA 0.419 56.662 56.287 -0.072 0.000 1.094 651 K CB 0.340 32.815 32.500 -0.042 0.000 0.841 651 K HN 0.468 nan 8.250 nan 0.000 0.523 652 E N -0.582 119.511 120.200 -0.178 0.000 2.603 652 E HA 0.180 4.530 4.350 -0.000 0.000 0.218 652 E C 0.038 176.483 176.600 -0.258 0.000 0.878 652 E CA -0.311 55.985 56.400 -0.174 0.000 1.348 652 E CB 0.303 29.918 29.700 -0.142 0.000 1.318 652 E HN 0.050 nan 8.360 nan 0.000 0.673 653 A N 2.162 124.748 122.820 -0.391 0.000 2.462 653 A HA 0.403 4.723 4.320 -0.000 0.000 0.243 653 A C 0.492 178.052 177.584 -0.040 0.000 1.076 653 A CA 0.658 52.535 52.037 -0.266 0.000 0.773 653 A CB 0.241 19.104 19.000 -0.229 0.000 1.010 653 A HN 0.344 nan 8.150 nan 0.000 0.493 654 T N -1.375 113.224 114.554 0.075 0.000 2.858 654 T HA 0.473 4.823 4.350 -0.000 0.000 0.285 654 T C 0.649 175.442 174.700 0.154 0.000 1.052 654 T CA 0.087 62.245 62.100 0.097 0.000 1.009 654 T CB 1.013 69.952 68.868 0.118 0.000 1.241 654 T HN 0.721 nan 8.240 nan 0.000 0.542 655 E N 0.412 120.701 120.200 0.148 0.000 2.515 655 E HA -0.051 4.299 4.350 -0.000 0.000 0.201 655 E C 0.399 177.247 176.600 0.413 0.000 1.071 655 E CA 0.516 57.044 56.400 0.213 0.000 0.880 655 E CB -0.368 29.383 29.700 0.084 0.000 0.828 655 E HN 0.457 nan 8.360 nan 0.000 0.540 656 N N 0.525 119.446 118.700 0.368 0.000 2.282 656 N HA 0.121 4.861 4.740 -0.000 0.000 0.240 656 N C -0.988 174.807 175.510 0.475 0.000 1.182 656 N CA -0.034 53.291 53.050 0.458 0.000 0.874 656 N CB 1.340 40.008 38.487 0.301 0.000 1.126 656 N HN -0.060 nan 8.380 nan 0.000 0.516 657 S N 0.833 116.787 115.700 0.423 0.000 2.525 657 S HA 0.407 4.877 4.470 -0.000 0.000 0.290 657 S C -0.376 174.334 174.600 0.183 0.000 1.152 657 S CA -0.596 57.808 58.200 0.341 0.000 1.072 657 S CB 1.898 65.329 63.200 0.385 0.000 1.027 657 S HN 0.152 nan 8.310 nan 0.000 0.500 658 L N 4.506 125.614 121.223 -0.191 0.000 2.265 658 L HA 0.576 4.916 4.340 -0.000 0.000 0.288 658 L C -1.105 175.691 176.870 -0.123 0.000 1.058 658 L CA -0.044 54.501 54.840 -0.491 0.000 0.809 658 L CB 0.641 42.022 42.059 -1.129 0.000 1.179 658 L HN 0.421 nan 8.230 nan 0.000 0.429 659 V N 6.448 126.346 119.914 -0.027 0.000 2.540 659 V HA 0.503 4.623 4.120 -0.000 0.000 0.302 659 V C -0.476 175.607 176.094 -0.017 0.000 1.035 659 V CA -0.590 61.725 62.300 0.026 0.000 0.873 659 V CB 1.679 33.531 31.823 0.047 0.000 0.992 659 V HN 0.554 nan 8.190 nan 0.000 0.428 660 L N 5.840 127.045 121.223 -0.030 0.000 2.342 660 L HA 0.595 4.935 4.340 -0.000 0.000 0.276 660 L C -0.643 176.187 176.870 -0.067 0.000 0.997 660 L CA -0.066 54.750 54.840 -0.040 0.000 0.838 660 L CB 1.520 43.548 42.059 -0.051 0.000 1.224 660 L HN 0.392 nan 8.230 nan 0.000 0.416 661 L N 2.505 123.660 121.223 -0.113 0.000 2.322 661 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 661 L C -0.918 175.909 176.870 -0.072 0.000 1.014 661 L CA -0.443 54.248 54.840 -0.249 0.000 0.815 661 L CB 2.098 43.688 42.059 -0.780 0.000 1.247 661 L HN 0.501 nan 8.230 nan 0.000 0.421 662 D N 3.720 124.113 120.400 -0.012 0.000 2.454 662 D HA 0.199 4.839 4.640 -0.000 0.000 0.247 662 D C -0.015 176.380 176.300 0.159 0.000 1.129 662 D CA -0.002 54.066 54.000 0.114 0.000 0.877 662 D CB 0.784 41.632 40.800 0.081 0.000 1.082 662 D HN 0.479 nan 8.370 nan 0.000 0.537 663 E N 0.634 121.016 120.200 0.304 0.000 2.971 663 E HA -0.137 4.213 4.350 -0.000 0.000 0.278 663 E C -0.162 176.631 176.600 0.321 0.000 1.009 663 E CA 0.259 56.839 56.400 0.299 0.000 0.862 663 E CB -2.031 27.768 29.700 0.165 0.000 1.436 663 E HN 0.267 nan 8.360 nan 0.000 0.434 664 V N 0.256 120.378 119.914 0.347 0.000 2.557 664 V HA 0.265 4.385 4.120 -0.000 0.000 0.301 664 V C 1.791 178.180 176.094 0.492 0.000 1.026 664 V CA 1.804 64.264 62.300 0.266 0.000 1.137 664 V CB 0.839 32.663 31.823 0.002 0.000 0.917 664 V HN 0.650 nan 8.190 nan 0.000 0.484 665 G N 4.376 113.435 108.800 0.432 0.000 2.255 665 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.196 665 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.196 665 G C 0.104 175.323 174.900 0.532 0.000 0.998 665 G CA -0.121 45.306 45.100 0.545 0.000 0.656 665 G HN 0.892 nan 8.290 nan 0.000 0.490 666 R N 0.056 120.799 120.500 0.405 0.000 2.490 666 R HA 0.617 4.957 4.340 -0.000 0.000 0.278 666 R C 1.132 177.611 176.300 0.298 0.000 1.069 666 R CA 0.416 56.676 56.100 0.268 0.000 1.080 666 R CB 1.252 31.635 30.300 0.140 0.000 1.030 666 R HN 1.477 nan 8.270 nan 0.000 0.491 667 G N -0.673 108.221 108.800 0.156 0.000 2.159 667 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.170 667 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.170 667 G C 0.078 174.882 174.900 -0.159 0.000 1.007 667 G CA 0.100 45.277 45.100 0.127 0.000 0.672 667 G HN 0.926 nan 8.290 nan 0.000 0.507 668 T N -1.366 113.032 114.554 -0.259 0.000 2.628 668 T HA 0.647 4.997 4.350 -0.000 0.000 0.274 668 T C 0.149 174.730 174.700 -0.198 0.000 1.154 668 T CA 0.998 62.850 62.100 -0.412 0.000 1.144 668 T CB 0.927 69.231 68.868 -0.939 0.000 1.734 668 T HN 0.802 nan 8.240 nan 0.000 0.449 669 S N 0.459 116.042 115.700 -0.196 0.000 2.603 669 S HA 0.370 4.840 4.470 -0.000 0.000 0.268 669 S C 1.476 176.040 174.600 -0.059 0.000 1.317 669 S CA 0.207 58.346 58.200 -0.101 0.000 1.012 669 S CB 0.594 63.738 63.200 -0.094 0.000 0.926 669 S HN 0.619 nan 8.310 nan 0.000 0.539 670 S N 3.056 118.745 115.700 -0.018 0.000 2.383 670 S HA -0.102 4.368 4.470 -0.000 0.000 0.229 670 S C 1.815 176.382 174.600 -0.055 0.000 1.030 670 S CA 1.317 59.530 58.200 0.023 0.000 1.002 670 S CB -0.552 62.666 63.200 0.030 0.000 0.829 670 S HN 0.637 nan 8.310 nan 0.000 0.467 671 L N 1.364 122.549 121.223 -0.062 0.000 1.961 671 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 671 L C 2.107 178.919 176.870 -0.096 0.000 1.072 671 L CA 1.522 56.315 54.840 -0.078 0.000 0.749 671 L CB -0.912 41.115 42.059 -0.053 0.000 0.889 671 L HN 0.164 nan 8.230 nan 0.000 0.432 672 D N 0.257 120.606 120.400 -0.085 0.000 2.263 672 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 672 D C 2.067 178.331 176.300 -0.061 0.000 0.971 672 D CA 1.154 55.116 54.000 -0.064 0.000 0.867 672 D CB -0.344 40.401 40.800 -0.091 0.000 0.929 672 D HN 0.375 nan 8.370 nan 0.000 0.492 673 G N 0.747 109.483 108.800 -0.107 0.000 2.552 673 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 673 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 673 G C 1.767 176.394 174.900 -0.455 0.000 1.240 673 G CA 1.482 46.509 45.100 -0.122 0.000 0.796 673 G HN 0.259 nan 8.290 nan 0.000 0.568 674 V N 1.808 121.280 119.914 -0.736 0.000 2.287 674 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 674 V C 3.303 179.233 176.094 -0.274 0.000 1.053 674 V CA 2.101 63.977 62.300 -0.707 0.000 1.027 674 V CB -1.503 30.060 31.823 -0.432 0.000 0.646 674 V HN 0.522 nan 8.190 nan 0.000 0.447 675 A N 1.185 123.909 122.820 -0.160 0.000 1.852 675 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 675 A C 2.191 179.774 177.584 -0.002 0.000 1.215 675 A CA 2.465 54.468 52.037 -0.058 0.000 0.641 675 A CB -0.728 18.254 19.000 -0.031 0.000 0.838 675 A HN 0.417 nan 8.150 nan 0.000 0.450 676 I N -0.023 120.572 120.570 0.041 0.000 2.118 676 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 676 I C 2.992 179.192 176.117 0.138 0.000 1.070 676 I CA 1.845 63.212 61.300 0.111 0.000 1.327 676 I CB -1.877 36.243 38.000 0.201 0.000 1.034 676 I HN 0.406 nan 8.210 nan 0.000 0.405 677 A N 0.620 123.533 122.820 0.155 0.000 1.917 677 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 677 A C 2.454 180.168 177.584 0.216 0.000 1.182 677 A CA 2.699 54.911 52.037 0.290 0.000 0.633 677 A CB -1.150 18.029 19.000 0.297 0.000 0.819 677 A HN 0.484 nan 8.150 nan 0.000 0.448 678 T N 0.160 114.760 114.554 0.076 0.000 2.737 678 T HA 0.039 4.389 4.350 -0.000 0.000 0.265 678 T C 2.275 177.023 174.700 0.081 0.000 1.038 678 T CA 1.567 63.699 62.100 0.054 0.000 1.144 678 T CB -0.524 68.343 68.868 -0.002 0.000 0.866 678 T HN 0.613 nan 8.240 nan 0.000 0.434 679 A N 1.184 124.048 122.820 0.073 0.000 1.883 679 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 679 A C 2.605 180.248 177.584 0.098 0.000 1.186 679 A CA 1.593 53.673 52.037 0.071 0.000 0.624 679 A CB -1.174 17.861 19.000 0.058 0.000 0.822 679 A HN 0.335 nan 8.150 nan 0.000 0.444 680 V N -0.098 119.893 119.914 0.128 0.000 2.255 680 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 680 V C 3.076 179.279 176.094 0.182 0.000 1.051 680 V CA 2.115 64.496 62.300 0.135 0.000 1.018 680 V CB -1.350 30.561 31.823 0.147 0.000 0.641 680 V HN 0.632 nan 8.190 nan 0.000 0.445 681 A N -0.584 122.408 122.820 0.286 0.000 1.978 681 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 681 A C 2.164 179.870 177.584 0.203 0.000 1.170 681 A CA 1.988 54.215 52.037 0.316 0.000 0.636 681 A CB -0.460 18.722 19.000 0.304 0.000 0.810 681 A HN 0.677 nan 8.150 nan 0.000 0.448 682 E N -0.344 119.942 120.200 0.143 0.000 2.107 682 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 682 E C 2.374 179.071 176.600 0.162 0.000 0.982 682 E CA 0.757 57.230 56.400 0.122 0.000 0.809 682 E CB -0.274 29.468 29.700 0.070 0.000 0.756 682 E HN 0.624 nan 8.360 nan 0.000 0.459 683 A N 1.480 124.373 122.820 0.122 0.000 1.858 683 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 683 A C 2.196 179.836 177.584 0.093 0.000 1.190 683 A CA 1.137 53.228 52.037 0.091 0.000 0.617 683 A CB -0.748 18.288 19.000 0.060 0.000 0.827 683 A HN 0.138 nan 8.150 nan 0.000 0.443 684 L N -1.345 119.941 121.223 0.105 0.000 2.265 684 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 684 L C 2.497 179.435 176.870 0.113 0.000 1.117 684 L CA 1.514 56.408 54.840 0.090 0.000 0.782 684 L CB -0.490 41.623 42.059 0.090 0.000 0.914 684 L HN 0.706 nan 8.230 nan 0.000 0.441 685 H N 0.150 119.259 119.070 0.066 0.000 2.307 685 H HA -0.135 4.421 4.556 -0.000 0.000 0.303 685 H C 2.108 177.460 175.328 0.040 0.000 1.073 685 H CA 1.878 57.961 56.048 0.058 0.000 1.338 685 H CB 0.190 29.988 29.762 0.060 0.000 1.389 685 H HN 0.282 nan 8.280 nan 0.000 0.503 686 E N -0.112 120.120 120.200 0.054 0.000 2.058 686 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 686 E C 2.370 178.936 176.600 -0.057 0.000 0.997 686 E CA 0.997 57.387 56.400 -0.018 0.000 0.801 686 E CB -0.076 29.658 29.700 0.057 0.000 0.746 686 E HN 0.211 nan 8.360 nan 0.000 0.450 687 R N 1.092 121.585 120.500 -0.012 0.000 2.133 687 R HA -0.163 4.177 4.340 -0.000 0.000 0.247 687 R C 0.851 177.139 176.300 -0.021 0.000 1.151 687 R CA 1.818 57.914 56.100 -0.007 0.000 0.971 687 R CB -0.245 30.062 30.300 0.012 0.000 0.866 687 R HN 0.147 nan 8.270 nan 0.000 0.447 688 R N -3.283 117.185 120.500 -0.054 0.000 3.854 688 R HA -0.154 4.186 4.340 -0.000 0.000 0.352 688 R C -0.699 175.635 176.300 0.056 0.000 1.156 688 R CA 0.409 56.471 56.100 -0.063 0.000 0.917 688 R CB -2.047 28.191 30.300 -0.105 0.000 1.471 688 R HN 0.365 nan 8.270 nan 0.000 0.521 689 A N -0.096 122.770 122.820 0.078 0.000 2.296 689 A HA 0.464 4.784 4.320 -0.000 0.000 0.264 689 A C -0.467 177.166 177.584 0.083 0.000 1.097 689 A CA -0.100 52.035 52.037 0.162 0.000 0.811 689 A CB 0.084 19.180 19.000 0.159 0.000 1.072 689 A HN 0.265 nan 8.150 nan 0.000 0.495 690 Y N 0.543 120.892 120.300 0.082 0.000 2.486 690 Y HA 0.381 4.931 4.550 -0.000 0.000 0.348 690 Y C 0.578 176.488 175.900 0.017 0.000 1.000 690 Y CA 0.262 58.387 58.100 0.042 0.000 1.253 690 Y CB 0.600 39.090 38.460 0.050 0.000 1.140 690 Y HN 0.447 nan 8.280 nan 0.000 0.526 691 T N 5.636 120.287 114.554 0.160 0.000 2.809 691 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 691 T C -0.442 174.351 174.700 0.154 0.000 0.992 691 T CA -0.665 61.513 62.100 0.129 0.000 0.957 691 T CB 0.575 69.521 68.868 0.130 0.000 0.942 691 T HN 0.383 nan 8.240 nan 0.000 0.439 692 L N 3.901 125.197 121.223 0.121 0.000 2.265 692 L HA 0.564 4.904 4.340 -0.000 0.000 0.289 692 L C -0.832 176.169 176.870 0.218 0.000 1.033 692 L CA -0.725 54.212 54.840 0.162 0.000 0.814 692 L CB 0.925 43.037 42.059 0.089 0.000 1.203 692 L HN 0.639 nan 8.230 nan 0.000 0.423 693 F N 3.516 123.531 119.950 0.107 0.000 2.460 693 F HA 0.641 5.168 4.527 -0.000 0.000 0.341 693 F C 0.063 175.933 175.800 0.116 0.000 1.130 693 F CA -0.993 57.072 58.000 0.108 0.000 0.962 693 F CB 1.279 40.346 39.000 0.111 0.000 1.171 693 F HN 0.492 nan 8.300 nan 0.000 0.436 694 A N 4.890 128.053 122.820 0.572 0.000 2.260 694 A HA 0.604 4.924 4.320 -0.000 0.000 0.308 694 A C -0.350 177.459 177.584 0.375 0.000 1.254 694 A CA -0.236 52.007 52.037 0.343 0.000 0.874 694 A CB 1.271 20.424 19.000 0.256 0.000 1.153 694 A HN 0.696 nan 8.150 nan 0.000 0.527 695 T N 0.220 114.858 114.554 0.139 0.000 2.865 695 T HA 0.533 4.883 4.350 -0.000 0.000 0.294 695 T C -0.098 174.588 174.700 -0.022 0.000 1.119 695 T CA -0.266 61.866 62.100 0.053 0.000 1.007 695 T CB 1.121 69.847 68.868 -0.237 0.000 1.225 695 T HN 0.671 nan 8.240 nan 0.000 0.515 696 H N -0.275 118.683 119.070 -0.186 0.000 2.893 696 H HA 0.375 4.930 4.556 -0.000 0.000 0.270 696 H C -0.748 174.483 175.328 -0.161 0.000 1.095 696 H CA 0.024 55.984 56.048 -0.146 0.000 1.186 696 H CB 0.257 29.869 29.762 -0.250 0.000 1.562 696 H HN 0.415 nan 8.280 nan 0.000 0.536 697 Y N 0.326 120.730 120.300 0.173 0.000 2.595 697 Y HA 0.045 4.595 4.550 -0.000 0.000 0.347 697 Y C 0.332 176.356 175.900 0.208 0.000 1.025 697 Y CA -0.819 57.349 58.100 0.114 0.000 1.295 697 Y CB 0.134 38.622 38.460 0.046 0.000 1.147 697 Y HN 0.123 nan 8.280 nan 0.000 0.515 698 F N 1.438 121.437 119.950 0.081 0.000 2.307 698 F HA -0.209 4.318 4.527 -0.000 0.000 0.301 698 F C 2.068 177.878 175.800 0.017 0.000 1.076 698 F CA 0.718 58.729 58.000 0.019 0.000 1.383 698 F CB -0.377 38.628 39.000 0.009 0.000 1.055 698 F HN 0.598 nan 8.300 nan 0.000 0.526 699 E N 0.455 120.797 120.200 0.236 0.000 2.058 699 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 699 E C 2.310 178.943 176.600 0.056 0.000 0.997 699 E CA 1.436 57.905 56.400 0.115 0.000 0.801 699 E CB -1.160 28.586 29.700 0.077 0.000 0.746 699 E HN 0.367 nan 8.360 nan 0.000 0.450 700 L N 1.747 123.000 121.223 0.049 0.000 2.137 700 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 700 L C 3.040 179.885 176.870 -0.042 0.000 1.085 700 L CA 1.961 56.785 54.840 -0.027 0.000 0.760 700 L CB -1.102 40.887 42.059 -0.117 0.000 0.893 700 L HN 0.381 nan 8.230 nan 0.000 0.434 701 T N -3.211 111.323 114.554 -0.033 0.000 2.951 701 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 701 T C 1.687 176.359 174.700 -0.046 0.000 1.073 701 T CA 0.854 62.918 62.100 -0.061 0.000 1.134 701 T CB -0.121 68.677 68.868 -0.117 0.000 0.884 701 T HN 0.318 nan 8.240 nan 0.000 0.479 702 A N 0.695 123.500 122.820 -0.025 0.000 2.218 702 A HA 0.493 4.813 4.320 -0.000 0.000 0.209 702 A C 1.071 178.640 177.584 -0.025 0.000 1.168 702 A CA -0.379 51.645 52.037 -0.021 0.000 0.804 702 A CB -0.586 18.413 19.000 -0.003 0.000 0.834 702 A HN 0.575 nan 8.150 nan 0.000 0.482 703 L N -0.484 120.721 121.223 -0.031 0.000 2.535 703 L HA -0.014 4.326 4.340 -0.000 0.000 0.301 703 L C 1.251 178.090 176.870 -0.052 0.000 1.275 703 L CA 0.417 55.232 54.840 -0.042 0.000 0.843 703 L CB 0.252 42.278 42.059 -0.056 0.000 1.094 703 L HN 0.315 nan 8.230 nan 0.000 0.532 704 G N 3.948 112.715 108.800 -0.055 0.000 3.515 704 G HA2 0.484 4.444 3.960 -0.000 0.000 0.288 704 G HA3 0.484 4.444 3.960 -0.000 0.000 0.288 704 G C -0.361 174.485 174.900 -0.089 0.000 1.012 704 G CA -0.391 44.677 45.100 -0.053 0.000 1.689 704 G HN 0.279 nan 8.290 nan 0.000 0.572 705 L N 1.820 122.963 121.223 -0.133 0.000 2.365 705 L HA 0.402 4.742 4.340 -0.000 0.000 0.273 705 L C -1.106 175.702 176.870 -0.104 0.000 1.000 705 L CA -2.032 52.657 54.840 -0.251 0.000 0.819 705 L CB 2.859 44.572 42.059 -0.575 0.000 1.284 705 L HN 0.145 nan 8.230 nan 0.000 0.418 706 P HA -0.080 nan 4.420 nan 0.000 0.217 706 P C 0.574 177.960 177.300 0.143 0.000 1.151 706 P CA 1.012 64.167 63.100 0.091 0.000 0.828 706 P CB 0.354 32.127 31.700 0.121 0.000 0.788 707 R N 0.034 120.727 120.500 0.322 0.000 3.039 707 R HA 0.385 4.725 4.340 -0.000 0.000 0.336 707 R C 0.038 176.474 176.300 0.227 0.000 1.258 707 R CA -0.342 55.913 56.100 0.259 0.000 1.125 707 R CB -0.190 30.234 30.300 0.206 0.000 1.427 707 R HN 0.218 nan 8.270 nan 0.000 0.588 708 L N 1.072 122.367 121.223 0.120 0.000 2.287 708 L HA 0.401 4.741 4.340 -0.000 0.000 0.287 708 L C -0.594 176.313 176.870 0.061 0.000 1.022 708 L CA -0.454 54.431 54.840 0.075 0.000 0.814 708 L CB 0.956 43.011 42.059 -0.007 0.000 1.217 708 L HN 0.024 nan 8.230 nan 0.000 0.420 709 K N 3.870 124.316 120.400 0.077 0.000 2.221 709 K HA 0.467 4.787 4.320 -0.000 0.000 0.243 709 K C -1.098 175.536 176.600 0.056 0.000 0.968 709 K CA -0.827 55.499 56.287 0.066 0.000 0.846 709 K CB 1.393 33.945 32.500 0.086 0.000 1.141 709 K HN 0.584 nan 8.250 nan 0.000 0.434 710 N N 2.552 121.276 118.700 0.040 0.000 2.296 710 N HA 0.463 5.203 4.740 -0.000 0.000 0.294 710 N C -1.368 174.172 175.510 0.050 0.000 1.033 710 N CA -0.435 52.629 53.050 0.023 0.000 0.839 710 N CB 1.498 39.966 38.487 -0.031 0.000 1.395 710 N HN 0.429 nan 8.380 nan 0.000 0.479 711 L N 1.894 123.157 121.223 0.066 0.000 2.350 711 L HA 0.577 4.917 4.340 -0.000 0.000 0.260 711 L C -0.659 176.279 176.870 0.114 0.000 1.015 711 L CA -0.940 53.952 54.840 0.087 0.000 0.821 711 L CB 2.430 44.515 42.059 0.044 0.000 1.370 711 L HN 0.600 nan 8.230 nan 0.000 0.416 712 H N 0.067 119.077 119.070 -0.100 0.000 3.046 712 H HA 0.665 5.221 4.556 -0.000 0.000 0.361 712 H C -1.551 173.723 175.328 -0.091 0.000 1.235 712 H CA -0.863 55.128 56.048 -0.096 0.000 1.146 712 H CB 1.287 30.987 29.762 -0.104 0.000 1.859 712 H HN 0.395 nan 8.280 nan 0.000 0.548 713 V N -0.554 119.267 119.914 -0.155 0.000 2.994 713 V HA 1.025 5.145 4.120 -0.000 0.000 0.318 713 V C 0.155 176.216 176.094 -0.055 0.000 1.085 713 V CA -0.350 61.847 62.300 -0.171 0.000 0.998 713 V CB 0.988 32.779 31.823 -0.054 0.000 1.063 713 V HN 1.271 nan 8.190 nan 0.000 0.447 714 A N 0.963 123.762 122.820 -0.036 0.000 2.564 714 A HA 1.068 5.388 4.320 -0.000 0.000 0.288 714 A C -0.398 177.141 177.584 -0.075 0.000 1.164 714 A CA -0.431 51.608 52.037 0.003 0.000 0.712 714 A CB 1.577 20.606 19.000 0.048 0.000 1.303 714 A HN 2.328 nan 8.150 nan 0.000 0.418 715 A N 0.183 122.833 122.820 -0.285 0.000 2.413 715 A HA 0.869 5.189 4.320 -0.000 0.000 0.307 715 A C -0.805 176.597 177.584 -0.303 0.000 1.087 715 A CA -0.678 51.027 52.037 -0.553 0.000 0.750 715 A CB 1.423 19.682 19.000 -1.235 0.000 1.296 715 A HN 0.578 nan 8.150 nan 0.000 0.423 716 R N 1.592 121.953 120.500 -0.231 0.000 2.435 716 R HA 0.266 4.606 4.340 -0.000 0.000 0.308 716 R C -1.010 175.238 176.300 -0.086 0.000 0.975 716 R CA -0.334 55.741 56.100 -0.042 0.000 0.867 716 R CB 1.113 31.483 30.300 0.117 0.000 1.171 716 R HN 0.913 nan 8.270 nan 0.000 0.470 717 E N 3.480 123.674 120.200 -0.011 0.000 2.238 717 E HA 0.059 4.409 4.350 -0.000 0.000 0.264 717 E C -0.297 176.295 176.600 -0.012 0.000 1.136 717 E CA 0.334 56.728 56.400 -0.011 0.000 0.929 717 E CB 0.823 30.558 29.700 0.057 0.000 1.010 717 E HN 0.440 nan 8.360 nan 0.000 0.440 718 E N 1.089 121.267 120.200 -0.036 0.000 2.428 718 E HA 0.464 4.814 4.350 -0.000 0.000 0.259 718 E C 0.799 177.387 176.600 -0.019 0.000 0.930 718 E CA -0.691 55.699 56.400 -0.018 0.000 0.823 718 E CB 0.745 30.439 29.700 -0.010 0.000 1.403 718 E HN 0.346 nan 8.360 nan 0.000 0.415 719 A N 0.787 123.601 122.820 -0.011 0.000 1.900 719 A HA -0.264 4.056 4.320 -0.000 0.000 0.250 719 A C 1.529 179.104 177.584 -0.014 0.000 2.132 719 A CA 2.421 54.452 52.037 -0.010 0.000 0.861 719 A CB -1.740 17.256 19.000 -0.007 0.000 0.830 719 A HN 0.625 nan 8.150 nan 0.000 0.499 720 G N -1.668 107.120 108.800 -0.020 0.000 3.506 720 G HA2 0.559 4.519 3.960 -0.000 0.000 0.268 720 G HA3 0.559 4.519 3.960 -0.000 0.000 0.268 720 G C 0.973 175.856 174.900 -0.029 0.000 0.959 720 G CA 0.793 45.881 45.100 -0.020 0.000 1.823 720 G HN 1.953 nan 8.290 nan 0.000 0.615 721 G N 0.671 109.455 108.800 -0.027 0.000 2.527 721 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.262 721 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.262 721 G C -0.092 174.761 174.900 -0.078 0.000 1.153 721 G CA -0.082 44.998 45.100 -0.033 0.000 0.954 721 G HN 0.789 nan 8.290 nan 0.000 0.552 722 L N 0.436 121.578 121.223 -0.134 0.000 2.322 722 L HA 0.663 5.003 4.340 -0.000 0.000 0.281 722 L C -0.145 176.452 176.870 -0.454 0.000 1.014 722 L CA -1.036 53.610 54.840 -0.323 0.000 0.815 722 L CB 1.989 43.783 42.059 -0.443 0.000 1.247 722 L HN 0.453 nan 8.230 nan 0.000 0.421 723 V N 3.462 123.055 119.914 -0.535 0.000 2.409 723 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 723 V C -0.549 175.072 176.094 -0.789 0.000 1.020 723 V CA -0.504 61.466 62.300 -0.551 0.000 0.848 723 V CB 1.468 33.008 31.823 -0.472 0.000 0.990 723 V HN 0.362 nan 8.190 nan 0.000 0.430 724 F N 4.607 124.268 119.950 -0.481 0.000 2.411 724 F HA 0.565 5.092 4.527 -0.000 0.000 0.355 724 F C 0.124 175.478 175.800 -0.743 0.000 1.117 724 F CA -0.396 57.319 58.000 -0.474 0.000 1.139 724 F CB 0.448 39.271 39.000 -0.295 0.000 1.120 724 F HN 0.364 nan 8.300 nan 0.000 0.493 725 Y N 1.697 121.849 120.300 -0.248 0.000 2.458 725 Y HA 0.294 4.844 4.550 -0.000 0.000 0.322 725 Y C 1.093 176.752 175.900 -0.401 0.000 1.259 725 Y CA -0.524 57.357 58.100 -0.366 0.000 1.302 725 Y CB 0.823 39.157 38.460 -0.210 0.000 1.314 725 Y HN 0.451 nan 8.280 nan 0.000 0.509 726 H N -0.497 118.607 119.070 0.058 0.000 2.592 726 H HA 0.159 4.715 4.556 -0.000 0.000 0.279 726 H C -0.464 174.794 175.328 -0.116 0.000 1.089 726 H CA -0.259 55.748 56.048 -0.070 0.000 1.150 726 H CB 0.322 29.988 29.762 -0.160 0.000 1.575 726 H HN 0.565 nan 8.280 nan 0.000 0.547 727 Q N 1.161 120.955 119.800 -0.010 0.000 2.289 727 Q HA 0.104 4.444 4.340 -0.000 0.000 0.273 727 Q C 0.040 175.923 176.000 -0.195 0.000 1.029 727 Q CA 0.037 55.783 55.803 -0.095 0.000 0.896 727 Q CB 1.021 29.694 28.738 -0.109 0.000 1.182 727 Q HN 0.062 nan 8.270 nan 0.000 0.385 728 V N 5.984 125.738 119.914 -0.265 0.000 2.267 728 V HA 0.150 4.270 4.120 -0.000 0.000 0.254 728 V C 0.077 175.970 176.094 -0.336 0.000 1.144 728 V CA -0.207 61.842 62.300 -0.417 0.000 0.992 728 V CB -0.667 30.688 31.823 -0.780 0.000 1.199 728 V HN 0.618 nan 8.190 nan 0.000 0.493 729 L N 6.939 127.920 121.223 -0.403 0.000 2.436 729 L HA 0.396 4.736 4.340 -0.000 0.000 0.265 729 L C -1.790 175.012 176.870 -0.113 0.000 1.168 729 L CA -1.663 52.995 54.840 -0.303 0.000 0.815 729 L CB 0.813 42.647 42.059 -0.375 0.000 1.109 729 L HN 0.319 nan 8.230 nan 0.000 0.462 730 P HA 0.255 nan 4.420 nan 0.000 0.275 730 P C -0.038 177.380 177.300 0.196 0.000 1.228 730 P CA 0.302 63.469 63.100 0.112 0.000 0.786 730 P CB 1.353 33.087 31.700 0.057 0.000 0.927 731 G N 2.303 111.161 108.800 0.097 0.000 2.663 731 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.686 731 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.686 731 G C -3.253 171.542 174.900 -0.174 0.000 1.288 731 G CA -0.833 44.232 45.100 -0.058 0.000 0.836 731 G HN 0.547 nan 8.290 nan 0.000 0.584 732 P HA 0.547 nan 4.420 nan 0.000 0.278 732 P C 0.156 177.103 177.300 -0.587 0.000 1.266 732 P CA 0.377 63.258 63.100 -0.365 0.000 0.807 732 P CB 1.113 32.619 31.700 -0.323 0.000 1.094 733 A N 1.218 123.727 122.820 -0.519 0.000 2.440 733 A HA 0.286 4.605 4.320 -0.000 0.000 0.251 733 A C 1.580 178.887 177.584 -0.462 0.000 1.089 733 A CA 0.175 51.975 52.037 -0.396 0.000 0.779 733 A CB -0.431 18.407 19.000 -0.270 0.000 1.022 733 A HN 0.578 nan 8.150 nan 0.000 0.492 734 S N 2.128 117.749 115.700 -0.132 0.000 2.336 734 S HA 0.028 4.498 4.470 -0.000 0.000 0.216 734 S C 0.775 175.518 174.600 0.238 0.000 1.032 734 S CA 1.035 59.231 58.200 -0.007 0.000 0.973 734 S CB -0.276 62.930 63.200 0.009 0.000 0.888 734 S HN 0.833 nan 8.310 nan 0.000 0.455 735 K N 0.695 121.262 120.400 0.278 0.000 2.433 735 K HA 0.630 4.950 4.320 -0.000 0.000 0.252 735 K C -1.023 175.711 176.600 0.223 0.000 1.015 735 K CA -0.702 55.718 56.287 0.220 0.000 0.860 735 K CB 1.463 33.921 32.500 -0.070 0.000 1.359 735 K HN 0.138 nan 8.250 nan 0.000 0.452 736 S N -0.091 115.597 115.700 -0.020 0.000 2.578 736 S HA 0.396 4.866 4.470 -0.000 0.000 0.283 736 S C -0.662 173.884 174.600 -0.090 0.000 1.195 736 S CA -0.516 57.697 58.200 0.022 0.000 1.050 736 S CB 0.173 63.297 63.200 -0.127 0.000 1.012 736 S HN 0.507 nan 8.310 nan 0.000 0.511 737 Y N 3.080 123.443 120.300 0.104 0.000 2.658 737 Y HA 0.303 4.853 4.550 -0.000 0.000 0.276 737 Y C 1.868 177.822 175.900 0.089 0.000 1.167 737 Y CA -0.268 57.889 58.100 0.095 0.000 1.230 737 Y CB -0.237 38.300 38.460 0.128 0.000 1.144 737 Y HN 0.841 nan 8.280 nan 0.000 0.529 738 G N 0.345 109.233 108.800 0.148 0.000 2.587 738 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 738 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 738 G C 1.726 176.670 174.900 0.074 0.000 1.240 738 G CA 1.685 46.846 45.100 0.101 0.000 0.794 738 G HN 0.225 nan 8.290 nan 0.000 0.580 739 V N 1.128 121.062 119.914 0.033 0.000 2.317 739 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 739 V C 2.795 178.915 176.094 0.042 0.000 1.065 739 V CA 2.543 64.856 62.300 0.021 0.000 1.049 739 V CB -0.771 31.049 31.823 -0.006 0.000 0.651 739 V HN 0.345 nan 8.190 nan 0.000 0.450 740 E N 0.188 120.425 120.200 0.062 0.000 2.085 740 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 740 E C 2.144 178.811 176.600 0.112 0.000 0.994 740 E CA 1.359 57.814 56.400 0.091 0.000 0.801 740 E CB -0.681 29.112 29.700 0.156 0.000 0.743 740 E HN 0.451 nan 8.360 nan 0.000 0.453 741 V N 0.884 120.888 119.914 0.149 0.000 2.307 741 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 741 V C 2.218 178.366 176.094 0.089 0.000 1.045 741 V CA 1.694 64.082 62.300 0.147 0.000 1.024 741 V CB -0.954 30.977 31.823 0.179 0.000 0.651 741 V HN 0.352 nan 8.190 nan 0.000 0.449 742 A N 0.276 123.136 122.820 0.068 0.000 1.884 742 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 742 A C 1.757 179.363 177.584 0.037 0.000 1.197 742 A CA 1.763 53.825 52.037 0.042 0.000 0.637 742 A CB -0.984 18.034 19.000 0.030 0.000 0.827 742 A HN 0.698 nan 8.150 nan 0.000 0.450 746 G N -0.476 108.336 108.800 0.020 0.000 2.179 746 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.220 746 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.220 746 G C 0.207 175.113 174.900 0.011 0.000 0.990 746 G CA -0.001 45.107 45.100 0.014 0.000 0.646 746 G HN 0.866 nan 8.290 nan 0.000 0.517 747 L N 1.765 122.996 121.223 0.013 0.000 2.593 747 L HA 0.109 4.449 4.340 -0.000 0.000 0.287 747 L C -1.258 175.617 176.870 0.008 0.000 1.243 747 L CA -0.544 54.302 54.840 0.010 0.000 0.890 747 L CB 0.344 42.410 42.059 0.011 0.000 1.134 747 L HN 0.017 nan 8.230 nan 0.000 0.502 748 P HA -0.039 nan 4.420 nan 0.000 0.262 748 P C 0.173 177.475 177.300 0.004 0.000 1.182 748 P CA 0.225 63.327 63.100 0.004 0.000 0.761 748 P CB 0.494 32.195 31.700 0.002 0.000 0.795 749 K N 2.118 122.520 120.400 0.003 0.000 2.160 749 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 749 K C 1.476 178.076 176.600 0.001 0.000 1.047 749 K CA 1.800 58.088 56.287 0.003 0.000 0.930 749 K CB -0.041 32.461 32.500 0.002 0.000 0.720 749 K HN 0.521 nan 8.250 nan 0.000 0.450 750 E N -0.088 120.113 120.200 0.000 0.000 2.107 750 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 750 E C 1.881 178.480 176.600 -0.001 0.000 0.982 750 E CA 0.912 57.312 56.400 -0.001 0.000 0.809 750 E CB -0.257 29.442 29.700 -0.001 0.000 0.756 750 E HN -0.000 nan 8.360 nan 0.000 0.459 751 V N 0.782 120.695 119.914 -0.001 0.000 2.343 751 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 751 V C 2.216 178.310 176.094 -0.001 0.000 1.051 751 V CA 1.320 63.620 62.300 -0.001 0.000 1.036 751 V CB -0.492 31.331 31.823 0.000 0.000 0.654 751 V HN 0.143 nan 8.190 nan 0.000 0.451 752 V N 0.359 120.273 119.914 0.000 0.000 2.307 752 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 752 V C 2.761 178.853 176.094 -0.003 0.000 1.045 752 V CA 1.941 64.241 62.300 0.000 0.000 1.024 752 V CB -1.098 30.727 31.823 0.004 0.000 0.651 752 V HN 0.544 nan 8.190 nan 0.000 0.449 753 A N 0.471 123.289 122.820 -0.003 0.000 1.940 753 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 753 A C 2.277 179.857 177.584 -0.007 0.000 1.176 753 A CA 2.336 54.370 52.037 -0.006 0.000 0.631 753 A CB -0.546 18.452 19.000 -0.004 0.000 0.814 753 A HN 0.491 nan 8.150 nan 0.000 0.446 754 R N 0.176 120.672 120.500 -0.006 0.000 2.115 754 R HA 0.065 4.405 4.340 -0.000 0.000 0.230 754 R C 2.035 178.329 176.300 -0.009 0.000 1.111 754 R CA 1.828 57.923 56.100 -0.007 0.000 0.976 754 R CB -0.850 29.447 30.300 -0.006 0.000 0.870 754 R HN 0.359 nan 8.270 nan 0.000 0.445 755 A N 0.548 123.362 122.820 -0.009 0.000 1.898 755 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 755 A C 2.186 179.761 177.584 -0.016 0.000 1.181 755 A CA 1.409 53.440 52.037 -0.011 0.000 0.620 755 A CB -0.407 18.588 19.000 -0.009 0.000 0.819 755 A HN 0.377 nan 8.150 nan 0.000 0.442 756 R N -0.472 120.018 120.500 -0.016 0.000 2.096 756 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 756 R C 2.398 178.686 176.300 -0.020 0.000 1.127 756 R CA 1.184 57.271 56.100 -0.021 0.000 0.968 756 R CB -0.411 29.877 30.300 -0.019 0.000 0.861 756 R HN 0.514 nan 8.270 nan 0.000 0.440 757 A N 0.835 123.645 122.820 -0.016 0.000 1.930 757 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 757 A C 2.098 179.673 177.584 -0.015 0.000 1.175 757 A CA 0.993 53.022 52.037 -0.014 0.000 0.627 757 A CB -0.354 18.639 19.000 -0.011 0.000 0.815 757 A HN 0.181 nan 8.150 nan 0.000 0.443 758 L N -0.808 120.406 121.223 -0.015 0.000 2.072 758 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 758 L C 2.557 179.415 176.870 -0.020 0.000 1.079 758 L CA 0.743 55.574 54.840 -0.016 0.000 0.752 758 L CB -0.388 41.662 42.059 -0.015 0.000 0.906 758 L HN 0.382 nan 8.230 nan 0.000 0.436 759 L N -0.570 120.639 121.223 -0.024 0.000 2.017 759 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 759 L C 2.625 179.478 176.870 -0.028 0.000 1.073 759 L CA 1.530 56.352 54.840 -0.030 0.000 0.745 759 L CB -0.350 41.686 42.059 -0.039 0.000 0.894 759 L HN 0.379 nan 8.230 nan 0.000 0.432 760 Q N -0.423 119.362 119.800 -0.025 0.000 2.297 760 Q HA 0.020 4.360 4.340 -0.000 0.000 0.204 760 Q C 0.957 176.947 176.000 -0.017 0.000 0.962 760 Q CA 0.511 56.301 55.803 -0.022 0.000 0.879 760 Q CB -0.048 28.677 28.738 -0.020 0.000 0.947 760 Q HN 0.504 nan 8.270 nan 0.000 0.462 764 A N 0.491 123.305 122.820 -0.011 0.000 2.248 764 A HA 0.389 4.709 4.320 -0.000 0.000 0.210 764 A C 1.036 178.616 177.584 -0.007 0.000 1.174 764 A CA 1.323 53.355 52.037 -0.009 0.000 0.750 764 A CB -0.557 18.438 19.000 -0.009 0.000 0.780 764 A HN 0.714 nan 8.150 nan 0.000 0.478 765 R N 0.000 120.495 120.500 -0.008 0.000 2.786 765 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 765 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 765 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 765 R HN 0.000 nan 8.270 nan 0.000 0.535