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 1g8k_1_E DATA FIRST_RESID 4 DATA SEQUENCE NDRITLPPAN AQRTNMTCHF CIVGCGYHVY KWPELEEGGR APEQNALGLD DATA SEQUENCE FRKQLPPLAV TLTPAMTNVV TEHDGARYDI MVVPDKACVV NSGLSSTRGG DATA SEQUENCE KMASYMYTPT GDGKERLSAP RLYAADEWVD TTWDHAMALY AGLIKKTLDK DATA SEQUENCE DGPQGVFFSC FDHGGAGGGF ENTWGTGKLM FSAIQTPMVR IHNRPAYNSE DATA SEQUENCE CHATREMGIG ELNNAYEDAQ LADVIWSIGN NPYESQTNYF LNHWLPNLQG DATA SEQUENCE ATTSKKKERF PNENFPQARI IFVDPRETPS VAIARHVAGN DRVLHLAIEP DATA SEQUENCE GTDTALFNGL FTYVVEQGWI DKPFIEAHTK GFDDAVKTNR LSLDECSNIT DATA SEQUENCE GVPVDMLKRA AEWSYKPKAS GQAPRTMHAY EKGIIWGNDN YVIQSALLDL DATA SEQUENCE VIATHNVGRR GTGCVRMGGH QEGYTRPPYP GDKKIYIDQE LIKGKGRIMT DATA SEQUENCE WWGCNNFQTS NNAQALREAI LQRSAIVKQA MQKARGATTE EMVDVIYEAT DATA SEQUENCE QNGGLFVTSI NLYPTKLAEA AHLMLPAAHP GEMNLTSMNG ERRIRLSEKF DATA SEQUENCE MDPPGTAMAD CLIAARIANA LRDMYQKDGK AEMAAQFEGF DWKTEEDAFN DATA SEQUENCE DGFRRAGQPG APAIDSQGGS TGHLVTYDRL RKSGNNGVQL PVVSWDESKG DATA SEQUENCE LVGTEMLYTE GKFDTDDGKA HFKPAPWNGL PATVQQQKDK YRFWLNNGRN DATA SEQUENCE NEVWQTAYHD QYNSLMQERY PMAYIEMNPD DCKQLDVTGG DIVEVYNDFG DATA SEQUENCE STFAMVYPVA EIKRGQTFML FGYVNGIQGD VTTDWTDRDI IPYYKGTWGD DATA SEQUENCE IRKVGSMSEF KRTVSFKSRR FG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.508 175.510 -0.004 0.000 1.280 4 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 4 N CB 0.000 38.484 38.487 -0.005 0.000 1.341 5 D N 1.505 121.902 120.400 -0.004 0.000 2.559 5 D HA 0.195 4.833 4.640 -0.004 0.000 0.234 5 D C 0.346 176.643 176.300 -0.005 0.000 1.226 5 D CA -0.060 53.938 54.000 -0.002 0.000 0.830 5 D CB 0.476 41.276 40.800 -0.000 0.000 1.028 5 D HN 0.413 nan 8.370 nan 0.000 0.492 6 R N -1.344 119.149 120.500 -0.010 0.000 2.712 6 R HA 0.635 4.972 4.340 -0.004 0.000 0.272 6 R C -1.821 174.462 176.300 -0.027 0.000 1.032 6 R CA -0.895 55.192 56.100 -0.021 0.000 0.874 6 R CB 0.612 30.899 30.300 -0.023 0.000 1.256 6 R HN -0.021 nan 8.270 nan 0.000 0.468 7 I N 0.744 121.283 120.570 -0.052 0.000 2.730 7 I HA 0.294 4.461 4.170 -0.004 0.000 0.298 7 I C -0.497 175.588 176.117 -0.054 0.000 1.089 7 I CA -1.099 60.172 61.300 -0.047 0.000 1.041 7 I CB 3.014 40.974 38.000 -0.066 0.000 1.235 7 I HN 0.632 nan 8.210 nan 0.000 0.423 8 T N 6.328 120.897 114.554 0.025 0.000 2.728 8 T HA 0.440 4.788 4.350 -0.004 0.000 0.296 8 T C 0.043 174.823 174.700 0.134 0.000 0.940 8 T CA -0.385 61.775 62.100 0.099 0.000 1.013 8 T CB 0.080 69.068 68.868 0.200 0.000 0.912 8 T HN 0.222 nan 8.240 nan 0.000 0.484 9 L N 6.245 127.417 121.223 -0.085 0.000 2.439 9 L HA 0.321 4.658 4.340 -0.004 0.000 0.269 9 L C -1.719 174.833 176.870 -0.530 0.000 1.179 9 L CA -2.120 52.551 54.840 -0.281 0.000 0.828 9 L CB 0.238 42.064 42.059 -0.389 0.000 1.106 9 L HN 0.327 nan 8.230 nan 0.000 0.467 10 P HA 0.210 nan 4.420 nan 0.000 0.276 10 P C -2.614 174.081 177.300 -1.009 0.000 1.235 10 P CA -1.703 60.344 63.100 -1.754 0.000 0.772 10 P CB 0.516 31.387 31.700 -1.383 0.000 0.871 11 P HA -0.031 nan 4.420 nan 0.000 0.269 11 P C 1.047 178.146 177.300 -0.336 0.000 1.217 11 P CA 0.218 63.037 63.100 -0.469 0.000 0.783 11 P CB 0.237 31.737 31.700 -0.332 0.000 0.898 12 A N 2.767 125.460 122.820 -0.210 0.000 1.958 12 A HA -0.235 4.083 4.320 -0.004 0.000 0.221 12 A C 1.448 178.968 177.584 -0.106 0.000 1.178 12 A CA 1.883 53.833 52.037 -0.145 0.000 0.642 12 A CB -1.064 17.881 19.000 -0.092 0.000 0.816 12 A HN 0.559 nan 8.150 nan 0.000 0.453 13 N N -0.019 118.630 118.700 -0.086 0.000 2.276 13 N HA 0.308 5.045 4.740 -0.004 0.000 0.212 13 N C 0.329 175.838 175.510 -0.002 0.000 1.127 13 N CA 0.655 53.685 53.050 -0.033 0.000 0.834 13 N CB -0.120 38.359 38.487 -0.012 0.000 1.014 13 N HN 0.496 nan 8.380 nan 0.000 0.491 14 A N 0.770 123.569 122.820 -0.035 0.000 2.520 14 A HA -0.030 4.288 4.320 -0.004 0.000 0.235 14 A C 0.750 178.417 177.584 0.138 0.000 1.065 14 A CA -0.135 51.942 52.037 0.066 0.000 0.764 14 A CB 0.212 19.197 19.000 -0.026 0.000 1.002 14 A HN 0.390 nan 8.150 nan 0.000 0.502 15 Q N 0.718 120.621 119.800 0.171 0.000 2.364 15 Q HA 0.297 4.635 4.340 -0.004 0.000 0.267 15 Q C -0.104 175.940 176.000 0.074 0.000 0.999 15 Q CA 0.194 56.059 55.803 0.104 0.000 0.886 15 Q CB 0.390 29.186 28.738 0.096 0.000 1.243 15 Q HN 0.684 nan 8.270 nan 0.000 0.415 16 R N 2.255 122.727 120.500 -0.047 0.000 2.575 16 R HA 0.419 4.757 4.340 -0.004 0.000 0.293 16 R C -1.416 174.768 176.300 -0.194 0.000 0.983 16 R CA -0.238 55.707 56.100 -0.258 0.000 0.887 16 R CB 1.690 31.742 30.300 -0.412 0.000 1.184 16 R HN 0.884 nan 8.270 nan 0.000 0.445 17 T N 0.132 114.568 114.554 -0.197 0.000 2.916 17 T HA 0.484 4.831 4.350 -0.004 0.000 0.292 17 T C -0.447 174.227 174.700 -0.044 0.000 1.064 17 T CA -1.102 60.944 62.100 -0.090 0.000 1.011 17 T CB 1.493 70.342 68.868 -0.032 0.000 1.152 17 T HN 0.423 nan 8.240 nan 0.000 0.510 18 N N 0.868 119.568 118.700 -0.001 0.000 2.509 18 N HA 0.619 5.357 4.740 -0.004 0.000 0.287 18 N C -0.903 174.593 175.510 -0.025 0.000 1.121 18 N CA -0.540 52.518 53.050 0.014 0.000 0.977 18 N CB 1.358 39.840 38.487 -0.009 0.000 1.167 18 N HN 0.740 nan 8.380 nan 0.000 0.476 19 M N 0.704 120.286 119.600 -0.029 0.000 2.238 19 M HA 0.276 4.754 4.480 -0.004 0.000 0.278 19 M C -1.243 175.052 176.300 -0.008 0.000 1.040 19 M CA -0.226 55.059 55.300 -0.024 0.000 0.969 19 M CB 1.344 33.918 32.600 -0.043 0.000 1.694 19 M HN 0.310 nan 8.290 nan 0.000 0.472 20 T N 3.175 117.713 114.554 -0.027 0.000 2.910 20 T HA 0.267 4.615 4.350 -0.004 0.000 0.293 20 T C -0.053 174.616 174.700 -0.052 0.000 1.015 20 T CA -0.219 61.879 62.100 -0.005 0.000 1.094 20 T CB 0.593 69.444 68.868 -0.030 0.000 0.968 20 T HN 0.903 nan 8.240 nan 0.000 0.521 21 C N 3.398 122.674 119.300 -0.040 0.000 2.550 21 C HA -0.035 4.423 4.460 -0.004 0.000 0.406 21 C C 2.004 176.820 174.990 -0.291 0.000 1.366 21 C CA 0.002 58.860 59.018 -0.266 0.000 1.712 21 C CB -1.140 26.540 27.740 -0.102 0.000 2.613 21 C HN 1.002 nan 8.230 nan 0.000 0.608 22 H N 3.004 121.574 119.070 -0.833 0.000 2.524 22 H HA -0.003 4.551 4.556 -0.004 0.000 0.282 22 H C 0.687 175.520 175.328 -0.825 0.000 1.016 22 H CA 1.359 56.866 56.048 -0.901 0.000 1.270 22 H CB 0.251 29.158 29.762 -1.426 0.000 1.394 22 H HN 0.671 nan 8.280 nan 0.000 0.568 23 F N 0.179 119.972 119.950 -0.262 0.000 2.496 23 F HA 0.070 4.595 4.527 -0.003 0.000 0.201 23 F C 1.664 177.233 175.800 -0.385 0.000 1.140 23 F CA -0.975 56.560 58.000 -0.774 0.000 0.981 23 F CB -0.945 37.150 39.000 -1.509 0.000 1.222 23 F HN 0.060 nan 8.300 nan 0.000 0.653 24 C N 1.872 121.129 119.300 -0.073 0.000 2.705 24 C HA 0.224 4.682 4.460 -0.004 0.000 0.365 24 C C 2.169 177.270 174.990 0.185 0.000 1.353 24 C CA -0.951 58.210 59.018 0.238 0.000 2.339 24 C CB -0.122 27.794 27.740 0.293 0.000 2.576 24 C HN 0.691 nan 8.230 nan 0.000 0.716 25 I N 1.835 122.529 120.570 0.207 0.000 2.300 25 I HA -0.157 4.011 4.170 -0.004 0.000 0.252 25 I C 2.068 178.298 176.117 0.188 0.000 1.119 25 I CA 1.912 63.324 61.300 0.187 0.000 1.384 25 I CB -0.345 37.765 38.000 0.183 0.000 1.062 25 I HN 0.702 nan 8.210 nan 0.000 0.426 26 V N 1.469 121.500 119.914 0.194 0.000 2.392 26 V HA -0.139 3.978 4.120 -0.004 0.000 0.249 26 V C 1.907 178.120 176.094 0.198 0.000 1.059 26 V CA 1.425 63.868 62.300 0.238 0.000 1.051 26 V CB -1.873 30.060 31.823 0.183 0.000 0.658 26 V HN 0.768 nan 8.190 nan 0.000 0.455 27 G N -0.599 108.282 108.800 0.135 0.000 2.246 27 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.273 27 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.273 27 G C 0.141 175.100 174.900 0.099 0.000 1.055 27 G CA 0.019 45.175 45.100 0.092 0.000 0.851 27 G HN 0.538 nan 8.290 nan 0.000 0.500 28 C N 0.197 119.577 119.300 0.134 0.000 2.597 28 C HA 0.474 4.932 4.460 -0.004 0.000 0.412 28 C C 1.683 176.750 174.990 0.129 0.000 1.348 28 C CA 0.419 59.507 59.018 0.117 0.000 1.769 28 C CB -0.033 27.799 27.740 0.153 0.000 2.641 28 C HN 0.999 nan 8.230 nan 0.000 0.612 29 G N 1.969 110.762 108.800 -0.011 0.000 2.372 29 G HA2 0.543 4.501 3.960 -0.004 0.000 0.283 29 G HA3 0.543 4.501 3.960 -0.004 0.000 0.283 29 G C -1.210 173.573 174.900 -0.194 0.000 1.177 29 G CA -0.052 45.015 45.100 -0.055 0.000 0.842 29 G HN 0.744 nan 8.290 nan 0.000 0.503 30 Y N -0.624 119.532 120.300 -0.239 0.000 2.634 30 Y HA 0.481 5.029 4.550 -0.003 0.000 0.340 30 Y C 0.132 175.821 175.900 -0.353 0.000 1.058 30 Y CA -0.816 57.131 58.100 -0.254 0.000 1.081 30 Y CB 2.474 40.836 38.460 -0.163 0.000 1.295 30 Y HN 0.608 nan 8.280 nan 0.000 0.487 31 H N -0.350 118.724 119.070 0.006 0.000 2.572 31 H HA 0.660 5.214 4.556 -0.004 0.000 0.359 31 H C -1.374 173.793 175.328 -0.269 0.000 1.134 31 H CA -1.070 54.852 56.048 -0.209 0.000 1.187 31 H CB 1.960 31.505 29.762 -0.362 0.000 1.597 31 H HN 0.233 nan 8.280 nan 0.000 0.524 32 V N 3.885 123.640 119.914 -0.264 0.000 2.378 32 V HA 0.168 4.286 4.120 -0.004 0.000 0.288 32 V C -0.945 174.905 176.094 -0.407 0.000 1.016 32 V CA -0.725 61.342 62.300 -0.389 0.000 0.840 32 V CB 0.321 31.702 31.823 -0.737 0.000 0.994 32 V HN 0.635 nan 8.190 nan 0.000 0.431 33 Y N 3.568 123.859 120.300 -0.015 0.000 2.323 33 Y HA 0.603 5.151 4.550 -0.004 0.000 0.331 33 Y C 0.334 176.387 175.900 0.254 0.000 1.092 33 Y CA -0.378 57.797 58.100 0.124 0.000 1.150 33 Y CB 1.477 40.042 38.460 0.175 0.000 1.200 33 Y HN 0.475 nan 8.280 nan 0.000 0.472 34 K N 4.318 124.982 120.400 0.440 0.000 2.468 34 K HA 0.524 4.841 4.320 -0.004 0.000 0.252 34 K C -1.977 174.962 176.600 0.564 0.000 0.932 34 K CA -0.613 55.885 56.287 0.350 0.000 0.794 34 K CB 1.798 34.376 32.500 0.129 0.000 1.241 34 K HN 0.818 nan 8.250 nan 0.000 0.428 35 W N 1.629 123.063 121.300 0.224 0.000 3.146 35 W HA 0.487 5.145 4.660 -0.003 0.000 0.319 35 W C -3.156 173.540 176.519 0.296 0.000 1.258 35 W CA -2.221 55.268 57.345 0.240 0.000 1.189 35 W CB -0.051 29.482 29.460 0.121 0.000 1.412 35 W HN 0.321 nan 8.180 nan 0.000 0.567 36 P HA -0.060 nan 4.420 nan 0.000 0.266 36 P C 0.888 178.083 177.300 -0.174 0.000 1.195 36 P CA 0.419 63.480 63.100 -0.066 0.000 0.768 36 P CB 0.924 32.631 31.700 0.012 0.000 0.838 37 E N 2.485 122.506 120.200 -0.298 0.000 2.114 37 E HA -0.202 4.146 4.350 -0.004 0.000 0.199 37 E C 0.945 177.480 176.600 -0.108 0.000 1.008 37 E CA 1.296 57.550 56.400 -0.244 0.000 0.810 37 E CB -0.238 29.336 29.700 -0.211 0.000 0.739 37 E HN 0.426 nan 8.360 nan 0.000 0.456 38 L N 0.758 121.946 121.223 -0.059 0.000 2.627 38 L HA 0.153 4.491 4.340 -0.004 0.000 0.232 38 L C 0.416 177.327 176.870 0.068 0.000 1.150 38 L CA 0.071 54.910 54.840 -0.001 0.000 0.917 38 L CB -0.069 41.979 42.059 -0.018 0.000 1.104 38 L HN 0.043 nan 8.230 nan 0.000 0.445 39 E N 0.804 121.100 120.200 0.160 0.000 2.235 39 E HA 0.477 4.825 4.350 -0.004 0.000 0.265 39 E C -0.524 176.297 176.600 0.368 0.000 0.940 39 E CA -0.582 55.959 56.400 0.235 0.000 0.819 39 E CB 1.950 31.825 29.700 0.291 0.000 1.206 39 E HN 0.168 nan 8.360 nan 0.000 0.409 40 E N -0.088 120.211 120.200 0.165 0.000 2.390 40 E HA 0.474 4.822 4.350 -0.004 0.000 0.280 40 E C -0.818 175.714 176.600 -0.114 0.000 0.992 40 E CA -1.088 55.354 56.400 0.070 0.000 0.790 40 E CB 1.052 30.815 29.700 0.104 0.000 1.248 40 E HN 0.515 nan 8.360 nan 0.000 0.447 41 G N 0.591 109.238 108.800 -0.255 0.000 2.572 41 G HA2 0.514 4.472 3.960 -0.004 0.000 0.261 41 G HA3 0.514 4.472 3.960 -0.004 0.000 0.261 41 G C 0.187 174.998 174.900 -0.147 0.000 1.197 41 G CA -0.222 44.736 45.100 -0.237 0.000 0.870 41 G HN 0.574 nan 8.290 nan 0.000 0.548 42 G N -1.081 107.654 108.800 -0.108 0.000 2.477 42 G HA2 0.395 4.353 3.960 -0.004 0.000 0.304 42 G HA3 0.395 4.353 3.960 -0.004 0.000 0.304 42 G C 0.780 175.660 174.900 -0.033 0.000 1.175 42 G CA -0.664 44.399 45.100 -0.062 0.000 0.907 42 G HN 0.557 nan 8.290 nan 0.000 0.509 43 R N 0.209 120.713 120.500 0.006 0.000 2.148 43 R HA 0.079 4.417 4.340 -0.004 0.000 0.223 43 R C 1.635 178.006 176.300 0.119 0.000 1.088 43 R CA 0.685 56.845 56.100 0.100 0.000 0.985 43 R CB -0.154 30.205 30.300 0.099 0.000 0.880 43 R HN 0.534 nan 8.270 nan 0.000 0.451 44 A N 2.457 125.304 122.820 0.044 0.000 2.540 44 A HA 0.077 4.395 4.320 -0.004 0.000 0.239 44 A C -1.449 176.146 177.584 0.018 0.000 1.061 44 A CA -1.063 50.986 52.037 0.019 0.000 0.758 44 A CB 0.113 19.112 19.000 -0.002 0.000 0.991 44 A HN 0.040 nan 8.150 nan 0.000 0.502 45 P HA -0.171 nan 4.420 nan 0.000 0.218 45 P C 0.656 177.940 177.300 -0.027 0.000 1.148 45 P CA 1.275 64.364 63.100 -0.019 0.000 0.822 45 P CB 0.229 31.899 31.700 -0.049 0.000 0.784 46 E N -0.436 119.746 120.200 -0.029 0.000 2.489 46 E HA -0.010 4.338 4.350 -0.004 0.000 0.193 46 E C 1.563 178.137 176.600 -0.043 0.000 1.057 46 E CA 0.431 56.810 56.400 -0.035 0.000 0.866 46 E CB -0.032 29.650 29.700 -0.030 0.000 0.916 46 E HN 0.532 nan 8.360 nan 0.000 0.500 47 Q N 0.701 120.476 119.800 -0.042 0.000 2.247 47 Q HA 0.076 4.414 4.340 -0.004 0.000 0.204 47 Q C -0.266 175.676 176.000 -0.096 0.000 0.872 47 Q CA -0.104 55.664 55.803 -0.059 0.000 0.951 47 Q CB 0.177 28.889 28.738 -0.044 0.000 1.099 47 Q HN 0.214 nan 8.270 nan 0.000 0.501 48 N N -2.593 116.046 118.700 -0.101 0.000 2.357 48 N HA 0.437 5.175 4.740 -0.004 0.000 0.284 48 N C -0.057 175.330 175.510 -0.205 0.000 1.236 48 N CA -0.425 52.517 53.050 -0.180 0.000 0.774 48 N CB 1.018 39.417 38.487 -0.145 0.000 1.534 48 N HN -0.137 nan 8.380 nan 0.000 0.478 49 A N 0.438 123.051 122.820 -0.345 0.000 2.121 49 A HA 0.065 4.383 4.320 -0.004 0.000 0.218 49 A C 1.504 178.905 177.584 -0.305 0.000 1.154 49 A CA 0.646 52.475 52.037 -0.346 0.000 0.679 49 A CB -0.832 17.849 19.000 -0.532 0.000 0.795 49 A HN 0.684 nan 8.150 nan 0.000 0.458 50 L N -1.324 119.725 121.223 -0.291 0.000 2.395 50 L HA 0.094 4.432 4.340 -0.004 0.000 0.218 50 L C 1.809 178.651 176.870 -0.047 0.000 1.130 50 L CA 0.600 55.362 54.840 -0.131 0.000 0.826 50 L CB -0.521 41.523 42.059 -0.025 0.000 0.941 50 L HN 0.549 nan 8.230 nan 0.000 0.451 51 G N 0.947 109.715 108.800 -0.053 0.000 2.179 51 G HA2 -0.283 3.675 3.960 -0.004 0.000 0.257 51 G HA3 -0.283 3.675 3.960 -0.004 0.000 0.257 51 G C 0.064 174.927 174.900 -0.062 0.000 1.010 51 G CA 0.075 45.148 45.100 -0.046 0.000 0.736 51 G HN 0.250 nan 8.290 nan 0.000 0.513 52 L N -0.019 121.163 121.223 -0.068 0.000 2.331 52 L HA 0.492 4.830 4.340 -0.004 0.000 0.275 52 L C -0.134 176.573 176.870 -0.273 0.000 1.022 52 L CA -1.054 53.646 54.840 -0.234 0.000 0.812 52 L CB 1.526 43.328 42.059 -0.429 0.000 1.257 52 L HN 0.033 nan 8.230 nan 0.000 0.435 53 D N 1.840 122.048 120.400 -0.321 0.000 2.422 53 D HA 0.146 4.784 4.640 -0.004 0.000 0.227 53 D C 0.062 176.187 176.300 -0.293 0.000 1.190 53 D CA -0.060 53.815 54.000 -0.208 0.000 0.905 53 D CB 0.391 41.110 40.800 -0.135 0.000 1.034 53 D HN 0.220 nan 8.370 nan 0.000 0.507 54 F N 1.995 121.919 119.950 -0.043 0.000 2.664 54 F HA 0.236 4.761 4.527 -0.004 0.000 0.301 54 F C 2.026 177.809 175.800 -0.030 0.000 1.126 54 F CA -0.218 57.760 58.000 -0.036 0.000 1.373 54 F CB 0.231 39.206 39.000 -0.041 0.000 1.042 54 F HN 0.189 nan 8.300 nan 0.000 0.535 55 R N 0.925 121.471 120.500 0.078 0.000 2.275 55 R HA 0.051 4.388 4.340 -0.004 0.000 0.199 55 R C 0.283 176.599 176.300 0.026 0.000 0.989 55 R CA 0.574 56.703 56.100 0.048 0.000 1.016 55 R CB 0.054 30.366 30.300 0.021 0.000 0.918 55 R HN 0.282 nan 8.270 nan 0.000 0.473 56 K N -0.729 119.674 120.400 0.006 0.000 2.555 56 K HA 0.212 4.530 4.320 -0.004 0.000 0.279 56 K C -1.231 175.356 176.600 -0.020 0.000 0.986 56 K CA -1.130 55.155 56.287 -0.005 0.000 0.880 56 K CB 1.014 33.502 32.500 -0.019 0.000 1.474 56 K HN -0.363 nan 8.250 nan 0.000 0.433 57 Q N 1.525 121.318 119.800 -0.013 0.000 2.304 57 Q HA 0.045 4.383 4.340 -0.004 0.000 0.315 57 Q C -0.979 174.984 176.000 -0.061 0.000 1.075 57 Q CA 0.552 56.344 55.803 -0.020 0.000 0.988 57 Q CB 0.301 29.033 28.738 -0.011 0.000 1.146 57 Q HN 0.584 nan 8.270 nan 0.000 0.383 58 L N 7.020 128.192 121.223 -0.085 0.000 2.395 58 L HA 0.470 4.808 4.340 -0.004 0.000 0.269 58 L C -1.631 175.193 176.870 -0.077 0.000 1.133 58 L CA -1.978 52.785 54.840 -0.129 0.000 0.812 58 L CB 0.838 42.782 42.059 -0.191 0.000 1.125 58 L HN 0.770 nan 8.230 nan 0.000 0.452 59 P HA 0.246 nan 4.420 nan 0.000 0.276 59 P C -2.661 174.613 177.300 -0.044 0.000 1.261 59 P CA -1.421 61.649 63.100 -0.051 0.000 0.800 59 P CB -0.202 31.467 31.700 -0.051 0.000 1.066 60 P HA 0.061 nan 4.420 nan 0.000 0.267 60 P C 0.729 178.012 177.300 -0.028 0.000 1.200 60 P CA 0.148 63.234 63.100 -0.022 0.000 0.772 60 P CB 0.318 32.010 31.700 -0.014 0.000 0.855 61 L N -1.016 120.193 121.223 -0.024 0.000 5.051 61 L HA -0.329 4.009 4.340 -0.004 0.000 0.432 61 L C 1.646 178.495 176.870 -0.036 0.000 1.055 61 L CA 0.975 55.799 54.840 -0.027 0.000 1.095 61 L CB -2.221 39.821 42.059 -0.028 0.000 1.957 61 L HN 0.456 nan 8.230 nan 0.000 0.727 62 A N -0.686 122.107 122.820 -0.045 0.000 2.066 62 A HA 0.358 4.675 4.320 -0.004 0.000 0.218 62 A C 0.879 178.430 177.584 -0.054 0.000 1.157 62 A CA 1.769 53.768 52.037 -0.063 0.000 0.670 62 A CB 0.347 19.289 19.000 -0.097 0.000 0.804 62 A HN 0.339 nan 8.150 nan 0.000 0.453 63 V N -2.163 117.732 119.914 -0.032 0.000 3.225 63 V HA 0.491 4.609 4.120 -0.004 0.000 0.293 63 V C -1.619 174.483 176.094 0.014 0.000 1.405 63 V CA -0.405 61.893 62.300 -0.003 0.000 1.038 63 V CB 2.271 34.103 31.823 0.015 0.000 1.123 63 V HN 0.073 nan 8.190 nan 0.000 0.447 64 T N 5.626 120.197 114.554 0.027 0.000 2.864 64 T HA 0.736 5.084 4.350 -0.004 0.000 0.310 64 T C -1.218 173.519 174.700 0.063 0.000 1.040 64 T CA -0.135 61.985 62.100 0.032 0.000 0.977 64 T CB 0.812 69.687 68.868 0.013 0.000 0.976 64 T HN 0.807 nan 8.240 nan 0.000 0.459 65 L N 4.007 125.272 121.223 0.070 0.000 2.614 65 L HA 0.724 5.062 4.340 -0.004 0.000 0.264 65 L C -0.521 176.386 176.870 0.063 0.000 0.940 65 L CA -0.006 54.884 54.840 0.083 0.000 0.903 65 L CB 1.853 43.984 42.059 0.121 0.000 1.306 65 L HN 0.762 nan 8.230 nan 0.000 0.410 66 T N 1.401 115.983 114.554 0.046 0.000 2.841 66 T HA 0.619 4.967 4.350 -0.004 0.000 0.296 66 T C -2.580 172.130 174.700 0.017 0.000 1.166 66 T CA -1.536 60.580 62.100 0.027 0.000 1.007 66 T CB 1.722 70.599 68.868 0.015 0.000 1.253 66 T HN 0.283 nan 8.240 nan 0.000 0.511 67 P HA 0.022 nan 4.420 nan 0.000 0.218 67 P C 1.606 178.898 177.300 -0.012 0.000 1.148 67 P CA 1.479 64.578 63.100 -0.002 0.000 0.822 67 P CB -0.279 31.418 31.700 -0.005 0.000 0.784 68 A N -0.973 121.833 122.820 -0.024 0.000 2.125 68 A HA -0.133 4.185 4.320 -0.004 0.000 0.219 68 A C 1.795 179.341 177.584 -0.062 0.000 1.156 68 A CA 1.279 53.282 52.037 -0.056 0.000 0.671 68 A CB -1.236 17.716 19.000 -0.079 0.000 0.794 68 A HN 0.192 nan 8.150 nan 0.000 0.459 69 M N 0.510 120.099 119.600 -0.019 0.000 2.530 69 M HA 0.085 4.563 4.480 -0.004 0.000 0.231 69 M C 0.326 176.640 176.300 0.024 0.000 1.180 69 M CA 0.518 55.820 55.300 0.003 0.000 0.985 69 M CB -0.236 32.395 32.600 0.051 0.000 1.623 69 M HN 0.459 nan 8.290 nan 0.000 0.475 70 T N -2.415 112.142 114.554 0.006 0.000 2.906 70 T HA 0.676 5.024 4.350 -0.004 0.000 0.295 70 T C -0.671 174.017 174.700 -0.020 0.000 1.075 70 T CA -0.805 61.302 62.100 0.012 0.000 1.005 70 T CB 2.849 71.733 68.868 0.026 0.000 1.136 70 T HN 0.076 nan 8.240 nan 0.000 0.498 71 N N -0.535 118.140 118.700 -0.041 0.000 3.179 71 N HA 0.557 5.295 4.740 -0.004 0.000 0.250 71 N C -2.088 173.368 175.510 -0.089 0.000 1.507 71 N CA -0.500 52.522 53.050 -0.046 0.000 0.883 71 N CB 2.218 40.698 38.487 -0.011 0.000 1.435 71 N HN 0.623 nan 8.380 nan 0.000 0.532 72 V N 1.526 121.394 119.914 -0.076 0.000 2.482 72 V HA 0.434 4.552 4.120 -0.004 0.000 0.295 72 V C -0.037 176.030 176.094 -0.046 0.000 1.026 72 V CA -0.798 61.445 62.300 -0.095 0.000 0.856 72 V CB 1.378 33.134 31.823 -0.112 0.000 1.001 72 V HN 0.490 nan 8.190 nan 0.000 0.424 73 V N 2.177 122.096 119.914 0.009 0.000 2.834 73 V HA 0.824 4.942 4.120 -0.004 0.000 0.313 73 V C -0.020 176.120 176.094 0.077 0.000 1.060 73 V CA -0.272 62.055 62.300 0.045 0.000 0.989 73 V CB 1.913 33.804 31.823 0.112 0.000 1.041 73 V HN 0.755 nan 8.190 nan 0.000 0.459 74 T N 2.959 117.559 114.554 0.076 0.000 2.809 74 T HA 0.442 4.790 4.350 -0.004 0.000 0.284 74 T C -0.396 174.389 174.700 0.142 0.000 0.992 74 T CA -0.351 61.809 62.100 0.100 0.000 0.957 74 T CB 1.135 70.040 68.868 0.062 0.000 0.942 74 T HN 0.857 nan 8.240 nan 0.000 0.439 75 E N 1.231 121.531 120.200 0.166 0.000 2.351 75 E HA 0.175 4.523 4.350 -0.004 0.000 0.255 75 E C 1.083 177.779 176.600 0.160 0.000 1.188 75 E CA -0.287 56.179 56.400 0.110 0.000 0.940 75 E CB 0.641 30.429 29.700 0.145 0.000 1.094 75 E HN 0.711 nan 8.360 nan 0.000 0.474 76 H N 0.188 119.302 119.070 0.073 0.000 2.456 76 H HA -0.135 4.419 4.556 -0.003 0.000 0.296 76 H C 0.899 176.261 175.328 0.056 0.000 1.079 76 H CA 1.061 57.142 56.048 0.055 0.000 1.322 76 H CB 0.315 30.096 29.762 0.032 0.000 1.388 76 H HN 0.402 nan 8.280 nan 0.000 0.538 77 D N -0.817 119.697 120.400 0.191 0.000 2.336 77 D HA 0.039 4.677 4.640 -0.004 0.000 0.229 77 D C 1.661 178.024 176.300 0.104 0.000 1.061 77 D CA 0.667 54.744 54.000 0.128 0.000 0.875 77 D CB -0.124 40.745 40.800 0.116 0.000 0.904 77 D HN 0.413 nan 8.370 nan 0.000 0.525 78 G N -0.615 108.252 108.800 0.112 0.000 2.205 78 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.261 78 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.261 78 G C 0.534 175.463 174.900 0.047 0.000 0.980 78 G CA 0.191 45.337 45.100 0.076 0.000 0.632 78 G HN 0.873 nan 8.290 nan 0.000 0.533 79 A N 0.092 122.951 122.820 0.065 0.000 2.388 79 A HA 0.760 5.078 4.320 -0.004 0.000 0.257 79 A C 0.637 178.167 177.584 -0.091 0.000 1.095 79 A CA 0.110 52.123 52.037 -0.040 0.000 0.791 79 A CB 0.370 19.366 19.000 -0.006 0.000 1.029 79 A HN 0.513 nan 8.150 nan 0.000 0.489 80 R N 0.368 120.695 120.500 -0.287 0.000 2.460 80 R HA 0.562 4.900 4.340 -0.004 0.000 0.303 80 R C -1.810 174.182 176.300 -0.512 0.000 0.968 80 R CA -0.167 55.794 56.100 -0.232 0.000 0.889 80 R CB 1.391 31.597 30.300 -0.158 0.000 1.123 80 R HN 0.735 nan 8.270 nan 0.000 0.455 81 Y N 0.339 120.576 120.300 -0.105 0.000 2.421 81 Y HA 0.185 4.733 4.550 -0.003 0.000 0.339 81 Y C -0.157 175.551 175.900 -0.320 0.000 0.996 81 Y CA -1.004 56.988 58.100 -0.180 0.000 1.046 81 Y CB 1.852 40.263 38.460 -0.082 0.000 1.226 81 Y HN 0.439 nan 8.280 nan 0.000 0.445 82 D N 4.196 124.285 120.400 -0.519 0.000 2.414 82 D HA 0.312 4.950 4.640 -0.004 0.000 0.242 82 D C -0.203 175.663 176.300 -0.723 0.000 1.129 82 D CA 0.533 54.014 54.000 -0.866 0.000 0.885 82 D CB 1.136 40.772 40.800 -1.940 0.000 1.198 82 D HN 0.585 nan 8.370 nan 0.000 0.437 83 I N -1.719 118.611 120.570 -0.400 0.000 2.828 83 I HA 0.630 4.798 4.170 -0.004 0.000 0.302 83 I C -0.891 175.230 176.117 0.007 0.000 1.101 83 I CA -1.053 60.168 61.300 -0.131 0.000 1.031 83 I CB 2.563 40.550 38.000 -0.021 0.000 1.231 83 I HN 0.179 nan 8.210 nan 0.000 0.427 84 M N 5.351 125.070 119.600 0.199 0.000 2.238 84 M HA 0.568 5.045 4.480 -0.004 0.000 0.278 84 M C -2.229 174.186 176.300 0.193 0.000 1.040 84 M CA -0.522 54.929 55.300 0.253 0.000 0.969 84 M CB 2.097 34.959 32.600 0.438 0.000 1.694 84 M HN 0.536 nan 8.290 nan 0.000 0.472 85 V N 6.118 126.093 119.914 0.101 0.000 2.326 85 V HA 0.638 4.756 4.120 -0.004 0.000 0.281 85 V C -0.540 175.684 176.094 0.216 0.000 1.015 85 V CA -0.574 61.764 62.300 0.064 0.000 0.823 85 V CB 1.257 33.024 31.823 -0.094 0.000 1.009 85 V HN 0.693 nan 8.190 nan 0.000 0.436 86 V N 3.678 123.773 119.914 0.302 0.000 2.962 86 V HA 0.781 4.899 4.120 -0.004 0.000 0.313 86 V C -2.677 173.453 176.094 0.059 0.000 1.099 86 V CA -2.701 59.752 62.300 0.255 0.000 0.971 86 V CB 2.410 34.365 31.823 0.220 0.000 1.028 86 V HN 0.567 nan 8.190 nan 0.000 0.430 87 P HA 0.137 nan 4.420 nan 0.000 0.272 87 P C -1.026 176.069 177.300 -0.341 0.000 1.223 87 P CA 0.288 62.952 63.100 -0.727 0.000 0.784 87 P CB 0.777 32.066 31.700 -0.685 0.000 0.923 88 D N 1.848 121.999 120.400 -0.414 0.000 2.347 88 D HA 0.077 4.715 4.640 -0.004 0.000 0.235 88 D C 1.064 177.265 176.300 -0.166 0.000 1.149 88 D CA -0.253 53.554 54.000 -0.321 0.000 0.850 88 D CB 0.521 41.004 40.800 -0.529 0.000 1.061 88 D HN 0.159 nan 8.370 nan 0.000 0.487 89 K N 2.348 122.709 120.400 -0.066 0.000 2.209 89 K HA -0.088 4.230 4.320 -0.004 0.000 0.204 89 K C 1.362 177.940 176.600 -0.036 0.000 1.048 89 K CA 1.091 57.350 56.287 -0.047 0.000 0.940 89 K CB 0.169 32.660 32.500 -0.015 0.000 0.729 89 K HN 0.419 nan 8.250 nan 0.000 0.451 90 A N 0.496 123.303 122.820 -0.021 0.000 2.275 90 A HA 0.013 4.331 4.320 -0.004 0.000 0.212 90 A C 0.635 178.206 177.584 -0.021 0.000 1.201 90 A CA -0.246 51.785 52.037 -0.010 0.000 0.843 90 A CB -0.205 18.806 19.000 0.018 0.000 0.873 90 A HN 0.376 nan 8.150 nan 0.000 0.492 91 C N 1.108 120.378 119.300 -0.051 0.000 2.576 91 C HA 0.354 4.812 4.460 -0.004 0.000 0.401 91 C C 2.181 177.170 174.990 -0.002 0.000 1.314 91 C CA -0.008 58.985 59.018 -0.043 0.000 1.855 91 C CB -0.308 27.382 27.740 -0.084 0.000 2.537 91 C HN 0.731 nan 8.230 nan 0.000 0.578 92 V N 5.471 125.400 119.914 0.025 0.000 2.759 92 V HA -0.066 4.052 4.120 -0.004 0.000 0.256 92 V C 1.835 178.029 176.094 0.166 0.000 1.080 92 V CA 1.952 64.298 62.300 0.076 0.000 1.101 92 V CB -1.165 30.700 31.823 0.071 0.000 0.698 92 V HN 0.779 nan 8.190 nan 0.000 0.477 93 V N 3.233 123.234 119.914 0.144 0.000 2.261 93 V HA -0.194 3.924 4.120 -0.004 0.000 0.246 93 V C 2.477 178.744 176.094 0.288 0.000 1.047 93 V CA 2.625 65.082 62.300 0.261 0.000 1.015 93 V CB -0.904 31.012 31.823 0.155 0.000 0.642 93 V HN 0.895 nan 8.190 nan 0.000 0.446 94 N N -1.892 116.872 118.700 0.106 0.000 2.227 94 N HA -0.008 4.730 4.740 -0.004 0.000 0.196 94 N C 0.598 176.086 175.510 -0.036 0.000 1.142 94 N CA 0.770 53.841 53.050 0.034 0.000 0.887 94 N CB 0.726 39.201 38.487 -0.020 0.000 1.022 94 N HN 0.318 nan 8.380 nan 0.000 0.500 95 S N 0.008 115.686 115.700 -0.037 0.000 3.549 95 S HA -0.070 4.397 4.470 -0.004 0.000 0.366 95 S C 1.128 175.684 174.600 -0.075 0.000 1.012 95 S CA 1.140 59.307 58.200 -0.055 0.000 1.141 95 S CB -1.848 61.313 63.200 -0.063 0.000 0.910 95 S HN 1.116 nan 8.310 nan 0.000 0.471 96 G N -1.107 107.628 108.800 -0.108 0.000 2.175 96 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.244 96 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.244 96 G C -0.001 174.814 174.900 -0.142 0.000 0.982 96 G CA 0.164 45.186 45.100 -0.129 0.000 0.641 96 G HN 0.664 nan 8.290 nan 0.000 0.527 97 L N 1.010 122.160 121.223 -0.121 0.000 2.395 97 L HA 0.661 4.999 4.340 -0.004 0.000 0.269 97 L C 0.653 177.443 176.870 -0.132 0.000 1.133 97 L CA -0.102 54.682 54.840 -0.092 0.000 0.812 97 L CB 1.730 43.761 42.059 -0.046 0.000 1.125 97 L HN 0.210 nan 8.230 nan 0.000 0.452 98 S N 1.078 116.738 115.700 -0.068 0.000 2.594 98 S HA 0.465 4.933 4.470 -0.004 0.000 0.296 98 S C -0.317 174.318 174.600 0.057 0.000 1.124 98 S CA -0.722 57.489 58.200 0.018 0.000 1.011 98 S CB 1.484 64.713 63.200 0.048 0.000 1.016 98 S HN 0.697 nan 8.310 nan 0.000 0.485 99 S N 3.066 118.818 115.700 0.087 0.000 2.655 99 S HA 0.256 4.724 4.470 -0.004 0.000 0.265 99 S C 1.288 175.911 174.600 0.039 0.000 1.240 99 S CA 0.246 58.465 58.200 0.031 0.000 0.986 99 S CB 0.675 63.884 63.200 0.016 0.000 0.985 99 S HN 0.769 nan 8.310 nan 0.000 0.562 100 T N -0.017 114.540 114.554 0.005 0.000 2.962 100 T HA -0.025 4.323 4.350 -0.004 0.000 0.270 100 T C 1.791 176.490 174.700 -0.002 0.000 1.088 100 T CA 1.320 63.424 62.100 0.007 0.000 1.127 100 T CB -0.435 68.439 68.868 0.010 0.000 0.883 100 T HN 0.659 nan 8.240 nan 0.000 0.493 101 R N -0.272 120.231 120.500 0.006 0.000 2.057 101 R HA 0.161 4.499 4.340 -0.004 0.000 0.224 101 R C 2.879 179.213 176.300 0.057 0.000 1.136 101 R CA 1.111 57.185 56.100 -0.043 0.000 0.968 101 R CB -0.694 29.560 30.300 -0.077 0.000 0.863 101 R HN 0.358 nan 8.270 nan 0.000 0.433 102 G N 0.145 109.024 108.800 0.132 0.000 2.422 102 G HA2 -0.173 3.785 3.960 -0.004 0.000 0.218 102 G HA3 -0.173 3.785 3.960 -0.004 0.000 0.218 102 G C 1.443 176.309 174.900 -0.057 0.000 1.140 102 G CA 0.678 45.802 45.100 0.039 0.000 0.775 102 G HN 0.443 nan 8.290 nan 0.000 0.545 103 G N 0.537 109.373 108.800 0.060 0.000 2.470 103 G HA2 -0.124 3.834 3.960 -0.004 0.000 0.220 103 G HA3 -0.124 3.834 3.960 -0.004 0.000 0.220 103 G C 1.640 176.492 174.900 -0.080 0.000 1.121 103 G CA 0.657 45.789 45.100 0.052 0.000 0.766 103 G HN 0.479 nan 8.290 nan 0.000 0.553 104 K N -0.361 119.938 120.400 -0.169 0.000 2.444 104 K HA 0.281 4.598 4.320 -0.004 0.000 0.193 104 K C 2.283 178.633 176.600 -0.416 0.000 1.024 104 K CA -0.278 55.773 56.287 -0.393 0.000 1.077 104 K CB -0.036 32.039 32.500 -0.709 0.000 0.833 104 K HN 0.275 nan 8.250 nan 0.000 0.517 105 M N 0.547 119.991 119.600 -0.260 0.000 2.089 105 M HA -0.255 4.222 4.480 -0.004 0.000 0.257 105 M C 2.388 178.569 176.300 -0.199 0.000 1.071 105 M CA 1.920 57.044 55.300 -0.292 0.000 1.096 105 M CB -0.465 31.805 32.600 -0.550 0.000 1.330 105 M HN 0.264 nan 8.290 nan 0.000 0.403 106 A N -0.636 122.088 122.820 -0.160 0.000 1.940 106 A HA -0.148 4.170 4.320 -0.004 0.000 0.219 106 A C 2.229 179.789 177.584 -0.039 0.000 1.176 106 A CA 2.168 54.166 52.037 -0.065 0.000 0.631 106 A CB -0.714 18.260 19.000 -0.044 0.000 0.814 106 A HN 0.486 nan 8.150 nan 0.000 0.446 107 S N -1.377 114.247 115.700 -0.126 0.000 2.428 107 S HA -0.047 4.421 4.470 -0.004 0.000 0.230 107 S C 1.228 175.895 174.600 0.111 0.000 1.014 107 S CA 0.808 58.958 58.200 -0.083 0.000 0.957 107 S CB -0.348 62.718 63.200 -0.224 0.000 0.784 107 S HN 0.668 nan 8.310 nan 0.000 0.499 108 Y N 0.756 121.024 120.300 -0.054 0.000 2.466 108 Y HA 0.368 4.916 4.550 -0.004 0.000 0.272 108 Y C 0.770 176.714 175.900 0.074 0.000 1.169 108 Y CA -0.896 57.129 58.100 -0.126 0.000 1.285 108 Y CB -0.644 37.515 38.460 -0.501 0.000 1.078 108 Y HN 0.189 nan 8.280 nan 0.000 0.523 109 M N -0.587 119.174 119.600 0.268 0.000 2.226 109 M HA 0.014 4.492 4.480 -0.004 0.000 0.324 109 M C -0.074 176.387 176.300 0.269 0.000 1.112 109 M CA -0.837 54.679 55.300 0.360 0.000 1.176 109 M CB -0.077 32.702 32.600 0.298 0.000 1.430 109 M HN 0.230 nan 8.290 nan 0.000 0.462 110 Y N 1.936 122.331 120.300 0.158 0.000 2.526 110 Y HA 0.285 4.833 4.550 -0.004 0.000 0.330 110 Y C 0.205 176.144 175.900 0.065 0.000 1.156 110 Y CA 0.016 58.158 58.100 0.070 0.000 1.419 110 Y CB 0.382 38.832 38.460 -0.017 0.000 1.250 110 Y HN 0.711 nan 8.280 nan 0.000 0.540 111 T N 4.291 118.247 114.554 -0.998 0.000 2.894 111 T HA 0.378 4.726 4.350 -0.004 0.000 0.309 111 T C -2.541 171.571 174.700 -0.981 0.000 1.208 111 T CA -1.991 59.614 62.100 -0.825 0.000 1.016 111 T CB 2.101 70.784 68.868 -0.310 0.000 1.192 111 T HN 0.302 nan 8.240 nan 0.000 0.491 112 P HA 0.046 nan 4.420 nan 0.000 0.226 112 P C 1.208 178.434 177.300 -0.123 0.000 1.153 112 P CA 0.995 63.967 63.100 -0.213 0.000 0.777 112 P CB -0.109 31.574 31.700 -0.029 0.000 0.794 113 T N -5.809 108.664 114.554 -0.136 0.000 3.043 113 T HA 0.408 4.756 4.350 -0.004 0.000 0.272 113 T C 1.036 175.700 174.700 -0.059 0.000 0.990 113 T CA 0.051 62.109 62.100 -0.071 0.000 0.897 113 T CB -0.047 68.791 68.868 -0.050 0.000 1.111 113 T HN 0.001 nan 8.240 nan 0.000 0.529 114 G N 0.920 109.668 108.800 -0.087 0.000 2.736 114 G HA2 0.401 4.359 3.960 -0.004 0.000 0.229 114 G HA3 0.401 4.359 3.960 -0.004 0.000 0.229 114 G C 0.118 175.022 174.900 0.007 0.000 1.380 114 G CA -0.317 44.765 45.100 -0.031 0.000 1.040 114 G HN 0.070 nan 8.290 nan 0.000 0.568 115 D N -0.121 120.331 120.400 0.087 0.000 2.221 115 D HA -0.058 4.580 4.640 -0.004 0.000 0.204 115 D C 2.280 178.641 176.300 0.102 0.000 0.982 115 D CA 1.321 55.417 54.000 0.160 0.000 0.857 115 D CB -0.263 40.745 40.800 0.347 0.000 0.934 115 D HN 0.374 nan 8.370 nan 0.000 0.475 116 G N 0.400 109.273 108.800 0.122 0.000 3.088 116 G HA2 -0.120 3.838 3.960 -0.004 0.000 0.212 116 G HA3 -0.120 3.838 3.960 -0.004 0.000 0.212 116 G C 1.345 176.338 174.900 0.154 0.000 1.173 116 G CA -0.109 45.126 45.100 0.225 0.000 0.779 116 G HN 0.199 nan 8.290 nan 0.000 0.540 117 K N 0.840 121.230 120.400 -0.017 0.000 2.107 117 K HA -0.176 4.142 4.320 -0.004 0.000 0.211 117 K C 1.357 177.995 176.600 0.063 0.000 1.049 117 K CA 1.433 57.724 56.287 0.007 0.000 0.927 117 K CB 0.067 32.536 32.500 -0.051 0.000 0.714 117 K HN 0.162 nan 8.250 nan 0.000 0.452 118 E N 1.046 121.197 120.200 -0.082 0.000 2.445 118 E HA 0.012 4.360 4.350 -0.004 0.000 0.189 118 E C -0.066 176.593 176.600 0.098 0.000 1.069 118 E CA 0.015 56.390 56.400 -0.041 0.000 0.871 118 E CB 0.105 29.692 29.700 -0.187 0.000 0.991 118 E HN 0.185 nan 8.360 nan 0.000 0.481 119 R N 0.743 121.298 120.500 0.091 0.000 2.638 119 R HA 0.060 4.398 4.340 -0.004 0.000 0.268 119 R C 0.557 176.744 176.300 -0.188 0.000 1.006 119 R CA 0.056 56.028 56.100 -0.213 0.000 1.088 119 R CB 0.300 30.458 30.300 -0.237 0.000 0.950 119 R HN 0.128 nan 8.270 nan 0.000 0.419 120 L N 2.205 123.283 121.223 -0.242 0.000 2.455 120 L HA -0.021 4.317 4.340 -0.004 0.000 0.272 120 L C 1.251 178.002 176.870 -0.199 0.000 1.174 120 L CA 0.491 55.217 54.840 -0.191 0.000 0.869 120 L CB 0.674 42.619 42.059 -0.190 0.000 1.130 120 L HN 0.757 nan 8.230 nan 0.000 0.474 121 S N 0.522 116.127 115.700 -0.158 0.000 2.847 121 S HA 0.587 5.055 4.470 -0.004 0.000 0.254 121 S C -0.018 174.544 174.600 -0.064 0.000 1.039 121 S CA -0.035 58.081 58.200 -0.141 0.000 1.113 121 S CB 0.873 63.955 63.200 -0.197 0.000 1.092 121 S HN 0.674 nan 8.310 nan 0.000 0.620 122 A N 1.274 124.037 122.820 -0.095 0.000 2.612 122 A HA 0.826 5.144 4.320 -0.004 0.000 0.293 122 A C -3.414 174.012 177.584 -0.263 0.000 1.075 122 A CA -1.626 50.337 52.037 -0.124 0.000 0.680 122 A CB 0.495 19.447 19.000 -0.080 0.000 1.279 122 A HN 0.101 nan 8.150 nan 0.000 0.411 123 P HA 0.302 nan 4.420 nan 0.000 0.268 123 P C -0.858 176.321 177.300 -0.201 0.000 1.205 123 P CA 0.096 62.898 63.100 -0.497 0.000 0.771 123 P CB 0.402 31.705 31.700 -0.663 0.000 0.858 124 R N 2.514 122.954 120.500 -0.100 0.000 2.494 124 R HA 0.599 4.936 4.340 -0.004 0.000 0.305 124 R C -0.915 175.596 176.300 0.352 0.000 0.959 124 R CA -1.006 55.158 56.100 0.107 0.000 0.864 124 R CB 1.595 31.871 30.300 -0.040 0.000 1.159 124 R HN 0.389 nan 8.270 nan 0.000 0.446 125 L N 2.541 124.003 121.223 0.397 0.000 2.362 125 L HA 0.387 4.725 4.340 -0.004 0.000 0.275 125 L C -1.333 175.551 176.870 0.023 0.000 0.998 125 L CA -0.794 54.203 54.840 0.261 0.000 0.820 125 L CB 1.492 43.649 42.059 0.162 0.000 1.270 125 L HN 0.531 nan 8.230 nan 0.000 0.415 126 Y N 4.740 124.739 120.300 -0.502 0.000 2.650 126 Y HA 0.562 5.110 4.550 -0.004 0.000 0.343 126 Y C 0.506 176.217 175.900 -0.315 0.000 1.078 126 Y CA -0.566 57.013 58.100 -0.868 0.000 1.356 126 Y CB 0.805 38.492 38.460 -1.289 0.000 1.204 126 Y HN 0.746 nan 8.280 nan 0.000 0.508 127 A N 5.331 127.910 122.820 -0.403 0.000 3.026 127 A HA 0.482 4.800 4.320 -0.004 0.000 0.272 127 A C 1.478 178.901 177.584 -0.268 0.000 1.782 127 A CA 0.601 52.509 52.037 -0.215 0.000 1.451 127 A CB -1.587 17.322 19.000 -0.152 0.000 1.081 127 A HN 1.610 nan 8.150 nan 0.000 0.611 128 A N 1.560 124.291 122.820 -0.147 0.000 2.066 128 A HA -0.333 3.985 4.320 -0.004 0.000 0.231 128 A C 1.002 178.545 177.584 -0.068 0.000 0.465 128 A CA 2.365 54.374 52.037 -0.047 0.000 1.110 128 A CB -1.857 17.114 19.000 -0.049 0.000 1.434 128 A HN 1.438 nan 8.150 nan 0.000 0.706 129 D N -0.980 119.207 120.400 -0.354 0.000 2.602 129 D HA 0.409 5.047 4.640 -0.004 0.000 0.265 129 D C -0.015 175.970 176.300 -0.524 0.000 1.454 129 D CA 0.856 54.693 54.000 -0.271 0.000 0.795 129 D CB -0.450 40.293 40.800 -0.095 0.000 1.140 129 D HN 1.140 nan 8.370 nan 0.000 0.486 130 E N -1.538 117.990 120.200 -1.120 0.000 2.388 130 E HA 0.325 4.673 4.350 -0.004 0.000 0.281 130 E C -1.588 174.483 176.600 -0.882 0.000 1.046 130 E CA -1.076 54.871 56.400 -0.756 0.000 0.825 130 E CB 0.228 29.756 29.700 -0.287 0.000 1.243 130 E HN -0.004 nan 8.360 nan 0.000 0.438 131 W N 2.360 123.502 121.300 -0.263 0.000 2.287 131 W HA 0.475 5.133 4.660 -0.003 0.000 0.313 131 W C -0.046 176.430 176.519 -0.073 0.000 1.267 131 W CA -0.117 57.187 57.345 -0.067 0.000 1.201 131 W CB 1.644 31.151 29.460 0.077 0.000 1.196 131 W HN 0.525 nan 8.180 nan 0.000 0.536 132 V N 0.059 120.108 119.914 0.225 0.000 3.159 132 V HA 0.519 4.637 4.120 -0.004 0.000 0.308 132 V C -0.569 175.607 176.094 0.136 0.000 1.190 132 V CA -1.278 61.097 62.300 0.124 0.000 1.037 132 V CB 1.736 33.576 31.823 0.027 0.000 1.060 132 V HN 0.290 nan 8.190 nan 0.000 0.437 133 D N 1.068 121.510 120.400 0.070 0.000 2.344 133 D HA 0.647 5.284 4.640 -0.004 0.000 0.244 133 D C -0.041 176.279 176.300 0.034 0.000 1.134 133 D CA 0.373 54.395 54.000 0.037 0.000 0.930 133 D CB 1.739 42.543 40.800 0.007 0.000 1.175 133 D HN 0.933 nan 8.370 nan 0.000 0.437 134 T N -1.203 113.359 114.554 0.012 0.000 2.841 134 T HA 0.476 4.824 4.350 -0.004 0.000 0.296 134 T C -0.694 174.004 174.700 -0.004 0.000 1.166 134 T CA -0.678 61.447 62.100 0.041 0.000 1.007 134 T CB 1.134 70.098 68.868 0.159 0.000 1.253 134 T HN 0.401 nan 8.240 nan 0.000 0.511 135 T N -0.184 114.403 114.554 0.055 0.000 2.882 135 T HA 0.257 4.605 4.350 -0.004 0.000 0.287 135 T C 0.990 175.726 174.700 0.059 0.000 1.014 135 T CA -0.354 61.789 62.100 0.072 0.000 1.049 135 T CB 0.657 69.595 68.868 0.116 0.000 1.001 135 T HN 0.753 nan 8.240 nan 0.000 0.525 136 W N 0.555 121.870 121.300 0.025 0.000 2.358 136 W HA -0.017 4.641 4.660 -0.003 0.000 0.303 136 W C 2.001 178.525 176.519 0.009 0.000 1.208 136 W CA 1.047 58.394 57.345 0.003 0.000 1.274 136 W CB -0.179 29.275 29.460 -0.010 0.000 1.138 136 W HN 0.748 nan 8.180 nan 0.000 0.515 137 D N -2.052 118.506 120.400 0.263 0.000 2.144 137 D HA -0.223 4.415 4.640 -0.004 0.000 0.199 137 D C 1.888 178.272 176.300 0.141 0.000 0.984 137 D CA 1.481 55.582 54.000 0.168 0.000 0.834 137 D CB -0.778 40.096 40.800 0.122 0.000 0.955 137 D HN 0.348 nan 8.370 nan 0.000 0.465 138 H N 0.323 119.424 119.070 0.052 0.000 2.363 138 H HA 0.027 4.580 4.556 -0.004 0.000 0.301 138 H C 1.877 177.219 175.328 0.024 0.000 1.074 138 H CA 1.274 57.336 56.048 0.023 0.000 1.354 138 H CB 0.327 30.094 29.762 0.008 0.000 1.397 138 H HN 0.059 nan 8.280 nan 0.000 0.516 139 A N 1.479 124.221 122.820 -0.131 0.000 1.908 139 A HA -0.178 4.140 4.320 -0.004 0.000 0.218 139 A C 2.483 180.017 177.584 -0.082 0.000 1.181 139 A CA 1.671 53.596 52.037 -0.186 0.000 0.627 139 A CB -0.460 18.397 19.000 -0.239 0.000 0.818 139 A HN 0.367 nan 8.150 nan 0.000 0.445 140 M N -0.524 119.086 119.600 0.015 0.000 2.132 140 M HA -0.066 4.412 4.480 -0.004 0.000 0.263 140 M C 2.525 178.831 176.300 0.010 0.000 1.065 140 M CA 1.534 56.876 55.300 0.071 0.000 1.122 140 M CB -1.559 31.107 32.600 0.109 0.000 1.365 140 M HN 0.480 nan 8.290 nan 0.000 0.411 141 A N 0.314 123.111 122.820 -0.039 0.000 1.902 141 A HA -0.155 4.163 4.320 -0.004 0.000 0.217 141 A C 2.240 179.748 177.584 -0.125 0.000 1.181 141 A CA 1.401 53.396 52.037 -0.070 0.000 0.623 141 A CB -0.843 18.145 19.000 -0.021 0.000 0.818 141 A HN 0.413 nan 8.150 nan 0.000 0.443 142 L N -1.979 119.125 121.223 -0.199 0.000 2.044 142 L HA -0.065 4.273 4.340 -0.004 0.000 0.205 142 L C 2.279 179.032 176.870 -0.196 0.000 1.075 142 L CA 2.231 56.931 54.840 -0.233 0.000 0.747 142 L CB -0.900 40.966 42.059 -0.321 0.000 0.903 142 L HN 0.493 nan 8.230 nan 0.000 0.435 143 Y N 0.114 120.289 120.300 -0.209 0.000 2.109 143 Y HA -0.119 4.429 4.550 -0.004 0.000 0.285 143 Y C 2.431 178.247 175.900 -0.140 0.000 1.131 143 Y CA 1.954 59.967 58.100 -0.145 0.000 1.121 143 Y CB -0.609 37.825 38.460 -0.043 0.000 0.987 143 Y HN 0.228 nan 8.280 nan 0.000 0.495 144 A N -0.005 122.801 122.820 -0.023 0.000 1.933 144 A HA -0.095 4.223 4.320 -0.004 0.000 0.218 144 A C 2.428 179.869 177.584 -0.237 0.000 1.175 144 A CA 1.655 53.604 52.037 -0.147 0.000 0.628 144 A CB -1.693 17.241 19.000 -0.110 0.000 0.814 144 A HN 0.612 nan 8.150 nan 0.000 0.444 145 G N -0.300 108.370 108.800 -0.217 0.000 2.422 145 G HA2 -0.141 3.817 3.960 -0.004 0.000 0.218 145 G HA3 -0.141 3.817 3.960 -0.004 0.000 0.218 145 G C 1.539 176.286 174.900 -0.255 0.000 1.146 145 G CA 1.023 45.982 45.100 -0.236 0.000 0.769 145 G HN 0.439 nan 8.290 nan 0.000 0.547 146 L N -0.075 120.972 121.223 -0.294 0.000 2.109 146 L HA 0.104 4.442 4.340 -0.004 0.000 0.207 146 L C 2.803 179.539 176.870 -0.223 0.000 1.086 146 L CA 0.460 55.131 54.840 -0.281 0.000 0.760 146 L CB -0.220 41.581 42.059 -0.429 0.000 0.910 146 L HN 0.185 nan 8.230 nan 0.000 0.437 147 I N -0.128 120.271 120.570 -0.284 0.000 2.252 147 I HA -0.311 3.857 4.170 -0.004 0.000 0.245 147 I C 2.671 178.730 176.117 -0.096 0.000 1.102 147 I CA 1.295 62.483 61.300 -0.188 0.000 1.385 147 I CB -0.250 37.615 38.000 -0.225 0.000 1.064 147 I HN 0.244 nan 8.210 nan 0.000 0.414 148 K N 1.565 121.862 120.400 -0.172 0.000 2.026 148 K HA -0.256 4.061 4.320 -0.004 0.000 0.208 148 K C 2.240 178.758 176.600 -0.137 0.000 1.048 148 K CA 1.656 57.834 56.287 -0.181 0.000 0.929 148 K CB -0.064 32.164 32.500 -0.454 0.000 0.713 148 K HN 0.071 nan 8.250 nan 0.000 0.439 149 K N -0.210 120.070 120.400 -0.200 0.000 2.103 149 K HA -0.117 4.201 4.320 -0.004 0.000 0.207 149 K C 1.805 178.283 176.600 -0.204 0.000 1.048 149 K CA 1.935 58.063 56.287 -0.263 0.000 0.930 149 K CB -0.032 32.229 32.500 -0.398 0.000 0.716 149 K HN 0.181 nan 8.250 nan 0.000 0.444 150 T N 1.527 116.047 114.554 -0.057 0.000 2.777 150 T HA -0.069 4.279 4.350 -0.004 0.000 0.266 150 T C 1.732 176.482 174.700 0.082 0.000 1.040 150 T CA 1.029 63.188 62.100 0.098 0.000 1.141 150 T CB -0.060 68.884 68.868 0.127 0.000 0.868 150 T HN 0.148 nan 8.240 nan 0.000 0.444 151 L N 0.846 122.117 121.223 0.081 0.000 2.046 151 L HA -0.112 4.226 4.340 -0.004 0.000 0.208 151 L C 2.390 179.320 176.870 0.098 0.000 1.077 151 L CA 1.172 56.084 54.840 0.120 0.000 0.747 151 L CB -0.527 41.656 42.059 0.206 0.000 0.896 151 L HN 0.169 nan 8.230 nan 0.000 0.432 152 D N -0.298 120.147 120.400 0.074 0.000 2.144 152 D HA -0.125 4.513 4.640 -0.004 0.000 0.200 152 D C 2.222 178.530 176.300 0.013 0.000 0.978 152 D CA 1.013 55.042 54.000 0.049 0.000 0.833 152 D CB 0.081 40.886 40.800 0.010 0.000 0.961 152 D HN 0.148 nan 8.370 nan 0.000 0.470 153 K N 0.171 120.565 120.400 -0.010 0.000 2.168 153 K HA 0.063 4.381 4.320 -0.004 0.000 0.201 153 K C 1.127 177.771 176.600 0.073 0.000 1.049 153 K CA 0.713 57.007 56.287 0.012 0.000 0.974 153 K CB 0.297 32.778 32.500 -0.033 0.000 0.792 153 K HN 0.160 nan 8.250 nan 0.000 0.463 154 D N -0.328 120.134 120.400 0.104 0.000 2.423 154 D HA 0.119 4.757 4.640 -0.004 0.000 0.212 154 D C 0.874 177.226 176.300 0.087 0.000 1.060 154 D CA 0.633 54.699 54.000 0.110 0.000 0.872 154 D CB 1.111 42.000 40.800 0.149 0.000 1.012 154 D HN 0.225 nan 8.370 nan 0.000 0.503 155 G N 1.587 110.436 108.800 0.082 0.000 2.710 155 G HA2 -0.191 3.767 3.960 -0.004 0.000 0.668 155 G HA3 -0.191 3.767 3.960 -0.004 0.000 0.668 155 G C -2.281 172.669 174.900 0.083 0.000 1.320 155 G CA -0.597 44.544 45.100 0.069 0.000 0.860 155 G HN -0.128 nan 8.290 nan 0.000 0.538 156 P HA -0.101 nan 4.420 nan 0.000 0.221 156 P C 1.907 179.249 177.300 0.069 0.000 1.145 156 P CA 1.932 65.075 63.100 0.073 0.000 0.795 156 P CB -0.093 31.628 31.700 0.034 0.000 0.775 157 Q N -0.707 119.129 119.800 0.060 0.000 2.297 157 Q HA -0.086 4.252 4.340 -0.004 0.000 0.208 157 Q C 1.752 177.865 176.000 0.188 0.000 0.981 157 Q CA 1.839 57.683 55.803 0.069 0.000 0.876 157 Q CB -1.330 27.453 28.738 0.074 0.000 0.921 157 Q HN 0.179 nan 8.270 nan 0.000 0.446 158 G N 0.532 109.451 108.800 0.198 0.000 3.042 158 G HA2 0.247 4.204 3.960 -0.004 0.000 0.212 158 G HA3 0.247 4.204 3.960 -0.004 0.000 0.212 158 G C -0.095 174.983 174.900 0.296 0.000 1.166 158 G CA -0.210 45.046 45.100 0.260 0.000 0.767 158 G HN 0.155 nan 8.290 nan 0.000 0.546 159 V N 1.430 121.497 119.914 0.256 0.000 2.328 159 V HA 0.492 4.610 4.120 -0.004 0.000 0.278 159 V C -0.841 175.378 176.094 0.210 0.000 1.021 159 V CA -0.790 61.621 62.300 0.184 0.000 0.838 159 V CB 0.661 32.568 31.823 0.141 0.000 0.999 159 V HN 0.155 nan 8.190 nan 0.000 0.447 160 F N 4.376 124.232 119.950 -0.156 0.000 2.458 160 F HA 0.752 5.277 4.527 -0.003 0.000 0.330 160 F C -0.277 175.315 175.800 -0.347 0.000 1.082 160 F CA -0.614 57.316 58.000 -0.117 0.000 0.995 160 F CB 1.911 40.845 39.000 -0.110 0.000 1.170 160 F HN 0.308 nan 8.300 nan 0.000 0.478 161 F N 0.735 120.770 119.950 0.141 0.000 2.601 161 F HA 0.420 4.945 4.527 -0.003 0.000 0.309 161 F C -0.287 175.546 175.800 0.054 0.000 1.089 161 F CA -0.854 57.200 58.000 0.089 0.000 0.940 161 F CB 2.272 41.349 39.000 0.128 0.000 1.273 161 F HN 0.179 nan 8.300 nan 0.000 0.450 162 S N 2.194 118.000 115.700 0.175 0.000 2.596 162 S HA 0.671 5.139 4.470 -0.004 0.000 0.318 162 S C -1.359 173.447 174.600 0.343 0.000 1.097 162 S CA -0.346 57.989 58.200 0.224 0.000 1.080 162 S CB 0.778 64.075 63.200 0.161 0.000 0.991 162 S HN 0.805 nan 8.310 nan 0.000 0.471 163 C N 6.473 125.947 119.300 0.290 0.000 2.712 163 C HA 0.781 5.239 4.460 -0.004 0.000 0.308 163 C C -0.265 174.778 174.990 0.088 0.000 1.201 163 C CA -1.450 57.645 59.018 0.127 0.000 1.554 163 C CB 0.018 27.620 27.740 -0.230 0.000 2.117 163 C HN 0.929 nan 8.230 nan 0.000 0.480 164 F N 3.471 123.504 119.950 0.138 0.000 2.626 164 F HA 0.331 4.856 4.527 -0.004 0.000 0.354 164 F C 0.916 176.730 175.800 0.024 0.000 1.168 164 F CA 0.413 58.391 58.000 -0.035 0.000 1.368 164 F CB 0.428 39.102 39.000 -0.544 0.000 1.092 164 F HN 0.661 nan 8.300 nan 0.000 0.612 165 D N -0.542 120.062 120.400 0.341 0.000 2.556 165 D HA 0.072 4.710 4.640 -0.004 0.000 0.237 165 D C -0.023 176.522 176.300 0.408 0.000 1.296 165 D CA -0.116 54.096 54.000 0.352 0.000 0.807 165 D CB -1.030 40.049 40.800 0.464 0.000 1.084 165 D HN 0.822 nan 8.370 nan 0.000 0.510 166 H N -1.110 118.124 119.070 0.272 0.000 2.645 166 H HA 0.766 5.320 4.556 -0.004 0.000 0.308 166 H C 0.799 176.151 175.328 0.040 0.000 1.495 166 H CA -0.453 55.669 56.048 0.124 0.000 1.518 166 H CB 0.425 30.129 29.762 -0.096 0.000 1.752 166 H HN -0.015 nan 8.280 nan 0.000 0.797 167 G N -2.456 106.512 108.800 0.280 0.000 2.671 167 G HA2 0.515 4.473 3.960 -0.004 0.000 0.275 167 G HA3 0.515 4.473 3.960 -0.004 0.000 0.275 167 G C 0.237 175.250 174.900 0.188 0.000 1.368 167 G CA -0.592 44.556 45.100 0.080 0.000 1.044 167 G HN 1.136 nan 8.290 nan 0.000 0.543 168 G N -1.077 107.744 108.800 0.035 0.000 2.645 168 G HA2 0.308 4.265 3.960 -0.004 0.000 0.246 168 G HA3 0.308 4.265 3.960 -0.004 0.000 0.246 168 G C 0.579 175.456 174.900 -0.039 0.000 1.322 168 G CA 0.281 45.388 45.100 0.012 0.000 0.898 168 G HN 2.055 nan 8.290 nan 0.000 0.573 169 A N -0.284 122.488 122.820 -0.079 0.000 2.520 169 A HA 0.632 4.950 4.320 -0.004 0.000 0.245 169 A C 1.981 179.579 177.584 0.024 0.000 1.072 169 A CA 2.034 53.991 52.037 -0.134 0.000 0.761 169 A CB -0.332 18.536 19.000 -0.221 0.000 1.004 169 A HN 2.926 nan 8.150 nan 0.000 0.499 170 G N 0.997 109.705 108.800 -0.152 0.000 2.136 170 G HA2 0.206 4.164 3.960 -0.004 0.000 0.242 170 G HA3 0.206 4.164 3.960 -0.004 0.000 0.242 170 G C 0.871 175.210 174.900 -0.934 0.000 0.989 170 G CA 0.767 45.659 45.100 -0.346 0.000 0.682 170 G HN 2.372 nan 8.290 nan 0.000 0.522 171 G N -2.012 106.365 108.800 -0.705 0.000 2.677 171 G HA2 0.920 4.878 3.960 -0.004 0.000 0.283 171 G HA3 0.920 4.878 3.960 -0.004 0.000 0.283 171 G C 0.451 175.167 174.900 -0.306 0.000 1.221 171 G CA 1.070 45.731 45.100 -0.732 0.000 0.851 171 G HN 2.374 nan 8.290 nan 0.000 0.504 172 G N -2.158 106.541 108.800 -0.169 0.000 2.570 172 G HA2 0.188 4.146 3.960 -0.004 0.000 0.686 172 G HA3 0.188 4.146 3.960 -0.004 0.000 0.686 172 G C 0.299 175.159 174.900 -0.068 0.000 1.257 172 G CA 0.115 45.107 45.100 -0.179 0.000 0.846 172 G HN 0.949 nan 8.290 nan 0.000 0.627 173 F N 0.453 120.479 119.950 0.127 0.000 2.216 173 F HA 0.004 4.529 4.527 -0.003 0.000 0.300 173 F C 2.638 178.578 175.800 0.233 0.000 1.085 173 F CA 1.981 60.104 58.000 0.206 0.000 1.326 173 F CB -0.010 39.111 39.000 0.201 0.000 1.027 173 F HN 0.601 nan 8.300 nan 0.000 0.497 174 E N 0.194 120.612 120.200 0.363 0.000 2.047 174 E HA -0.155 4.193 4.350 -0.004 0.000 0.191 174 E C 1.847 178.595 176.600 0.246 0.000 0.987 174 E CA 1.165 57.728 56.400 0.272 0.000 0.799 174 E CB -0.331 29.481 29.700 0.187 0.000 0.752 174 E HN 0.221 nan 8.360 nan 0.000 0.449 175 N N -0.240 118.575 118.700 0.191 0.000 2.216 175 N HA -0.091 4.647 4.740 -0.004 0.000 0.183 175 N C 1.887 177.560 175.510 0.271 0.000 1.017 175 N CA 1.798 54.973 53.050 0.208 0.000 0.861 175 N CB -0.551 37.962 38.487 0.043 0.000 0.986 175 N HN 0.364 nan 8.380 nan 0.000 0.428 176 T N -2.248 112.464 114.554 0.264 0.000 2.951 176 T HA -0.109 4.238 4.350 -0.004 0.000 0.268 176 T C 1.707 176.399 174.700 -0.013 0.000 1.073 176 T CA 0.394 62.532 62.100 0.063 0.000 1.134 176 T CB -0.474 68.398 68.868 0.008 0.000 0.884 176 T HN 0.408 nan 8.240 nan 0.000 0.479 177 W N 2.246 123.534 121.300 -0.019 0.000 2.407 177 W HA 0.016 4.675 4.660 -0.003 0.000 0.305 177 W C 2.247 178.808 176.519 0.070 0.000 1.196 177 W CA 0.869 58.211 57.345 -0.006 0.000 1.311 177 W CB -0.599 28.876 29.460 0.025 0.000 1.135 177 W HN 0.392 nan 8.180 nan 0.000 0.514 178 G N 0.837 109.692 108.800 0.092 0.000 2.459 178 G HA2 -0.385 3.573 3.960 -0.004 0.000 0.217 178 G HA3 -0.385 3.573 3.960 -0.004 0.000 0.217 178 G C 1.522 176.384 174.900 -0.063 0.000 1.183 178 G CA 2.631 47.863 45.100 0.221 0.000 0.776 178 G HN 0.371 nan 8.290 nan 0.000 0.552 179 T N -0.994 113.368 114.554 -0.320 0.000 2.777 179 T HA 0.059 4.407 4.350 -0.004 0.000 0.266 179 T C 2.455 176.722 174.700 -0.722 0.000 1.040 179 T CA 1.681 63.361 62.100 -0.701 0.000 1.141 179 T CB -0.704 67.439 68.868 -1.208 0.000 0.868 179 T HN 0.276 nan 8.240 nan 0.000 0.444 180 G N 1.278 109.669 108.800 -0.680 0.000 2.408 180 G HA2 -0.135 3.823 3.960 -0.004 0.000 0.217 180 G HA3 -0.135 3.823 3.960 -0.004 0.000 0.217 180 G C 1.582 176.070 174.900 -0.688 0.000 1.150 180 G CA 0.812 45.413 45.100 -0.831 0.000 0.776 180 G HN 0.582 nan 8.290 nan 0.000 0.542 181 K N -0.309 119.672 120.400 -0.699 0.000 2.057 181 K HA -0.030 4.288 4.320 -0.004 0.000 0.207 181 K C 2.398 178.910 176.600 -0.147 0.000 1.049 181 K CA 1.166 57.093 56.287 -0.599 0.000 0.931 181 K CB -0.238 31.675 32.500 -0.978 0.000 0.714 181 K HN 0.260 nan 8.250 nan 0.000 0.440 182 L N 1.065 122.248 121.223 -0.067 0.000 2.017 182 L HA -0.129 4.209 4.340 -0.004 0.000 0.208 182 L C 2.126 178.869 176.870 -0.213 0.000 1.073 182 L CA 1.706 56.495 54.840 -0.085 0.000 0.745 182 L CB -0.282 41.695 42.059 -0.138 0.000 0.894 182 L HN 0.248 nan 8.230 nan 0.000 0.432 183 M N -1.755 117.558 119.600 -0.477 0.000 2.132 183 M HA -0.146 4.332 4.480 -0.004 0.000 0.263 183 M C 2.173 178.384 176.300 -0.147 0.000 1.065 183 M CA 1.972 56.962 55.300 -0.517 0.000 1.122 183 M CB -0.392 31.611 32.600 -0.995 0.000 1.365 183 M HN 0.237 nan 8.290 nan 0.000 0.411 184 F N -1.280 118.519 119.950 -0.253 0.000 2.317 184 F HA 0.030 4.554 4.527 -0.004 0.000 0.290 184 F C 2.486 178.167 175.800 -0.199 0.000 1.075 184 F CA 0.042 57.906 58.000 -0.227 0.000 1.380 184 F CB -0.057 38.811 39.000 -0.219 0.000 1.093 184 F HN 0.020 nan 8.300 nan 0.000 0.524 185 S N 0.034 115.731 115.700 -0.006 0.000 2.439 185 S HA 0.104 4.571 4.470 -0.004 0.000 0.224 185 S C 1.888 176.385 174.600 -0.173 0.000 1.029 185 S CA 0.735 58.890 58.200 -0.075 0.000 0.946 185 S CB 0.004 63.149 63.200 -0.092 0.000 0.797 185 S HN 0.307 nan 8.310 nan 0.000 0.504 186 A N 1.436 124.122 122.820 -0.223 0.000 1.919 186 A HA 0.341 4.659 4.320 -0.004 0.000 0.211 186 A C 1.908 179.129 177.584 -0.604 0.000 1.310 186 A CA 0.285 51.970 52.037 -0.587 0.000 0.651 186 A CB -0.688 17.996 19.000 -0.526 0.000 0.996 186 A HN 0.347 nan 8.150 nan 0.000 0.479 187 I N -0.699 119.762 120.570 -0.182 0.000 2.315 187 I HA -0.216 3.951 4.170 -0.004 0.000 0.248 187 I C 0.465 176.587 176.117 0.008 0.000 1.117 187 I CA 1.202 62.543 61.300 0.069 0.000 1.404 187 I CB -0.332 37.806 38.000 0.229 0.000 1.071 187 I HN 0.473 nan 8.210 nan 0.000 0.419 188 Q N 0.576 120.360 119.800 -0.027 0.000 2.493 188 Q HA -0.201 4.137 4.340 -0.004 0.000 0.278 188 Q C 0.304 176.293 176.000 -0.018 0.000 1.216 188 Q CA 0.566 56.347 55.803 -0.036 0.000 0.875 188 Q CB -2.150 26.537 28.738 -0.084 0.000 1.262 188 Q HN 0.493 nan 8.270 nan 0.000 0.468 189 T N 0.203 114.791 114.554 0.057 0.000 2.837 189 T HA 0.437 4.785 4.350 -0.004 0.000 0.285 189 T C -1.720 172.972 174.700 -0.014 0.000 0.984 189 T CA -1.788 60.338 62.100 0.045 0.000 1.049 189 T CB 1.173 70.133 68.868 0.152 0.000 0.947 189 T HN 0.034 nan 8.240 nan 0.000 0.472 190 P HA 0.197 nan 4.420 nan 0.000 0.267 190 P C 0.266 177.596 177.300 0.051 0.000 1.289 190 P CA -0.111 62.865 63.100 -0.207 0.000 0.866 190 P CB 0.302 31.834 31.700 -0.281 0.000 1.309 191 M N 1.013 120.560 119.600 -0.089 0.000 3.690 191 M HA 0.218 4.695 4.480 -0.004 0.000 0.209 191 M C -0.325 175.916 176.300 -0.097 0.000 1.403 191 M CA -0.286 54.799 55.300 -0.359 0.000 1.621 191 M CB -0.534 31.399 32.600 -1.111 0.000 1.056 191 M HN -0.273 nan 8.290 nan 0.000 0.593 192 V N 2.110 122.138 119.914 0.190 0.000 2.638 192 V HA 0.599 4.717 4.120 -0.004 0.000 0.306 192 V C 0.062 176.387 176.094 0.386 0.000 1.052 192 V CA -0.960 61.539 62.300 0.331 0.000 0.885 192 V CB 2.486 34.554 31.823 0.408 0.000 0.999 192 V HN 0.722 nan 8.190 nan 0.000 0.424 193 R N 4.271 124.986 120.500 0.357 0.000 2.943 193 R HA 0.886 5.224 4.340 -0.004 0.000 0.246 193 R C -1.084 175.417 176.300 0.336 0.000 1.201 193 R CA -0.904 55.393 56.100 0.328 0.000 1.056 193 R CB 1.626 32.092 30.300 0.277 0.000 1.243 193 R HN 0.475 nan 8.270 nan 0.000 0.498 194 I N 0.948 121.659 120.570 0.236 0.000 2.863 194 I HA 0.162 4.330 4.170 -0.004 0.000 0.311 194 I C 1.617 177.870 176.117 0.227 0.000 1.026 194 I CA -1.182 60.246 61.300 0.213 0.000 1.077 194 I CB 1.788 39.813 38.000 0.042 0.000 1.262 194 I HN 0.866 nan 8.210 nan 0.000 0.461 195 H N 2.911 122.168 119.070 0.311 0.000 2.390 195 H HA -0.161 4.393 4.556 -0.004 0.000 0.298 195 H C 0.808 176.351 175.328 0.357 0.000 1.106 195 H CA 2.111 58.381 56.048 0.370 0.000 1.297 195 H CB -0.560 29.452 29.762 0.417 0.000 1.375 195 H HN 0.724 nan 8.280 nan 0.000 0.509 196 N N 0.674 119.211 118.700 -0.272 0.000 2.184 196 N HA 0.015 4.753 4.740 -0.004 0.000 0.206 196 N C 0.020 175.576 175.510 0.076 0.000 1.151 196 N CA -0.402 52.653 53.050 0.008 0.000 0.878 196 N CB 0.601 39.158 38.487 0.117 0.000 1.014 196 N HN 0.561 nan 8.380 nan 0.000 0.512 197 R N -0.797 119.747 120.500 0.073 0.000 2.604 197 R HA 0.414 4.751 4.340 -0.004 0.000 0.270 197 R C -2.870 173.463 176.300 0.055 0.000 1.052 197 R CA -1.329 54.798 56.100 0.045 0.000 0.902 197 R CB 1.336 31.711 30.300 0.125 0.000 1.233 197 R HN -0.237 nan 8.270 nan 0.000 0.455 198 P HA 0.100 nan 4.420 nan 0.000 0.256 198 P C -0.597 176.750 177.300 0.079 0.000 1.335 198 P CA 0.421 63.563 63.100 0.070 0.000 0.808 198 P CB 0.403 32.145 31.700 0.070 0.000 1.305 199 A N -0.669 122.172 122.820 0.035 0.000 2.588 199 A HA 0.474 4.792 4.320 -0.004 0.000 0.290 199 A C -1.734 175.872 177.584 0.038 0.000 1.136 199 A CA -0.699 51.374 52.037 0.059 0.000 0.681 199 A CB 0.332 19.325 19.000 -0.012 0.000 1.282 199 A HN -0.042 nan 8.150 nan 0.000 0.421 200 Y N 2.597 122.818 120.300 -0.132 0.000 2.691 200 Y HA 0.389 4.937 4.550 -0.004 0.000 0.338 200 Y C 0.321 176.098 175.900 -0.206 0.000 1.148 200 Y CA 0.163 58.126 58.100 -0.229 0.000 1.430 200 Y CB -0.024 38.041 38.460 -0.657 0.000 1.303 200 Y HN 0.853 nan 8.280 nan 0.000 0.499 201 N N 0.761 119.294 118.700 -0.278 0.000 3.157 201 N HA 0.480 5.218 4.740 -0.004 0.000 0.291 201 N C -1.522 173.887 175.510 -0.169 0.000 1.515 201 N CA -1.008 52.024 53.050 -0.029 0.000 0.807 201 N CB 1.551 40.109 38.487 0.117 0.000 1.672 201 N HN 0.176 nan 8.380 nan 0.000 0.592 202 S N -1.751 113.780 115.700 -0.282 0.000 2.568 202 S HA 0.335 4.803 4.470 -0.004 0.000 0.302 202 S C 0.062 174.527 174.600 -0.226 0.000 1.082 202 S CA -0.547 57.386 58.200 -0.445 0.000 1.009 202 S CB 0.861 63.577 63.200 -0.807 0.000 1.069 202 S HN 0.528 nan 8.310 nan 0.000 0.500 203 E N 1.316 121.457 120.200 -0.099 0.000 2.482 203 E HA 0.059 4.407 4.350 -0.004 0.000 0.196 203 E C -0.018 176.577 176.600 -0.008 0.000 1.047 203 E CA 0.348 56.745 56.400 -0.005 0.000 0.869 203 E CB 0.079 29.742 29.700 -0.061 0.000 0.836 203 E HN 0.510 nan 8.360 nan 0.000 0.520 204 C N 0.790 120.036 119.300 -0.090 0.000 2.887 204 C HA 0.234 4.692 4.460 -0.004 0.000 0.240 204 C C 1.355 176.321 174.990 -0.039 0.000 1.872 204 C CA -0.802 58.196 59.018 -0.034 0.000 1.626 204 C CB -0.962 26.783 27.740 0.007 0.000 3.115 204 C HN 0.466 nan 8.230 nan 0.000 0.488 205 H N 1.027 120.144 119.070 0.077 0.000 2.353 205 H HA -0.099 4.454 4.556 -0.003 0.000 0.300 205 H C 2.289 177.654 175.328 0.062 0.000 1.090 205 H CA 2.035 58.156 56.048 0.121 0.000 1.327 205 H CB -0.058 29.850 29.762 0.243 0.000 1.383 205 H HN 0.589 nan 8.280 nan 0.000 0.508 206 A N 0.150 122.975 122.820 0.008 0.000 1.855 206 A HA -0.183 4.135 4.320 -0.004 0.000 0.215 206 A C 2.670 180.127 177.584 -0.213 0.000 1.191 206 A CA 2.255 54.066 52.037 -0.375 0.000 0.613 206 A CB -1.132 17.378 19.000 -0.817 0.000 0.829 206 A HN 0.438 nan 8.150 nan 0.000 0.442 207 T N -0.971 113.485 114.554 -0.164 0.000 2.759 207 T HA -0.169 4.179 4.350 -0.004 0.000 0.269 207 T C 2.068 176.722 174.700 -0.076 0.000 1.042 207 T CA 1.812 63.833 62.100 -0.131 0.000 1.140 207 T CB -0.295 68.531 68.868 -0.070 0.000 0.864 207 T HN 0.550 nan 8.240 nan 0.000 0.455 208 R N 0.344 120.832 120.500 -0.019 0.000 2.075 208 R HA 0.005 4.343 4.340 -0.004 0.000 0.232 208 R C 2.576 178.877 176.300 0.002 0.000 1.126 208 R CA 1.621 57.729 56.100 0.012 0.000 0.963 208 R CB -0.157 30.164 30.300 0.036 0.000 0.858 208 R HN 0.553 nan 8.270 nan 0.000 0.435 209 E N 0.380 120.593 120.200 0.022 0.000 2.204 209 E HA -0.137 4.211 4.350 -0.004 0.000 0.194 209 E C 1.774 178.346 176.600 -0.047 0.000 0.989 209 E CA 1.031 57.453 56.400 0.036 0.000 0.824 209 E CB 0.013 29.781 29.700 0.113 0.000 0.756 209 E HN 0.317 nan 8.360 nan 0.000 0.477 210 M N -0.901 118.628 119.600 -0.117 0.000 2.557 210 M HA 0.040 4.518 4.480 -0.004 0.000 0.259 210 M C 1.220 177.312 176.300 -0.346 0.000 1.086 210 M CA 0.978 56.148 55.300 -0.217 0.000 1.096 210 M CB 0.536 32.980 32.600 -0.261 0.000 1.424 210 M HN 0.313 nan 8.290 nan 0.000 0.488 211 G N 1.304 109.961 108.800 -0.238 0.000 2.163 211 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.213 211 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.213 211 G C -0.009 174.789 174.900 -0.171 0.000 0.991 211 G CA -0.571 44.414 45.100 -0.191 0.000 0.653 211 G HN 0.428 nan 8.290 nan 0.000 0.518 212 I N 2.175 122.645 120.570 -0.167 0.000 2.405 212 I HA 0.505 4.673 4.170 -0.004 0.000 0.280 212 I C 1.148 177.339 176.117 0.123 0.000 1.027 212 I CA -0.542 60.687 61.300 -0.119 0.000 1.161 212 I CB 1.432 39.344 38.000 -0.146 0.000 1.300 212 I HN 0.149 nan 8.210 nan 0.000 0.463 213 G N 4.677 113.673 108.800 0.328 0.000 2.491 213 G HA2 0.032 3.990 3.960 -0.004 0.000 0.238 213 G HA3 0.032 3.990 3.960 -0.004 0.000 0.238 213 G C 1.072 176.108 174.900 0.225 0.000 1.277 213 G CA -0.305 44.939 45.100 0.241 0.000 0.851 213 G HN 0.795 nan 8.290 nan 0.000 0.573 214 E N 1.479 121.774 120.200 0.157 0.000 2.418 214 E HA -0.096 4.252 4.350 -0.004 0.000 0.197 214 E C 0.592 177.264 176.600 0.120 0.000 1.026 214 E CA 0.595 57.090 56.400 0.158 0.000 0.862 214 E CB -0.035 29.752 29.700 0.145 0.000 0.799 214 E HN 0.433 nan 8.360 nan 0.000 0.518 215 L N 2.750 124.039 121.223 0.110 0.000 2.435 215 L HA 0.292 4.630 4.340 -0.004 0.000 0.253 215 L C -0.119 176.796 176.870 0.074 0.000 1.087 215 L CA -0.454 54.436 54.840 0.084 0.000 0.950 215 L CB 0.424 42.522 42.059 0.064 0.000 1.304 215 L HN 0.045 nan 8.230 nan 0.000 0.453 216 N N -0.431 118.333 118.700 0.107 0.000 2.204 216 N HA 0.040 4.778 4.740 -0.004 0.000 0.219 216 N C 0.098 175.632 175.510 0.040 0.000 1.151 216 N CA -0.482 52.610 53.050 0.070 0.000 0.867 216 N CB 0.345 38.985 38.487 0.255 0.000 1.043 216 N HN 0.496 nan 8.380 nan 0.000 0.516 217 N N 0.202 118.936 118.700 0.057 0.000 3.343 217 N HA 0.648 5.386 4.740 -0.004 0.000 0.330 217 N C -1.525 173.996 175.510 0.018 0.000 1.560 217 N CA -0.871 52.212 53.050 0.055 0.000 0.752 217 N CB 0.675 39.230 38.487 0.114 0.000 1.863 217 N HN 0.008 nan 8.380 nan 0.000 0.636 218 A N -1.478 121.363 122.820 0.036 0.000 2.354 218 A HA 0.503 4.821 4.320 -0.004 0.000 0.321 218 A C -0.016 177.630 177.584 0.104 0.000 1.125 218 A CA -0.849 51.174 52.037 -0.023 0.000 0.799 218 A CB 0.387 19.369 19.000 -0.029 0.000 1.293 218 A HN 0.705 nan 8.150 nan 0.000 0.452 219 Y N -0.421 119.743 120.300 -0.227 0.000 2.333 219 Y HA -0.195 4.353 4.550 -0.003 0.000 0.290 219 Y C 2.248 178.078 175.900 -0.116 0.000 1.144 219 Y CA 1.257 59.154 58.100 -0.340 0.000 1.228 219 Y CB 0.250 38.149 38.460 -0.936 0.000 0.985 219 Y HN 0.940 nan 8.280 nan 0.000 0.542 220 E N 0.785 121.038 120.200 0.088 0.000 2.204 220 E HA -0.209 4.139 4.350 -0.004 0.000 0.195 220 E C 1.296 177.977 176.600 0.136 0.000 0.990 220 E CA 1.029 57.515 56.400 0.143 0.000 0.821 220 E CB -0.007 29.749 29.700 0.093 0.000 0.750 220 E HN 0.479 nan 8.360 nan 0.000 0.477 221 D N 0.060 120.539 120.400 0.132 0.000 2.178 221 D HA -0.143 4.495 4.640 -0.004 0.000 0.201 221 D C 1.745 178.095 176.300 0.084 0.000 0.980 221 D CA 1.050 55.114 54.000 0.107 0.000 0.842 221 D CB 0.009 40.875 40.800 0.110 0.000 0.948 221 D HN 0.274 nan 8.370 nan 0.000 0.472 222 A N 0.827 123.731 122.820 0.140 0.000 2.070 222 A HA -0.185 4.133 4.320 -0.004 0.000 0.220 222 A C 2.049 179.623 177.584 -0.018 0.000 1.159 222 A CA 1.047 53.072 52.037 -0.021 0.000 0.656 222 A CB -0.344 18.648 19.000 -0.012 0.000 0.800 222 A HN 0.213 nan 8.150 nan 0.000 0.453 223 Q N -0.942 118.914 119.800 0.093 0.000 2.331 223 Q HA 0.153 4.491 4.340 -0.004 0.000 0.203 223 Q C 1.443 177.435 176.000 -0.012 0.000 0.944 223 Q CA 0.633 56.472 55.803 0.059 0.000 0.892 223 Q CB -0.006 28.800 28.738 0.113 0.000 0.983 223 Q HN 0.663 nan 8.270 nan 0.000 0.482 224 L N -0.154 121.068 121.223 -0.001 0.000 2.554 224 L HA 0.253 4.591 4.340 -0.004 0.000 0.225 224 L C 0.826 177.683 176.870 -0.021 0.000 1.104 224 L CA -0.551 54.275 54.840 -0.023 0.000 0.866 224 L CB 0.136 42.225 42.059 0.049 0.000 1.047 224 L HN -0.015 nan 8.230 nan 0.000 0.468 225 A N 0.059 122.858 122.820 -0.036 0.000 2.425 225 A HA 0.024 4.342 4.320 -0.004 0.000 0.242 225 A C 0.656 178.223 177.584 -0.029 0.000 1.077 225 A CA -0.092 51.920 52.037 -0.041 0.000 0.781 225 A CB 0.269 19.203 19.000 -0.110 0.000 1.020 225 A HN 0.139 nan 8.150 nan 0.000 0.494 226 D N -0.302 120.097 120.400 -0.001 0.000 2.216 226 D HA 0.124 4.762 4.640 -0.004 0.000 0.208 226 D C -0.002 176.248 176.300 -0.083 0.000 0.960 226 D CA 1.377 55.372 54.000 -0.008 0.000 0.861 226 D CB 0.354 41.147 40.800 -0.012 0.000 0.985 226 D HN 0.227 nan 8.370 nan 0.000 0.493 227 V N 1.261 121.124 119.914 -0.084 0.000 2.760 227 V HA 0.389 4.507 4.120 -0.004 0.000 0.309 227 V C -0.453 175.562 176.094 -0.131 0.000 1.077 227 V CA -0.724 61.516 62.300 -0.099 0.000 0.910 227 V CB 2.920 34.730 31.823 -0.022 0.000 1.008 227 V HN -0.118 nan 8.190 nan 0.000 0.424 228 I N 2.725 123.159 120.570 -0.228 0.000 2.433 228 I HA 0.444 4.612 4.170 -0.004 0.000 0.292 228 I C -1.189 174.773 176.117 -0.259 0.000 1.001 228 I CA -0.277 60.821 61.300 -0.337 0.000 1.119 228 I CB 1.935 39.483 38.000 -0.754 0.000 1.289 228 I HN 0.554 nan 8.210 nan 0.000 0.438 229 W N 4.440 125.533 121.300 -0.345 0.000 2.469 229 W HA 0.477 5.135 4.660 -0.004 0.000 0.320 229 W C 0.357 176.810 176.519 -0.110 0.000 1.086 229 W CA -0.525 56.701 57.345 -0.197 0.000 1.211 229 W CB 1.736 31.131 29.460 -0.108 0.000 1.298 229 W HN 0.250 nan 8.180 nan 0.000 0.525 230 S N 4.708 120.469 115.700 0.102 0.000 2.669 230 S HA 0.600 5.067 4.470 -0.004 0.000 0.315 230 S C -0.951 173.875 174.600 0.377 0.000 1.106 230 S CA -0.492 57.868 58.200 0.267 0.000 1.107 230 S CB -0.385 62.913 63.200 0.164 0.000 0.990 230 S HN 0.354 nan 8.310 nan 0.000 0.471 231 I N 4.158 124.999 120.570 0.451 0.000 2.328 231 I HA 0.442 4.610 4.170 -0.004 0.000 0.287 231 I C 1.049 177.419 176.117 0.422 0.000 1.012 231 I CA -0.405 61.194 61.300 0.499 0.000 1.195 231 I CB 1.301 39.643 38.000 0.570 0.000 1.350 231 I HN 0.900 nan 8.210 nan 0.000 0.464 232 G N 4.650 113.678 108.800 0.381 0.000 2.314 232 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.292 232 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.292 232 G C -0.295 174.761 174.900 0.260 0.000 1.059 232 G CA 0.144 45.435 45.100 0.318 0.000 0.982 232 G HN 0.823 nan 8.290 nan 0.000 0.505 233 N N -0.418 118.438 118.700 0.259 0.000 2.367 233 N HA 0.290 5.028 4.740 -0.004 0.000 0.278 233 N C -1.281 174.321 175.510 0.153 0.000 1.117 233 N CA -0.637 52.527 53.050 0.189 0.000 0.867 233 N CB 1.234 39.861 38.487 0.233 0.000 1.649 233 N HN 0.195 nan 8.380 nan 0.000 0.479 234 N N 4.234 122.953 118.700 0.031 0.000 2.844 234 N HA 0.235 4.973 4.740 -0.004 0.000 0.268 234 N C -1.896 173.509 175.510 -0.174 0.000 1.574 234 N CA -2.065 50.944 53.050 -0.068 0.000 0.838 234 N CB 1.043 39.470 38.487 -0.100 0.000 1.177 234 N HN 0.425 nan 8.380 nan 0.000 0.495 235 P HA -0.224 nan 4.420 nan 0.000 0.218 235 P C 1.116 178.040 177.300 -0.628 0.000 1.148 235 P CA 0.987 63.795 63.100 -0.486 0.000 0.822 235 P CB 0.019 31.292 31.700 -0.710 0.000 0.784 236 Y N 1.688 121.379 120.300 -1.016 0.000 2.224 236 Y HA -0.150 4.397 4.550 -0.004 0.000 0.289 236 Y C 2.254 177.960 175.900 -0.323 0.000 1.146 236 Y CA 1.733 59.366 58.100 -0.778 0.000 1.182 236 Y CB -0.308 37.753 38.460 -0.664 0.000 0.983 236 Y HN -0.045 nan 8.280 nan 0.000 0.524 237 E N -0.970 119.064 120.200 -0.277 0.000 2.250 237 E HA -0.067 4.281 4.350 -0.004 0.000 0.192 237 E C 1.972 178.479 176.600 -0.154 0.000 0.986 237 E CA 1.012 57.275 56.400 -0.229 0.000 0.849 237 E CB 0.088 29.738 29.700 -0.084 0.000 0.797 237 E HN 0.525 nan 8.360 nan 0.000 0.482 238 S N -0.451 115.169 115.700 -0.134 0.000 2.505 238 S HA 0.101 4.569 4.470 -0.004 0.000 0.216 238 S C 0.949 175.537 174.600 -0.020 0.000 1.018 238 S CA -0.266 57.908 58.200 -0.043 0.000 0.911 238 S CB 0.440 63.623 63.200 -0.029 0.000 0.818 238 S HN -0.049 nan 8.310 nan 0.000 0.497 239 Q N 1.162 120.908 119.800 -0.091 0.000 2.632 239 Q HA 0.402 4.740 4.340 -0.004 0.000 0.352 239 Q C 0.501 176.458 176.000 -0.073 0.000 0.821 239 Q CA -0.070 55.716 55.803 -0.028 0.000 1.060 239 Q CB 0.527 29.267 28.738 0.004 0.000 1.429 239 Q HN 0.267 nan 8.270 nan 0.000 0.391 240 T N -0.133 114.357 114.554 -0.107 0.000 2.592 240 T HA -0.215 4.133 4.350 -0.004 0.000 0.267 240 T C 1.372 176.070 174.700 -0.004 0.000 1.060 240 T CA 2.025 64.038 62.100 -0.146 0.000 1.167 240 T CB -0.087 68.644 68.868 -0.229 0.000 0.863 240 T HN 0.388 nan 8.240 nan 0.000 0.431 241 N N -0.029 118.694 118.700 0.038 0.000 2.457 241 N HA 0.016 4.754 4.740 -0.004 0.000 0.180 241 N C 1.399 177.007 175.510 0.164 0.000 1.050 241 N CA 0.268 53.366 53.050 0.082 0.000 0.906 241 N CB -0.305 38.225 38.487 0.072 0.000 0.968 241 N HN 0.421 nan 8.380 nan 0.000 0.445 242 Y N 0.809 121.074 120.300 -0.058 0.000 2.153 242 Y HA -0.088 4.460 4.550 -0.004 0.000 0.289 242 Y C 2.058 177.887 175.900 -0.119 0.000 1.127 242 Y CA 0.773 58.786 58.100 -0.144 0.000 1.131 242 Y CB -1.037 37.141 38.460 -0.470 0.000 0.995 242 Y HN -0.028 nan 8.280 nan 0.000 0.505 243 F N 0.438 120.096 119.950 -0.487 0.000 2.069 243 F HA -0.259 4.266 4.527 -0.003 0.000 0.298 243 F C 2.122 177.840 175.800 -0.138 0.000 1.113 243 F CA 2.049 59.666 58.000 -0.639 0.000 1.214 243 F CB -0.606 38.067 39.000 -0.545 0.000 0.978 243 F HN 0.044 nan 8.300 nan 0.000 0.474 244 L N -0.270 121.001 121.223 0.079 0.000 2.093 244 L HA -0.187 4.151 4.340 -0.004 0.000 0.208 244 L C 1.929 178.767 176.870 -0.054 0.000 1.085 244 L CA 1.591 56.436 54.840 0.008 0.000 0.755 244 L CB -0.722 41.390 42.059 0.088 0.000 0.904 244 L HN 0.190 nan 8.230 nan 0.000 0.435 245 N N -1.856 116.820 118.700 -0.039 0.000 2.392 245 N HA -0.074 4.664 4.740 -0.004 0.000 0.177 245 N C 1.576 176.852 175.510 -0.389 0.000 1.066 245 N CA 0.730 53.656 53.050 -0.207 0.000 0.895 245 N CB 0.318 38.648 38.487 -0.261 0.000 0.988 245 N HN 0.332 nan 8.380 nan 0.000 0.457 246 H N -3.075 116.082 119.070 0.146 0.000 2.573 246 H HA 0.098 4.652 4.556 -0.004 0.000 0.236 246 H C 0.793 176.235 175.328 0.190 0.000 0.907 246 H CA 0.096 56.274 56.048 0.217 0.000 1.058 246 H CB -0.037 29.986 29.762 0.435 0.000 1.417 246 H HN 0.153 nan 8.280 nan 0.000 0.425 247 W N 2.099 123.338 121.300 -0.101 0.000 2.408 247 W HA 0.034 4.692 4.660 -0.004 0.000 0.311 247 W C 2.417 178.755 176.519 -0.300 0.000 1.190 247 W CA 0.434 57.631 57.345 -0.247 0.000 1.321 247 W CB -0.974 28.252 29.460 -0.390 0.000 1.143 247 W HN 0.018 nan 8.180 nan 0.000 0.501 248 L N -0.193 120.930 121.223 -0.166 0.000 2.042 248 L HA -0.172 4.166 4.340 -0.004 0.000 0.210 248 L C -0.324 176.481 176.870 -0.109 0.000 1.076 248 L CA 1.470 56.182 54.840 -0.214 0.000 0.749 248 L CB -2.214 39.675 42.059 -0.283 0.000 0.893 248 L HN -0.082 nan 8.230 nan 0.000 0.432 249 P HA -0.143 nan 4.420 nan 0.000 0.216 249 P C 1.207 178.473 177.300 -0.056 0.000 1.150 249 P CA 1.226 64.289 63.100 -0.063 0.000 0.837 249 P CB 0.004 31.670 31.700 -0.056 0.000 0.786 250 N N -0.344 118.327 118.700 -0.049 0.000 2.058 250 N HA -0.121 4.617 4.740 -0.004 0.000 0.191 250 N C 1.629 177.093 175.510 -0.077 0.000 1.037 250 N CA 1.388 54.400 53.050 -0.064 0.000 0.848 250 N CB -0.984 37.458 38.487 -0.076 0.000 1.021 250 N HN 0.038 nan 8.380 nan 0.000 0.422 251 L N 0.370 121.545 121.223 -0.081 0.000 2.127 251 L HA -0.156 4.182 4.340 -0.004 0.000 0.211 251 L C 2.046 178.873 176.870 -0.071 0.000 1.089 251 L CA 1.136 55.929 54.840 -0.078 0.000 0.757 251 L CB -0.423 41.596 42.059 -0.066 0.000 0.899 251 L HN 0.304 nan 8.230 nan 0.000 0.434 252 Q N -0.388 119.371 119.800 -0.069 0.000 2.472 252 Q HA 0.036 4.374 4.340 -0.004 0.000 0.208 252 Q C 1.495 177.461 176.000 -0.057 0.000 0.958 252 Q CA 0.625 56.391 55.803 -0.061 0.000 0.932 252 Q CB 0.254 28.956 28.738 -0.059 0.000 1.007 252 Q HN 0.623 nan 8.270 nan 0.000 0.508 253 G N 0.123 108.887 108.800 -0.059 0.000 2.175 253 G HA2 -0.337 3.621 3.960 -0.004 0.000 0.244 253 G HA3 -0.337 3.621 3.960 -0.004 0.000 0.244 253 G C 0.772 175.641 174.900 -0.052 0.000 0.982 253 G CA 0.172 45.240 45.100 -0.054 0.000 0.641 253 G HN 0.455 nan 8.290 nan 0.000 0.527 254 A N 0.084 122.872 122.820 -0.053 0.000 2.206 254 A HA 0.428 4.745 4.320 -0.004 0.000 0.211 254 A C 2.202 179.754 177.584 -0.053 0.000 1.158 254 A CA 2.445 54.452 52.037 -0.050 0.000 0.761 254 A CB -0.373 18.598 19.000 -0.049 0.000 0.801 254 A HN 1.505 nan 8.150 nan 0.000 0.473 255 T N -5.688 108.829 114.554 -0.062 0.000 3.044 255 T HA 0.079 4.427 4.350 -0.004 0.000 0.260 255 T C 1.333 175.967 174.700 -0.110 0.000 1.019 255 T CA 0.836 62.892 62.100 -0.073 0.000 0.921 255 T CB -0.190 68.640 68.868 -0.063 0.000 1.053 255 T HN 0.135 nan 8.240 nan 0.000 0.533 256 T N 2.879 117.375 114.554 -0.097 0.000 2.759 256 T HA -0.157 4.191 4.350 -0.004 0.000 0.269 256 T C 2.364 176.990 174.700 -0.123 0.000 1.042 256 T CA 1.953 63.986 62.100 -0.112 0.000 1.140 256 T CB -0.538 68.299 68.868 -0.051 0.000 0.864 256 T HN 0.736 nan 8.240 nan 0.000 0.455 257 S N 1.654 117.303 115.700 -0.085 0.000 2.402 257 S HA -0.073 4.395 4.470 -0.004 0.000 0.229 257 S C 1.908 176.445 174.600 -0.105 0.000 1.021 257 S CA 0.794 58.950 58.200 -0.073 0.000 0.974 257 S CB -0.319 62.850 63.200 -0.051 0.000 0.800 257 S HN 0.479 nan 8.310 nan 0.000 0.484 258 K N 1.489 121.815 120.400 -0.122 0.000 2.026 258 K HA -0.038 4.280 4.320 -0.004 0.000 0.208 258 K C 2.360 178.833 176.600 -0.212 0.000 1.048 258 K CA 1.579 57.782 56.287 -0.139 0.000 0.929 258 K CB -0.174 32.260 32.500 -0.111 0.000 0.713 258 K HN 0.409 nan 8.250 nan 0.000 0.439 259 K N 1.076 121.280 120.400 -0.326 0.000 2.026 259 K HA -0.142 4.176 4.320 -0.004 0.000 0.208 259 K C 2.016 178.354 176.600 -0.437 0.000 1.048 259 K CA 1.463 57.380 56.287 -0.617 0.000 0.929 259 K CB -0.039 31.650 32.500 -1.352 0.000 0.713 259 K HN 0.077 nan 8.250 nan 0.000 0.439 260 K N 0.878 121.140 120.400 -0.230 0.000 2.148 260 K HA -0.183 4.134 4.320 -0.004 0.000 0.204 260 K C 2.195 178.813 176.600 0.031 0.000 1.050 260 K CA 1.281 57.615 56.287 0.079 0.000 0.942 260 K CB 0.026 32.583 32.500 0.095 0.000 0.724 260 K HN 0.275 nan 8.250 nan 0.000 0.446 261 E N 1.416 121.575 120.200 -0.068 0.000 2.106 261 E HA -0.165 4.183 4.350 -0.004 0.000 0.192 261 E C 1.937 178.439 176.600 -0.164 0.000 0.984 261 E CA 0.871 57.218 56.400 -0.088 0.000 0.806 261 E CB 0.174 29.817 29.700 -0.096 0.000 0.750 261 E HN 0.183 nan 8.360 nan 0.000 0.458 262 R N -0.927 119.388 120.500 -0.307 0.000 2.115 262 R HA -0.022 4.315 4.340 -0.004 0.000 0.226 262 R C 0.062 175.895 176.300 -0.777 0.000 1.100 262 R CA 0.708 56.420 56.100 -0.647 0.000 0.980 262 R CB 0.125 29.781 30.300 -1.073 0.000 0.875 262 R HN 0.113 nan 8.270 nan 0.000 0.445 263 F N -0.339 119.667 119.950 0.094 0.000 2.660 263 F HA 0.337 4.862 4.527 -0.003 0.000 0.352 263 F C -1.926 173.984 175.800 0.184 0.000 1.257 263 F CA -2.780 55.324 58.000 0.175 0.000 1.200 263 F CB 1.635 40.846 39.000 0.352 0.000 1.473 263 F HN -0.211 nan 8.300 nan 0.000 0.561 264 P HA -0.123 nan 4.420 nan 0.000 0.221 264 P C 0.590 177.965 177.300 0.125 0.000 1.145 264 P CA 1.346 64.528 63.100 0.137 0.000 0.795 264 P CB 0.267 32.009 31.700 0.071 0.000 0.775 265 N N -0.522 118.254 118.700 0.126 0.000 2.328 265 N HA 0.083 4.821 4.740 -0.004 0.000 0.247 265 N C -0.209 175.305 175.510 0.006 0.000 1.165 265 N CA 0.125 53.209 53.050 0.058 0.000 0.873 265 N CB 0.385 38.898 38.487 0.044 0.000 1.125 265 N HN 0.309 nan 8.380 nan 0.000 0.513 266 E N 0.417 120.619 120.200 0.003 0.000 2.248 266 E HA 0.289 4.637 4.350 -0.004 0.000 0.267 266 E C -0.988 175.338 176.600 -0.458 0.000 0.877 266 E CA -0.588 55.665 56.400 -0.244 0.000 0.759 266 E CB 1.539 31.053 29.700 -0.310 0.000 1.182 266 E HN 0.102 nan 8.360 nan 0.000 0.418 267 N N 2.633 121.031 118.700 -0.503 0.000 2.530 267 N HA 0.231 4.969 4.740 -0.004 0.000 0.273 267 N C -1.307 173.732 175.510 -0.785 0.000 1.173 267 N CA -0.014 52.786 53.050 -0.418 0.000 0.967 267 N CB 0.619 38.942 38.487 -0.273 0.000 1.109 267 N HN 0.239 nan 8.380 nan 0.000 0.453 268 F N 2.200 122.123 119.950 -0.046 0.000 2.532 268 F HA 0.344 4.869 4.527 -0.004 0.000 0.365 268 F C -1.769 173.983 175.800 -0.078 0.000 1.112 268 F CA -1.802 56.163 58.000 -0.059 0.000 1.082 268 F CB 0.838 39.821 39.000 -0.029 0.000 1.319 268 F HN 0.282 nan 8.300 nan 0.000 0.457 269 P HA 0.105 nan 4.420 nan 0.000 0.273 269 P C -0.617 176.652 177.300 -0.051 0.000 1.250 269 P CA -0.473 62.590 63.100 -0.061 0.000 0.793 269 P CB 0.805 32.422 31.700 -0.137 0.000 1.011 270 Q N -0.368 119.375 119.800 -0.096 0.000 2.349 270 Q HA 0.287 4.625 4.340 -0.004 0.000 0.287 270 Q C 0.295 176.204 176.000 -0.152 0.000 1.044 270 Q CA -0.119 55.619 55.803 -0.108 0.000 0.918 270 Q CB 0.248 28.910 28.738 -0.127 0.000 1.242 270 Q HN 0.533 nan 8.270 nan 0.000 0.405 271 A N 3.662 126.407 122.820 -0.125 0.000 2.445 271 A HA 0.265 4.583 4.320 -0.004 0.000 0.242 271 A C -0.074 177.389 177.584 -0.203 0.000 1.075 271 A CA 0.184 52.133 52.037 -0.147 0.000 0.777 271 A CB 0.435 19.364 19.000 -0.117 0.000 1.013 271 A HN 0.727 nan 8.150 nan 0.000 0.493 272 R N 0.047 120.407 120.500 -0.233 0.000 2.888 272 R HA 0.776 5.114 4.340 -0.004 0.000 0.266 272 R C -1.247 174.974 176.300 -0.131 0.000 1.020 272 R CA -0.687 55.261 56.100 -0.253 0.000 0.963 272 R CB 2.175 32.120 30.300 -0.591 0.000 1.197 272 R HN 0.727 nan 8.270 nan 0.000 0.481 273 I N 1.515 122.065 120.570 -0.033 0.000 2.619 273 I HA 0.478 4.645 4.170 -0.004 0.000 0.292 273 I C -1.524 174.510 176.117 -0.138 0.000 1.100 273 I CA -0.784 60.433 61.300 -0.139 0.000 1.043 273 I CB 1.801 39.741 38.000 -0.099 0.000 1.239 273 I HN 0.511 nan 8.210 nan 0.000 0.420 274 I N 7.107 127.406 120.570 -0.452 0.000 2.466 274 I HA 0.376 4.544 4.170 -0.004 0.000 0.289 274 I C -1.312 174.515 176.117 -0.483 0.000 1.026 274 I CA -0.426 60.553 61.300 -0.535 0.000 1.078 274 I CB 1.749 39.008 38.000 -1.235 0.000 1.249 274 I HN 0.360 nan 8.210 nan 0.000 0.429 275 F N 5.430 125.362 119.950 -0.030 0.000 2.427 275 F HA 0.468 4.993 4.527 -0.003 0.000 0.346 275 F C 0.040 175.963 175.800 0.205 0.000 1.120 275 F CA -0.839 57.240 58.000 0.131 0.000 1.033 275 F CB 1.830 40.896 39.000 0.111 0.000 1.126 275 F HN 0.004 nan 8.300 nan 0.000 0.462 276 V N 3.289 123.464 119.914 0.434 0.000 2.293 276 V HA 0.393 4.511 4.120 -0.004 0.000 0.275 276 V C -0.942 175.383 176.094 0.386 0.000 1.021 276 V CA -0.311 62.217 62.300 0.380 0.000 0.815 276 V CB 0.958 33.045 31.823 0.439 0.000 1.025 276 V HN 0.676 nan 8.190 nan 0.000 0.448 277 D N 5.838 126.465 120.400 0.378 0.000 2.804 277 D HA 0.323 4.960 4.640 -0.004 0.000 0.209 277 D C -2.372 174.147 176.300 0.365 0.000 1.314 277 D CA -1.320 52.898 54.000 0.363 0.000 0.894 277 D CB 3.329 44.324 40.800 0.325 0.000 1.615 277 D HN 0.072 nan 8.370 nan 0.000 0.571 278 P HA -0.076 nan 4.420 nan 0.000 0.219 278 P C 0.072 177.566 177.300 0.324 0.000 1.146 278 P CA 0.850 64.088 63.100 0.230 0.000 0.808 278 P CB 0.291 32.086 31.700 0.158 0.000 0.779 279 R N 0.599 121.321 120.500 0.370 0.000 2.474 279 R HA 0.220 4.558 4.340 -0.004 0.000 0.295 279 R C -0.198 176.193 176.300 0.151 0.000 0.980 279 R CA -0.608 55.647 56.100 0.259 0.000 0.934 279 R CB 0.742 31.129 30.300 0.145 0.000 1.101 279 R HN -0.101 nan 8.270 nan 0.000 0.469 280 E N 3.245 123.509 120.200 0.108 0.000 2.070 280 E HA 0.069 4.417 4.350 -0.004 0.000 0.282 280 E C -0.737 175.735 176.600 -0.212 0.000 1.104 280 E CA -0.282 56.054 56.400 -0.106 0.000 0.876 280 E CB 0.689 30.409 29.700 0.033 0.000 1.055 280 E HN 0.674 nan 8.360 nan 0.000 0.401 281 T N 1.217 115.560 114.554 -0.351 0.000 2.937 281 T HA 0.352 4.700 4.350 -0.004 0.000 0.283 281 T C -1.971 172.540 174.700 -0.315 0.000 1.012 281 T CA -1.882 60.022 62.100 -0.327 0.000 0.997 281 T CB 1.400 70.062 68.868 -0.345 0.000 1.136 281 T HN 0.127 nan 8.240 nan 0.000 0.551 282 P HA -0.047 nan 4.420 nan 0.000 0.216 282 P C 1.735 178.857 177.300 -0.297 0.000 1.150 282 P CA 1.033 64.001 63.100 -0.220 0.000 0.837 282 P CB -0.103 31.522 31.700 -0.125 0.000 0.786 283 S N -0.876 114.610 115.700 -0.357 0.000 2.368 283 S HA -0.115 4.353 4.470 -0.004 0.000 0.225 283 S C 1.978 176.278 174.600 -0.499 0.000 1.030 283 S CA 1.221 59.166 58.200 -0.425 0.000 0.999 283 S CB -1.195 61.746 63.200 -0.432 0.000 0.844 283 S HN -0.023 nan 8.310 nan 0.000 0.459 284 V N 1.975 121.378 119.914 -0.851 0.000 2.343 284 V HA -0.187 3.931 4.120 -0.004 0.000 0.247 284 V C 2.639 178.562 176.094 -0.286 0.000 1.051 284 V CA 1.661 63.449 62.300 -0.853 0.000 1.036 284 V CB -1.203 30.094 31.823 -0.876 0.000 0.654 284 V HN 0.541 nan 8.190 nan 0.000 0.451 285 A N -0.232 122.458 122.820 -0.217 0.000 1.902 285 A HA -0.163 4.155 4.320 -0.004 0.000 0.217 285 A C 2.183 179.785 177.584 0.030 0.000 1.181 285 A CA 1.874 53.871 52.037 -0.066 0.000 0.623 285 A CB -0.505 18.455 19.000 -0.067 0.000 0.818 285 A HN 0.507 nan 8.150 nan 0.000 0.443 286 I N -0.490 120.073 120.570 -0.013 0.000 2.353 286 I HA -0.213 3.955 4.170 -0.004 0.000 0.248 286 I C 2.946 179.176 176.117 0.189 0.000 1.119 286 I CA 0.840 62.175 61.300 0.058 0.000 1.417 286 I CB -0.251 37.728 38.000 -0.035 0.000 1.078 286 I HN 0.352 nan 8.210 nan 0.000 0.421 287 A N 1.035 124.008 122.820 0.255 0.000 1.883 287 A HA -0.229 4.089 4.320 -0.004 0.000 0.217 287 A C 2.372 180.073 177.584 0.195 0.000 1.186 287 A CA 1.641 53.864 52.037 0.310 0.000 0.624 287 A CB -0.582 18.757 19.000 0.564 0.000 0.822 287 A HN 0.318 nan 8.150 nan 0.000 0.444 288 R N -1.852 118.745 120.500 0.161 0.000 2.096 288 R HA -0.142 4.195 4.340 -0.004 0.000 0.235 288 R C 2.255 178.623 176.300 0.113 0.000 1.127 288 R CA 1.542 57.717 56.100 0.125 0.000 0.968 288 R CB -0.558 29.804 30.300 0.104 0.000 0.861 288 R HN 0.808 nan 8.270 nan 0.000 0.440 289 H N 0.416 119.530 119.070 0.074 0.000 2.352 289 H HA -0.081 4.472 4.556 -0.004 0.000 0.299 289 H C 1.752 177.111 175.328 0.051 0.000 1.097 289 H CA 1.813 57.911 56.048 0.083 0.000 1.311 289 H CB 0.090 29.937 29.762 0.141 0.000 1.377 289 H HN -0.067 nan 8.280 nan 0.000 0.504 290 V N -0.186 119.741 119.914 0.021 0.000 2.379 290 V HA -0.036 4.082 4.120 -0.004 0.000 0.243 290 V C 2.443 178.504 176.094 -0.057 0.000 1.035 290 V CA 1.531 63.807 62.300 -0.040 0.000 1.035 290 V CB -0.638 31.190 31.823 0.009 0.000 0.673 290 V HN 0.643 nan 8.190 nan 0.000 0.457 291 A N -1.129 121.684 122.820 -0.012 0.000 2.220 291 A HA 0.538 4.856 4.320 -0.004 0.000 0.211 291 A C 1.261 178.833 177.584 -0.021 0.000 1.176 291 A CA 0.872 52.897 52.037 -0.021 0.000 0.834 291 A CB -0.238 18.763 19.000 0.001 0.000 0.868 291 A HN 1.202 nan 8.150 nan 0.000 0.488 292 G N -0.445 108.351 108.800 -0.007 0.000 2.705 292 G HA2 -0.178 3.780 3.960 -0.004 0.000 0.686 292 G HA3 -0.178 3.780 3.960 -0.004 0.000 0.686 292 G C 0.088 175.017 174.900 0.049 0.000 1.285 292 G CA -0.154 44.948 45.100 0.005 0.000 0.800 292 G HN 0.167 nan 8.290 nan 0.000 0.611 293 N N 0.431 119.167 118.700 0.060 0.000 2.149 293 N HA -0.091 4.647 4.740 -0.004 0.000 0.188 293 N C 1.559 177.145 175.510 0.128 0.000 1.019 293 N CA 1.688 54.794 53.050 0.093 0.000 0.857 293 N CB -0.153 38.380 38.487 0.077 0.000 0.997 293 N HN 0.627 nan 8.380 nan 0.000 0.426 294 D N 0.170 120.630 120.400 0.101 0.000 2.348 294 D HA -0.030 4.608 4.640 -0.004 0.000 0.216 294 D C 1.079 177.470 176.300 0.153 0.000 0.970 294 D CA 0.553 54.637 54.000 0.139 0.000 0.889 294 D CB 0.030 40.876 40.800 0.077 0.000 0.912 294 D HN 0.288 nan 8.370 nan 0.000 0.524 295 R N -0.285 120.257 120.500 0.071 0.000 2.468 295 R HA 0.231 4.569 4.340 -0.004 0.000 0.280 295 R C -0.457 175.927 176.300 0.140 0.000 0.963 295 R CA -0.045 56.011 56.100 -0.074 0.000 1.083 295 R CB 1.296 31.511 30.300 -0.142 0.000 1.200 295 R HN -0.097 nan 8.270 nan 0.000 0.541 296 V N 1.593 121.702 119.914 0.325 0.000 2.588 296 V HA 0.384 4.502 4.120 -0.004 0.000 0.304 296 V C -0.583 175.709 176.094 0.330 0.000 1.042 296 V CA -0.773 61.736 62.300 0.348 0.000 0.877 296 V CB 2.494 34.487 31.823 0.283 0.000 0.996 296 V HN 0.118 nan 8.190 nan 0.000 0.425 297 L N 4.279 125.630 121.223 0.213 0.000 2.319 297 L HA 0.511 4.848 4.340 -0.004 0.000 0.281 297 L C -0.244 176.710 176.870 0.140 0.000 1.005 297 L CA -0.436 54.403 54.840 -0.002 0.000 0.828 297 L CB 1.353 43.192 42.059 -0.367 0.000 1.227 297 L HN 0.727 nan 8.230 nan 0.000 0.415 298 H N 5.654 124.756 119.070 0.053 0.000 2.741 298 H HA 0.329 4.883 4.556 -0.004 0.000 0.282 298 H C -0.762 174.582 175.328 0.026 0.000 1.122 298 H CA -0.886 55.218 56.048 0.093 0.000 1.293 298 H CB 0.853 30.655 29.762 0.067 0.000 1.415 298 H HN 0.507 nan 8.280 nan 0.000 0.472 299 L N 5.638 126.886 121.223 0.041 0.000 2.401 299 L HA 0.196 4.534 4.340 -0.004 0.000 0.283 299 L C 0.688 177.456 176.870 -0.169 0.000 1.151 299 L CA -0.434 54.352 54.840 -0.091 0.000 0.942 299 L CB 0.491 42.537 42.059 -0.023 0.000 1.283 299 L HN 0.659 nan 8.230 nan 0.000 0.442 300 A N 5.760 128.326 122.820 -0.423 0.000 3.091 300 A HA 0.344 4.662 4.320 -0.004 0.000 0.264 300 A C 0.626 178.127 177.584 -0.138 0.000 1.673 300 A CA -0.580 51.228 52.037 -0.381 0.000 1.362 300 A CB -0.811 17.873 19.000 -0.527 0.000 1.137 300 A HN 0.753 nan 8.150 nan 0.000 0.617 301 I N -2.187 118.339 120.570 -0.073 0.000 2.892 301 I HA 0.167 4.335 4.170 -0.004 0.000 0.287 301 I C 0.151 176.222 176.117 -0.076 0.000 1.205 301 I CA -0.516 60.739 61.300 -0.075 0.000 1.409 301 I CB 0.502 38.460 38.000 -0.071 0.000 1.367 301 I HN 0.259 nan 8.210 nan 0.000 0.597 302 E N 4.646 124.792 120.200 -0.089 0.000 2.413 302 E HA 0.177 4.525 4.350 -0.004 0.000 0.263 302 E C -2.193 174.327 176.600 -0.133 0.000 1.015 302 E CA -1.552 54.790 56.400 -0.096 0.000 0.916 302 E CB -0.041 29.627 29.700 -0.053 0.000 0.947 302 E HN 0.453 nan 8.360 nan 0.000 0.440 303 P HA -0.034 nan 4.420 nan 0.000 0.264 303 P C 0.615 177.930 177.300 0.025 0.000 1.183 303 P CA 1.024 63.894 63.100 -0.384 0.000 0.763 303 P CB 0.379 31.375 31.700 -1.173 0.000 0.807 304 G N 2.234 111.135 108.800 0.167 0.000 2.143 304 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.249 304 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.249 304 G C 0.595 175.632 174.900 0.228 0.000 0.981 304 G CA 0.532 45.787 45.100 0.258 0.000 0.665 304 G HN 0.665 nan 8.290 nan 0.000 0.528 305 T N -2.687 111.903 114.554 0.059 0.000 3.134 305 T HA 0.358 4.705 4.350 -0.004 0.000 0.260 305 T C 1.278 175.809 174.700 -0.282 0.000 1.027 305 T CA 0.899 62.883 62.100 -0.193 0.000 0.913 305 T CB 0.244 68.953 68.868 -0.266 0.000 1.046 305 T HN 0.166 nan 8.240 nan 0.000 0.553 306 D N 2.140 122.482 120.400 -0.096 0.000 2.149 306 D HA -0.138 4.499 4.640 -0.004 0.000 0.194 306 D C 2.000 178.223 176.300 -0.128 0.000 1.001 306 D CA 1.867 55.798 54.000 -0.114 0.000 0.849 306 D CB -0.434 40.454 40.800 0.146 0.000 0.939 306 D HN 0.332 nan 8.370 nan 0.000 0.449 307 T N -0.157 114.403 114.554 0.010 0.000 2.720 307 T HA -0.170 4.178 4.350 -0.004 0.000 0.268 307 T C 2.023 176.649 174.700 -0.123 0.000 1.037 307 T CA 1.380 63.531 62.100 0.085 0.000 1.144 307 T CB -0.407 68.629 68.868 0.279 0.000 0.864 307 T HN 0.249 nan 8.240 nan 0.000 0.444 308 A N 1.194 123.713 122.820 -0.501 0.000 1.902 308 A HA -0.011 4.307 4.320 -0.004 0.000 0.217 308 A C 2.232 179.594 177.584 -0.370 0.000 1.181 308 A CA 1.361 53.030 52.037 -0.613 0.000 0.623 308 A CB -0.856 17.462 19.000 -1.136 0.000 0.818 308 A HN 0.421 nan 8.150 nan 0.000 0.443 309 L N -1.249 119.721 121.223 -0.422 0.000 1.990 309 L HA -0.154 4.184 4.340 -0.004 0.000 0.213 309 L C 2.171 178.841 176.870 -0.333 0.000 1.072 309 L CA 2.206 56.797 54.840 -0.415 0.000 0.755 309 L CB -0.774 40.917 42.059 -0.612 0.000 0.889 309 L HN 0.338 nan 8.230 nan 0.000 0.432 310 F N -0.093 119.853 119.950 -0.007 0.000 2.234 310 F HA -0.105 4.420 4.527 -0.003 0.000 0.299 310 F C 2.364 178.193 175.800 0.049 0.000 1.087 310 F CA 0.979 58.985 58.000 0.009 0.000 1.340 310 F CB -1.166 37.808 39.000 -0.044 0.000 1.031 310 F HN 0.225 nan 8.300 nan 0.000 0.500 311 N N 0.304 119.093 118.700 0.148 0.000 2.142 311 N HA -0.103 4.635 4.740 -0.004 0.000 0.186 311 N C 2.295 177.903 175.510 0.164 0.000 1.023 311 N CA 1.313 54.465 53.050 0.170 0.000 0.852 311 N CB -1.032 37.514 38.487 0.097 0.000 0.998 311 N HN 0.329 nan 8.380 nan 0.000 0.424 312 G N 1.206 110.042 108.800 0.061 0.000 2.433 312 G HA2 -0.173 3.785 3.960 -0.004 0.000 0.216 312 G HA3 -0.173 3.785 3.960 -0.004 0.000 0.216 312 G C 1.638 176.615 174.900 0.128 0.000 1.186 312 G CA 0.501 45.626 45.100 0.042 0.000 0.779 312 G HN 0.242 nan 8.290 nan 0.000 0.543 313 L N -0.717 120.614 121.223 0.181 0.000 2.046 313 L HA 0.026 4.364 4.340 -0.004 0.000 0.208 313 L C 2.574 179.619 176.870 0.293 0.000 1.077 313 L CA 1.086 56.098 54.840 0.286 0.000 0.747 313 L CB -0.448 41.825 42.059 0.356 0.000 0.896 313 L HN 0.304 nan 8.230 nan 0.000 0.432 314 F N 0.610 120.622 119.950 0.102 0.000 2.102 314 F HA -0.255 4.270 4.527 -0.004 0.000 0.298 314 F C 2.484 178.317 175.800 0.055 0.000 1.105 314 F CA 1.886 59.920 58.000 0.056 0.000 1.239 314 F CB -0.132 38.904 39.000 0.060 0.000 0.991 314 F HN -0.070 nan 8.300 nan 0.000 0.474 315 T N -0.262 114.302 114.554 0.017 0.000 2.708 315 T HA -0.279 4.069 4.350 -0.004 0.000 0.266 315 T C 1.538 176.188 174.700 -0.084 0.000 1.037 315 T CA 1.851 63.868 62.100 -0.139 0.000 1.146 315 T CB -0.793 68.068 68.868 -0.011 0.000 0.865 315 T HN 0.537 nan 8.240 nan 0.000 0.435 316 Y N 2.046 122.286 120.300 -0.101 0.000 2.145 316 Y HA -0.205 4.343 4.550 -0.004 0.000 0.286 316 Y C 2.493 178.289 175.900 -0.174 0.000 1.145 316 Y CA 1.347 59.376 58.100 -0.118 0.000 1.148 316 Y CB -0.253 38.183 38.460 -0.040 0.000 0.981 316 Y HN 0.106 nan 8.280 nan 0.000 0.507 317 V N -2.681 117.178 119.914 -0.091 0.000 2.490 317 V HA -0.191 3.927 4.120 -0.004 0.000 0.250 317 V C 1.927 177.882 176.094 -0.230 0.000 1.061 317 V CA 1.672 63.874 62.300 -0.163 0.000 1.064 317 V CB -1.271 30.588 31.823 0.059 0.000 0.670 317 V HN 0.290 nan 8.190 nan 0.000 0.461 318 V N 0.696 120.458 119.914 -0.253 0.000 2.358 318 V HA -0.185 3.933 4.120 -0.004 0.000 0.246 318 V C 2.775 178.730 176.094 -0.232 0.000 1.047 318 V CA 2.366 64.539 62.300 -0.212 0.000 1.035 318 V CB -0.668 30.944 31.823 -0.352 0.000 0.658 318 V HN 0.603 nan 8.190 nan 0.000 0.452 319 E N -0.411 119.614 120.200 -0.291 0.000 2.110 319 E HA -0.223 4.125 4.350 -0.004 0.000 0.193 319 E C 2.229 178.595 176.600 -0.390 0.000 0.988 319 E CA 1.015 57.246 56.400 -0.282 0.000 0.804 319 E CB -0.089 29.470 29.700 -0.235 0.000 0.745 319 E HN 0.532 nan 8.360 nan 0.000 0.458 320 Q N -0.799 118.604 119.800 -0.662 0.000 2.435 320 Q HA 0.005 4.343 4.340 -0.004 0.000 0.207 320 Q C 1.303 176.948 176.000 -0.591 0.000 0.956 320 Q CA 0.914 56.163 55.803 -0.923 0.000 0.917 320 Q CB 0.815 28.321 28.738 -2.054 0.000 0.997 320 Q HN 0.445 nan 8.270 nan 0.000 0.497 321 G N 0.221 108.837 108.800 -0.308 0.000 2.143 321 G HA2 -0.180 3.778 3.960 -0.004 0.000 0.248 321 G HA3 -0.180 3.778 3.960 -0.004 0.000 0.248 321 G C -0.349 174.644 174.900 0.155 0.000 0.991 321 G CA 0.075 45.140 45.100 -0.059 0.000 0.689 321 G HN 0.264 nan 8.290 nan 0.000 0.522 322 W N 1.278 122.555 121.300 -0.038 0.000 1.694 322 W HA 0.603 5.261 4.660 -0.003 0.000 0.425 322 W C 1.039 177.585 176.519 0.045 0.000 0.615 322 W CA -0.797 56.563 57.345 0.026 0.000 2.237 322 W CB -1.332 28.169 29.460 0.069 0.000 1.478 322 W HN 0.532 nan 8.180 nan 0.000 0.427 323 I N -2.489 118.212 120.570 0.218 0.000 3.145 323 I HA 0.521 4.689 4.170 -0.004 0.000 0.313 323 I C -0.441 175.749 176.117 0.122 0.000 1.122 323 I CA -1.079 60.307 61.300 0.143 0.000 0.987 323 I CB 2.476 40.514 38.000 0.063 0.000 1.236 323 I HN -0.353 nan 8.210 nan 0.000 0.453 324 D N 2.250 122.730 120.400 0.135 0.000 2.499 324 D HA 0.255 4.893 4.640 -0.004 0.000 0.225 324 D C 0.562 176.926 176.300 0.107 0.000 1.124 324 D CA -0.236 53.862 54.000 0.163 0.000 0.938 324 D CB 1.035 41.995 40.800 0.266 0.000 1.014 324 D HN 0.552 nan 8.370 nan 0.000 0.517 325 K N 2.044 122.460 120.400 0.027 0.000 2.063 325 K HA -0.107 4.210 4.320 -0.004 0.000 0.208 325 K C -0.928 175.662 176.600 -0.017 0.000 1.048 325 K CA 1.142 57.397 56.287 -0.054 0.000 0.928 325 K CB -0.504 31.963 32.500 -0.055 0.000 0.713 325 K HN 0.329 nan 8.250 nan 0.000 0.442 326 P HA -0.163 nan 4.420 nan 0.000 0.216 326 P C 1.176 178.517 177.300 0.067 0.000 1.153 326 P CA 0.958 64.089 63.100 0.050 0.000 0.848 326 P CB 0.005 31.759 31.700 0.090 0.000 0.787 327 F N 0.159 120.102 119.950 -0.012 0.000 2.102 327 F HA -0.150 4.374 4.527 -0.004 0.000 0.298 327 F C 1.976 177.756 175.800 -0.033 0.000 1.105 327 F CA 1.389 59.365 58.000 -0.039 0.000 1.239 327 F CB -0.836 38.020 39.000 -0.239 0.000 0.991 327 F HN -0.239 nan 8.300 nan 0.000 0.474 328 I N 0.252 120.758 120.570 -0.107 0.000 2.208 328 I HA -0.272 3.896 4.170 -0.004 0.000 0.245 328 I C 2.317 178.314 176.117 -0.201 0.000 1.097 328 I CA 1.378 62.565 61.300 -0.189 0.000 1.363 328 I CB -0.529 37.301 38.000 -0.284 0.000 1.051 328 I HN 0.133 nan 8.210 nan 0.000 0.413 329 E N 0.722 120.822 120.200 -0.167 0.000 2.106 329 E HA -0.134 4.214 4.350 -0.004 0.000 0.192 329 E C 2.227 178.719 176.600 -0.180 0.000 0.984 329 E CA 1.417 57.734 56.400 -0.138 0.000 0.806 329 E CB -0.147 29.494 29.700 -0.099 0.000 0.750 329 E HN 0.518 nan 8.360 nan 0.000 0.458 330 A N 0.218 122.873 122.820 -0.275 0.000 1.984 330 A HA -0.045 4.273 4.320 -0.004 0.000 0.214 330 A C 1.343 178.570 177.584 -0.595 0.000 1.173 330 A CA 0.693 52.463 52.037 -0.446 0.000 0.673 330 A CB -0.063 18.583 19.000 -0.590 0.000 0.830 330 A HN 0.152 nan 8.150 nan 0.000 0.453 331 H N -0.593 118.285 119.070 -0.319 0.000 2.916 331 H HA 0.202 4.756 4.556 -0.004 0.000 0.262 331 H C -0.047 175.075 175.328 -0.344 0.000 1.178 331 H CA 0.846 56.697 56.048 -0.328 0.000 1.090 331 H CB 0.250 29.727 29.762 -0.476 0.000 1.657 331 H HN 0.562 nan 8.280 nan 0.000 0.601 332 T N -1.937 112.514 114.554 -0.172 0.000 2.865 332 T HA 0.590 4.938 4.350 -0.004 0.000 0.294 332 T C -0.736 174.019 174.700 0.092 0.000 1.119 332 T CA -0.986 61.084 62.100 -0.050 0.000 1.007 332 T CB 3.668 72.569 68.868 0.054 0.000 1.225 332 T HN 0.136 nan 8.240 nan 0.000 0.515 333 K N -0.658 119.867 120.400 0.207 0.000 2.501 333 K HA 0.553 4.871 4.320 -0.004 0.000 0.252 333 K C 0.544 177.281 176.600 0.227 0.000 0.934 333 K CA -0.067 56.301 56.287 0.134 0.000 0.797 333 K CB 1.202 33.684 32.500 -0.029 0.000 1.270 333 K HN 1.439 nan 8.250 nan 0.000 0.431 334 G N 3.175 112.045 108.800 0.117 0.000 2.157 334 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.239 334 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.239 334 G C 0.298 175.151 174.900 -0.079 0.000 0.982 334 G CA 0.308 45.454 45.100 0.077 0.000 0.650 334 G HN 0.635 nan 8.290 nan 0.000 0.527 335 F N 2.023 121.698 119.950 -0.459 0.000 2.046 335 F HA -0.036 4.489 4.527 -0.003 0.000 0.297 335 F C 2.186 177.730 175.800 -0.426 0.000 1.123 335 F CA 2.496 59.916 58.000 -0.966 0.000 1.199 335 F CB -0.144 38.396 39.000 -0.766 0.000 0.972 335 F HN 0.160 nan 8.300 nan 0.000 0.474 336 D N 0.356 120.548 120.400 -0.346 0.000 2.123 336 D HA -0.193 4.445 4.640 -0.004 0.000 0.196 336 D C 1.890 178.004 176.300 -0.310 0.000 0.992 336 D CA 1.659 55.434 54.000 -0.375 0.000 0.833 336 D CB -0.597 40.125 40.800 -0.130 0.000 0.954 336 D HN 0.375 nan 8.370 nan 0.000 0.455 337 D N 0.497 120.777 120.400 -0.199 0.000 2.117 337 D HA -0.091 4.547 4.640 -0.004 0.000 0.197 337 D C 2.040 178.268 176.300 -0.121 0.000 0.987 337 D CA 1.217 55.143 54.000 -0.124 0.000 0.829 337 D CB -0.257 40.503 40.800 -0.066 0.000 0.961 337 D HN 0.150 nan 8.370 nan 0.000 0.460 338 A N 0.541 123.268 122.820 -0.155 0.000 1.930 338 A HA -0.104 4.214 4.320 -0.004 0.000 0.217 338 A C 2.522 180.128 177.584 0.037 0.000 1.175 338 A CA 0.927 52.937 52.037 -0.045 0.000 0.627 338 A CB -0.682 18.302 19.000 -0.028 0.000 0.815 338 A HN 0.132 nan 8.150 nan 0.000 0.443 339 V N 0.237 120.011 119.914 -0.233 0.000 2.332 339 V HA -0.313 3.805 4.120 -0.004 0.000 0.248 339 V C 2.490 178.494 176.094 -0.151 0.000 1.055 339 V CA 2.490 64.603 62.300 -0.312 0.000 1.038 339 V CB -0.639 30.784 31.823 -0.666 0.000 0.651 339 V HN 0.567 nan 8.190 nan 0.000 0.450 340 K N 0.176 120.491 120.400 -0.140 0.000 2.007 340 K HA -0.135 4.183 4.320 -0.004 0.000 0.206 340 K C 2.282 178.867 176.600 -0.025 0.000 1.047 340 K CA 1.893 58.131 56.287 -0.081 0.000 0.937 340 K CB -0.575 31.877 32.500 -0.080 0.000 0.718 340 K HN 0.690 nan 8.250 nan 0.000 0.438 341 T N -0.417 114.132 114.554 -0.008 0.000 2.867 341 T HA -0.056 4.292 4.350 -0.004 0.000 0.268 341 T C 1.357 176.093 174.700 0.060 0.000 1.057 341 T CA 1.204 63.319 62.100 0.025 0.000 1.136 341 T CB -0.165 68.719 68.868 0.026 0.000 0.874 341 T HN 0.013 nan 8.240 nan 0.000 0.466 342 N N 0.649 119.405 118.700 0.092 0.000 2.270 342 N HA 0.191 4.929 4.740 -0.004 0.000 0.198 342 N C 0.397 175.991 175.510 0.140 0.000 1.117 342 N CA -0.142 52.995 53.050 0.146 0.000 0.845 342 N CB -0.182 38.436 38.487 0.218 0.000 0.980 342 N HN 0.484 nan 8.380 nan 0.000 0.486 343 R N 1.195 121.738 120.500 0.071 0.000 2.538 343 R HA 0.135 4.473 4.340 -0.004 0.000 0.282 343 R C -0.974 175.350 176.300 0.041 0.000 1.009 343 R CA 0.194 56.313 56.100 0.031 0.000 1.063 343 R CB 0.075 30.367 30.300 -0.012 0.000 0.945 343 R HN 0.008 nan 8.270 nan 0.000 0.414 344 L N 3.553 124.794 121.223 0.030 0.000 2.588 344 L HA 0.229 4.567 4.340 -0.004 0.000 0.263 344 L C -0.789 176.081 176.870 0.000 0.000 0.935 344 L CA -0.158 54.692 54.840 0.016 0.000 0.891 344 L CB 2.060 44.124 42.059 0.009 0.000 1.318 344 L HN 0.806 nan 8.230 nan 0.000 0.409 345 S N 4.154 119.848 115.700 -0.011 0.000 2.600 345 S HA 0.352 4.820 4.470 -0.004 0.000 0.265 345 S C 1.262 175.838 174.600 -0.041 0.000 1.325 345 S CA -0.579 57.611 58.200 -0.018 0.000 1.002 345 S CB 0.752 63.941 63.200 -0.019 0.000 0.921 345 S HN 0.744 nan 8.310 nan 0.000 0.554 346 L N 0.346 121.534 121.223 -0.059 0.000 2.093 346 L HA -0.090 4.248 4.340 -0.004 0.000 0.208 346 L C 2.100 178.913 176.870 -0.094 0.000 1.085 346 L CA 1.311 56.086 54.840 -0.108 0.000 0.755 346 L CB -0.679 41.266 42.059 -0.190 0.000 0.904 346 L HN 0.689 nan 8.230 nan 0.000 0.435 347 D N -0.059 120.299 120.400 -0.070 0.000 2.117 347 D HA -0.209 4.429 4.640 -0.004 0.000 0.197 347 D C 2.067 178.333 176.300 -0.057 0.000 0.987 347 D CA 1.163 55.127 54.000 -0.059 0.000 0.829 347 D CB 0.101 40.876 40.800 -0.041 0.000 0.961 347 D HN 0.335 nan 8.370 nan 0.000 0.460 348 E N -0.224 119.946 120.200 -0.050 0.000 2.046 348 E HA -0.142 4.206 4.350 -0.004 0.000 0.190 348 E C 2.181 178.729 176.600 -0.086 0.000 0.982 348 E CA 0.627 56.999 56.400 -0.047 0.000 0.800 348 E CB -0.054 29.630 29.700 -0.026 0.000 0.756 348 E HN 0.204 nan 8.360 nan 0.000 0.449 349 C N 0.157 119.394 119.300 -0.105 0.000 2.398 349 C HA -0.175 4.283 4.460 -0.004 0.000 0.276 349 C C 3.046 177.946 174.990 -0.151 0.000 1.222 349 C CA 1.806 60.732 59.018 -0.153 0.000 1.746 349 C CB -1.087 26.576 27.740 -0.129 0.000 2.039 349 C HN 0.495 nan 8.230 nan 0.000 0.470 350 S N 0.528 116.157 115.700 -0.117 0.000 2.368 350 S HA -0.156 4.312 4.470 -0.004 0.000 0.225 350 S C 1.749 176.295 174.600 -0.091 0.000 1.030 350 S CA 1.977 60.113 58.200 -0.106 0.000 0.999 350 S CB -0.612 62.533 63.200 -0.092 0.000 0.844 350 S HN 0.755 nan 8.310 nan 0.000 0.459 351 N N 1.323 119.978 118.700 -0.076 0.000 2.166 351 N HA 0.021 4.759 4.740 -0.004 0.000 0.186 351 N C 1.686 177.162 175.510 -0.058 0.000 1.019 351 N CA 1.458 54.475 53.050 -0.054 0.000 0.856 351 N CB -0.449 38.018 38.487 -0.035 0.000 0.993 351 N HN 0.500 nan 8.380 nan 0.000 0.426 352 I N 0.170 120.685 120.570 -0.092 0.000 2.277 352 I HA -0.175 3.993 4.170 -0.004 0.000 0.243 352 I C 2.212 178.244 176.117 -0.142 0.000 1.094 352 I CA 1.351 62.585 61.300 -0.111 0.000 1.393 352 I CB -0.448 37.395 38.000 -0.261 0.000 1.078 352 I HN 0.223 nan 8.210 nan 0.000 0.417 353 T N -2.060 112.384 114.554 -0.184 0.000 3.043 353 T HA 0.149 4.497 4.350 -0.004 0.000 0.263 353 T C 1.695 176.325 174.700 -0.116 0.000 1.094 353 T CA 0.705 62.702 62.100 -0.172 0.000 1.127 353 T CB 0.202 68.950 68.868 -0.201 0.000 0.905 353 T HN 0.543 nan 8.240 nan 0.000 0.490 354 G N 0.593 109.335 108.800 -0.096 0.000 2.179 354 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.260 354 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.260 354 G C 0.088 174.937 174.900 -0.084 0.000 0.977 354 G CA 0.066 45.121 45.100 -0.075 0.000 0.641 354 G HN 0.744 nan 8.290 nan 0.000 0.533 355 V N 2.204 122.057 119.914 -0.101 0.000 2.498 355 V HA 0.419 4.537 4.120 -0.004 0.000 0.279 355 V C -1.457 174.580 176.094 -0.096 0.000 1.048 355 V CA -1.479 60.759 62.300 -0.104 0.000 0.967 355 V CB 1.479 33.234 31.823 -0.113 0.000 0.988 355 V HN 0.082 nan 8.190 nan 0.000 0.473 356 P HA 0.042 nan 4.420 nan 0.000 0.266 356 P C 1.054 178.297 177.300 -0.095 0.000 1.195 356 P CA 0.102 63.154 63.100 -0.080 0.000 0.768 356 P CB 0.643 32.301 31.700 -0.070 0.000 0.838 357 V N 3.015 122.873 119.914 -0.094 0.000 2.380 357 V HA -0.279 3.839 4.120 -0.004 0.000 0.251 357 V C 2.008 178.026 176.094 -0.126 0.000 1.063 357 V CA 2.456 64.685 62.300 -0.118 0.000 1.055 357 V CB -1.159 30.601 31.823 -0.104 0.000 0.657 357 V HN 0.707 nan 8.190 nan 0.000 0.455 358 D N -0.347 119.998 120.400 -0.092 0.000 2.117 358 D HA -0.258 4.380 4.640 -0.004 0.000 0.197 358 D C 2.056 178.292 176.300 -0.106 0.000 0.987 358 D CA 1.636 55.589 54.000 -0.078 0.000 0.829 358 D CB -0.327 40.443 40.800 -0.050 0.000 0.961 358 D HN 0.435 nan 8.370 nan 0.000 0.460 359 M N 0.059 119.586 119.600 -0.121 0.000 2.200 359 M HA -0.001 4.477 4.480 -0.004 0.000 0.265 359 M C 2.599 178.799 176.300 -0.167 0.000 1.066 359 M CA 0.868 56.069 55.300 -0.165 0.000 1.127 359 M CB -0.140 32.369 32.600 -0.150 0.000 1.379 359 M HN -0.025 nan 8.290 nan 0.000 0.420 360 L N 0.013 121.157 121.223 -0.132 0.000 2.017 360 L HA -0.233 4.105 4.340 -0.004 0.000 0.208 360 L C 2.421 179.235 176.870 -0.093 0.000 1.073 360 L CA 1.453 56.235 54.840 -0.097 0.000 0.745 360 L CB -0.733 41.246 42.059 -0.133 0.000 0.894 360 L HN 0.271 nan 8.230 nan 0.000 0.432 361 K N -0.232 120.065 120.400 -0.171 0.000 2.097 361 K HA -0.209 4.108 4.320 -0.004 0.000 0.206 361 K C 2.286 178.935 176.600 0.082 0.000 1.049 361 K CA 1.261 57.494 56.287 -0.090 0.000 0.933 361 K CB -0.177 32.268 32.500 -0.092 0.000 0.717 361 K HN 0.186 nan 8.250 nan 0.000 0.442 362 R N 0.787 121.234 120.500 -0.087 0.000 2.075 362 R HA -0.111 4.227 4.340 -0.004 0.000 0.232 362 R C 2.251 178.260 176.300 -0.484 0.000 1.126 362 R CA 1.330 57.265 56.100 -0.275 0.000 0.963 362 R CB -0.206 29.837 30.300 -0.427 0.000 0.858 362 R HN 0.186 nan 8.270 nan 0.000 0.435 363 A N 0.736 123.337 122.820 -0.365 0.000 1.908 363 A HA -0.146 4.172 4.320 -0.004 0.000 0.218 363 A C 2.337 180.038 177.584 0.196 0.000 1.181 363 A CA 1.832 53.736 52.037 -0.223 0.000 0.627 363 A CB -0.799 18.164 19.000 -0.061 0.000 0.818 363 A HN 0.541 nan 8.150 nan 0.000 0.445 364 A N -0.633 122.426 122.820 0.398 0.000 1.930 364 A HA -0.137 4.181 4.320 -0.004 0.000 0.217 364 A C 2.040 179.971 177.584 0.578 0.000 1.175 364 A CA 1.699 54.169 52.037 0.721 0.000 0.627 364 A CB -0.484 19.084 19.000 0.948 0.000 0.815 364 A HN 0.683 nan 8.150 nan 0.000 0.443 365 E N -1.096 119.371 120.200 0.445 0.000 2.051 365 E HA -0.221 4.127 4.350 -0.004 0.000 0.192 365 E C 1.758 178.441 176.600 0.138 0.000 0.991 365 E CA 1.419 57.932 56.400 0.188 0.000 0.799 365 E CB -0.226 29.637 29.700 0.270 0.000 0.748 365 E HN 0.747 nan 8.360 nan 0.000 0.449 366 W N 0.714 121.990 121.300 -0.040 0.000 2.363 366 W HA -0.054 4.604 4.660 -0.003 0.000 0.296 366 W C 2.528 178.946 176.519 -0.169 0.000 1.212 366 W CA 1.000 58.281 57.345 -0.106 0.000 1.260 366 W CB -0.946 28.456 29.460 -0.097 0.000 1.131 366 W HN 0.092 nan 8.180 nan 0.000 0.530 367 S N -2.006 113.707 115.700 0.021 0.000 2.458 367 S HA -0.034 4.434 4.470 -0.004 0.000 0.223 367 S C 1.057 175.333 174.600 -0.540 0.000 1.019 367 S CA 0.846 58.834 58.200 -0.353 0.000 0.937 367 S CB -0.129 62.675 63.200 -0.661 0.000 0.788 367 S HN 0.226 nan 8.310 nan 0.000 0.511 368 Y N 0.479 120.870 120.300 0.152 0.000 2.437 368 Y HA 0.420 4.968 4.550 -0.004 0.000 0.266 368 Y C 0.521 176.302 175.900 -0.197 0.000 1.077 368 Y CA -1.065 57.098 58.100 0.104 0.000 1.235 368 Y CB 0.048 38.702 38.460 0.322 0.000 1.303 368 Y HN -0.034 nan 8.280 nan 0.000 0.536 369 K N 3.212 123.286 120.400 -0.543 0.000 2.412 369 K HA 0.171 4.488 4.320 -0.004 0.000 0.281 369 K C -2.694 173.571 176.600 -0.558 0.000 1.027 369 K CA -1.644 53.874 56.287 -1.281 0.000 0.989 369 K CB 0.512 32.015 32.500 -1.662 0.000 0.935 369 K HN -0.126 nan 8.250 nan 0.000 0.475 370 P HA -0.052 nan 4.420 nan 0.000 0.266 370 P C -0.897 176.280 177.300 -0.205 0.000 1.195 370 P CA 0.248 63.222 63.100 -0.210 0.000 0.768 370 P CB 0.501 32.130 31.700 -0.119 0.000 0.838 371 K N 1.597 121.888 120.400 -0.182 0.000 2.120 371 K HA 0.300 4.618 4.320 -0.004 0.000 0.245 371 K C 1.457 177.972 176.600 -0.143 0.000 1.024 371 K CA -0.273 55.907 56.287 -0.179 0.000 0.906 371 K CB 0.241 32.607 32.500 -0.225 0.000 1.051 371 K HN 0.344 nan 8.250 nan 0.000 0.491 372 A N 0.924 123.668 122.820 -0.126 0.000 1.972 372 A HA -0.162 4.155 4.320 -0.004 0.000 0.219 372 A C 1.972 179.503 177.584 -0.088 0.000 1.169 372 A CA 2.084 54.066 52.037 -0.091 0.000 0.635 372 A CB -0.713 18.241 19.000 -0.076 0.000 0.810 372 A HN 0.735 nan 8.150 nan 0.000 0.446 373 S N -2.214 113.416 115.700 -0.117 0.000 2.603 373 S HA 0.351 4.819 4.470 -0.004 0.000 0.229 373 S C 1.452 175.996 174.600 -0.094 0.000 0.972 373 S CA 1.114 59.251 58.200 -0.105 0.000 0.935 373 S CB -0.136 62.983 63.200 -0.136 0.000 0.769 373 S HN 1.809 nan 8.310 nan 0.000 0.536 374 G N -0.049 108.693 108.800 -0.098 0.000 2.307 374 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.210 374 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.210 374 G C -0.129 174.720 174.900 -0.084 0.000 1.005 374 G CA -0.289 44.767 45.100 -0.073 0.000 0.634 374 G HN 0.551 nan 8.290 nan 0.000 0.496 375 Q N 1.061 120.785 119.800 -0.126 0.000 2.306 375 Q HA 0.746 5.084 4.340 -0.004 0.000 0.241 375 Q C 0.560 176.475 176.000 -0.142 0.000 0.948 375 Q CA 0.428 56.148 55.803 -0.139 0.000 0.886 375 Q CB 1.246 29.863 28.738 -0.202 0.000 1.227 375 Q HN 0.924 nan 8.270 nan 0.000 0.457 376 A N 2.490 125.243 122.820 -0.111 0.000 2.407 376 A HA 0.452 4.770 4.320 -0.004 0.000 0.248 376 A C -2.167 175.349 177.584 -0.112 0.000 1.082 376 A CA -1.216 50.773 52.037 -0.080 0.000 0.785 376 A CB -0.373 18.618 19.000 -0.014 0.000 1.020 376 A HN 0.495 nan 8.150 nan 0.000 0.489 377 P HA 0.152 nan 4.420 nan 0.000 0.268 377 P C -0.595 176.672 177.300 -0.055 0.000 1.208 377 P CA 0.108 63.150 63.100 -0.096 0.000 0.777 377 P CB 0.391 32.038 31.700 -0.089 0.000 0.875 378 R N 1.073 121.547 120.500 -0.044 0.000 2.204 378 R HA 0.377 4.715 4.340 -0.004 0.000 0.341 378 R C -0.423 175.877 176.300 -0.001 0.000 1.035 378 R CA -0.075 56.010 56.100 -0.025 0.000 0.887 378 R CB 0.249 30.543 30.300 -0.011 0.000 1.114 378 R HN 0.392 nan 8.270 nan 0.000 0.473 379 T N 4.087 118.665 114.554 0.039 0.000 2.809 379 T HA 0.231 4.579 4.350 -0.004 0.000 0.296 379 T C -0.293 174.438 174.700 0.051 0.000 1.015 379 T CA -0.513 61.597 62.100 0.017 0.000 0.954 379 T CB 1.041 69.917 68.868 0.013 0.000 0.950 379 T HN 0.381 nan 8.240 nan 0.000 0.450 380 M N 4.252 123.837 119.600 -0.025 0.000 2.120 380 M HA 0.312 4.790 4.480 -0.004 0.000 0.354 380 M C -1.001 175.299 176.300 -0.000 0.000 1.287 380 M CA -0.379 54.938 55.300 0.028 0.000 1.103 380 M CB 0.157 32.719 32.600 -0.064 0.000 1.623 380 M HN 0.611 nan 8.290 nan 0.000 0.471 381 H N 3.942 123.057 119.070 0.076 0.000 2.641 381 H HA 0.551 5.105 4.556 -0.004 0.000 0.295 381 H C -0.483 174.956 175.328 0.185 0.000 1.070 381 H CA -0.325 55.790 56.048 0.110 0.000 1.257 381 H CB 0.782 30.529 29.762 -0.025 0.000 1.393 381 H HN 0.733 nan 8.280 nan 0.000 0.464 382 A N 3.713 126.709 122.820 0.295 0.000 2.305 382 A HA 0.646 4.964 4.320 -0.004 0.000 0.322 382 A C -1.134 176.641 177.584 0.318 0.000 1.187 382 A CA -0.680 51.514 52.037 0.262 0.000 0.825 382 A CB 0.317 19.526 19.000 0.348 0.000 1.164 382 A HN 0.726 nan 8.150 nan 0.000 0.498 383 Y N -0.826 119.603 120.300 0.215 0.000 2.625 383 Y HA 0.875 5.423 4.550 -0.003 0.000 0.338 383 Y C -0.328 175.652 175.900 0.133 0.000 1.123 383 Y CA -0.941 57.270 58.100 0.184 0.000 1.046 383 Y CB 1.129 39.665 38.460 0.128 0.000 1.299 383 Y HN 0.657 nan 8.280 nan 0.000 0.464 384 E N 0.215 120.563 120.200 0.248 0.000 3.611 384 E HA 0.416 4.764 4.350 -0.004 0.000 0.111 384 E C 0.413 177.059 176.600 0.077 0.000 1.120 384 E CA -0.305 56.151 56.400 0.094 0.000 0.766 384 E CB 0.335 30.047 29.700 0.022 0.000 1.996 384 E HN 0.445 nan 8.360 nan 0.000 0.453 385 K N 0.207 120.582 120.400 -0.042 0.000 2.366 385 K HA 0.153 4.471 4.320 -0.004 0.000 0.198 385 K C 1.654 178.315 176.600 0.102 0.000 1.044 385 K CA 0.902 57.092 56.287 -0.162 0.000 0.973 385 K CB -0.414 31.897 32.500 -0.315 0.000 0.767 385 K HN 0.497 nan 8.250 nan 0.000 0.475 386 G N 1.869 110.788 108.800 0.199 0.000 2.462 386 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.220 386 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.220 386 G C 1.537 176.623 174.900 0.310 0.000 1.121 386 G CA 1.019 46.300 45.100 0.301 0.000 0.758 386 G HN 0.475 nan 8.290 nan 0.000 0.559 387 I N -3.413 117.309 120.570 0.255 0.000 4.032 387 I HA 0.369 4.537 4.170 -0.004 0.000 0.313 387 I C 2.267 178.484 176.117 0.167 0.000 1.272 387 I CA -0.051 61.379 61.300 0.217 0.000 1.307 387 I CB 0.027 38.141 38.000 0.190 0.000 1.155 387 I HN -0.029 nan 8.210 nan 0.000 0.431 388 I N 0.603 121.232 120.570 0.099 0.000 2.315 388 I HA -0.162 4.006 4.170 -0.004 0.000 0.248 388 I C 1.144 177.378 176.117 0.195 0.000 1.117 388 I CA 1.889 63.186 61.300 -0.006 0.000 1.404 388 I CB -0.115 37.714 38.000 -0.286 0.000 1.071 388 I HN 0.349 nan 8.210 nan 0.000 0.419 389 W N 0.923 122.385 121.300 0.270 0.000 2.937 389 W HA 0.366 5.024 4.660 -0.003 0.000 0.435 389 W C 1.040 177.807 176.519 0.413 0.000 0.912 389 W CA -0.893 56.672 57.345 0.367 0.000 2.209 389 W CB 0.068 29.796 29.460 0.447 0.000 1.144 389 W HN -0.058 nan 8.180 nan 0.000 0.762 390 G N 0.749 109.817 108.800 0.446 0.000 2.543 390 G HA2 -0.016 3.942 3.960 -0.004 0.000 0.267 390 G HA3 -0.016 3.942 3.960 -0.004 0.000 0.267 390 G C -0.463 174.190 174.900 -0.411 0.000 1.406 390 G CA -0.673 44.553 45.100 0.210 0.000 1.048 390 G HN -0.008 nan 8.290 nan 0.000 0.548 391 N N 1.003 119.224 118.700 -0.798 0.000 2.466 391 N HA 0.137 4.875 4.740 -0.004 0.000 0.263 391 N C -0.397 175.004 175.510 -0.181 0.000 1.178 391 N CA 0.186 52.676 53.050 -0.934 0.000 0.983 391 N CB -0.275 37.874 38.487 -0.563 0.000 1.331 391 N HN 0.436 nan 8.380 nan 0.000 0.500 392 D N 1.736 122.199 120.400 0.105 0.000 3.639 392 D HA -0.185 4.453 4.640 -0.004 0.000 0.253 392 D C 0.809 177.253 176.300 0.239 0.000 1.049 392 D CA 0.173 54.375 54.000 0.337 0.000 1.059 392 D CB -1.099 39.878 40.800 0.296 0.000 0.953 392 D HN 0.708 nan 8.370 nan 0.000 0.420 393 N N 1.355 120.207 118.700 0.253 0.000 2.049 393 N HA -0.290 4.448 4.740 -0.004 0.000 0.198 393 N C 1.680 177.294 175.510 0.173 0.000 1.030 393 N CA 2.198 55.371 53.050 0.205 0.000 0.870 393 N CB -0.454 38.184 38.487 0.251 0.000 1.045 393 N HN 0.671 nan 8.380 nan 0.000 0.434 394 Y N 1.083 121.438 120.300 0.093 0.000 2.181 394 Y HA -0.139 4.409 4.550 -0.003 0.000 0.288 394 Y C 2.529 178.455 175.900 0.044 0.000 1.146 394 Y CA 1.695 59.833 58.100 0.063 0.000 1.164 394 Y CB -0.281 38.213 38.460 0.056 0.000 0.982 394 Y HN -0.061 nan 8.280 nan 0.000 0.515 395 V N 0.124 120.180 119.914 0.238 0.000 2.453 395 V HA -0.277 3.840 4.120 -0.004 0.000 0.247 395 V C 2.247 178.382 176.094 0.067 0.000 1.048 395 V CA 1.857 64.249 62.300 0.153 0.000 1.049 395 V CB -0.513 31.434 31.823 0.207 0.000 0.672 395 V HN 0.410 nan 8.190 nan 0.000 0.457 396 I N -0.420 120.198 120.570 0.080 0.000 2.252 396 I HA -0.274 3.894 4.170 -0.004 0.000 0.245 396 I C 2.661 178.734 176.117 -0.073 0.000 1.102 396 I CA 1.537 62.879 61.300 0.071 0.000 1.385 396 I CB -0.386 37.674 38.000 0.101 0.000 1.064 396 I HN 0.341 nan 8.210 nan 0.000 0.414 397 Q N 0.170 119.867 119.800 -0.171 0.000 2.119 397 Q HA -0.149 4.188 4.340 -0.004 0.000 0.201 397 Q C 2.466 178.265 176.000 -0.334 0.000 0.972 397 Q CA 1.564 57.170 55.803 -0.328 0.000 0.847 397 Q CB -0.005 28.530 28.738 -0.339 0.000 0.903 397 Q HN 0.437 nan 8.270 nan 0.000 0.433 398 S N 0.696 116.216 115.700 -0.300 0.000 2.359 398 S HA -0.197 4.271 4.470 -0.004 0.000 0.224 398 S C 2.016 176.472 174.600 -0.239 0.000 1.035 398 S CA 1.167 59.197 58.200 -0.283 0.000 1.018 398 S CB -0.260 62.808 63.200 -0.219 0.000 0.876 398 S HN 0.513 nan 8.310 nan 0.000 0.448 399 A N 1.155 123.881 122.820 -0.156 0.000 1.877 399 A HA -0.045 4.273 4.320 -0.004 0.000 0.216 399 A C 2.150 179.592 177.584 -0.237 0.000 1.186 399 A CA 1.484 53.449 52.037 -0.120 0.000 0.620 399 A CB -0.723 18.320 19.000 0.071 0.000 0.822 399 A HN 0.426 nan 8.150 nan 0.000 0.443 400 L N -0.645 120.352 121.223 -0.376 0.000 2.027 400 L HA -0.062 4.276 4.340 -0.004 0.000 0.206 400 L C 2.077 178.607 176.870 -0.568 0.000 1.074 400 L CA 1.533 55.943 54.840 -0.716 0.000 0.745 400 L CB -0.397 41.091 42.059 -0.951 0.000 0.898 400 L HN 0.251 nan 8.230 nan 0.000 0.433 401 L N -0.355 120.583 121.223 -0.475 0.000 2.131 401 L HA -0.186 4.152 4.340 -0.004 0.000 0.210 401 L C 2.213 178.803 176.870 -0.467 0.000 1.092 401 L CA 1.463 56.039 54.840 -0.439 0.000 0.759 401 L CB -1.541 40.283 42.059 -0.392 0.000 0.903 401 L HN 0.369 nan 8.230 nan 0.000 0.435 402 D N -0.351 119.772 120.400 -0.461 0.000 2.117 402 D HA -0.197 4.441 4.640 -0.004 0.000 0.197 402 D C 2.167 178.261 176.300 -0.344 0.000 0.987 402 D CA 0.877 54.592 54.000 -0.475 0.000 0.829 402 D CB -0.055 40.337 40.800 -0.679 0.000 0.961 402 D HN 0.180 nan 8.370 nan 0.000 0.460 403 L N 0.527 121.541 121.223 -0.349 0.000 2.046 403 L HA -0.124 4.214 4.340 -0.004 0.000 0.208 403 L C 2.164 178.904 176.870 -0.216 0.000 1.077 403 L CA 1.329 56.092 54.840 -0.128 0.000 0.747 403 L CB -0.443 41.519 42.059 -0.162 0.000 0.896 403 L HN -0.130 nan 8.230 nan 0.000 0.432 404 V N -0.204 119.474 119.914 -0.393 0.000 2.427 404 V HA -0.277 3.841 4.120 -0.004 0.000 0.248 404 V C 2.494 178.475 176.094 -0.189 0.000 1.051 404 V CA 2.109 64.165 62.300 -0.408 0.000 1.048 404 V CB -0.417 31.097 31.823 -0.515 0.000 0.666 404 V HN 0.433 nan 8.190 nan 0.000 0.456 405 I N 0.397 120.831 120.570 -0.227 0.000 2.252 405 I HA -0.183 3.985 4.170 -0.004 0.000 0.245 405 I C 2.628 178.843 176.117 0.164 0.000 1.102 405 I CA 1.392 62.593 61.300 -0.165 0.000 1.385 405 I CB -0.553 37.034 38.000 -0.688 0.000 1.064 405 I HN 0.271 nan 8.210 nan 0.000 0.414 406 A N 0.431 123.434 122.820 0.305 0.000 2.019 406 A HA -0.190 4.128 4.320 -0.004 0.000 0.219 406 A C 2.161 179.906 177.584 0.269 0.000 1.164 406 A CA 2.164 54.491 52.037 0.485 0.000 0.644 406 A CB -0.965 18.482 19.000 0.746 0.000 0.805 406 A HN 0.530 nan 8.150 nan 0.000 0.449 407 T N -5.265 109.388 114.554 0.165 0.000 3.145 407 T HA 0.200 4.548 4.350 -0.004 0.000 0.255 407 T C 0.417 175.209 174.700 0.154 0.000 1.039 407 T CA 0.565 62.758 62.100 0.154 0.000 0.928 407 T CB -0.797 68.147 68.868 0.127 0.000 1.029 407 T HN 0.682 nan 8.240 nan 0.000 0.554 408 H N 0.983 119.995 119.070 -0.098 0.000 2.713 408 H HA -0.146 4.408 4.556 -0.004 0.000 0.311 408 H C -0.287 174.896 175.328 -0.242 0.000 1.175 408 H CA 0.180 55.952 56.048 -0.460 0.000 1.143 408 H CB -1.328 28.090 29.762 -0.573 0.000 1.434 408 H HN 0.335 nan 8.280 nan 0.000 0.418 409 N N 0.778 119.498 118.700 0.032 0.000 2.378 409 N HA 0.107 4.845 4.740 -0.004 0.000 0.243 409 N C -0.378 175.180 175.510 0.080 0.000 1.137 409 N CA 0.830 53.921 53.050 0.068 0.000 0.862 409 N CB 0.757 39.358 38.487 0.190 0.000 1.116 409 N HN 0.278 nan 8.380 nan 0.000 0.499 410 V N -4.718 115.257 119.914 0.102 0.000 2.789 410 V HA 0.847 4.964 4.120 -0.004 0.000 0.311 410 V C 1.039 177.271 176.094 0.229 0.000 1.073 410 V CA -0.483 61.937 62.300 0.200 0.000 0.921 410 V CB 1.379 33.377 31.823 0.291 0.000 1.009 410 V HN 0.167 nan 8.190 nan 0.000 0.426 411 G N 2.973 111.899 108.800 0.210 0.000 2.225 411 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.254 411 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.254 411 G C 0.372 175.308 174.900 0.061 0.000 0.988 411 G CA 0.374 45.569 45.100 0.159 0.000 0.625 411 G HN 0.877 nan 8.290 nan 0.000 0.527 412 R N 0.462 120.954 120.500 -0.013 0.000 2.474 412 R HA 0.535 4.873 4.340 -0.004 0.000 0.295 412 R C 0.248 176.548 176.300 0.001 0.000 0.980 412 R CA -1.077 54.975 56.100 -0.080 0.000 0.934 412 R CB 0.705 30.851 30.300 -0.257 0.000 1.101 412 R HN 0.053 nan 8.270 nan 0.000 0.469 413 R N 0.410 120.945 120.500 0.057 0.000 2.679 413 R HA 0.077 4.415 4.340 -0.004 0.000 0.268 413 R C 1.113 177.458 176.300 0.075 0.000 1.044 413 R CA 0.616 56.783 56.100 0.112 0.000 1.105 413 R CB -0.077 30.366 30.300 0.239 0.000 0.989 413 R HN 1.036 nan 8.270 nan 0.000 0.447 414 G N 0.260 109.106 108.800 0.076 0.000 2.179 414 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.260 414 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.260 414 G C 0.380 175.299 174.900 0.031 0.000 0.977 414 G CA 0.868 45.996 45.100 0.046 0.000 0.641 414 G HN 0.898 nan 8.290 nan 0.000 0.533 415 T N -2.972 111.612 114.554 0.051 0.000 2.598 415 T HA 0.967 5.315 4.350 -0.004 0.000 0.254 415 T C 0.660 175.430 174.700 0.117 0.000 0.889 415 T CA 0.307 62.455 62.100 0.080 0.000 1.091 415 T CB 2.024 70.932 68.868 0.067 0.000 1.437 415 T HN 2.295 nan 8.240 nan 0.000 0.542 416 G N -1.229 107.662 108.800 0.153 0.000 2.525 416 G HA2 0.274 4.231 3.960 -0.004 0.000 0.685 416 G HA3 0.274 4.231 3.960 -0.004 0.000 0.685 416 G C -0.720 174.300 174.900 0.200 0.000 1.285 416 G CA -0.487 44.718 45.100 0.175 0.000 0.849 416 G HN 1.538 nan 8.290 nan 0.000 0.653 417 C N 2.423 121.836 119.300 0.188 0.000 2.356 417 C HA 0.839 5.296 4.460 -0.004 0.000 0.324 417 C C 0.239 175.388 174.990 0.266 0.000 1.167 417 C CA 0.283 59.429 59.018 0.214 0.000 1.420 417 C CB -0.586 27.197 27.740 0.072 0.000 2.036 417 C HN 1.893 nan 8.230 nan 0.000 0.435 418 V N 4.143 124.174 119.914 0.195 0.000 2.876 418 V HA 0.664 4.782 4.120 -0.004 0.000 0.312 418 V C -0.283 175.510 176.094 -0.501 0.000 1.085 418 V CA -0.962 61.341 62.300 0.006 0.000 0.945 418 V CB 1.445 33.334 31.823 0.110 0.000 1.017 418 V HN 0.828 nan 8.190 nan 0.000 0.428 419 R N 2.622 122.781 120.500 -0.568 0.000 2.590 419 R HA 0.315 4.653 4.340 -0.004 0.000 0.274 419 R C 0.854 177.033 176.300 -0.202 0.000 1.061 419 R CA -0.439 55.260 56.100 -0.667 0.000 1.081 419 R CB 0.722 30.868 30.300 -0.257 0.000 0.984 419 R HN 0.749 nan 8.270 nan 0.000 0.448 420 M N 1.117 120.646 119.600 -0.119 0.000 2.447 420 M HA 0.072 4.550 4.480 -0.004 0.000 0.264 420 M C 0.906 177.267 176.300 0.102 0.000 1.095 420 M CA 0.871 56.230 55.300 0.099 0.000 1.125 420 M CB -0.724 31.936 32.600 0.101 0.000 1.389 420 M HN 0.948 nan 8.290 nan 0.000 0.459 421 G N -0.834 107.983 108.800 0.030 0.000 2.746 421 G HA2 -0.005 3.953 3.960 -0.004 0.000 0.685 421 G HA3 -0.005 3.953 3.960 -0.004 0.000 0.685 421 G C 0.150 175.091 174.900 0.069 0.000 1.350 421 G CA -0.341 44.798 45.100 0.065 0.000 0.837 421 G HN 0.458 nan 8.290 nan 0.000 0.564 422 G N -0.747 108.112 108.800 0.097 0.000 2.463 422 G HA2 0.531 4.489 3.960 -0.004 0.000 0.211 422 G HA3 0.531 4.489 3.960 -0.004 0.000 0.211 422 G C 0.457 175.415 174.900 0.097 0.000 1.881 422 G CA 0.601 45.738 45.100 0.062 0.000 0.722 422 G HN 0.948 nan 8.290 nan 0.000 0.709 423 H N 0.493 119.679 119.070 0.194 0.000 2.548 423 H HA 0.483 5.037 4.556 -0.004 0.000 0.366 423 H C 0.520 175.953 175.328 0.175 0.000 1.433 423 H CA -0.149 56.023 56.048 0.206 0.000 1.443 423 H CB 0.469 30.185 29.762 -0.077 0.000 1.594 423 H HN 0.280 nan 8.280 nan 0.000 0.608 424 Q N 0.389 120.368 119.800 0.299 0.000 2.584 424 Q HA 0.115 4.453 4.340 -0.004 0.000 0.218 424 Q C -0.260 175.854 176.000 0.191 0.000 1.079 424 Q CA -0.155 55.762 55.803 0.190 0.000 1.008 424 Q CB 0.559 29.368 28.738 0.117 0.000 1.267 424 Q HN 0.505 nan 8.270 nan 0.000 0.586 425 E N -0.600 119.665 120.200 0.108 0.000 2.207 425 E HA 0.531 4.879 4.350 -0.004 0.000 0.270 425 E C -0.691 175.805 176.600 -0.173 0.000 0.927 425 E CA -0.486 55.960 56.400 0.076 0.000 0.799 425 E CB 1.901 31.677 29.700 0.125 0.000 1.172 425 E HN 0.813 nan 8.360 nan 0.000 0.404 426 G N 2.324 110.935 108.800 -0.314 0.000 4.836 426 G HA2 0.051 4.009 3.960 -0.004 0.000 0.222 426 G HA3 0.051 4.009 3.960 -0.004 0.000 0.222 426 G C -1.410 173.151 174.900 -0.565 0.000 1.332 426 G CA -0.481 43.880 45.100 -1.231 0.000 0.606 426 G HN 0.359 nan 8.290 nan 0.000 0.357 427 Y N 1.936 122.188 120.300 -0.079 0.000 2.367 427 Y HA 0.635 5.183 4.550 -0.004 0.000 0.342 427 Y C -0.304 175.914 175.900 0.529 0.000 0.979 427 Y CA 0.031 58.292 58.100 0.269 0.000 1.161 427 Y CB 1.755 40.363 38.460 0.247 0.000 1.155 427 Y HN 0.102 nan 8.280 nan 0.000 0.503 428 T N 7.398 122.086 114.554 0.223 0.000 3.143 428 T HA 0.546 4.894 4.350 -0.004 0.000 0.312 428 T C -0.852 173.966 174.700 0.197 0.000 0.986 428 T CA -0.819 61.456 62.100 0.293 0.000 1.024 428 T CB 0.807 69.893 68.868 0.363 0.000 1.030 428 T HN 0.609 nan 8.240 nan 0.000 0.448 429 R N 2.285 122.904 120.500 0.198 0.000 2.734 429 R HA 0.521 4.859 4.340 -0.004 0.000 0.271 429 R C -3.097 173.491 176.300 0.481 0.000 1.021 429 R CA -2.100 54.178 56.100 0.295 0.000 0.893 429 R CB 2.089 32.362 30.300 -0.045 0.000 1.244 429 R HN 0.307 nan 8.270 nan 0.000 0.464 430 P HA 0.206 nan 4.420 nan 0.000 0.275 430 P C -2.518 174.987 177.300 0.342 0.000 1.266 430 P CA -1.379 61.940 63.100 0.365 0.000 0.793 430 P CB 0.084 31.922 31.700 0.230 0.000 1.074 431 P HA 0.029 nan 4.420 nan 0.000 0.272 431 P C -0.794 176.383 177.300 -0.205 0.000 1.223 431 P CA 0.017 63.177 63.100 0.101 0.000 0.784 431 P CB 0.012 31.745 31.700 0.055 0.000 0.923 432 Y N 5.266 125.279 120.300 -0.478 0.000 2.620 432 Y HA 0.098 4.646 4.550 -0.004 0.000 0.330 432 Y C -1.457 174.061 175.900 -0.637 0.000 1.186 432 Y CA -1.758 55.689 58.100 -1.089 0.000 1.467 432 Y CB -0.043 38.083 38.460 -0.557 0.000 1.262 432 Y HN 0.328 nan 8.280 nan 0.000 0.550 433 P HA 0.248 nan 4.420 nan 0.000 0.226 433 P C -0.372 176.491 177.300 -0.729 0.000 1.758 433 P CA 0.389 63.059 63.100 -0.717 0.000 0.896 433 P CB -0.194 31.207 31.700 -0.498 0.000 1.784 434 G N 0.677 109.001 108.800 -0.794 0.000 2.649 434 G HA2 0.430 4.388 3.960 -0.004 0.000 0.290 434 G HA3 0.430 4.388 3.960 -0.004 0.000 0.290 434 G C -1.052 173.803 174.900 -0.075 0.000 1.426 434 G CA -0.721 44.128 45.100 -0.419 0.000 0.794 434 G HN 0.102 nan 8.290 nan 0.000 0.483 435 D N -1.541 118.874 120.400 0.025 0.000 2.540 435 D HA 0.205 4.843 4.640 -0.004 0.000 0.229 435 D C 0.336 176.695 176.300 0.098 0.000 1.250 435 D CA -0.042 54.005 54.000 0.078 0.000 0.817 435 D CB 0.520 41.335 40.800 0.025 0.000 1.060 435 D HN 0.317 nan 8.370 nan 0.000 0.508 436 K N 0.371 120.853 120.400 0.137 0.000 2.238 436 K HA 0.489 4.807 4.320 -0.004 0.000 0.239 436 K C -0.445 176.237 176.600 0.137 0.000 0.987 436 K CA -0.965 55.386 56.287 0.106 0.000 0.857 436 K CB 1.937 34.486 32.500 0.082 0.000 1.154 436 K HN -0.143 nan 8.250 nan 0.000 0.439 437 K N 2.212 122.656 120.400 0.073 0.000 2.281 437 K HA 0.378 4.696 4.320 -0.004 0.000 0.272 437 K C -0.631 176.017 176.600 0.080 0.000 1.048 437 K CA -0.166 56.148 56.287 0.044 0.000 0.898 437 K CB 0.525 33.019 32.500 -0.011 0.000 1.128 437 K HN 0.380 nan 8.250 nan 0.000 0.460 438 I N 3.191 123.828 120.570 0.112 0.000 2.382 438 I HA 0.152 4.320 4.170 -0.004 0.000 0.286 438 I C -0.540 175.704 176.117 0.212 0.000 1.002 438 I CA -0.901 60.492 61.300 0.155 0.000 1.135 438 I CB 1.118 39.208 38.000 0.149 0.000 1.288 438 I HN 0.609 nan 8.210 nan 0.000 0.448 439 Y N 6.874 127.219 120.300 0.075 0.000 2.616 439 Y HA 0.142 4.690 4.550 -0.003 0.000 0.350 439 Y C 1.303 177.286 175.900 0.139 0.000 1.119 439 Y CA -0.744 57.403 58.100 0.080 0.000 1.467 439 Y CB 0.547 39.034 38.460 0.045 0.000 1.287 439 Y HN 0.584 nan 8.280 nan 0.000 0.504 440 I N 3.420 124.262 120.570 0.453 0.000 2.163 440 I HA -0.309 3.859 4.170 -0.004 0.000 0.243 440 I C 1.530 177.871 176.117 0.375 0.000 1.085 440 I CA 1.358 62.903 61.300 0.408 0.000 1.347 440 I CB -0.764 37.456 38.000 0.367 0.000 1.044 440 I HN 0.644 nan 8.210 nan 0.000 0.408 441 D N 0.557 121.182 120.400 0.376 0.000 2.149 441 D HA -0.186 4.451 4.640 -0.004 0.000 0.198 441 D C 2.297 178.618 176.300 0.034 0.000 0.990 441 D CA 0.973 55.122 54.000 0.247 0.000 0.839 441 D CB -0.269 40.707 40.800 0.294 0.000 0.948 441 D HN 0.451 nan 8.370 nan 0.000 0.460 442 Q N 0.072 119.739 119.800 -0.221 0.000 2.084 442 Q HA -0.133 4.205 4.340 -0.004 0.000 0.202 442 Q C 1.901 177.864 176.000 -0.061 0.000 0.978 442 Q CA 0.831 56.457 55.803 -0.296 0.000 0.844 442 Q CB 0.046 28.453 28.738 -0.551 0.000 0.898 442 Q HN 0.275 nan 8.270 nan 0.000 0.426 443 E N 0.758 120.997 120.200 0.066 0.000 2.106 443 E HA -0.128 4.220 4.350 -0.004 0.000 0.192 443 E C 2.111 178.740 176.600 0.048 0.000 0.984 443 E CA 0.800 57.286 56.400 0.143 0.000 0.806 443 E CB -0.160 29.761 29.700 0.369 0.000 0.750 443 E HN 0.366 nan 8.360 nan 0.000 0.458 444 L N 0.300 121.540 121.223 0.028 0.000 2.056 444 L HA -0.113 4.225 4.340 -0.004 0.000 0.207 444 L C 2.536 179.385 176.870 -0.035 0.000 1.078 444 L CA 0.762 55.544 54.840 -0.096 0.000 0.749 444 L CB -0.369 41.678 42.059 -0.020 0.000 0.901 444 L HN 0.068 nan 8.230 nan 0.000 0.433 445 I N -0.122 120.450 120.570 0.004 0.000 2.264 445 I HA -0.293 3.875 4.170 -0.004 0.000 0.248 445 I C 2.086 178.195 176.117 -0.014 0.000 1.111 445 I CA 1.432 62.733 61.300 0.001 0.000 1.382 445 I CB -0.195 37.800 38.000 -0.007 0.000 1.060 445 I HN 0.180 nan 8.210 nan 0.000 0.418 446 K N 0.558 120.947 120.400 -0.018 0.000 2.525 446 K HA 0.097 4.415 4.320 -0.004 0.000 0.192 446 K C 1.159 177.746 176.600 -0.021 0.000 1.029 446 K CA 0.652 56.930 56.287 -0.014 0.000 1.029 446 K CB 0.179 32.678 32.500 -0.002 0.000 0.814 446 K HN 0.495 nan 8.250 nan 0.000 0.503 447 G N 1.303 110.077 108.800 -0.042 0.000 2.157 447 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.239 447 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.239 447 G C -0.137 174.709 174.900 -0.091 0.000 0.982 447 G CA -0.283 44.781 45.100 -0.060 0.000 0.650 447 G HN 0.042 nan 8.290 nan 0.000 0.527 448 K N 0.757 121.093 120.400 -0.106 0.000 2.126 448 K HA 0.629 4.947 4.320 -0.004 0.000 0.257 448 K C 0.901 177.268 176.600 -0.389 0.000 1.007 448 K CA 0.633 56.855 56.287 -0.109 0.000 0.928 448 K CB 0.848 33.396 32.500 0.079 0.000 1.013 448 K HN 1.675 nan 8.250 nan 0.000 0.473 449 G N 1.273 109.930 108.800 -0.237 0.000 2.705 449 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.686 449 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.686 449 G C 0.170 174.959 174.900 -0.185 0.000 1.285 449 G CA -0.605 44.316 45.100 -0.298 0.000 0.800 449 G HN 0.466 nan 8.290 nan 0.000 0.611 450 R N 0.100 120.562 120.500 -0.064 0.000 2.195 450 R HA 0.370 4.708 4.340 -0.004 0.000 0.197 450 R C 1.280 177.568 176.300 -0.020 0.000 0.990 450 R CA 0.918 56.979 56.100 -0.065 0.000 1.048 450 R CB 0.348 30.640 30.300 -0.012 0.000 0.997 450 R HN 0.764 nan 8.270 nan 0.000 0.502 451 I N 0.767 121.333 120.570 -0.007 0.000 2.619 451 I HA 0.403 4.571 4.170 -0.004 0.000 0.292 451 I C -1.698 174.385 176.117 -0.056 0.000 1.100 451 I CA -1.166 60.150 61.300 0.027 0.000 1.043 451 I CB 2.073 40.065 38.000 -0.012 0.000 1.239 451 I HN -0.123 nan 8.210 nan 0.000 0.420 452 M N 6.656 126.212 119.600 -0.074 0.000 2.326 452 M HA 0.517 4.995 4.480 -0.004 0.000 0.306 452 M C -1.638 174.518 176.300 -0.241 0.000 1.054 452 M CA 0.054 55.212 55.300 -0.237 0.000 0.922 452 M CB 1.858 34.237 32.600 -0.368 0.000 1.632 452 M HN 0.474 nan 8.290 nan 0.000 0.436 453 T N 4.655 119.006 114.554 -0.339 0.000 2.786 453 T HA 0.430 4.778 4.350 -0.004 0.000 0.283 453 T C -1.401 173.257 174.700 -0.071 0.000 0.992 453 T CA -0.288 61.748 62.100 -0.107 0.000 0.954 453 T CB 0.640 69.505 68.868 -0.006 0.000 0.934 453 T HN 0.558 nan 8.240 nan 0.000 0.440 454 W N 3.509 124.906 121.300 0.162 0.000 2.338 454 W HA 0.319 4.977 4.660 -0.004 0.000 0.307 454 W C -0.780 175.912 176.519 0.288 0.000 1.167 454 W CA -0.856 56.621 57.345 0.220 0.000 1.208 454 W CB 1.293 30.808 29.460 0.092 0.000 1.228 454 W HN 0.555 nan 8.180 nan 0.000 0.499 455 W N 3.869 125.391 121.300 0.370 0.000 2.463 455 W HA 0.377 5.035 4.660 -0.003 0.000 0.316 455 W C 0.792 177.564 176.519 0.422 0.000 1.004 455 W CA -1.289 56.261 57.345 0.341 0.000 1.309 455 W CB 1.025 30.662 29.460 0.295 0.000 1.288 455 W HN 0.735 nan 8.180 nan 0.000 0.423 456 G N 3.150 112.360 108.800 0.683 0.000 2.198 456 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.260 456 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.260 456 G C -0.086 175.052 174.900 0.397 0.000 1.025 456 G CA 0.433 45.815 45.100 0.471 0.000 0.769 456 G HN 1.325 nan 8.290 nan 0.000 0.507 457 C N -2.358 117.182 119.300 0.400 0.000 3.321 457 C HA 0.866 5.323 4.460 -0.004 0.000 0.329 457 C C -0.474 174.678 174.990 0.270 0.000 1.394 457 C CA -1.025 58.224 59.018 0.384 0.000 1.291 457 C CB 1.981 30.044 27.740 0.538 0.000 1.606 457 C HN 0.830 nan 8.230 nan 0.000 0.463 458 N N 0.220 119.029 118.700 0.183 0.000 2.725 458 N HA 0.270 5.008 4.740 -0.004 0.000 0.248 458 N C -0.144 175.366 175.510 -0.001 0.000 1.402 458 N CA -0.237 52.795 53.050 -0.031 0.000 0.766 458 N CB -0.224 38.244 38.487 -0.031 0.000 1.223 458 N HN 0.832 nan 8.380 nan 0.000 0.515 459 N N 0.697 119.374 118.700 -0.037 0.000 2.520 459 N HA 0.014 4.752 4.740 -0.004 0.000 0.185 459 N C 0.817 176.439 175.510 0.187 0.000 1.068 459 N CA 0.546 53.699 53.050 0.170 0.000 0.911 459 N CB 0.094 38.844 38.487 0.439 0.000 0.961 459 N HN 0.447 nan 8.380 nan 0.000 0.446 460 F N 1.049 120.840 119.950 -0.265 0.000 2.216 460 F HA -0.169 4.356 4.527 -0.004 0.000 0.300 460 F C 2.339 178.082 175.800 -0.095 0.000 1.085 460 F CA 0.722 58.607 58.000 -0.191 0.000 1.326 460 F CB 0.150 39.000 39.000 -0.250 0.000 1.027 460 F HN 0.149 nan 8.300 nan 0.000 0.497 461 Q N -1.127 118.740 119.800 0.112 0.000 2.396 461 Q HA -0.026 4.312 4.340 -0.004 0.000 0.209 461 Q C 1.561 177.592 176.000 0.052 0.000 0.906 461 Q CA 1.312 57.134 55.803 0.032 0.000 0.927 461 Q CB 0.453 29.174 28.738 -0.029 0.000 1.069 461 Q HN 0.360 nan 8.270 nan 0.000 0.523 462 T N -4.424 110.204 114.554 0.125 0.000 3.058 462 T HA 0.257 4.605 4.350 -0.004 0.000 0.278 462 T C 0.706 175.544 174.700 0.229 0.000 0.974 462 T CA -0.358 61.854 62.100 0.187 0.000 0.893 462 T CB 0.570 69.579 68.868 0.236 0.000 1.138 462 T HN -0.175 nan 8.240 nan 0.000 0.529 463 S N 3.725 119.567 115.700 0.238 0.000 2.584 463 S HA 0.324 4.792 4.470 -0.004 0.000 0.270 463 S C 0.531 175.294 174.600 0.271 0.000 1.346 463 S CA -0.712 57.653 58.200 0.275 0.000 1.018 463 S CB 0.223 63.578 63.200 0.259 0.000 0.899 463 S HN 0.754 nan 8.310 nan 0.000 0.542 464 N N 1.989 120.815 118.700 0.211 0.000 2.503 464 N HA 0.028 4.766 4.740 -0.004 0.000 0.267 464 N C -0.103 175.448 175.510 0.068 0.000 1.214 464 N CA -0.229 52.843 53.050 0.036 0.000 0.959 464 N CB -0.201 38.047 38.487 -0.398 0.000 1.142 464 N HN 0.651 nan 8.380 nan 0.000 0.455 465 N N -0.959 117.762 118.700 0.036 0.000 2.727 465 N HA -0.230 4.508 4.740 -0.004 0.000 0.249 465 N C 0.594 176.168 175.510 0.106 0.000 1.048 465 N CA 0.763 53.871 53.050 0.096 0.000 0.714 465 N CB -1.173 37.400 38.487 0.144 0.000 0.959 465 N HN 0.726 nan 8.380 nan 0.000 0.544 466 A N -0.154 122.715 122.820 0.081 0.000 1.972 466 A HA -0.215 4.102 4.320 -0.004 0.000 0.219 466 A C 1.984 179.559 177.584 -0.015 0.000 1.169 466 A CA 1.991 54.057 52.037 0.049 0.000 0.635 466 A CB -0.372 18.653 19.000 0.042 0.000 0.810 466 A HN 0.729 nan 8.150 nan 0.000 0.446 467 Q N -0.490 119.313 119.800 0.005 0.000 2.079 467 Q HA -0.071 4.267 4.340 -0.004 0.000 0.200 467 Q C 2.114 178.097 176.000 -0.027 0.000 0.974 467 Q CA 1.544 57.331 55.803 -0.028 0.000 0.840 467 Q CB -0.367 28.377 28.738 0.009 0.000 0.898 467 Q HN 0.583 nan 8.270 nan 0.000 0.430 468 A N 0.574 123.411 122.820 0.028 0.000 1.933 468 A HA -0.156 4.161 4.320 -0.004 0.000 0.218 468 A C 1.955 179.542 177.584 0.004 0.000 1.175 468 A CA 1.263 53.316 52.037 0.025 0.000 0.628 468 A CB -0.656 18.386 19.000 0.069 0.000 0.814 468 A HN 0.499 nan 8.150 nan 0.000 0.444 469 L N -0.165 121.065 121.223 0.012 0.000 2.005 469 L HA -0.094 4.243 4.340 -0.004 0.000 0.207 469 L C 2.476 179.294 176.870 -0.086 0.000 1.072 469 L CA 1.878 56.738 54.840 0.034 0.000 0.744 469 L CB -0.560 41.565 42.059 0.110 0.000 0.895 469 L HN 0.316 nan 8.230 nan 0.000 0.433 470 R N -0.291 120.032 120.500 -0.295 0.000 2.091 470 R HA -0.179 4.159 4.340 -0.004 0.000 0.238 470 R C 2.112 178.230 176.300 -0.303 0.000 1.136 470 R CA 1.774 57.501 56.100 -0.621 0.000 0.959 470 R CB -0.503 29.334 30.300 -0.773 0.000 0.856 470 R HN 0.561 nan 8.270 nan 0.000 0.437 471 E N 0.600 120.700 120.200 -0.167 0.000 2.049 471 E HA -0.221 4.127 4.350 -0.004 0.000 0.198 471 E C 2.085 178.657 176.600 -0.047 0.000 1.007 471 E CA 1.510 57.858 56.400 -0.087 0.000 0.809 471 E CB -0.169 29.500 29.700 -0.052 0.000 0.749 471 E HN 0.373 nan 8.360 nan 0.000 0.450 472 A N 1.166 123.973 122.820 -0.022 0.000 1.898 472 A HA -0.153 4.165 4.320 -0.004 0.000 0.216 472 A C 2.152 179.765 177.584 0.049 0.000 1.181 472 A CA 1.037 53.083 52.037 0.014 0.000 0.620 472 A CB -0.361 18.655 19.000 0.027 0.000 0.819 472 A HN 0.116 nan 8.150 nan 0.000 0.442 473 I N -0.017 120.607 120.570 0.091 0.000 2.315 473 I HA -0.178 3.989 4.170 -0.004 0.000 0.248 473 I C 2.418 178.623 176.117 0.147 0.000 1.117 473 I CA 1.058 62.476 61.300 0.197 0.000 1.404 473 I CB -1.360 36.895 38.000 0.426 0.000 1.071 473 I HN 0.282 nan 8.210 nan 0.000 0.419 474 L N -0.023 121.245 121.223 0.074 0.000 2.046 474 L HA -0.227 4.111 4.340 -0.004 0.000 0.208 474 L C 2.682 179.569 176.870 0.028 0.000 1.077 474 L CA 1.331 56.199 54.840 0.045 0.000 0.747 474 L CB -0.567 41.484 42.059 -0.014 0.000 0.896 474 L HN 0.288 nan 8.230 nan 0.000 0.432 475 Q N -0.330 119.481 119.800 0.019 0.000 2.046 475 Q HA -0.179 4.159 4.340 -0.004 0.000 0.200 475 Q C 2.407 178.425 176.000 0.030 0.000 0.975 475 Q CA 1.367 57.179 55.803 0.016 0.000 0.836 475 Q CB -0.035 28.706 28.738 0.005 0.000 0.896 475 Q HN 0.452 nan 8.270 nan 0.000 0.428 476 R N -0.137 120.389 120.500 0.043 0.000 2.092 476 R HA -0.078 4.260 4.340 -0.004 0.000 0.231 476 R C 2.537 178.890 176.300 0.089 0.000 1.119 476 R CA 1.273 57.402 56.100 0.048 0.000 0.970 476 R CB -0.344 29.982 30.300 0.043 0.000 0.864 476 R HN 0.117 nan 8.270 nan 0.000 0.440 477 S N 0.792 116.562 115.700 0.116 0.000 2.368 477 S HA -0.123 4.345 4.470 -0.004 0.000 0.225 477 S C 2.120 176.827 174.600 0.180 0.000 1.030 477 S CA 1.160 59.473 58.200 0.188 0.000 0.999 477 S CB -0.079 63.127 63.200 0.011 0.000 0.844 477 S HN 0.413 nan 8.310 nan 0.000 0.459 478 A N 1.400 124.264 122.820 0.074 0.000 1.933 478 A HA 0.018 4.336 4.320 -0.004 0.000 0.218 478 A C 2.117 179.731 177.584 0.050 0.000 1.175 478 A CA 1.500 53.565 52.037 0.047 0.000 0.628 478 A CB -0.789 18.222 19.000 0.018 0.000 0.814 478 A HN 0.647 nan 8.150 nan 0.000 0.444 479 I N -0.646 119.949 120.570 0.041 0.000 2.286 479 I HA -0.215 3.953 4.170 -0.004 0.000 0.248 479 I C 2.309 178.433 176.117 0.012 0.000 1.115 479 I CA 1.034 62.345 61.300 0.019 0.000 1.392 479 I CB -0.279 37.724 38.000 0.005 0.000 1.065 479 I HN 0.160 nan 8.210 nan 0.000 0.418 480 V N 0.845 120.768 119.914 0.015 0.000 2.307 480 V HA -0.262 3.856 4.120 -0.004 0.000 0.245 480 V C 2.426 178.505 176.094 -0.024 0.000 1.045 480 V CA 1.787 64.056 62.300 -0.052 0.000 1.024 480 V CB -0.579 31.112 31.823 -0.220 0.000 0.651 480 V HN 0.371 nan 8.190 nan 0.000 0.449 481 K N -0.299 120.138 120.400 0.062 0.000 2.032 481 K HA -0.248 4.070 4.320 -0.004 0.000 0.209 481 K C 2.268 178.905 176.600 0.063 0.000 1.048 481 K CA 1.818 58.171 56.287 0.109 0.000 0.927 481 K CB -0.274 32.317 32.500 0.151 0.000 0.712 481 K HN 0.523 nan 8.250 nan 0.000 0.441 482 Q N 0.027 119.853 119.800 0.044 0.000 2.135 482 Q HA -0.170 4.168 4.340 -0.004 0.000 0.204 482 Q C 2.183 178.191 176.000 0.013 0.000 0.981 482 Q CA 1.540 57.358 55.803 0.026 0.000 0.856 482 Q CB -0.205 28.544 28.738 0.018 0.000 0.902 482 Q HN 0.371 nan 8.270 nan 0.000 0.425 483 A N 0.596 123.420 122.820 0.005 0.000 1.930 483 A HA -0.142 4.176 4.320 -0.004 0.000 0.217 483 A C 2.009 179.592 177.584 -0.002 0.000 1.175 483 A CA 1.183 53.219 52.037 -0.003 0.000 0.627 483 A CB -0.396 18.596 19.000 -0.012 0.000 0.815 483 A HN 0.284 nan 8.150 nan 0.000 0.443 484 M N -0.980 118.622 119.600 0.003 0.000 2.296 484 M HA -0.179 4.299 4.480 -0.004 0.000 0.265 484 M C 2.238 178.537 176.300 -0.001 0.000 1.064 484 M CA 1.236 56.539 55.300 0.004 0.000 1.109 484 M CB -0.306 32.303 32.600 0.016 0.000 1.396 484 M HN 0.473 nan 8.290 nan 0.000 0.430 485 Q N 0.401 120.203 119.800 0.003 0.000 2.226 485 Q HA -0.165 4.173 4.340 -0.004 0.000 0.204 485 Q C 1.650 177.645 176.000 -0.008 0.000 0.975 485 Q CA 1.215 57.016 55.803 -0.004 0.000 0.866 485 Q CB -0.031 28.710 28.738 0.005 0.000 0.915 485 Q HN 0.501 nan 8.270 nan 0.000 0.440 486 K N 0.027 120.423 120.400 -0.006 0.000 2.366 486 K HA 0.109 4.427 4.320 -0.004 0.000 0.198 486 K C 0.585 177.179 176.600 -0.010 0.000 1.044 486 K CA 0.217 56.500 56.287 -0.007 0.000 0.973 486 K CB 0.233 32.730 32.500 -0.006 0.000 0.767 486 K HN 0.066 nan 8.250 nan 0.000 0.475 487 A N 1.949 124.762 122.820 -0.011 0.000 2.425 487 A HA 0.272 4.590 4.320 -0.004 0.000 0.242 487 A C -0.121 177.453 177.584 -0.017 0.000 1.077 487 A CA -0.033 51.996 52.037 -0.013 0.000 0.781 487 A CB 0.388 19.381 19.000 -0.011 0.000 1.020 487 A HN 0.090 nan 8.150 nan 0.000 0.494 488 R N 0.134 120.624 120.500 -0.018 0.000 2.510 488 R HA 0.442 4.780 4.340 -0.004 0.000 0.287 488 R C 0.367 176.654 176.300 -0.022 0.000 1.084 488 R CA 0.096 56.183 56.100 -0.021 0.000 0.934 488 R CB 1.058 31.347 30.300 -0.019 0.000 1.201 488 R HN 1.934 nan 8.270 nan 0.000 0.431 489 G N 1.391 110.175 108.800 -0.027 0.000 2.225 489 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.267 489 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.267 489 G C 0.245 175.128 174.900 -0.027 0.000 1.024 489 G CA 0.503 45.585 45.100 -0.029 0.000 0.784 489 G HN 0.843 nan 8.290 nan 0.000 0.507 490 A N 0.504 123.310 122.820 -0.024 0.000 2.450 490 A HA 0.683 5.001 4.320 -0.004 0.000 0.255 490 A C 1.146 178.719 177.584 -0.018 0.000 1.096 490 A CA 0.922 52.947 52.037 -0.019 0.000 0.778 490 A CB 0.202 19.195 19.000 -0.012 0.000 1.031 490 A HN 1.718 nan 8.150 nan 0.000 0.494 491 T N 0.414 114.958 114.554 -0.017 0.000 2.766 491 T HA 0.239 4.587 4.350 -0.004 0.000 0.295 491 T C 1.366 176.072 174.700 0.011 0.000 1.024 491 T CA 0.387 62.480 62.100 -0.012 0.000 1.018 491 T CB 0.272 69.131 68.868 -0.016 0.000 1.002 491 T HN 0.539 nan 8.240 nan 0.000 0.532 492 T N 1.159 115.737 114.554 0.040 0.000 2.684 492 T HA -0.123 4.224 4.350 -0.004 0.000 0.267 492 T C 1.837 176.538 174.700 0.001 0.000 1.036 492 T CA 1.971 64.120 62.100 0.081 0.000 1.148 492 T CB -0.499 68.443 68.868 0.123 0.000 0.863 492 T HN 0.755 nan 8.240 nan 0.000 0.436 493 E N 1.210 121.397 120.200 -0.022 0.000 2.085 493 E HA -0.115 4.233 4.350 -0.004 0.000 0.194 493 E C 2.260 178.831 176.600 -0.049 0.000 0.994 493 E CA 1.128 57.497 56.400 -0.053 0.000 0.801 493 E CB -0.232 29.435 29.700 -0.056 0.000 0.743 493 E HN 0.604 nan 8.360 nan 0.000 0.453 494 E N -0.286 119.895 120.200 -0.032 0.000 2.106 494 E HA -0.178 4.170 4.350 -0.004 0.000 0.192 494 E C 1.884 178.469 176.600 -0.025 0.000 0.984 494 E CA 1.064 57.447 56.400 -0.028 0.000 0.806 494 E CB -0.100 29.588 29.700 -0.021 0.000 0.750 494 E HN 0.152 nan 8.360 nan 0.000 0.458 495 M N 0.454 120.043 119.600 -0.018 0.000 2.200 495 M HA -0.090 4.388 4.480 -0.004 0.000 0.265 495 M C 2.004 178.273 176.300 -0.051 0.000 1.066 495 M CA 1.101 56.390 55.300 -0.017 0.000 1.127 495 M CB 0.031 32.640 32.600 0.014 0.000 1.379 495 M HN -0.074 nan 8.290 nan 0.000 0.420 496 V N 0.735 120.603 119.914 -0.077 0.000 2.332 496 V HA -0.298 3.820 4.120 -0.004 0.000 0.248 496 V C 1.871 177.929 176.094 -0.061 0.000 1.055 496 V CA 2.157 64.385 62.300 -0.121 0.000 1.038 496 V CB -0.957 30.778 31.823 -0.147 0.000 0.651 496 V HN 0.427 nan 8.190 nan 0.000 0.450 497 D N -0.303 120.071 120.400 -0.044 0.000 2.144 497 D HA -0.102 4.535 4.640 -0.004 0.000 0.200 497 D C 2.171 178.492 176.300 0.036 0.000 0.978 497 D CA 1.055 55.056 54.000 0.001 0.000 0.833 497 D CB -0.268 40.519 40.800 -0.022 0.000 0.961 497 D HN 0.326 nan 8.370 nan 0.000 0.470 498 V N 1.210 121.127 119.914 0.005 0.000 2.295 498 V HA -0.218 3.900 4.120 -0.004 0.000 0.246 498 V C 2.501 178.595 176.094 0.000 0.000 1.049 498 V CA 1.168 63.470 62.300 0.003 0.000 1.024 498 V CB -0.316 31.503 31.823 -0.007 0.000 0.648 498 V HN 0.162 nan 8.190 nan 0.000 0.447 499 I N -1.329 119.232 120.570 -0.015 0.000 2.202 499 I HA -0.263 3.905 4.170 -0.004 0.000 0.242 499 I C 2.404 178.509 176.117 -0.020 0.000 1.091 499 I CA 1.905 63.184 61.300 -0.035 0.000 1.368 499 I CB -0.432 37.509 38.000 -0.098 0.000 1.058 499 I HN 0.331 nan 8.210 nan 0.000 0.410 500 Y N 1.847 122.085 120.300 -0.103 0.000 2.165 500 Y HA -0.358 4.190 4.550 -0.004 0.000 0.286 500 Y C 2.536 178.404 175.900 -0.053 0.000 1.155 500 Y CA 2.241 60.291 58.100 -0.084 0.000 1.164 500 Y CB -0.158 38.248 38.460 -0.091 0.000 0.978 500 Y HN 0.185 nan 8.280 nan 0.000 0.513 501 E N 0.402 120.638 120.200 0.060 0.000 2.110 501 E HA -0.199 4.149 4.350 -0.004 0.000 0.193 501 E C 2.135 178.683 176.600 -0.087 0.000 0.988 501 E CA 1.468 57.861 56.400 -0.012 0.000 0.804 501 E CB -0.519 29.202 29.700 0.034 0.000 0.745 501 E HN 0.489 nan 8.360 nan 0.000 0.458 502 A N -0.067 122.708 122.820 -0.074 0.000 1.933 502 A HA -0.172 4.146 4.320 -0.004 0.000 0.218 502 A C 2.457 179.974 177.584 -0.111 0.000 1.175 502 A CA 2.261 54.255 52.037 -0.072 0.000 0.628 502 A CB -1.325 17.645 19.000 -0.051 0.000 0.814 502 A HN 0.515 nan 8.150 nan 0.000 0.444 503 T N -2.379 112.067 114.554 -0.180 0.000 2.962 503 T HA -0.138 4.210 4.350 -0.004 0.000 0.270 503 T C 1.636 176.192 174.700 -0.240 0.000 1.088 503 T CA 1.423 63.395 62.100 -0.213 0.000 1.127 503 T CB -0.397 68.308 68.868 -0.270 0.000 0.883 503 T HN 0.611 nan 8.240 nan 0.000 0.493 504 Q N 0.845 120.480 119.800 -0.275 0.000 2.435 504 Q HA 0.144 4.481 4.340 -0.004 0.000 0.207 504 Q C 0.985 176.920 176.000 -0.108 0.000 0.956 504 Q CA 0.463 56.149 55.803 -0.196 0.000 0.917 504 Q CB 0.056 28.692 28.738 -0.169 0.000 0.997 504 Q HN 0.570 nan 8.270 nan 0.000 0.497 505 N N -0.737 117.906 118.700 -0.094 0.000 2.389 505 N HA 0.121 4.859 4.740 -0.004 0.000 0.260 505 N C 0.279 175.759 175.510 -0.050 0.000 1.191 505 N CA 0.609 53.624 53.050 -0.058 0.000 0.885 505 N CB 1.645 40.105 38.487 -0.044 0.000 1.162 505 N HN 0.321 nan 8.380 nan 0.000 0.512 506 G N -0.113 108.651 108.800 -0.061 0.000 2.213 506 G HA2 -0.229 3.728 3.960 -0.004 0.000 0.236 506 G HA3 -0.229 3.728 3.960 -0.004 0.000 0.236 506 G C 0.541 175.416 174.900 -0.042 0.000 0.991 506 G CA -0.126 44.946 45.100 -0.047 0.000 0.629 506 G HN 0.532 nan 8.290 nan 0.000 0.517 507 G N -0.642 108.129 108.800 -0.048 0.000 2.651 507 G HA2 0.654 4.612 3.960 -0.004 0.000 0.260 507 G HA3 0.654 4.612 3.960 -0.004 0.000 0.260 507 G C -0.652 174.233 174.900 -0.026 0.000 1.216 507 G CA 0.237 45.323 45.100 -0.024 0.000 0.913 507 G HN 1.253 nan 8.290 nan 0.000 0.535 508 L N -0.483 120.760 121.223 0.033 0.000 2.505 508 L HA 0.580 4.918 4.340 -0.004 0.000 0.266 508 L C -1.311 175.665 176.870 0.178 0.000 0.954 508 L CA -0.862 54.011 54.840 0.054 0.000 0.852 508 L CB 1.872 43.952 42.059 0.036 0.000 1.282 508 L HN 0.490 nan 8.230 nan 0.000 0.403 509 F N 5.402 125.357 119.950 0.009 0.000 2.427 509 F HA 0.663 5.188 4.527 -0.004 0.000 0.352 509 F C -0.554 175.378 175.800 0.220 0.000 1.100 509 F CA -0.135 57.915 58.000 0.083 0.000 1.191 509 F CB 1.056 40.044 39.000 -0.021 0.000 1.128 509 F HN 0.256 nan 8.300 nan 0.000 0.533 510 V N 5.400 125.314 119.914 0.000 0.000 2.448 510 V HA 0.400 4.518 4.120 -0.004 0.000 0.295 510 V C -0.282 175.709 176.094 -0.173 0.000 1.025 510 V CA -0.512 61.767 62.300 -0.035 0.000 0.859 510 V CB 1.747 33.566 31.823 -0.006 0.000 0.988 510 V HN 0.848 nan 8.190 nan 0.000 0.431 511 T N 3.173 117.750 114.554 0.037 0.000 2.856 511 T HA 0.553 4.901 4.350 -0.004 0.000 0.283 511 T C -0.407 174.343 174.700 0.083 0.000 1.008 511 T CA -0.477 61.655 62.100 0.054 0.000 0.997 511 T CB 1.723 70.706 68.868 0.190 0.000 0.992 511 T HN 0.641 nan 8.240 nan 0.000 0.454 512 S N 2.069 117.774 115.700 0.008 0.000 2.532 512 S HA 0.709 5.177 4.470 -0.004 0.000 0.299 512 S C -1.038 173.493 174.600 -0.115 0.000 1.105 512 S CA -0.782 57.432 58.200 0.024 0.000 1.018 512 S CB 0.318 63.519 63.200 0.001 0.000 1.021 512 S HN 0.581 nan 8.310 nan 0.000 0.483 513 I N 5.158 125.637 120.570 -0.151 0.000 2.382 513 I HA 0.505 4.672 4.170 -0.004 0.000 0.285 513 I C 0.028 176.113 176.117 -0.054 0.000 1.007 513 I CA -0.576 60.558 61.300 -0.278 0.000 1.142 513 I CB 1.338 38.842 38.000 -0.827 0.000 1.289 513 I HN 0.593 nan 8.210 nan 0.000 0.453 514 N N 4.670 123.337 118.700 -0.055 0.000 3.106 514 N HA 0.408 5.146 4.740 -0.004 0.000 0.253 514 N C 0.003 175.453 175.510 -0.100 0.000 1.506 514 N CA -0.568 52.465 53.050 -0.029 0.000 0.876 514 N CB 2.037 40.506 38.487 -0.030 0.000 1.452 514 N HN 0.393 nan 8.380 nan 0.000 0.542 515 L N 0.166 121.295 121.223 -0.156 0.000 2.307 515 L HA 0.212 4.550 4.340 -0.004 0.000 0.211 515 L C -0.055 176.486 176.870 -0.548 0.000 1.099 515 L CA 0.753 55.371 54.840 -0.370 0.000 0.816 515 L CB -0.063 41.722 42.059 -0.457 0.000 0.952 515 L HN 0.436 nan 8.230 nan 0.000 0.455 516 Y N -2.125 118.152 120.300 -0.039 0.000 2.638 516 Y HA 0.295 4.843 4.550 -0.004 0.000 0.339 516 Y C -1.779 174.074 175.900 -0.079 0.000 1.084 516 Y CA -1.809 56.283 58.100 -0.014 0.000 1.068 516 Y CB 0.840 39.367 38.460 0.111 0.000 1.294 516 Y HN -0.325 nan 8.280 nan 0.000 0.480 517 P HA -0.110 nan 4.420 nan 0.000 0.215 517 P C 0.116 177.363 177.300 -0.089 0.000 1.157 517 P CA 2.468 65.505 63.100 -0.105 0.000 0.863 517 P CB -0.017 31.589 31.700 -0.157 0.000 0.787 518 T N -3.043 111.500 114.554 -0.019 0.000 0.541 518 T HA -0.256 4.092 4.350 -0.004 0.000 0.774 518 T C 0.911 175.547 174.700 -0.107 0.000 0.992 518 T CA 0.984 63.046 62.100 -0.063 0.000 4.077 518 T CB -1.275 67.550 68.868 -0.071 0.000 2.303 518 T HN 0.162 nan 8.240 nan 0.000 0.398 519 K N 0.513 120.853 120.400 -0.099 0.000 2.360 519 K HA 0.070 4.388 4.320 -0.004 0.000 0.201 519 K C 2.270 178.785 176.600 -0.141 0.000 1.046 519 K CA 1.592 57.849 56.287 -0.050 0.000 0.945 519 K CB -0.460 32.068 32.500 0.047 0.000 0.750 519 K HN 0.544 nan 8.250 nan 0.000 0.464 520 L N 0.281 121.281 121.223 -0.372 0.000 2.265 520 L HA -0.164 4.174 4.340 -0.004 0.000 0.215 520 L C 2.388 179.046 176.870 -0.353 0.000 1.117 520 L CA 0.716 55.140 54.840 -0.694 0.000 0.782 520 L CB -0.574 41.103 42.059 -0.636 0.000 0.914 520 L HN 0.181 nan 8.230 nan 0.000 0.441 521 A N -0.001 122.705 122.820 -0.190 0.000 2.125 521 A HA -0.191 4.127 4.320 -0.004 0.000 0.219 521 A C 2.078 179.721 177.584 0.098 0.000 1.156 521 A CA 1.264 53.273 52.037 -0.048 0.000 0.671 521 A CB -0.365 18.506 19.000 -0.214 0.000 0.794 521 A HN 0.496 nan 8.150 nan 0.000 0.459 522 E N -0.733 119.480 120.200 0.022 0.000 2.338 522 E HA -0.019 4.329 4.350 -0.004 0.000 0.197 522 E C 1.718 178.301 176.600 -0.028 0.000 1.007 522 E CA 0.845 57.273 56.400 0.047 0.000 0.849 522 E CB -0.097 29.665 29.700 0.103 0.000 0.774 522 E HN 0.666 nan 8.360 nan 0.000 0.506 523 A N 0.678 123.452 122.820 -0.077 0.000 2.226 523 A HA 0.479 4.797 4.320 -0.004 0.000 0.207 523 A C 1.071 178.416 177.584 -0.399 0.000 1.293 523 A CA 0.152 52.088 52.037 -0.169 0.000 0.968 523 A CB 0.403 19.422 19.000 0.032 0.000 1.044 523 A HN 0.175 nan 8.150 nan 0.000 0.493 524 A N -0.241 122.421 122.820 -0.262 0.000 2.466 524 A HA 0.415 4.733 4.320 -0.004 0.000 0.238 524 A C 0.464 177.766 177.584 -0.470 0.000 1.074 524 A CA 0.476 52.352 52.037 -0.267 0.000 0.774 524 A CB -0.157 18.851 19.000 0.014 0.000 1.015 524 A HN 0.582 nan 8.150 nan 0.000 0.498 525 H N -0.289 118.618 119.070 -0.272 0.000 2.729 525 H HA 0.402 4.956 4.556 -0.004 0.000 0.263 525 H C -0.419 174.822 175.328 -0.145 0.000 0.961 525 H CA 0.215 56.043 56.048 -0.366 0.000 1.217 525 H CB 0.622 29.952 29.762 -0.720 0.000 1.447 525 H HN 0.392 nan 8.280 nan 0.000 0.496 526 L N 1.006 122.239 121.223 0.016 0.000 2.455 526 L HA 0.484 4.822 4.340 -0.004 0.000 0.264 526 L C -1.843 175.071 176.870 0.073 0.000 0.968 526 L CA -0.648 54.274 54.840 0.137 0.000 0.827 526 L CB 1.809 43.968 42.059 0.166 0.000 1.317 526 L HN 0.000 nan 8.230 nan 0.000 0.407 527 M N 6.030 125.648 119.600 0.030 0.000 2.327 527 M HA 0.540 5.018 4.480 -0.004 0.000 0.298 527 M C -1.453 174.711 176.300 -0.226 0.000 1.065 527 M CA -0.497 54.733 55.300 -0.117 0.000 0.916 527 M CB 2.222 34.711 32.600 -0.184 0.000 1.630 527 M HN 0.402 nan 8.290 nan 0.000 0.442 528 L N 4.670 125.726 121.223 -0.277 0.000 2.346 528 L HA 0.627 4.964 4.340 -0.004 0.000 0.276 528 L C -2.258 174.491 176.870 -0.202 0.000 1.006 528 L CA -1.915 52.708 54.840 -0.361 0.000 0.817 528 L CB 1.999 43.821 42.059 -0.396 0.000 1.272 528 L HN 0.354 nan 8.230 nan 0.000 0.421 529 P HA 0.267 nan 4.420 nan 0.000 0.287 529 P C -0.960 176.384 177.300 0.073 0.000 1.294 529 P CA -0.145 62.933 63.100 -0.036 0.000 0.776 529 P CB 1.798 33.475 31.700 -0.038 0.000 0.889 530 A N 3.715 126.536 122.820 0.001 0.000 2.261 530 A HA 0.831 5.149 4.320 -0.004 0.000 0.323 530 A C -0.407 177.159 177.584 -0.030 0.000 1.107 530 A CA -0.658 51.404 52.037 0.043 0.000 0.883 530 A CB 0.978 20.025 19.000 0.079 0.000 1.251 530 A HN 0.572 nan 8.150 nan 0.000 0.502 531 A N -0.078 122.743 122.820 0.000 0.000 2.374 531 A HA 0.713 5.031 4.320 -0.004 0.000 0.317 531 A C -0.275 177.329 177.584 0.034 0.000 1.094 531 A CA -0.476 51.542 52.037 -0.032 0.000 0.765 531 A CB 0.441 19.435 19.000 -0.010 0.000 1.268 531 A HN 1.199 nan 8.150 nan 0.000 0.438 532 H N -0.135 118.908 119.070 -0.045 0.000 2.630 532 H HA 0.676 5.230 4.556 -0.003 0.000 0.343 532 H C -2.764 172.465 175.328 -0.165 0.000 1.232 532 H CA -2.676 53.309 56.048 -0.104 0.000 1.294 532 H CB 0.989 30.743 29.762 -0.013 0.000 1.746 532 H HN 0.311 nan 8.280 nan 0.000 0.593 533 P HA -0.016 nan 4.420 nan 0.000 0.262 533 P C 0.866 178.135 177.300 -0.053 0.000 1.182 533 P CA 2.078 65.018 63.100 -0.266 0.000 0.761 533 P CB 0.698 32.125 31.700 -0.456 0.000 0.795 534 G N 2.888 111.680 108.800 -0.014 0.000 2.313 534 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.215 534 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.215 534 G C 0.919 175.580 174.900 -0.398 0.000 1.023 534 G CA -0.059 44.990 45.100 -0.085 0.000 0.626 534 G HN 0.531 nan 8.290 nan 0.000 0.503 535 E N 0.341 120.449 120.200 -0.152 0.000 2.447 535 E HA 0.382 4.730 4.350 -0.004 0.000 0.195 535 E C 1.188 177.727 176.600 -0.102 0.000 1.028 535 E CA 0.941 57.252 56.400 -0.148 0.000 0.876 535 E CB 0.108 29.783 29.700 -0.041 0.000 0.885 535 E HN 0.780 nan 8.360 nan 0.000 0.500 536 M N -1.387 118.169 119.600 -0.074 0.000 2.644 536 M HA 0.450 4.928 4.480 -0.004 0.000 0.273 536 M C -1.353 174.908 176.300 -0.064 0.000 1.253 536 M CA -1.121 54.151 55.300 -0.047 0.000 0.852 536 M CB 1.600 34.190 32.600 -0.018 0.000 1.708 536 M HN -0.371 nan 8.290 nan 0.000 0.471 537 N N 1.212 119.880 118.700 -0.053 0.000 2.513 537 N HA 0.770 5.508 4.740 -0.004 0.000 0.274 537 N C -1.431 173.989 175.510 -0.150 0.000 1.189 537 N CA -0.200 52.767 53.050 -0.138 0.000 0.975 537 N CB 1.841 40.248 38.487 -0.134 0.000 1.157 537 N HN 0.732 nan 8.380 nan 0.000 0.465 538 L N -0.018 121.050 121.223 -0.258 0.000 2.545 538 L HA 0.396 4.734 4.340 -0.004 0.000 0.258 538 L C -0.908 175.804 176.870 -0.262 0.000 0.942 538 L CA -0.468 54.255 54.840 -0.196 0.000 0.855 538 L CB 2.087 44.051 42.059 -0.159 0.000 1.374 538 L HN 0.667 nan 8.230 nan 0.000 0.411 539 T N 0.027 114.473 114.554 -0.181 0.000 2.885 539 T HA 0.921 5.269 4.350 -0.004 0.000 0.285 539 T C -0.456 174.262 174.700 0.031 0.000 1.019 539 T CA -0.692 61.331 62.100 -0.129 0.000 1.010 539 T CB 1.878 70.609 68.868 -0.229 0.000 1.022 539 T HN 0.611 nan 8.240 nan 0.000 0.466 540 S N 0.726 116.459 115.700 0.055 0.000 2.611 540 S HA 0.608 5.076 4.470 -0.004 0.000 0.270 540 S C -1.178 173.487 174.600 0.109 0.000 1.131 540 S CA -1.050 57.118 58.200 -0.054 0.000 0.826 540 S CB 1.422 64.557 63.200 -0.108 0.000 1.095 540 S HN 1.121 nan 8.310 nan 0.000 0.461 541 M N 1.493 121.158 119.600 0.108 0.000 2.716 541 M HA 0.748 5.226 4.480 -0.004 0.000 0.307 541 M C -0.473 175.866 176.300 0.065 0.000 1.223 541 M CA -0.775 54.604 55.300 0.132 0.000 0.871 541 M CB 1.519 34.262 32.600 0.240 0.000 1.739 541 M HN 0.680 nan 8.290 nan 0.000 0.475 542 N N 0.582 119.291 118.700 0.015 0.000 2.717 542 N HA 0.422 5.160 4.740 -0.004 0.000 0.314 542 N C 0.770 176.264 175.510 -0.027 0.000 1.324 542 N CA -0.150 52.904 53.050 0.005 0.000 0.902 542 N CB -0.345 38.124 38.487 -0.030 0.000 1.126 542 N HN 0.920 nan 8.380 nan 0.000 0.579 543 G N -1.648 107.154 108.800 0.004 0.000 2.708 543 G HA2 -0.107 3.851 3.960 -0.004 0.000 0.210 543 G HA3 -0.107 3.851 3.960 -0.004 0.000 0.210 543 G C 0.264 175.089 174.900 -0.125 0.000 1.141 543 G CA 0.579 45.718 45.100 0.064 0.000 0.788 543 G HN 0.803 nan 8.290 nan 0.000 0.531 544 E N -0.856 119.066 120.200 -0.462 0.000 2.887 544 E HA 0.333 4.681 4.350 -0.004 0.000 0.206 544 E C 0.625 177.083 176.600 -0.236 0.000 0.983 544 E CA -0.857 55.287 56.400 -0.426 0.000 1.141 544 E CB 0.111 29.331 29.700 -0.799 0.000 1.061 544 E HN 0.222 nan 8.360 nan 0.000 0.468 545 R N 0.634 121.060 120.500 -0.123 0.000 3.770 545 R HA -0.194 4.144 4.340 -0.004 0.000 0.305 545 R C -0.082 176.211 176.300 -0.012 0.000 1.184 545 R CA 0.699 56.790 56.100 -0.014 0.000 0.823 545 R CB -1.992 28.313 30.300 0.007 0.000 1.285 545 R HN 0.251 nan 8.270 nan 0.000 0.499 546 R N 1.774 122.228 120.500 -0.076 0.000 2.220 546 R HA 0.309 4.647 4.340 -0.004 0.000 0.340 546 R C 0.016 176.323 176.300 0.012 0.000 1.076 546 R CA -0.249 55.817 56.100 -0.056 0.000 0.920 546 R CB 0.469 30.693 30.300 -0.126 0.000 1.062 546 R HN 0.241 nan 8.270 nan 0.000 0.469 547 I N 4.256 124.861 120.570 0.057 0.000 2.395 547 I HA 0.291 4.459 4.170 -0.004 0.000 0.289 547 I C -0.626 175.498 176.117 0.012 0.000 1.023 547 I CA -0.345 61.010 61.300 0.093 0.000 1.350 547 I CB 0.438 38.517 38.000 0.132 0.000 1.409 547 I HN 0.625 nan 8.210 nan 0.000 0.507 548 R N 5.307 125.796 120.500 -0.018 0.000 2.808 548 R HA 0.568 4.906 4.340 -0.004 0.000 0.272 548 R C -1.666 174.547 176.300 -0.146 0.000 0.995 548 R CA -0.706 55.350 56.100 -0.073 0.000 0.917 548 R CB 1.689 31.953 30.300 -0.060 0.000 1.217 548 R HN 0.567 nan 8.270 nan 0.000 0.471 549 L N 0.395 121.494 121.223 -0.207 0.000 2.295 549 L HA 0.590 4.928 4.340 -0.004 0.000 0.285 549 L C -0.869 175.858 176.870 -0.239 0.000 1.035 549 L CA 0.325 54.965 54.840 -0.334 0.000 0.806 549 L CB 1.843 43.629 42.059 -0.455 0.000 1.214 549 L HN 0.521 nan 8.230 nan 0.000 0.426 550 S N 3.912 119.471 115.700 -0.235 0.000 2.438 550 S HA 0.419 4.887 4.470 -0.004 0.000 0.293 550 S C -0.550 173.956 174.600 -0.157 0.000 1.141 550 S CA -0.605 57.509 58.200 -0.144 0.000 1.080 550 S CB 0.581 63.709 63.200 -0.119 0.000 0.978 550 S HN 0.648 nan 8.310 nan 0.000 0.479 551 E N 2.074 122.225 120.200 -0.082 0.000 2.266 551 E HA 0.178 4.526 4.350 -0.004 0.000 0.277 551 E C -0.170 176.456 176.600 0.044 0.000 1.018 551 E CA -0.619 55.746 56.400 -0.058 0.000 0.840 551 E CB 1.045 30.726 29.700 -0.031 0.000 1.082 551 E HN 0.406 nan 8.360 nan 0.000 0.395 552 K N 2.433 122.828 120.400 -0.009 0.000 2.382 552 K HA 0.025 4.342 4.320 -0.004 0.000 0.275 552 K C -0.187 176.445 176.600 0.053 0.000 1.009 552 K CA 0.230 56.499 56.287 -0.029 0.000 0.970 552 K CB 0.289 32.752 32.500 -0.062 0.000 0.934 552 K HN 0.602 nan 8.250 nan 0.000 0.479 553 F N 2.106 122.027 119.950 -0.049 0.000 2.974 553 F HA 0.260 4.784 4.527 -0.004 0.000 0.357 553 F C -0.417 175.332 175.800 -0.086 0.000 1.114 553 F CA -0.871 57.089 58.000 -0.067 0.000 1.099 553 F CB 0.137 39.104 39.000 -0.056 0.000 1.205 553 F HN 0.383 nan 8.300 nan 0.000 0.535 554 M N -0.535 118.662 119.600 -0.672 0.000 2.721 554 M HA 0.577 5.055 4.480 -0.004 0.000 0.271 554 M C -1.892 174.191 176.300 -0.361 0.000 1.259 554 M CA -0.858 54.161 55.300 -0.468 0.000 0.835 554 M CB 1.960 34.236 32.600 -0.539 0.000 1.689 554 M HN -0.262 nan 8.290 nan 0.000 0.470 555 D N 1.964 122.179 120.400 -0.308 0.000 2.264 555 D HA 0.564 5.202 4.640 -0.004 0.000 0.249 555 D C -2.470 173.666 176.300 -0.274 0.000 1.070 555 D CA -0.880 52.884 54.000 -0.394 0.000 0.912 555 D CB 1.098 41.409 40.800 -0.816 0.000 1.193 555 D HN 0.339 nan 8.370 nan 0.000 0.427 556 P HA 0.223 nan 4.420 nan 0.000 0.276 556 P C -2.523 174.709 177.300 -0.114 0.000 1.252 556 P CA -1.307 61.715 63.100 -0.129 0.000 0.802 556 P CB -0.194 31.462 31.700 -0.073 0.000 1.035 557 P HA 0.022 nan 4.420 nan 0.000 0.271 557 P C 0.838 178.011 177.300 -0.211 0.000 1.216 557 P CA 0.743 63.464 63.100 -0.632 0.000 0.776 557 P CB 0.185 31.027 31.700 -1.430 0.000 0.881 558 G N 3.720 112.469 108.800 -0.085 0.000 2.672 558 G HA2 -0.337 3.621 3.960 -0.004 0.000 0.324 558 G HA3 -0.337 3.621 3.960 -0.004 0.000 0.324 558 G C 0.693 175.583 174.900 -0.016 0.000 1.286 558 G CA 1.300 46.364 45.100 -0.060 0.000 1.004 558 G HN 0.778 nan 8.290 nan 0.000 0.548 559 T N -1.252 113.334 114.554 0.054 0.000 3.243 559 T HA 0.705 5.053 4.350 -0.004 0.000 0.264 559 T C 0.821 175.652 174.700 0.218 0.000 1.000 559 T CA 1.103 63.290 62.100 0.144 0.000 0.901 559 T CB 0.133 69.198 68.868 0.329 0.000 1.083 559 T HN 1.879 nan 8.240 nan 0.000 0.559 560 A N 1.829 124.716 122.820 0.111 0.000 2.483 560 A HA 0.643 4.961 4.320 -0.004 0.000 0.238 560 A C 0.039 177.664 177.584 0.068 0.000 1.070 560 A CA -0.308 51.786 52.037 0.095 0.000 0.770 560 A CB 0.119 19.087 19.000 -0.055 0.000 1.008 560 A HN 0.750 nan 8.150 nan 0.000 0.497 561 M N 1.551 121.203 119.600 0.087 0.000 2.531 561 M HA 0.605 5.083 4.480 -0.004 0.000 0.286 561 M C -0.044 176.303 176.300 0.078 0.000 1.232 561 M CA -0.573 54.746 55.300 0.031 0.000 0.877 561 M CB 1.987 34.539 32.600 -0.079 0.000 1.726 561 M HN 1.001 nan 8.290 nan 0.000 0.463 562 A N 2.247 125.110 122.820 0.072 0.000 2.561 562 A HA 0.060 4.378 4.320 -0.004 0.000 0.234 562 A C 0.541 178.244 177.584 0.198 0.000 1.055 562 A CA 0.257 52.359 52.037 0.108 0.000 0.756 562 A CB -0.087 18.972 19.000 0.099 0.000 0.986 562 A HN 0.991 nan 8.150 nan 0.000 0.505 563 D N 1.342 121.888 120.400 0.243 0.000 2.123 563 D HA -0.198 4.439 4.640 -0.004 0.000 0.196 563 D C 2.113 178.681 176.300 0.447 0.000 0.992 563 D CA 2.144 56.409 54.000 0.442 0.000 0.833 563 D CB -0.407 40.671 40.800 0.464 0.000 0.954 563 D HN 0.850 nan 8.370 nan 0.000 0.455 564 C N 0.423 119.921 119.300 0.330 0.000 2.422 564 C HA -0.020 4.437 4.460 -0.004 0.000 0.279 564 C C 2.797 178.095 174.990 0.513 0.000 1.305 564 C CA -0.046 59.218 59.018 0.410 0.000 1.757 564 C CB -1.545 26.400 27.740 0.342 0.000 1.962 564 C HN 0.233 nan 8.230 nan 0.000 0.499 565 L N 0.397 121.845 121.223 0.374 0.000 2.240 565 L HA 0.082 4.420 4.340 -0.004 0.000 0.211 565 L C 2.788 179.778 176.870 0.200 0.000 1.106 565 L CA 1.023 56.042 54.840 0.299 0.000 0.793 565 L CB -0.481 41.685 42.059 0.180 0.000 0.927 565 L HN 0.291 nan 8.230 nan 0.000 0.446 566 I N 0.356 121.076 120.570 0.249 0.000 2.252 566 I HA -0.244 3.924 4.170 -0.004 0.000 0.245 566 I C 2.843 179.141 176.117 0.303 0.000 1.102 566 I CA 1.100 62.544 61.300 0.239 0.000 1.385 566 I CB -0.419 37.775 38.000 0.323 0.000 1.064 566 I HN 0.184 nan 8.210 nan 0.000 0.414 567 A N 0.910 124.013 122.820 0.471 0.000 1.902 567 A HA -0.173 4.145 4.320 -0.004 0.000 0.217 567 A C 2.554 180.138 177.584 -0.001 0.000 1.181 567 A CA 1.900 54.154 52.037 0.362 0.000 0.623 567 A CB -0.789 18.396 19.000 0.308 0.000 0.818 567 A HN 0.431 nan 8.150 nan 0.000 0.443 568 A N -0.524 122.333 122.820 0.062 0.000 1.933 568 A HA -0.154 4.164 4.320 -0.004 0.000 0.218 568 A C 2.236 179.736 177.584 -0.140 0.000 1.175 568 A CA 1.704 53.662 52.037 -0.131 0.000 0.628 568 A CB -0.470 18.555 19.000 0.042 0.000 0.814 568 A HN 0.543 nan 8.150 nan 0.000 0.444 569 R N -0.428 120.052 120.500 -0.033 0.000 2.081 569 R HA -0.069 4.269 4.340 -0.004 0.000 0.235 569 R C 1.891 178.175 176.300 -0.027 0.000 1.131 569 R CA 1.668 57.745 56.100 -0.037 0.000 0.960 569 R CB -0.365 29.906 30.300 -0.049 0.000 0.856 569 R HN 0.576 nan 8.270 nan 0.000 0.436 570 I N 0.249 120.821 120.570 0.002 0.000 2.252 570 I HA -0.218 3.950 4.170 -0.004 0.000 0.245 570 I C 2.507 178.574 176.117 -0.083 0.000 1.102 570 I CA 1.216 62.542 61.300 0.043 0.000 1.385 570 I CB -0.328 37.784 38.000 0.187 0.000 1.064 570 I HN 0.260 nan 8.210 nan 0.000 0.414 571 A N 0.897 123.562 122.820 -0.258 0.000 1.902 571 A HA -0.206 4.112 4.320 -0.004 0.000 0.217 571 A C 2.071 179.539 177.584 -0.194 0.000 1.181 571 A CA 1.858 53.696 52.037 -0.332 0.000 0.623 571 A CB -0.635 17.599 19.000 -1.276 0.000 0.818 571 A HN 0.412 nan 8.150 nan 0.000 0.443 572 N N 0.205 118.801 118.700 -0.175 0.000 2.270 572 N HA -0.041 4.697 4.740 -0.004 0.000 0.181 572 N C 1.848 177.305 175.510 -0.090 0.000 1.016 572 N CA 1.303 54.303 53.050 -0.083 0.000 0.870 572 N CB -0.431 38.022 38.487 -0.057 0.000 0.979 572 N HN 0.477 nan 8.380 nan 0.000 0.431 573 A N 1.040 123.799 122.820 -0.102 0.000 1.898 573 A HA -0.011 4.307 4.320 -0.004 0.000 0.216 573 A C 2.359 179.830 177.584 -0.188 0.000 1.181 573 A CA 0.795 52.771 52.037 -0.101 0.000 0.620 573 A CB -0.605 18.363 19.000 -0.052 0.000 0.819 573 A HN 0.173 nan 8.150 nan 0.000 0.442 574 L N -1.163 119.876 121.223 -0.307 0.000 2.093 574 L HA -0.121 4.217 4.340 -0.004 0.000 0.208 574 L C 2.725 179.346 176.870 -0.414 0.000 1.085 574 L CA 1.552 56.071 54.840 -0.535 0.000 0.755 574 L CB -0.374 41.057 42.059 -1.047 0.000 0.904 574 L HN 0.451 nan 8.230 nan 0.000 0.435 575 R N 0.442 120.780 120.500 -0.269 0.000 2.080 575 R HA -0.253 4.085 4.340 -0.004 0.000 0.236 575 R C 1.969 178.277 176.300 0.013 0.000 1.137 575 R CA 2.365 58.472 56.100 0.013 0.000 0.943 575 R CB -0.323 30.036 30.300 0.098 0.000 0.846 575 R HN 0.304 nan 8.270 nan 0.000 0.431 576 D N -0.540 119.836 120.400 -0.041 0.000 2.149 576 D HA -0.178 4.460 4.640 -0.004 0.000 0.198 576 D C 1.968 178.228 176.300 -0.066 0.000 0.990 576 D CA 1.613 55.592 54.000 -0.035 0.000 0.839 576 D CB 0.094 40.869 40.800 -0.042 0.000 0.948 576 D HN 0.280 nan 8.370 nan 0.000 0.460 577 M N -0.972 118.539 119.600 -0.148 0.000 2.132 577 M HA -0.145 4.332 4.480 -0.004 0.000 0.263 577 M C 1.638 177.803 176.300 -0.224 0.000 1.065 577 M CA 1.084 56.247 55.300 -0.228 0.000 1.122 577 M CB -0.210 32.161 32.600 -0.381 0.000 1.365 577 M HN 0.185 nan 8.290 nan 0.000 0.411 578 Y N 0.563 120.798 120.300 -0.109 0.000 2.220 578 Y HA -0.186 4.362 4.550 -0.004 0.000 0.291 578 Y C 2.547 178.430 175.900 -0.028 0.000 1.129 578 Y CA 1.349 59.413 58.100 -0.059 0.000 1.161 578 Y CB -0.571 37.872 38.460 -0.028 0.000 0.997 578 Y HN 0.269 nan 8.280 nan 0.000 0.522 579 Q N 0.200 120.076 119.800 0.128 0.000 2.061 579 Q HA -0.224 4.114 4.340 -0.004 0.000 0.204 579 Q C 2.021 178.043 176.000 0.037 0.000 0.984 579 Q CA 1.673 57.521 55.803 0.075 0.000 0.846 579 Q CB -0.191 28.579 28.738 0.052 0.000 0.902 579 Q HN 0.439 nan 8.270 nan 0.000 0.421 580 K N 0.293 120.696 120.400 0.005 0.000 2.283 580 K HA -0.132 4.186 4.320 -0.004 0.000 0.202 580 K C 0.998 177.589 176.600 -0.015 0.000 1.048 580 K CA 0.964 57.243 56.287 -0.013 0.000 0.948 580 K CB 0.090 32.569 32.500 -0.036 0.000 0.742 580 K HN 0.080 nan 8.250 nan 0.000 0.458 581 D N -0.234 120.161 120.400 -0.009 0.000 2.325 581 D HA 0.045 4.683 4.640 -0.004 0.000 0.225 581 D C 0.500 176.819 176.300 0.032 0.000 1.096 581 D CA 0.281 54.278 54.000 -0.005 0.000 0.844 581 D CB 0.188 40.970 40.800 -0.030 0.000 0.925 581 D HN 0.279 nan 8.370 nan 0.000 0.513 582 G N 1.523 110.346 108.800 0.039 0.000 2.249 582 G HA2 -0.330 3.628 3.960 -0.004 0.000 0.273 582 G HA3 -0.330 3.628 3.960 -0.004 0.000 0.273 582 G C 0.279 175.215 174.900 0.060 0.000 1.036 582 G CA 0.163 45.288 45.100 0.041 0.000 0.824 582 G HN 0.398 nan 8.290 nan 0.000 0.504 583 K N 0.097 120.559 120.400 0.103 0.000 2.459 583 K HA 0.593 4.911 4.320 -0.004 0.000 0.218 583 K C 1.641 178.283 176.600 0.070 0.000 1.067 583 K CA 0.075 56.425 56.287 0.106 0.000 1.045 583 K CB 0.737 33.367 32.500 0.217 0.000 1.623 583 K HN 0.296 nan 8.250 nan 0.000 0.509 584 A N 2.105 124.950 122.820 0.042 0.000 1.908 584 A HA -0.208 4.110 4.320 -0.004 0.000 0.218 584 A C 1.840 179.427 177.584 0.005 0.000 1.181 584 A CA 1.475 53.530 52.037 0.031 0.000 0.627 584 A CB -0.091 18.923 19.000 0.023 0.000 0.818 584 A HN 0.641 nan 8.150 nan 0.000 0.445 585 E N -1.079 119.109 120.200 -0.020 0.000 2.072 585 E HA -0.150 4.197 4.350 -0.004 0.000 0.191 585 E C 2.060 178.604 176.600 -0.092 0.000 0.985 585 E CA 1.172 57.544 56.400 -0.045 0.000 0.801 585 E CB -0.209 29.464 29.700 -0.047 0.000 0.750 585 E HN 0.461 nan 8.360 nan 0.000 0.452 586 M N 0.252 119.751 119.600 -0.168 0.000 2.132 586 M HA -0.070 4.408 4.480 -0.004 0.000 0.263 586 M C 2.433 178.623 176.300 -0.184 0.000 1.065 586 M CA 1.108 56.182 55.300 -0.378 0.000 1.122 586 M CB -1.005 31.024 32.600 -0.952 0.000 1.365 586 M HN 0.088 nan 8.290 nan 0.000 0.411 587 A N 0.111 122.919 122.820 -0.020 0.000 1.972 587 A HA -0.006 4.312 4.320 -0.004 0.000 0.219 587 A C 2.387 180.078 177.584 0.178 0.000 1.169 587 A CA 1.954 54.103 52.037 0.186 0.000 0.635 587 A CB -0.839 18.255 19.000 0.157 0.000 0.810 587 A HN 0.483 nan 8.150 nan 0.000 0.446 588 A N -0.616 122.243 122.820 0.066 0.000 1.972 588 A HA -0.202 4.116 4.320 -0.004 0.000 0.219 588 A C 2.021 179.603 177.584 -0.004 0.000 1.169 588 A CA 1.513 53.572 52.037 0.036 0.000 0.635 588 A CB -0.525 18.476 19.000 0.000 0.000 0.810 588 A HN 0.671 nan 8.150 nan 0.000 0.446 589 Q N -1.728 118.020 119.800 -0.086 0.000 2.364 589 Q HA -0.090 4.248 4.340 -0.004 0.000 0.209 589 Q C 0.446 176.183 176.000 -0.438 0.000 0.977 589 Q CA 1.012 56.632 55.803 -0.304 0.000 0.885 589 Q CB -0.167 28.266 28.738 -0.508 0.000 0.941 589 Q HN 0.793 nan 8.270 nan 0.000 0.464 590 F N 0.672 120.642 119.950 0.033 0.000 2.641 590 F HA 0.189 4.714 4.527 -0.004 0.000 0.302 590 F C 0.497 176.388 175.800 0.152 0.000 1.098 590 F CA -0.280 57.767 58.000 0.078 0.000 1.318 590 F CB 0.368 39.378 39.000 0.017 0.000 1.035 590 F HN -0.097 nan 8.300 nan 0.000 0.551 591 E N -0.177 120.146 120.200 0.206 0.000 2.369 591 E HA 0.411 4.759 4.350 -0.004 0.000 0.255 591 E C 1.178 177.853 176.600 0.125 0.000 1.172 591 E CA 0.434 56.927 56.400 0.154 0.000 0.932 591 E CB 0.481 30.227 29.700 0.076 0.000 1.040 591 E HN 0.274 nan 8.360 nan 0.000 0.454 592 G N 0.807 109.626 108.800 0.032 0.000 2.131 592 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.223 592 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.223 592 G C 0.030 174.628 174.900 -0.503 0.000 0.990 592 G CA -0.257 44.761 45.100 -0.136 0.000 0.671 592 G HN 0.395 nan 8.290 nan 0.000 0.521 593 F N 0.890 120.569 119.950 -0.451 0.000 2.881 593 F HA 0.359 4.884 4.527 -0.003 0.000 0.343 593 F C 0.633 175.988 175.800 -0.742 0.000 1.233 593 F CA -0.935 56.415 58.000 -1.083 0.000 1.262 593 F CB 0.944 39.452 39.000 -0.820 0.000 0.980 593 F HN 0.073 nan 8.300 nan 0.000 0.506 594 D N 1.114 121.381 120.400 -0.221 0.000 2.619 594 D HA 0.019 4.657 4.640 -0.004 0.000 0.224 594 D C -0.915 175.547 176.300 0.270 0.000 1.133 594 D CA 0.119 54.142 54.000 0.038 0.000 1.017 594 D CB -0.034 40.820 40.800 0.089 0.000 1.077 594 D HN 0.007 nan 8.370 nan 0.000 0.503 595 W N 2.224 123.594 121.300 0.117 0.000 2.632 595 W HA 0.377 5.035 4.660 -0.003 0.000 0.328 595 W C 0.856 177.415 176.519 0.067 0.000 1.044 595 W CA -0.987 56.414 57.345 0.093 0.000 1.225 595 W CB 1.354 30.891 29.460 0.129 0.000 1.396 595 W HN -0.006 nan 8.180 nan 0.000 0.499 596 K N 0.659 121.219 120.400 0.268 0.000 2.370 596 K HA 0.139 4.457 4.320 -0.004 0.000 0.194 596 K C 0.481 177.152 176.600 0.118 0.000 1.070 596 K CA 0.474 56.851 56.287 0.150 0.000 0.998 596 K CB 0.902 33.461 32.500 0.099 0.000 0.911 596 K HN 0.377 nan 8.250 nan 0.000 0.533 597 T N 0.526 115.148 114.554 0.115 0.000 2.883 597 T HA 0.104 4.452 4.350 -0.004 0.000 0.301 597 T C 0.448 175.179 174.700 0.051 0.000 1.158 597 T CA -0.530 61.613 62.100 0.072 0.000 1.007 597 T CB 1.602 70.492 68.868 0.037 0.000 1.186 597 T HN 0.103 nan 8.240 nan 0.000 0.499 598 E N 1.661 121.898 120.200 0.061 0.000 2.209 598 E HA -0.214 4.134 4.350 -0.004 0.000 0.196 598 E C 1.378 177.969 176.600 -0.016 0.000 0.993 598 E CA 1.362 57.794 56.400 0.052 0.000 0.819 598 E CB -0.200 29.559 29.700 0.098 0.000 0.745 598 E HN 0.859 nan 8.360 nan 0.000 0.477 599 E N 1.080 121.241 120.200 -0.065 0.000 2.204 599 E HA -0.188 4.160 4.350 -0.004 0.000 0.195 599 E C 1.213 177.643 176.600 -0.284 0.000 0.990 599 E CA 1.180 57.374 56.400 -0.344 0.000 0.821 599 E CB 0.083 29.449 29.700 -0.557 0.000 0.750 599 E HN 0.186 nan 8.360 nan 0.000 0.477 600 D N 0.107 120.353 120.400 -0.257 0.000 2.178 600 D HA -0.146 4.492 4.640 -0.004 0.000 0.201 600 D C 1.704 177.575 176.300 -0.715 0.000 0.980 600 D CA 1.232 55.005 54.000 -0.377 0.000 0.842 600 D CB -0.142 40.495 40.800 -0.272 0.000 0.948 600 D HN 0.302 nan 8.370 nan 0.000 0.472 601 A N 0.006 122.358 122.820 -0.781 0.000 1.970 601 A HA -0.068 4.250 4.320 -0.004 0.000 0.216 601 A C 2.052 179.460 177.584 -0.294 0.000 1.170 601 A CA 0.446 51.981 52.037 -0.836 0.000 0.645 601 A CB -0.832 17.838 19.000 -0.550 0.000 0.816 601 A HN 0.231 nan 8.150 nan 0.000 0.447 602 F N 1.192 120.957 119.950 -0.309 0.000 2.102 602 F HA -0.209 4.315 4.527 -0.004 0.000 0.298 602 F C 2.146 177.784 175.800 -0.270 0.000 1.105 602 F CA 1.849 59.717 58.000 -0.220 0.000 1.239 602 F CB -0.042 38.830 39.000 -0.213 0.000 0.991 602 F HN 0.200 nan 8.300 nan 0.000 0.474 603 N N 0.415 118.948 118.700 -0.277 0.000 2.166 603 N HA -0.205 4.532 4.740 -0.004 0.000 0.186 603 N C 1.335 176.633 175.510 -0.354 0.000 1.019 603 N CA 1.732 54.594 53.050 -0.314 0.000 0.856 603 N CB -0.588 37.768 38.487 -0.219 0.000 0.993 603 N HN 0.419 nan 8.380 nan 0.000 0.426 604 D N -0.726 119.446 120.400 -0.379 0.000 2.289 604 D HA 0.039 4.677 4.640 -0.004 0.000 0.207 604 D C 1.539 177.392 176.300 -0.744 0.000 0.966 604 D CA 0.839 54.656 54.000 -0.305 0.000 0.868 604 D CB 0.069 40.892 40.800 0.038 0.000 0.943 604 D HN 0.249 nan 8.370 nan 0.000 0.514 605 G N -0.861 107.229 108.800 -1.183 0.000 2.534 605 G HA2 -0.035 3.923 3.960 -0.004 0.000 0.220 605 G HA3 -0.035 3.923 3.960 -0.004 0.000 0.220 605 G C 1.132 175.476 174.900 -0.927 0.000 1.699 605 G CA -0.001 43.954 45.100 -1.908 0.000 0.769 605 G HN 0.254 nan 8.290 nan 0.000 0.632 606 F N 1.939 121.403 119.950 -0.810 0.000 2.087 606 F HA -0.134 4.391 4.527 -0.004 0.000 0.299 606 F C 2.774 178.151 175.800 -0.705 0.000 1.100 606 F CA 2.040 59.603 58.000 -0.728 0.000 1.226 606 F CB 0.153 38.569 39.000 -0.973 0.000 0.983 606 F HN -0.023 nan 8.300 nan 0.000 0.479 607 R N -0.404 119.778 120.500 -0.530 0.000 2.307 607 R HA 0.046 4.384 4.340 -0.004 0.000 0.199 607 R C 1.758 177.870 176.300 -0.313 0.000 1.000 607 R CA 0.340 56.207 56.100 -0.388 0.000 1.023 607 R CB -0.127 29.960 30.300 -0.354 0.000 0.908 607 R HN 0.332 nan 8.270 nan 0.000 0.473 608 R N 0.288 120.553 120.500 -0.392 0.000 2.334 608 R HA 0.224 4.562 4.340 -0.004 0.000 0.212 608 R C 0.179 176.306 176.300 -0.289 0.000 0.897 608 R CA -0.068 55.846 56.100 -0.310 0.000 1.056 608 R CB 0.736 30.848 30.300 -0.314 0.000 1.046 608 R HN 0.004 nan 8.270 nan 0.000 0.513 609 A N 0.700 123.309 122.820 -0.351 0.000 2.548 609 A HA 0.339 4.657 4.320 -0.004 0.000 0.247 609 A C 1.179 178.650 177.584 -0.189 0.000 1.067 609 A CA 1.048 52.920 52.037 -0.275 0.000 0.757 609 A CB -0.301 18.502 19.000 -0.328 0.000 0.996 609 A HN 0.530 nan 8.150 nan 0.000 0.504 610 G N 1.219 109.940 108.800 -0.131 0.000 2.184 610 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.264 610 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.264 610 G C 0.256 175.090 174.900 -0.109 0.000 0.975 610 G CA 0.605 45.647 45.100 -0.096 0.000 0.642 610 G HN 0.866 nan 8.290 nan 0.000 0.536 611 Q N 0.279 119.995 119.800 -0.140 0.000 2.317 611 Q HA 0.469 4.807 4.340 -0.004 0.000 0.229 611 Q C -2.254 173.676 176.000 -0.117 0.000 0.984 611 Q CA -1.934 53.772 55.803 -0.162 0.000 0.911 611 Q CB 0.045 28.661 28.738 -0.203 0.000 1.217 611 Q HN 0.207 nan 8.270 nan 0.000 0.501 612 P HA 0.101 nan 4.420 nan 0.000 0.267 612 P C 0.481 177.741 177.300 -0.067 0.000 1.209 612 P CA 0.944 63.996 63.100 -0.079 0.000 0.763 612 P CB 0.322 31.975 31.700 -0.078 0.000 0.816 613 G N 1.983 110.754 108.800 -0.049 0.000 2.199 613 G HA2 -0.201 3.757 3.960 -0.004 0.000 0.254 613 G HA3 -0.201 3.757 3.960 -0.004 0.000 0.254 613 G C 0.475 175.355 174.900 -0.034 0.000 0.982 613 G CA 0.019 45.097 45.100 -0.037 0.000 0.632 613 G HN 0.864 nan 8.290 nan 0.000 0.529 614 A N 1.260 124.051 122.820 -0.049 0.000 2.351 614 A HA 0.719 5.037 4.320 -0.004 0.000 0.257 614 A C -0.439 177.137 177.584 -0.014 0.000 1.087 614 A CA -0.154 51.857 52.037 -0.044 0.000 0.798 614 A CB 0.334 19.280 19.000 -0.089 0.000 1.033 614 A HN 0.395 nan 8.150 nan 0.000 0.488 615 P HA 0.434 nan 4.420 nan 0.000 0.289 615 P C -0.301 177.030 177.300 0.052 0.000 1.299 615 P CA -0.293 62.835 63.100 0.046 0.000 0.766 615 P CB 0.518 32.273 31.700 0.091 0.000 1.226 616 A N 0.423 123.283 122.820 0.068 0.000 2.522 616 A HA 0.374 4.692 4.320 -0.004 0.000 0.256 616 A C 0.260 177.923 177.584 0.131 0.000 1.086 616 A CA 0.154 52.237 52.037 0.077 0.000 0.763 616 A CB -1.103 17.941 19.000 0.073 0.000 1.024 616 A HN 0.422 nan 8.150 nan 0.000 0.502 617 I N 2.548 123.177 120.570 0.100 0.000 2.534 617 I HA 0.240 4.408 4.170 -0.004 0.000 0.288 617 I C -1.172 175.025 176.117 0.133 0.000 1.077 617 I CA -0.741 60.638 61.300 0.133 0.000 1.051 617 I CB 2.351 40.322 38.000 -0.049 0.000 1.234 617 I HN 0.504 nan 8.210 nan 0.000 0.425 618 D N 4.707 125.255 120.400 0.246 0.000 2.373 618 D HA 0.351 4.989 4.640 -0.004 0.000 0.227 618 D C -0.550 175.954 176.300 0.340 0.000 1.091 618 D CA 0.128 54.302 54.000 0.290 0.000 0.840 618 D CB 1.974 43.031 40.800 0.428 0.000 1.060 618 D HN 0.326 nan 8.370 nan 0.000 0.502 619 S N 1.760 117.587 115.700 0.212 0.000 2.547 619 S HA 0.135 4.603 4.470 -0.004 0.000 0.281 619 S C 0.670 175.381 174.600 0.185 0.000 1.118 619 S CA -0.569 57.752 58.200 0.202 0.000 0.947 619 S CB 1.519 64.656 63.200 -0.104 0.000 1.053 619 S HN 0.255 nan 8.310 nan 0.000 0.482 620 Q N 2.615 122.645 119.800 0.383 0.000 2.437 620 Q HA 0.033 4.371 4.340 -0.004 0.000 0.210 620 Q C 1.714 177.809 176.000 0.159 0.000 0.972 620 Q CA 1.097 57.098 55.803 0.330 0.000 0.903 620 Q CB -0.091 28.965 28.738 0.530 0.000 0.967 620 Q HN 0.864 nan 8.270 nan 0.000 0.486 621 G N -0.001 108.722 108.800 -0.128 0.000 2.777 621 G HA2 0.286 4.244 3.960 -0.004 0.000 0.211 621 G HA3 0.286 4.244 3.960 -0.004 0.000 0.211 621 G C 0.717 175.362 174.900 -0.425 0.000 1.149 621 G CA 0.224 45.028 45.100 -0.494 0.000 0.785 621 G HN 0.490 nan 8.290 nan 0.000 0.536 622 G N 0.044 108.667 108.800 -0.294 0.000 2.692 622 G HA2 -0.161 3.797 3.960 -0.004 0.000 0.248 622 G HA3 -0.161 3.797 3.960 -0.004 0.000 0.248 622 G C 1.304 176.053 174.900 -0.251 0.000 1.340 622 G CA 0.853 45.834 45.100 -0.199 0.000 0.896 622 G HN 1.255 nan 8.290 nan 0.000 0.570 623 S N -1.679 113.935 115.700 -0.144 0.000 2.515 623 S HA 0.062 4.530 4.470 -0.004 0.000 0.231 623 S C 1.936 176.520 174.600 -0.026 0.000 0.987 623 S CA 1.960 60.104 58.200 -0.093 0.000 0.936 623 S CB -0.305 62.867 63.200 -0.047 0.000 0.766 623 S HN 2.072 nan 8.310 nan 0.000 0.528 624 T N -2.672 111.809 114.554 -0.123 0.000 3.163 624 T HA 0.409 4.757 4.350 -0.004 0.000 0.252 624 T C 1.661 176.121 174.700 -0.401 0.000 1.056 624 T CA 0.239 62.210 62.100 -0.215 0.000 0.947 624 T CB 0.102 68.874 68.868 -0.159 0.000 1.016 624 T HN 0.340 nan 8.240 nan 0.000 0.554 625 G N 2.196 110.732 108.800 -0.440 0.000 2.462 625 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.220 625 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.220 625 G C 1.253 175.958 174.900 -0.325 0.000 1.121 625 G CA 1.019 45.733 45.100 -0.644 0.000 0.758 625 G HN 0.888 nan 8.290 nan 0.000 0.559 626 H N -0.293 118.629 119.070 -0.247 0.000 2.518 626 H HA 0.148 4.702 4.556 -0.004 0.000 0.289 626 H C 2.076 177.341 175.328 -0.105 0.000 1.051 626 H CA 0.732 56.674 56.048 -0.176 0.000 1.280 626 H CB -0.364 29.294 29.762 -0.173 0.000 1.380 626 H HN 0.332 nan 8.280 nan 0.000 0.566 627 L N 0.673 121.521 121.223 -0.624 0.000 2.376 627 L HA 0.050 4.388 4.340 -0.004 0.000 0.219 627 L C 0.194 176.960 176.870 -0.174 0.000 1.133 627 L CA -0.092 54.544 54.840 -0.340 0.000 0.816 627 L CB 0.120 42.031 42.059 -0.248 0.000 0.933 627 L HN 0.160 nan 8.230 nan 0.000 0.449 628 V N 0.096 119.990 119.914 -0.034 0.000 2.546 628 V HA 0.303 4.421 4.120 -0.004 0.000 0.284 628 V C 0.375 176.562 176.094 0.154 0.000 1.050 628 V CA -0.284 62.075 62.300 0.098 0.000 0.981 628 V CB 1.262 33.275 31.823 0.317 0.000 0.990 628 V HN 0.342 nan 8.190 nan 0.000 0.474 629 T N 0.618 115.220 114.554 0.081 0.000 2.883 629 T HA 0.455 4.803 4.350 -0.004 0.000 0.296 629 T C 0.609 175.387 174.700 0.129 0.000 1.117 629 T CA -0.586 61.587 62.100 0.121 0.000 1.006 629 T CB 1.120 69.950 68.868 -0.063 0.000 1.191 629 T HN 0.392 nan 8.240 nan 0.000 0.508 630 Y N 0.233 120.455 120.300 -0.129 0.000 2.207 630 Y HA -0.172 4.375 4.550 -0.004 0.000 0.287 630 Y C 2.187 178.010 175.900 -0.128 0.000 1.156 630 Y CA 0.782 58.761 58.100 -0.202 0.000 1.182 630 Y CB -0.020 38.323 38.460 -0.195 0.000 0.979 630 Y HN 0.644 nan 8.280 nan 0.000 0.521 631 D N -0.168 120.275 120.400 0.071 0.000 2.144 631 D HA -0.118 4.520 4.640 -0.004 0.000 0.200 631 D C 2.091 178.397 176.300 0.009 0.000 0.978 631 D CA 1.100 55.113 54.000 0.023 0.000 0.833 631 D CB -0.213 40.588 40.800 0.001 0.000 0.961 631 D HN 0.291 nan 8.370 nan 0.000 0.470 632 R N -0.015 120.472 120.500 -0.021 0.000 2.075 632 R HA 0.025 4.363 4.340 -0.004 0.000 0.232 632 R C 2.494 178.812 176.300 0.030 0.000 1.126 632 R CA 0.552 56.657 56.100 0.008 0.000 0.963 632 R CB -0.252 29.985 30.300 -0.105 0.000 0.858 632 R HN 0.201 nan 8.270 nan 0.000 0.435 633 L N 0.098 121.315 121.223 -0.009 0.000 2.056 633 L HA -0.150 4.188 4.340 -0.004 0.000 0.207 633 L C 2.767 179.611 176.870 -0.044 0.000 1.078 633 L CA 1.240 56.056 54.840 -0.040 0.000 0.749 633 L CB -0.395 41.593 42.059 -0.118 0.000 0.901 633 L HN 0.189 nan 8.230 nan 0.000 0.433 634 R N 0.648 121.118 120.500 -0.051 0.000 2.091 634 R HA -0.201 4.137 4.340 -0.004 0.000 0.238 634 R C 2.277 178.574 176.300 -0.005 0.000 1.136 634 R CA 1.556 57.631 56.100 -0.041 0.000 0.959 634 R CB -0.022 30.256 30.300 -0.036 0.000 0.856 634 R HN 0.264 nan 8.270 nan 0.000 0.437 635 K N -0.439 119.972 120.400 0.019 0.000 2.147 635 K HA -0.041 4.277 4.320 -0.004 0.000 0.205 635 K C 1.947 178.570 176.600 0.038 0.000 1.049 635 K CA 1.453 57.763 56.287 0.040 0.000 0.936 635 K CB 0.063 32.608 32.500 0.075 0.000 0.722 635 K HN 0.097 nan 8.250 nan 0.000 0.446 636 S N 0.037 115.758 115.700 0.034 0.000 2.481 636 S HA 0.035 4.503 4.470 -0.004 0.000 0.231 636 S C 0.848 175.455 174.600 0.011 0.000 0.996 636 S CA 0.578 58.795 58.200 0.028 0.000 0.942 636 S CB -0.065 63.152 63.200 0.028 0.000 0.768 636 S HN 0.632 nan 8.310 nan 0.000 0.520 637 G N 2.046 110.849 108.800 0.004 0.000 2.698 637 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.233 637 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.233 637 G C 0.186 175.075 174.900 -0.018 0.000 1.352 637 G CA -0.025 45.077 45.100 0.004 0.000 0.879 637 G HN 0.302 nan 8.290 nan 0.000 0.567 638 N N 0.902 119.584 118.700 -0.028 0.000 2.520 638 N HA -0.058 4.680 4.740 -0.004 0.000 0.185 638 N C 1.823 177.310 175.510 -0.038 0.000 1.068 638 N CA 0.991 54.009 53.050 -0.053 0.000 0.911 638 N CB -0.247 38.178 38.487 -0.103 0.000 0.961 638 N HN 0.451 nan 8.380 nan 0.000 0.446 639 N N 0.608 119.294 118.700 -0.023 0.000 2.457 639 N HA -0.011 4.727 4.740 -0.004 0.000 0.180 639 N C 1.460 176.959 175.510 -0.019 0.000 1.050 639 N CA 0.679 53.718 53.050 -0.018 0.000 0.906 639 N CB -0.140 38.342 38.487 -0.008 0.000 0.968 639 N HN 0.220 nan 8.380 nan 0.000 0.445 640 G N 0.623 109.414 108.800 -0.016 0.000 2.632 640 G HA2 -0.310 3.647 3.960 -0.004 0.000 0.322 640 G HA3 -0.310 3.647 3.960 -0.004 0.000 0.322 640 G C -0.271 174.631 174.900 0.003 0.000 1.326 640 G CA 0.553 45.647 45.100 -0.011 0.000 0.986 640 G HN 0.456 nan 8.290 nan 0.000 0.541 641 V N -0.027 119.891 119.914 0.007 0.000 2.932 641 V HA 0.596 4.714 4.120 -0.004 0.000 0.307 641 V C -0.369 175.728 176.094 0.005 0.000 1.147 641 V CA -0.414 61.893 62.300 0.013 0.000 0.951 641 V CB 1.892 33.739 31.823 0.039 0.000 1.031 641 V HN 0.909 nan 8.190 nan 0.000 0.426 642 Q N 4.885 124.676 119.800 -0.015 0.000 2.288 642 Q HA 0.490 4.828 4.340 -0.004 0.000 0.258 642 Q C -0.655 175.342 176.000 -0.004 0.000 0.957 642 Q CA -0.196 55.590 55.803 -0.027 0.000 0.919 642 Q CB 1.489 30.191 28.738 -0.060 0.000 1.185 642 Q HN 0.619 nan 8.270 nan 0.000 0.408 643 L N 4.981 126.216 121.223 0.020 0.000 2.436 643 L HA 0.329 4.667 4.340 -0.004 0.000 0.265 643 L C -1.958 174.905 176.870 -0.012 0.000 1.168 643 L CA -2.007 52.850 54.840 0.029 0.000 0.815 643 L CB 0.153 42.264 42.059 0.085 0.000 1.109 643 L HN 0.393 nan 8.230 nan 0.000 0.462 644 P HA 0.107 nan 4.420 nan 0.000 0.278 644 P C -0.623 176.662 177.300 -0.025 0.000 1.238 644 P CA -0.357 62.725 63.100 -0.030 0.000 0.794 644 P CB 0.986 32.655 31.700 -0.052 0.000 0.955 645 V N 3.443 123.343 119.914 -0.023 0.000 2.572 645 V HA -0.031 4.087 4.120 -0.004 0.000 0.291 645 V C 1.766 177.845 176.094 -0.026 0.000 1.039 645 V CA 0.315 62.608 62.300 -0.011 0.000 1.055 645 V CB 0.991 32.811 31.823 -0.004 0.000 0.969 645 V HN 0.354 nan 8.190 nan 0.000 0.482 646 V N 3.449 123.355 119.914 -0.012 0.000 2.825 646 V HA 0.112 4.230 4.120 -0.004 0.000 0.246 646 V C 0.780 176.874 176.094 -0.000 0.000 1.068 646 V CA 1.357 63.648 62.300 -0.014 0.000 1.088 646 V CB 0.448 32.260 31.823 -0.018 0.000 0.733 646 V HN 1.010 nan 8.190 nan 0.000 0.468 647 S N -2.329 113.382 115.700 0.018 0.000 2.611 647 S HA 0.572 5.040 4.470 -0.004 0.000 0.268 647 S C -1.963 172.699 174.600 0.104 0.000 1.156 647 S CA -0.782 57.442 58.200 0.041 0.000 0.817 647 S CB 2.094 65.292 63.200 -0.003 0.000 1.122 647 S HN 0.306 nan 8.310 nan 0.000 0.466 648 W N 1.517 122.797 121.300 -0.033 0.000 3.425 648 W HA 0.621 5.280 4.660 -0.002 0.000 0.318 648 W C -2.310 174.201 176.519 -0.013 0.000 1.201 648 W CA -0.120 57.210 57.345 -0.024 0.000 1.212 648 W CB 1.415 30.857 29.460 -0.029 0.000 1.355 648 W HN 1.203 nan 8.180 nan 0.000 0.515 649 D N 2.136 121.600 120.400 -1.561 0.000 2.653 649 D HA 0.211 4.849 4.640 -0.004 0.000 0.258 649 D C 0.324 175.640 176.300 -1.639 0.000 1.252 649 D CA -0.580 52.426 54.000 -1.657 0.000 0.777 649 D CB 1.253 41.670 40.800 -0.637 0.000 1.339 649 D HN 0.267 nan 8.370 nan 0.000 0.422 650 E N 0.152 119.722 120.200 -1.049 0.000 2.153 650 E HA -0.175 4.173 4.350 -0.004 0.000 0.194 650 E C 1.828 178.264 176.600 -0.273 0.000 0.988 650 E CA 1.816 57.964 56.400 -0.421 0.000 0.811 650 E CB -0.211 29.418 29.700 -0.118 0.000 0.746 650 E HN 0.576 nan 8.360 nan 0.000 0.466 651 S N 0.536 116.069 115.700 -0.278 0.000 2.406 651 S HA -0.038 4.430 4.470 -0.004 0.000 0.228 651 S C 1.730 176.231 174.600 -0.165 0.000 1.020 651 S CA 0.723 58.819 58.200 -0.173 0.000 0.965 651 S CB 0.016 63.132 63.200 -0.141 0.000 0.798 651 S HN 0.132 nan 8.310 nan 0.000 0.488 652 K N 0.819 121.080 120.400 -0.232 0.000 2.360 652 K HA 0.393 4.711 4.320 -0.004 0.000 0.196 652 K C 1.224 177.729 176.600 -0.160 0.000 1.049 652 K CA 0.298 56.481 56.287 -0.173 0.000 1.049 652 K CB 0.389 32.789 32.500 -0.168 0.000 0.881 652 K HN 0.500 nan 8.250 nan 0.000 0.542 653 G N 2.055 110.703 108.800 -0.252 0.000 2.645 653 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.239 653 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.239 653 G C -0.521 174.367 174.900 -0.019 0.000 1.331 653 G CA -0.742 44.311 45.100 -0.079 0.000 0.890 653 G HN 0.110 nan 8.290 nan 0.000 0.572 654 L N -0.160 121.184 121.223 0.203 0.000 2.367 654 L HA 0.492 4.830 4.340 -0.004 0.000 0.275 654 L C 0.479 177.391 176.870 0.071 0.000 1.129 654 L CA -0.612 54.352 54.840 0.207 0.000 0.839 654 L CB 1.181 43.358 42.059 0.197 0.000 1.133 654 L HN 0.439 nan 8.230 nan 0.000 0.453 655 V N 3.070 123.011 119.914 0.045 0.000 2.409 655 V HA 0.627 4.745 4.120 -0.004 0.000 0.291 655 V C 0.580 176.678 176.094 0.007 0.000 1.020 655 V CA -0.361 61.943 62.300 0.006 0.000 0.848 655 V CB 1.340 33.152 31.823 -0.018 0.000 0.990 655 V HN 0.919 nan 8.190 nan 0.000 0.430 656 G N 3.193 111.992 108.800 -0.002 0.000 2.990 656 G HA2 0.662 4.620 3.960 -0.004 0.000 0.208 656 G HA3 0.662 4.620 3.960 -0.004 0.000 0.208 656 G C -0.626 174.259 174.900 -0.026 0.000 1.334 656 G CA -0.450 44.644 45.100 -0.010 0.000 1.024 656 G HN 0.541 nan 8.290 nan 0.000 0.574 657 T N 0.188 114.720 114.554 -0.036 0.000 2.840 657 T HA 0.353 4.701 4.350 -0.004 0.000 0.287 657 T C 0.555 175.220 174.700 -0.059 0.000 0.991 657 T CA -0.371 61.697 62.100 -0.052 0.000 0.964 657 T CB 2.322 71.149 68.868 -0.068 0.000 0.954 657 T HN 0.555 nan 8.240 nan 0.000 0.438 658 E N 2.381 122.549 120.200 -0.053 0.000 2.033 658 E HA 0.114 4.462 4.350 -0.004 0.000 0.189 658 E C 0.573 177.140 176.600 -0.055 0.000 0.979 658 E CA 0.688 57.058 56.400 -0.051 0.000 0.802 658 E CB 0.390 30.071 29.700 -0.032 0.000 0.763 658 E HN 0.484 nan 8.360 nan 0.000 0.449 659 M N 0.971 120.537 119.600 -0.058 0.000 2.518 659 M HA 0.347 4.825 4.480 -0.004 0.000 0.300 659 M C -1.704 174.514 176.300 -0.138 0.000 1.175 659 M CA -0.512 54.749 55.300 -0.064 0.000 0.890 659 M CB 1.662 34.253 32.600 -0.015 0.000 1.710 659 M HN -0.092 nan 8.290 nan 0.000 0.453 660 L N 4.266 125.348 121.223 -0.234 0.000 2.375 660 L HA 0.450 4.788 4.340 -0.004 0.000 0.268 660 L C -0.710 175.882 176.870 -0.463 0.000 1.058 660 L CA -0.780 53.740 54.840 -0.533 0.000 0.803 660 L CB 0.675 42.124 42.059 -1.016 0.000 1.212 660 L HN 0.932 nan 8.230 nan 0.000 0.451 661 Y N -1.089 119.116 120.300 -0.158 0.000 4.569 661 Y HA -0.256 4.292 4.550 -0.003 0.000 0.237 661 Y C 1.820 177.590 175.900 -0.217 0.000 1.090 661 Y CA 0.701 58.602 58.100 -0.332 0.000 2.052 661 Y CB -2.832 35.403 38.460 -0.376 0.000 1.621 661 Y HN 0.805 nan 8.280 nan 0.000 0.682 662 T N -3.301 111.226 114.554 -0.045 0.000 3.051 662 T HA -0.063 4.285 4.350 -0.004 0.000 0.269 662 T C 1.114 175.814 174.700 0.000 0.000 1.127 662 T CA 1.524 63.626 62.100 0.003 0.000 1.107 662 T CB 0.101 68.968 68.868 -0.001 0.000 0.898 662 T HN 0.503 nan 8.240 nan 0.000 0.517 663 E N 0.533 120.695 120.200 -0.063 0.000 2.526 663 E HA 0.288 4.636 4.350 -0.004 0.000 0.208 663 E C 1.402 177.874 176.600 -0.213 0.000 0.997 663 E CA 0.316 56.677 56.400 -0.066 0.000 0.961 663 E CB 0.557 30.232 29.700 -0.042 0.000 1.030 663 E HN 0.640 nan 8.360 nan 0.000 0.483 664 G N 2.566 111.170 108.800 -0.326 0.000 2.143 664 G HA2 -0.307 3.651 3.960 -0.004 0.000 0.248 664 G HA3 -0.307 3.651 3.960 -0.004 0.000 0.248 664 G C 0.071 174.639 174.900 -0.553 0.000 0.991 664 G CA 0.233 44.978 45.100 -0.592 0.000 0.689 664 G HN 0.162 nan 8.290 nan 0.000 0.522 665 K N 0.335 120.476 120.400 -0.432 0.000 2.266 665 K HA 0.544 4.862 4.320 -0.004 0.000 0.274 665 K C -0.222 176.203 176.600 -0.292 0.000 1.090 665 K CA -0.460 55.703 56.287 -0.207 0.000 0.925 665 K CB 0.537 32.997 32.500 -0.067 0.000 1.225 665 K HN 0.148 nan 8.250 nan 0.000 0.458 666 F N 0.746 120.705 119.950 0.016 0.000 2.380 666 F HA 0.116 4.641 4.527 -0.003 0.000 0.319 666 F C 1.101 176.882 175.800 -0.032 0.000 1.113 666 F CA -0.665 57.271 58.000 -0.107 0.000 1.056 666 F CB 0.717 39.533 39.000 -0.307 0.000 1.289 666 F HN 0.376 nan 8.300 nan 0.000 0.515 667 D N 1.277 121.768 120.400 0.153 0.000 2.713 667 D HA 0.153 4.790 4.640 -0.004 0.000 0.229 667 D C -0.025 176.289 176.300 0.022 0.000 1.136 667 D CA 0.252 54.318 54.000 0.110 0.000 1.010 667 D CB -0.367 40.527 40.800 0.156 0.000 1.084 667 D HN 0.568 nan 8.370 nan 0.000 0.495 668 T N -3.197 111.358 114.554 0.002 0.000 2.812 668 T HA 0.158 4.506 4.350 -0.004 0.000 0.294 668 T C 1.159 175.883 174.700 0.040 0.000 1.159 668 T CA -0.892 61.178 62.100 -0.050 0.000 1.008 668 T CB 2.137 70.817 68.868 -0.314 0.000 1.289 668 T HN -0.037 nan 8.240 nan 0.000 0.514 669 D N 1.356 121.808 120.400 0.085 0.000 2.126 669 D HA -0.228 4.410 4.640 -0.004 0.000 0.190 669 D C 0.948 177.309 176.300 0.103 0.000 1.001 669 D CA 2.299 56.360 54.000 0.101 0.000 0.841 669 D CB -0.598 40.277 40.800 0.126 0.000 0.949 669 D HN 0.768 nan 8.370 nan 0.000 0.446 670 D N -1.776 118.711 120.400 0.145 0.000 2.363 670 D HA 0.226 4.864 4.640 -0.004 0.000 0.214 670 D C 1.657 178.036 176.300 0.131 0.000 1.093 670 D CA 0.473 54.552 54.000 0.132 0.000 0.837 670 D CB 0.068 40.956 40.800 0.146 0.000 0.948 670 D HN 0.449 nan 8.370 nan 0.000 0.507 671 G N 0.236 109.107 108.800 0.119 0.000 2.189 671 G HA2 -0.336 3.622 3.960 -0.004 0.000 0.267 671 G HA3 -0.336 3.622 3.960 -0.004 0.000 0.267 671 G C 0.171 175.205 174.900 0.223 0.000 0.975 671 G CA 0.460 45.642 45.100 0.136 0.000 0.644 671 G HN 0.485 nan 8.290 nan 0.000 0.537 672 K N 0.379 120.895 120.400 0.193 0.000 2.098 672 K HA 0.724 5.042 4.320 -0.004 0.000 0.258 672 K C 0.551 177.108 176.600 -0.072 0.000 0.973 672 K CA -0.138 56.260 56.287 0.184 0.000 0.898 672 K CB 1.629 34.237 32.500 0.180 0.000 1.057 672 K HN 0.430 nan 8.250 nan 0.000 0.447 673 A N 2.094 124.656 122.820 -0.429 0.000 2.388 673 A HA 0.186 4.504 4.320 -0.004 0.000 0.257 673 A C -0.841 176.560 177.584 -0.304 0.000 1.095 673 A CA -0.153 51.386 52.037 -0.829 0.000 0.791 673 A CB -0.104 18.023 19.000 -1.455 0.000 1.029 673 A HN 0.755 nan 8.150 nan 0.000 0.489 674 H N 0.906 119.771 119.070 -0.342 0.000 2.481 674 H HA 0.403 4.957 4.556 -0.003 0.000 0.333 674 H C -1.092 174.110 175.328 -0.210 0.000 1.066 674 H CA -0.590 55.357 56.048 -0.168 0.000 1.209 674 H CB 1.140 30.855 29.762 -0.077 0.000 1.445 674 H HN 0.610 nan 8.280 nan 0.000 0.488 675 F N 2.282 122.232 119.950 0.001 0.000 2.410 675 F HA 0.251 4.776 4.527 -0.004 0.000 0.334 675 F C 0.629 176.391 175.800 -0.062 0.000 1.134 675 F CA 0.116 58.077 58.000 -0.064 0.000 1.227 675 F CB 0.745 39.732 39.000 -0.022 0.000 1.194 675 F HN 0.326 nan 8.300 nan 0.000 0.571 676 K N 2.661 123.109 120.400 0.079 0.000 2.435 676 K HA 0.420 4.738 4.320 -0.004 0.000 0.251 676 K C -2.731 173.880 176.600 0.019 0.000 0.954 676 K CA -2.013 54.294 56.287 0.033 0.000 0.820 676 K CB 2.166 34.646 32.500 -0.034 0.000 1.292 676 K HN 0.217 nan 8.250 nan 0.000 0.436 677 P HA 0.104 nan 4.420 nan 0.000 0.275 677 P C -1.303 176.027 177.300 0.050 0.000 1.228 677 P CA -0.362 62.764 63.100 0.043 0.000 0.786 677 P CB 0.923 32.657 31.700 0.056 0.000 0.927 678 A N 3.849 126.704 122.820 0.058 0.000 2.943 678 A HA 0.465 4.783 4.320 -0.004 0.000 0.327 678 A C -2.467 175.197 177.584 0.134 0.000 1.141 678 A CA -1.460 50.628 52.037 0.085 0.000 0.773 678 A CB 0.415 19.444 19.000 0.049 0.000 1.143 678 A HN 0.341 nan 8.150 nan 0.000 0.463 679 P HA -0.009 nan 4.420 nan 0.000 0.271 679 P C -0.340 177.089 177.300 0.215 0.000 1.216 679 P CA 0.106 63.292 63.100 0.143 0.000 0.771 679 P CB 0.636 32.390 31.700 0.089 0.000 0.864 680 W N 5.442 126.759 121.300 0.030 0.000 2.308 680 W HA 0.185 4.843 4.660 -0.004 0.000 0.311 680 W C -0.529 175.997 176.519 0.012 0.000 1.088 680 W CA -0.572 56.785 57.345 0.019 0.000 1.309 680 W CB 0.683 30.151 29.460 0.012 0.000 1.229 680 W HN 0.352 nan 8.180 nan 0.000 0.427 681 N N 4.425 122.697 118.700 -0.714 0.000 2.187 681 N HA 0.159 4.897 4.740 -0.004 0.000 0.212 681 N C 0.852 175.783 175.510 -0.966 0.000 1.152 681 N CA 0.807 53.446 53.050 -0.685 0.000 0.872 681 N CB 1.002 39.299 38.487 -0.316 0.000 1.025 681 N HN 0.721 nan 8.380 nan 0.000 0.514 682 G N 1.142 108.805 108.800 -1.895 0.000 2.741 682 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.222 682 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.222 682 G C -0.465 174.047 174.900 -0.646 0.000 1.364 682 G CA -0.707 43.674 45.100 -1.198 0.000 0.866 682 G HN 0.160 nan 8.290 nan 0.000 0.555 683 L N 1.359 122.404 121.223 -0.297 0.000 2.467 683 L HA 0.316 4.654 4.340 -0.004 0.000 0.270 683 L C -1.472 175.224 176.870 -0.289 0.000 1.205 683 L CA -1.409 53.327 54.840 -0.173 0.000 0.828 683 L CB 0.345 42.360 42.059 -0.073 0.000 1.101 683 L HN 0.383 nan 8.230 nan 0.000 0.479 684 P HA -0.002 nan 4.420 nan 0.000 0.269 684 P C 0.028 177.142 177.300 -0.310 0.000 1.215 684 P CA -0.043 62.695 63.100 -0.603 0.000 0.780 684 P CB 0.762 31.495 31.700 -1.611 0.000 0.898 685 A N 2.358 125.081 122.820 -0.162 0.000 1.908 685 A HA -0.175 4.143 4.320 -0.004 0.000 0.218 685 A C 2.071 179.652 177.584 -0.004 0.000 1.181 685 A CA 2.292 54.294 52.037 -0.059 0.000 0.627 685 A CB -1.849 17.155 19.000 0.006 0.000 0.818 685 A HN 0.544 nan 8.150 nan 0.000 0.445 686 T N -0.365 114.219 114.554 0.049 0.000 2.720 686 T HA -0.135 4.213 4.350 -0.004 0.000 0.268 686 T C 1.860 176.637 174.700 0.129 0.000 1.037 686 T CA 1.740 63.941 62.100 0.168 0.000 1.144 686 T CB -0.382 68.672 68.868 0.310 0.000 0.864 686 T HN 0.188 nan 8.240 nan 0.000 0.444 687 V N 1.140 121.055 119.914 0.002 0.000 2.379 687 V HA -0.131 3.987 4.120 -0.004 0.000 0.245 687 V C 2.577 178.671 176.094 0.000 0.000 1.044 687 V CA 1.566 63.893 62.300 0.045 0.000 1.036 687 V CB -0.668 31.167 31.823 0.019 0.000 0.664 687 V HN 0.344 nan 8.190 nan 0.000 0.453 688 Q N 0.314 120.058 119.800 -0.093 0.000 2.135 688 Q HA -0.245 4.093 4.340 -0.004 0.000 0.204 688 Q C 2.219 178.156 176.000 -0.105 0.000 0.981 688 Q CA 1.916 57.619 55.803 -0.168 0.000 0.856 688 Q CB -0.346 28.299 28.738 -0.154 0.000 0.902 688 Q HN 0.672 nan 8.270 nan 0.000 0.425 689 Q N -0.963 118.832 119.800 -0.009 0.000 2.124 689 Q HA -0.188 4.149 4.340 -0.004 0.000 0.202 689 Q C 2.084 178.135 176.000 0.085 0.000 0.977 689 Q CA 1.350 57.172 55.803 0.032 0.000 0.850 689 Q CB -0.003 28.786 28.738 0.084 0.000 0.901 689 Q HN 0.455 nan 8.270 nan 0.000 0.429 690 Q N 0.640 120.556 119.800 0.193 0.000 2.079 690 Q HA -0.129 4.209 4.340 -0.004 0.000 0.200 690 Q C 1.805 177.968 176.000 0.271 0.000 0.974 690 Q CA 1.108 57.129 55.803 0.364 0.000 0.840 690 Q CB -0.225 28.788 28.738 0.459 0.000 0.898 690 Q HN 0.278 nan 8.270 nan 0.000 0.430 691 K N 0.685 121.065 120.400 -0.033 0.000 2.147 691 K HA -0.149 4.169 4.320 -0.004 0.000 0.205 691 K C 1.083 177.520 176.600 -0.271 0.000 1.049 691 K CA 1.315 57.324 56.287 -0.464 0.000 0.936 691 K CB 0.192 31.996 32.500 -1.160 0.000 0.722 691 K HN 0.037 nan 8.250 nan 0.000 0.446 692 D N 0.179 120.468 120.400 -0.184 0.000 2.269 692 D HA -0.107 4.531 4.640 -0.004 0.000 0.208 692 D C 1.581 177.793 176.300 -0.146 0.000 0.963 692 D CA 0.961 54.868 54.000 -0.154 0.000 0.864 692 D CB 0.212 40.938 40.800 -0.123 0.000 0.936 692 D HN 0.258 nan 8.370 nan 0.000 0.505 693 K N -1.089 119.210 120.400 -0.168 0.000 2.242 693 K HA -0.002 4.316 4.320 -0.004 0.000 0.200 693 K C -0.192 176.098 176.600 -0.517 0.000 1.050 693 K CA 0.339 56.395 56.287 -0.385 0.000 0.981 693 K CB 0.426 32.597 32.500 -0.549 0.000 0.795 693 K HN -0.035 nan 8.250 nan 0.000 0.477 694 Y N -0.410 119.914 120.300 0.040 0.000 2.562 694 Y HA 0.331 4.879 4.550 -0.004 0.000 0.343 694 Y C 1.047 177.002 175.900 0.091 0.000 1.025 694 Y CA -1.087 57.053 58.100 0.066 0.000 1.082 694 Y CB 1.448 39.973 38.460 0.108 0.000 1.264 694 Y HN -0.241 nan 8.280 nan 0.000 0.478 695 R N 0.658 121.283 120.500 0.209 0.000 2.062 695 R HA 0.120 4.458 4.340 -0.004 0.000 0.226 695 R C -0.592 175.702 176.300 -0.010 0.000 1.125 695 R CA 0.949 57.014 56.100 -0.059 0.000 0.966 695 R CB 0.032 30.070 30.300 -0.437 0.000 0.861 695 R HN 0.514 nan 8.270 nan 0.000 0.433 696 F N -0.297 119.824 119.950 0.285 0.000 2.421 696 F HA 0.206 4.731 4.527 -0.004 0.000 0.337 696 F C -0.167 175.635 175.800 0.003 0.000 1.105 696 F CA -1.179 56.935 58.000 0.189 0.000 1.049 696 F CB 0.756 39.777 39.000 0.035 0.000 1.139 696 F HN 0.062 nan 8.300 nan 0.000 0.479 697 W N 5.961 127.129 121.300 -0.219 0.000 2.304 697 W HA 0.428 5.086 4.660 -0.004 0.000 0.313 697 W C -1.109 175.105 176.519 -0.508 0.000 1.323 697 W CA -1.428 55.280 57.345 -1.062 0.000 1.223 697 W CB 0.473 29.506 29.460 -0.711 0.000 1.237 697 W HN 0.380 nan 8.180 nan 0.000 0.535 698 L N 7.660 128.354 121.223 -0.881 0.000 2.512 698 L HA 0.099 4.437 4.340 -0.004 0.000 0.247 698 L C 0.664 176.943 176.870 -0.985 0.000 1.204 698 L CA -0.597 53.807 54.840 -0.725 0.000 1.153 698 L CB -0.933 40.874 42.059 -0.421 0.000 1.415 698 L HN 0.457 nan 8.230 nan 0.000 0.406 699 N N 2.899 120.714 118.700 -1.476 0.000 2.381 699 N HA 0.112 4.850 4.740 -0.004 0.000 0.241 699 N C -0.509 174.555 175.510 -0.744 0.000 1.279 699 N CA 0.207 52.495 53.050 -1.271 0.000 0.896 699 N CB 0.597 38.168 38.487 -1.527 0.000 1.118 699 N HN 0.640 nan 8.380 nan 0.000 0.438 700 N N -0.944 117.423 118.700 -0.555 0.000 2.859 700 N HA 0.715 5.453 4.740 -0.004 0.000 0.250 700 N C -0.546 174.707 175.510 -0.428 0.000 1.341 700 N CA -0.496 52.083 53.050 -0.785 0.000 0.881 700 N CB 1.265 39.481 38.487 -0.451 0.000 1.516 700 N HN 0.677 nan 8.380 nan 0.000 0.503 701 G N -0.228 108.293 108.800 -0.465 0.000 2.404 701 G HA2 0.336 4.294 3.960 -0.004 0.000 0.253 701 G HA3 0.336 4.294 3.960 -0.004 0.000 0.253 701 G C -1.661 173.379 174.900 0.234 0.000 1.253 701 G CA -0.959 44.153 45.100 0.020 0.000 0.917 701 G HN 0.576 nan 8.290 nan 0.000 0.480 702 R N 0.579 121.260 120.500 0.301 0.000 2.500 702 R HA 0.598 4.936 4.340 -0.004 0.000 0.275 702 R C 0.130 176.558 176.300 0.214 0.000 1.051 702 R CA -0.660 55.578 56.100 0.230 0.000 1.088 702 R CB 0.760 31.123 30.300 0.105 0.000 1.063 702 R HN 0.562 nan 8.270 nan 0.000 0.511 703 N N 0.903 119.656 118.700 0.088 0.000 2.314 703 N HA 0.048 4.786 4.740 -0.004 0.000 0.294 703 N C 0.148 175.661 175.510 0.004 0.000 1.029 703 N CA -0.323 52.748 53.050 0.035 0.000 0.845 703 N CB 1.390 39.819 38.487 -0.097 0.000 1.321 703 N HN 0.543 nan 8.380 nan 0.000 0.481 704 N N 2.772 121.477 118.700 0.009 0.000 2.094 704 N HA -0.201 4.536 4.740 -0.004 0.000 0.191 704 N C 0.668 176.193 175.510 0.024 0.000 1.023 704 N CA 2.025 55.068 53.050 -0.011 0.000 0.857 704 N CB 0.261 38.727 38.487 -0.034 0.000 1.013 704 N HN 0.588 nan 8.380 nan 0.000 0.426 705 E N -0.888 119.349 120.200 0.060 0.000 2.230 705 E HA 0.095 4.443 4.350 -0.004 0.000 0.192 705 E C -0.170 176.485 176.600 0.092 0.000 0.987 705 E CA 0.193 56.657 56.400 0.108 0.000 0.841 705 E CB 0.288 30.139 29.700 0.252 0.000 0.783 705 E HN 0.073 nan 8.360 nan 0.000 0.481 706 V N 1.887 121.808 119.914 0.012 0.000 2.461 706 V HA 0.057 4.175 4.120 -0.004 0.000 0.275 706 V C -0.544 175.591 176.094 0.068 0.000 1.047 706 V CA -0.570 61.734 62.300 0.007 0.000 0.955 706 V CB 0.780 32.507 31.823 -0.161 0.000 0.988 706 V HN 0.298 nan 8.190 nan 0.000 0.471 707 W N 6.628 127.844 121.300 -0.140 0.000 2.308 707 W HA 0.305 4.963 4.660 -0.003 0.000 0.311 707 W C 0.314 176.756 176.519 -0.128 0.000 1.088 707 W CA -0.444 56.789 57.345 -0.187 0.000 1.309 707 W CB 0.935 30.125 29.460 -0.450 0.000 1.229 707 W HN 0.805 nan 8.180 nan 0.000 0.427 708 Q N 1.093 120.479 119.800 -0.691 0.000 1.802 708 Q HA -0.332 4.006 4.340 -0.004 0.000 0.387 708 Q C 1.446 177.215 176.000 -0.385 0.000 0.822 708 Q CA 2.822 58.278 55.803 -0.579 0.000 0.840 708 Q CB -1.770 26.454 28.738 -0.856 0.000 3.553 708 Q HN 0.725 nan 8.270 nan 0.000 0.735 709 T N -0.984 113.463 114.554 -0.179 0.000 3.252 709 T HA 0.470 4.818 4.350 -0.004 0.000 0.250 709 T C 0.842 175.474 174.700 -0.112 0.000 1.123 709 T CA 1.327 63.345 62.100 -0.136 0.000 1.006 709 T CB -0.223 68.642 68.868 -0.004 0.000 0.992 709 T HN 1.399 nan 8.240 nan 0.000 0.547 710 A N 0.942 123.674 122.820 -0.147 0.000 2.822 710 A HA -0.231 4.087 4.320 -0.004 0.000 0.287 710 A C 0.922 178.344 177.584 -0.270 0.000 1.479 710 A CA 1.095 53.014 52.037 -0.196 0.000 0.779 710 A CB -2.981 15.916 19.000 -0.172 0.000 1.022 710 A HN 1.025 nan 8.150 nan 0.000 0.532 711 Y N -3.093 117.107 120.300 -0.166 0.000 2.242 711 Y HA -0.113 4.435 4.550 -0.004 0.000 0.291 711 Y C 2.222 177.858 175.900 -0.440 0.000 1.137 711 Y CA 1.585 59.528 58.100 -0.261 0.000 1.181 711 Y CB -0.504 37.931 38.460 -0.042 0.000 0.989 711 Y HN 0.570 nan 8.280 nan 0.000 0.527 712 H N 0.143 118.941 119.070 -0.454 0.000 2.370 712 H HA -0.029 4.525 4.556 -0.004 0.000 0.304 712 H C 1.429 176.411 175.328 -0.577 0.000 1.055 712 H CA 1.189 56.879 56.048 -0.598 0.000 1.373 712 H CB -0.309 28.668 29.762 -1.308 0.000 1.423 712 H HN 0.375 nan 8.280 nan 0.000 0.533 713 D N 1.282 121.500 120.400 -0.303 0.000 2.190 713 D HA -0.174 4.464 4.640 -0.004 0.000 0.200 713 D C 2.204 178.442 176.300 -0.105 0.000 0.992 713 D CA 1.056 55.023 54.000 -0.054 0.000 0.854 713 D CB -0.244 40.582 40.800 0.044 0.000 0.936 713 D HN 0.652 nan 8.370 nan 0.000 0.462 714 Q N -0.523 119.076 119.800 -0.334 0.000 2.364 714 Q HA -0.172 4.165 4.340 -0.004 0.000 0.209 714 Q C 1.066 176.780 176.000 -0.477 0.000 0.977 714 Q CA 1.174 56.691 55.803 -0.476 0.000 0.885 714 Q CB -0.394 27.907 28.738 -0.728 0.000 0.941 714 Q HN 0.443 nan 8.270 nan 0.000 0.464 715 Y N 0.282 120.518 120.300 -0.106 0.000 2.449 715 Y HA 0.211 4.759 4.550 -0.004 0.000 0.254 715 Y C 0.629 176.554 175.900 0.042 0.000 1.140 715 Y CA -0.719 57.355 58.100 -0.043 0.000 1.272 715 Y CB 0.594 39.016 38.460 -0.062 0.000 1.114 715 Y HN 0.162 nan 8.280 nan 0.000 0.525 716 N N 1.043 119.859 118.700 0.194 0.000 2.422 716 N HA -0.020 4.718 4.740 -0.004 0.000 0.264 716 N C 1.112 176.699 175.510 0.130 0.000 1.063 716 N CA 0.525 53.706 53.050 0.219 0.000 0.959 716 N CB 1.319 40.001 38.487 0.325 0.000 1.087 716 N HN 0.258 nan 8.380 nan 0.000 0.483 717 S N 4.614 120.376 115.700 0.104 0.000 2.383 717 S HA -0.140 4.328 4.470 -0.004 0.000 0.229 717 S C 1.964 176.589 174.600 0.042 0.000 1.030 717 S CA 0.649 58.887 58.200 0.064 0.000 1.002 717 S CB -0.255 62.975 63.200 0.050 0.000 0.829 717 S HN 0.632 nan 8.310 nan 0.000 0.467 718 L N 0.056 121.304 121.223 0.041 0.000 2.056 718 L HA -0.027 4.311 4.340 -0.004 0.000 0.207 718 L C 2.959 179.837 176.870 0.013 0.000 1.078 718 L CA 1.229 56.076 54.840 0.011 0.000 0.749 718 L CB -0.588 41.476 42.059 0.008 0.000 0.901 718 L HN 0.353 nan 8.230 nan 0.000 0.433 719 M N -0.713 118.930 119.600 0.072 0.000 2.117 719 M HA -0.177 4.300 4.480 -0.004 0.000 0.262 719 M C 2.221 178.588 176.300 0.111 0.000 1.065 719 M CA 1.536 56.911 55.300 0.126 0.000 1.114 719 M CB -0.987 31.730 32.600 0.193 0.000 1.361 719 M HN 0.262 nan 8.290 nan 0.000 0.408 720 Q N -0.184 119.662 119.800 0.078 0.000 2.297 720 Q HA -0.113 4.225 4.340 -0.004 0.000 0.204 720 Q C 1.831 177.837 176.000 0.010 0.000 0.962 720 Q CA 1.008 56.848 55.803 0.061 0.000 0.879 720 Q CB -0.339 28.423 28.738 0.039 0.000 0.947 720 Q HN 0.667 nan 8.270 nan 0.000 0.462 721 E N 0.606 120.793 120.200 -0.022 0.000 2.107 721 E HA -0.176 4.172 4.350 -0.004 0.000 0.191 721 E C 1.958 178.459 176.600 -0.165 0.000 0.982 721 E CA 0.726 57.089 56.400 -0.063 0.000 0.809 721 E CB 0.187 29.855 29.700 -0.054 0.000 0.756 721 E HN 0.057 nan 8.360 nan 0.000 0.459 722 R N -0.564 119.796 120.500 -0.233 0.000 2.080 722 R HA -0.029 4.309 4.340 -0.004 0.000 0.222 722 R C -0.002 175.874 176.300 -0.707 0.000 1.107 722 R CA 1.220 57.011 56.100 -0.515 0.000 0.980 722 R CB 0.046 29.974 30.300 -0.619 0.000 0.879 722 R HN 0.171 nan 8.270 nan 0.000 0.439 723 Y N 0.484 120.731 120.300 -0.088 0.000 2.584 723 Y HA 0.366 4.914 4.550 -0.004 0.000 0.358 723 Y C -1.837 174.061 175.900 -0.004 0.000 1.028 723 Y CA -2.224 55.828 58.100 -0.079 0.000 1.148 723 Y CB 1.940 40.364 38.460 -0.060 0.000 1.126 723 Y HN 0.141 nan 8.280 nan 0.000 0.658 724 P HA -0.118 nan 4.420 nan 0.000 0.223 724 P C 0.211 177.557 177.300 0.077 0.000 1.151 724 P CA 1.225 64.304 63.100 -0.036 0.000 0.787 724 P CB 0.968 32.545 31.700 -0.206 0.000 0.788 725 M N -1.230 118.388 119.600 0.030 0.000 2.575 725 M HA 0.604 5.082 4.480 -0.004 0.000 0.284 725 M C -1.301 175.116 176.300 0.195 0.000 1.253 725 M CA -1.053 54.375 55.300 0.214 0.000 0.861 725 M CB 2.680 35.397 32.600 0.196 0.000 1.733 725 M HN -0.240 nan 8.290 nan 0.000 0.462 726 A N 2.151 125.093 122.820 0.203 0.000 2.531 726 A HA 0.373 4.691 4.320 -0.004 0.000 0.236 726 A C -1.199 176.398 177.584 0.021 0.000 1.062 726 A CA 0.216 52.188 52.037 -0.108 0.000 0.760 726 A CB -0.372 18.590 19.000 -0.064 0.000 0.995 726 A HN 0.790 nan 8.150 nan 0.000 0.501 727 Y N -0.214 120.055 120.300 -0.051 0.000 2.549 727 Y HA 0.766 5.313 4.550 -0.004 0.000 0.339 727 Y C -0.570 175.345 175.900 0.025 0.000 1.053 727 Y CA -1.869 56.292 58.100 0.101 0.000 1.105 727 Y CB 1.274 39.921 38.460 0.311 0.000 1.258 727 Y HN 0.566 nan 8.280 nan 0.000 0.478 728 I N 2.327 123.019 120.570 0.204 0.000 2.439 728 I HA 0.315 4.483 4.170 -0.004 0.000 0.285 728 I C -1.083 175.165 176.117 0.219 0.000 1.021 728 I CA -0.611 60.715 61.300 0.043 0.000 1.091 728 I CB 1.187 39.138 38.000 -0.081 0.000 1.242 728 I HN 0.807 nan 8.210 nan 0.000 0.439 729 E N 8.304 128.653 120.200 0.248 0.000 2.324 729 E HA 0.327 4.675 4.350 -0.004 0.000 0.271 729 E C -0.893 175.782 176.600 0.125 0.000 1.028 729 E CA 0.043 56.589 56.400 0.243 0.000 0.890 729 E CB 1.147 30.982 29.700 0.225 0.000 1.004 729 E HN 0.546 nan 8.360 nan 0.000 0.431 730 M N 2.496 122.168 119.600 0.120 0.000 2.518 730 M HA 0.212 4.690 4.480 -0.004 0.000 0.300 730 M C -0.152 176.210 176.300 0.103 0.000 1.175 730 M CA -0.909 54.430 55.300 0.065 0.000 0.890 730 M CB 2.078 34.676 32.600 -0.004 0.000 1.710 730 M HN 0.411 nan 8.290 nan 0.000 0.453 731 N N 2.908 121.683 118.700 0.125 0.000 2.492 731 N HA 0.087 4.825 4.740 -0.004 0.000 0.262 731 N C -2.181 173.396 175.510 0.111 0.000 1.202 731 N CA -0.829 52.298 53.050 0.129 0.000 0.926 731 N CB 1.352 39.934 38.487 0.159 0.000 1.078 731 N HN 0.276 nan 8.380 nan 0.000 0.454 732 P HA -0.089 nan 4.420 nan 0.000 0.216 732 P C 0.422 177.767 177.300 0.075 0.000 1.150 732 P CA 1.106 64.252 63.100 0.075 0.000 0.837 732 P CB 0.289 32.028 31.700 0.065 0.000 0.786 733 D N -0.879 119.571 120.400 0.084 0.000 2.144 733 D HA -0.126 4.512 4.640 -0.004 0.000 0.200 733 D C 1.444 177.807 176.300 0.104 0.000 0.978 733 D CA 1.052 55.101 54.000 0.082 0.000 0.833 733 D CB -0.588 40.258 40.800 0.077 0.000 0.961 733 D HN 0.172 nan 8.370 nan 0.000 0.470 734 D N 0.055 120.541 120.400 0.143 0.000 2.144 734 D HA -0.083 4.555 4.640 -0.004 0.000 0.200 734 D C 2.212 178.608 176.300 0.160 0.000 0.978 734 D CA 0.466 54.592 54.000 0.209 0.000 0.833 734 D CB -0.403 40.614 40.800 0.361 0.000 0.961 734 D HN 0.204 nan 8.370 nan 0.000 0.470 735 C N 1.079 120.441 119.300 0.104 0.000 2.446 735 C HA -0.058 4.400 4.460 -0.004 0.000 0.277 735 C C 2.491 177.514 174.990 0.056 0.000 1.275 735 C CA 0.336 59.389 59.018 0.060 0.000 1.727 735 C CB -0.477 27.284 27.740 0.034 0.000 2.010 735 C HN 0.372 nan 8.230 nan 0.000 0.486 736 K N 0.315 120.749 120.400 0.057 0.000 2.097 736 K HA -0.204 4.114 4.320 -0.004 0.000 0.206 736 K C 2.287 178.920 176.600 0.055 0.000 1.049 736 K CA 1.045 57.360 56.287 0.046 0.000 0.933 736 K CB -0.369 32.157 32.500 0.043 0.000 0.717 736 K HN 0.499 nan 8.250 nan 0.000 0.442 737 Q N 1.257 121.101 119.800 0.074 0.000 2.084 737 Q HA -0.112 4.226 4.340 -0.004 0.000 0.202 737 Q C 1.818 177.869 176.000 0.085 0.000 0.978 737 Q CA 1.355 57.205 55.803 0.079 0.000 0.844 737 Q CB 0.030 28.825 28.738 0.095 0.000 0.898 737 Q HN 0.357 nan 8.270 nan 0.000 0.426 738 L N 0.812 122.095 121.223 0.100 0.000 2.599 738 L HA -0.008 4.330 4.340 -0.004 0.000 0.230 738 L C 0.107 177.014 176.870 0.062 0.000 1.141 738 L CA 0.253 55.151 54.840 0.096 0.000 0.877 738 L CB 0.017 42.145 42.059 0.115 0.000 1.009 738 L HN 0.224 nan 8.230 nan 0.000 0.447 739 D N 0.675 121.103 120.400 0.048 0.000 2.689 739 D HA -0.155 4.483 4.640 -0.004 0.000 0.237 739 D C -0.470 175.839 176.300 0.016 0.000 1.148 739 D CA 0.784 54.801 54.000 0.029 0.000 0.656 739 D CB -0.667 40.150 40.800 0.029 0.000 1.050 739 D HN 0.139 nan 8.370 nan 0.000 0.426 740 V N -2.744 117.176 119.914 0.009 0.000 2.769 740 V HA 0.956 5.074 4.120 -0.004 0.000 0.312 740 V C 0.335 176.405 176.094 -0.041 0.000 1.061 740 V CA 0.021 62.312 62.300 -0.015 0.000 0.931 740 V CB 2.169 33.985 31.823 -0.013 0.000 1.010 740 V HN 0.196 nan 8.190 nan 0.000 0.433 741 T N 1.606 116.109 114.554 -0.085 0.000 2.716 741 T HA 0.695 5.043 4.350 -0.004 0.000 0.286 741 T C 0.350 174.875 174.700 -0.292 0.000 1.052 741 T CA 0.079 62.097 62.100 -0.136 0.000 1.024 741 T CB 1.514 70.319 68.868 -0.106 0.000 1.349 741 T HN 1.641 nan 8.240 nan 0.000 0.525 742 G N -0.600 107.922 108.800 -0.463 0.000 2.272 742 G HA2 0.404 4.362 3.960 -0.004 0.000 0.247 742 G HA3 0.404 4.362 3.960 -0.004 0.000 0.247 742 G C 1.195 175.375 174.900 -1.200 0.000 1.272 742 G CA 0.555 44.941 45.100 -1.190 0.000 0.921 742 G HN 1.730 nan 8.290 nan 0.000 0.495 743 G N 2.180 110.261 108.800 -1.198 0.000 2.213 743 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.236 743 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.236 743 G C 0.226 175.129 174.900 0.007 0.000 0.991 743 G CA 0.275 45.252 45.100 -0.205 0.000 0.629 743 G HN 0.756 nan 8.290 nan 0.000 0.517 744 D N 0.424 120.765 120.400 -0.098 0.000 2.339 744 D HA 0.537 5.174 4.640 -0.004 0.000 0.245 744 D C 0.862 177.202 176.300 0.066 0.000 1.115 744 D CA 0.147 54.136 54.000 -0.017 0.000 0.917 744 D CB 1.133 41.911 40.800 -0.036 0.000 1.192 744 D HN 0.333 nan 8.370 nan 0.000 0.428 745 I N 0.914 121.532 120.570 0.080 0.000 2.460 745 I HA 0.291 4.459 4.170 -0.004 0.000 0.298 745 I C 0.059 176.266 176.117 0.149 0.000 0.989 745 I CA -0.903 60.489 61.300 0.153 0.000 1.173 745 I CB 1.702 39.787 38.000 0.141 0.000 1.338 745 I HN 0.074 nan 8.210 nan 0.000 0.456 746 V N 1.780 121.800 119.914 0.177 0.000 2.914 746 V HA 0.552 4.669 4.120 -0.004 0.000 0.314 746 V C -0.544 175.639 176.094 0.149 0.000 1.084 746 V CA -0.838 61.549 62.300 0.144 0.000 0.963 746 V CB 1.820 33.666 31.823 0.040 0.000 1.025 746 V HN 0.822 nan 8.190 nan 0.000 0.432 747 E N 1.585 121.823 120.200 0.064 0.000 2.283 747 E HA 0.608 4.956 4.350 -0.004 0.000 0.278 747 E C -1.431 175.107 176.600 -0.103 0.000 1.027 747 E CA -0.574 55.648 56.400 -0.296 0.000 0.843 747 E CB 1.886 31.453 29.700 -0.221 0.000 1.062 747 E HN 0.699 nan 8.360 nan 0.000 0.401 748 V N 5.895 125.682 119.914 -0.212 0.000 2.495 748 V HA 0.471 4.589 4.120 -0.004 0.000 0.298 748 V C -1.003 175.045 176.094 -0.076 0.000 1.031 748 V CA -0.578 61.632 62.300 -0.151 0.000 0.871 748 V CB 0.679 32.380 31.823 -0.203 0.000 0.988 748 V HN 0.674 nan 8.190 nan 0.000 0.432 749 Y N 3.140 123.307 120.300 -0.221 0.000 2.677 749 Y HA 0.861 5.409 4.550 -0.004 0.000 0.334 749 Y C -0.769 174.901 175.900 -0.384 0.000 1.196 749 Y CA -1.151 56.807 58.100 -0.235 0.000 1.059 749 Y CB 1.549 39.898 38.460 -0.185 0.000 1.315 749 Y HN 0.664 nan 8.280 nan 0.000 0.455 750 N N -1.294 117.255 118.700 -0.250 0.000 3.526 750 N HA 0.229 4.967 4.740 -0.004 0.000 0.328 750 N C -0.610 174.857 175.510 -0.070 0.000 1.601 750 N CA -0.370 52.288 53.050 -0.653 0.000 0.834 750 N CB 0.092 38.227 38.487 -0.586 0.000 1.983 750 N HN 0.563 nan 8.380 nan 0.000 0.579 751 D N -0.683 119.778 120.400 0.102 0.000 2.219 751 D HA 0.046 4.683 4.640 -0.004 0.000 0.205 751 D C 0.991 177.197 176.300 -0.156 0.000 0.970 751 D CA 1.079 55.099 54.000 0.033 0.000 0.851 751 D CB -0.255 40.520 40.800 -0.041 0.000 0.943 751 D HN 0.391 nan 8.370 nan 0.000 0.488 752 F N 0.267 120.242 119.950 0.043 0.000 2.416 752 F HA 0.247 4.772 4.527 -0.003 0.000 0.296 752 F C 1.691 177.496 175.800 0.009 0.000 1.099 752 F CA 0.667 58.686 58.000 0.032 0.000 1.427 752 F CB 0.424 39.444 39.000 0.034 0.000 1.079 752 F HN -0.063 nan 8.300 nan 0.000 0.536 753 G N -1.302 107.577 108.800 0.132 0.000 2.342 753 G HA2 0.393 4.351 3.960 -0.004 0.000 0.297 753 G HA3 0.393 4.351 3.960 -0.004 0.000 0.297 753 G C -1.739 173.182 174.900 0.034 0.000 1.313 753 G CA -0.458 44.681 45.100 0.066 0.000 0.830 753 G HN -0.024 nan 8.290 nan 0.000 0.506 754 S N -1.269 114.426 115.700 -0.008 0.000 2.547 754 S HA 0.838 5.306 4.470 -0.004 0.000 0.281 754 S C -0.571 173.940 174.600 -0.149 0.000 1.118 754 S CA 0.454 58.609 58.200 -0.074 0.000 0.947 754 S CB 2.037 65.183 63.200 -0.090 0.000 1.053 754 S HN 1.364 nan 8.310 nan 0.000 0.482 755 T N 2.639 117.010 114.554 -0.305 0.000 2.681 755 T HA 0.821 5.169 4.350 -0.004 0.000 0.296 755 T C -2.000 172.306 174.700 -0.657 0.000 1.157 755 T CA -0.370 61.561 62.100 -0.281 0.000 1.025 755 T CB 0.658 69.469 68.868 -0.094 0.000 1.441 755 T HN 0.500 nan 8.240 nan 0.000 0.504 756 F N 0.287 120.247 119.950 0.016 0.000 2.599 756 F HA 0.857 5.382 4.527 -0.004 0.000 0.311 756 F C 0.145 175.966 175.800 0.035 0.000 1.076 756 F CA -0.591 57.429 58.000 0.033 0.000 0.937 756 F CB 2.371 41.400 39.000 0.047 0.000 1.282 756 F HN 0.821 nan 8.300 nan 0.000 0.460 757 A N 2.161 125.107 122.820 0.211 0.000 2.606 757 A HA 0.816 5.134 4.320 -0.004 0.000 0.293 757 A C -1.211 176.505 177.584 0.221 0.000 1.082 757 A CA -0.982 51.153 52.037 0.164 0.000 0.685 757 A CB 1.722 20.739 19.000 0.028 0.000 1.284 757 A HN 0.810 nan 8.150 nan 0.000 0.408 758 M N 1.107 120.868 119.600 0.269 0.000 2.188 758 M HA 0.670 5.148 4.480 -0.004 0.000 0.357 758 M C -0.768 175.679 176.300 0.245 0.000 1.204 758 M CA -0.565 54.921 55.300 0.311 0.000 1.095 758 M CB 0.912 33.758 32.600 0.411 0.000 1.604 758 M HN 0.246 nan 8.290 nan 0.000 0.464 759 V N 3.945 123.925 119.914 0.109 0.000 2.655 759 V HA 0.022 4.140 4.120 -0.004 0.000 0.300 759 V C -0.830 175.285 176.094 0.034 0.000 1.044 759 V CA 0.285 62.616 62.300 0.051 0.000 1.095 759 V CB 0.122 31.918 31.823 -0.044 0.000 0.952 759 V HN 0.848 nan 8.190 nan 0.000 0.485 760 Y N 6.043 126.385 120.300 0.070 0.000 2.535 760 Y HA 0.388 4.936 4.550 -0.003 0.000 0.341 760 Y C -2.498 173.458 175.900 0.093 0.000 1.041 760 Y CA -2.560 55.628 58.100 0.147 0.000 1.307 760 Y CB 2.105 40.753 38.460 0.312 0.000 1.095 760 Y HN 0.541 nan 8.280 nan 0.000 0.534 761 P HA 0.079 nan 4.420 nan 0.000 0.267 761 P C -1.200 176.259 177.300 0.264 0.000 1.205 761 P CA 0.261 63.468 63.100 0.178 0.000 0.765 761 P CB 1.139 32.881 31.700 0.070 0.000 0.828 762 V N 3.298 123.323 119.914 0.184 0.000 2.524 762 V HA 0.306 4.424 4.120 -0.004 0.000 0.297 762 V C 1.109 177.261 176.094 0.097 0.000 1.035 762 V CA -0.381 62.003 62.300 0.140 0.000 0.867 762 V CB 1.299 33.178 31.823 0.092 0.000 1.004 762 V HN 0.591 nan 8.190 nan 0.000 0.426 763 A N 3.188 126.057 122.820 0.080 0.000 1.986 763 A HA -0.154 4.164 4.320 -0.004 0.000 0.220 763 A C 1.756 179.377 177.584 0.062 0.000 1.171 763 A CA 2.056 54.132 52.037 0.065 0.000 0.640 763 A CB -0.151 18.879 19.000 0.050 0.000 0.811 763 A HN 0.860 nan 8.150 nan 0.000 0.451 764 E N -0.341 119.890 120.200 0.051 0.000 2.347 764 E HA 0.038 4.386 4.350 -0.004 0.000 0.196 764 E C 0.356 177.001 176.600 0.075 0.000 1.008 764 E CA 0.090 56.520 56.400 0.050 0.000 0.852 764 E CB -0.070 29.639 29.700 0.015 0.000 0.783 764 E HN 0.487 nan 8.360 nan 0.000 0.505 765 I N 2.022 122.644 120.570 0.086 0.000 2.634 765 I HA 0.002 4.170 4.170 -0.004 0.000 0.284 765 I C 0.652 176.852 176.117 0.138 0.000 1.124 765 I CA -0.018 61.354 61.300 0.119 0.000 1.417 765 I CB 0.479 38.553 38.000 0.123 0.000 1.396 765 I HN -0.042 nan 8.210 nan 0.000 0.571 766 K N 5.767 126.268 120.400 0.169 0.000 2.154 766 K HA 0.278 4.596 4.320 -0.004 0.000 0.264 766 K C 0.139 176.851 176.600 0.186 0.000 1.008 766 K CA -0.690 55.694 56.287 0.161 0.000 0.937 766 K CB 0.727 33.326 32.500 0.164 0.000 1.002 766 K HN 0.399 nan 8.250 nan 0.000 0.469 767 R N 0.538 121.131 120.500 0.155 0.000 2.585 767 R HA -0.041 4.297 4.340 -0.004 0.000 0.275 767 R C 0.928 177.344 176.300 0.193 0.000 1.018 767 R CA 1.080 57.280 56.100 0.167 0.000 1.072 767 R CB -0.013 30.355 30.300 0.113 0.000 0.953 767 R HN 1.046 nan 8.270 nan 0.000 0.419 768 G N 1.585 110.526 108.800 0.234 0.000 2.179 768 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.260 768 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.260 768 G C 0.015 175.160 174.900 0.408 0.000 0.977 768 G CA 0.140 45.358 45.100 0.196 0.000 0.641 768 G HN 0.585 nan 8.290 nan 0.000 0.533 769 Q N -0.331 119.726 119.800 0.428 0.000 2.416 769 Q HA 0.747 5.084 4.340 -0.004 0.000 0.279 769 Q C 0.005 176.165 176.000 0.266 0.000 1.101 769 Q CA -0.185 55.875 55.803 0.428 0.000 0.830 769 Q CB 2.405 31.439 28.738 0.493 0.000 1.402 769 Q HN 0.602 nan 8.270 nan 0.000 0.445 770 T N -2.239 112.351 114.554 0.061 0.000 2.792 770 T HA 0.713 5.061 4.350 -0.004 0.000 0.303 770 T C -1.578 173.045 174.700 -0.128 0.000 1.310 770 T CA -0.720 61.351 62.100 -0.048 0.000 1.007 770 T CB 1.243 70.001 68.868 -0.184 0.000 1.335 770 T HN 0.511 nan 8.240 nan 0.000 0.504 771 F N 1.308 121.115 119.950 -0.239 0.000 2.585 771 F HA 0.720 5.245 4.527 -0.004 0.000 0.319 771 F C -1.048 174.581 175.800 -0.285 0.000 1.165 771 F CA -0.981 56.841 58.000 -0.297 0.000 0.949 771 F CB 1.958 40.838 39.000 -0.201 0.000 1.218 771 F HN 0.900 nan 8.300 nan 0.000 0.453 772 M N 7.318 126.338 119.600 -0.966 0.000 2.383 772 M HA 0.472 4.950 4.480 -0.004 0.000 0.325 772 M C -1.462 174.195 176.300 -1.071 0.000 1.092 772 M CA -1.283 53.524 55.300 -0.822 0.000 0.961 772 M CB 1.498 33.788 32.600 -0.516 0.000 1.672 772 M HN 0.762 nan 8.290 nan 0.000 0.438 773 L N 5.745 126.373 121.223 -0.992 0.000 2.540 773 L HA 0.204 4.542 4.340 -0.004 0.000 0.276 773 L C -0.919 175.681 176.870 -0.450 0.000 1.212 773 L CA 0.564 54.948 54.840 -0.760 0.000 0.893 773 L CB 0.026 41.541 42.059 -0.907 0.000 1.138 773 L HN 0.598 nan 8.230 nan 0.000 0.491 774 F N 4.352 124.045 119.950 -0.429 0.000 2.380 774 F HA 0.657 5.182 4.527 -0.004 0.000 0.321 774 F C 1.213 176.917 175.800 -0.159 0.000 1.103 774 F CA -1.097 56.733 58.000 -0.283 0.000 1.067 774 F CB 0.485 39.334 39.000 -0.250 0.000 1.265 774 F HN 0.796 nan 8.300 nan 0.000 0.517 775 G N 1.033 109.438 108.800 -0.658 0.000 2.233 775 G HA2 -0.365 3.593 3.960 -0.004 0.000 0.270 775 G HA3 -0.365 3.593 3.960 -0.004 0.000 0.270 775 G C -0.152 174.502 174.900 -0.410 0.000 1.011 775 G CA 0.559 45.242 45.100 -0.694 0.000 0.762 775 G HN 1.020 nan 8.290 nan 0.000 0.511 776 Y N -0.647 119.397 120.300 -0.426 0.000 2.295 776 Y HA 0.310 4.858 4.550 -0.004 0.000 0.331 776 Y C 1.916 177.703 175.900 -0.189 0.000 1.311 776 Y CA -0.174 57.745 58.100 -0.302 0.000 1.430 776 Y CB 1.100 39.406 38.460 -0.257 0.000 1.339 776 Y HN 0.323 nan 8.280 nan 0.000 0.552 777 V N -0.187 119.286 119.914 -0.735 0.000 3.306 777 V HA 0.065 4.183 4.120 -0.004 0.000 0.264 777 V C -0.058 175.830 176.094 -0.343 0.000 1.149 777 V CA 0.971 62.957 62.300 -0.522 0.000 1.143 777 V CB -0.491 30.958 31.823 -0.623 0.000 0.767 777 V HN 0.704 nan 8.190 nan 0.000 0.476 778 N N 1.400 119.953 118.700 -0.245 0.000 2.648 778 N HA 0.503 5.241 4.740 -0.004 0.000 0.261 778 N C -0.118 175.485 175.510 0.155 0.000 1.138 778 N CA 0.479 53.531 53.050 0.002 0.000 0.804 778 N CB 0.759 39.276 38.487 0.050 0.000 1.237 778 N HN 0.731 nan 8.380 nan 0.000 0.532 779 G N 3.050 111.918 108.800 0.113 0.000 2.780 779 G HA2 -0.136 3.822 3.960 -0.004 0.000 0.364 779 G HA3 -0.136 3.822 3.960 -0.004 0.000 0.364 779 G C -0.512 174.426 174.900 0.063 0.000 1.045 779 G CA -0.650 44.532 45.100 0.137 0.000 1.202 779 G HN 0.512 nan 8.290 nan 0.000 0.534 780 I N 2.596 123.182 120.570 0.028 0.000 2.379 780 I HA 0.105 4.273 4.170 -0.004 0.000 0.290 780 I C 1.718 177.813 176.117 -0.037 0.000 1.063 780 I CA -0.520 60.770 61.300 -0.016 0.000 1.351 780 I CB 1.582 39.572 38.000 -0.018 0.000 1.410 780 I HN 0.543 nan 8.210 nan 0.000 0.505 781 Q N 5.335 125.093 119.800 -0.069 0.000 2.119 781 Q HA -0.126 4.212 4.340 -0.004 0.000 0.201 781 Q C 1.975 177.943 176.000 -0.054 0.000 0.972 781 Q CA 1.876 57.622 55.803 -0.095 0.000 0.847 781 Q CB -0.017 28.636 28.738 -0.141 0.000 0.903 781 Q HN 0.945 nan 8.270 nan 0.000 0.433 782 G N 0.668 109.466 108.800 -0.003 0.000 2.501 782 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.220 782 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.220 782 G C 0.795 175.710 174.900 0.024 0.000 1.114 782 G CA 0.944 46.068 45.100 0.039 0.000 0.757 782 G HN 0.386 nan 8.290 nan 0.000 0.559 783 D N -0.090 120.312 120.400 0.003 0.000 2.263 783 D HA -0.098 4.540 4.640 -0.004 0.000 0.208 783 D C 2.606 178.928 176.300 0.036 0.000 0.971 783 D CA 1.285 55.294 54.000 0.015 0.000 0.867 783 D CB -0.036 40.760 40.800 -0.007 0.000 0.929 783 D HN 0.427 nan 8.370 nan 0.000 0.492 784 V N -2.032 117.879 119.914 -0.005 0.000 3.542 784 V HA 0.211 4.328 4.120 -0.004 0.000 0.296 784 V C 0.689 176.761 176.094 -0.036 0.000 1.364 784 V CA 0.015 62.314 62.300 -0.002 0.000 1.118 784 V CB -0.722 31.056 31.823 -0.076 0.000 0.972 784 V HN 0.038 nan 8.190 nan 0.000 0.430 785 T N 0.093 114.611 114.554 -0.060 0.000 2.904 785 T HA 0.512 4.860 4.350 -0.004 0.000 0.290 785 T C 0.471 174.965 174.700 -0.343 0.000 1.018 785 T CA 0.474 62.487 62.100 -0.145 0.000 1.075 785 T CB 1.378 70.216 68.868 -0.050 0.000 0.986 785 T HN 0.703 nan 8.240 nan 0.000 0.523 786 T N -0.952 113.268 114.554 -0.557 0.000 2.849 786 T HA 0.290 4.637 4.350 -0.004 0.000 0.276 786 T C 0.686 175.104 174.700 -0.470 0.000 0.971 786 T CA -0.299 61.111 62.100 -1.151 0.000 0.949 786 T CB 0.730 69.009 68.868 -0.982 0.000 1.093 786 T HN 0.718 nan 8.240 nan 0.000 0.545 787 D N -1.713 118.528 120.400 -0.266 0.000 2.328 787 D HA 0.005 4.643 4.640 -0.004 0.000 0.226 787 D C 0.001 176.412 176.300 0.186 0.000 1.066 787 D CA -0.602 53.469 54.000 0.118 0.000 0.861 787 D CB -0.619 40.341 40.800 0.267 0.000 0.912 787 D HN 0.635 nan 8.370 nan 0.000 0.521 788 W N 2.688 123.972 121.300 -0.027 0.000 2.253 788 W HA 0.327 4.985 4.660 -0.004 0.000 0.322 788 W C 0.137 176.662 176.519 0.009 0.000 1.342 788 W CA 0.358 57.728 57.345 0.042 0.000 1.218 788 W CB 0.798 30.302 29.460 0.073 0.000 1.205 788 W HN -0.039 nan 8.180 nan 0.000 0.551 789 T N 2.459 116.487 114.554 -0.877 0.000 2.883 789 T HA 0.366 4.714 4.350 -0.004 0.000 0.296 789 T C -0.233 173.548 174.700 -1.531 0.000 1.117 789 T CA -1.009 60.567 62.100 -0.873 0.000 1.006 789 T CB 1.695 70.216 68.868 -0.579 0.000 1.191 789 T HN 0.504 nan 8.240 nan 0.000 0.508 790 D N 0.403 120.308 120.400 -0.825 0.000 2.376 790 D HA 0.129 4.767 4.640 -0.004 0.000 0.268 790 D C 1.604 177.691 176.300 -0.355 0.000 1.252 790 D CA -0.728 52.959 54.000 -0.522 0.000 1.041 790 D CB 0.411 41.197 40.800 -0.023 0.000 1.109 790 D HN 0.820 nan 8.370 nan 0.000 0.552 791 R N -1.039 119.338 120.500 -0.204 0.000 2.241 791 R HA -0.080 4.258 4.340 -0.004 0.000 0.224 791 R C -0.083 176.082 176.300 -0.225 0.000 1.101 791 R CA 1.217 57.185 56.100 -0.220 0.000 0.995 791 R CB -0.322 29.822 30.300 -0.260 0.000 0.870 791 R HN 0.285 nan 8.270 nan 0.000 0.463 792 D N 0.887 121.172 120.400 -0.191 0.000 2.462 792 D HA 0.239 4.877 4.640 -0.004 0.000 0.221 792 D C 0.203 176.433 176.300 -0.116 0.000 1.173 792 D CA -0.090 53.811 54.000 -0.164 0.000 0.831 792 D CB 0.422 41.132 40.800 -0.150 0.000 1.001 792 D HN 0.262 nan 8.370 nan 0.000 0.499 793 I N 0.836 121.289 120.570 -0.195 0.000 6.063 793 I HA -0.248 3.920 4.170 -0.004 0.000 0.126 793 I C -0.593 175.387 176.117 -0.228 0.000 1.820 793 I CA 0.225 61.353 61.300 -0.287 0.000 2.040 793 I CB -1.198 36.628 38.000 -0.290 0.000 3.431 793 I HN 0.070 nan 8.210 nan 0.000 0.170 794 I N 2.976 123.479 120.570 -0.111 0.000 2.304 794 I HA 0.362 4.530 4.170 -0.004 0.000 0.291 794 I C -1.833 174.275 176.117 -0.015 0.000 1.018 794 I CA -1.967 59.366 61.300 0.055 0.000 1.260 794 I CB 0.769 38.922 38.000 0.255 0.000 1.390 794 I HN -0.158 nan 8.210 nan 0.000 0.475 795 P HA 0.047 nan 4.420 nan 0.000 0.275 795 P C -0.567 176.804 177.300 0.119 0.000 1.228 795 P CA -0.036 62.907 63.100 -0.263 0.000 0.786 795 P CB 0.343 31.435 31.700 -1.014 0.000 0.927 796 Y N 2.591 122.997 120.300 0.177 0.000 2.736 796 Y HA 0.120 4.668 4.550 -0.004 0.000 0.339 796 Y C 0.400 176.413 175.900 0.188 0.000 1.301 796 Y CA -0.550 57.745 58.100 0.325 0.000 1.676 796 Y CB -0.394 38.314 38.460 0.414 0.000 1.725 796 Y HN 0.397 nan 8.280 nan 0.000 0.466 797 Y N 0.967 121.416 120.300 0.247 0.000 2.333 797 Y HA -0.210 4.338 4.550 -0.004 0.000 0.290 797 Y C 1.701 177.622 175.900 0.036 0.000 1.144 797 Y CA 0.880 58.980 58.100 0.001 0.000 1.228 797 Y CB 0.176 38.503 38.460 -0.222 0.000 0.985 797 Y HN 0.279 nan 8.280 nan 0.000 0.542 798 K N 0.073 120.722 120.400 0.414 0.000 2.458 798 K HA 0.184 4.502 4.320 -0.004 0.000 0.194 798 K C 0.503 177.178 176.600 0.126 0.000 1.024 798 K CA 0.353 56.836 56.287 0.326 0.000 1.108 798 K CB 0.091 32.946 32.500 0.590 0.000 0.846 798 K HN 0.176 nan 8.250 nan 0.000 0.518 799 G N 0.802 109.280 108.800 -0.535 0.000 3.039 799 G HA2 0.348 4.306 3.960 -0.004 0.000 0.329 799 G HA3 0.348 4.306 3.960 -0.004 0.000 0.329 799 G C -0.922 173.747 174.900 -0.384 0.000 1.361 799 G CA -0.136 44.352 45.100 -1.020 0.000 1.088 799 G HN -0.006 nan 8.290 nan 0.000 0.501 800 T N 0.896 115.376 114.554 -0.123 0.000 2.886 800 T HA 0.593 4.941 4.350 -0.004 0.000 0.330 800 T C -1.925 172.793 174.700 0.031 0.000 1.488 800 T CA -0.582 61.548 62.100 0.050 0.000 1.054 800 T CB 1.285 70.094 68.868 -0.097 0.000 1.348 800 T HN 0.402 nan 8.240 nan 0.000 0.489 801 W N 1.651 123.007 121.300 0.092 0.000 2.950 801 W HA 0.661 5.319 4.660 -0.004 0.000 0.340 801 W C 0.193 176.726 176.519 0.022 0.000 1.139 801 W CA -0.819 56.610 57.345 0.141 0.000 1.188 801 W CB 2.271 31.855 29.460 0.208 0.000 1.426 801 W HN 1.123 nan 8.180 nan 0.000 0.531 802 G N 1.170 110.066 108.800 0.160 0.000 2.600 802 G HA2 0.378 4.336 3.960 -0.004 0.000 0.293 802 G HA3 0.378 4.336 3.960 -0.004 0.000 0.293 802 G C -1.871 173.003 174.900 -0.044 0.000 1.408 802 G CA -0.523 44.451 45.100 -0.211 0.000 0.782 802 G HN 0.206 nan 8.290 nan 0.000 0.482 803 D N -0.780 119.366 120.400 -0.422 0.000 2.384 803 D HA 0.721 5.359 4.640 -0.004 0.000 0.250 803 D C -0.258 175.828 176.300 -0.357 0.000 1.029 803 D CA -0.109 53.751 54.000 -0.234 0.000 0.990 803 D CB 2.024 42.632 40.800 -0.319 0.000 1.175 803 D HN 0.272 nan 8.370 nan 0.000 0.532 804 I N 0.705 121.265 120.570 -0.017 0.000 2.533 804 I HA 0.366 4.534 4.170 -0.004 0.000 0.290 804 I C -0.360 175.853 176.117 0.161 0.000 1.056 804 I CA -0.728 60.570 61.300 -0.003 0.000 1.057 804 I CB 2.381 40.242 38.000 -0.233 0.000 1.240 804 I HN 0.007 nan 8.210 nan 0.000 0.423 805 R N 5.687 126.308 120.500 0.201 0.000 2.575 805 R HA 0.390 4.728 4.340 -0.004 0.000 0.293 805 R C -0.982 175.399 176.300 0.135 0.000 0.983 805 R CA -0.831 55.392 56.100 0.204 0.000 0.887 805 R CB 2.039 32.494 30.300 0.259 0.000 1.184 805 R HN 0.568 nan 8.270 nan 0.000 0.445 806 K N 3.320 123.784 120.400 0.108 0.000 2.379 806 K HA 0.089 4.407 4.320 -0.004 0.000 0.284 806 K C 0.156 176.812 176.600 0.094 0.000 1.044 806 K CA -0.221 56.117 56.287 0.085 0.000 0.974 806 K CB 1.192 33.729 32.500 0.062 0.000 0.962 806 K HN 0.467 nan 8.250 nan 0.000 0.474 807 V N 3.104 123.081 119.914 0.106 0.000 2.436 807 V HA 0.237 4.355 4.120 -0.004 0.000 0.240 807 V C 0.980 177.097 176.094 0.039 0.000 1.040 807 V CA 1.242 63.599 62.300 0.095 0.000 1.052 807 V CB 0.201 32.102 31.823 0.131 0.000 0.707 807 V HN 1.075 nan 8.190 nan 0.000 0.469 808 G N -0.963 107.852 108.800 0.025 0.000 2.324 808 G HA2 0.284 4.242 3.960 -0.004 0.000 0.293 808 G HA3 0.284 4.242 3.960 -0.004 0.000 0.293 808 G C -1.110 173.776 174.900 -0.023 0.000 1.297 808 G CA 0.163 45.261 45.100 -0.005 0.000 0.853 808 G HN 0.112 nan 8.290 nan 0.000 0.535 809 S N -0.452 115.225 115.700 -0.039 0.000 2.439 809 S HA 0.463 4.931 4.470 -0.004 0.000 0.282 809 S C 0.393 174.935 174.600 -0.096 0.000 1.170 809 S CA -0.288 57.881 58.200 -0.053 0.000 1.054 809 S CB 0.273 63.449 63.200 -0.041 0.000 0.956 809 S HN 0.745 nan 8.310 nan 0.000 0.490 810 M N 5.964 125.479 119.600 -0.141 0.000 2.497 810 M HA 0.339 4.817 4.480 -0.004 0.000 0.336 810 M C 1.045 177.232 176.300 -0.189 0.000 1.378 810 M CA 0.281 55.393 55.300 -0.313 0.000 1.375 810 M CB -0.296 31.845 32.600 -0.765 0.000 1.337 810 M HN 0.658 nan 8.290 nan 0.000 0.461 811 S N 2.052 117.680 115.700 -0.120 0.000 2.387 811 S HA -0.190 4.277 4.470 -0.004 0.000 0.230 811 S C 1.567 176.167 174.600 -0.000 0.000 1.035 811 S CA 1.777 59.952 58.200 -0.043 0.000 1.014 811 S CB -0.221 62.956 63.200 -0.038 0.000 0.836 811 S HN 0.834 nan 8.310 nan 0.000 0.466 812 E N 0.638 120.818 120.200 -0.034 0.000 2.150 812 E HA -0.053 4.294 4.350 -0.004 0.000 0.193 812 E C 1.493 178.232 176.600 0.231 0.000 0.985 812 E CA 0.909 57.346 56.400 0.061 0.000 0.814 812 E CB -0.244 29.481 29.700 0.042 0.000 0.752 812 E HN 0.412 nan 8.360 nan 0.000 0.466 813 F N 1.196 121.192 119.950 0.077 0.000 2.146 813 F HA -0.027 4.498 4.527 -0.003 0.000 0.298 813 F C 1.931 177.842 175.800 0.186 0.000 1.096 813 F CA 1.076 59.157 58.000 0.135 0.000 1.275 813 F CB -0.774 38.356 39.000 0.217 0.000 1.008 813 F HN 0.071 nan 8.300 nan 0.000 0.480 814 K N -0.125 120.478 120.400 0.339 0.000 2.147 814 K HA -0.175 4.142 4.320 -0.004 0.000 0.205 814 K C 2.217 178.913 176.600 0.160 0.000 1.049 814 K CA 1.098 57.534 56.287 0.248 0.000 0.936 814 K CB -0.203 32.367 32.500 0.116 0.000 0.722 814 K HN 0.153 nan 8.250 nan 0.000 0.446 815 R N 0.756 121.328 120.500 0.120 0.000 2.153 815 R HA -0.076 4.262 4.340 -0.004 0.000 0.218 815 R C 1.761 178.089 176.300 0.047 0.000 1.072 815 R CA 1.764 57.905 56.100 0.069 0.000 0.990 815 R CB 0.196 30.527 30.300 0.053 0.000 0.889 815 R HN 0.313 nan 8.270 nan 0.000 0.452 816 T N -3.959 110.630 114.554 0.058 0.000 2.959 816 T HA 0.249 4.596 4.350 -0.004 0.000 0.254 816 T C 0.277 174.917 174.700 -0.100 0.000 1.003 816 T CA -0.377 61.721 62.100 -0.004 0.000 0.950 816 T CB 0.616 69.498 68.868 0.022 0.000 1.090 816 T HN -0.144 nan 8.240 nan 0.000 0.503 817 V N 2.532 122.356 119.914 -0.151 0.000 2.427 817 V HA 0.596 4.714 4.120 -0.004 0.000 0.286 817 V C 0.334 176.027 176.094 -0.668 0.000 1.034 817 V CA -0.898 61.129 62.300 -0.457 0.000 0.893 817 V CB 1.436 32.885 31.823 -0.624 0.000 0.982 817 V HN 0.450 nan 8.190 nan 0.000 0.452 818 S N 3.473 118.799 115.700 -0.625 0.000 2.528 818 S HA 0.434 4.901 4.470 -0.004 0.000 0.277 818 S C -0.129 173.934 174.600 -0.894 0.000 1.297 818 S CA -0.213 57.675 58.200 -0.520 0.000 1.052 818 S CB 0.021 63.042 63.200 -0.298 0.000 0.917 818 S HN 0.489 nan 8.310 nan 0.000 0.492 819 F N 3.059 122.806 119.950 -0.338 0.000 2.791 819 F HA 0.402 4.926 4.527 -0.003 0.000 0.308 819 F C 0.932 176.586 175.800 -0.244 0.000 1.138 819 F CA -0.571 57.013 58.000 -0.693 0.000 1.294 819 F CB 0.259 38.883 39.000 -0.627 0.000 0.975 819 F HN 0.381 nan 8.300 nan 0.000 0.512 820 K N -0.033 120.379 120.400 0.019 0.000 2.120 820 K HA 0.251 4.569 4.320 -0.004 0.000 0.245 820 K C 0.725 177.438 176.600 0.188 0.000 1.024 820 K CA -0.417 55.924 56.287 0.091 0.000 0.906 820 K CB 0.710 33.220 32.500 0.017 0.000 1.051 820 K HN -0.031 nan 8.250 nan 0.000 0.491 821 S N 0.429 116.195 115.700 0.110 0.000 2.537 821 S HA 0.016 4.484 4.470 -0.004 0.000 0.286 821 S C 0.650 175.273 174.600 0.038 0.000 1.299 821 S CA -0.151 58.098 58.200 0.082 0.000 1.067 821 S CB 0.272 63.484 63.200 0.019 0.000 0.864 821 S HN 0.437 nan 8.310 nan 0.000 0.494 822 R N 2.607 123.107 120.500 -0.001 0.000 2.334 822 R HA 0.172 4.510 4.340 -0.004 0.000 0.220 822 R C -0.158 176.126 176.300 -0.027 0.000 0.917 822 R CA 0.077 56.164 56.100 -0.021 0.000 1.073 822 R CB 0.201 30.448 30.300 -0.088 0.000 1.056 822 R HN 0.365 nan 8.270 nan 0.000 0.506 823 R N 0.628 121.107 120.500 -0.036 0.000 2.265 823 R HA 0.153 4.491 4.340 -0.004 0.000 0.328 823 R C -1.033 175.262 176.300 -0.010 0.000 0.969 823 R CA -0.533 55.540 56.100 -0.044 0.000 0.832 823 R CB 0.485 30.747 30.300 -0.062 0.000 1.139 823 R HN -0.050 nan 8.270 nan 0.000 0.457 824 F N 2.813 122.664 119.950 -0.164 0.000 2.533 824 F HA 0.408 4.933 4.527 -0.003 0.000 0.378 824 F C 0.790 176.501 175.800 -0.149 0.000 1.070 824 F CA 1.273 59.165 58.000 -0.179 0.000 1.172 824 F CB 0.256 39.095 39.000 -0.268 0.000 1.085 824 F HN 0.601 nan 8.300 nan 0.000 0.552 825 G N 0.000 108.565 108.800 -0.391 0.000 5.446 825 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 825 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 825 G CA 0.000 44.978 45.100 -0.203 0.000 0.502 825 G HN 0.000 nan 8.290 nan 0.000 0.925