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_G 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 0.000 175.507 175.510 -0.005 0.000 1.280 4 N CA 0.000 53.047 53.050 -0.006 0.000 0.885 4 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 5 D N 0.798 121.195 120.400 -0.005 0.000 2.559 5 D HA 0.229 4.869 4.640 -0.000 0.000 0.234 5 D C 0.236 176.532 176.300 -0.006 0.000 1.226 5 D CA -0.089 53.909 54.000 -0.003 0.000 0.830 5 D CB 0.491 41.291 40.800 -0.002 0.000 1.028 5 D HN 0.482 nan 8.370 nan 0.000 0.492 6 R N -1.417 119.076 120.500 -0.012 0.000 2.728 6 R HA 0.633 4.973 4.340 -0.000 0.000 0.274 6 R C -1.806 174.476 176.300 -0.029 0.000 1.030 6 R CA -0.907 55.178 56.100 -0.023 0.000 0.876 6 R CB 0.588 30.873 30.300 -0.025 0.000 1.259 6 R HN -0.027 nan 8.270 nan 0.000 0.468 7 I N 0.763 121.302 120.570 -0.053 0.000 2.730 7 I HA 0.283 4.453 4.170 -0.000 0.000 0.298 7 I C -0.533 175.552 176.117 -0.053 0.000 1.089 7 I CA -1.095 60.176 61.300 -0.048 0.000 1.041 7 I CB 3.000 40.958 38.000 -0.070 0.000 1.235 7 I HN 0.629 nan 8.210 nan 0.000 0.423 8 T N 6.369 120.939 114.554 0.026 0.000 2.729 8 T HA 0.439 4.789 4.350 -0.000 0.000 0.296 8 T C 0.062 174.843 174.700 0.133 0.000 0.928 8 T CA -0.346 61.814 62.100 0.100 0.000 1.045 8 T CB 0.157 69.145 68.868 0.199 0.000 0.902 8 T HN 0.225 nan 8.240 nan 0.000 0.500 9 L N 6.203 127.381 121.223 -0.074 0.000 2.436 9 L HA 0.350 4.690 4.340 -0.000 0.000 0.265 9 L C -1.747 174.809 176.870 -0.524 0.000 1.168 9 L CA -2.212 52.467 54.840 -0.269 0.000 0.815 9 L CB 0.409 42.243 42.059 -0.376 0.000 1.109 9 L HN 0.331 nan 8.230 nan 0.000 0.462 10 P HA 0.223 nan 4.420 nan 0.000 0.280 10 P C -2.628 174.061 177.300 -1.018 0.000 1.244 10 P CA -1.751 60.306 63.100 -1.738 0.000 0.784 10 P CB 0.542 31.425 31.700 -1.360 0.000 0.913 11 P HA -0.015 nan 4.420 nan 0.000 0.270 11 P C 1.010 178.104 177.300 -0.344 0.000 1.223 11 P CA 0.195 63.012 63.100 -0.472 0.000 0.785 11 P CB 0.242 31.743 31.700 -0.331 0.000 0.923 12 A N 2.633 125.325 122.820 -0.214 0.000 1.948 12 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 12 A C 1.438 178.956 177.584 -0.110 0.000 1.177 12 A CA 1.858 53.805 52.037 -0.149 0.000 0.636 12 A CB -1.080 17.862 19.000 -0.096 0.000 0.815 12 A HN 0.555 nan 8.150 nan 0.000 0.449 13 N N 0.090 118.737 118.700 -0.088 0.000 2.313 13 N HA 0.301 5.041 4.740 -0.000 0.000 0.207 13 N C 0.311 175.817 175.510 -0.007 0.000 1.141 13 N CA 0.654 53.683 53.050 -0.036 0.000 0.830 13 N CB -0.139 38.340 38.487 -0.013 0.000 1.008 13 N HN 0.493 nan 8.380 nan 0.000 0.481 14 A N 0.760 123.553 122.820 -0.045 0.000 2.520 14 A HA -0.040 4.279 4.320 -0.000 0.000 0.235 14 A C 0.747 178.411 177.584 0.133 0.000 1.065 14 A CA -0.118 51.950 52.037 0.052 0.000 0.764 14 A CB 0.208 19.167 19.000 -0.069 0.000 1.002 14 A HN 0.387 nan 8.150 nan 0.000 0.502 15 Q N 0.894 120.796 119.800 0.169 0.000 2.337 15 Q HA 0.277 4.617 4.340 -0.000 0.000 0.270 15 Q C -0.105 175.941 176.000 0.077 0.000 1.002 15 Q CA 0.210 56.076 55.803 0.105 0.000 0.888 15 Q CB 0.386 29.182 28.738 0.095 0.000 1.222 15 Q HN 0.686 nan 8.270 nan 0.000 0.400 16 R N 2.272 122.749 120.500 -0.040 0.000 2.575 16 R HA 0.442 4.782 4.340 -0.000 0.000 0.293 16 R C -1.359 174.826 176.300 -0.192 0.000 0.983 16 R CA -0.240 55.711 56.100 -0.249 0.000 0.887 16 R CB 1.706 31.768 30.300 -0.396 0.000 1.184 16 R HN 0.875 nan 8.270 nan 0.000 0.445 17 T N 0.060 114.494 114.554 -0.200 0.000 2.901 17 T HA 0.470 4.820 4.350 -0.000 0.000 0.293 17 T C -0.521 174.152 174.700 -0.046 0.000 1.084 17 T CA -1.112 60.934 62.100 -0.090 0.000 1.008 17 T CB 1.528 70.382 68.868 -0.024 0.000 1.170 17 T HN 0.416 nan 8.240 nan 0.000 0.509 18 N N 1.007 119.708 118.700 0.002 0.000 2.518 18 N HA 0.606 5.346 4.740 -0.000 0.000 0.283 18 N C -0.895 174.606 175.510 -0.014 0.000 1.119 18 N CA -0.525 52.540 53.050 0.025 0.000 0.983 18 N CB 1.369 39.857 38.487 0.001 0.000 1.139 18 N HN 0.741 nan 8.380 nan 0.000 0.465 19 M N 0.748 120.339 119.600 -0.015 0.000 2.271 19 M HA 0.295 4.775 4.480 -0.000 0.000 0.285 19 M C -1.180 175.122 176.300 0.003 0.000 1.059 19 M CA -0.242 55.050 55.300 -0.014 0.000 0.940 19 M CB 1.455 34.035 32.600 -0.033 0.000 1.636 19 M HN 0.301 nan 8.290 nan 0.000 0.460 20 T N 3.301 117.843 114.554 -0.021 0.000 2.897 20 T HA 0.275 4.625 4.350 -0.000 0.000 0.294 20 T C -0.097 174.576 174.700 -0.044 0.000 1.004 20 T CA -0.241 61.859 62.100 0.000 0.000 1.106 20 T CB 0.569 69.421 68.868 -0.028 0.000 0.949 20 T HN 0.906 nan 8.240 nan 0.000 0.520 21 C N 3.648 122.933 119.300 -0.025 0.000 2.550 21 C HA -0.028 4.432 4.460 -0.000 0.000 0.406 21 C C 2.029 176.853 174.990 -0.278 0.000 1.366 21 C CA -0.011 58.862 59.018 -0.242 0.000 1.712 21 C CB -1.109 26.576 27.740 -0.091 0.000 2.613 21 C HN 1.010 nan 8.230 nan 0.000 0.608 22 H N 2.990 121.565 119.070 -0.824 0.000 2.491 22 H HA -0.031 4.525 4.556 0.000 0.000 0.290 22 H C 0.776 175.599 175.328 -0.842 0.000 1.050 22 H CA 1.605 57.095 56.048 -0.931 0.000 1.309 22 H CB 0.192 29.061 29.762 -1.488 0.000 1.392 22 H HN 0.683 nan 8.280 nan 0.000 0.554 23 F N 0.352 120.142 119.950 -0.266 0.000 2.463 23 F HA 0.055 4.582 4.527 -0.000 0.000 0.225 23 F C 1.721 177.291 175.800 -0.384 0.000 1.146 23 F CA -0.885 56.657 58.000 -0.762 0.000 0.956 23 F CB -0.939 37.152 39.000 -1.516 0.000 1.076 23 F HN 0.082 nan 8.300 nan 0.000 0.649 24 C N 1.783 121.026 119.300 -0.095 0.000 2.639 24 C HA 0.246 4.706 4.460 -0.000 0.000 0.360 24 C C 2.164 177.265 174.990 0.185 0.000 1.351 24 C CA -1.014 58.140 59.018 0.228 0.000 2.408 24 C CB -0.057 27.853 27.740 0.282 0.000 2.517 24 C HN 0.689 nan 8.230 nan 0.000 0.696 25 I N 1.941 122.638 120.570 0.211 0.000 2.300 25 I HA -0.163 4.007 4.170 -0.000 0.000 0.252 25 I C 2.088 178.319 176.117 0.190 0.000 1.119 25 I CA 1.942 63.357 61.300 0.191 0.000 1.384 25 I CB -0.372 37.741 38.000 0.188 0.000 1.062 25 I HN 0.706 nan 8.210 nan 0.000 0.426 26 V N 1.489 121.519 119.914 0.194 0.000 2.380 26 V HA -0.177 3.943 4.120 -0.000 0.000 0.251 26 V C 1.944 178.158 176.094 0.200 0.000 1.063 26 V CA 1.528 63.968 62.300 0.234 0.000 1.055 26 V CB -1.873 30.055 31.823 0.175 0.000 0.657 26 V HN 0.794 nan 8.190 nan 0.000 0.455 27 G N -0.890 107.992 108.800 0.136 0.000 2.198 27 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 27 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 27 G C 0.145 175.104 174.900 0.099 0.000 1.042 27 G CA -0.012 45.145 45.100 0.094 0.000 0.791 27 G HN 0.544 nan 8.290 nan 0.000 0.502 28 C N 0.354 119.734 119.300 0.134 0.000 2.597 28 C HA 0.479 4.939 4.460 -0.000 0.000 0.412 28 C C 1.688 176.754 174.990 0.128 0.000 1.348 28 C CA 0.385 59.472 59.018 0.115 0.000 1.769 28 C CB -0.010 27.816 27.740 0.144 0.000 2.641 28 C HN 0.998 nan 8.230 nan 0.000 0.612 29 G N 2.038 110.830 108.800 -0.013 0.000 2.372 29 G HA2 0.523 4.483 3.960 -0.000 0.000 0.283 29 G HA3 0.523 4.483 3.960 -0.000 0.000 0.283 29 G C -1.159 173.616 174.900 -0.208 0.000 1.177 29 G CA -0.033 45.030 45.100 -0.061 0.000 0.842 29 G HN 0.744 nan 8.290 nan 0.000 0.503 30 Y N -0.408 119.754 120.300 -0.229 0.000 2.634 30 Y HA 0.488 5.038 4.550 -0.000 0.000 0.340 30 Y C 0.203 175.908 175.900 -0.325 0.000 1.058 30 Y CA -0.811 57.143 58.100 -0.244 0.000 1.081 30 Y CB 2.456 40.823 38.460 -0.156 0.000 1.295 30 Y HN 0.603 nan 8.280 nan 0.000 0.487 31 H N -0.356 118.715 119.070 0.002 0.000 2.572 31 H HA 0.652 5.208 4.556 -0.000 0.000 0.359 31 H C -1.387 173.768 175.328 -0.288 0.000 1.134 31 H CA -1.095 54.822 56.048 -0.219 0.000 1.187 31 H CB 1.970 31.511 29.762 -0.368 0.000 1.597 31 H HN 0.232 nan 8.280 nan 0.000 0.524 32 V N 3.920 123.664 119.914 -0.283 0.000 2.357 32 V HA 0.160 4.280 4.120 -0.000 0.000 0.284 32 V C -0.948 174.888 176.094 -0.430 0.000 1.018 32 V CA -0.733 61.320 62.300 -0.411 0.000 0.841 32 V CB 0.291 31.655 31.823 -0.764 0.000 0.991 32 V HN 0.631 nan 8.190 nan 0.000 0.437 33 Y N 3.627 123.913 120.300 -0.024 0.000 2.320 33 Y HA 0.596 5.146 4.550 0.000 0.000 0.334 33 Y C 0.341 176.399 175.900 0.264 0.000 1.055 33 Y CA -0.394 57.780 58.100 0.123 0.000 1.143 33 Y CB 1.423 39.985 38.460 0.168 0.000 1.193 33 Y HN 0.484 nan 8.280 nan 0.000 0.477 34 K N 4.566 125.235 120.400 0.449 0.000 2.482 34 K HA 0.527 4.847 4.320 -0.000 0.000 0.251 34 K C -1.967 174.975 176.600 0.569 0.000 0.936 34 K CA -0.595 55.907 56.287 0.359 0.000 0.791 34 K CB 1.760 34.342 32.500 0.137 0.000 1.213 34 K HN 0.823 nan 8.250 nan 0.000 0.428 35 W N 1.639 123.075 121.300 0.228 0.000 3.066 35 W HA 0.476 5.136 4.660 -0.000 0.000 0.330 35 W C -3.151 173.546 176.519 0.296 0.000 1.253 35 W CA -2.201 55.290 57.345 0.244 0.000 1.187 35 W CB -0.083 29.451 29.460 0.123 0.000 1.434 35 W HN 0.321 nan 8.180 nan 0.000 0.572 36 P HA -0.087 nan 4.420 nan 0.000 0.265 36 P C 0.911 178.097 177.300 -0.190 0.000 1.187 36 P CA 0.532 63.594 63.100 -0.063 0.000 0.766 36 P CB 0.872 32.587 31.700 0.024 0.000 0.820 37 E N 2.753 122.766 120.200 -0.311 0.000 2.114 37 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 37 E C 0.897 177.424 176.600 -0.120 0.000 1.008 37 E CA 1.292 57.537 56.400 -0.258 0.000 0.810 37 E CB -0.240 29.327 29.700 -0.222 0.000 0.739 37 E HN 0.426 nan 8.360 nan 0.000 0.456 38 L N 0.778 121.962 121.223 -0.064 0.000 2.627 38 L HA 0.177 4.517 4.340 -0.000 0.000 0.232 38 L C 0.398 177.307 176.870 0.066 0.000 1.150 38 L CA 0.039 54.877 54.840 -0.003 0.000 0.917 38 L CB -0.082 41.965 42.059 -0.019 0.000 1.104 38 L HN 0.053 nan 8.230 nan 0.000 0.445 39 E N 0.761 121.056 120.200 0.159 0.000 2.281 39 E HA 0.513 4.863 4.350 -0.000 0.000 0.262 39 E C -0.578 176.238 176.600 0.359 0.000 0.933 39 E CA -0.621 55.915 56.400 0.227 0.000 0.809 39 E CB 2.047 31.914 29.700 0.278 0.000 1.242 39 E HN 0.167 nan 8.360 nan 0.000 0.418 40 E N -0.353 119.946 120.200 0.166 0.000 2.401 40 E HA 0.497 4.847 4.350 -0.000 0.000 0.280 40 E C -0.894 175.639 176.600 -0.112 0.000 1.039 40 E CA -1.117 55.332 56.400 0.081 0.000 0.814 40 E CB 1.003 30.766 29.700 0.106 0.000 1.275 40 E HN 0.507 nan 8.360 nan 0.000 0.448 41 G N 0.160 108.813 108.800 -0.245 0.000 2.528 41 G HA2 0.561 4.521 3.960 -0.000 0.000 0.289 41 G HA3 0.561 4.521 3.960 -0.000 0.000 0.289 41 G C 0.086 174.900 174.900 -0.144 0.000 1.192 41 G CA -0.306 44.657 45.100 -0.229 0.000 0.921 41 G HN 0.567 nan 8.290 nan 0.000 0.512 42 G N -1.188 107.549 108.800 -0.105 0.000 2.477 42 G HA2 0.395 4.355 3.960 -0.000 0.000 0.304 42 G HA3 0.395 4.355 3.960 -0.000 0.000 0.304 42 G C 0.758 175.639 174.900 -0.032 0.000 1.175 42 G CA -0.657 44.407 45.100 -0.061 0.000 0.907 42 G HN 0.551 nan 8.290 nan 0.000 0.509 43 R N 0.187 120.690 120.500 0.004 0.000 2.148 43 R HA 0.064 4.404 4.340 -0.000 0.000 0.223 43 R C 1.593 177.966 176.300 0.121 0.000 1.088 43 R CA 0.695 56.852 56.100 0.096 0.000 0.985 43 R CB -0.135 30.221 30.300 0.095 0.000 0.880 43 R HN 0.524 nan 8.270 nan 0.000 0.451 44 A N 2.374 125.222 122.820 0.047 0.000 2.498 44 A HA 0.104 4.424 4.320 -0.000 0.000 0.239 44 A C -1.448 176.147 177.584 0.019 0.000 1.068 44 A CA -1.156 50.895 52.037 0.023 0.000 0.766 44 A CB 0.147 19.147 19.000 0.000 0.000 1.003 44 A HN 0.020 nan 8.150 nan 0.000 0.497 45 P HA -0.185 nan 4.420 nan 0.000 0.216 45 P C 0.652 177.935 177.300 -0.028 0.000 1.150 45 P CA 1.327 64.415 63.100 -0.020 0.000 0.843 45 P CB 0.209 31.879 31.700 -0.049 0.000 0.787 46 E N -0.419 119.763 120.200 -0.029 0.000 2.502 46 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 46 E C 1.578 178.153 176.600 -0.043 0.000 1.062 46 E CA 0.475 56.854 56.400 -0.036 0.000 0.867 46 E CB -0.100 29.582 29.700 -0.030 0.000 0.888 46 E HN 0.546 nan 8.360 nan 0.000 0.510 47 Q N 0.736 120.511 119.800 -0.042 0.000 2.247 47 Q HA 0.079 4.419 4.340 -0.000 0.000 0.204 47 Q C -0.281 175.662 176.000 -0.095 0.000 0.872 47 Q CA -0.117 55.651 55.803 -0.059 0.000 0.951 47 Q CB 0.148 28.860 28.738 -0.044 0.000 1.099 47 Q HN 0.205 nan 8.270 nan 0.000 0.501 48 N N -2.582 116.057 118.700 -0.102 0.000 2.284 48 N HA 0.418 5.158 4.740 -0.000 0.000 0.289 48 N C -0.015 175.373 175.510 -0.204 0.000 1.179 48 N CA -0.378 52.565 53.050 -0.178 0.000 0.774 48 N CB 1.047 39.453 38.487 -0.135 0.000 1.548 48 N HN -0.135 nan 8.380 nan 0.000 0.473 49 A N 0.777 123.390 122.820 -0.346 0.000 2.070 49 A HA 0.001 4.321 4.320 -0.000 0.000 0.220 49 A C 1.542 178.941 177.584 -0.309 0.000 1.159 49 A CA 0.813 52.634 52.037 -0.360 0.000 0.656 49 A CB -0.859 17.775 19.000 -0.610 0.000 0.800 49 A HN 0.699 nan 8.150 nan 0.000 0.453 50 L N -1.425 119.626 121.223 -0.286 0.000 2.313 50 L HA 0.075 4.415 4.340 -0.000 0.000 0.214 50 L C 1.857 178.697 176.870 -0.049 0.000 1.119 50 L CA 0.629 55.394 54.840 -0.125 0.000 0.809 50 L CB -0.590 41.464 42.059 -0.008 0.000 0.933 50 L HN 0.568 nan 8.230 nan 0.000 0.449 51 G N 0.870 109.637 108.800 -0.056 0.000 2.153 51 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.252 51 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.252 51 G C 0.099 174.958 174.900 -0.069 0.000 0.994 51 G CA 0.065 45.135 45.100 -0.049 0.000 0.698 51 G HN 0.252 nan 8.290 nan 0.000 0.521 52 L N 0.121 121.295 121.223 -0.083 0.000 2.322 52 L HA 0.490 4.830 4.340 -0.000 0.000 0.279 52 L C -0.083 176.605 176.870 -0.303 0.000 1.036 52 L CA -1.031 53.652 54.840 -0.262 0.000 0.807 52 L CB 1.452 43.228 42.059 -0.470 0.000 1.226 52 L HN 0.032 nan 8.230 nan 0.000 0.433 53 D N 1.825 122.025 120.400 -0.333 0.000 2.422 53 D HA 0.141 4.781 4.640 -0.000 0.000 0.227 53 D C 0.116 176.250 176.300 -0.276 0.000 1.190 53 D CA -0.061 53.815 54.000 -0.207 0.000 0.905 53 D CB 0.437 41.158 40.800 -0.131 0.000 1.034 53 D HN 0.223 nan 8.370 nan 0.000 0.507 54 F N 2.010 121.934 119.950 -0.042 0.000 2.664 54 F HA 0.225 4.752 4.527 0.000 0.000 0.301 54 F C 2.043 177.826 175.800 -0.029 0.000 1.126 54 F CA -0.174 57.805 58.000 -0.036 0.000 1.373 54 F CB 0.213 39.188 39.000 -0.041 0.000 1.042 54 F HN 0.207 nan 8.300 nan 0.000 0.535 55 R N 0.946 121.502 120.500 0.093 0.000 2.240 55 R HA 0.039 4.379 4.340 -0.000 0.000 0.203 55 R C 0.345 176.664 176.300 0.031 0.000 1.011 55 R CA 0.598 56.730 56.100 0.054 0.000 1.007 55 R CB 0.010 30.325 30.300 0.025 0.000 0.911 55 R HN 0.268 nan 8.270 nan 0.000 0.468 56 K N -0.485 119.923 120.400 0.013 0.000 2.533 56 K HA 0.211 4.531 4.320 -0.000 0.000 0.272 56 K C -1.194 175.399 176.600 -0.013 0.000 0.985 56 K CA -1.112 55.175 56.287 -0.000 0.000 0.876 56 K CB 1.197 33.687 32.500 -0.016 0.000 1.452 56 K HN -0.359 nan 8.250 nan 0.000 0.439 57 Q N 1.573 121.369 119.800 -0.006 0.000 2.310 57 Q HA 0.033 4.373 4.340 -0.000 0.000 0.315 57 Q C -1.022 174.946 176.000 -0.052 0.000 1.081 57 Q CA 0.595 56.391 55.803 -0.012 0.000 0.981 57 Q CB 0.302 29.036 28.738 -0.006 0.000 1.184 57 Q HN 0.590 nan 8.270 nan 0.000 0.389 58 L N 6.881 128.060 121.223 -0.074 0.000 2.375 58 L HA 0.488 4.828 4.340 -0.000 0.000 0.271 58 L C -1.641 175.185 176.870 -0.072 0.000 1.107 58 L CA -2.024 52.745 54.840 -0.119 0.000 0.806 58 L CB 0.856 42.807 42.059 -0.180 0.000 1.146 58 L HN 0.776 nan 8.230 nan 0.000 0.447 59 P HA 0.227 nan 4.420 nan 0.000 0.274 59 P C -2.653 174.621 177.300 -0.042 0.000 1.246 59 P CA -1.358 61.713 63.100 -0.049 0.000 0.795 59 P CB -0.296 31.375 31.700 -0.049 0.000 1.006 60 P HA 0.052 nan 4.420 nan 0.000 0.268 60 P C 0.690 177.973 177.300 -0.027 0.000 1.208 60 P CA 0.132 63.219 63.100 -0.021 0.000 0.777 60 P CB 0.300 31.992 31.700 -0.013 0.000 0.875 61 L N -1.131 120.078 121.223 -0.024 0.000 4.884 61 L HA -0.326 4.014 4.340 -0.000 0.000 0.430 61 L C 1.586 178.434 176.870 -0.036 0.000 1.087 61 L CA 0.945 55.769 54.840 -0.027 0.000 1.033 61 L CB -2.257 39.785 42.059 -0.028 0.000 2.030 61 L HN 0.457 nan 8.230 nan 0.000 0.762 62 A N -0.762 122.030 122.820 -0.046 0.000 2.067 62 A HA 0.402 4.722 4.320 -0.000 0.000 0.217 62 A C 0.851 178.401 177.584 -0.058 0.000 1.156 62 A CA 1.626 53.624 52.037 -0.064 0.000 0.683 62 A CB 0.431 19.374 19.000 -0.095 0.000 0.808 62 A HN 0.311 nan 8.150 nan 0.000 0.455 63 V N -1.878 118.015 119.914 -0.035 0.000 3.225 63 V HA 0.481 4.601 4.120 -0.000 0.000 0.293 63 V C -1.586 174.515 176.094 0.013 0.000 1.405 63 V CA -0.425 61.871 62.300 -0.006 0.000 1.038 63 V CB 2.323 34.152 31.823 0.010 0.000 1.123 63 V HN 0.075 nan 8.190 nan 0.000 0.447 64 T N 5.954 120.523 114.554 0.026 0.000 2.864 64 T HA 0.728 5.078 4.350 -0.000 0.000 0.310 64 T C -1.160 173.578 174.700 0.063 0.000 1.040 64 T CA -0.130 61.989 62.100 0.031 0.000 0.977 64 T CB 0.761 69.636 68.868 0.011 0.000 0.976 64 T HN 0.803 nan 8.240 nan 0.000 0.459 65 L N 3.953 125.219 121.223 0.070 0.000 2.614 65 L HA 0.713 5.053 4.340 -0.000 0.000 0.264 65 L C -0.508 176.400 176.870 0.063 0.000 0.940 65 L CA -0.048 54.842 54.840 0.083 0.000 0.903 65 L CB 1.842 43.975 42.059 0.123 0.000 1.306 65 L HN 0.726 nan 8.230 nan 0.000 0.410 66 T N 1.406 115.987 114.554 0.046 0.000 2.841 66 T HA 0.640 4.990 4.350 -0.000 0.000 0.296 66 T C -2.547 172.163 174.700 0.016 0.000 1.166 66 T CA -1.638 60.478 62.100 0.027 0.000 1.007 66 T CB 1.831 70.708 68.868 0.015 0.000 1.253 66 T HN 0.311 nan 8.240 nan 0.000 0.511 67 P HA 0.028 nan 4.420 nan 0.000 0.218 67 P C 1.582 178.874 177.300 -0.013 0.000 1.148 67 P CA 1.402 64.501 63.100 -0.002 0.000 0.822 67 P CB -0.245 31.452 31.700 -0.006 0.000 0.784 68 A N -0.985 121.819 122.820 -0.025 0.000 2.125 68 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 68 A C 1.789 179.334 177.584 -0.065 0.000 1.156 68 A CA 1.246 53.248 52.037 -0.057 0.000 0.671 68 A CB -1.208 17.745 19.000 -0.078 0.000 0.794 68 A HN 0.189 nan 8.150 nan 0.000 0.459 69 M N 0.540 120.127 119.600 -0.022 0.000 2.530 69 M HA 0.086 4.566 4.480 -0.000 0.000 0.231 69 M C 0.333 176.645 176.300 0.020 0.000 1.180 69 M CA 0.507 55.807 55.300 -0.001 0.000 0.985 69 M CB -0.240 32.389 32.600 0.048 0.000 1.623 69 M HN 0.457 nan 8.290 nan 0.000 0.475 70 T N -2.405 112.151 114.554 0.004 0.000 2.906 70 T HA 0.689 5.039 4.350 -0.000 0.000 0.295 70 T C -0.643 174.045 174.700 -0.020 0.000 1.075 70 T CA -0.808 61.299 62.100 0.012 0.000 1.005 70 T CB 2.820 71.704 68.868 0.027 0.000 1.136 70 T HN 0.079 nan 8.240 nan 0.000 0.498 71 N N -0.704 117.972 118.700 -0.040 0.000 3.116 71 N HA 0.523 5.263 4.740 -0.000 0.000 0.244 71 N C -2.119 173.337 175.510 -0.089 0.000 1.485 71 N CA -0.495 52.527 53.050 -0.046 0.000 0.884 71 N CB 2.177 40.658 38.487 -0.011 0.000 1.415 71 N HN 0.623 nan 8.380 nan 0.000 0.524 72 V N 1.555 121.422 119.914 -0.078 0.000 2.482 72 V HA 0.437 4.556 4.120 -0.000 0.000 0.295 72 V C 0.011 176.076 176.094 -0.047 0.000 1.026 72 V CA -0.786 61.455 62.300 -0.098 0.000 0.856 72 V CB 1.345 33.101 31.823 -0.113 0.000 1.001 72 V HN 0.490 nan 8.190 nan 0.000 0.424 73 V N 2.215 122.135 119.914 0.009 0.000 2.834 73 V HA 0.812 4.932 4.120 -0.000 0.000 0.313 73 V C 0.014 176.153 176.094 0.076 0.000 1.060 73 V CA -0.293 62.035 62.300 0.047 0.000 0.989 73 V CB 1.870 33.766 31.823 0.120 0.000 1.041 73 V HN 0.745 nan 8.190 nan 0.000 0.459 74 T N 2.822 117.421 114.554 0.074 0.000 2.809 74 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 74 T C -0.400 174.389 174.700 0.148 0.000 0.992 74 T CA -0.355 61.805 62.100 0.100 0.000 0.957 74 T CB 1.148 70.055 68.868 0.065 0.000 0.942 74 T HN 0.851 nan 8.240 nan 0.000 0.439 75 E N 1.210 121.515 120.200 0.175 0.000 2.351 75 E HA 0.198 4.548 4.350 -0.000 0.000 0.255 75 E C 1.092 177.800 176.600 0.181 0.000 1.188 75 E CA -0.369 56.108 56.400 0.127 0.000 0.940 75 E CB 0.685 30.481 29.700 0.159 0.000 1.094 75 E HN 0.712 nan 8.360 nan 0.000 0.474 76 H N 0.263 119.380 119.070 0.078 0.000 2.422 76 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 76 H C 0.858 176.222 175.328 0.059 0.000 1.098 76 H CA 1.116 57.200 56.048 0.059 0.000 1.315 76 H CB 0.309 30.093 29.762 0.037 0.000 1.382 76 H HN 0.404 nan 8.280 nan 0.000 0.523 77 D N -0.746 119.774 120.400 0.199 0.000 2.324 77 D HA 0.041 4.681 4.640 -0.000 0.000 0.235 77 D C 1.630 177.993 176.300 0.105 0.000 1.095 77 D CA 0.647 54.726 54.000 0.132 0.000 0.871 77 D CB -0.207 40.666 40.800 0.120 0.000 0.906 77 D HN 0.422 nan 8.370 nan 0.000 0.522 78 G N -0.593 108.274 108.800 0.113 0.000 2.212 78 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.266 78 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.266 78 G C 0.544 175.470 174.900 0.044 0.000 0.978 78 G CA 0.207 45.352 45.100 0.075 0.000 0.632 78 G HN 0.894 nan 8.290 nan 0.000 0.537 79 A N 0.183 123.040 122.820 0.061 0.000 2.401 79 A HA 0.721 5.041 4.320 -0.000 0.000 0.259 79 A C 0.671 178.191 177.584 -0.107 0.000 1.103 79 A CA 0.135 52.145 52.037 -0.045 0.000 0.789 79 A CB 0.296 19.308 19.000 0.020 0.000 1.035 79 A HN 0.512 nan 8.150 nan 0.000 0.491 80 R N 0.792 121.113 120.500 -0.298 0.000 2.407 80 R HA 0.530 4.870 4.340 -0.000 0.000 0.303 80 R C -1.735 174.234 176.300 -0.551 0.000 0.981 80 R CA -0.092 55.854 56.100 -0.256 0.000 0.905 80 R CB 1.207 31.403 30.300 -0.173 0.000 1.099 80 R HN 0.734 nan 8.270 nan 0.000 0.459 81 Y N 0.559 120.799 120.300 -0.101 0.000 2.406 81 Y HA 0.190 4.740 4.550 0.000 0.000 0.340 81 Y C -0.015 175.690 175.900 -0.326 0.000 0.975 81 Y CA -0.963 57.031 58.100 -0.176 0.000 1.056 81 Y CB 1.755 40.170 38.460 -0.075 0.000 1.210 81 Y HN 0.448 nan 8.280 nan 0.000 0.448 82 D N 4.111 124.186 120.400 -0.541 0.000 2.399 82 D HA 0.327 4.967 4.640 -0.000 0.000 0.241 82 D C -0.223 175.645 176.300 -0.719 0.000 1.133 82 D CA 0.523 54.003 54.000 -0.867 0.000 0.890 82 D CB 1.184 40.840 40.800 -1.906 0.000 1.201 82 D HN 0.590 nan 8.370 nan 0.000 0.432 83 I N -1.854 118.474 120.570 -0.404 0.000 2.828 83 I HA 0.607 4.777 4.170 -0.000 0.000 0.302 83 I C -0.954 175.169 176.117 0.010 0.000 1.101 83 I CA -1.036 60.190 61.300 -0.124 0.000 1.031 83 I CB 2.562 40.547 38.000 -0.024 0.000 1.231 83 I HN 0.182 nan 8.210 nan 0.000 0.427 84 M N 5.589 125.309 119.600 0.200 0.000 2.224 84 M HA 0.588 5.068 4.480 -0.000 0.000 0.281 84 M C -2.208 174.203 176.300 0.185 0.000 1.025 84 M CA -0.546 54.904 55.300 0.250 0.000 0.954 84 M CB 2.132 34.995 32.600 0.438 0.000 1.639 84 M HN 0.540 nan 8.290 nan 0.000 0.461 85 V N 6.136 126.106 119.914 0.093 0.000 2.326 85 V HA 0.620 4.740 4.120 -0.000 0.000 0.281 85 V C -0.483 175.736 176.094 0.209 0.000 1.015 85 V CA -0.593 61.740 62.300 0.055 0.000 0.823 85 V CB 1.150 32.909 31.823 -0.106 0.000 1.009 85 V HN 0.695 nan 8.190 nan 0.000 0.436 86 V N 3.568 123.660 119.914 0.296 0.000 2.962 86 V HA 0.789 4.909 4.120 -0.000 0.000 0.313 86 V C -2.666 173.475 176.094 0.079 0.000 1.099 86 V CA -2.725 59.730 62.300 0.258 0.000 0.971 86 V CB 2.419 34.376 31.823 0.224 0.000 1.028 86 V HN 0.563 nan 8.190 nan 0.000 0.430 87 P HA 0.139 nan 4.420 nan 0.000 0.272 87 P C -1.018 176.076 177.300 -0.342 0.000 1.223 87 P CA 0.284 62.964 63.100 -0.700 0.000 0.784 87 P CB 0.753 32.050 31.700 -0.673 0.000 0.923 88 D N 1.822 121.965 120.400 -0.427 0.000 2.347 88 D HA 0.076 4.716 4.640 -0.000 0.000 0.235 88 D C 1.061 177.253 176.300 -0.182 0.000 1.149 88 D CA -0.239 53.555 54.000 -0.344 0.000 0.850 88 D CB 0.501 40.971 40.800 -0.551 0.000 1.061 88 D HN 0.156 nan 8.370 nan 0.000 0.487 89 K N 2.345 122.697 120.400 -0.080 0.000 2.209 89 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 89 K C 1.349 177.923 176.600 -0.043 0.000 1.048 89 K CA 1.086 57.340 56.287 -0.055 0.000 0.940 89 K CB 0.175 32.663 32.500 -0.021 0.000 0.729 89 K HN 0.403 nan 8.250 nan 0.000 0.451 90 A N 0.527 123.329 122.820 -0.030 0.000 2.275 90 A HA 0.021 4.341 4.320 -0.000 0.000 0.212 90 A C 0.576 178.143 177.584 -0.028 0.000 1.201 90 A CA -0.289 51.738 52.037 -0.016 0.000 0.843 90 A CB -0.195 18.811 19.000 0.011 0.000 0.873 90 A HN 0.378 nan 8.150 nan 0.000 0.492 91 C N 1.302 120.566 119.300 -0.060 0.000 2.576 91 C HA 0.331 4.791 4.460 -0.000 0.000 0.401 91 C C 2.199 177.185 174.990 -0.006 0.000 1.314 91 C CA 0.027 59.014 59.018 -0.050 0.000 1.855 91 C CB -0.575 27.111 27.740 -0.090 0.000 2.537 91 C HN 0.740 nan 8.230 nan 0.000 0.578 92 V N 5.653 125.580 119.914 0.021 0.000 2.720 92 V HA -0.083 4.037 4.120 -0.000 0.000 0.256 92 V C 1.846 178.038 176.094 0.163 0.000 1.082 92 V CA 2.052 64.395 62.300 0.073 0.000 1.101 92 V CB -1.184 30.678 31.823 0.065 0.000 0.693 92 V HN 0.778 nan 8.190 nan 0.000 0.479 93 V N 3.189 123.187 119.914 0.140 0.000 2.237 93 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 93 V C 2.493 178.763 176.094 0.294 0.000 1.046 93 V CA 2.630 65.085 62.300 0.258 0.000 1.007 93 V CB -0.954 30.962 31.823 0.156 0.000 0.638 93 V HN 0.893 nan 8.190 nan 0.000 0.445 94 N N -1.664 117.101 118.700 0.109 0.000 2.197 94 N HA -0.017 4.723 4.740 -0.000 0.000 0.201 94 N C 0.591 176.082 175.510 -0.031 0.000 1.148 94 N CA 0.770 53.842 53.050 0.037 0.000 0.883 94 N CB 0.668 39.142 38.487 -0.023 0.000 1.012 94 N HN 0.338 nan 8.380 nan 0.000 0.507 95 S N 0.033 115.713 115.700 -0.033 0.000 3.549 95 S HA -0.080 4.390 4.470 -0.000 0.000 0.366 95 S C 1.148 175.703 174.600 -0.075 0.000 1.012 95 S CA 1.111 59.279 58.200 -0.052 0.000 1.141 95 S CB -1.883 61.282 63.200 -0.059 0.000 0.910 95 S HN 1.101 nan 8.310 nan 0.000 0.471 96 G N -1.100 107.633 108.800 -0.111 0.000 2.175 96 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 96 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 96 G C 0.011 174.824 174.900 -0.146 0.000 0.982 96 G CA 0.165 45.185 45.100 -0.133 0.000 0.641 96 G HN 0.662 nan 8.290 nan 0.000 0.527 97 L N 0.938 122.086 121.223 -0.124 0.000 2.418 97 L HA 0.646 4.986 4.340 -0.000 0.000 0.265 97 L C 0.693 177.480 176.870 -0.140 0.000 1.143 97 L CA 0.036 54.818 54.840 -0.096 0.000 0.809 97 L CB 1.670 43.699 42.059 -0.049 0.000 1.124 97 L HN 0.231 nan 8.230 nan 0.000 0.456 98 S N 1.004 116.661 115.700 -0.071 0.000 2.594 98 S HA 0.456 4.926 4.470 -0.000 0.000 0.296 98 S C -0.336 174.295 174.600 0.051 0.000 1.124 98 S CA -0.732 57.476 58.200 0.014 0.000 1.011 98 S CB 1.524 64.749 63.200 0.042 0.000 1.016 98 S HN 0.698 nan 8.310 nan 0.000 0.485 99 S N 3.079 118.826 115.700 0.077 0.000 2.624 99 S HA 0.248 4.718 4.470 -0.000 0.000 0.263 99 S C 1.274 175.890 174.600 0.027 0.000 1.287 99 S CA 0.256 58.468 58.200 0.019 0.000 0.990 99 S CB 0.680 63.882 63.200 0.002 0.000 0.950 99 S HN 0.784 nan 8.310 nan 0.000 0.561 100 T N 0.134 114.683 114.554 -0.008 0.000 2.962 100 T HA -0.033 4.317 4.350 -0.000 0.000 0.270 100 T C 1.795 176.483 174.700 -0.019 0.000 1.088 100 T CA 1.327 63.424 62.100 -0.005 0.000 1.127 100 T CB -0.420 68.448 68.868 0.001 0.000 0.883 100 T HN 0.671 nan 8.240 nan 0.000 0.493 101 R N -0.178 120.311 120.500 -0.018 0.000 2.055 101 R HA 0.166 4.506 4.340 -0.000 0.000 0.226 101 R C 2.885 179.190 176.300 0.009 0.000 1.135 101 R CA 1.104 57.156 56.100 -0.081 0.000 0.959 101 R CB -0.732 29.485 30.300 -0.137 0.000 0.854 101 R HN 0.344 nan 8.270 nan 0.000 0.431 102 G N 0.267 109.130 108.800 0.104 0.000 2.443 102 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 102 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 102 G C 1.421 176.280 174.900 -0.070 0.000 1.131 102 G CA 0.670 45.791 45.100 0.034 0.000 0.775 102 G HN 0.442 nan 8.290 nan 0.000 0.547 103 G N 0.574 109.399 108.800 0.041 0.000 2.471 103 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.219 103 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.219 103 G C 1.617 176.461 174.900 -0.093 0.000 1.125 103 G CA 0.539 45.661 45.100 0.037 0.000 0.775 103 G HN 0.474 nan 8.290 nan 0.000 0.548 104 K N -0.288 120.000 120.400 -0.186 0.000 2.487 104 K HA 0.269 4.589 4.320 -0.000 0.000 0.192 104 K C 2.230 178.568 176.600 -0.438 0.000 1.027 104 K CA -0.264 55.776 56.287 -0.412 0.000 1.054 104 K CB -0.039 32.024 32.500 -0.729 0.000 0.824 104 K HN 0.290 nan 8.250 nan 0.000 0.510 105 M N 0.549 119.982 119.600 -0.279 0.000 2.082 105 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 105 M C 2.404 178.575 176.300 -0.214 0.000 1.069 105 M CA 1.923 57.037 55.300 -0.310 0.000 1.102 105 M CB -0.438 31.828 32.600 -0.558 0.000 1.336 105 M HN 0.267 nan 8.290 nan 0.000 0.404 106 A N -0.628 122.090 122.820 -0.170 0.000 1.940 106 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 106 A C 2.220 179.777 177.584 -0.045 0.000 1.176 106 A CA 2.171 54.165 52.037 -0.071 0.000 0.631 106 A CB -0.751 18.220 19.000 -0.049 0.000 0.814 106 A HN 0.483 nan 8.150 nan 0.000 0.446 107 S N -1.388 114.232 115.700 -0.132 0.000 2.423 107 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 107 S C 1.251 175.919 174.600 0.114 0.000 1.014 107 S CA 0.861 59.008 58.200 -0.089 0.000 0.965 107 S CB -0.349 62.712 63.200 -0.231 0.000 0.785 107 S HN 0.669 nan 8.310 nan 0.000 0.495 108 Y N 0.662 120.930 120.300 -0.055 0.000 2.457 108 Y HA 0.371 4.921 4.550 -0.000 0.000 0.263 108 Y C 0.741 176.697 175.900 0.093 0.000 1.164 108 Y CA -0.929 57.099 58.100 -0.119 0.000 1.274 108 Y CB -0.600 37.563 38.460 -0.495 0.000 1.097 108 Y HN 0.188 nan 8.280 nan 0.000 0.523 109 M N -0.375 119.390 119.600 0.275 0.000 2.240 109 M HA -0.016 4.464 4.480 -0.000 0.000 0.333 109 M C -0.036 176.433 176.300 0.281 0.000 1.110 109 M CA -0.781 54.737 55.300 0.364 0.000 1.173 109 M CB -0.229 32.551 32.600 0.300 0.000 1.458 109 M HN 0.246 nan 8.290 nan 0.000 0.458 110 Y N 2.265 122.673 120.300 0.180 0.000 2.526 110 Y HA 0.292 4.842 4.550 0.000 0.000 0.330 110 Y C 0.200 176.146 175.900 0.077 0.000 1.156 110 Y CA -0.002 58.151 58.100 0.089 0.000 1.419 110 Y CB 0.372 38.832 38.460 -0.000 0.000 1.250 110 Y HN 0.729 nan 8.280 nan 0.000 0.540 111 T N 4.535 118.479 114.554 -1.016 0.000 2.894 111 T HA 0.374 4.724 4.350 -0.000 0.000 0.309 111 T C -2.523 171.582 174.700 -0.992 0.000 1.208 111 T CA -1.897 59.685 62.100 -0.863 0.000 1.016 111 T CB 2.125 70.805 68.868 -0.314 0.000 1.192 111 T HN 0.337 nan 8.240 nan 0.000 0.491 112 P HA 0.034 nan 4.420 nan 0.000 0.226 112 P C 1.149 178.380 177.300 -0.115 0.000 1.153 112 P CA 0.936 63.913 63.100 -0.205 0.000 0.777 112 P CB -0.123 31.566 31.700 -0.018 0.000 0.794 113 T N -5.532 108.943 114.554 -0.131 0.000 3.003 113 T HA 0.377 4.727 4.350 -0.000 0.000 0.261 113 T C 1.113 175.778 174.700 -0.058 0.000 1.003 113 T CA 0.079 62.137 62.100 -0.069 0.000 0.917 113 T CB -0.075 68.763 68.868 -0.050 0.000 1.084 113 T HN -0.008 nan 8.240 nan 0.000 0.522 114 G N 0.968 109.717 108.800 -0.085 0.000 2.574 114 G HA2 0.381 4.341 3.960 -0.000 0.000 0.248 114 G HA3 0.381 4.341 3.960 -0.000 0.000 0.248 114 G C 0.138 175.041 174.900 0.005 0.000 1.422 114 G CA -0.319 44.762 45.100 -0.032 0.000 1.051 114 G HN 0.080 nan 8.290 nan 0.000 0.560 115 D N -0.233 120.219 120.400 0.086 0.000 2.263 115 D HA -0.044 4.596 4.640 -0.000 0.000 0.208 115 D C 2.206 178.568 176.300 0.103 0.000 0.971 115 D CA 1.234 55.325 54.000 0.151 0.000 0.867 115 D CB -0.188 40.815 40.800 0.338 0.000 0.929 115 D HN 0.373 nan 8.370 nan 0.000 0.492 116 G N 0.362 109.243 108.800 0.135 0.000 3.233 116 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.227 116 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.227 116 G C 1.324 176.333 174.900 0.181 0.000 1.175 116 G CA -0.217 45.039 45.100 0.261 0.000 0.781 116 G HN 0.175 nan 8.290 nan 0.000 0.542 117 K N 0.839 121.239 120.400 0.001 0.000 2.089 117 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 117 K C 1.352 177.999 176.600 0.078 0.000 1.048 117 K CA 1.377 57.677 56.287 0.023 0.000 0.926 117 K CB 0.097 32.567 32.500 -0.050 0.000 0.714 117 K HN 0.148 nan 8.250 nan 0.000 0.448 118 E N 1.072 121.231 120.200 -0.068 0.000 2.445 118 E HA 0.009 4.359 4.350 -0.000 0.000 0.189 118 E C -0.139 176.537 176.600 0.127 0.000 1.069 118 E CA 0.020 56.400 56.400 -0.033 0.000 0.871 118 E CB 0.100 29.680 29.700 -0.200 0.000 0.991 118 E HN 0.170 nan 8.360 nan 0.000 0.481 119 R N 0.845 121.422 120.500 0.128 0.000 2.583 119 R HA 0.050 4.390 4.340 -0.000 0.000 0.274 119 R C 0.520 176.719 176.300 -0.168 0.000 0.998 119 R CA 0.046 56.051 56.100 -0.159 0.000 1.081 119 R CB 0.200 30.381 30.300 -0.197 0.000 0.940 119 R HN 0.149 nan 8.270 nan 0.000 0.413 120 L N 2.564 123.654 121.223 -0.222 0.000 2.513 120 L HA -0.063 4.277 4.340 -0.000 0.000 0.272 120 L C 1.247 178.000 176.870 -0.195 0.000 1.187 120 L CA 0.590 55.320 54.840 -0.184 0.000 0.895 120 L CB 0.435 42.382 42.059 -0.187 0.000 1.147 120 L HN 0.743 nan 8.230 nan 0.000 0.483 121 S N 0.691 116.297 115.700 -0.156 0.000 2.900 121 S HA 0.621 5.091 4.470 -0.000 0.000 0.253 121 S C -0.012 174.550 174.600 -0.063 0.000 1.029 121 S CA -0.004 58.111 58.200 -0.142 0.000 1.096 121 S CB 0.884 63.966 63.200 -0.197 0.000 1.067 121 S HN 0.707 nan 8.310 nan 0.000 0.610 122 A N 1.141 123.904 122.820 -0.096 0.000 2.608 122 A HA 0.797 5.117 4.320 -0.000 0.000 0.292 122 A C -3.436 173.988 177.584 -0.267 0.000 1.066 122 A CA -1.452 50.508 52.037 -0.128 0.000 0.676 122 A CB 0.259 19.210 19.000 -0.082 0.000 1.277 122 A HN 0.104 nan 8.150 nan 0.000 0.413 123 P HA 0.349 nan 4.420 nan 0.000 0.268 123 P C -0.882 176.297 177.300 -0.202 0.000 1.205 123 P CA 0.049 62.856 63.100 -0.490 0.000 0.771 123 P CB 0.403 31.709 31.700 -0.658 0.000 0.858 124 R N 2.360 122.802 120.500 -0.097 0.000 2.534 124 R HA 0.607 4.947 4.340 -0.000 0.000 0.301 124 R C -0.977 175.523 176.300 0.333 0.000 0.961 124 R CA -0.977 55.186 56.100 0.104 0.000 0.871 124 R CB 1.660 31.948 30.300 -0.021 0.000 1.170 124 R HN 0.403 nan 8.270 nan 0.000 0.446 125 L N 2.441 123.893 121.223 0.381 0.000 2.385 125 L HA 0.394 4.734 4.340 -0.000 0.000 0.273 125 L C -1.320 175.572 176.870 0.036 0.000 0.990 125 L CA -0.773 54.223 54.840 0.259 0.000 0.821 125 L CB 1.579 43.736 42.059 0.164 0.000 1.279 125 L HN 0.541 nan 8.230 nan 0.000 0.412 126 Y N 4.814 124.829 120.300 -0.476 0.000 2.650 126 Y HA 0.544 5.094 4.550 -0.000 0.000 0.343 126 Y C 0.563 176.280 175.900 -0.306 0.000 1.078 126 Y CA -0.520 57.066 58.100 -0.857 0.000 1.356 126 Y CB 0.710 38.422 38.460 -1.246 0.000 1.204 126 Y HN 0.742 nan 8.280 nan 0.000 0.508 127 A N 5.287 127.865 122.820 -0.403 0.000 3.026 127 A HA 0.466 4.786 4.320 -0.000 0.000 0.272 127 A C 1.523 178.947 177.584 -0.267 0.000 1.782 127 A CA 0.612 52.520 52.037 -0.216 0.000 1.451 127 A CB -1.619 17.290 19.000 -0.150 0.000 1.081 127 A HN 1.590 nan 8.150 nan 0.000 0.611 128 A N 1.476 124.208 122.820 -0.147 0.000 2.066 128 A HA -0.337 3.983 4.320 -0.000 0.000 0.231 128 A C 0.982 178.531 177.584 -0.058 0.000 0.465 128 A CA 2.396 54.408 52.037 -0.042 0.000 1.110 128 A CB -1.867 17.109 19.000 -0.040 0.000 1.434 128 A HN 1.402 nan 8.150 nan 0.000 0.706 129 D N -1.086 119.111 120.400 -0.338 0.000 2.602 129 D HA 0.415 5.055 4.640 -0.000 0.000 0.265 129 D C -0.025 175.980 176.300 -0.492 0.000 1.454 129 D CA 0.826 54.678 54.000 -0.247 0.000 0.795 129 D CB -0.412 40.334 40.800 -0.091 0.000 1.140 129 D HN 1.135 nan 8.370 nan 0.000 0.486 130 E N -1.444 118.106 120.200 -1.083 0.000 2.401 130 E HA 0.294 4.644 4.350 -0.000 0.000 0.283 130 E C -1.593 174.492 176.600 -0.859 0.000 1.053 130 E CA -1.063 54.884 56.400 -0.755 0.000 0.842 130 E CB 0.162 29.693 29.700 -0.282 0.000 1.222 130 E HN -0.004 nan 8.360 nan 0.000 0.429 131 W N 2.490 123.625 121.300 -0.275 0.000 2.287 131 W HA 0.466 5.126 4.660 -0.000 0.000 0.313 131 W C 0.024 176.497 176.519 -0.076 0.000 1.267 131 W CA -0.058 57.242 57.345 -0.075 0.000 1.201 131 W CB 1.583 31.087 29.460 0.073 0.000 1.196 131 W HN 0.527 nan 8.180 nan 0.000 0.536 132 V N 0.005 120.051 119.914 0.220 0.000 3.159 132 V HA 0.499 4.619 4.120 -0.000 0.000 0.308 132 V C -0.618 175.555 176.094 0.133 0.000 1.190 132 V CA -1.305 61.066 62.300 0.119 0.000 1.037 132 V CB 1.748 33.587 31.823 0.025 0.000 1.060 132 V HN 0.286 nan 8.190 nan 0.000 0.437 133 D N 1.227 121.669 120.400 0.069 0.000 2.339 133 D HA 0.632 5.272 4.640 -0.000 0.000 0.245 133 D C -0.027 176.293 176.300 0.034 0.000 1.115 133 D CA 0.440 54.461 54.000 0.036 0.000 0.917 133 D CB 1.745 42.550 40.800 0.008 0.000 1.192 133 D HN 0.928 nan 8.370 nan 0.000 0.428 134 T N -1.045 113.518 114.554 0.015 0.000 2.812 134 T HA 0.496 4.846 4.350 -0.000 0.000 0.294 134 T C -0.608 174.096 174.700 0.006 0.000 1.159 134 T CA -0.662 61.467 62.100 0.048 0.000 1.008 134 T CB 1.173 70.144 68.868 0.171 0.000 1.289 134 T HN 0.404 nan 8.240 nan 0.000 0.514 135 T N -0.424 114.168 114.554 0.064 0.000 2.882 135 T HA 0.279 4.629 4.350 -0.000 0.000 0.287 135 T C 0.964 175.710 174.700 0.077 0.000 1.014 135 T CA -0.399 61.748 62.100 0.078 0.000 1.049 135 T CB 0.701 69.639 68.868 0.117 0.000 1.001 135 T HN 0.759 nan 8.240 nan 0.000 0.525 136 W N 0.458 121.775 121.300 0.028 0.000 2.358 136 W HA -0.018 4.642 4.660 -0.000 0.000 0.303 136 W C 2.046 178.573 176.519 0.014 0.000 1.208 136 W CA 1.012 58.362 57.345 0.007 0.000 1.274 136 W CB -0.157 29.299 29.460 -0.006 0.000 1.138 136 W HN 0.750 nan 8.180 nan 0.000 0.515 137 D N -1.911 118.651 120.400 0.271 0.000 2.144 137 D HA -0.235 4.405 4.640 -0.000 0.000 0.199 137 D C 1.882 178.273 176.300 0.151 0.000 0.984 137 D CA 1.532 55.636 54.000 0.173 0.000 0.834 137 D CB -0.793 40.082 40.800 0.124 0.000 0.955 137 D HN 0.352 nan 8.370 nan 0.000 0.465 138 H N 0.361 119.466 119.070 0.058 0.000 2.357 138 H HA 0.013 4.569 4.556 -0.000 0.000 0.301 138 H C 1.881 177.227 175.328 0.029 0.000 1.082 138 H CA 1.339 57.404 56.048 0.027 0.000 1.342 138 H CB 0.295 30.063 29.762 0.011 0.000 1.389 138 H HN 0.059 nan 8.280 nan 0.000 0.511 139 A N 1.435 124.185 122.820 -0.117 0.000 1.908 139 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 139 A C 2.476 180.020 177.584 -0.067 0.000 1.181 139 A CA 1.641 53.571 52.037 -0.177 0.000 0.627 139 A CB -0.457 18.405 19.000 -0.229 0.000 0.818 139 A HN 0.368 nan 8.150 nan 0.000 0.445 140 M N -0.582 119.038 119.600 0.033 0.000 2.175 140 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 140 M C 2.510 178.826 176.300 0.027 0.000 1.063 140 M CA 1.496 56.850 55.300 0.090 0.000 1.119 140 M CB -1.512 31.163 32.600 0.126 0.000 1.377 140 M HN 0.484 nan 8.290 nan 0.000 0.415 141 A N 0.133 122.939 122.820 -0.025 0.000 1.933 141 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 141 A C 2.222 179.738 177.584 -0.114 0.000 1.175 141 A CA 1.307 53.309 52.037 -0.058 0.000 0.628 141 A CB -0.796 18.198 19.000 -0.010 0.000 0.814 141 A HN 0.411 nan 8.150 nan 0.000 0.444 142 L N -1.997 119.114 121.223 -0.187 0.000 2.044 142 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 142 L C 2.278 179.040 176.870 -0.180 0.000 1.075 142 L CA 2.162 56.866 54.840 -0.226 0.000 0.747 142 L CB -0.864 41.005 42.059 -0.317 0.000 0.903 142 L HN 0.488 nan 8.230 nan 0.000 0.435 143 Y N 0.155 120.342 120.300 -0.188 0.000 2.133 143 Y HA -0.135 4.415 4.550 0.000 0.000 0.287 143 Y C 2.421 178.252 175.900 -0.116 0.000 1.134 143 Y CA 1.950 59.980 58.100 -0.117 0.000 1.133 143 Y CB -0.598 37.847 38.460 -0.025 0.000 0.987 143 Y HN 0.231 nan 8.280 nan 0.000 0.502 144 A N 0.003 122.814 122.820 -0.015 0.000 1.933 144 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 144 A C 2.446 179.896 177.584 -0.225 0.000 1.175 144 A CA 1.605 53.561 52.037 -0.136 0.000 0.628 144 A CB -1.698 17.244 19.000 -0.097 0.000 0.814 144 A HN 0.610 nan 8.150 nan 0.000 0.444 145 G N -0.107 108.571 108.800 -0.204 0.000 2.440 145 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 145 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 145 G C 1.541 176.296 174.900 -0.242 0.000 1.154 145 G CA 1.102 46.067 45.100 -0.225 0.000 0.767 145 G HN 0.441 nan 8.290 nan 0.000 0.552 146 L N -0.041 121.014 121.223 -0.280 0.000 2.109 146 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 146 L C 2.808 179.557 176.870 -0.201 0.000 1.086 146 L CA 0.421 55.105 54.840 -0.260 0.000 0.760 146 L CB -0.206 41.607 42.059 -0.409 0.000 0.910 146 L HN 0.205 nan 8.230 nan 0.000 0.437 147 I N -0.185 120.227 120.570 -0.264 0.000 2.233 147 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 147 I C 2.659 178.732 176.117 -0.073 0.000 1.093 147 I CA 1.191 62.389 61.300 -0.171 0.000 1.380 147 I CB -0.225 37.646 38.000 -0.215 0.000 1.067 147 I HN 0.234 nan 8.210 nan 0.000 0.413 148 K N 1.618 121.927 120.400 -0.150 0.000 2.032 148 K HA -0.265 4.055 4.320 -0.000 0.000 0.209 148 K C 2.244 178.777 176.600 -0.112 0.000 1.048 148 K CA 1.734 57.923 56.287 -0.164 0.000 0.927 148 K CB -0.083 32.151 32.500 -0.443 0.000 0.712 148 K HN 0.070 nan 8.250 nan 0.000 0.441 149 K N -0.278 120.020 120.400 -0.170 0.000 2.057 149 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 149 K C 1.817 178.328 176.600 -0.149 0.000 1.049 149 K CA 1.911 58.064 56.287 -0.223 0.000 0.931 149 K CB -0.049 32.248 32.500 -0.338 0.000 0.714 149 K HN 0.195 nan 8.250 nan 0.000 0.440 150 T N 1.718 116.271 114.554 -0.000 0.000 2.777 150 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 150 T C 1.770 176.536 174.700 0.109 0.000 1.040 150 T CA 1.073 63.259 62.100 0.143 0.000 1.141 150 T CB -0.071 68.886 68.868 0.149 0.000 0.868 150 T HN 0.150 nan 8.240 nan 0.000 0.444 151 L N 0.829 122.114 121.223 0.104 0.000 2.046 151 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 151 L C 2.450 179.388 176.870 0.114 0.000 1.077 151 L CA 1.175 56.098 54.840 0.137 0.000 0.747 151 L CB -0.549 41.642 42.059 0.221 0.000 0.896 151 L HN 0.153 nan 8.230 nan 0.000 0.432 152 D N -0.215 120.243 120.400 0.097 0.000 2.144 152 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 152 D C 2.224 178.539 176.300 0.025 0.000 0.978 152 D CA 1.069 55.108 54.000 0.065 0.000 0.833 152 D CB 0.073 40.888 40.800 0.024 0.000 0.961 152 D HN 0.152 nan 8.370 nan 0.000 0.470 153 K N 0.121 120.525 120.400 0.007 0.000 2.214 153 K HA 0.071 4.391 4.320 -0.000 0.000 0.201 153 K C 1.186 177.834 176.600 0.080 0.000 1.049 153 K CA 0.670 56.972 56.287 0.024 0.000 0.978 153 K CB 0.266 32.758 32.500 -0.014 0.000 0.842 153 K HN 0.157 nan 8.250 nan 0.000 0.474 154 D N -0.174 120.294 120.400 0.113 0.000 2.423 154 D HA 0.116 4.756 4.640 -0.000 0.000 0.212 154 D C 0.845 177.200 176.300 0.092 0.000 1.060 154 D CA 0.639 54.709 54.000 0.115 0.000 0.872 154 D CB 1.064 41.954 40.800 0.149 0.000 1.012 154 D HN 0.225 nan 8.370 nan 0.000 0.503 155 G N 1.596 110.449 108.800 0.089 0.000 2.757 155 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.638 155 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.638 155 G C -2.268 172.686 174.900 0.089 0.000 1.344 155 G CA -0.623 44.521 45.100 0.074 0.000 0.855 155 G HN -0.115 nan 8.290 nan 0.000 0.537 156 P HA -0.086 nan 4.420 nan 0.000 0.219 156 P C 1.898 179.248 177.300 0.084 0.000 1.146 156 P CA 1.910 65.060 63.100 0.083 0.000 0.808 156 P CB -0.093 31.633 31.700 0.043 0.000 0.779 157 Q N -0.917 118.925 119.800 0.071 0.000 2.368 157 Q HA -0.072 4.268 4.340 -0.000 0.000 0.210 157 Q C 1.769 177.894 176.000 0.209 0.000 0.982 157 Q CA 1.739 57.592 55.803 0.084 0.000 0.884 157 Q CB -1.306 27.479 28.738 0.079 0.000 0.933 157 Q HN 0.171 nan 8.270 nan 0.000 0.460 158 G N 0.452 109.374 108.800 0.203 0.000 3.042 158 G HA2 0.213 4.173 3.960 -0.000 0.000 0.212 158 G HA3 0.213 4.173 3.960 -0.000 0.000 0.212 158 G C -0.027 175.047 174.900 0.291 0.000 1.166 158 G CA -0.175 45.072 45.100 0.245 0.000 0.767 158 G HN 0.167 nan 8.290 nan 0.000 0.546 159 V N 1.480 121.556 119.914 0.269 0.000 2.328 159 V HA 0.489 4.609 4.120 -0.000 0.000 0.278 159 V C -0.859 175.379 176.094 0.240 0.000 1.021 159 V CA -0.810 61.608 62.300 0.197 0.000 0.838 159 V CB 0.592 32.504 31.823 0.148 0.000 0.999 159 V HN 0.147 nan 8.190 nan 0.000 0.447 160 F N 4.277 124.149 119.950 -0.131 0.000 2.458 160 F HA 0.751 5.278 4.527 -0.000 0.000 0.330 160 F C -0.246 175.386 175.800 -0.280 0.000 1.082 160 F CA -0.625 57.328 58.000 -0.078 0.000 0.995 160 F CB 1.906 40.852 39.000 -0.090 0.000 1.170 160 F HN 0.305 nan 8.300 nan 0.000 0.478 161 F N 0.701 120.733 119.950 0.137 0.000 2.588 161 F HA 0.430 4.957 4.527 -0.000 0.000 0.310 161 F C -0.295 175.526 175.800 0.035 0.000 1.082 161 F CA -0.850 57.200 58.000 0.084 0.000 0.929 161 F CB 2.286 41.366 39.000 0.133 0.000 1.254 161 F HN 0.187 nan 8.300 nan 0.000 0.455 162 S N 2.129 117.928 115.700 0.164 0.000 2.659 162 S HA 0.676 5.146 4.470 -0.000 0.000 0.312 162 S C -1.372 173.420 174.600 0.320 0.000 1.114 162 S CA -0.350 57.965 58.200 0.192 0.000 1.063 162 S CB 0.829 64.090 63.200 0.101 0.000 0.996 162 S HN 0.814 nan 8.310 nan 0.000 0.478 163 C N 6.432 125.895 119.300 0.272 0.000 2.797 163 C HA 0.795 5.255 4.460 -0.000 0.000 0.306 163 C C -0.318 174.713 174.990 0.069 0.000 1.207 163 C CA -1.418 57.670 59.018 0.117 0.000 1.507 163 C CB 0.090 27.684 27.740 -0.245 0.000 2.028 163 C HN 0.931 nan 8.230 nan 0.000 0.475 164 F N 3.412 123.435 119.950 0.122 0.000 2.595 164 F HA 0.351 4.878 4.527 0.000 0.000 0.359 164 F C 0.923 176.727 175.800 0.006 0.000 1.147 164 F CA 0.302 58.276 58.000 -0.045 0.000 1.341 164 F CB 0.420 39.100 39.000 -0.533 0.000 1.104 164 F HN 0.660 nan 8.300 nan 0.000 0.603 165 D N -0.464 120.124 120.400 0.314 0.000 2.540 165 D HA 0.067 4.707 4.640 -0.000 0.000 0.229 165 D C 0.012 176.550 176.300 0.398 0.000 1.250 165 D CA -0.088 54.106 54.000 0.323 0.000 0.817 165 D CB -0.997 40.055 40.800 0.420 0.000 1.060 165 D HN 0.818 nan 8.370 nan 0.000 0.508 166 H N -1.100 118.154 119.070 0.307 0.000 2.580 166 H HA 0.764 5.320 4.556 -0.000 0.000 0.324 166 H C 0.790 176.152 175.328 0.056 0.000 1.436 166 H CA -0.414 55.727 56.048 0.156 0.000 1.464 166 H CB 0.465 30.209 29.762 -0.030 0.000 1.752 166 H HN -0.022 nan 8.280 nan 0.000 0.726 167 G N -2.369 106.604 108.800 0.289 0.000 2.671 167 G HA2 0.514 4.474 3.960 -0.000 0.000 0.275 167 G HA3 0.514 4.474 3.960 -0.000 0.000 0.275 167 G C 0.250 175.261 174.900 0.186 0.000 1.368 167 G CA -0.611 44.539 45.100 0.084 0.000 1.044 167 G HN 1.135 nan 8.290 nan 0.000 0.543 168 G N -1.056 107.763 108.800 0.033 0.000 2.641 168 G HA2 0.300 4.260 3.960 -0.000 0.000 0.254 168 G HA3 0.300 4.260 3.960 -0.000 0.000 0.254 168 G C 0.617 175.491 174.900 -0.043 0.000 1.315 168 G CA 0.303 45.406 45.100 0.005 0.000 0.907 168 G HN 2.060 nan 8.290 nan 0.000 0.572 169 A N -0.253 122.510 122.820 -0.094 0.000 2.546 169 A HA 0.607 4.927 4.320 -0.000 0.000 0.243 169 A C 2.034 179.632 177.584 0.024 0.000 1.063 169 A CA 2.078 54.032 52.037 -0.137 0.000 0.757 169 A CB -0.487 18.389 19.000 -0.207 0.000 0.991 169 A HN 2.919 nan 8.150 nan 0.000 0.503 170 G N 1.113 109.825 108.800 -0.148 0.000 2.147 170 G HA2 0.209 4.169 3.960 -0.000 0.000 0.244 170 G HA3 0.209 4.169 3.960 -0.000 0.000 0.244 170 G C 0.877 175.222 174.900 -0.925 0.000 1.005 170 G CA 0.857 45.741 45.100 -0.361 0.000 0.713 170 G HN 2.403 nan 8.290 nan 0.000 0.515 171 G N -2.065 106.316 108.800 -0.698 0.000 2.677 171 G HA2 0.928 4.888 3.960 -0.000 0.000 0.283 171 G HA3 0.928 4.888 3.960 -0.000 0.000 0.283 171 G C 0.443 175.168 174.900 -0.291 0.000 1.221 171 G CA 1.048 45.732 45.100 -0.693 0.000 0.851 171 G HN 2.398 nan 8.290 nan 0.000 0.504 172 G N -2.123 106.579 108.800 -0.163 0.000 2.619 172 G HA2 0.182 4.142 3.960 -0.000 0.000 0.686 172 G HA3 0.182 4.142 3.960 -0.000 0.000 0.686 172 G C 0.325 175.185 174.900 -0.067 0.000 1.256 172 G CA 0.122 45.114 45.100 -0.180 0.000 0.826 172 G HN 0.971 nan 8.290 nan 0.000 0.619 173 F N 0.525 120.562 119.950 0.144 0.000 2.171 173 F HA -0.026 4.501 4.527 0.000 0.000 0.300 173 F C 2.644 178.596 175.800 0.252 0.000 1.090 173 F CA 2.061 60.202 58.000 0.235 0.000 1.293 173 F CB -0.034 39.129 39.000 0.271 0.000 1.013 173 F HN 0.611 nan 8.300 nan 0.000 0.486 174 E N 0.171 120.597 120.200 0.376 0.000 2.047 174 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 174 E C 1.831 178.571 176.600 0.234 0.000 0.987 174 E CA 1.183 57.747 56.400 0.272 0.000 0.799 174 E CB -0.348 29.463 29.700 0.185 0.000 0.752 174 E HN 0.237 nan 8.360 nan 0.000 0.449 175 N N -0.226 118.585 118.700 0.185 0.000 2.216 175 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 175 N C 1.884 177.547 175.510 0.254 0.000 1.017 175 N CA 1.788 54.960 53.050 0.203 0.000 0.861 175 N CB -0.559 37.961 38.487 0.055 0.000 0.986 175 N HN 0.370 nan 8.380 nan 0.000 0.428 176 T N -2.176 112.525 114.554 0.246 0.000 2.904 176 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 176 T C 1.720 176.400 174.700 -0.033 0.000 1.059 176 T CA 0.425 62.550 62.100 0.041 0.000 1.137 176 T CB -0.516 68.350 68.868 -0.003 0.000 0.879 176 T HN 0.400 nan 8.240 nan 0.000 0.467 177 W N 2.307 123.587 121.300 -0.034 0.000 2.379 177 W HA -0.015 4.645 4.660 -0.000 0.000 0.307 177 W C 2.306 178.859 176.519 0.056 0.000 1.200 177 W CA 1.016 58.350 57.345 -0.019 0.000 1.297 177 W CB -0.663 28.806 29.460 0.016 0.000 1.140 177 W HN 0.397 nan 8.180 nan 0.000 0.507 178 G N 0.671 109.505 108.800 0.057 0.000 2.459 178 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.217 178 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.217 178 G C 1.509 176.376 174.900 -0.055 0.000 1.183 178 G CA 2.569 47.798 45.100 0.214 0.000 0.776 178 G HN 0.379 nan 8.290 nan 0.000 0.552 179 T N -1.126 113.234 114.554 -0.322 0.000 2.821 179 T HA 0.087 4.437 4.350 -0.000 0.000 0.267 179 T C 2.441 176.711 174.700 -0.716 0.000 1.046 179 T CA 1.600 63.285 62.100 -0.692 0.000 1.139 179 T CB -0.576 67.560 68.868 -1.219 0.000 0.871 179 T HN 0.264 nan 8.240 nan 0.000 0.454 180 G N 1.314 109.704 108.800 -0.684 0.000 2.402 180 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 180 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 180 G C 1.581 176.065 174.900 -0.693 0.000 1.162 180 G CA 0.786 45.384 45.100 -0.838 0.000 0.777 180 G HN 0.569 nan 8.290 nan 0.000 0.539 181 K N -0.373 119.601 120.400 -0.710 0.000 2.057 181 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 181 K C 2.400 178.906 176.600 -0.157 0.000 1.049 181 K CA 1.095 57.013 56.287 -0.615 0.000 0.931 181 K CB -0.244 31.658 32.500 -0.996 0.000 0.714 181 K HN 0.244 nan 8.250 nan 0.000 0.440 182 L N 1.215 122.416 121.223 -0.038 0.000 1.994 182 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 182 L C 2.120 178.887 176.870 -0.172 0.000 1.071 182 L CA 1.768 56.590 54.840 -0.030 0.000 0.745 182 L CB -0.330 41.688 42.059 -0.068 0.000 0.892 182 L HN 0.260 nan 8.230 nan 0.000 0.431 183 M N -1.944 117.392 119.600 -0.439 0.000 2.132 183 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 183 M C 2.159 178.380 176.300 -0.132 0.000 1.065 183 M CA 1.924 56.940 55.300 -0.474 0.000 1.122 183 M CB -0.401 31.640 32.600 -0.932 0.000 1.365 183 M HN 0.213 nan 8.290 nan 0.000 0.411 184 F N -1.147 118.654 119.950 -0.247 0.000 2.383 184 F HA 0.053 4.580 4.527 0.000 0.000 0.287 184 F C 2.453 178.132 175.800 -0.202 0.000 1.069 184 F CA -0.010 57.854 58.000 -0.228 0.000 1.402 184 F CB -0.030 38.835 39.000 -0.224 0.000 1.116 184 F HN 0.017 nan 8.300 nan 0.000 0.549 185 S N 0.093 115.785 115.700 -0.013 0.000 2.439 185 S HA 0.108 4.578 4.470 -0.000 0.000 0.224 185 S C 1.891 176.385 174.600 -0.176 0.000 1.029 185 S CA 0.719 58.869 58.200 -0.084 0.000 0.946 185 S CB 0.017 63.152 63.200 -0.107 0.000 0.797 185 S HN 0.308 nan 8.310 nan 0.000 0.504 186 A N 1.473 124.158 122.820 -0.224 0.000 1.919 186 A HA 0.353 4.673 4.320 -0.000 0.000 0.211 186 A C 1.914 179.138 177.584 -0.601 0.000 1.310 186 A CA 0.272 51.961 52.037 -0.580 0.000 0.651 186 A CB -0.621 18.070 19.000 -0.515 0.000 0.996 186 A HN 0.349 nan 8.150 nan 0.000 0.479 187 I N -0.734 119.725 120.570 -0.186 0.000 2.353 187 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 187 I C 0.407 176.530 176.117 0.010 0.000 1.119 187 I CA 1.109 62.447 61.300 0.062 0.000 1.417 187 I CB -0.359 37.785 38.000 0.239 0.000 1.078 187 I HN 0.466 nan 8.210 nan 0.000 0.421 188 Q N 0.708 120.494 119.800 -0.023 0.000 2.478 188 Q HA -0.200 4.140 4.340 -0.000 0.000 0.286 188 Q C 0.279 176.269 176.000 -0.016 0.000 1.299 188 Q CA 0.530 56.312 55.803 -0.034 0.000 0.826 188 Q CB -2.138 26.549 28.738 -0.085 0.000 1.199 188 Q HN 0.475 nan 8.270 nan 0.000 0.451 189 T N 0.325 114.916 114.554 0.061 0.000 2.837 189 T HA 0.427 4.777 4.350 -0.000 0.000 0.285 189 T C -1.660 173.033 174.700 -0.012 0.000 0.984 189 T CA -1.839 60.292 62.100 0.051 0.000 1.049 189 T CB 1.157 70.126 68.868 0.168 0.000 0.947 189 T HN 0.040 nan 8.240 nan 0.000 0.472 190 P HA 0.174 nan 4.420 nan 0.000 0.261 190 P C 0.287 177.627 177.300 0.068 0.000 1.268 190 P CA -0.085 62.872 63.100 -0.238 0.000 0.833 190 P CB 0.274 31.793 31.700 -0.301 0.000 1.231 191 M N 0.961 120.524 119.600 -0.062 0.000 3.690 191 M HA 0.214 4.694 4.480 -0.000 0.000 0.209 191 M C -0.324 175.928 176.300 -0.081 0.000 1.403 191 M CA -0.346 54.764 55.300 -0.318 0.000 1.621 191 M CB -0.501 31.500 32.600 -0.999 0.000 1.056 191 M HN -0.274 nan 8.290 nan 0.000 0.593 192 V N 2.103 122.137 119.914 0.200 0.000 2.588 192 V HA 0.591 4.711 4.120 -0.000 0.000 0.304 192 V C 0.074 176.394 176.094 0.378 0.000 1.042 192 V CA -0.942 61.559 62.300 0.335 0.000 0.877 192 V CB 2.449 34.530 31.823 0.429 0.000 0.996 192 V HN 0.711 nan 8.190 nan 0.000 0.425 193 R N 4.308 125.009 120.500 0.334 0.000 2.923 193 R HA 0.889 5.229 4.340 -0.000 0.000 0.252 193 R C -1.096 175.385 176.300 0.303 0.000 1.130 193 R CA -0.887 55.391 56.100 0.297 0.000 1.043 193 R CB 1.662 32.113 30.300 0.252 0.000 1.205 193 R HN 0.475 nan 8.270 nan 0.000 0.495 194 I N 0.962 121.658 120.570 0.211 0.000 2.863 194 I HA 0.157 4.327 4.170 -0.000 0.000 0.311 194 I C 1.666 177.925 176.117 0.237 0.000 1.026 194 I CA -1.147 60.271 61.300 0.196 0.000 1.077 194 I CB 1.765 39.777 38.000 0.020 0.000 1.262 194 I HN 0.871 nan 8.210 nan 0.000 0.461 195 H N 2.902 122.151 119.070 0.298 0.000 2.390 195 H HA -0.163 4.393 4.556 -0.000 0.000 0.298 195 H C 0.767 176.310 175.328 0.358 0.000 1.106 195 H CA 2.109 58.376 56.048 0.364 0.000 1.297 195 H CB -0.558 29.452 29.762 0.414 0.000 1.375 195 H HN 0.721 nan 8.280 nan 0.000 0.509 196 N N 0.662 119.231 118.700 -0.219 0.000 2.187 196 N HA 0.025 4.765 4.740 -0.000 0.000 0.212 196 N C -0.061 175.513 175.510 0.107 0.000 1.152 196 N CA -0.430 52.644 53.050 0.039 0.000 0.872 196 N CB 0.554 39.120 38.487 0.131 0.000 1.025 196 N HN 0.561 nan 8.380 nan 0.000 0.514 197 R N -0.896 119.661 120.500 0.095 0.000 2.566 197 R HA 0.400 4.740 4.340 -0.000 0.000 0.271 197 R C -2.859 173.480 176.300 0.065 0.000 1.071 197 R CA -1.344 54.791 56.100 0.060 0.000 0.915 197 R CB 1.204 31.592 30.300 0.146 0.000 1.228 197 R HN -0.240 nan 8.270 nan 0.000 0.449 198 P HA 0.060 nan 4.420 nan 0.000 0.258 198 P C -0.583 176.769 177.300 0.087 0.000 1.319 198 P CA 0.522 63.677 63.100 0.092 0.000 0.785 198 P CB 0.315 32.084 31.700 0.115 0.000 1.252 199 A N -0.752 122.091 122.820 0.038 0.000 2.588 199 A HA 0.470 4.790 4.320 -0.000 0.000 0.290 199 A C -1.807 175.795 177.584 0.030 0.000 1.136 199 A CA -0.698 51.368 52.037 0.048 0.000 0.681 199 A CB 0.338 19.322 19.000 -0.027 0.000 1.282 199 A HN -0.048 nan 8.150 nan 0.000 0.421 200 Y N 2.576 122.793 120.300 -0.139 0.000 2.650 200 Y HA 0.419 4.969 4.550 -0.000 0.000 0.343 200 Y C 0.283 176.066 175.900 -0.194 0.000 1.078 200 Y CA 0.193 58.166 58.100 -0.212 0.000 1.356 200 Y CB 0.028 38.143 38.460 -0.575 0.000 1.204 200 Y HN 0.876 nan 8.280 nan 0.000 0.508 201 N N 0.948 119.500 118.700 -0.246 0.000 3.387 201 N HA 0.502 5.242 4.740 -0.000 0.000 0.322 201 N C -1.551 173.866 175.510 -0.157 0.000 1.588 201 N CA -1.042 52.002 53.050 -0.010 0.000 0.778 201 N CB 1.441 40.019 38.487 0.151 0.000 1.883 201 N HN 0.179 nan 8.380 nan 0.000 0.628 202 S N -1.827 113.705 115.700 -0.281 0.000 2.566 202 S HA 0.347 4.817 4.470 -0.000 0.000 0.298 202 S C -0.034 174.399 174.600 -0.277 0.000 1.083 202 S CA -0.546 57.378 58.200 -0.459 0.000 0.978 202 S CB 1.004 63.726 63.200 -0.798 0.000 1.073 202 S HN 0.523 nan 8.310 nan 0.000 0.491 203 E N 1.319 121.436 120.200 -0.139 0.000 2.427 203 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 203 E C 0.038 176.609 176.600 -0.048 0.000 1.028 203 E CA 0.452 56.822 56.400 -0.049 0.000 0.864 203 E CB 0.084 29.722 29.700 -0.103 0.000 0.813 203 E HN 0.528 nan 8.360 nan 0.000 0.514 204 C N 0.939 120.160 119.300 -0.131 0.000 2.751 204 C HA 0.243 4.703 4.460 -0.000 0.000 0.248 204 C C 1.376 176.324 174.990 -0.069 0.000 1.710 204 C CA -0.835 58.143 59.018 -0.067 0.000 1.676 204 C CB -1.035 26.696 27.740 -0.015 0.000 3.106 204 C HN 0.449 nan 8.230 nan 0.000 0.502 205 H N 1.270 120.378 119.070 0.063 0.000 2.319 205 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 205 H C 2.303 177.656 175.328 0.040 0.000 1.092 205 H CA 2.161 58.279 56.048 0.116 0.000 1.302 205 H CB -0.235 29.680 29.762 0.256 0.000 1.373 205 H HN 0.580 nan 8.280 nan 0.000 0.497 206 A N 0.114 122.898 122.820 -0.061 0.000 1.845 206 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 206 A C 2.695 180.142 177.584 -0.227 0.000 1.195 206 A CA 2.470 54.241 52.037 -0.443 0.000 0.616 206 A CB -1.228 17.279 19.000 -0.822 0.000 0.832 206 A HN 0.465 nan 8.150 nan 0.000 0.443 207 T N -1.055 113.391 114.554 -0.179 0.000 2.720 207 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 207 T C 2.084 176.734 174.700 -0.082 0.000 1.037 207 T CA 1.849 63.866 62.100 -0.139 0.000 1.144 207 T CB -0.304 68.519 68.868 -0.076 0.000 0.864 207 T HN 0.534 nan 8.240 nan 0.000 0.444 208 R N 0.341 120.826 120.500 -0.026 0.000 2.081 208 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 208 R C 2.581 178.877 176.300 -0.006 0.000 1.131 208 R CA 1.779 57.883 56.100 0.007 0.000 0.960 208 R CB -0.192 30.128 30.300 0.033 0.000 0.856 208 R HN 0.563 nan 8.270 nan 0.000 0.436 209 E N 0.200 120.408 120.200 0.013 0.000 2.204 209 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 209 E C 1.715 178.278 176.600 -0.062 0.000 0.989 209 E CA 1.033 57.448 56.400 0.025 0.000 0.824 209 E CB 0.040 29.806 29.700 0.110 0.000 0.756 209 E HN 0.337 nan 8.360 nan 0.000 0.477 210 M N -1.061 118.462 119.600 -0.127 0.000 2.595 210 M HA 0.106 4.586 4.480 -0.000 0.000 0.248 210 M C 1.210 177.304 176.300 -0.343 0.000 1.119 210 M CA 0.821 55.989 55.300 -0.220 0.000 1.079 210 M CB 0.770 33.215 32.600 -0.259 0.000 1.472 210 M HN 0.273 nan 8.290 nan 0.000 0.501 211 G N 1.341 109.996 108.800 -0.240 0.000 2.184 211 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.206 211 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.206 211 G C -0.003 174.799 174.900 -0.162 0.000 0.995 211 G CA -0.628 44.360 45.100 -0.188 0.000 0.651 211 G HN 0.418 nan 8.290 nan 0.000 0.511 212 I N 2.279 122.748 120.570 -0.168 0.000 2.405 212 I HA 0.510 4.680 4.170 -0.000 0.000 0.280 212 I C 1.139 177.325 176.117 0.116 0.000 1.027 212 I CA -0.564 60.670 61.300 -0.110 0.000 1.161 212 I CB 1.420 39.336 38.000 -0.140 0.000 1.300 212 I HN 0.144 nan 8.210 nan 0.000 0.463 213 G N 4.618 113.600 108.800 0.303 0.000 2.491 213 G HA2 0.038 3.998 3.960 -0.000 0.000 0.238 213 G HA3 0.038 3.998 3.960 -0.000 0.000 0.238 213 G C 1.082 176.110 174.900 0.213 0.000 1.277 213 G CA -0.309 44.926 45.100 0.226 0.000 0.851 213 G HN 0.795 nan 8.290 nan 0.000 0.573 214 E N 1.467 121.755 120.200 0.148 0.000 2.338 214 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 214 E C 0.660 177.329 176.600 0.116 0.000 1.007 214 E CA 0.626 57.114 56.400 0.147 0.000 0.849 214 E CB -0.033 29.744 29.700 0.128 0.000 0.774 214 E HN 0.432 nan 8.360 nan 0.000 0.506 215 L N 2.867 124.155 121.223 0.108 0.000 2.504 215 L HA 0.273 4.613 4.340 -0.000 0.000 0.249 215 L C -0.008 176.907 176.870 0.076 0.000 1.120 215 L CA -0.421 54.470 54.840 0.085 0.000 0.997 215 L CB 0.316 42.414 42.059 0.065 0.000 1.349 215 L HN 0.055 nan 8.230 nan 0.000 0.439 216 N N -0.535 118.232 118.700 0.112 0.000 2.203 216 N HA 0.016 4.756 4.740 -0.000 0.000 0.207 216 N C 0.148 175.686 175.510 0.047 0.000 1.130 216 N CA -0.436 52.661 53.050 0.079 0.000 0.861 216 N CB 0.316 38.964 38.487 0.268 0.000 1.005 216 N HN 0.488 nan 8.380 nan 0.000 0.507 217 N N 0.135 118.873 118.700 0.063 0.000 3.283 217 N HA 0.643 5.383 4.740 -0.000 0.000 0.338 217 N C -1.473 174.049 175.510 0.020 0.000 1.517 217 N CA -0.877 52.208 53.050 0.058 0.000 0.733 217 N CB 0.665 39.223 38.487 0.118 0.000 1.797 217 N HN 0.013 nan 8.380 nan 0.000 0.637 218 A N -1.481 121.359 122.820 0.034 0.000 2.354 218 A HA 0.494 4.814 4.320 -0.000 0.000 0.321 218 A C -0.027 177.613 177.584 0.094 0.000 1.125 218 A CA -0.840 51.179 52.037 -0.030 0.000 0.799 218 A CB 0.347 19.327 19.000 -0.033 0.000 1.293 218 A HN 0.712 nan 8.150 nan 0.000 0.452 219 Y N -0.520 119.648 120.300 -0.220 0.000 2.421 219 Y HA -0.180 4.370 4.550 -0.000 0.000 0.292 219 Y C 2.253 178.093 175.900 -0.101 0.000 1.136 219 Y CA 1.199 59.106 58.100 -0.322 0.000 1.255 219 Y CB 0.257 38.166 38.460 -0.919 0.000 0.991 219 Y HN 0.954 nan 8.280 nan 0.000 0.552 220 E N 0.830 121.086 120.200 0.093 0.000 2.204 220 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 220 E C 1.357 178.042 176.600 0.142 0.000 0.990 220 E CA 1.165 57.652 56.400 0.145 0.000 0.821 220 E CB -0.005 29.749 29.700 0.089 0.000 0.750 220 E HN 0.464 nan 8.360 nan 0.000 0.477 221 D N 0.076 120.557 120.400 0.135 0.000 2.182 221 D HA -0.170 4.470 4.640 -0.000 0.000 0.201 221 D C 1.730 178.084 176.300 0.090 0.000 0.986 221 D CA 1.144 55.212 54.000 0.113 0.000 0.847 221 D CB -0.023 40.846 40.800 0.116 0.000 0.942 221 D HN 0.289 nan 8.370 nan 0.000 0.467 222 A N 0.768 123.674 122.820 0.144 0.000 2.067 222 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 222 A C 2.056 179.633 177.584 -0.011 0.000 1.158 222 A CA 0.938 52.968 52.037 -0.013 0.000 0.661 222 A CB -0.300 18.710 19.000 0.017 0.000 0.801 222 A HN 0.210 nan 8.150 nan 0.000 0.452 223 Q N -0.839 119.021 119.800 0.100 0.000 2.311 223 Q HA 0.136 4.476 4.340 -0.000 0.000 0.203 223 Q C 1.445 177.439 176.000 -0.011 0.000 0.954 223 Q CA 0.693 56.533 55.803 0.062 0.000 0.885 223 Q CB -0.035 28.771 28.738 0.114 0.000 0.963 223 Q HN 0.660 nan 8.270 nan 0.000 0.471 224 L N -0.056 121.168 121.223 0.001 0.000 2.554 224 L HA 0.239 4.579 4.340 -0.000 0.000 0.225 224 L C 0.828 177.689 176.870 -0.016 0.000 1.104 224 L CA -0.556 54.272 54.840 -0.019 0.000 0.866 224 L CB 0.115 42.205 42.059 0.052 0.000 1.047 224 L HN -0.016 nan 8.230 nan 0.000 0.468 225 A N -0.003 122.798 122.820 -0.032 0.000 2.386 225 A HA 0.048 4.368 4.320 -0.000 0.000 0.248 225 A C 0.645 178.214 177.584 -0.026 0.000 1.082 225 A CA -0.182 51.833 52.037 -0.036 0.000 0.789 225 A CB 0.290 19.229 19.000 -0.103 0.000 1.025 225 A HN 0.130 nan 8.150 nan 0.000 0.490 226 D N -0.226 120.177 120.400 0.005 0.000 2.183 226 D HA 0.115 4.755 4.640 -0.000 0.000 0.205 226 D C -0.017 176.237 176.300 -0.077 0.000 0.962 226 D CA 1.394 55.393 54.000 -0.001 0.000 0.849 226 D CB 0.352 41.151 40.800 -0.002 0.000 0.978 226 D HN 0.221 nan 8.370 nan 0.000 0.488 227 V N 1.223 121.088 119.914 -0.081 0.000 2.808 227 V HA 0.374 4.494 4.120 -0.000 0.000 0.308 227 V C -0.519 175.497 176.094 -0.131 0.000 1.099 227 V CA -0.725 61.516 62.300 -0.100 0.000 0.920 227 V CB 2.933 34.737 31.823 -0.032 0.000 1.014 227 V HN -0.124 nan 8.190 nan 0.000 0.425 228 I N 2.838 123.271 120.570 -0.228 0.000 2.406 228 I HA 0.443 4.613 4.170 -0.000 0.000 0.290 228 I C -1.187 174.773 176.117 -0.260 0.000 0.999 228 I CA -0.281 60.820 61.300 -0.331 0.000 1.124 228 I CB 1.880 39.437 38.000 -0.738 0.000 1.289 228 I HN 0.546 nan 8.210 nan 0.000 0.441 229 W N 4.452 125.546 121.300 -0.343 0.000 2.469 229 W HA 0.483 5.143 4.660 -0.000 0.000 0.320 229 W C 0.378 176.835 176.519 -0.104 0.000 1.086 229 W CA -0.574 56.652 57.345 -0.199 0.000 1.211 229 W CB 1.729 31.130 29.460 -0.100 0.000 1.298 229 W HN 0.267 nan 8.180 nan 0.000 0.525 230 S N 4.715 120.482 115.700 0.113 0.000 2.669 230 S HA 0.620 5.090 4.470 -0.000 0.000 0.315 230 S C -0.970 173.863 174.600 0.389 0.000 1.106 230 S CA -0.499 57.871 58.200 0.284 0.000 1.107 230 S CB -0.323 63.012 63.200 0.225 0.000 0.990 230 S HN 0.357 nan 8.310 nan 0.000 0.471 231 I N 4.240 125.086 120.570 0.460 0.000 2.330 231 I HA 0.446 4.616 4.170 -0.000 0.000 0.289 231 I C 1.044 177.415 176.117 0.423 0.000 1.001 231 I CA -0.425 61.176 61.300 0.502 0.000 1.193 231 I CB 1.302 39.640 38.000 0.564 0.000 1.345 231 I HN 0.923 nan 8.210 nan 0.000 0.461 232 G N 4.714 113.745 108.800 0.385 0.000 2.350 232 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.298 232 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.298 232 G C -0.297 174.763 174.900 0.266 0.000 1.037 232 G CA 0.190 45.484 45.100 0.324 0.000 1.074 232 G HN 0.832 nan 8.290 nan 0.000 0.511 233 N N -0.392 118.466 118.700 0.264 0.000 2.367 233 N HA 0.299 5.039 4.740 -0.000 0.000 0.278 233 N C -1.266 174.339 175.510 0.159 0.000 1.117 233 N CA -0.644 52.524 53.050 0.196 0.000 0.867 233 N CB 1.226 39.858 38.487 0.242 0.000 1.649 233 N HN 0.205 nan 8.380 nan 0.000 0.479 234 N N 4.252 122.973 118.700 0.035 0.000 2.791 234 N HA 0.238 4.978 4.740 -0.000 0.000 0.265 234 N C -1.953 173.455 175.510 -0.169 0.000 1.580 234 N CA -2.034 50.975 53.050 -0.068 0.000 0.809 234 N CB 1.083 39.512 38.487 -0.097 0.000 1.178 234 N HN 0.417 nan 8.380 nan 0.000 0.499 235 P HA -0.218 nan 4.420 nan 0.000 0.218 235 P C 1.117 178.045 177.300 -0.620 0.000 1.148 235 P CA 0.968 63.787 63.100 -0.468 0.000 0.822 235 P CB 0.008 31.295 31.700 -0.689 0.000 0.784 236 Y N 1.670 121.349 120.300 -1.035 0.000 2.224 236 Y HA -0.143 4.407 4.550 -0.000 0.000 0.289 236 Y C 2.248 177.947 175.900 -0.334 0.000 1.146 236 Y CA 1.693 59.311 58.100 -0.803 0.000 1.182 236 Y CB -0.333 37.698 38.460 -0.714 0.000 0.983 236 Y HN -0.051 nan 8.280 nan 0.000 0.524 237 E N -0.878 119.161 120.200 -0.270 0.000 2.190 237 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 237 E C 1.990 178.496 176.600 -0.156 0.000 0.978 237 E CA 1.050 57.313 56.400 -0.228 0.000 0.839 237 E CB 0.055 29.702 29.700 -0.087 0.000 0.787 237 E HN 0.531 nan 8.360 nan 0.000 0.473 238 S N -0.428 115.192 115.700 -0.133 0.000 2.512 238 S HA 0.104 4.574 4.470 -0.000 0.000 0.216 238 S C 0.918 175.508 174.600 -0.018 0.000 1.006 238 S CA -0.225 57.950 58.200 -0.041 0.000 0.915 238 S CB 0.441 63.626 63.200 -0.026 0.000 0.824 238 S HN -0.043 nan 8.310 nan 0.000 0.497 239 Q N 1.006 120.753 119.800 -0.087 0.000 2.706 239 Q HA 0.389 4.729 4.340 -0.000 0.000 0.335 239 Q C 0.514 176.471 176.000 -0.072 0.000 0.796 239 Q CA -0.068 55.720 55.803 -0.026 0.000 1.046 239 Q CB 0.409 29.148 28.738 0.001 0.000 1.448 239 Q HN 0.246 nan 8.270 nan 0.000 0.385 240 T N -0.063 114.426 114.554 -0.109 0.000 2.564 240 T HA -0.222 4.128 4.350 -0.000 0.000 0.264 240 T C 1.386 176.080 174.700 -0.009 0.000 1.100 240 T CA 2.079 64.087 62.100 -0.154 0.000 1.171 240 T CB -0.099 68.630 68.868 -0.231 0.000 0.863 240 T HN 0.394 nan 8.240 nan 0.000 0.430 241 N N 0.024 118.742 118.700 0.030 0.000 2.457 241 N HA -0.002 4.738 4.740 -0.000 0.000 0.180 241 N C 1.411 177.015 175.510 0.157 0.000 1.050 241 N CA 0.326 53.422 53.050 0.075 0.000 0.906 241 N CB -0.320 38.206 38.487 0.067 0.000 0.968 241 N HN 0.440 nan 8.380 nan 0.000 0.445 242 Y N 0.622 120.881 120.300 -0.068 0.000 2.184 242 Y HA -0.055 4.495 4.550 -0.000 0.000 0.290 242 Y C 2.036 177.851 175.900 -0.140 0.000 1.129 242 Y CA 0.686 58.689 58.100 -0.162 0.000 1.144 242 Y CB -0.999 37.169 38.460 -0.488 0.000 0.995 242 Y HN -0.030 nan 8.280 nan 0.000 0.513 243 F N 0.453 120.106 119.950 -0.494 0.000 2.069 243 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 243 F C 2.091 177.799 175.800 -0.153 0.000 1.113 243 F CA 1.997 59.598 58.000 -0.666 0.000 1.214 243 F CB -0.583 38.082 39.000 -0.558 0.000 0.978 243 F HN 0.029 nan 8.300 nan 0.000 0.474 244 L N -0.198 121.068 121.223 0.071 0.000 2.093 244 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 244 L C 1.888 178.720 176.870 -0.063 0.000 1.085 244 L CA 1.655 56.496 54.840 0.001 0.000 0.755 244 L CB -0.744 41.362 42.059 0.077 0.000 0.904 244 L HN 0.199 nan 8.230 nan 0.000 0.435 245 N N -1.901 116.768 118.700 -0.052 0.000 2.373 245 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 245 N C 1.543 176.786 175.510 -0.446 0.000 1.082 245 N CA 0.635 53.551 53.050 -0.225 0.000 0.885 245 N CB 0.322 38.666 38.487 -0.240 0.000 0.977 245 N HN 0.332 nan 8.380 nan 0.000 0.462 246 H N -3.017 116.137 119.070 0.141 0.000 2.573 246 H HA 0.101 4.657 4.556 -0.000 0.000 0.236 246 H C 0.728 176.170 175.328 0.191 0.000 0.907 246 H CA 0.108 56.286 56.048 0.217 0.000 1.058 246 H CB -0.017 30.007 29.762 0.436 0.000 1.417 246 H HN 0.162 nan 8.280 nan 0.000 0.425 247 W N 2.058 123.283 121.300 -0.124 0.000 2.408 247 W HA 0.065 4.725 4.660 0.000 0.000 0.311 247 W C 2.391 178.723 176.519 -0.313 0.000 1.190 247 W CA 0.370 57.558 57.345 -0.262 0.000 1.321 247 W CB -0.975 28.238 29.460 -0.413 0.000 1.143 247 W HN 0.009 nan 8.180 nan 0.000 0.501 248 L N -0.114 121.001 121.223 -0.180 0.000 2.083 248 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 248 L C -0.368 176.435 176.870 -0.111 0.000 1.083 248 L CA 1.338 56.048 54.840 -0.215 0.000 0.752 248 L CB -2.185 39.703 42.059 -0.285 0.000 0.899 248 L HN -0.089 nan 8.230 nan 0.000 0.433 249 P HA -0.127 nan 4.420 nan 0.000 0.218 249 P C 1.173 178.438 177.300 -0.058 0.000 1.149 249 P CA 1.148 64.208 63.100 -0.067 0.000 0.817 249 P CB 0.002 31.664 31.700 -0.064 0.000 0.785 250 N N -0.232 118.438 118.700 -0.051 0.000 2.080 250 N HA -0.112 4.628 4.740 -0.000 0.000 0.189 250 N C 1.642 177.107 175.510 -0.076 0.000 1.036 250 N CA 1.348 54.359 53.050 -0.064 0.000 0.846 250 N CB -0.996 37.447 38.487 -0.074 0.000 1.015 250 N HN 0.031 nan 8.380 nan 0.000 0.423 251 L N 0.411 121.586 121.223 -0.081 0.000 2.079 251 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 251 L C 2.064 178.892 176.870 -0.070 0.000 1.081 251 L CA 1.219 56.013 54.840 -0.077 0.000 0.752 251 L CB -0.427 41.593 42.059 -0.065 0.000 0.896 251 L HN 0.318 nan 8.230 nan 0.000 0.433 252 Q N -0.517 119.243 119.800 -0.067 0.000 2.472 252 Q HA 0.039 4.379 4.340 -0.000 0.000 0.208 252 Q C 1.496 177.462 176.000 -0.055 0.000 0.958 252 Q CA 0.615 56.383 55.803 -0.059 0.000 0.932 252 Q CB 0.299 29.003 28.738 -0.057 0.000 1.007 252 Q HN 0.631 nan 8.270 nan 0.000 0.508 253 G N 0.135 108.901 108.800 -0.058 0.000 2.175 253 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 253 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 253 G C 0.779 175.649 174.900 -0.051 0.000 0.982 253 G CA 0.154 45.222 45.100 -0.053 0.000 0.641 253 G HN 0.449 nan 8.290 nan 0.000 0.527 254 A N 0.139 122.928 122.820 -0.052 0.000 2.209 254 A HA 0.424 4.744 4.320 -0.000 0.000 0.212 254 A C 2.216 179.768 177.584 -0.053 0.000 1.158 254 A CA 2.478 54.485 52.037 -0.050 0.000 0.742 254 A CB -0.407 18.563 19.000 -0.049 0.000 0.790 254 A HN 1.516 nan 8.150 nan 0.000 0.472 255 T N -5.866 108.651 114.554 -0.062 0.000 3.044 255 T HA 0.065 4.415 4.350 -0.000 0.000 0.260 255 T C 1.413 176.048 174.700 -0.109 0.000 1.019 255 T CA 0.883 62.940 62.100 -0.073 0.000 0.921 255 T CB -0.233 68.598 68.868 -0.062 0.000 1.053 255 T HN 0.137 nan 8.240 nan 0.000 0.533 256 T N 3.093 117.590 114.554 -0.095 0.000 2.720 256 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 256 T C 2.358 176.988 174.700 -0.116 0.000 1.037 256 T CA 2.094 64.130 62.100 -0.106 0.000 1.144 256 T CB -0.617 68.222 68.868 -0.047 0.000 0.864 256 T HN 0.744 nan 8.240 nan 0.000 0.444 257 S N 1.550 117.202 115.700 -0.080 0.000 2.399 257 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 257 S C 1.907 176.447 174.600 -0.100 0.000 1.022 257 S CA 0.828 58.986 58.200 -0.069 0.000 0.983 257 S CB -0.321 62.850 63.200 -0.049 0.000 0.803 257 S HN 0.470 nan 8.310 nan 0.000 0.480 258 K N 1.407 121.735 120.400 -0.120 0.000 2.057 258 K HA -0.014 4.306 4.320 -0.000 0.000 0.207 258 K C 2.356 178.830 176.600 -0.210 0.000 1.049 258 K CA 1.447 57.652 56.287 -0.137 0.000 0.931 258 K CB -0.146 32.288 32.500 -0.111 0.000 0.714 258 K HN 0.397 nan 8.250 nan 0.000 0.440 259 K N 0.989 121.199 120.400 -0.317 0.000 2.026 259 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 259 K C 2.013 178.366 176.600 -0.413 0.000 1.048 259 K CA 1.465 57.393 56.287 -0.598 0.000 0.929 259 K CB -0.022 31.701 32.500 -1.295 0.000 0.713 259 K HN 0.061 nan 8.250 nan 0.000 0.439 260 K N 0.859 121.132 120.400 -0.211 0.000 2.148 260 K HA -0.184 4.136 4.320 -0.000 0.000 0.204 260 K C 2.193 178.813 176.600 0.033 0.000 1.050 260 K CA 1.278 57.617 56.287 0.086 0.000 0.942 260 K CB 0.021 32.583 32.500 0.103 0.000 0.724 260 K HN 0.274 nan 8.250 nan 0.000 0.446 261 E N 1.408 121.570 120.200 -0.064 0.000 2.106 261 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 261 E C 1.970 178.476 176.600 -0.156 0.000 0.984 261 E CA 0.912 57.261 56.400 -0.084 0.000 0.806 261 E CB 0.166 29.810 29.700 -0.094 0.000 0.750 261 E HN 0.182 nan 8.360 nan 0.000 0.458 262 R N -0.933 119.393 120.500 -0.291 0.000 2.090 262 R HA -0.019 4.321 4.340 -0.000 0.000 0.228 262 R C 0.080 175.941 176.300 -0.730 0.000 1.110 262 R CA 0.748 56.479 56.100 -0.615 0.000 0.973 262 R CB 0.122 29.803 30.300 -1.032 0.000 0.869 262 R HN 0.108 nan 8.270 nan 0.000 0.440 263 F N -0.143 119.866 119.950 0.099 0.000 2.550 263 F HA 0.338 4.865 4.527 -0.000 0.000 0.348 263 F C -1.895 174.014 175.800 0.180 0.000 1.219 263 F CA -2.829 55.276 58.000 0.174 0.000 1.203 263 F CB 1.600 40.805 39.000 0.341 0.000 1.436 263 F HN -0.193 nan 8.300 nan 0.000 0.541 264 P HA -0.115 nan 4.420 nan 0.000 0.221 264 P C 0.510 177.884 177.300 0.124 0.000 1.145 264 P CA 1.322 64.504 63.100 0.137 0.000 0.795 264 P CB 0.269 32.012 31.700 0.072 0.000 0.775 265 N N -0.496 118.280 118.700 0.127 0.000 2.338 265 N HA 0.088 4.828 4.740 -0.000 0.000 0.251 265 N C -0.251 175.262 175.510 0.005 0.000 1.199 265 N CA 0.094 53.178 53.050 0.057 0.000 0.879 265 N CB 0.490 39.004 38.487 0.045 0.000 1.159 265 N HN 0.305 nan 8.380 nan 0.000 0.514 266 E N 0.439 120.637 120.200 -0.002 0.000 2.248 266 E HA 0.290 4.640 4.350 -0.000 0.000 0.267 266 E C -1.022 175.294 176.600 -0.473 0.000 0.877 266 E CA -0.587 55.664 56.400 -0.248 0.000 0.759 266 E CB 1.567 31.094 29.700 -0.288 0.000 1.182 266 E HN 0.094 nan 8.360 nan 0.000 0.418 267 N N 2.646 121.039 118.700 -0.511 0.000 2.530 267 N HA 0.237 4.977 4.740 -0.000 0.000 0.273 267 N C -1.316 173.714 175.510 -0.801 0.000 1.173 267 N CA 0.011 52.805 53.050 -0.427 0.000 0.967 267 N CB 0.608 38.931 38.487 -0.274 0.000 1.109 267 N HN 0.237 nan 8.380 nan 0.000 0.453 268 F N 2.086 122.011 119.950 -0.043 0.000 2.646 268 F HA 0.341 4.868 4.527 0.000 0.000 0.364 268 F C -1.781 173.974 175.800 -0.075 0.000 1.137 268 F CA -1.756 56.211 58.000 -0.055 0.000 1.085 268 F CB 0.923 39.908 39.000 -0.025 0.000 1.331 268 F HN 0.281 nan 8.300 nan 0.000 0.472 269 P HA 0.136 nan 4.420 nan 0.000 0.274 269 P C -0.692 176.576 177.300 -0.052 0.000 1.256 269 P CA -0.509 62.555 63.100 -0.061 0.000 0.795 269 P CB 0.866 32.486 31.700 -0.135 0.000 1.038 270 Q N -0.332 119.410 119.800 -0.097 0.000 2.349 270 Q HA 0.289 4.629 4.340 -0.000 0.000 0.287 270 Q C 0.326 176.237 176.000 -0.148 0.000 1.044 270 Q CA -0.128 55.611 55.803 -0.107 0.000 0.918 270 Q CB 0.227 28.889 28.738 -0.126 0.000 1.242 270 Q HN 0.536 nan 8.270 nan 0.000 0.405 271 A N 3.552 126.300 122.820 -0.121 0.000 2.445 271 A HA 0.269 4.589 4.320 -0.000 0.000 0.242 271 A C -0.054 177.414 177.584 -0.193 0.000 1.075 271 A CA 0.179 52.131 52.037 -0.140 0.000 0.777 271 A CB 0.441 19.373 19.000 -0.114 0.000 1.013 271 A HN 0.728 nan 8.150 nan 0.000 0.493 272 R N -0.094 120.276 120.500 -0.217 0.000 2.888 272 R HA 0.787 5.127 4.340 -0.000 0.000 0.266 272 R C -1.256 174.970 176.300 -0.124 0.000 1.020 272 R CA -0.695 55.270 56.100 -0.226 0.000 0.963 272 R CB 2.151 32.146 30.300 -0.508 0.000 1.197 272 R HN 0.725 nan 8.270 nan 0.000 0.481 273 I N 1.363 121.911 120.570 -0.036 0.000 2.656 273 I HA 0.462 4.632 4.170 -0.000 0.000 0.292 273 I C -1.553 174.463 176.117 -0.167 0.000 1.144 273 I CA -0.750 60.459 61.300 -0.152 0.000 1.038 273 I CB 1.836 39.773 38.000 -0.106 0.000 1.244 273 I HN 0.509 nan 8.210 nan 0.000 0.420 274 I N 7.228 127.511 120.570 -0.479 0.000 2.418 274 I HA 0.371 4.541 4.170 -0.000 0.000 0.287 274 I C -1.296 174.526 176.117 -0.493 0.000 1.008 274 I CA -0.426 60.532 61.300 -0.570 0.000 1.104 274 I CB 1.629 38.850 38.000 -1.298 0.000 1.264 274 I HN 0.358 nan 8.210 nan 0.000 0.438 275 F N 5.542 125.474 119.950 -0.029 0.000 2.427 275 F HA 0.435 4.962 4.527 0.000 0.000 0.346 275 F C 0.111 176.033 175.800 0.204 0.000 1.120 275 F CA -0.841 57.237 58.000 0.130 0.000 1.033 275 F CB 1.752 40.812 39.000 0.100 0.000 1.126 275 F HN 0.013 nan 8.300 nan 0.000 0.462 276 V N 3.400 123.574 119.914 0.434 0.000 2.294 276 V HA 0.370 4.490 4.120 -0.000 0.000 0.272 276 V C -0.870 175.456 176.094 0.387 0.000 1.027 276 V CA -0.233 62.298 62.300 0.385 0.000 0.823 276 V CB 0.835 32.931 31.823 0.454 0.000 1.030 276 V HN 0.677 nan 8.190 nan 0.000 0.457 277 D N 5.929 126.557 120.400 0.380 0.000 2.871 277 D HA 0.321 4.961 4.640 -0.000 0.000 0.209 277 D C -2.341 174.180 176.300 0.368 0.000 1.292 277 D CA -1.348 52.871 54.000 0.365 0.000 0.869 277 D CB 3.277 44.274 40.800 0.328 0.000 1.663 277 D HN 0.071 nan 8.370 nan 0.000 0.557 278 P HA -0.087 nan 4.420 nan 0.000 0.218 278 P C 0.118 177.612 177.300 0.325 0.000 1.146 278 P CA 0.875 64.113 63.100 0.229 0.000 0.813 278 P CB 0.285 32.071 31.700 0.144 0.000 0.778 279 R N 0.611 121.335 120.500 0.373 0.000 2.474 279 R HA 0.220 4.560 4.340 -0.000 0.000 0.295 279 R C -0.167 176.228 176.300 0.158 0.000 0.980 279 R CA -0.590 55.669 56.100 0.264 0.000 0.934 279 R CB 0.711 31.107 30.300 0.160 0.000 1.101 279 R HN -0.093 nan 8.270 nan 0.000 0.469 280 E N 3.253 123.523 120.200 0.116 0.000 2.105 280 E HA 0.076 4.426 4.350 -0.000 0.000 0.285 280 E C -0.753 175.721 176.600 -0.210 0.000 1.055 280 E CA -0.323 56.015 56.400 -0.104 0.000 0.843 280 E CB 0.745 30.470 29.700 0.041 0.000 1.067 280 E HN 0.683 nan 8.360 nan 0.000 0.398 281 T N 1.227 115.572 114.554 -0.349 0.000 2.923 281 T HA 0.354 4.704 4.350 -0.000 0.000 0.281 281 T C -1.983 172.525 174.700 -0.319 0.000 0.995 281 T CA -1.895 60.007 62.100 -0.330 0.000 0.985 281 T CB 1.422 70.081 68.868 -0.348 0.000 1.114 281 T HN 0.142 nan 8.240 nan 0.000 0.548 282 P HA -0.035 nan 4.420 nan 0.000 0.218 282 P C 1.710 178.824 177.300 -0.310 0.000 1.148 282 P CA 0.949 63.912 63.100 -0.228 0.000 0.822 282 P CB -0.089 31.529 31.700 -0.137 0.000 0.784 283 S N -0.863 114.614 115.700 -0.372 0.000 2.368 283 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 283 S C 1.968 176.257 174.600 -0.519 0.000 1.030 283 S CA 1.218 59.149 58.200 -0.449 0.000 0.999 283 S CB -1.174 61.756 63.200 -0.450 0.000 0.844 283 S HN -0.022 nan 8.310 nan 0.000 0.459 284 V N 1.992 121.394 119.914 -0.855 0.000 2.343 284 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 284 V C 2.650 178.578 176.094 -0.276 0.000 1.051 284 V CA 1.680 63.487 62.300 -0.822 0.000 1.036 284 V CB -1.230 30.091 31.823 -0.837 0.000 0.654 284 V HN 0.539 nan 8.190 nan 0.000 0.451 285 A N -0.151 122.539 122.820 -0.217 0.000 1.902 285 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 285 A C 2.184 179.783 177.584 0.024 0.000 1.181 285 A CA 2.015 54.013 52.037 -0.066 0.000 0.623 285 A CB -0.537 18.423 19.000 -0.067 0.000 0.818 285 A HN 0.513 nan 8.150 nan 0.000 0.443 286 I N -0.470 120.083 120.570 -0.029 0.000 2.286 286 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 286 I C 2.961 179.180 176.117 0.170 0.000 1.104 286 I CA 0.886 62.205 61.300 0.031 0.000 1.397 286 I CB -0.293 37.662 38.000 -0.074 0.000 1.072 286 I HN 0.349 nan 8.210 nan 0.000 0.417 287 A N 1.009 123.974 122.820 0.242 0.000 1.908 287 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 287 A C 2.385 180.082 177.584 0.188 0.000 1.181 287 A CA 1.645 53.862 52.037 0.300 0.000 0.627 287 A CB -0.583 18.737 19.000 0.534 0.000 0.818 287 A HN 0.325 nan 8.150 nan 0.000 0.445 288 R N -1.899 118.695 120.500 0.156 0.000 2.075 288 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 288 R C 2.261 178.625 176.300 0.108 0.000 1.126 288 R CA 1.531 57.704 56.100 0.121 0.000 0.963 288 R CB -0.560 29.800 30.300 0.101 0.000 0.858 288 R HN 0.806 nan 8.270 nan 0.000 0.435 289 H N 0.421 119.532 119.070 0.069 0.000 2.352 289 H HA -0.086 4.470 4.556 0.000 0.000 0.299 289 H C 1.768 177.123 175.328 0.045 0.000 1.097 289 H CA 1.830 57.925 56.048 0.078 0.000 1.311 289 H CB 0.108 29.950 29.762 0.133 0.000 1.377 289 H HN -0.068 nan 8.280 nan 0.000 0.504 290 V N -0.278 119.660 119.914 0.039 0.000 2.446 290 V HA -0.024 4.096 4.120 -0.000 0.000 0.244 290 V C 2.393 178.458 176.094 -0.049 0.000 1.039 290 V CA 1.502 63.789 62.300 -0.022 0.000 1.045 290 V CB -0.511 31.322 31.823 0.017 0.000 0.681 290 V HN 0.645 nan 8.190 nan 0.000 0.459 291 A N -1.189 121.625 122.820 -0.009 0.000 2.169 291 A HA 0.558 4.878 4.320 -0.000 0.000 0.210 291 A C 1.219 178.790 177.584 -0.022 0.000 1.168 291 A CA 0.834 52.858 52.037 -0.021 0.000 0.813 291 A CB -0.070 18.929 19.000 -0.002 0.000 0.861 291 A HN 1.196 nan 8.150 nan 0.000 0.481 292 G N -0.466 108.329 108.800 -0.008 0.000 2.719 292 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 292 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 292 G C 0.018 174.944 174.900 0.045 0.000 1.201 292 G CA -0.146 44.954 45.100 0.001 0.000 0.768 292 G HN 0.131 nan 8.290 nan 0.000 0.629 293 N N 0.349 119.082 118.700 0.055 0.000 2.205 293 N HA -0.079 4.661 4.740 -0.000 0.000 0.186 293 N C 1.587 177.169 175.510 0.120 0.000 1.015 293 N CA 1.626 54.729 53.050 0.087 0.000 0.862 293 N CB -0.099 38.432 38.487 0.072 0.000 0.986 293 N HN 0.615 nan 8.380 nan 0.000 0.429 294 D N -0.048 120.408 120.400 0.094 0.000 2.348 294 D HA -0.013 4.627 4.640 -0.000 0.000 0.216 294 D C 1.082 177.471 176.300 0.148 0.000 0.970 294 D CA 0.522 54.601 54.000 0.131 0.000 0.889 294 D CB 0.070 40.911 40.800 0.068 0.000 0.912 294 D HN 0.285 nan 8.370 nan 0.000 0.524 295 R N -0.267 120.274 120.500 0.068 0.000 2.432 295 R HA 0.224 4.564 4.340 -0.000 0.000 0.260 295 R C -0.407 175.976 176.300 0.139 0.000 0.935 295 R CA -0.031 56.024 56.100 -0.074 0.000 1.080 295 R CB 1.321 31.535 30.300 -0.143 0.000 1.155 295 R HN -0.094 nan 8.270 nan 0.000 0.531 296 V N 1.642 121.741 119.914 0.308 0.000 2.588 296 V HA 0.383 4.503 4.120 -0.000 0.000 0.304 296 V C -0.551 175.726 176.094 0.304 0.000 1.042 296 V CA -0.773 61.724 62.300 0.328 0.000 0.877 296 V CB 2.443 34.427 31.823 0.269 0.000 0.996 296 V HN 0.113 nan 8.190 nan 0.000 0.425 297 L N 4.304 125.637 121.223 0.183 0.000 2.319 297 L HA 0.502 4.842 4.340 -0.000 0.000 0.281 297 L C -0.213 176.731 176.870 0.124 0.000 1.005 297 L CA -0.409 54.421 54.840 -0.017 0.000 0.828 297 L CB 1.268 43.104 42.059 -0.371 0.000 1.227 297 L HN 0.729 nan 8.230 nan 0.000 0.415 298 H N 5.649 124.748 119.070 0.048 0.000 2.741 298 H HA 0.331 4.887 4.556 -0.000 0.000 0.282 298 H C -0.774 174.568 175.328 0.023 0.000 1.122 298 H CA -0.864 55.237 56.048 0.089 0.000 1.293 298 H CB 0.827 30.628 29.762 0.066 0.000 1.415 298 H HN 0.503 nan 8.280 nan 0.000 0.472 299 L N 5.599 126.845 121.223 0.038 0.000 2.356 299 L HA 0.215 4.555 4.340 -0.000 0.000 0.282 299 L C 0.617 177.393 176.870 -0.157 0.000 1.132 299 L CA -0.467 54.319 54.840 -0.089 0.000 0.923 299 L CB 0.590 42.635 42.059 -0.023 0.000 1.278 299 L HN 0.662 nan 8.230 nan 0.000 0.436 300 A N 5.916 128.492 122.820 -0.407 0.000 3.056 300 A HA 0.349 4.669 4.320 -0.000 0.000 0.274 300 A C 0.591 178.095 177.584 -0.133 0.000 1.661 300 A CA -0.566 51.248 52.037 -0.372 0.000 1.363 300 A CB -0.751 17.929 19.000 -0.535 0.000 1.139 300 A HN 0.752 nan 8.150 nan 0.000 0.598 301 I N -2.184 118.347 120.570 -0.066 0.000 2.993 301 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 301 I C 0.159 176.232 176.117 -0.074 0.000 1.215 301 I CA -0.590 60.666 61.300 -0.072 0.000 1.393 301 I CB 0.517 38.475 38.000 -0.070 0.000 1.371 301 I HN 0.254 nan 8.210 nan 0.000 0.602 302 E N 4.305 124.452 120.200 -0.088 0.000 2.413 302 E HA 0.195 4.545 4.350 -0.000 0.000 0.263 302 E C -2.201 174.323 176.600 -0.127 0.000 1.015 302 E CA -1.584 54.758 56.400 -0.095 0.000 0.916 302 E CB 0.067 29.735 29.700 -0.054 0.000 0.947 302 E HN 0.448 nan 8.360 nan 0.000 0.440 303 P HA -0.042 nan 4.420 nan 0.000 0.264 303 P C 0.613 177.940 177.300 0.044 0.000 1.183 303 P CA 1.083 63.966 63.100 -0.362 0.000 0.763 303 P CB 0.389 31.432 31.700 -1.095 0.000 0.807 304 G N 2.358 111.270 108.800 0.186 0.000 2.168 304 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.263 304 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.263 304 G C 0.677 175.713 174.900 0.227 0.000 0.977 304 G CA 0.648 45.907 45.100 0.264 0.000 0.659 304 G HN 0.657 nan 8.290 nan 0.000 0.533 305 T N -2.556 112.036 114.554 0.063 0.000 3.163 305 T HA 0.338 4.688 4.350 -0.000 0.000 0.252 305 T C 1.318 175.851 174.700 -0.279 0.000 1.056 305 T CA 0.909 62.885 62.100 -0.207 0.000 0.947 305 T CB 0.151 68.844 68.868 -0.291 0.000 1.016 305 T HN 0.203 nan 8.240 nan 0.000 0.554 306 D N 1.976 122.330 120.400 -0.076 0.000 2.149 306 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 306 D C 2.009 178.259 176.300 -0.083 0.000 1.001 306 D CA 1.746 55.700 54.000 -0.077 0.000 0.849 306 D CB -0.395 40.513 40.800 0.179 0.000 0.939 306 D HN 0.347 nan 8.370 nan 0.000 0.449 307 T N -0.199 114.372 114.554 0.027 0.000 2.746 307 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 307 T C 2.029 176.672 174.700 -0.094 0.000 1.039 307 T CA 1.281 63.444 62.100 0.104 0.000 1.142 307 T CB -0.365 68.677 68.868 0.291 0.000 0.866 307 T HN 0.237 nan 8.240 nan 0.000 0.444 308 A N 1.241 123.774 122.820 -0.478 0.000 1.902 308 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 308 A C 2.232 179.597 177.584 -0.365 0.000 1.181 308 A CA 1.355 53.028 52.037 -0.607 0.000 0.623 308 A CB -0.832 17.479 19.000 -1.149 0.000 0.818 308 A HN 0.429 nan 8.150 nan 0.000 0.443 309 L N -1.329 119.644 121.223 -0.417 0.000 1.989 309 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 309 L C 2.146 178.803 176.870 -0.355 0.000 1.071 309 L CA 2.184 56.769 54.840 -0.424 0.000 0.749 309 L CB -0.706 40.985 42.059 -0.614 0.000 0.890 309 L HN 0.331 nan 8.230 nan 0.000 0.431 310 F N -0.148 119.797 119.950 -0.007 0.000 2.259 310 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 310 F C 2.316 178.148 175.800 0.053 0.000 1.088 310 F CA 0.851 58.858 58.000 0.011 0.000 1.358 310 F CB -1.073 37.900 39.000 -0.044 0.000 1.040 310 F HN 0.214 nan 8.300 nan 0.000 0.505 311 N N 0.329 119.125 118.700 0.159 0.000 2.188 311 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 311 N C 2.304 177.913 175.510 0.166 0.000 1.018 311 N CA 1.319 54.476 53.050 0.177 0.000 0.858 311 N CB -1.024 37.526 38.487 0.106 0.000 0.989 311 N HN 0.330 nan 8.380 nan 0.000 0.426 312 G N 1.006 109.843 108.800 0.063 0.000 2.418 312 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 312 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 312 G C 1.640 176.616 174.900 0.127 0.000 1.158 312 G CA 0.403 45.530 45.100 0.044 0.000 0.771 312 G HN 0.235 nan 8.290 nan 0.000 0.545 313 L N -0.837 120.492 121.223 0.177 0.000 2.072 313 L HA 0.094 4.434 4.340 -0.000 0.000 0.205 313 L C 2.537 179.584 176.870 0.295 0.000 1.079 313 L CA 0.846 55.855 54.840 0.281 0.000 0.752 313 L CB -0.390 41.875 42.059 0.343 0.000 0.906 313 L HN 0.298 nan 8.230 nan 0.000 0.436 314 F N 0.617 120.631 119.950 0.106 0.000 2.146 314 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 314 F C 2.467 178.301 175.800 0.056 0.000 1.096 314 F CA 1.839 59.875 58.000 0.060 0.000 1.275 314 F CB -0.165 38.872 39.000 0.061 0.000 1.008 314 F HN -0.079 nan 8.300 nan 0.000 0.480 315 T N -0.188 114.368 114.554 0.003 0.000 2.684 315 T HA -0.304 4.046 4.350 -0.000 0.000 0.267 315 T C 1.542 176.186 174.700 -0.093 0.000 1.036 315 T CA 2.005 64.024 62.100 -0.135 0.000 1.148 315 T CB -0.819 68.047 68.868 -0.004 0.000 0.863 315 T HN 0.552 nan 8.240 nan 0.000 0.436 316 Y N 2.020 122.259 120.300 -0.102 0.000 2.145 316 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 316 Y C 2.465 178.265 175.900 -0.167 0.000 1.145 316 Y CA 1.332 59.363 58.100 -0.115 0.000 1.148 316 Y CB -0.285 38.153 38.460 -0.036 0.000 0.981 316 Y HN 0.108 nan 8.280 nan 0.000 0.507 317 V N -2.724 117.136 119.914 -0.091 0.000 2.490 317 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 317 V C 1.943 177.900 176.094 -0.228 0.000 1.061 317 V CA 1.666 63.886 62.300 -0.133 0.000 1.064 317 V CB -1.340 30.533 31.823 0.083 0.000 0.670 317 V HN 0.283 nan 8.190 nan 0.000 0.461 318 V N 0.704 120.460 119.914 -0.264 0.000 2.307 318 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 318 V C 2.778 178.725 176.094 -0.245 0.000 1.045 318 V CA 2.392 64.553 62.300 -0.230 0.000 1.024 318 V CB -0.740 30.860 31.823 -0.371 0.000 0.651 318 V HN 0.585 nan 8.190 nan 0.000 0.449 319 E N -0.300 119.718 120.200 -0.303 0.000 2.118 319 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 319 E C 2.225 178.579 176.600 -0.410 0.000 0.992 319 E CA 1.110 57.332 56.400 -0.297 0.000 0.804 319 E CB -0.103 29.447 29.700 -0.250 0.000 0.741 319 E HN 0.538 nan 8.360 nan 0.000 0.458 320 Q N -0.836 118.551 119.800 -0.689 0.000 2.432 320 Q HA 0.012 4.352 4.340 -0.000 0.000 0.205 320 Q C 1.274 176.907 176.000 -0.611 0.000 0.945 320 Q CA 0.877 56.114 55.803 -0.944 0.000 0.924 320 Q CB 0.849 28.339 28.738 -2.081 0.000 1.016 320 Q HN 0.443 nan 8.270 nan 0.000 0.503 321 G N 0.325 108.930 108.800 -0.325 0.000 2.153 321 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.252 321 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.252 321 G C -0.365 174.618 174.900 0.138 0.000 0.994 321 G CA 0.078 45.132 45.100 -0.075 0.000 0.698 321 G HN 0.271 nan 8.290 nan 0.000 0.521 322 W N 1.289 122.566 121.300 -0.039 0.000 1.694 322 W HA 0.606 5.266 4.660 -0.000 0.000 0.425 322 W C 1.034 177.581 176.519 0.046 0.000 0.615 322 W CA -0.852 56.509 57.345 0.028 0.000 2.237 322 W CB -1.256 28.247 29.460 0.071 0.000 1.478 322 W HN 0.522 nan 8.180 nan 0.000 0.427 323 I N -2.334 118.367 120.570 0.218 0.000 3.174 323 I HA 0.522 4.692 4.170 -0.000 0.000 0.313 323 I C -0.513 175.679 176.117 0.124 0.000 1.155 323 I CA -1.066 60.321 61.300 0.145 0.000 0.977 323 I CB 2.549 40.587 38.000 0.064 0.000 1.248 323 I HN -0.345 nan 8.210 nan 0.000 0.453 324 D N 2.315 122.798 120.400 0.138 0.000 2.493 324 D HA 0.262 4.902 4.640 -0.000 0.000 0.235 324 D C 0.556 176.922 176.300 0.109 0.000 1.117 324 D CA -0.240 53.860 54.000 0.167 0.000 0.930 324 D CB 1.092 42.054 40.800 0.271 0.000 1.010 324 D HN 0.551 nan 8.370 nan 0.000 0.514 325 K N 2.029 122.443 120.400 0.024 0.000 2.063 325 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 325 K C -0.921 175.664 176.600 -0.025 0.000 1.048 325 K CA 1.195 57.446 56.287 -0.059 0.000 0.928 325 K CB -0.405 32.059 32.500 -0.060 0.000 0.713 325 K HN 0.333 nan 8.250 nan 0.000 0.442 326 P HA -0.150 nan 4.420 nan 0.000 0.217 326 P C 1.101 178.433 177.300 0.053 0.000 1.150 326 P CA 0.899 64.023 63.100 0.040 0.000 0.832 326 P CB 0.031 31.779 31.700 0.081 0.000 0.787 327 F N 0.229 120.167 119.950 -0.020 0.000 2.113 327 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 327 F C 1.985 177.765 175.800 -0.034 0.000 1.103 327 F CA 1.377 59.349 58.000 -0.045 0.000 1.248 327 F CB -0.844 38.008 39.000 -0.247 0.000 0.999 327 F HN -0.249 nan 8.300 nan 0.000 0.475 328 I N 0.270 120.764 120.570 -0.128 0.000 2.163 328 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 328 I C 2.422 178.413 176.117 -0.211 0.000 1.085 328 I CA 1.457 62.638 61.300 -0.198 0.000 1.347 328 I CB -0.574 37.247 38.000 -0.300 0.000 1.044 328 I HN 0.143 nan 8.210 nan 0.000 0.408 329 E N 0.738 120.830 120.200 -0.180 0.000 2.110 329 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 329 E C 2.223 178.709 176.600 -0.191 0.000 0.988 329 E CA 1.606 57.917 56.400 -0.149 0.000 0.804 329 E CB -0.131 29.504 29.700 -0.109 0.000 0.745 329 E HN 0.534 nan 8.360 nan 0.000 0.458 330 A N 0.072 122.717 122.820 -0.292 0.000 2.030 330 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 330 A C 1.350 178.561 177.584 -0.621 0.000 1.164 330 A CA 0.638 52.396 52.037 -0.465 0.000 0.697 330 A CB -0.029 18.604 19.000 -0.611 0.000 0.827 330 A HN 0.160 nan 8.150 nan 0.000 0.457 331 H N -0.535 118.343 119.070 -0.320 0.000 2.916 331 H HA 0.202 4.758 4.556 -0.000 0.000 0.262 331 H C -0.058 175.081 175.328 -0.315 0.000 1.178 331 H CA 0.863 56.724 56.048 -0.312 0.000 1.090 331 H CB 0.265 29.760 29.762 -0.445 0.000 1.657 331 H HN 0.554 nan 8.280 nan 0.000 0.601 332 T N -1.904 112.550 114.554 -0.168 0.000 2.841 332 T HA 0.582 4.932 4.350 -0.000 0.000 0.296 332 T C -0.771 173.980 174.700 0.084 0.000 1.166 332 T CA -0.982 61.089 62.100 -0.047 0.000 1.007 332 T CB 3.696 72.590 68.868 0.043 0.000 1.253 332 T HN 0.140 nan 8.240 nan 0.000 0.511 333 K N -0.516 119.994 120.400 0.183 0.000 2.498 333 K HA 0.553 4.873 4.320 -0.000 0.000 0.254 333 K C 0.536 177.262 176.600 0.210 0.000 0.933 333 K CA -0.090 56.264 56.287 0.112 0.000 0.806 333 K CB 1.226 33.688 32.500 -0.064 0.000 1.301 333 K HN 1.449 nan 8.250 nan 0.000 0.432 334 G N 3.153 112.026 108.800 0.122 0.000 2.159 334 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.227 334 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.227 334 G C 0.306 175.178 174.900 -0.046 0.000 0.986 334 G CA 0.294 45.447 45.100 0.088 0.000 0.651 334 G HN 0.637 nan 8.290 nan 0.000 0.523 335 F N 2.081 121.800 119.950 -0.385 0.000 2.046 335 F HA -0.049 4.478 4.527 -0.000 0.000 0.297 335 F C 2.215 177.772 175.800 -0.405 0.000 1.123 335 F CA 2.540 59.997 58.000 -0.905 0.000 1.199 335 F CB -0.115 38.435 39.000 -0.751 0.000 0.972 335 F HN 0.175 nan 8.300 nan 0.000 0.474 336 D N 0.288 120.489 120.400 -0.331 0.000 2.123 336 D HA -0.193 4.447 4.640 -0.000 0.000 0.196 336 D C 1.877 177.999 176.300 -0.297 0.000 0.992 336 D CA 1.641 55.431 54.000 -0.351 0.000 0.833 336 D CB -0.609 40.122 40.800 -0.115 0.000 0.954 336 D HN 0.383 nan 8.370 nan 0.000 0.455 337 D N 0.701 120.986 120.400 -0.193 0.000 2.117 337 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 337 D C 2.082 178.308 176.300 -0.124 0.000 0.987 337 D CA 1.201 55.128 54.000 -0.122 0.000 0.829 337 D CB -0.276 40.485 40.800 -0.065 0.000 0.961 337 D HN 0.140 nan 8.370 nan 0.000 0.460 338 A N 0.669 123.393 122.820 -0.160 0.000 1.933 338 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 338 A C 2.535 180.137 177.584 0.031 0.000 1.175 338 A CA 1.080 53.079 52.037 -0.064 0.000 0.628 338 A CB -0.720 18.242 19.000 -0.063 0.000 0.814 338 A HN 0.142 nan 8.150 nan 0.000 0.444 339 V N 0.138 119.933 119.914 -0.198 0.000 2.392 339 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 339 V C 2.458 178.471 176.094 -0.135 0.000 1.059 339 V CA 2.473 64.615 62.300 -0.263 0.000 1.051 339 V CB -0.655 30.791 31.823 -0.627 0.000 0.658 339 V HN 0.579 nan 8.190 nan 0.000 0.455 340 K N 0.301 120.624 120.400 -0.128 0.000 2.031 340 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 340 K C 2.281 178.868 176.600 -0.022 0.000 1.049 340 K CA 1.811 58.054 56.287 -0.074 0.000 0.939 340 K CB -0.570 31.886 32.500 -0.074 0.000 0.717 340 K HN 0.674 nan 8.250 nan 0.000 0.438 341 T N -0.293 114.257 114.554 -0.007 0.000 2.867 341 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 341 T C 1.333 176.068 174.700 0.057 0.000 1.057 341 T CA 1.143 63.257 62.100 0.023 0.000 1.136 341 T CB -0.169 68.713 68.868 0.023 0.000 0.874 341 T HN 0.004 nan 8.240 nan 0.000 0.466 342 N N 0.719 119.472 118.700 0.089 0.000 2.270 342 N HA 0.192 4.932 4.740 -0.000 0.000 0.198 342 N C 0.310 175.904 175.510 0.140 0.000 1.117 342 N CA -0.148 52.985 53.050 0.139 0.000 0.845 342 N CB -0.172 38.432 38.487 0.194 0.000 0.980 342 N HN 0.470 nan 8.380 nan 0.000 0.486 343 R N 1.206 121.750 120.500 0.074 0.000 2.502 343 R HA 0.131 4.471 4.340 -0.000 0.000 0.292 343 R C -0.978 175.349 176.300 0.045 0.000 0.998 343 R CA 0.162 56.283 56.100 0.036 0.000 1.056 343 R CB 0.056 30.352 30.300 -0.006 0.000 0.939 343 R HN 0.010 nan 8.270 nan 0.000 0.411 344 L N 3.654 124.898 121.223 0.036 0.000 2.588 344 L HA 0.236 4.576 4.340 -0.000 0.000 0.263 344 L C -0.744 176.130 176.870 0.007 0.000 0.935 344 L CA -0.172 54.681 54.840 0.022 0.000 0.891 344 L CB 2.074 44.143 42.059 0.017 0.000 1.318 344 L HN 0.774 nan 8.230 nan 0.000 0.409 345 S N 4.242 119.939 115.700 -0.004 0.000 2.593 345 S HA 0.304 4.774 4.470 -0.000 0.000 0.269 345 S C 1.303 175.884 174.600 -0.032 0.000 1.334 345 S CA -0.574 57.619 58.200 -0.011 0.000 1.015 345 S CB 0.735 63.927 63.200 -0.013 0.000 0.912 345 S HN 0.755 nan 8.310 nan 0.000 0.541 346 L N 0.502 121.698 121.223 -0.045 0.000 2.083 346 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 346 L C 2.087 178.906 176.870 -0.086 0.000 1.083 346 L CA 1.428 56.212 54.840 -0.094 0.000 0.752 346 L CB -0.708 41.251 42.059 -0.167 0.000 0.899 346 L HN 0.705 nan 8.230 nan 0.000 0.433 347 D N -0.196 120.168 120.400 -0.062 0.000 2.097 347 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 347 D C 2.088 178.357 176.300 -0.052 0.000 0.989 347 D CA 1.130 55.098 54.000 -0.053 0.000 0.827 347 D CB 0.073 40.851 40.800 -0.036 0.000 0.966 347 D HN 0.172 nan 8.370 nan 0.000 0.456 348 E N 0.316 120.489 120.200 -0.045 0.000 2.072 348 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 348 E C 2.126 178.677 176.600 -0.081 0.000 0.985 348 E CA 0.517 56.891 56.400 -0.042 0.000 0.801 348 E CB -0.693 28.995 29.700 -0.020 0.000 0.750 348 E HN 0.241 nan 8.360 nan 0.000 0.452 349 C N -0.305 118.935 119.300 -0.100 0.000 2.398 349 C HA -0.154 4.306 4.460 -0.000 0.000 0.276 349 C C 2.969 177.869 174.990 -0.150 0.000 1.222 349 C CA 1.938 60.866 59.018 -0.150 0.000 1.746 349 C CB -1.323 26.342 27.740 -0.125 0.000 2.039 349 C HN 0.542 nan 8.230 nan 0.000 0.470 350 S N 0.603 116.234 115.700 -0.116 0.000 2.368 350 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 350 S C 1.750 176.296 174.600 -0.090 0.000 1.030 350 S CA 1.963 60.100 58.200 -0.105 0.000 0.999 350 S CB -0.610 62.536 63.200 -0.090 0.000 0.844 350 S HN 0.754 nan 8.310 nan 0.000 0.459 351 N N 1.282 119.937 118.700 -0.074 0.000 2.166 351 N HA 0.017 4.757 4.740 -0.000 0.000 0.186 351 N C 1.714 177.190 175.510 -0.057 0.000 1.019 351 N CA 1.426 54.444 53.050 -0.052 0.000 0.856 351 N CB -0.446 38.022 38.487 -0.031 0.000 0.993 351 N HN 0.495 nan 8.380 nan 0.000 0.426 352 I N 0.397 120.912 120.570 -0.092 0.000 2.235 352 I HA -0.179 3.991 4.170 -0.000 0.000 0.241 352 I C 2.281 178.309 176.117 -0.148 0.000 1.085 352 I CA 1.349 62.581 61.300 -0.115 0.000 1.378 352 I CB -0.448 37.395 38.000 -0.261 0.000 1.076 352 I HN 0.210 nan 8.210 nan 0.000 0.415 353 T N -2.012 112.426 114.554 -0.193 0.000 3.043 353 T HA 0.145 4.495 4.350 -0.000 0.000 0.263 353 T C 1.698 176.326 174.700 -0.119 0.000 1.094 353 T CA 0.689 62.681 62.100 -0.179 0.000 1.127 353 T CB 0.149 68.893 68.868 -0.207 0.000 0.905 353 T HN 0.552 nan 8.240 nan 0.000 0.490 354 G N 0.612 109.353 108.800 -0.099 0.000 2.179 354 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 354 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 354 G C 0.096 174.944 174.900 -0.086 0.000 0.977 354 G CA 0.063 45.117 45.100 -0.077 0.000 0.641 354 G HN 0.742 nan 8.290 nan 0.000 0.533 355 V N 2.154 122.005 119.914 -0.104 0.000 2.498 355 V HA 0.414 4.534 4.120 -0.000 0.000 0.279 355 V C -1.409 174.625 176.094 -0.099 0.000 1.048 355 V CA -1.381 60.855 62.300 -0.107 0.000 0.967 355 V CB 1.459 33.212 31.823 -0.117 0.000 0.988 355 V HN 0.084 nan 8.190 nan 0.000 0.473 356 P HA 0.080 nan 4.420 nan 0.000 0.269 356 P C 1.043 178.285 177.300 -0.097 0.000 1.209 356 P CA -0.001 63.050 63.100 -0.082 0.000 0.776 356 P CB 0.704 32.362 31.700 -0.071 0.000 0.876 357 V N 2.544 122.401 119.914 -0.094 0.000 2.324 357 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 357 V C 1.802 177.820 176.094 -0.127 0.000 1.060 357 V CA 2.650 64.879 62.300 -0.117 0.000 1.042 357 V CB -1.425 30.337 31.823 -0.101 0.000 0.650 357 V HN 0.693 nan 8.190 nan 0.000 0.450 358 D N -0.522 119.822 120.400 -0.094 0.000 2.144 358 D HA -0.246 4.394 4.640 -0.000 0.000 0.199 358 D C 1.990 178.223 176.300 -0.112 0.000 0.984 358 D CA 1.560 55.511 54.000 -0.083 0.000 0.834 358 D CB -0.434 40.335 40.800 -0.051 0.000 0.955 358 D HN 0.393 nan 8.370 nan 0.000 0.465 359 M N -0.205 119.319 119.600 -0.126 0.000 2.132 359 M HA -0.012 4.468 4.480 -0.000 0.000 0.263 359 M C 2.226 178.420 176.300 -0.176 0.000 1.065 359 M CA 1.049 56.248 55.300 -0.168 0.000 1.122 359 M CB -0.200 32.311 32.600 -0.149 0.000 1.365 359 M HN 0.084 nan 8.290 nan 0.000 0.411 360 L N -0.093 121.045 121.223 -0.142 0.000 2.017 360 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 360 L C 2.426 179.225 176.870 -0.118 0.000 1.073 360 L CA 1.411 56.185 54.840 -0.110 0.000 0.745 360 L CB -0.708 41.267 42.059 -0.141 0.000 0.894 360 L HN 0.266 nan 8.230 nan 0.000 0.432 361 K N -0.201 120.079 120.400 -0.199 0.000 2.097 361 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 361 K C 2.274 178.905 176.600 0.052 0.000 1.049 361 K CA 1.242 57.443 56.287 -0.143 0.000 0.933 361 K CB -0.189 32.236 32.500 -0.126 0.000 0.717 361 K HN 0.203 nan 8.250 nan 0.000 0.442 362 R N 0.819 121.255 120.500 -0.107 0.000 2.092 362 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 362 R C 2.231 178.242 176.300 -0.480 0.000 1.119 362 R CA 1.201 57.135 56.100 -0.277 0.000 0.970 362 R CB -0.148 29.895 30.300 -0.428 0.000 0.864 362 R HN 0.174 nan 8.270 nan 0.000 0.440 363 A N 0.802 123.414 122.820 -0.347 0.000 1.902 363 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 363 A C 2.339 180.020 177.584 0.162 0.000 1.181 363 A CA 1.712 53.607 52.037 -0.237 0.000 0.623 363 A CB -0.772 18.191 19.000 -0.061 0.000 0.818 363 A HN 0.522 nan 8.150 nan 0.000 0.443 364 A N -0.438 122.607 122.820 0.376 0.000 1.930 364 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 364 A C 2.038 179.942 177.584 0.534 0.000 1.175 364 A CA 1.784 54.244 52.037 0.704 0.000 0.627 364 A CB -0.507 19.076 19.000 0.972 0.000 0.815 364 A HN 0.699 nan 8.150 nan 0.000 0.443 365 E N -1.225 119.217 120.200 0.403 0.000 2.051 365 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 365 E C 1.747 178.414 176.600 0.112 0.000 0.991 365 E CA 1.397 57.885 56.400 0.146 0.000 0.799 365 E CB -0.247 29.610 29.700 0.262 0.000 0.748 365 E HN 0.727 nan 8.360 nan 0.000 0.449 366 W N 0.807 122.070 121.300 -0.061 0.000 2.363 366 W HA -0.059 4.601 4.660 -0.000 0.000 0.296 366 W C 2.544 178.952 176.519 -0.186 0.000 1.212 366 W CA 1.168 58.440 57.345 -0.122 0.000 1.260 366 W CB -0.828 28.566 29.460 -0.111 0.000 1.131 366 W HN 0.104 nan 8.180 nan 0.000 0.530 367 S N -2.224 113.471 115.700 -0.009 0.000 2.470 367 S HA -0.020 4.450 4.470 -0.000 0.000 0.222 367 S C 1.009 175.294 174.600 -0.526 0.000 1.024 367 S CA 0.787 58.764 58.200 -0.372 0.000 0.931 367 S CB -0.122 62.655 63.200 -0.705 0.000 0.791 367 S HN 0.228 nan 8.310 nan 0.000 0.513 368 Y N 0.529 120.905 120.300 0.127 0.000 2.437 368 Y HA 0.421 4.971 4.550 -0.000 0.000 0.266 368 Y C 0.509 176.281 175.900 -0.212 0.000 1.077 368 Y CA -1.114 57.036 58.100 0.084 0.000 1.235 368 Y CB 0.036 38.677 38.460 0.301 0.000 1.303 368 Y HN -0.031 nan 8.280 nan 0.000 0.536 369 K N 3.373 123.432 120.400 -0.568 0.000 2.412 369 K HA 0.149 4.469 4.320 -0.000 0.000 0.281 369 K C -2.683 173.591 176.600 -0.544 0.000 1.027 369 K CA -1.612 53.915 56.287 -1.265 0.000 0.989 369 K CB 0.476 31.986 32.500 -1.651 0.000 0.935 369 K HN -0.117 nan 8.250 nan 0.000 0.475 370 P HA -0.054 nan 4.420 nan 0.000 0.266 370 P C -0.888 176.298 177.300 -0.192 0.000 1.195 370 P CA 0.249 63.231 63.100 -0.196 0.000 0.768 370 P CB 0.503 32.143 31.700 -0.100 0.000 0.838 371 K N 1.624 121.921 120.400 -0.171 0.000 2.180 371 K HA 0.282 4.602 4.320 -0.000 0.000 0.251 371 K C 1.459 177.978 176.600 -0.135 0.000 1.014 371 K CA -0.238 55.946 56.287 -0.171 0.000 0.913 371 K CB 0.266 32.636 32.500 -0.216 0.000 1.008 371 K HN 0.352 nan 8.250 nan 0.000 0.490 372 A N 1.035 123.783 122.820 -0.120 0.000 1.978 372 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 372 A C 1.989 179.523 177.584 -0.084 0.000 1.170 372 A CA 2.154 54.139 52.037 -0.086 0.000 0.636 372 A CB -0.725 18.231 19.000 -0.073 0.000 0.810 372 A HN 0.750 nan 8.150 nan 0.000 0.448 373 S N -2.259 113.373 115.700 -0.113 0.000 2.555 373 S HA 0.341 4.811 4.470 -0.000 0.000 0.230 373 S C 1.480 176.026 174.600 -0.090 0.000 0.978 373 S CA 1.160 59.299 58.200 -0.102 0.000 0.934 373 S CB -0.122 62.996 63.200 -0.137 0.000 0.766 373 S HN 1.813 nan 8.310 nan 0.000 0.533 374 G N -0.031 108.712 108.800 -0.094 0.000 2.352 374 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.204 374 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.204 374 G C -0.157 174.695 174.900 -0.080 0.000 1.004 374 G CA -0.339 44.719 45.100 -0.070 0.000 0.648 374 G HN 0.538 nan 8.290 nan 0.000 0.491 375 Q N 1.215 120.942 119.800 -0.122 0.000 2.340 375 Q HA 0.721 5.061 4.340 -0.000 0.000 0.249 375 Q C 0.564 176.483 176.000 -0.136 0.000 0.957 375 Q CA 0.543 56.264 55.803 -0.136 0.000 0.882 375 Q CB 1.246 29.861 28.738 -0.204 0.000 1.235 375 Q HN 0.931 nan 8.270 nan 0.000 0.439 376 A N 3.088 125.846 122.820 -0.103 0.000 2.407 376 A HA 0.455 4.774 4.320 -0.000 0.000 0.248 376 A C -2.155 175.369 177.584 -0.101 0.000 1.082 376 A CA -1.260 50.734 52.037 -0.072 0.000 0.785 376 A CB -0.346 18.654 19.000 -0.001 0.000 1.020 376 A HN 0.510 nan 8.150 nan 0.000 0.489 377 P HA 0.128 nan 4.420 nan 0.000 0.268 377 P C -0.601 176.671 177.300 -0.046 0.000 1.208 377 P CA 0.159 63.208 63.100 -0.086 0.000 0.777 377 P CB 0.371 32.022 31.700 -0.083 0.000 0.875 378 R N 1.024 121.503 120.500 -0.034 0.000 2.198 378 R HA 0.391 4.731 4.340 -0.000 0.000 0.339 378 R C -0.411 175.893 176.300 0.007 0.000 1.020 378 R CA -0.090 56.000 56.100 -0.016 0.000 0.864 378 R CB 0.269 30.567 30.300 -0.004 0.000 1.105 378 R HN 0.384 nan 8.270 nan 0.000 0.463 379 T N 4.114 118.696 114.554 0.048 0.000 2.833 379 T HA 0.225 4.575 4.350 -0.000 0.000 0.297 379 T C -0.303 174.440 174.700 0.071 0.000 1.015 379 T CA -0.520 61.598 62.100 0.031 0.000 0.963 379 T CB 0.989 69.876 68.868 0.031 0.000 0.955 379 T HN 0.383 nan 8.240 nan 0.000 0.449 380 M N 4.186 123.783 119.600 -0.006 0.000 2.120 380 M HA 0.309 4.789 4.480 -0.000 0.000 0.354 380 M C -0.991 175.324 176.300 0.025 0.000 1.287 380 M CA -0.328 54.999 55.300 0.046 0.000 1.103 380 M CB 0.171 32.737 32.600 -0.057 0.000 1.623 380 M HN 0.607 nan 8.290 nan 0.000 0.471 381 H N 3.940 123.060 119.070 0.084 0.000 2.661 381 H HA 0.554 5.110 4.556 -0.000 0.000 0.290 381 H C -0.531 174.916 175.328 0.199 0.000 1.082 381 H CA -0.350 55.769 56.048 0.118 0.000 1.234 381 H CB 0.825 30.577 29.762 -0.017 0.000 1.387 381 H HN 0.730 nan 8.280 nan 0.000 0.476 382 A N 3.704 126.712 122.820 0.313 0.000 2.305 382 A HA 0.637 4.957 4.320 -0.000 0.000 0.322 382 A C -1.137 176.659 177.584 0.352 0.000 1.187 382 A CA -0.705 51.505 52.037 0.289 0.000 0.825 382 A CB 0.285 19.503 19.000 0.364 0.000 1.164 382 A HN 0.725 nan 8.150 nan 0.000 0.498 383 Y N -0.613 119.816 120.300 0.216 0.000 2.588 383 Y HA 0.879 5.429 4.550 -0.000 0.000 0.343 383 Y C -0.315 175.663 175.900 0.131 0.000 1.065 383 Y CA -0.927 57.281 58.100 0.181 0.000 1.038 383 Y CB 1.242 39.775 38.460 0.121 0.000 1.297 383 Y HN 0.657 nan 8.280 nan 0.000 0.467 384 E N 0.320 120.661 120.200 0.235 0.000 3.611 384 E HA 0.408 4.758 4.350 -0.000 0.000 0.111 384 E C 0.430 177.070 176.600 0.066 0.000 1.120 384 E CA -0.311 56.134 56.400 0.075 0.000 0.766 384 E CB 0.336 30.048 29.700 0.020 0.000 1.996 384 E HN 0.448 nan 8.360 nan 0.000 0.453 385 K N 0.212 120.586 120.400 -0.044 0.000 2.365 385 K HA 0.129 4.449 4.320 -0.000 0.000 0.199 385 K C 1.644 178.317 176.600 0.122 0.000 1.045 385 K CA 0.947 57.147 56.287 -0.144 0.000 0.962 385 K CB -0.471 31.870 32.500 -0.265 0.000 0.759 385 K HN 0.493 nan 8.250 nan 0.000 0.469 386 G N 1.741 110.667 108.800 0.210 0.000 2.448 386 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 386 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 386 G C 1.546 176.640 174.900 0.322 0.000 1.127 386 G CA 0.918 46.205 45.100 0.311 0.000 0.766 386 G HN 0.464 nan 8.290 nan 0.000 0.552 387 I N -3.247 117.481 120.570 0.265 0.000 3.790 387 I HA 0.355 4.525 4.170 -0.000 0.000 0.305 387 I C 2.318 178.542 176.117 0.179 0.000 1.253 387 I CA -0.069 61.367 61.300 0.226 0.000 1.355 387 I CB -0.029 38.083 38.000 0.188 0.000 1.137 387 I HN -0.038 nan 8.210 nan 0.000 0.435 388 I N 0.737 121.375 120.570 0.114 0.000 2.226 388 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 388 I C 1.216 177.463 176.117 0.215 0.000 1.100 388 I CA 2.013 63.316 61.300 0.004 0.000 1.374 388 I CB -0.155 37.676 38.000 -0.282 0.000 1.057 388 I HN 0.348 nan 8.210 nan 0.000 0.413 389 W N 0.947 122.414 121.300 0.278 0.000 3.086 389 W HA 0.351 5.011 4.660 -0.000 0.000 0.436 389 W C 1.047 177.832 176.519 0.443 0.000 0.939 389 W CA -0.884 56.691 57.345 0.383 0.000 2.108 389 W CB -0.007 29.723 29.460 0.451 0.000 1.093 389 W HN -0.036 nan 8.180 nan 0.000 0.783 390 G N 0.718 109.806 108.800 0.481 0.000 2.641 390 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.239 390 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.239 390 G C -0.454 174.202 174.900 -0.406 0.000 1.402 390 G CA -0.670 44.583 45.100 0.255 0.000 1.046 390 G HN -0.016 nan 8.290 nan 0.000 0.565 391 N N 1.113 119.347 118.700 -0.776 0.000 2.549 391 N HA 0.139 4.879 4.740 -0.000 0.000 0.267 391 N C -0.421 174.963 175.510 -0.211 0.000 1.182 391 N CA 0.181 52.658 53.050 -0.956 0.000 1.019 391 N CB -0.352 37.812 38.487 -0.538 0.000 1.380 391 N HN 0.434 nan 8.380 nan 0.000 0.505 392 D N 1.623 122.055 120.400 0.053 0.000 3.975 392 D HA -0.187 4.453 4.640 -0.000 0.000 0.251 392 D C 0.792 177.230 176.300 0.230 0.000 1.046 392 D CA 0.163 54.350 54.000 0.311 0.000 1.135 392 D CB -1.026 39.936 40.800 0.271 0.000 0.911 392 D HN 0.686 nan 8.370 nan 0.000 0.415 393 N N 1.629 120.481 118.700 0.253 0.000 2.049 393 N HA -0.286 4.454 4.740 -0.000 0.000 0.198 393 N C 1.674 177.281 175.510 0.161 0.000 1.030 393 N CA 2.163 55.335 53.050 0.203 0.000 0.870 393 N CB -0.436 38.200 38.487 0.249 0.000 1.045 393 N HN 0.668 nan 8.380 nan 0.000 0.434 394 Y N 1.072 121.430 120.300 0.097 0.000 2.181 394 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 394 Y C 2.542 178.468 175.900 0.044 0.000 1.146 394 Y CA 1.639 59.779 58.100 0.066 0.000 1.164 394 Y CB -0.306 38.192 38.460 0.063 0.000 0.982 394 Y HN -0.071 nan 8.280 nan 0.000 0.515 395 V N 0.080 120.125 119.914 0.219 0.000 2.379 395 V HA -0.287 3.833 4.120 -0.000 0.000 0.245 395 V C 2.266 178.397 176.094 0.061 0.000 1.044 395 V CA 1.938 64.326 62.300 0.146 0.000 1.036 395 V CB -0.550 31.392 31.823 0.199 0.000 0.664 395 V HN 0.399 nan 8.190 nan 0.000 0.453 396 I N -0.372 120.243 120.570 0.075 0.000 2.179 396 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 396 I C 2.679 178.741 176.117 -0.091 0.000 1.088 396 I CA 1.653 62.989 61.300 0.061 0.000 1.357 396 I CB -0.413 37.643 38.000 0.094 0.000 1.051 396 I HN 0.344 nan 8.210 nan 0.000 0.409 397 Q N 0.152 119.843 119.800 -0.183 0.000 2.124 397 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 397 Q C 2.461 178.256 176.000 -0.342 0.000 0.977 397 Q CA 1.714 57.316 55.803 -0.336 0.000 0.850 397 Q CB -0.046 28.487 28.738 -0.341 0.000 0.901 397 Q HN 0.451 nan 8.270 nan 0.000 0.429 398 S N 0.681 116.199 115.700 -0.303 0.000 2.359 398 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 398 S C 2.019 176.475 174.600 -0.240 0.000 1.035 398 S CA 1.163 59.197 58.200 -0.277 0.000 1.018 398 S CB -0.281 62.798 63.200 -0.202 0.000 0.876 398 S HN 0.518 nan 8.310 nan 0.000 0.448 399 A N 1.153 123.876 122.820 -0.162 0.000 1.877 399 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 399 A C 2.154 179.590 177.584 -0.246 0.000 1.186 399 A CA 1.465 53.427 52.037 -0.125 0.000 0.620 399 A CB -0.704 18.337 19.000 0.068 0.000 0.822 399 A HN 0.426 nan 8.150 nan 0.000 0.443 400 L N -0.699 120.286 121.223 -0.397 0.000 2.056 400 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 400 L C 2.030 178.556 176.870 -0.573 0.000 1.078 400 L CA 1.478 55.880 54.840 -0.728 0.000 0.749 400 L CB -0.336 41.128 42.059 -0.992 0.000 0.901 400 L HN 0.246 nan 8.230 nan 0.000 0.433 401 L N -0.446 120.490 121.223 -0.479 0.000 2.201 401 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 401 L C 2.163 178.759 176.870 -0.458 0.000 1.105 401 L CA 1.332 55.907 54.840 -0.441 0.000 0.775 401 L CB -1.486 40.338 42.059 -0.393 0.000 0.913 401 L HN 0.353 nan 8.230 nan 0.000 0.440 402 D N -0.230 119.900 120.400 -0.451 0.000 2.097 402 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 402 D C 2.165 178.282 176.300 -0.304 0.000 0.989 402 D CA 0.875 54.603 54.000 -0.453 0.000 0.827 402 D CB -0.104 40.299 40.800 -0.662 0.000 0.966 402 D HN 0.149 nan 8.370 nan 0.000 0.456 403 L N 0.737 121.773 121.223 -0.312 0.000 2.012 403 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 403 L C 2.227 178.986 176.870 -0.184 0.000 1.073 403 L CA 1.432 56.220 54.840 -0.086 0.000 0.748 403 L CB -0.575 41.409 42.059 -0.125 0.000 0.891 403 L HN -0.111 nan 8.230 nan 0.000 0.431 404 V N -0.194 119.499 119.914 -0.369 0.000 2.343 404 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 404 V C 2.511 178.502 176.094 -0.172 0.000 1.051 404 V CA 2.198 64.266 62.300 -0.386 0.000 1.036 404 V CB -0.476 31.041 31.823 -0.510 0.000 0.654 404 V HN 0.446 nan 8.190 nan 0.000 0.451 405 I N 0.384 120.832 120.570 -0.204 0.000 2.202 405 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 405 I C 2.643 178.877 176.117 0.195 0.000 1.091 405 I CA 1.368 62.588 61.300 -0.133 0.000 1.368 405 I CB -0.578 37.036 38.000 -0.643 0.000 1.058 405 I HN 0.270 nan 8.210 nan 0.000 0.410 406 A N 0.472 123.498 122.820 0.343 0.000 2.019 406 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 406 A C 2.154 179.910 177.584 0.286 0.000 1.164 406 A CA 2.197 54.550 52.037 0.527 0.000 0.644 406 A CB -0.981 18.485 19.000 0.776 0.000 0.805 406 A HN 0.531 nan 8.150 nan 0.000 0.449 407 T N -5.317 109.342 114.554 0.176 0.000 3.145 407 T HA 0.210 4.560 4.350 -0.000 0.000 0.255 407 T C 0.413 175.207 174.700 0.156 0.000 1.039 407 T CA 0.564 62.758 62.100 0.157 0.000 0.928 407 T CB -0.814 68.122 68.868 0.113 0.000 1.029 407 T HN 0.677 nan 8.240 nan 0.000 0.554 408 H N 0.897 119.907 119.070 -0.100 0.000 2.741 408 H HA -0.147 4.409 4.556 -0.000 0.000 0.305 408 H C -0.272 174.913 175.328 -0.238 0.000 1.169 408 H CA 0.201 55.977 56.048 -0.455 0.000 1.144 408 H CB -1.283 28.163 29.762 -0.527 0.000 1.397 408 H HN 0.340 nan 8.280 nan 0.000 0.409 409 N N 0.800 119.516 118.700 0.027 0.000 2.455 409 N HA 0.113 4.853 4.740 -0.000 0.000 0.258 409 N C -0.453 175.101 175.510 0.073 0.000 1.158 409 N CA 0.825 53.913 53.050 0.063 0.000 0.893 409 N CB 0.673 39.275 38.487 0.192 0.000 1.173 409 N HN 0.266 nan 8.380 nan 0.000 0.503 410 V N -4.869 115.102 119.914 0.094 0.000 2.841 410 V HA 0.833 4.953 4.120 -0.000 0.000 0.310 410 V C 1.055 177.282 176.094 0.222 0.000 1.090 410 V CA -0.533 61.884 62.300 0.195 0.000 0.930 410 V CB 1.392 33.388 31.823 0.289 0.000 1.014 410 V HN 0.170 nan 8.190 nan 0.000 0.425 411 G N 2.681 111.608 108.800 0.213 0.000 2.253 411 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.251 411 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.251 411 G C 0.368 175.307 174.900 0.066 0.000 0.998 411 G CA 0.409 45.606 45.100 0.163 0.000 0.621 411 G HN 0.873 nan 8.290 nan 0.000 0.524 412 R N 0.469 120.963 120.500 -0.010 0.000 2.474 412 R HA 0.533 4.873 4.340 -0.000 0.000 0.295 412 R C 0.238 176.541 176.300 0.005 0.000 0.980 412 R CA -1.083 54.973 56.100 -0.074 0.000 0.934 412 R CB 0.727 30.877 30.300 -0.251 0.000 1.101 412 R HN 0.047 nan 8.270 nan 0.000 0.469 413 R N 0.411 120.950 120.500 0.064 0.000 2.679 413 R HA 0.071 4.411 4.340 -0.000 0.000 0.268 413 R C 1.140 177.490 176.300 0.084 0.000 1.044 413 R CA 0.609 56.780 56.100 0.119 0.000 1.105 413 R CB -0.097 30.349 30.300 0.243 0.000 0.989 413 R HN 1.033 nan 8.270 nan 0.000 0.447 414 G N 0.229 109.080 108.800 0.084 0.000 2.159 414 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.256 414 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.256 414 G C 0.401 175.324 174.900 0.039 0.000 0.977 414 G CA 0.953 46.085 45.100 0.054 0.000 0.652 414 G HN 0.893 nan 8.290 nan 0.000 0.531 415 T N -3.031 111.557 114.554 0.057 0.000 2.572 415 T HA 0.960 5.310 4.350 -0.000 0.000 0.244 415 T C 0.688 175.461 174.700 0.122 0.000 0.860 415 T CA 0.331 62.481 62.100 0.084 0.000 1.125 415 T CB 1.985 70.894 68.868 0.069 0.000 1.491 415 T HN 2.294 nan 8.240 nan 0.000 0.532 416 G N -1.191 107.702 108.800 0.155 0.000 2.525 416 G HA2 0.263 4.223 3.960 -0.000 0.000 0.685 416 G HA3 0.263 4.223 3.960 -0.000 0.000 0.685 416 G C -0.702 174.317 174.900 0.199 0.000 1.285 416 G CA -0.491 44.715 45.100 0.177 0.000 0.849 416 G HN 1.510 nan 8.290 nan 0.000 0.653 417 C N 2.573 121.984 119.300 0.184 0.000 2.386 417 C HA 0.828 5.288 4.460 -0.000 0.000 0.318 417 C C 0.299 175.450 174.990 0.268 0.000 1.128 417 C CA 0.265 59.404 59.018 0.201 0.000 1.438 417 C CB -0.696 27.072 27.740 0.047 0.000 1.987 417 C HN 1.857 nan 8.230 nan 0.000 0.426 418 V N 4.081 124.126 119.914 0.218 0.000 2.876 418 V HA 0.663 4.783 4.120 -0.000 0.000 0.312 418 V C -0.265 175.564 176.094 -0.442 0.000 1.085 418 V CA -0.966 61.355 62.300 0.035 0.000 0.945 418 V CB 1.444 33.342 31.823 0.125 0.000 1.017 418 V HN 0.817 nan 8.190 nan 0.000 0.428 419 R N 2.556 122.741 120.500 -0.525 0.000 2.590 419 R HA 0.331 4.671 4.340 -0.000 0.000 0.274 419 R C 0.890 177.075 176.300 -0.192 0.000 1.061 419 R CA -0.474 55.228 56.100 -0.663 0.000 1.081 419 R CB 0.780 30.913 30.300 -0.277 0.000 0.984 419 R HN 0.758 nan 8.270 nan 0.000 0.448 420 M N 1.092 120.620 119.600 -0.121 0.000 2.447 420 M HA 0.080 4.560 4.480 -0.000 0.000 0.264 420 M C 0.869 177.231 176.300 0.104 0.000 1.095 420 M CA 0.897 56.256 55.300 0.098 0.000 1.125 420 M CB -0.672 31.992 32.600 0.108 0.000 1.389 420 M HN 0.937 nan 8.290 nan 0.000 0.459 421 G N -0.961 107.857 108.800 0.030 0.000 2.699 421 G HA2 0.025 3.985 3.960 -0.000 0.000 0.686 421 G HA3 0.025 3.985 3.960 -0.000 0.000 0.686 421 G C 0.115 175.058 174.900 0.071 0.000 1.301 421 G CA -0.369 44.772 45.100 0.069 0.000 0.816 421 G HN 0.443 nan 8.290 nan 0.000 0.595 422 G N -0.580 108.281 108.800 0.102 0.000 2.463 422 G HA2 0.527 4.487 3.960 -0.000 0.000 0.211 422 G HA3 0.527 4.487 3.960 -0.000 0.000 0.211 422 G C 0.440 175.405 174.900 0.108 0.000 1.881 422 G CA 0.611 45.751 45.100 0.068 0.000 0.722 422 G HN 0.932 nan 8.290 nan 0.000 0.709 423 H N 0.361 119.551 119.070 0.199 0.000 2.509 423 H HA 0.520 5.076 4.556 -0.000 0.000 0.360 423 H C 0.441 175.880 175.328 0.183 0.000 1.398 423 H CA -0.219 55.957 56.048 0.213 0.000 1.429 423 H CB 0.568 30.294 29.762 -0.061 0.000 1.611 423 H HN 0.256 nan 8.280 nan 0.000 0.606 424 Q N 0.373 120.357 119.800 0.306 0.000 2.500 424 Q HA 0.119 4.459 4.340 -0.000 0.000 0.215 424 Q C -0.262 175.857 176.000 0.198 0.000 1.062 424 Q CA -0.223 55.697 55.803 0.194 0.000 0.996 424 Q CB 0.600 29.413 28.738 0.124 0.000 1.239 424 Q HN 0.504 nan 8.270 nan 0.000 0.578 425 E N -0.710 119.560 120.200 0.117 0.000 2.221 425 E HA 0.541 4.891 4.350 -0.000 0.000 0.268 425 E C -0.676 175.840 176.600 -0.141 0.000 0.933 425 E CA -0.491 55.965 56.400 0.092 0.000 0.809 425 E CB 1.893 31.675 29.700 0.137 0.000 1.190 425 E HN 0.817 nan 8.360 nan 0.000 0.406 426 G N 2.104 110.750 108.800 -0.256 0.000 5.061 426 G HA2 0.020 3.980 3.960 -0.000 0.000 0.213 426 G HA3 0.020 3.980 3.960 -0.000 0.000 0.213 426 G C -1.391 173.216 174.900 -0.488 0.000 1.463 426 G CA -0.519 43.910 45.100 -1.118 0.000 0.617 426 G HN 0.357 nan 8.290 nan 0.000 0.289 427 Y N 1.984 122.276 120.300 -0.014 0.000 2.367 427 Y HA 0.618 5.168 4.550 -0.000 0.000 0.342 427 Y C -0.278 175.936 175.900 0.523 0.000 0.979 427 Y CA 0.106 58.376 58.100 0.285 0.000 1.161 427 Y CB 1.624 40.234 38.460 0.250 0.000 1.155 427 Y HN 0.083 nan 8.280 nan 0.000 0.503 428 T N 7.504 122.197 114.554 0.231 0.000 3.050 428 T HA 0.539 4.889 4.350 -0.000 0.000 0.310 428 T C -0.771 174.045 174.700 0.194 0.000 0.978 428 T CA -0.778 61.494 62.100 0.287 0.000 1.013 428 T CB 0.706 69.783 68.868 0.347 0.000 1.000 428 T HN 0.611 nan 8.240 nan 0.000 0.447 429 R N 2.389 122.991 120.500 0.169 0.000 2.764 429 R HA 0.530 4.870 4.340 -0.000 0.000 0.270 429 R C -3.075 173.501 176.300 0.459 0.000 1.014 429 R CA -2.136 54.117 56.100 0.256 0.000 0.904 429 R CB 2.179 32.418 30.300 -0.102 0.000 1.236 429 R HN 0.304 nan 8.270 nan 0.000 0.466 430 P HA 0.219 nan 4.420 nan 0.000 0.276 430 P C -2.527 174.980 177.300 0.345 0.000 1.261 430 P CA -1.426 61.890 63.100 0.360 0.000 0.800 430 P CB 0.204 32.038 31.700 0.224 0.000 1.066 431 P HA 0.006 nan 4.420 nan 0.000 0.269 431 P C -0.807 176.345 177.300 -0.247 0.000 1.209 431 P CA 0.109 63.256 63.100 0.078 0.000 0.776 431 P CB 0.012 31.737 31.700 0.041 0.000 0.876 432 Y N 5.919 125.895 120.300 -0.541 0.000 2.620 432 Y HA 0.107 4.657 4.550 -0.000 0.000 0.330 432 Y C -1.387 174.109 175.900 -0.673 0.000 1.186 432 Y CA -1.714 55.683 58.100 -1.172 0.000 1.467 432 Y CB 0.031 38.087 38.460 -0.673 0.000 1.262 432 Y HN 0.354 nan 8.280 nan 0.000 0.550 433 P HA 0.217 nan 4.420 nan 0.000 0.243 433 P C -0.359 176.493 177.300 -0.748 0.000 1.668 433 P CA 0.360 63.013 63.100 -0.745 0.000 0.898 433 P CB -0.160 31.231 31.700 -0.515 0.000 1.637 434 G N 0.592 108.869 108.800 -0.871 0.000 2.672 434 G HA2 0.434 4.394 3.960 -0.000 0.000 0.292 434 G HA3 0.434 4.394 3.960 -0.000 0.000 0.292 434 G C -0.398 174.479 174.900 -0.040 0.000 1.375 434 G CA -0.615 44.232 45.100 -0.422 0.000 0.890 434 G HN 0.011 nan 8.290 nan 0.000 0.476 435 D N -1.106 119.306 120.400 0.019 0.000 2.441 435 D HA 0.118 4.758 4.640 -0.000 0.000 0.210 435 D C 0.520 176.871 176.300 0.086 0.000 1.102 435 D CA 0.270 54.304 54.000 0.056 0.000 0.840 435 D CB 0.515 41.323 40.800 0.013 0.000 0.990 435 D HN 0.285 nan 8.370 nan 0.000 0.505 436 K N 0.813 121.284 120.400 0.118 0.000 2.123 436 K HA 0.336 4.656 4.320 -0.000 0.000 0.248 436 K C 0.082 176.760 176.600 0.130 0.000 0.969 436 K CA -0.961 55.386 56.287 0.099 0.000 0.882 436 K CB 1.590 34.135 32.500 0.076 0.000 1.080 436 K HN -0.100 nan 8.250 nan 0.000 0.441 437 K N 2.767 123.205 120.400 0.062 0.000 2.253 437 K HA 0.356 4.676 4.320 -0.000 0.000 0.277 437 K C -0.638 176.002 176.600 0.065 0.000 1.053 437 K CA -0.154 56.151 56.287 0.030 0.000 0.892 437 K CB 0.356 32.840 32.500 -0.027 0.000 1.102 437 K HN 0.502 nan 8.250 nan 0.000 0.469 438 I N 3.285 123.911 120.570 0.094 0.000 2.389 438 I HA 0.208 4.378 4.170 -0.000 0.000 0.288 438 I C -0.531 175.700 176.117 0.191 0.000 0.999 438 I CA -1.137 60.247 61.300 0.139 0.000 1.129 438 I CB 1.485 39.566 38.000 0.135 0.000 1.288 438 I HN 0.564 nan 8.210 nan 0.000 0.444 439 Y N 6.781 127.117 120.300 0.061 0.000 2.616 439 Y HA 0.155 4.705 4.550 -0.000 0.000 0.350 439 Y C 1.274 177.248 175.900 0.123 0.000 1.119 439 Y CA -0.758 57.381 58.100 0.066 0.000 1.467 439 Y CB 0.523 39.005 38.460 0.037 0.000 1.287 439 Y HN 0.584 nan 8.280 nan 0.000 0.504 440 I N 3.259 124.077 120.570 0.412 0.000 2.163 440 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 440 I C 1.598 177.936 176.117 0.368 0.000 1.085 440 I CA 1.392 62.916 61.300 0.375 0.000 1.347 440 I CB -0.828 37.365 38.000 0.321 0.000 1.044 440 I HN 0.639 nan 8.210 nan 0.000 0.408 441 D N 0.443 121.062 120.400 0.365 0.000 2.123 441 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 441 D C 2.282 178.619 176.300 0.062 0.000 0.992 441 D CA 0.961 55.111 54.000 0.250 0.000 0.833 441 D CB -0.221 40.750 40.800 0.285 0.000 0.954 441 D HN 0.327 nan 8.370 nan 0.000 0.455 442 Q N 0.294 119.995 119.800 -0.166 0.000 2.079 442 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 442 Q C 2.004 177.982 176.000 -0.036 0.000 0.974 442 Q CA 0.852 56.507 55.803 -0.247 0.000 0.840 442 Q CB -0.121 28.290 28.738 -0.545 0.000 0.898 442 Q HN 0.419 nan 8.270 nan 0.000 0.430 443 E N 0.637 120.889 120.200 0.085 0.000 2.077 443 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 443 E C 2.275 178.922 176.600 0.078 0.000 0.989 443 E CA 0.590 57.085 56.400 0.160 0.000 0.800 443 E CB -0.219 29.705 29.700 0.373 0.000 0.746 443 E HN 0.342 nan 8.360 nan 0.000 0.452 444 L N 0.442 121.710 121.223 0.075 0.000 2.046 444 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 444 L C 2.551 179.413 176.870 -0.013 0.000 1.077 444 L CA 0.851 55.662 54.840 -0.049 0.000 0.747 444 L CB -0.383 41.692 42.059 0.026 0.000 0.896 444 L HN 0.079 nan 8.230 nan 0.000 0.432 445 I N -0.232 120.350 120.570 0.020 0.000 2.361 445 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 445 I C 2.072 178.185 176.117 -0.007 0.000 1.133 445 I CA 1.362 62.667 61.300 0.010 0.000 1.413 445 I CB -0.236 37.765 38.000 0.002 0.000 1.073 445 I HN 0.192 nan 8.210 nan 0.000 0.424 446 K N 0.632 121.027 120.400 -0.009 0.000 2.525 446 K HA 0.104 4.424 4.320 -0.000 0.000 0.192 446 K C 1.172 177.762 176.600 -0.015 0.000 1.029 446 K CA 0.654 56.936 56.287 -0.008 0.000 1.029 446 K CB 0.219 32.721 32.500 0.003 0.000 0.814 446 K HN 0.485 nan 8.250 nan 0.000 0.503 447 G N 1.313 110.091 108.800 -0.036 0.000 2.159 447 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.227 447 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.227 447 G C -0.143 174.704 174.900 -0.088 0.000 0.986 447 G CA -0.353 44.714 45.100 -0.056 0.000 0.651 447 G HN 0.039 nan 8.290 nan 0.000 0.523 448 K N 0.685 121.024 120.400 -0.101 0.000 2.126 448 K HA 0.619 4.939 4.320 -0.000 0.000 0.257 448 K C 0.861 177.220 176.600 -0.402 0.000 1.007 448 K CA 0.596 56.815 56.287 -0.114 0.000 0.928 448 K CB 0.968 33.517 32.500 0.082 0.000 1.013 448 K HN 1.645 nan 8.250 nan 0.000 0.473 449 G N 1.164 109.797 108.800 -0.280 0.000 2.705 449 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 449 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 449 G C 0.184 174.948 174.900 -0.227 0.000 1.285 449 G CA -0.626 44.239 45.100 -0.392 0.000 0.800 449 G HN 0.479 nan 8.290 nan 0.000 0.611 450 R N 0.278 120.717 120.500 -0.102 0.000 2.167 450 R HA 0.362 4.702 4.340 -0.000 0.000 0.201 450 R C 1.310 177.586 176.300 -0.040 0.000 1.024 450 R CA 0.980 57.021 56.100 -0.098 0.000 1.053 450 R CB 0.272 30.536 30.300 -0.061 0.000 0.987 450 R HN 0.765 nan 8.270 nan 0.000 0.493 451 I N 0.825 121.384 120.570 -0.020 0.000 2.619 451 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 451 I C -1.627 174.456 176.117 -0.057 0.000 1.100 451 I CA -1.180 60.136 61.300 0.025 0.000 1.043 451 I CB 2.026 40.029 38.000 0.005 0.000 1.239 451 I HN -0.114 nan 8.210 nan 0.000 0.420 452 M N 6.907 126.464 119.600 -0.071 0.000 2.259 452 M HA 0.501 4.981 4.480 -0.000 0.000 0.304 452 M C -1.621 174.544 176.300 -0.226 0.000 1.019 452 M CA 0.101 55.272 55.300 -0.216 0.000 0.922 452 M CB 1.757 34.165 32.600 -0.320 0.000 1.600 452 M HN 0.476 nan 8.290 nan 0.000 0.433 453 T N 4.794 119.158 114.554 -0.317 0.000 2.770 453 T HA 0.424 4.774 4.350 -0.000 0.000 0.283 453 T C -1.308 173.369 174.700 -0.038 0.000 0.988 453 T CA -0.271 61.776 62.100 -0.089 0.000 0.957 453 T CB 0.625 69.498 68.868 0.007 0.000 0.930 453 T HN 0.569 nan 8.240 nan 0.000 0.443 454 W N 3.564 124.961 121.300 0.161 0.000 2.331 454 W HA 0.302 4.962 4.660 0.000 0.000 0.306 454 W C -0.780 175.914 176.519 0.292 0.000 1.162 454 W CA -0.833 56.644 57.345 0.220 0.000 1.232 454 W CB 1.277 30.794 29.460 0.093 0.000 1.235 454 W HN 0.558 nan 8.180 nan 0.000 0.479 455 W N 3.912 125.436 121.300 0.373 0.000 2.463 455 W HA 0.377 5.037 4.660 -0.000 0.000 0.316 455 W C 0.793 177.572 176.519 0.433 0.000 1.004 455 W CA -1.325 56.228 57.345 0.347 0.000 1.309 455 W CB 1.003 30.644 29.460 0.302 0.000 1.288 455 W HN 0.735 nan 8.180 nan 0.000 0.423 456 G N 3.171 112.384 108.800 0.688 0.000 2.198 456 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.260 456 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.260 456 G C -0.065 175.070 174.900 0.391 0.000 1.025 456 G CA 0.466 45.846 45.100 0.467 0.000 0.769 456 G HN 1.311 nan 8.290 nan 0.000 0.507 457 C N -2.382 117.158 119.300 0.400 0.000 3.318 457 C HA 0.875 5.335 4.460 -0.000 0.000 0.322 457 C C -0.438 174.716 174.990 0.274 0.000 1.398 457 C CA -1.077 58.170 59.018 0.382 0.000 1.339 457 C CB 2.035 30.096 27.740 0.535 0.000 1.668 457 C HN 0.765 nan 8.230 nan 0.000 0.462 458 N N 0.204 119.015 118.700 0.185 0.000 2.725 458 N HA 0.266 5.006 4.740 -0.000 0.000 0.248 458 N C -0.195 175.322 175.510 0.012 0.000 1.402 458 N CA -0.222 52.808 53.050 -0.034 0.000 0.766 458 N CB -0.205 38.260 38.487 -0.037 0.000 1.223 458 N HN 0.833 nan 8.380 nan 0.000 0.515 459 N N 0.721 119.422 118.700 0.002 0.000 2.573 459 N HA 0.022 4.762 4.740 -0.000 0.000 0.187 459 N C 0.802 176.433 175.510 0.202 0.000 1.107 459 N CA 0.492 53.667 53.050 0.209 0.000 0.918 459 N CB 0.121 38.905 38.487 0.495 0.000 0.966 459 N HN 0.451 nan 8.380 nan 0.000 0.448 460 F N 0.967 120.773 119.950 -0.240 0.000 2.234 460 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 460 F C 2.312 178.057 175.800 -0.093 0.000 1.087 460 F CA 0.666 58.555 58.000 -0.184 0.000 1.340 460 F CB 0.207 39.057 39.000 -0.251 0.000 1.031 460 F HN 0.143 nan 8.300 nan 0.000 0.500 461 Q N -1.143 118.721 119.800 0.107 0.000 2.384 461 Q HA -0.018 4.322 4.340 -0.000 0.000 0.207 461 Q C 1.476 177.503 176.000 0.045 0.000 0.904 461 Q CA 1.274 57.093 55.803 0.026 0.000 0.933 461 Q CB 0.492 29.206 28.738 -0.038 0.000 1.077 461 Q HN 0.346 nan 8.270 nan 0.000 0.522 462 T N -4.420 110.208 114.554 0.124 0.000 3.058 462 T HA 0.263 4.613 4.350 -0.000 0.000 0.278 462 T C 0.676 175.519 174.700 0.238 0.000 0.974 462 T CA -0.361 61.852 62.100 0.188 0.000 0.893 462 T CB 0.589 69.600 68.868 0.238 0.000 1.138 462 T HN -0.178 nan 8.240 nan 0.000 0.529 463 S N 3.712 119.558 115.700 0.245 0.000 2.593 463 S HA 0.342 4.812 4.470 -0.000 0.000 0.269 463 S C 0.530 175.295 174.600 0.276 0.000 1.334 463 S CA -0.740 57.629 58.200 0.281 0.000 1.015 463 S CB 0.254 63.612 63.200 0.263 0.000 0.912 463 S HN 0.745 nan 8.310 nan 0.000 0.541 464 N N 1.892 120.722 118.700 0.216 0.000 2.503 464 N HA 0.018 4.758 4.740 -0.000 0.000 0.267 464 N C -0.122 175.431 175.510 0.071 0.000 1.214 464 N CA -0.200 52.881 53.050 0.052 0.000 0.959 464 N CB -0.246 38.015 38.487 -0.376 0.000 1.142 464 N HN 0.670 nan 8.380 nan 0.000 0.455 465 N N -0.988 117.738 118.700 0.044 0.000 2.725 465 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 465 N C 0.513 176.087 175.510 0.107 0.000 1.031 465 N CA 0.769 53.880 53.050 0.101 0.000 0.720 465 N CB -1.133 37.435 38.487 0.135 0.000 0.930 465 N HN 0.716 nan 8.380 nan 0.000 0.543 466 A N 0.016 122.886 122.820 0.083 0.000 1.972 466 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 466 A C 1.974 179.551 177.584 -0.012 0.000 1.169 466 A CA 1.900 53.967 52.037 0.050 0.000 0.635 466 A CB -0.366 18.659 19.000 0.042 0.000 0.810 466 A HN 0.738 nan 8.150 nan 0.000 0.446 467 Q N -0.414 119.391 119.800 0.008 0.000 2.119 467 Q HA -0.073 4.267 4.340 -0.000 0.000 0.201 467 Q C 2.089 178.073 176.000 -0.026 0.000 0.972 467 Q CA 1.560 57.347 55.803 -0.026 0.000 0.847 467 Q CB -0.361 28.382 28.738 0.008 0.000 0.903 467 Q HN 0.575 nan 8.270 nan 0.000 0.433 468 A N 0.614 123.451 122.820 0.028 0.000 1.930 468 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 468 A C 1.966 179.553 177.584 0.006 0.000 1.175 468 A CA 1.234 53.285 52.037 0.024 0.000 0.627 468 A CB -0.680 18.359 19.000 0.065 0.000 0.815 468 A HN 0.498 nan 8.150 nan 0.000 0.443 469 L N -0.049 121.185 121.223 0.018 0.000 1.994 469 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 469 L C 2.469 179.295 176.870 -0.074 0.000 1.071 469 L CA 1.964 56.829 54.840 0.042 0.000 0.745 469 L CB -0.563 41.565 42.059 0.116 0.000 0.892 469 L HN 0.331 nan 8.230 nan 0.000 0.431 470 R N -0.426 119.909 120.500 -0.274 0.000 2.096 470 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 470 R C 2.135 178.257 176.300 -0.298 0.000 1.127 470 R CA 1.599 57.339 56.100 -0.600 0.000 0.968 470 R CB -0.443 29.372 30.300 -0.808 0.000 0.861 470 R HN 0.543 nan 8.270 nan 0.000 0.440 471 E N 0.629 120.730 120.200 -0.164 0.000 2.070 471 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 471 E C 2.062 178.634 176.600 -0.047 0.000 1.004 471 E CA 1.533 57.880 56.400 -0.087 0.000 0.805 471 E CB -0.130 29.539 29.700 -0.051 0.000 0.744 471 E HN 0.374 nan 8.360 nan 0.000 0.451 472 A N 1.057 123.864 122.820 -0.023 0.000 1.873 472 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 472 A C 2.126 179.740 177.584 0.050 0.000 1.186 472 A CA 0.959 53.005 52.037 0.014 0.000 0.616 472 A CB -0.329 18.688 19.000 0.028 0.000 0.823 472 A HN 0.113 nan 8.150 nan 0.000 0.442 473 I N 0.036 120.661 120.570 0.092 0.000 2.315 473 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 473 I C 2.442 178.649 176.117 0.150 0.000 1.117 473 I CA 1.101 62.521 61.300 0.200 0.000 1.404 473 I CB -1.395 36.863 38.000 0.430 0.000 1.071 473 I HN 0.277 nan 8.210 nan 0.000 0.419 474 L N -0.026 121.243 121.223 0.077 0.000 2.046 474 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 474 L C 2.702 179.590 176.870 0.030 0.000 1.077 474 L CA 1.378 56.247 54.840 0.049 0.000 0.747 474 L CB -0.544 41.508 42.059 -0.011 0.000 0.896 474 L HN 0.296 nan 8.230 nan 0.000 0.432 475 Q N -0.379 119.433 119.800 0.020 0.000 2.050 475 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 475 Q C 2.399 178.417 176.000 0.030 0.000 0.980 475 Q CA 1.396 57.209 55.803 0.016 0.000 0.840 475 Q CB -0.056 28.685 28.738 0.006 0.000 0.898 475 Q HN 0.454 nan 8.270 nan 0.000 0.424 476 R N -0.095 120.431 120.500 0.042 0.000 2.120 476 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 476 R C 2.523 178.874 176.300 0.086 0.000 1.123 476 R CA 1.280 57.408 56.100 0.047 0.000 0.975 476 R CB -0.367 29.958 30.300 0.042 0.000 0.866 476 R HN 0.117 nan 8.270 nan 0.000 0.446 477 S N 0.769 116.537 115.700 0.113 0.000 2.368 477 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 477 S C 2.120 176.824 174.600 0.172 0.000 1.030 477 S CA 1.140 59.448 58.200 0.181 0.000 0.999 477 S CB -0.087 63.121 63.200 0.014 0.000 0.844 477 S HN 0.424 nan 8.310 nan 0.000 0.459 478 A N 1.438 124.300 122.820 0.071 0.000 1.940 478 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 478 A C 2.109 179.723 177.584 0.050 0.000 1.176 478 A CA 1.555 53.619 52.037 0.045 0.000 0.631 478 A CB -0.803 18.207 19.000 0.017 0.000 0.814 478 A HN 0.646 nan 8.150 nan 0.000 0.446 479 I N -0.688 119.907 120.570 0.041 0.000 2.226 479 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 479 I C 2.331 178.457 176.117 0.014 0.000 1.100 479 I CA 1.100 62.412 61.300 0.020 0.000 1.374 479 I CB -0.312 37.692 38.000 0.007 0.000 1.057 479 I HN 0.162 nan 8.210 nan 0.000 0.413 480 V N 0.874 120.798 119.914 0.016 0.000 2.358 480 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 480 V C 2.426 178.511 176.094 -0.015 0.000 1.047 480 V CA 1.816 64.087 62.300 -0.049 0.000 1.035 480 V CB -0.578 31.111 31.823 -0.224 0.000 0.658 480 V HN 0.377 nan 8.190 nan 0.000 0.452 481 K N -0.369 120.075 120.400 0.074 0.000 2.032 481 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 481 K C 2.264 178.906 176.600 0.070 0.000 1.048 481 K CA 1.749 58.107 56.287 0.119 0.000 0.927 481 K CB -0.257 32.336 32.500 0.155 0.000 0.712 481 K HN 0.520 nan 8.250 nan 0.000 0.441 482 Q N 0.053 119.881 119.800 0.047 0.000 2.135 482 Q HA -0.160 4.179 4.340 -0.000 0.000 0.204 482 Q C 2.190 178.200 176.000 0.017 0.000 0.981 482 Q CA 1.523 57.343 55.803 0.029 0.000 0.856 482 Q CB -0.190 28.561 28.738 0.021 0.000 0.902 482 Q HN 0.370 nan 8.270 nan 0.000 0.425 483 A N 0.592 123.418 122.820 0.009 0.000 1.930 483 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 483 A C 2.005 179.589 177.584 0.001 0.000 1.175 483 A CA 1.243 53.280 52.037 -0.000 0.000 0.627 483 A CB -0.406 18.588 19.000 -0.010 0.000 0.815 483 A HN 0.289 nan 8.150 nan 0.000 0.443 484 M N -1.030 118.573 119.600 0.006 0.000 2.296 484 M HA -0.166 4.314 4.480 -0.000 0.000 0.265 484 M C 2.228 178.530 176.300 0.002 0.000 1.064 484 M CA 1.166 56.471 55.300 0.007 0.000 1.109 484 M CB -0.279 32.334 32.600 0.022 0.000 1.396 484 M HN 0.472 nan 8.290 nan 0.000 0.430 485 Q N 0.174 119.979 119.800 0.007 0.000 2.226 485 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 485 Q C 1.786 177.783 176.000 -0.006 0.000 0.975 485 Q CA 0.950 56.752 55.803 -0.000 0.000 0.866 485 Q CB 0.081 28.824 28.738 0.009 0.000 0.915 485 Q HN 0.300 nan 8.270 nan 0.000 0.440 486 K N 0.007 120.405 120.400 -0.004 0.000 2.296 486 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 486 K C 0.656 177.251 176.600 -0.009 0.000 1.048 486 K CA 0.384 56.667 56.287 -0.006 0.000 0.966 486 K CB -0.046 32.451 32.500 -0.004 0.000 0.754 486 K HN 0.116 nan 8.250 nan 0.000 0.466 487 A N 2.066 124.880 122.820 -0.010 0.000 2.366 487 A HA 0.387 4.707 4.320 -0.000 0.000 0.249 487 A C -0.058 177.516 177.584 -0.017 0.000 1.084 487 A CA -0.096 51.934 52.037 -0.013 0.000 0.794 487 A CB 0.443 19.436 19.000 -0.011 0.000 1.034 487 A HN 0.077 nan 8.150 nan 0.000 0.491 488 R N -0.101 120.388 120.500 -0.018 0.000 2.508 488 R HA 0.440 4.780 4.340 -0.000 0.000 0.283 488 R C 0.359 176.645 176.300 -0.022 0.000 1.120 488 R CA 0.085 56.173 56.100 -0.021 0.000 0.958 488 R CB 1.006 31.295 30.300 -0.018 0.000 1.215 488 R HN 1.955 nan 8.270 nan 0.000 0.427 489 G N 1.302 110.086 108.800 -0.026 0.000 2.203 489 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.263 489 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.263 489 G C 0.279 175.163 174.900 -0.027 0.000 1.012 489 G CA 0.508 45.591 45.100 -0.028 0.000 0.749 489 G HN 0.862 nan 8.290 nan 0.000 0.512 490 A N 0.492 123.298 122.820 -0.024 0.000 2.450 490 A HA 0.665 4.985 4.320 -0.000 0.000 0.255 490 A C 1.163 178.736 177.584 -0.019 0.000 1.096 490 A CA 0.989 53.015 52.037 -0.019 0.000 0.778 490 A CB 0.182 19.174 19.000 -0.013 0.000 1.031 490 A HN 1.709 nan 8.150 nan 0.000 0.494 491 T N 0.318 114.861 114.554 -0.017 0.000 2.754 491 T HA 0.255 4.605 4.350 -0.000 0.000 0.286 491 T C 1.353 176.058 174.700 0.009 0.000 0.997 491 T CA 0.370 62.463 62.100 -0.013 0.000 0.982 491 T CB 0.248 69.106 68.868 -0.016 0.000 1.027 491 T HN 0.539 nan 8.240 nan 0.000 0.529 492 T N 0.970 115.547 114.554 0.038 0.000 2.684 492 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 492 T C 1.845 176.542 174.700 -0.006 0.000 1.036 492 T CA 1.853 63.997 62.100 0.073 0.000 1.148 492 T CB -0.490 68.448 68.868 0.116 0.000 0.863 492 T HN 0.738 nan 8.240 nan 0.000 0.436 493 E N 1.324 121.508 120.200 -0.027 0.000 2.058 493 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 493 E C 2.257 178.825 176.600 -0.054 0.000 0.997 493 E CA 1.211 57.578 56.400 -0.056 0.000 0.801 493 E CB -0.249 29.417 29.700 -0.057 0.000 0.746 493 E HN 0.605 nan 8.360 nan 0.000 0.450 494 E N -0.350 119.828 120.200 -0.036 0.000 2.110 494 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 494 E C 1.902 178.484 176.600 -0.031 0.000 0.988 494 E CA 1.090 57.471 56.400 -0.032 0.000 0.804 494 E CB -0.105 29.580 29.700 -0.024 0.000 0.745 494 E HN 0.149 nan 8.360 nan 0.000 0.458 495 M N 0.451 120.036 119.600 -0.025 0.000 2.132 495 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 495 M C 2.070 178.331 176.300 -0.065 0.000 1.065 495 M CA 1.150 56.434 55.300 -0.027 0.000 1.122 495 M CB -0.071 32.531 32.600 0.003 0.000 1.365 495 M HN -0.069 nan 8.290 nan 0.000 0.411 496 V N 0.826 120.686 119.914 -0.091 0.000 2.324 496 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 496 V C 1.897 177.947 176.094 -0.074 0.000 1.060 496 V CA 2.211 64.431 62.300 -0.133 0.000 1.042 496 V CB -0.999 30.734 31.823 -0.150 0.000 0.650 496 V HN 0.432 nan 8.190 nan 0.000 0.450 497 D N -0.362 120.005 120.400 -0.055 0.000 2.144 497 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 497 D C 2.158 178.473 176.300 0.025 0.000 0.978 497 D CA 1.043 55.035 54.000 -0.014 0.000 0.833 497 D CB -0.246 40.533 40.800 -0.035 0.000 0.961 497 D HN 0.336 nan 8.370 nan 0.000 0.470 498 V N 1.192 121.104 119.914 -0.004 0.000 2.343 498 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 498 V C 2.492 178.582 176.094 -0.006 0.000 1.051 498 V CA 1.106 63.404 62.300 -0.003 0.000 1.036 498 V CB -0.291 31.525 31.823 -0.012 0.000 0.654 498 V HN 0.162 nan 8.190 nan 0.000 0.451 499 I N -1.309 119.244 120.570 -0.028 0.000 2.202 499 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 499 I C 2.402 178.499 176.117 -0.033 0.000 1.091 499 I CA 1.895 63.163 61.300 -0.054 0.000 1.368 499 I CB -0.435 37.478 38.000 -0.144 0.000 1.058 499 I HN 0.319 nan 8.210 nan 0.000 0.410 500 Y N 1.668 121.899 120.300 -0.114 0.000 2.128 500 Y HA -0.359 4.191 4.550 -0.000 0.000 0.284 500 Y C 2.607 178.473 175.900 -0.057 0.000 1.154 500 Y CA 2.280 60.327 58.100 -0.089 0.000 1.149 500 Y CB -0.202 38.202 38.460 -0.094 0.000 0.976 500 Y HN 0.200 nan 8.280 nan 0.000 0.505 501 E N -0.139 120.110 120.200 0.082 0.000 2.118 501 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 501 E C 2.217 178.777 176.600 -0.067 0.000 0.992 501 E CA 1.171 57.580 56.400 0.015 0.000 0.804 501 E CB -0.358 29.370 29.700 0.046 0.000 0.741 501 E HN 0.545 nan 8.360 nan 0.000 0.458 502 A N 0.364 123.147 122.820 -0.063 0.000 1.972 502 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 502 A C 2.397 179.919 177.584 -0.103 0.000 1.169 502 A CA 2.042 54.041 52.037 -0.065 0.000 0.635 502 A CB -1.089 17.882 19.000 -0.048 0.000 0.810 502 A HN 0.512 nan 8.150 nan 0.000 0.446 503 T N -2.781 111.669 114.554 -0.173 0.000 3.113 503 T HA -0.035 4.315 4.350 -0.000 0.000 0.263 503 T C 1.457 176.013 174.700 -0.239 0.000 1.143 503 T CA 1.223 63.197 62.100 -0.211 0.000 1.090 503 T CB -0.235 68.466 68.868 -0.277 0.000 0.922 503 T HN 0.608 nan 8.240 nan 0.000 0.521 504 Q N 0.586 120.245 119.800 -0.236 0.000 2.392 504 Q HA 0.219 4.559 4.340 -0.000 0.000 0.203 504 Q C 0.747 176.691 176.000 -0.093 0.000 0.917 504 Q CA 0.194 55.894 55.803 -0.171 0.000 0.939 504 Q CB 0.280 28.937 28.738 -0.135 0.000 1.063 504 Q HN 0.531 nan 8.270 nan 0.000 0.516 505 N N -0.557 118.093 118.700 -0.084 0.000 2.416 505 N HA 0.134 4.874 4.740 -0.000 0.000 0.267 505 N C 0.242 175.725 175.510 -0.046 0.000 1.294 505 N CA 0.567 53.587 53.050 -0.051 0.000 0.891 505 N CB 1.733 40.198 38.487 -0.037 0.000 1.238 505 N HN 0.304 nan 8.380 nan 0.000 0.508 506 G N -0.144 108.622 108.800 -0.058 0.000 2.194 506 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 506 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 506 G C 0.523 175.397 174.900 -0.043 0.000 0.987 506 G CA -0.141 44.932 45.100 -0.046 0.000 0.635 506 G HN 0.536 nan 8.290 nan 0.000 0.520 507 G N -0.691 108.079 108.800 -0.050 0.000 2.616 507 G HA2 0.674 4.634 3.960 -0.000 0.000 0.268 507 G HA3 0.674 4.634 3.960 -0.000 0.000 0.268 507 G C -0.688 174.194 174.900 -0.031 0.000 1.213 507 G CA 0.128 45.212 45.100 -0.028 0.000 0.926 507 G HN 1.247 nan 8.290 nan 0.000 0.523 508 L N -0.445 120.793 121.223 0.026 0.000 2.516 508 L HA 0.558 4.898 4.340 -0.000 0.000 0.267 508 L C -1.351 175.618 176.870 0.165 0.000 0.957 508 L CA -0.835 54.033 54.840 0.046 0.000 0.860 508 L CB 1.792 43.870 42.059 0.031 0.000 1.265 508 L HN 0.484 nan 8.230 nan 0.000 0.403 509 F N 5.560 125.510 119.950 -0.000 0.000 2.438 509 F HA 0.657 5.184 4.527 -0.000 0.000 0.356 509 F C -0.541 175.391 175.800 0.219 0.000 1.099 509 F CA -0.105 57.937 58.000 0.070 0.000 1.185 509 F CB 1.006 39.981 39.000 -0.042 0.000 1.115 509 F HN 0.263 nan 8.300 nan 0.000 0.526 510 V N 5.422 125.297 119.914 -0.065 0.000 2.448 510 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 510 V C -0.264 175.709 176.094 -0.201 0.000 1.025 510 V CA -0.528 61.737 62.300 -0.059 0.000 0.859 510 V CB 1.771 33.590 31.823 -0.007 0.000 0.988 510 V HN 0.839 nan 8.190 nan 0.000 0.431 511 T N 3.180 117.742 114.554 0.013 0.000 2.856 511 T HA 0.526 4.876 4.350 -0.000 0.000 0.283 511 T C -0.404 174.339 174.700 0.073 0.000 1.008 511 T CA -0.446 61.673 62.100 0.031 0.000 0.997 511 T CB 1.685 70.651 68.868 0.163 0.000 0.992 511 T HN 0.652 nan 8.240 nan 0.000 0.454 512 S N 2.410 118.109 115.700 -0.001 0.000 2.532 512 S HA 0.700 5.170 4.470 -0.000 0.000 0.299 512 S C -0.907 173.623 174.600 -0.116 0.000 1.105 512 S CA -0.783 57.428 58.200 0.018 0.000 1.018 512 S CB 0.268 63.460 63.200 -0.012 0.000 1.021 512 S HN 0.580 nan 8.310 nan 0.000 0.483 513 I N 5.254 125.732 120.570 -0.153 0.000 2.382 513 I HA 0.507 4.677 4.170 -0.000 0.000 0.286 513 I C 0.111 176.192 176.117 -0.060 0.000 1.002 513 I CA -0.575 60.558 61.300 -0.279 0.000 1.135 513 I CB 1.302 38.815 38.000 -0.811 0.000 1.288 513 I HN 0.602 nan 8.210 nan 0.000 0.448 514 N N 4.693 123.355 118.700 -0.064 0.000 3.179 514 N HA 0.392 5.132 4.740 -0.000 0.000 0.250 514 N C -0.044 175.397 175.510 -0.115 0.000 1.507 514 N CA -0.565 52.459 53.050 -0.042 0.000 0.883 514 N CB 1.930 40.392 38.487 -0.042 0.000 1.435 514 N HN 0.399 nan 8.380 nan 0.000 0.532 515 L N 0.167 121.282 121.223 -0.180 0.000 2.375 515 L HA 0.223 4.563 4.340 -0.000 0.000 0.215 515 L C -0.106 176.427 176.870 -0.561 0.000 1.108 515 L CA 0.722 55.328 54.840 -0.390 0.000 0.830 515 L CB -0.061 41.699 42.059 -0.497 0.000 0.959 515 L HN 0.432 nan 8.230 nan 0.000 0.457 516 Y N -2.263 118.008 120.300 -0.048 0.000 2.638 516 Y HA 0.291 4.841 4.550 -0.000 0.000 0.339 516 Y C -1.799 174.049 175.900 -0.086 0.000 1.084 516 Y CA -1.809 56.279 58.100 -0.020 0.000 1.068 516 Y CB 0.861 39.384 38.460 0.106 0.000 1.294 516 Y HN -0.326 nan 8.280 nan 0.000 0.480 517 P HA -0.139 nan 4.420 nan 0.000 0.215 517 P C 0.215 177.453 177.300 -0.103 0.000 1.157 517 P CA 2.676 65.706 63.100 -0.117 0.000 0.868 517 P CB -0.045 31.556 31.700 -0.163 0.000 0.788 518 T N -3.204 111.331 114.554 -0.033 0.000 0.541 518 T HA -0.255 4.095 4.350 -0.000 0.000 0.774 518 T C 0.900 175.530 174.700 -0.117 0.000 0.992 518 T CA 1.064 63.119 62.100 -0.075 0.000 4.077 518 T CB -1.313 67.505 68.868 -0.083 0.000 2.303 518 T HN 0.172 nan 8.240 nan 0.000 0.398 519 K N 0.487 120.822 120.400 -0.109 0.000 2.362 519 K HA 0.135 4.455 4.320 -0.000 0.000 0.200 519 K C 2.308 178.820 176.600 -0.145 0.000 1.046 519 K CA 1.437 57.692 56.287 -0.054 0.000 0.952 519 K CB -0.416 32.112 32.500 0.047 0.000 0.753 519 K HN 0.529 nan 8.250 nan 0.000 0.466 520 L N 0.462 121.459 121.223 -0.378 0.000 2.191 520 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 520 L C 2.403 179.045 176.870 -0.380 0.000 1.103 520 L CA 0.759 55.165 54.840 -0.725 0.000 0.769 520 L CB -0.584 41.089 42.059 -0.643 0.000 0.908 520 L HN 0.186 nan 8.230 nan 0.000 0.438 521 A N -0.023 122.672 122.820 -0.208 0.000 2.131 521 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 521 A C 2.070 179.711 177.584 0.095 0.000 1.158 521 A CA 1.411 53.410 52.037 -0.064 0.000 0.665 521 A CB -0.388 18.471 19.000 -0.236 0.000 0.795 521 A HN 0.517 nan 8.150 nan 0.000 0.460 522 E N -0.907 119.301 120.200 0.013 0.000 2.347 522 E HA 0.049 4.399 4.350 -0.000 0.000 0.196 522 E C 1.677 178.260 176.600 -0.028 0.000 1.008 522 E CA 0.755 57.184 56.400 0.047 0.000 0.852 522 E CB -0.067 29.697 29.700 0.107 0.000 0.783 522 E HN 0.657 nan 8.360 nan 0.000 0.505 523 A N 0.731 123.499 122.820 -0.086 0.000 2.226 523 A HA 0.482 4.802 4.320 -0.000 0.000 0.207 523 A C 1.056 178.390 177.584 -0.417 0.000 1.293 523 A CA 0.127 52.054 52.037 -0.183 0.000 0.968 523 A CB 0.405 19.421 19.000 0.027 0.000 1.044 523 A HN 0.170 nan 8.150 nan 0.000 0.493 524 A N -0.194 122.455 122.820 -0.286 0.000 2.466 524 A HA 0.405 4.725 4.320 -0.000 0.000 0.238 524 A C 0.465 177.769 177.584 -0.466 0.000 1.074 524 A CA 0.512 52.379 52.037 -0.283 0.000 0.774 524 A CB -0.174 18.822 19.000 -0.007 0.000 1.015 524 A HN 0.582 nan 8.150 nan 0.000 0.498 525 H N -0.167 118.744 119.070 -0.266 0.000 2.729 525 H HA 0.407 4.963 4.556 -0.000 0.000 0.263 525 H C -0.415 174.839 175.328 -0.125 0.000 0.961 525 H CA 0.256 56.102 56.048 -0.337 0.000 1.217 525 H CB 0.635 29.996 29.762 -0.669 0.000 1.447 525 H HN 0.403 nan 8.280 nan 0.000 0.496 526 L N 1.010 122.244 121.223 0.019 0.000 2.493 526 L HA 0.472 4.812 4.340 -0.000 0.000 0.265 526 L C -1.872 175.035 176.870 0.061 0.000 0.954 526 L CA -0.634 54.285 54.840 0.131 0.000 0.844 526 L CB 1.777 43.932 42.059 0.160 0.000 1.302 526 L HN -0.005 nan 8.230 nan 0.000 0.405 527 M N 6.029 125.645 119.600 0.027 0.000 2.326 527 M HA 0.552 5.032 4.480 -0.000 0.000 0.306 527 M C -1.430 174.734 176.300 -0.227 0.000 1.054 527 M CA -0.502 54.728 55.300 -0.117 0.000 0.922 527 M CB 2.201 34.700 32.600 -0.169 0.000 1.632 527 M HN 0.397 nan 8.290 nan 0.000 0.436 528 L N 4.582 125.637 121.223 -0.281 0.000 2.346 528 L HA 0.631 4.971 4.340 -0.000 0.000 0.276 528 L C -2.254 174.494 176.870 -0.204 0.000 1.006 528 L CA -1.921 52.700 54.840 -0.365 0.000 0.817 528 L CB 1.986 43.809 42.059 -0.394 0.000 1.272 528 L HN 0.360 nan 8.230 nan 0.000 0.421 529 P HA 0.255 nan 4.420 nan 0.000 0.287 529 P C -0.995 176.346 177.300 0.068 0.000 1.294 529 P CA -0.153 62.920 63.100 -0.044 0.000 0.776 529 P CB 1.798 33.474 31.700 -0.040 0.000 0.889 530 A N 3.641 126.458 122.820 -0.005 0.000 2.269 530 A HA 0.813 5.133 4.320 -0.000 0.000 0.327 530 A C -0.396 177.168 177.584 -0.035 0.000 1.112 530 A CA -0.675 51.384 52.037 0.037 0.000 0.865 530 A CB 1.035 20.073 19.000 0.063 0.000 1.227 530 A HN 0.575 nan 8.150 nan 0.000 0.498 531 A N 0.091 122.909 122.820 -0.004 0.000 2.355 531 A HA 0.713 5.033 4.320 -0.000 0.000 0.324 531 A C -0.228 177.371 177.584 0.024 0.000 1.117 531 A CA -0.477 51.537 52.037 -0.038 0.000 0.785 531 A CB 0.402 19.394 19.000 -0.015 0.000 1.254 531 A HN 1.198 nan 8.150 nan 0.000 0.453 532 H N -0.102 118.941 119.070 -0.044 0.000 2.630 532 H HA 0.668 5.224 4.556 -0.000 0.000 0.343 532 H C -2.757 172.475 175.328 -0.160 0.000 1.232 532 H CA -2.659 53.328 56.048 -0.102 0.000 1.294 532 H CB 0.929 30.681 29.762 -0.017 0.000 1.746 532 H HN 0.312 nan 8.280 nan 0.000 0.593 533 P HA -0.025 nan 4.420 nan 0.000 0.262 533 P C 0.846 178.118 177.300 -0.048 0.000 1.182 533 P CA 2.155 65.102 63.100 -0.256 0.000 0.761 533 P CB 0.652 32.077 31.700 -0.458 0.000 0.795 534 G N 2.887 111.678 108.800 -0.015 0.000 2.313 534 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.215 534 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.215 534 G C 0.955 175.611 174.900 -0.408 0.000 1.023 534 G CA -0.060 44.993 45.100 -0.079 0.000 0.626 534 G HN 0.530 nan 8.290 nan 0.000 0.503 535 E N 0.386 120.491 120.200 -0.159 0.000 2.442 535 E HA 0.359 4.709 4.350 -0.000 0.000 0.195 535 E C 1.206 177.743 176.600 -0.105 0.000 1.030 535 E CA 0.991 57.301 56.400 -0.150 0.000 0.869 535 E CB 0.072 29.751 29.700 -0.035 0.000 0.857 535 E HN 0.776 nan 8.360 nan 0.000 0.505 536 M N -1.305 118.250 119.600 -0.076 0.000 2.644 536 M HA 0.433 4.913 4.480 -0.000 0.000 0.273 536 M C -1.404 174.857 176.300 -0.065 0.000 1.253 536 M CA -1.091 54.179 55.300 -0.049 0.000 0.852 536 M CB 1.613 34.202 32.600 -0.019 0.000 1.708 536 M HN -0.368 nan 8.290 nan 0.000 0.471 537 N N 1.328 119.996 118.700 -0.054 0.000 2.503 537 N HA 0.753 5.493 4.740 -0.000 0.000 0.267 537 N C -1.365 174.052 175.510 -0.154 0.000 1.214 537 N CA -0.175 52.791 53.050 -0.140 0.000 0.959 537 N CB 1.812 40.215 38.487 -0.140 0.000 1.142 537 N HN 0.738 nan 8.380 nan 0.000 0.455 538 L N -0.061 121.007 121.223 -0.257 0.000 2.545 538 L HA 0.384 4.724 4.340 -0.000 0.000 0.258 538 L C -0.893 175.820 176.870 -0.262 0.000 0.942 538 L CA -0.483 54.239 54.840 -0.197 0.000 0.855 538 L CB 2.081 44.044 42.059 -0.160 0.000 1.374 538 L HN 0.667 nan 8.230 nan 0.000 0.411 539 T N 0.131 114.572 114.554 -0.188 0.000 2.885 539 T HA 0.918 5.268 4.350 -0.000 0.000 0.285 539 T C -0.433 174.274 174.700 0.012 0.000 1.019 539 T CA -0.635 61.386 62.100 -0.133 0.000 1.010 539 T CB 1.848 70.565 68.868 -0.252 0.000 1.022 539 T HN 0.621 nan 8.240 nan 0.000 0.466 540 S N 0.963 116.684 115.700 0.035 0.000 2.595 540 S HA 0.616 5.086 4.470 -0.000 0.000 0.270 540 S C -1.101 173.561 174.600 0.104 0.000 1.145 540 S CA -1.063 57.092 58.200 -0.075 0.000 0.825 540 S CB 1.479 64.606 63.200 -0.123 0.000 1.107 540 S HN 1.129 nan 8.310 nan 0.000 0.461 541 M N 1.527 121.193 119.600 0.109 0.000 2.716 541 M HA 0.739 5.219 4.480 -0.000 0.000 0.307 541 M C -0.430 175.910 176.300 0.068 0.000 1.223 541 M CA -0.753 54.627 55.300 0.134 0.000 0.871 541 M CB 1.488 34.236 32.600 0.247 0.000 1.739 541 M HN 0.684 nan 8.290 nan 0.000 0.475 542 N N 0.718 119.428 118.700 0.017 0.000 2.717 542 N HA 0.411 5.151 4.740 -0.000 0.000 0.314 542 N C 0.771 176.266 175.510 -0.024 0.000 1.324 542 N CA -0.117 52.937 53.050 0.007 0.000 0.902 542 N CB -0.344 38.124 38.487 -0.032 0.000 1.126 542 N HN 0.922 nan 8.380 nan 0.000 0.579 543 G N -1.645 107.159 108.800 0.006 0.000 2.776 543 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.209 543 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.209 543 G C 0.339 175.157 174.900 -0.137 0.000 1.145 543 G CA 0.548 45.690 45.100 0.070 0.000 0.791 543 G HN 0.805 nan 8.290 nan 0.000 0.530 544 E N -0.734 119.174 120.200 -0.487 0.000 2.734 544 E HA 0.318 4.668 4.350 -0.000 0.000 0.211 544 E C 0.635 177.090 176.600 -0.241 0.000 0.991 544 E CA -0.841 55.288 56.400 -0.451 0.000 1.065 544 E CB 0.096 29.300 29.700 -0.827 0.000 1.047 544 E HN 0.226 nan 8.360 nan 0.000 0.470 545 R N 0.689 121.113 120.500 -0.127 0.000 3.770 545 R HA -0.195 4.145 4.340 -0.000 0.000 0.305 545 R C -0.078 176.214 176.300 -0.013 0.000 1.184 545 R CA 0.708 56.798 56.100 -0.017 0.000 0.823 545 R CB -2.003 28.297 30.300 0.001 0.000 1.285 545 R HN 0.249 nan 8.270 nan 0.000 0.499 546 R N 1.790 122.245 120.500 -0.075 0.000 2.220 546 R HA 0.302 4.642 4.340 -0.000 0.000 0.340 546 R C 0.040 176.345 176.300 0.009 0.000 1.076 546 R CA -0.253 55.812 56.100 -0.058 0.000 0.920 546 R CB 0.450 30.673 30.300 -0.128 0.000 1.062 546 R HN 0.242 nan 8.270 nan 0.000 0.469 547 I N 4.234 124.836 120.570 0.052 0.000 2.441 547 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 547 I C -0.605 175.513 176.117 0.003 0.000 1.049 547 I CA -0.279 61.071 61.300 0.083 0.000 1.381 547 I CB 0.404 38.475 38.000 0.117 0.000 1.409 547 I HN 0.626 nan 8.210 nan 0.000 0.523 548 R N 5.312 125.797 120.500 -0.024 0.000 2.808 548 R HA 0.560 4.900 4.340 -0.000 0.000 0.272 548 R C -1.696 174.513 176.300 -0.151 0.000 0.995 548 R CA -0.701 55.352 56.100 -0.078 0.000 0.917 548 R CB 1.696 31.959 30.300 -0.061 0.000 1.217 548 R HN 0.556 nan 8.270 nan 0.000 0.471 549 L N 0.708 121.804 121.223 -0.211 0.000 2.272 549 L HA 0.565 4.905 4.340 -0.000 0.000 0.289 549 L C -0.897 175.829 176.870 -0.240 0.000 1.032 549 L CA 0.307 54.944 54.840 -0.338 0.000 0.810 549 L CB 1.731 43.521 42.059 -0.449 0.000 1.205 549 L HN 0.532 nan 8.230 nan 0.000 0.422 550 S N 4.064 119.625 115.700 -0.232 0.000 2.457 550 S HA 0.413 4.883 4.470 -0.000 0.000 0.289 550 S C -0.454 174.052 174.600 -0.156 0.000 1.163 550 S CA -0.601 57.515 58.200 -0.141 0.000 1.078 550 S CB 0.560 63.690 63.200 -0.117 0.000 0.987 550 S HN 0.634 nan 8.310 nan 0.000 0.482 551 E N 1.999 122.150 120.200 -0.082 0.000 2.266 551 E HA 0.190 4.540 4.350 -0.000 0.000 0.277 551 E C -0.165 176.458 176.600 0.040 0.000 1.018 551 E CA -0.652 55.712 56.400 -0.060 0.000 0.840 551 E CB 1.055 30.736 29.700 -0.032 0.000 1.082 551 E HN 0.410 nan 8.360 nan 0.000 0.395 552 K N 2.285 122.677 120.400 -0.012 0.000 2.382 552 K HA 0.042 4.362 4.320 -0.000 0.000 0.275 552 K C -0.213 176.411 176.600 0.041 0.000 1.009 552 K CA 0.189 56.453 56.287 -0.038 0.000 0.970 552 K CB 0.298 32.758 32.500 -0.067 0.000 0.934 552 K HN 0.604 nan 8.250 nan 0.000 0.479 553 F N 2.089 122.010 119.950 -0.048 0.000 2.974 553 F HA 0.263 4.790 4.527 -0.000 0.000 0.357 553 F C -0.457 175.292 175.800 -0.084 0.000 1.114 553 F CA -0.873 57.087 58.000 -0.066 0.000 1.099 553 F CB 0.109 39.076 39.000 -0.054 0.000 1.205 553 F HN 0.398 nan 8.300 nan 0.000 0.535 554 M N -0.478 118.717 119.600 -0.675 0.000 2.721 554 M HA 0.566 5.046 4.480 -0.000 0.000 0.271 554 M C -1.932 174.153 176.300 -0.358 0.000 1.259 554 M CA -0.829 54.188 55.300 -0.471 0.000 0.835 554 M CB 2.081 34.350 32.600 -0.552 0.000 1.689 554 M HN -0.236 nan 8.290 nan 0.000 0.470 555 D N 1.939 122.158 120.400 -0.302 0.000 2.264 555 D HA 0.547 5.187 4.640 -0.000 0.000 0.249 555 D C -2.482 173.655 176.300 -0.271 0.000 1.070 555 D CA -0.837 52.928 54.000 -0.391 0.000 0.912 555 D CB 1.012 41.301 40.800 -0.850 0.000 1.193 555 D HN 0.344 nan 8.370 nan 0.000 0.427 556 P HA 0.199 nan 4.420 nan 0.000 0.274 556 P C -2.502 174.727 177.300 -0.119 0.000 1.246 556 P CA -1.216 61.807 63.100 -0.129 0.000 0.795 556 P CB -0.266 31.390 31.700 -0.075 0.000 1.006 557 P HA 0.047 nan 4.420 nan 0.000 0.275 557 P C 0.809 177.990 177.300 -0.198 0.000 1.227 557 P CA 0.655 63.391 63.100 -0.608 0.000 0.781 557 P CB 0.265 31.114 31.700 -1.419 0.000 0.906 558 G N 3.706 112.471 108.800 -0.059 0.000 2.672 558 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.324 558 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.324 558 G C 0.722 175.630 174.900 0.013 0.000 1.286 558 G CA 1.243 46.321 45.100 -0.038 0.000 1.004 558 G HN 0.758 nan 8.290 nan 0.000 0.548 559 T N -1.104 113.492 114.554 0.070 0.000 3.223 559 T HA 0.701 5.051 4.350 -0.000 0.000 0.259 559 T C 0.901 175.736 174.700 0.225 0.000 1.015 559 T CA 1.148 63.343 62.100 0.158 0.000 0.908 559 T CB 0.097 69.161 68.868 0.325 0.000 1.054 559 T HN 1.914 nan 8.240 nan 0.000 0.567 560 A N 1.858 124.749 122.820 0.118 0.000 2.507 560 A HA 0.620 4.940 4.320 -0.000 0.000 0.235 560 A C 0.060 177.688 177.584 0.074 0.000 1.070 560 A CA -0.286 51.811 52.037 0.100 0.000 0.768 560 A CB 0.067 19.037 19.000 -0.050 0.000 1.011 560 A HN 0.770 nan 8.150 nan 0.000 0.502 561 M N 1.498 121.153 119.600 0.092 0.000 2.531 561 M HA 0.623 5.103 4.480 -0.000 0.000 0.286 561 M C -0.103 176.244 176.300 0.078 0.000 1.232 561 M CA -0.576 54.745 55.300 0.035 0.000 0.877 561 M CB 1.969 34.527 32.600 -0.071 0.000 1.726 561 M HN 1.025 nan 8.290 nan 0.000 0.463 562 A N 2.160 125.023 122.820 0.072 0.000 2.531 562 A HA 0.084 4.404 4.320 -0.000 0.000 0.236 562 A C 0.515 178.215 177.584 0.193 0.000 1.062 562 A CA 0.210 52.310 52.037 0.104 0.000 0.760 562 A CB -0.105 18.951 19.000 0.094 0.000 0.995 562 A HN 0.995 nan 8.150 nan 0.000 0.501 563 D N 1.362 121.904 120.400 0.236 0.000 2.149 563 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 563 D C 2.101 178.665 176.300 0.439 0.000 0.990 563 D CA 2.134 56.396 54.000 0.437 0.000 0.839 563 D CB -0.384 40.698 40.800 0.470 0.000 0.948 563 D HN 0.845 nan 8.370 nan 0.000 0.460 564 C N 0.401 119.893 119.300 0.321 0.000 2.422 564 C HA -0.017 4.443 4.460 -0.000 0.000 0.279 564 C C 2.800 178.098 174.990 0.514 0.000 1.305 564 C CA -0.063 59.193 59.018 0.396 0.000 1.757 564 C CB -1.540 26.382 27.740 0.303 0.000 1.962 564 C HN 0.232 nan 8.230 nan 0.000 0.499 565 L N 0.428 121.876 121.223 0.375 0.000 2.240 565 L HA 0.074 4.414 4.340 -0.000 0.000 0.211 565 L C 2.792 179.785 176.870 0.205 0.000 1.106 565 L CA 1.028 56.051 54.840 0.306 0.000 0.793 565 L CB -0.494 41.675 42.059 0.183 0.000 0.927 565 L HN 0.296 nan 8.230 nan 0.000 0.446 566 I N 0.332 121.054 120.570 0.253 0.000 2.252 566 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 566 I C 2.848 179.145 176.117 0.300 0.000 1.102 566 I CA 1.087 62.530 61.300 0.238 0.000 1.385 566 I CB -0.419 37.777 38.000 0.326 0.000 1.064 566 I HN 0.188 nan 8.210 nan 0.000 0.414 567 A N 0.969 124.072 122.820 0.471 0.000 1.902 567 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 567 A C 2.571 180.150 177.584 -0.007 0.000 1.181 567 A CA 1.926 54.190 52.037 0.379 0.000 0.623 567 A CB -0.827 18.380 19.000 0.344 0.000 0.818 567 A HN 0.428 nan 8.150 nan 0.000 0.443 568 A N -0.394 122.462 122.820 0.060 0.000 1.908 568 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 568 A C 2.189 179.676 177.584 -0.161 0.000 1.181 568 A CA 2.184 54.131 52.037 -0.149 0.000 0.627 568 A CB -0.449 18.599 19.000 0.079 0.000 0.818 568 A HN 0.452 nan 8.150 nan 0.000 0.445 569 R N 0.104 120.578 120.500 -0.042 0.000 2.081 569 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 569 R C 1.800 178.082 176.300 -0.030 0.000 1.131 569 R CA 1.790 57.862 56.100 -0.046 0.000 0.960 569 R CB -0.714 29.549 30.300 -0.062 0.000 0.856 569 R HN 0.589 nan 8.270 nan 0.000 0.436 570 I N -0.045 120.528 120.570 0.006 0.000 2.179 570 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 570 I C 2.322 178.395 176.117 -0.072 0.000 1.088 570 I CA 1.400 62.733 61.300 0.054 0.000 1.357 570 I CB -0.462 37.656 38.000 0.197 0.000 1.051 570 I HN 0.285 nan 8.210 nan 0.000 0.409 571 A N 0.958 123.630 122.820 -0.248 0.000 1.883 571 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 571 A C 2.080 179.550 177.584 -0.190 0.000 1.186 571 A CA 1.981 53.835 52.037 -0.306 0.000 0.624 571 A CB -0.736 17.557 19.000 -1.178 0.000 0.822 571 A HN 0.426 nan 8.150 nan 0.000 0.444 572 N N 0.263 118.851 118.700 -0.186 0.000 2.223 572 N HA -0.088 4.652 4.740 -0.000 0.000 0.185 572 N C 1.844 177.300 175.510 -0.091 0.000 1.016 572 N CA 1.381 54.378 53.050 -0.089 0.000 0.863 572 N CB -0.461 37.986 38.487 -0.067 0.000 0.983 572 N HN 0.496 nan 8.380 nan 0.000 0.429 573 A N 1.015 123.774 122.820 -0.102 0.000 1.898 573 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 573 A C 2.387 179.860 177.584 -0.185 0.000 1.181 573 A CA 0.767 52.745 52.037 -0.098 0.000 0.620 573 A CB -0.608 18.364 19.000 -0.047 0.000 0.819 573 A HN 0.179 nan 8.150 nan 0.000 0.442 574 L N -1.126 119.916 121.223 -0.301 0.000 2.093 574 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 574 L C 2.761 179.378 176.870 -0.421 0.000 1.085 574 L CA 1.537 56.053 54.840 -0.539 0.000 0.755 574 L CB -0.362 41.057 42.059 -1.067 0.000 0.904 574 L HN 0.457 nan 8.230 nan 0.000 0.435 575 R N 0.068 120.410 120.500 -0.263 0.000 2.091 575 R HA -0.227 4.113 4.340 -0.000 0.000 0.238 575 R C 2.103 178.411 176.300 0.012 0.000 1.136 575 R CA 2.029 58.135 56.100 0.009 0.000 0.959 575 R CB -0.334 30.030 30.300 0.107 0.000 0.856 575 R HN 0.375 nan 8.270 nan 0.000 0.437 576 D N -0.010 120.363 120.400 -0.045 0.000 2.117 576 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 576 D C 1.951 178.208 176.300 -0.072 0.000 0.987 576 D CA 1.405 55.382 54.000 -0.039 0.000 0.829 576 D CB 0.079 40.852 40.800 -0.044 0.000 0.961 576 D HN 0.324 nan 8.370 nan 0.000 0.460 577 M N -0.466 119.042 119.600 -0.154 0.000 2.108 577 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 577 M C 2.241 178.401 176.300 -0.233 0.000 1.066 577 M CA 1.346 56.506 55.300 -0.233 0.000 1.107 577 M CB -0.478 31.891 32.600 -0.384 0.000 1.356 577 M HN 0.103 nan 8.290 nan 0.000 0.406 578 Y N 0.725 120.958 120.300 -0.112 0.000 2.200 578 Y HA -0.217 4.333 4.550 0.000 0.000 0.290 578 Y C 2.584 178.467 175.900 -0.028 0.000 1.137 578 Y CA 1.448 59.511 58.100 -0.061 0.000 1.163 578 Y CB -0.656 37.785 38.460 -0.031 0.000 0.988 578 Y HN 0.295 nan 8.280 nan 0.000 0.518 579 Q N 0.044 119.917 119.800 0.121 0.000 2.096 579 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 579 Q C 2.012 178.034 176.000 0.036 0.000 0.982 579 Q CA 1.629 57.476 55.803 0.074 0.000 0.850 579 Q CB -0.173 28.596 28.738 0.051 0.000 0.901 579 Q HN 0.452 nan 8.270 nan 0.000 0.422 580 K N 0.215 120.617 120.400 0.002 0.000 2.288 580 K HA -0.111 4.209 4.320 -0.000 0.000 0.201 580 K C 1.044 177.633 176.600 -0.018 0.000 1.048 580 K CA 0.903 57.181 56.287 -0.016 0.000 0.956 580 K CB 0.139 32.615 32.500 -0.039 0.000 0.746 580 K HN 0.061 nan 8.250 nan 0.000 0.461 581 D N -0.127 120.264 120.400 -0.016 0.000 2.328 581 D HA 0.031 4.671 4.640 -0.000 0.000 0.221 581 D C 0.575 176.893 176.300 0.029 0.000 1.072 581 D CA 0.351 54.343 54.000 -0.012 0.000 0.850 581 D CB 0.192 40.966 40.800 -0.042 0.000 0.922 581 D HN 0.288 nan 8.370 nan 0.000 0.516 582 G N 1.443 110.266 108.800 0.039 0.000 2.225 582 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 582 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 582 G C 0.251 175.189 174.900 0.062 0.000 1.024 582 G CA 0.218 45.343 45.100 0.042 0.000 0.784 582 G HN 0.401 nan 8.290 nan 0.000 0.507 583 K N 0.145 120.610 120.400 0.109 0.000 2.385 583 K HA 0.607 4.927 4.320 -0.000 0.000 0.229 583 K C 1.659 178.307 176.600 0.081 0.000 1.089 583 K CA 0.089 56.444 56.287 0.114 0.000 1.060 583 K CB 0.742 33.379 32.500 0.228 0.000 1.698 583 K HN 0.304 nan 8.250 nan 0.000 0.469 584 A N 2.063 124.912 122.820 0.049 0.000 1.940 584 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 584 A C 1.859 179.450 177.584 0.010 0.000 1.176 584 A CA 1.463 53.523 52.037 0.037 0.000 0.631 584 A CB -0.098 18.918 19.000 0.026 0.000 0.814 584 A HN 0.645 nan 8.150 nan 0.000 0.446 585 E N -1.078 119.113 120.200 -0.016 0.000 2.047 585 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 585 E C 2.075 178.621 176.600 -0.090 0.000 0.987 585 E CA 1.231 57.605 56.400 -0.043 0.000 0.799 585 E CB -0.219 29.454 29.700 -0.046 0.000 0.752 585 E HN 0.473 nan 8.360 nan 0.000 0.449 586 M N 0.282 119.780 119.600 -0.170 0.000 2.099 586 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 586 M C 2.465 178.671 176.300 -0.157 0.000 1.067 586 M CA 1.188 56.260 55.300 -0.380 0.000 1.124 586 M CB -1.138 30.828 32.600 -1.057 0.000 1.353 586 M HN 0.079 nan 8.290 nan 0.000 0.410 587 A N 0.135 122.952 122.820 -0.005 0.000 1.978 587 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 587 A C 2.387 180.084 177.584 0.188 0.000 1.170 587 A CA 2.050 54.211 52.037 0.208 0.000 0.636 587 A CB -0.858 18.247 19.000 0.174 0.000 0.810 587 A HN 0.500 nan 8.150 nan 0.000 0.448 588 A N -0.686 122.176 122.820 0.070 0.000 1.969 588 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 588 A C 2.027 179.607 177.584 -0.006 0.000 1.169 588 A CA 1.455 53.514 52.037 0.037 0.000 0.635 588 A CB -0.509 18.492 19.000 0.002 0.000 0.810 588 A HN 0.671 nan 8.150 nan 0.000 0.445 589 Q N -1.550 118.196 119.800 -0.090 0.000 2.234 589 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 589 Q C 0.644 176.400 176.000 -0.408 0.000 0.980 589 Q CA 1.218 56.841 55.803 -0.300 0.000 0.869 589 Q CB -0.225 28.207 28.738 -0.511 0.000 0.912 589 Q HN 0.789 nan 8.270 nan 0.000 0.436 590 F N 0.863 120.835 119.950 0.037 0.000 2.660 590 F HA 0.159 4.686 4.527 -0.000 0.000 0.302 590 F C 0.537 176.427 175.800 0.149 0.000 1.103 590 F CA -0.185 57.867 58.000 0.086 0.000 1.340 590 F CB 0.248 39.267 39.000 0.032 0.000 1.048 590 F HN -0.080 nan 8.300 nan 0.000 0.551 591 E N -0.216 120.101 120.200 0.195 0.000 2.369 591 E HA 0.420 4.770 4.350 -0.000 0.000 0.255 591 E C 1.156 177.820 176.600 0.107 0.000 1.172 591 E CA 0.352 56.840 56.400 0.147 0.000 0.932 591 E CB 0.434 30.178 29.700 0.073 0.000 1.040 591 E HN 0.236 nan 8.360 nan 0.000 0.454 592 G N 0.694 109.505 108.800 0.019 0.000 2.130 592 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 592 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 592 G C -0.023 174.557 174.900 -0.533 0.000 0.999 592 G CA -0.276 44.734 45.100 -0.150 0.000 0.686 592 G HN 0.393 nan 8.290 nan 0.000 0.515 593 F N 0.540 120.196 119.950 -0.489 0.000 2.810 593 F HA 0.331 4.858 4.527 -0.000 0.000 0.353 593 F C 0.625 175.959 175.800 -0.777 0.000 1.227 593 F CA -0.806 56.502 58.000 -1.154 0.000 1.210 593 F CB 0.974 39.465 39.000 -0.848 0.000 1.039 593 F HN 0.092 nan 8.300 nan 0.000 0.509 594 D N 1.144 121.403 120.400 -0.234 0.000 2.688 594 D HA 0.001 4.641 4.640 -0.000 0.000 0.228 594 D C -0.836 175.607 176.300 0.239 0.000 1.116 594 D CA 0.169 54.183 54.000 0.022 0.000 1.023 594 D CB -0.038 40.807 40.800 0.075 0.000 1.100 594 D HN -0.002 nan 8.370 nan 0.000 0.487 595 W N 2.165 123.540 121.300 0.125 0.000 2.573 595 W HA 0.368 5.028 4.660 -0.000 0.000 0.326 595 W C 0.884 177.445 176.519 0.070 0.000 1.049 595 W CA -1.003 56.402 57.345 0.100 0.000 1.220 595 W CB 1.367 30.909 29.460 0.138 0.000 1.373 595 W HN 0.007 nan 8.180 nan 0.000 0.507 596 K N 0.731 121.291 120.400 0.266 0.000 2.348 596 K HA 0.127 4.447 4.320 -0.000 0.000 0.194 596 K C 0.506 177.179 176.600 0.121 0.000 1.052 596 K CA 0.469 56.846 56.287 0.151 0.000 1.004 596 K CB 0.872 33.431 32.500 0.098 0.000 0.873 596 K HN 0.383 nan 8.250 nan 0.000 0.523 597 T N 0.381 115.005 114.554 0.118 0.000 2.843 597 T HA 0.098 4.448 4.350 -0.000 0.000 0.302 597 T C 0.392 175.121 174.700 0.047 0.000 1.232 597 T CA -0.531 61.613 62.100 0.072 0.000 1.009 597 T CB 1.562 70.454 68.868 0.039 0.000 1.254 597 T HN 0.100 nan 8.240 nan 0.000 0.504 598 E N 1.591 121.825 120.200 0.056 0.000 2.204 598 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 598 E C 1.361 177.946 176.600 -0.025 0.000 0.990 598 E CA 1.335 57.760 56.400 0.043 0.000 0.821 598 E CB -0.181 29.574 29.700 0.093 0.000 0.750 598 E HN 0.858 nan 8.360 nan 0.000 0.477 599 E N 1.095 121.248 120.200 -0.078 0.000 2.204 599 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 599 E C 1.183 177.610 176.600 -0.288 0.000 0.990 599 E CA 1.135 57.311 56.400 -0.374 0.000 0.821 599 E CB 0.094 29.440 29.700 -0.589 0.000 0.750 599 E HN 0.182 nan 8.360 nan 0.000 0.477 600 D N 0.171 120.420 120.400 -0.251 0.000 2.178 600 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 600 D C 1.715 177.611 176.300 -0.674 0.000 0.980 600 D CA 1.230 55.020 54.000 -0.351 0.000 0.842 600 D CB -0.134 40.523 40.800 -0.239 0.000 0.948 600 D HN 0.303 nan 8.370 nan 0.000 0.472 601 A N 0.033 122.389 122.820 -0.774 0.000 1.970 601 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 601 A C 2.042 179.452 177.584 -0.290 0.000 1.170 601 A CA 0.434 51.966 52.037 -0.842 0.000 0.645 601 A CB -0.826 17.808 19.000 -0.610 0.000 0.816 601 A HN 0.230 nan 8.150 nan 0.000 0.447 602 F N 1.157 120.923 119.950 -0.306 0.000 2.102 602 F HA -0.205 4.322 4.527 0.000 0.000 0.298 602 F C 2.150 177.795 175.800 -0.259 0.000 1.105 602 F CA 1.815 59.688 58.000 -0.212 0.000 1.239 602 F CB -0.027 38.846 39.000 -0.211 0.000 0.991 602 F HN 0.203 nan 8.300 nan 0.000 0.474 603 N N 0.374 118.901 118.700 -0.288 0.000 2.244 603 N HA -0.198 4.542 4.740 -0.000 0.000 0.183 603 N C 1.309 176.609 175.510 -0.350 0.000 1.016 603 N CA 1.700 54.561 53.050 -0.316 0.000 0.866 603 N CB -0.560 37.801 38.487 -0.209 0.000 0.980 603 N HN 0.419 nan 8.380 nan 0.000 0.430 604 D N -0.683 119.498 120.400 -0.366 0.000 2.289 604 D HA 0.038 4.678 4.640 -0.000 0.000 0.207 604 D C 1.570 177.419 176.300 -0.751 0.000 0.966 604 D CA 0.830 54.654 54.000 -0.294 0.000 0.868 604 D CB 0.077 40.915 40.800 0.064 0.000 0.943 604 D HN 0.243 nan 8.370 nan 0.000 0.514 605 G N -0.872 107.196 108.800 -1.220 0.000 2.534 605 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.220 605 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.220 605 G C 1.163 175.493 174.900 -0.949 0.000 1.699 605 G CA -0.023 43.893 45.100 -1.973 0.000 0.769 605 G HN 0.263 nan 8.290 nan 0.000 0.632 606 F N 1.893 121.352 119.950 -0.818 0.000 2.091 606 F HA -0.082 4.445 4.527 0.000 0.000 0.299 606 F C 2.794 178.169 175.800 -0.708 0.000 1.103 606 F CA 1.872 59.433 58.000 -0.732 0.000 1.228 606 F CB 0.156 38.596 39.000 -0.933 0.000 0.984 606 F HN -0.042 nan 8.300 nan 0.000 0.477 607 R N -0.315 119.872 120.500 -0.521 0.000 2.307 607 R HA 0.022 4.362 4.340 -0.000 0.000 0.199 607 R C 1.818 177.937 176.300 -0.302 0.000 1.000 607 R CA 0.406 56.281 56.100 -0.375 0.000 1.023 607 R CB -0.141 29.939 30.300 -0.366 0.000 0.908 607 R HN 0.345 nan 8.270 nan 0.000 0.473 608 R N 0.237 120.505 120.500 -0.387 0.000 2.308 608 R HA 0.214 4.554 4.340 -0.000 0.000 0.202 608 R C 0.260 176.389 176.300 -0.285 0.000 0.898 608 R CA -0.029 55.887 56.100 -0.306 0.000 1.046 608 R CB 0.627 30.739 30.300 -0.313 0.000 1.026 608 R HN 0.005 nan 8.270 nan 0.000 0.512 609 A N 0.847 123.455 122.820 -0.353 0.000 2.561 609 A HA 0.291 4.611 4.320 -0.000 0.000 0.251 609 A C 1.196 178.668 177.584 -0.186 0.000 1.062 609 A CA 1.129 52.998 52.037 -0.279 0.000 0.761 609 A CB -0.429 18.362 19.000 -0.348 0.000 0.986 609 A HN 0.556 nan 8.150 nan 0.000 0.510 610 G N 1.298 110.021 108.800 -0.129 0.000 2.189 610 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.267 610 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.267 610 G C 0.237 175.077 174.900 -0.100 0.000 0.975 610 G CA 0.621 45.666 45.100 -0.092 0.000 0.644 610 G HN 0.894 nan 8.290 nan 0.000 0.537 611 Q N 0.259 119.981 119.800 -0.130 0.000 2.260 611 Q HA 0.452 4.792 4.340 -0.000 0.000 0.238 611 Q C -2.282 173.651 176.000 -0.112 0.000 0.948 611 Q CA -2.000 53.712 55.803 -0.151 0.000 0.895 611 Q CB 0.141 28.762 28.738 -0.197 0.000 1.218 611 Q HN 0.177 nan 8.270 nan 0.000 0.470 612 P HA 0.039 nan 4.420 nan 0.000 0.261 612 P C 0.525 177.786 177.300 -0.065 0.000 1.183 612 P CA 1.189 64.243 63.100 -0.076 0.000 0.761 612 P CB 0.199 31.854 31.700 -0.076 0.000 0.785 613 G N 2.112 110.883 108.800 -0.047 0.000 2.205 613 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.261 613 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.261 613 G C 0.461 175.341 174.900 -0.033 0.000 0.980 613 G CA 0.005 45.084 45.100 -0.036 0.000 0.632 613 G HN 0.861 nan 8.290 nan 0.000 0.533 614 A N 1.105 123.896 122.820 -0.047 0.000 2.322 614 A HA 0.762 5.082 4.320 -0.000 0.000 0.269 614 A C -0.569 177.005 177.584 -0.015 0.000 1.094 614 A CA -0.313 51.698 52.037 -0.043 0.000 0.807 614 A CB 0.447 19.394 19.000 -0.089 0.000 1.047 614 A HN 0.375 nan 8.150 nan 0.000 0.487 615 P HA 0.434 nan 4.420 nan 0.000 0.279 615 P C -0.341 176.990 177.300 0.052 0.000 1.282 615 P CA -0.288 62.840 63.100 0.046 0.000 0.788 615 P CB 0.621 32.376 31.700 0.092 0.000 1.139 616 A N 0.758 123.617 122.820 0.066 0.000 2.522 616 A HA 0.368 4.688 4.320 -0.000 0.000 0.256 616 A C 0.253 177.917 177.584 0.133 0.000 1.086 616 A CA 0.115 52.196 52.037 0.075 0.000 0.763 616 A CB -1.077 17.964 19.000 0.068 0.000 1.024 616 A HN 0.435 nan 8.150 nan 0.000 0.502 617 I N 2.698 123.329 120.570 0.102 0.000 2.512 617 I HA 0.226 4.396 4.170 -0.000 0.000 0.287 617 I C -1.132 175.059 176.117 0.123 0.000 1.069 617 I CA -0.687 60.690 61.300 0.129 0.000 1.056 617 I CB 2.261 40.224 38.000 -0.060 0.000 1.229 617 I HN 0.503 nan 8.210 nan 0.000 0.429 618 D N 4.856 125.397 120.400 0.236 0.000 2.359 618 D HA 0.322 4.962 4.640 -0.000 0.000 0.230 618 D C -0.502 175.992 176.300 0.324 0.000 1.118 618 D CA 0.189 54.356 54.000 0.280 0.000 0.844 618 D CB 1.926 42.977 40.800 0.419 0.000 1.059 618 D HN 0.334 nan 8.370 nan 0.000 0.493 619 S N 1.866 117.677 115.700 0.186 0.000 2.571 619 S HA 0.127 4.597 4.470 -0.000 0.000 0.284 619 S C 0.753 175.436 174.600 0.138 0.000 1.128 619 S CA -0.577 57.721 58.200 0.163 0.000 0.970 619 S CB 1.538 64.650 63.200 -0.146 0.000 1.039 619 S HN 0.256 nan 8.310 nan 0.000 0.485 620 Q N 2.667 122.668 119.800 0.336 0.000 2.439 620 Q HA -0.004 4.336 4.340 -0.000 0.000 0.211 620 Q C 1.714 177.780 176.000 0.111 0.000 0.978 620 Q CA 1.239 57.220 55.803 0.296 0.000 0.897 620 Q CB -0.129 28.922 28.738 0.522 0.000 0.956 620 Q HN 0.866 nan 8.270 nan 0.000 0.483 621 G N -0.054 108.619 108.800 -0.212 0.000 2.777 621 G HA2 0.292 4.252 3.960 -0.000 0.000 0.211 621 G HA3 0.292 4.252 3.960 -0.000 0.000 0.211 621 G C 0.704 175.337 174.900 -0.446 0.000 1.149 621 G CA 0.216 44.992 45.100 -0.540 0.000 0.785 621 G HN 0.494 nan 8.290 nan 0.000 0.536 622 G N 0.052 108.660 108.800 -0.320 0.000 2.692 622 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.248 622 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.248 622 G C 1.280 176.024 174.900 -0.260 0.000 1.340 622 G CA 0.833 45.807 45.100 -0.212 0.000 0.896 622 G HN 1.267 nan 8.290 nan 0.000 0.570 623 S N -1.641 113.970 115.700 -0.149 0.000 2.561 623 S HA 0.090 4.560 4.470 -0.000 0.000 0.225 623 S C 1.930 176.507 174.600 -0.038 0.000 0.977 623 S CA 1.841 59.981 58.200 -0.099 0.000 0.926 623 S CB -0.285 62.885 63.200 -0.050 0.000 0.769 623 S HN 2.034 nan 8.310 nan 0.000 0.533 624 T N -2.691 111.785 114.554 -0.130 0.000 3.122 624 T HA 0.387 4.737 4.350 -0.000 0.000 0.250 624 T C 1.733 176.197 174.700 -0.393 0.000 1.067 624 T CA 0.274 62.241 62.100 -0.222 0.000 0.966 624 T CB 0.005 68.782 68.868 -0.151 0.000 1.002 624 T HN 0.338 nan 8.240 nan 0.000 0.542 625 G N 2.396 110.954 108.800 -0.404 0.000 2.475 625 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.220 625 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.220 625 G C 1.267 176.013 174.900 -0.256 0.000 1.125 625 G CA 1.169 45.952 45.100 -0.528 0.000 0.755 625 G HN 0.894 nan 8.290 nan 0.000 0.565 626 H N -0.109 118.837 119.070 -0.206 0.000 2.518 626 H HA 0.110 4.666 4.556 -0.000 0.000 0.292 626 H C 2.090 177.362 175.328 -0.092 0.000 1.068 626 H CA 0.926 56.883 56.048 -0.152 0.000 1.275 626 H CB -0.417 29.248 29.762 -0.161 0.000 1.375 626 H HN 0.349 nan 8.280 nan 0.000 0.563 627 L N 0.626 121.479 121.223 -0.618 0.000 2.376 627 L HA 0.039 4.379 4.340 -0.000 0.000 0.219 627 L C 0.252 177.003 176.870 -0.200 0.000 1.133 627 L CA -0.063 54.575 54.840 -0.336 0.000 0.816 627 L CB 0.044 41.960 42.059 -0.239 0.000 0.933 627 L HN 0.158 nan 8.230 nan 0.000 0.449 628 V N 0.121 120.003 119.914 -0.055 0.000 2.546 628 V HA 0.306 4.426 4.120 -0.000 0.000 0.284 628 V C 0.365 176.532 176.094 0.121 0.000 1.050 628 V CA -0.255 62.079 62.300 0.057 0.000 0.981 628 V CB 1.211 33.175 31.823 0.235 0.000 0.990 628 V HN 0.356 nan 8.190 nan 0.000 0.474 629 T N 0.488 115.081 114.554 0.065 0.000 2.864 629 T HA 0.452 4.802 4.350 -0.000 0.000 0.299 629 T C 0.573 175.346 174.700 0.121 0.000 1.166 629 T CA -0.599 61.572 62.100 0.118 0.000 1.007 629 T CB 1.073 69.905 68.868 -0.059 0.000 1.219 629 T HN 0.385 nan 8.240 nan 0.000 0.506 630 Y N 0.294 120.513 120.300 -0.134 0.000 2.165 630 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 630 Y C 2.202 178.024 175.900 -0.131 0.000 1.155 630 Y CA 0.894 58.873 58.100 -0.203 0.000 1.164 630 Y CB -0.050 38.296 38.460 -0.189 0.000 0.978 630 Y HN 0.645 nan 8.280 nan 0.000 0.513 631 D N -0.263 120.179 120.400 0.071 0.000 2.144 631 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 631 D C 2.090 178.391 176.300 0.003 0.000 0.978 631 D CA 1.069 55.082 54.000 0.022 0.000 0.833 631 D CB -0.192 40.610 40.800 0.004 0.000 0.961 631 D HN 0.292 nan 8.370 nan 0.000 0.470 632 R N -0.110 120.373 120.500 -0.029 0.000 2.073 632 R HA 0.058 4.398 4.340 -0.000 0.000 0.229 632 R C 2.468 178.775 176.300 0.011 0.000 1.120 632 R CA 0.476 56.570 56.100 -0.011 0.000 0.967 632 R CB -0.204 30.015 30.300 -0.135 0.000 0.862 632 R HN 0.192 nan 8.270 nan 0.000 0.436 633 L N 0.136 121.343 121.223 -0.027 0.000 2.046 633 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 633 L C 2.760 179.598 176.870 -0.054 0.000 1.077 633 L CA 1.262 56.069 54.840 -0.055 0.000 0.747 633 L CB -0.381 41.596 42.059 -0.137 0.000 0.896 633 L HN 0.190 nan 8.230 nan 0.000 0.432 634 R N 0.586 121.050 120.500 -0.059 0.000 2.091 634 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 634 R C 2.303 178.597 176.300 -0.009 0.000 1.136 634 R CA 1.602 57.674 56.100 -0.046 0.000 0.959 634 R CB -0.038 30.238 30.300 -0.039 0.000 0.856 634 R HN 0.238 nan 8.270 nan 0.000 0.437 635 K N -0.394 120.014 120.400 0.014 0.000 2.147 635 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 635 K C 1.878 178.499 176.600 0.035 0.000 1.049 635 K CA 1.521 57.829 56.287 0.036 0.000 0.936 635 K CB 0.077 32.620 32.500 0.070 0.000 0.722 635 K HN 0.114 nan 8.250 nan 0.000 0.446 636 S N 0.091 115.809 115.700 0.030 0.000 2.515 636 S HA 0.038 4.508 4.470 -0.000 0.000 0.231 636 S C 0.859 175.464 174.600 0.009 0.000 0.987 636 S CA 0.519 58.734 58.200 0.025 0.000 0.936 636 S CB -0.059 63.154 63.200 0.023 0.000 0.766 636 S HN 0.635 nan 8.310 nan 0.000 0.528 637 G N 2.292 111.094 108.800 0.002 0.000 2.645 637 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.246 637 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.246 637 G C 0.243 175.131 174.900 -0.020 0.000 1.322 637 G CA 0.040 45.142 45.100 0.003 0.000 0.898 637 G HN 0.330 nan 8.290 nan 0.000 0.573 638 N N 0.958 119.641 118.700 -0.030 0.000 2.512 638 N HA -0.054 4.686 4.740 -0.000 0.000 0.183 638 N C 1.831 177.317 175.510 -0.040 0.000 1.073 638 N CA 0.959 53.977 53.050 -0.054 0.000 0.911 638 N CB -0.249 38.176 38.487 -0.104 0.000 0.964 638 N HN 0.446 nan 8.380 nan 0.000 0.447 639 N N 0.671 119.356 118.700 -0.026 0.000 2.409 639 N HA -0.019 4.721 4.740 -0.000 0.000 0.179 639 N C 1.462 176.959 175.510 -0.022 0.000 1.032 639 N CA 0.716 53.754 53.050 -0.021 0.000 0.898 639 N CB -0.154 38.326 38.487 -0.010 0.000 0.971 639 N HN 0.232 nan 8.380 nan 0.000 0.441 640 G N 0.503 109.292 108.800 -0.019 0.000 2.627 640 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.312 640 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.312 640 G C -0.273 174.626 174.900 -0.003 0.000 1.299 640 G CA 0.525 45.615 45.100 -0.016 0.000 0.989 640 G HN 0.494 nan 8.290 nan 0.000 0.547 641 V N -0.113 119.801 119.914 0.001 0.000 2.932 641 V HA 0.621 4.741 4.120 -0.000 0.000 0.307 641 V C -0.423 175.671 176.094 -0.000 0.000 1.147 641 V CA -0.389 61.915 62.300 0.007 0.000 0.951 641 V CB 1.920 33.763 31.823 0.033 0.000 1.031 641 V HN 0.930 nan 8.190 nan 0.000 0.426 642 Q N 4.600 124.389 119.800 -0.018 0.000 2.288 642 Q HA 0.502 4.842 4.340 -0.000 0.000 0.258 642 Q C -0.707 175.289 176.000 -0.007 0.000 0.957 642 Q CA -0.239 55.546 55.803 -0.030 0.000 0.919 642 Q CB 1.570 30.271 28.738 -0.061 0.000 1.185 642 Q HN 0.625 nan 8.270 nan 0.000 0.408 643 L N 5.070 126.303 121.223 0.017 0.000 2.436 643 L HA 0.326 4.666 4.340 -0.000 0.000 0.265 643 L C -1.962 174.901 176.870 -0.012 0.000 1.168 643 L CA -1.974 52.883 54.840 0.028 0.000 0.815 643 L CB 0.232 42.341 42.059 0.083 0.000 1.109 643 L HN 0.391 nan 8.230 nan 0.000 0.462 644 P HA 0.105 nan 4.420 nan 0.000 0.278 644 P C -0.619 176.668 177.300 -0.023 0.000 1.238 644 P CA -0.352 62.731 63.100 -0.029 0.000 0.794 644 P CB 1.010 32.680 31.700 -0.050 0.000 0.955 645 V N 3.723 123.627 119.914 -0.017 0.000 2.572 645 V HA -0.043 4.077 4.120 -0.000 0.000 0.291 645 V C 1.821 177.904 176.094 -0.018 0.000 1.039 645 V CA 0.349 62.646 62.300 -0.005 0.000 1.055 645 V CB 0.920 32.744 31.823 0.001 0.000 0.969 645 V HN 0.363 nan 8.190 nan 0.000 0.482 646 V N 3.435 123.346 119.914 -0.005 0.000 2.685 646 V HA 0.104 4.224 4.120 -0.000 0.000 0.244 646 V C 0.804 176.903 176.094 0.009 0.000 1.054 646 V CA 1.448 63.744 62.300 -0.007 0.000 1.076 646 V CB 0.551 32.367 31.823 -0.012 0.000 0.725 646 V HN 1.023 nan 8.190 nan 0.000 0.467 647 S N -2.442 113.276 115.700 0.029 0.000 2.611 647 S HA 0.568 5.038 4.470 -0.000 0.000 0.268 647 S C -1.945 172.730 174.600 0.124 0.000 1.156 647 S CA -0.768 57.464 58.200 0.053 0.000 0.817 647 S CB 2.108 65.311 63.200 0.006 0.000 1.122 647 S HN 0.304 nan 8.310 nan 0.000 0.466 648 W N 1.492 122.777 121.300 -0.026 0.000 3.372 648 W HA 0.612 5.272 4.660 -0.000 0.000 0.315 648 W C -2.336 174.178 176.519 -0.008 0.000 1.223 648 W CA -0.083 57.250 57.345 -0.019 0.000 1.202 648 W CB 1.456 30.902 29.460 -0.023 0.000 1.367 648 W HN 1.227 nan 8.180 nan 0.000 0.531 649 D N 2.063 121.466 120.400 -1.661 0.000 2.653 649 D HA 0.201 4.841 4.640 -0.000 0.000 0.258 649 D C 0.334 175.633 176.300 -1.669 0.000 1.252 649 D CA -0.551 52.418 54.000 -1.719 0.000 0.777 649 D CB 1.190 41.591 40.800 -0.666 0.000 1.339 649 D HN 0.257 nan 8.370 nan 0.000 0.422 650 E N 0.192 119.760 120.200 -1.052 0.000 2.118 650 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 650 E C 1.827 178.276 176.600 -0.252 0.000 0.992 650 E CA 1.929 58.095 56.400 -0.390 0.000 0.804 650 E CB -0.267 29.364 29.700 -0.114 0.000 0.741 650 E HN 0.580 nan 8.360 nan 0.000 0.458 651 S N 0.463 116.002 115.700 -0.268 0.000 2.395 651 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 651 S C 1.785 176.288 174.600 -0.161 0.000 1.027 651 S CA 0.730 58.830 58.200 -0.168 0.000 0.965 651 S CB 0.020 63.134 63.200 -0.143 0.000 0.812 651 S HN 0.121 nan 8.310 nan 0.000 0.482 652 K N 0.835 121.096 120.400 -0.231 0.000 2.334 652 K HA 0.371 4.691 4.320 -0.000 0.000 0.195 652 K C 1.254 177.768 176.600 -0.144 0.000 1.045 652 K CA 0.354 56.539 56.287 -0.171 0.000 1.004 652 K CB 0.156 32.552 32.500 -0.172 0.000 0.837 652 K HN 0.529 nan 8.250 nan 0.000 0.510 653 G N 1.843 110.507 108.800 -0.228 0.000 2.642 653 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.231 653 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.231 653 G C -0.563 174.370 174.900 0.056 0.000 1.338 653 G CA -0.775 44.314 45.100 -0.019 0.000 0.883 653 G HN 0.111 nan 8.290 nan 0.000 0.570 654 L N -0.099 121.281 121.223 0.261 0.000 2.367 654 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 654 L C 0.487 177.410 176.870 0.089 0.000 1.129 654 L CA -0.630 54.354 54.840 0.240 0.000 0.839 654 L CB 1.133 43.312 42.059 0.201 0.000 1.133 654 L HN 0.434 nan 8.230 nan 0.000 0.453 655 V N 3.249 123.199 119.914 0.060 0.000 2.448 655 V HA 0.636 4.756 4.120 -0.000 0.000 0.295 655 V C 0.597 176.699 176.094 0.014 0.000 1.025 655 V CA -0.311 61.998 62.300 0.016 0.000 0.859 655 V CB 1.316 33.133 31.823 -0.009 0.000 0.988 655 V HN 0.930 nan 8.190 nan 0.000 0.431 656 G N 3.318 112.119 108.800 0.002 0.000 3.008 656 G HA2 0.661 4.621 3.960 -0.000 0.000 0.181 656 G HA3 0.661 4.621 3.960 -0.000 0.000 0.181 656 G C -0.620 174.266 174.900 -0.023 0.000 1.309 656 G CA -0.416 44.680 45.100 -0.007 0.000 1.009 656 G HN 0.540 nan 8.290 nan 0.000 0.584 657 T N 0.213 114.746 114.554 -0.034 0.000 2.881 657 T HA 0.368 4.718 4.350 -0.000 0.000 0.291 657 T C 0.469 175.135 174.700 -0.057 0.000 0.990 657 T CA -0.378 61.693 62.100 -0.050 0.000 0.976 657 T CB 2.379 71.208 68.868 -0.065 0.000 0.970 657 T HN 0.538 nan 8.240 nan 0.000 0.438 658 E N 2.302 122.471 120.200 -0.052 0.000 2.051 658 E HA 0.134 4.484 4.350 -0.000 0.000 0.189 658 E C 0.546 177.114 176.600 -0.053 0.000 0.979 658 E CA 0.643 57.013 56.400 -0.050 0.000 0.803 658 E CB 0.431 30.112 29.700 -0.031 0.000 0.761 658 E HN 0.482 nan 8.360 nan 0.000 0.451 659 M N 0.970 120.536 119.600 -0.056 0.000 2.446 659 M HA 0.341 4.821 4.480 -0.000 0.000 0.294 659 M C -1.756 174.464 176.300 -0.133 0.000 1.158 659 M CA -0.513 54.750 55.300 -0.062 0.000 0.899 659 M CB 1.698 34.290 32.600 -0.013 0.000 1.687 659 M HN -0.098 nan 8.290 nan 0.000 0.455 660 L N 4.423 125.509 121.223 -0.228 0.000 2.399 660 L HA 0.447 4.787 4.340 -0.000 0.000 0.265 660 L C -0.668 175.926 176.870 -0.460 0.000 1.089 660 L CA -0.731 53.795 54.840 -0.524 0.000 0.802 660 L CB 0.651 42.135 42.059 -0.958 0.000 1.180 660 L HN 0.921 nan 8.230 nan 0.000 0.454 661 Y N -1.027 119.187 120.300 -0.144 0.000 4.569 661 Y HA -0.258 4.292 4.550 -0.000 0.000 0.237 661 Y C 1.858 177.641 175.900 -0.195 0.000 1.090 661 Y CA 0.715 58.630 58.100 -0.307 0.000 2.052 661 Y CB -2.830 35.435 38.460 -0.326 0.000 1.621 661 Y HN 0.807 nan 8.280 nan 0.000 0.682 662 T N -3.236 111.296 114.554 -0.037 0.000 3.051 662 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 662 T C 0.992 175.694 174.700 0.003 0.000 1.127 662 T CA 1.594 63.699 62.100 0.008 0.000 1.107 662 T CB 0.010 68.879 68.868 0.002 0.000 0.898 662 T HN 0.632 nan 8.240 nan 0.000 0.517 663 E N 0.330 120.494 120.200 -0.060 0.000 2.603 663 E HA 0.379 4.729 4.350 -0.000 0.000 0.211 663 E C 1.210 177.676 176.600 -0.224 0.000 0.995 663 E CA -0.078 56.279 56.400 -0.072 0.000 0.990 663 E CB 0.501 30.177 29.700 -0.040 0.000 1.036 663 E HN 0.555 nan 8.360 nan 0.000 0.475 664 G N 2.618 111.228 108.800 -0.316 0.000 2.153 664 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.252 664 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.252 664 G C 0.041 174.638 174.900 -0.506 0.000 0.994 664 G CA 0.214 44.985 45.100 -0.549 0.000 0.698 664 G HN 0.148 nan 8.290 nan 0.000 0.521 665 K N 0.304 120.450 120.400 -0.424 0.000 2.266 665 K HA 0.535 4.855 4.320 -0.000 0.000 0.274 665 K C -0.181 176.231 176.600 -0.314 0.000 1.090 665 K CA -0.487 55.674 56.287 -0.210 0.000 0.925 665 K CB 0.441 32.895 32.500 -0.076 0.000 1.225 665 K HN 0.151 nan 8.250 nan 0.000 0.458 666 F N 0.746 120.709 119.950 0.022 0.000 2.380 666 F HA 0.116 4.643 4.527 -0.000 0.000 0.319 666 F C 1.103 176.886 175.800 -0.029 0.000 1.113 666 F CA -0.631 57.304 58.000 -0.110 0.000 1.056 666 F CB 0.717 39.540 39.000 -0.296 0.000 1.289 666 F HN 0.367 nan 8.300 nan 0.000 0.515 667 D N 1.332 121.823 120.400 0.152 0.000 2.619 667 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 667 D C -0.002 176.308 176.300 0.018 0.000 1.133 667 D CA 0.250 54.315 54.000 0.108 0.000 1.017 667 D CB -0.285 40.608 40.800 0.154 0.000 1.077 667 D HN 0.572 nan 8.370 nan 0.000 0.503 668 T N -2.989 111.561 114.554 -0.006 0.000 2.812 668 T HA 0.182 4.532 4.350 -0.000 0.000 0.294 668 T C 1.041 175.753 174.700 0.019 0.000 1.159 668 T CA -0.856 61.198 62.100 -0.077 0.000 1.008 668 T CB 2.016 70.671 68.868 -0.354 0.000 1.289 668 T HN -0.068 nan 8.240 nan 0.000 0.514 669 D N 0.812 121.248 120.400 0.060 0.000 2.149 669 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 669 D C 0.967 177.323 176.300 0.094 0.000 0.990 669 D CA 1.900 55.950 54.000 0.084 0.000 0.839 669 D CB -0.532 40.327 40.800 0.099 0.000 0.948 669 D HN 0.747 nan 8.370 nan 0.000 0.460 670 D N -1.918 118.562 120.400 0.134 0.000 2.363 670 D HA 0.226 4.866 4.640 -0.000 0.000 0.214 670 D C 1.683 178.059 176.300 0.126 0.000 1.093 670 D CA 0.402 54.479 54.000 0.128 0.000 0.837 670 D CB -0.013 40.874 40.800 0.147 0.000 0.948 670 D HN 0.368 nan 8.370 nan 0.000 0.507 671 G N 0.230 109.099 108.800 0.115 0.000 2.184 671 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.264 671 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.264 671 G C 0.164 175.196 174.900 0.221 0.000 0.975 671 G CA 0.399 45.578 45.100 0.132 0.000 0.642 671 G HN 0.476 nan 8.290 nan 0.000 0.536 672 K N 0.470 120.993 120.400 0.205 0.000 2.110 672 K HA 0.718 5.038 4.320 -0.000 0.000 0.263 672 K C 0.532 177.146 176.600 0.024 0.000 0.975 672 K CA -0.128 56.291 56.287 0.219 0.000 0.895 672 K CB 1.714 34.334 32.500 0.201 0.000 1.060 672 K HN 0.437 nan 8.250 nan 0.000 0.448 673 A N 2.253 124.900 122.820 -0.288 0.000 2.425 673 A HA 0.160 4.480 4.320 -0.000 0.000 0.249 673 A C -0.788 176.666 177.584 -0.217 0.000 1.084 673 A CA -0.109 51.497 52.037 -0.719 0.000 0.781 673 A CB -0.113 18.084 19.000 -1.339 0.000 1.019 673 A HN 0.753 nan 8.150 nan 0.000 0.490 674 H N 1.150 120.017 119.070 -0.340 0.000 2.511 674 H HA 0.371 4.927 4.556 -0.000 0.000 0.328 674 H C -1.039 174.160 175.328 -0.215 0.000 1.044 674 H CA -0.608 55.335 56.048 -0.175 0.000 1.212 674 H CB 1.006 30.720 29.762 -0.081 0.000 1.428 674 H HN 0.616 nan 8.280 nan 0.000 0.483 675 F N 2.418 122.368 119.950 0.000 0.000 2.450 675 F HA 0.197 4.724 4.527 -0.000 0.000 0.339 675 F C 0.699 176.461 175.800 -0.064 0.000 1.146 675 F CA 0.315 58.277 58.000 -0.063 0.000 1.267 675 F CB 0.643 39.628 39.000 -0.025 0.000 1.178 675 F HN 0.329 nan 8.300 nan 0.000 0.585 676 K N 2.572 123.016 120.400 0.072 0.000 2.477 676 K HA 0.396 4.716 4.320 -0.000 0.000 0.255 676 K C -2.751 173.857 176.600 0.014 0.000 0.952 676 K CA -2.006 54.300 56.287 0.032 0.000 0.826 676 K CB 2.303 34.788 32.500 -0.025 0.000 1.331 676 K HN 0.213 nan 8.250 nan 0.000 0.437 677 P HA 0.111 nan 4.420 nan 0.000 0.275 677 P C -1.304 176.024 177.300 0.047 0.000 1.227 677 P CA -0.347 62.776 63.100 0.038 0.000 0.781 677 P CB 0.994 32.724 31.700 0.051 0.000 0.906 678 A N 4.342 127.193 122.820 0.052 0.000 2.893 678 A HA 0.471 4.791 4.320 -0.000 0.000 0.333 678 A C -2.446 175.216 177.584 0.129 0.000 1.152 678 A CA -1.507 50.579 52.037 0.082 0.000 0.782 678 A CB 0.394 19.424 19.000 0.049 0.000 1.108 678 A HN 0.342 nan 8.150 nan 0.000 0.469 679 P HA -0.014 nan 4.420 nan 0.000 0.271 679 P C -0.296 177.127 177.300 0.205 0.000 1.216 679 P CA 0.082 63.265 63.100 0.138 0.000 0.771 679 P CB 0.625 32.374 31.700 0.083 0.000 0.864 680 W N 5.368 126.684 121.300 0.027 0.000 2.342 680 W HA 0.157 4.817 4.660 -0.000 0.000 0.310 680 W C -0.439 176.085 176.519 0.010 0.000 1.128 680 W CA -0.521 56.834 57.345 0.017 0.000 1.322 680 W CB 0.550 30.017 29.460 0.011 0.000 1.251 680 W HN 0.358 nan 8.180 nan 0.000 0.439 681 N N 4.355 122.639 118.700 -0.693 0.000 2.205 681 N HA 0.149 4.889 4.740 -0.000 0.000 0.201 681 N C 0.901 175.832 175.510 -0.964 0.000 1.128 681 N CA 0.879 53.525 53.050 -0.674 0.000 0.867 681 N CB 0.961 39.258 38.487 -0.315 0.000 0.996 681 N HN 0.724 nan 8.380 nan 0.000 0.503 682 G N 1.108 108.763 108.800 -1.908 0.000 2.693 682 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.226 682 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.226 682 G C -0.519 173.979 174.900 -0.670 0.000 1.354 682 G CA -0.673 43.684 45.100 -1.239 0.000 0.873 682 G HN 0.147 nan 8.290 nan 0.000 0.562 683 L N 1.447 122.483 121.223 -0.311 0.000 2.436 683 L HA 0.370 4.710 4.340 -0.000 0.000 0.265 683 L C -1.521 175.178 176.870 -0.285 0.000 1.168 683 L CA -1.553 53.175 54.840 -0.187 0.000 0.815 683 L CB 0.607 42.616 42.059 -0.083 0.000 1.109 683 L HN 0.384 nan 8.230 nan 0.000 0.462 684 P HA 0.020 nan 4.420 nan 0.000 0.269 684 P C 0.008 177.137 177.300 -0.286 0.000 1.209 684 P CA -0.089 62.682 63.100 -0.548 0.000 0.776 684 P CB 0.809 31.630 31.700 -1.465 0.000 0.876 685 A N 2.392 125.124 122.820 -0.146 0.000 1.902 685 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 685 A C 2.064 179.649 177.584 0.001 0.000 1.181 685 A CA 2.279 54.283 52.037 -0.054 0.000 0.623 685 A CB -1.867 17.138 19.000 0.008 0.000 0.818 685 A HN 0.545 nan 8.150 nan 0.000 0.443 686 T N -0.312 114.275 114.554 0.055 0.000 2.699 686 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 686 T C 1.850 176.626 174.700 0.128 0.000 1.036 686 T CA 1.790 63.994 62.100 0.173 0.000 1.147 686 T CB -0.390 68.670 68.868 0.320 0.000 0.862 686 T HN 0.200 nan 8.240 nan 0.000 0.446 687 V N 0.993 120.906 119.914 -0.001 0.000 2.407 687 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 687 V C 2.559 178.654 176.094 0.001 0.000 1.041 687 V CA 1.499 63.823 62.300 0.041 0.000 1.040 687 V CB -0.688 31.146 31.823 0.018 0.000 0.671 687 V HN 0.326 nan 8.190 nan 0.000 0.455 688 Q N 0.486 120.230 119.800 -0.093 0.000 2.152 688 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 688 Q C 2.187 178.122 176.000 -0.108 0.000 0.985 688 Q CA 1.977 57.679 55.803 -0.167 0.000 0.863 688 Q CB -0.378 28.270 28.738 -0.151 0.000 0.904 688 Q HN 0.701 nan 8.270 nan 0.000 0.422 689 Q N -1.034 118.759 119.800 -0.012 0.000 2.124 689 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 689 Q C 2.083 178.128 176.000 0.075 0.000 0.977 689 Q CA 1.351 57.169 55.803 0.026 0.000 0.850 689 Q CB 0.017 28.802 28.738 0.078 0.000 0.901 689 Q HN 0.412 nan 8.270 nan 0.000 0.429 690 Q N 0.548 120.455 119.800 0.179 0.000 2.123 690 Q HA -0.105 4.235 4.340 -0.000 0.000 0.199 690 Q C 1.784 177.943 176.000 0.264 0.000 0.966 690 Q CA 1.042 57.062 55.803 0.362 0.000 0.845 690 Q CB -0.156 28.862 28.738 0.466 0.000 0.907 690 Q HN 0.292 nan 8.270 nan 0.000 0.439 691 K N 0.800 121.174 120.400 -0.043 0.000 2.097 691 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 691 K C 0.965 177.392 176.600 -0.287 0.000 1.049 691 K CA 1.411 57.401 56.287 -0.495 0.000 0.933 691 K CB 0.195 31.979 32.500 -1.194 0.000 0.717 691 K HN 0.021 nan 8.250 nan 0.000 0.442 692 D N 0.130 120.412 120.400 -0.197 0.000 2.317 692 D HA -0.091 4.549 4.640 -0.000 0.000 0.211 692 D C 1.520 177.729 176.300 -0.151 0.000 0.966 692 D CA 0.873 54.776 54.000 -0.161 0.000 0.876 692 D CB 0.253 40.974 40.800 -0.131 0.000 0.927 692 D HN 0.279 nan 8.370 nan 0.000 0.519 693 K N -0.977 119.314 120.400 -0.181 0.000 2.276 693 K HA 0.006 4.326 4.320 -0.000 0.000 0.198 693 K C -0.182 176.112 176.600 -0.510 0.000 1.052 693 K CA 0.302 56.356 56.287 -0.388 0.000 0.984 693 K CB 0.449 32.605 32.500 -0.573 0.000 0.836 693 K HN -0.062 nan 8.250 nan 0.000 0.490 694 Y N -0.262 120.064 120.300 0.043 0.000 2.549 694 Y HA 0.333 4.883 4.550 -0.000 0.000 0.339 694 Y C 1.102 177.055 175.900 0.088 0.000 1.053 694 Y CA -1.080 57.062 58.100 0.070 0.000 1.105 694 Y CB 1.386 39.916 38.460 0.116 0.000 1.258 694 Y HN -0.227 nan 8.280 nan 0.000 0.478 695 R N 0.541 121.165 120.500 0.207 0.000 2.062 695 R HA 0.134 4.474 4.340 -0.000 0.000 0.226 695 R C -0.629 175.642 176.300 -0.049 0.000 1.125 695 R CA 0.873 56.932 56.100 -0.068 0.000 0.966 695 R CB 0.053 30.098 30.300 -0.426 0.000 0.861 695 R HN 0.502 nan 8.270 nan 0.000 0.433 696 F N -0.176 119.943 119.950 0.282 0.000 2.421 696 F HA 0.212 4.739 4.527 0.000 0.000 0.337 696 F C -0.193 175.606 175.800 -0.002 0.000 1.105 696 F CA -1.222 56.890 58.000 0.187 0.000 1.049 696 F CB 0.753 39.773 39.000 0.033 0.000 1.139 696 F HN 0.047 nan 8.300 nan 0.000 0.479 697 W N 6.047 127.203 121.300 -0.239 0.000 2.368 697 W HA 0.387 5.047 4.660 0.000 0.000 0.316 697 W C -1.004 175.216 176.519 -0.499 0.000 1.375 697 W CA -1.310 55.395 57.345 -1.067 0.000 1.261 697 W CB 0.435 29.446 29.460 -0.748 0.000 1.298 697 W HN 0.383 nan 8.180 nan 0.000 0.539 698 L N 7.679 128.407 121.223 -0.826 0.000 2.512 698 L HA 0.087 4.427 4.340 -0.000 0.000 0.247 698 L C 0.713 176.979 176.870 -1.006 0.000 1.204 698 L CA -0.574 53.843 54.840 -0.706 0.000 1.153 698 L CB -1.014 40.800 42.059 -0.408 0.000 1.415 698 L HN 0.458 nan 8.230 nan 0.000 0.406 699 N N 2.903 120.704 118.700 -1.499 0.000 2.340 699 N HA 0.101 4.841 4.740 -0.000 0.000 0.236 699 N C -0.478 174.558 175.510 -0.790 0.000 1.296 699 N CA 0.200 52.441 53.050 -1.349 0.000 0.896 699 N CB 0.603 38.165 38.487 -1.542 0.000 1.127 699 N HN 0.640 nan 8.380 nan 0.000 0.442 700 N N -1.073 117.257 118.700 -0.617 0.000 2.859 700 N HA 0.715 5.455 4.740 -0.000 0.000 0.250 700 N C -0.541 174.662 175.510 -0.510 0.000 1.341 700 N CA -0.469 52.087 53.050 -0.823 0.000 0.881 700 N CB 1.263 39.463 38.487 -0.479 0.000 1.516 700 N HN 0.672 nan 8.380 nan 0.000 0.503 701 G N -0.210 108.261 108.800 -0.547 0.000 2.404 701 G HA2 0.322 4.282 3.960 -0.000 0.000 0.253 701 G HA3 0.322 4.282 3.960 -0.000 0.000 0.253 701 G C -1.666 173.360 174.900 0.209 0.000 1.253 701 G CA -0.982 44.093 45.100 -0.041 0.000 0.917 701 G HN 0.580 nan 8.290 nan 0.000 0.480 702 R N 0.643 121.314 120.500 0.285 0.000 2.531 702 R HA 0.580 4.920 4.340 -0.000 0.000 0.273 702 R C 0.166 176.592 176.300 0.209 0.000 1.070 702 R CA -0.608 55.627 56.100 0.225 0.000 1.112 702 R CB 0.755 31.117 30.300 0.104 0.000 1.049 702 R HN 0.568 nan 8.270 nan 0.000 0.508 703 N N 1.047 119.800 118.700 0.088 0.000 2.314 703 N HA 0.043 4.783 4.740 -0.000 0.000 0.294 703 N C 0.169 175.679 175.510 0.000 0.000 1.029 703 N CA -0.332 52.736 53.050 0.029 0.000 0.845 703 N CB 1.367 39.790 38.487 -0.107 0.000 1.321 703 N HN 0.536 nan 8.380 nan 0.000 0.481 704 N N 2.764 121.464 118.700 0.000 0.000 2.137 704 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 704 N C 0.662 176.181 175.510 0.015 0.000 1.017 704 N CA 2.026 55.064 53.050 -0.021 0.000 0.859 704 N CB 0.264 38.724 38.487 -0.046 0.000 1.002 704 N HN 0.597 nan 8.380 nan 0.000 0.428 705 E N -1.003 119.226 120.200 0.048 0.000 2.250 705 E HA 0.121 4.471 4.350 -0.000 0.000 0.192 705 E C -0.229 176.424 176.600 0.089 0.000 0.986 705 E CA 0.131 56.591 56.400 0.099 0.000 0.849 705 E CB 0.370 30.214 29.700 0.241 0.000 0.797 705 E HN 0.060 nan 8.360 nan 0.000 0.482 706 V N 1.926 121.850 119.914 0.017 0.000 2.461 706 V HA 0.062 4.182 4.120 -0.000 0.000 0.275 706 V C -0.553 175.590 176.094 0.081 0.000 1.047 706 V CA -0.573 61.738 62.300 0.018 0.000 0.955 706 V CB 0.765 32.503 31.823 -0.141 0.000 0.988 706 V HN 0.294 nan 8.190 nan 0.000 0.471 707 W N 6.486 127.704 121.300 -0.136 0.000 2.308 707 W HA 0.290 4.950 4.660 -0.000 0.000 0.311 707 W C 0.410 176.858 176.519 -0.118 0.000 1.088 707 W CA -0.462 56.773 57.345 -0.183 0.000 1.309 707 W CB 0.976 30.171 29.460 -0.442 0.000 1.229 707 W HN 0.807 nan 8.180 nan 0.000 0.427 708 Q N 1.196 120.605 119.800 -0.652 0.000 1.932 708 Q HA -0.345 3.995 4.340 -0.000 0.000 0.407 708 Q C 1.476 177.249 176.000 -0.379 0.000 0.787 708 Q CA 2.945 58.423 55.803 -0.542 0.000 0.852 708 Q CB -1.805 26.457 28.738 -0.793 0.000 3.472 708 Q HN 0.736 nan 8.270 nan 0.000 0.793 709 T N -1.012 113.435 114.554 -0.178 0.000 3.252 709 T HA 0.467 4.817 4.350 -0.000 0.000 0.250 709 T C 0.848 175.482 174.700 -0.109 0.000 1.123 709 T CA 1.328 63.346 62.100 -0.137 0.000 1.006 709 T CB -0.207 68.655 68.868 -0.009 0.000 0.992 709 T HN 1.353 nan 8.240 nan 0.000 0.547 710 A N 0.945 123.682 122.820 -0.138 0.000 2.822 710 A HA -0.238 4.082 4.320 -0.000 0.000 0.287 710 A C 0.951 178.381 177.584 -0.257 0.000 1.479 710 A CA 1.119 53.044 52.037 -0.187 0.000 0.779 710 A CB -3.002 15.892 19.000 -0.176 0.000 1.022 710 A HN 1.055 nan 8.150 nan 0.000 0.532 711 Y N -2.997 117.207 120.300 -0.160 0.000 2.224 711 Y HA -0.140 4.410 4.550 -0.000 0.000 0.289 711 Y C 2.179 177.821 175.900 -0.430 0.000 1.146 711 Y CA 1.700 59.648 58.100 -0.254 0.000 1.182 711 Y CB -0.500 37.938 38.460 -0.037 0.000 0.983 711 Y HN 0.578 nan 8.280 nan 0.000 0.524 712 H N 0.011 118.820 119.070 -0.435 0.000 2.418 712 H HA -0.015 4.541 4.556 -0.000 0.000 0.300 712 H C 1.386 176.365 175.328 -0.583 0.000 1.041 712 H CA 1.121 56.819 56.048 -0.583 0.000 1.364 712 H CB -0.222 28.791 29.762 -1.249 0.000 1.439 712 H HN 0.391 nan 8.280 nan 0.000 0.540 713 D N 1.310 121.533 120.400 -0.294 0.000 2.182 713 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 713 D C 2.223 178.464 176.300 -0.098 0.000 0.986 713 D CA 1.029 54.997 54.000 -0.053 0.000 0.847 713 D CB -0.206 40.623 40.800 0.049 0.000 0.942 713 D HN 0.649 nan 8.370 nan 0.000 0.467 714 Q N -0.402 119.201 119.800 -0.328 0.000 2.364 714 Q HA -0.177 4.163 4.340 -0.000 0.000 0.209 714 Q C 1.115 176.843 176.000 -0.453 0.000 0.977 714 Q CA 1.213 56.735 55.803 -0.467 0.000 0.885 714 Q CB -0.445 27.855 28.738 -0.730 0.000 0.941 714 Q HN 0.446 nan 8.270 nan 0.000 0.464 715 Y N 0.368 120.601 120.300 -0.112 0.000 2.458 715 Y HA 0.211 4.761 4.550 -0.000 0.000 0.256 715 Y C 0.638 176.559 175.900 0.036 0.000 1.159 715 Y CA -0.730 57.340 58.100 -0.050 0.000 1.261 715 Y CB 0.517 38.933 38.460 -0.074 0.000 1.119 715 Y HN 0.165 nan 8.280 nan 0.000 0.524 716 N N 1.026 119.842 118.700 0.193 0.000 2.422 716 N HA -0.016 4.724 4.740 -0.000 0.000 0.264 716 N C 1.052 176.640 175.510 0.131 0.000 1.063 716 N CA 0.485 53.665 53.050 0.216 0.000 0.959 716 N CB 1.344 40.022 38.487 0.319 0.000 1.087 716 N HN 0.243 nan 8.380 nan 0.000 0.483 717 S N 4.492 120.254 115.700 0.104 0.000 2.382 717 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 717 S C 1.963 176.589 174.600 0.044 0.000 1.027 717 S CA 0.629 58.869 58.200 0.066 0.000 0.991 717 S CB -0.247 62.984 63.200 0.051 0.000 0.823 717 S HN 0.630 nan 8.310 nan 0.000 0.469 718 L N 0.088 121.337 121.223 0.043 0.000 2.109 718 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 718 L C 2.894 179.771 176.870 0.011 0.000 1.086 718 L CA 1.073 55.920 54.840 0.012 0.000 0.760 718 L CB -0.584 41.479 42.059 0.007 0.000 0.910 718 L HN 0.343 nan 8.230 nan 0.000 0.437 719 M N -0.714 118.928 119.600 0.070 0.000 2.175 719 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 719 M C 2.219 178.584 176.300 0.107 0.000 1.063 719 M CA 1.468 56.840 55.300 0.120 0.000 1.119 719 M CB -0.912 31.805 32.600 0.194 0.000 1.377 719 M HN 0.267 nan 8.290 nan 0.000 0.415 720 Q N -0.108 119.740 119.800 0.079 0.000 2.230 720 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 720 Q C 1.843 177.852 176.000 0.014 0.000 0.963 720 Q CA 1.037 56.881 55.803 0.067 0.000 0.866 720 Q CB -0.337 28.430 28.738 0.050 0.000 0.931 720 Q HN 0.655 nan 8.270 nan 0.000 0.452 721 E N 0.737 120.925 120.200 -0.020 0.000 2.072 721 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 721 E C 2.006 178.507 176.600 -0.165 0.000 0.985 721 E CA 0.911 57.275 56.400 -0.060 0.000 0.801 721 E CB 0.157 29.824 29.700 -0.054 0.000 0.750 721 E HN 0.046 nan 8.360 nan 0.000 0.452 722 R N -0.572 119.784 120.500 -0.240 0.000 2.075 722 R HA -0.053 4.287 4.340 -0.000 0.000 0.226 722 R C 0.068 175.922 176.300 -0.744 0.000 1.114 722 R CA 1.348 57.128 56.100 -0.535 0.000 0.972 722 R CB -0.012 29.900 30.300 -0.647 0.000 0.869 722 R HN 0.203 nan 8.270 nan 0.000 0.437 723 Y N 0.260 120.509 120.300 -0.085 0.000 2.658 723 Y HA 0.354 4.904 4.550 0.000 0.000 0.362 723 Y C -1.807 174.091 175.900 -0.004 0.000 1.017 723 Y CA -2.215 55.836 58.100 -0.081 0.000 1.134 723 Y CB 1.910 40.327 38.460 -0.072 0.000 1.144 723 Y HN 0.154 nan 8.280 nan 0.000 0.655 724 P HA -0.115 nan 4.420 nan 0.000 0.223 724 P C 0.183 177.541 177.300 0.098 0.000 1.151 724 P CA 1.220 64.310 63.100 -0.017 0.000 0.787 724 P CB 0.930 32.532 31.700 -0.163 0.000 0.788 725 M N -1.210 118.415 119.600 0.041 0.000 2.531 725 M HA 0.597 5.077 4.480 -0.000 0.000 0.286 725 M C -1.286 175.126 176.300 0.186 0.000 1.232 725 M CA -1.040 54.386 55.300 0.209 0.000 0.877 725 M CB 2.705 35.404 32.600 0.165 0.000 1.726 725 M HN -0.243 nan 8.290 nan 0.000 0.463 726 A N 2.334 125.277 122.820 0.205 0.000 2.531 726 A HA 0.351 4.671 4.320 -0.000 0.000 0.236 726 A C -1.155 176.441 177.584 0.020 0.000 1.062 726 A CA 0.265 52.248 52.037 -0.090 0.000 0.760 726 A CB -0.397 18.577 19.000 -0.043 0.000 0.995 726 A HN 0.791 nan 8.150 nan 0.000 0.501 727 Y N -0.124 120.150 120.300 -0.044 0.000 2.567 727 Y HA 0.780 5.330 4.550 -0.000 0.000 0.333 727 Y C -0.543 175.377 175.900 0.034 0.000 1.106 727 Y CA -1.881 56.280 58.100 0.101 0.000 1.157 727 Y CB 1.280 39.922 38.460 0.304 0.000 1.277 727 Y HN 0.571 nan 8.280 nan 0.000 0.490 728 I N 2.035 122.741 120.570 0.227 0.000 2.468 728 I HA 0.311 4.481 4.170 -0.000 0.000 0.285 728 I C -1.172 175.083 176.117 0.231 0.000 1.039 728 I CA -0.606 60.730 61.300 0.061 0.000 1.074 728 I CB 1.320 39.280 38.000 -0.066 0.000 1.228 728 I HN 0.812 nan 8.210 nan 0.000 0.436 729 E N 8.260 128.617 120.200 0.261 0.000 2.316 729 E HA 0.365 4.715 4.350 -0.000 0.000 0.275 729 E C -0.918 175.757 176.600 0.126 0.000 1.029 729 E CA -0.001 56.545 56.400 0.244 0.000 0.871 729 E CB 1.211 31.043 29.700 0.221 0.000 1.022 729 E HN 0.539 nan 8.360 nan 0.000 0.418 730 M N 2.380 122.050 119.600 0.118 0.000 2.501 730 M HA 0.214 4.694 4.480 -0.000 0.000 0.293 730 M C -0.227 176.134 176.300 0.101 0.000 1.192 730 M CA -0.896 54.441 55.300 0.063 0.000 0.886 730 M CB 2.168 34.763 32.600 -0.009 0.000 1.710 730 M HN 0.413 nan 8.290 nan 0.000 0.457 731 N N 2.660 121.433 118.700 0.123 0.000 2.492 731 N HA 0.105 4.845 4.740 -0.000 0.000 0.262 731 N C -2.198 173.377 175.510 0.109 0.000 1.202 731 N CA -0.863 52.263 53.050 0.127 0.000 0.926 731 N CB 1.400 39.983 38.487 0.159 0.000 1.078 731 N HN 0.266 nan 8.380 nan 0.000 0.454 732 P HA -0.083 nan 4.420 nan 0.000 0.216 732 P C 0.410 177.755 177.300 0.075 0.000 1.150 732 P CA 1.108 64.253 63.100 0.074 0.000 0.837 732 P CB 0.284 32.023 31.700 0.064 0.000 0.786 733 D N -0.859 119.591 120.400 0.084 0.000 2.144 733 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 733 D C 1.454 177.817 176.300 0.104 0.000 0.978 733 D CA 1.044 55.094 54.000 0.082 0.000 0.833 733 D CB -0.600 40.247 40.800 0.078 0.000 0.961 733 D HN 0.164 nan 8.370 nan 0.000 0.470 734 D N 0.188 120.674 120.400 0.143 0.000 2.117 734 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 734 D C 2.243 178.635 176.300 0.153 0.000 0.982 734 D CA 0.491 54.615 54.000 0.206 0.000 0.828 734 D CB -0.448 40.558 40.800 0.342 0.000 0.967 734 D HN 0.184 nan 8.370 nan 0.000 0.464 735 C N 1.042 120.401 119.300 0.099 0.000 2.432 735 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 735 C C 2.527 177.549 174.990 0.054 0.000 1.249 735 C CA 0.482 59.533 59.018 0.055 0.000 1.725 735 C CB -0.552 27.208 27.740 0.033 0.000 2.028 735 C HN 0.381 nan 8.230 nan 0.000 0.477 736 K N 0.118 120.551 120.400 0.056 0.000 2.063 736 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 736 K C 2.308 178.941 176.600 0.055 0.000 1.048 736 K CA 1.145 57.460 56.287 0.046 0.000 0.928 736 K CB -0.364 32.161 32.500 0.043 0.000 0.713 736 K HN 0.492 nan 8.250 nan 0.000 0.442 737 Q N 1.134 120.979 119.800 0.074 0.000 2.124 737 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 737 Q C 1.750 177.801 176.000 0.085 0.000 0.977 737 Q CA 1.352 57.203 55.803 0.080 0.000 0.850 737 Q CB 0.058 28.854 28.738 0.097 0.000 0.901 737 Q HN 0.363 nan 8.270 nan 0.000 0.429 738 L N 0.669 121.950 121.223 0.097 0.000 2.591 738 L HA 0.006 4.346 4.340 -0.000 0.000 0.228 738 L C 0.096 177.002 176.870 0.060 0.000 1.133 738 L CA 0.203 55.099 54.840 0.093 0.000 0.880 738 L CB 0.092 42.216 42.059 0.108 0.000 1.033 738 L HN 0.198 nan 8.230 nan 0.000 0.450 739 D N 0.717 121.146 120.400 0.047 0.000 2.708 739 D HA -0.158 4.482 4.640 -0.000 0.000 0.236 739 D C -0.408 175.901 176.300 0.015 0.000 1.146 739 D CA 0.833 54.851 54.000 0.029 0.000 0.662 739 D CB -0.667 40.151 40.800 0.029 0.000 1.059 739 D HN 0.148 nan 8.370 nan 0.000 0.428 740 V N -3.026 116.893 119.914 0.009 0.000 2.769 740 V HA 0.950 5.070 4.120 -0.000 0.000 0.312 740 V C 0.308 176.378 176.094 -0.040 0.000 1.061 740 V CA 0.037 62.328 62.300 -0.015 0.000 0.931 740 V CB 2.205 34.020 31.823 -0.014 0.000 1.010 740 V HN 0.175 nan 8.190 nan 0.000 0.433 741 T N 1.739 116.243 114.554 -0.084 0.000 2.804 741 T HA 0.696 5.046 4.350 -0.000 0.000 0.290 741 T C 0.362 174.890 174.700 -0.288 0.000 1.099 741 T CA 0.086 62.106 62.100 -0.133 0.000 1.011 741 T CB 1.508 70.315 68.868 -0.103 0.000 1.291 741 T HN 1.668 nan 8.240 nan 0.000 0.523 742 G N -0.477 108.048 108.800 -0.458 0.000 2.225 742 G HA2 0.393 4.353 3.960 -0.000 0.000 0.245 742 G HA3 0.393 4.353 3.960 -0.000 0.000 0.245 742 G C 1.209 175.363 174.900 -1.242 0.000 1.249 742 G CA 0.565 44.952 45.100 -1.188 0.000 0.919 742 G HN 1.722 nan 8.290 nan 0.000 0.486 743 G N 2.209 110.252 108.800 -1.262 0.000 2.213 743 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 743 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 743 G C 0.215 175.110 174.900 -0.009 0.000 0.991 743 G CA 0.273 45.216 45.100 -0.262 0.000 0.629 743 G HN 0.765 nan 8.290 nan 0.000 0.517 744 D N 0.411 120.748 120.400 -0.104 0.000 2.339 744 D HA 0.556 5.196 4.640 -0.000 0.000 0.245 744 D C 0.794 177.134 176.300 0.066 0.000 1.115 744 D CA 0.099 54.088 54.000 -0.018 0.000 0.917 744 D CB 1.158 41.935 40.800 -0.038 0.000 1.192 744 D HN 0.320 nan 8.370 nan 0.000 0.428 745 I N 1.123 121.746 120.570 0.088 0.000 2.460 745 I HA 0.288 4.458 4.170 -0.000 0.000 0.298 745 I C 0.027 176.237 176.117 0.154 0.000 0.989 745 I CA -0.882 60.514 61.300 0.159 0.000 1.173 745 I CB 1.659 39.748 38.000 0.149 0.000 1.338 745 I HN 0.077 nan 8.210 nan 0.000 0.456 746 V N 1.983 122.004 119.914 0.178 0.000 2.914 746 V HA 0.563 4.683 4.120 -0.000 0.000 0.314 746 V C -0.573 175.602 176.094 0.136 0.000 1.084 746 V CA -0.822 61.561 62.300 0.139 0.000 0.963 746 V CB 1.838 33.680 31.823 0.032 0.000 1.025 746 V HN 0.817 nan 8.190 nan 0.000 0.432 747 E N 1.532 121.756 120.200 0.040 0.000 2.249 747 E HA 0.624 4.974 4.350 -0.000 0.000 0.280 747 E C -1.490 175.035 176.600 -0.126 0.000 1.016 747 E CA -0.625 55.574 56.400 -0.335 0.000 0.830 747 E CB 1.962 31.518 29.700 -0.240 0.000 1.081 747 E HN 0.698 nan 8.360 nan 0.000 0.395 748 V N 5.903 125.680 119.914 -0.228 0.000 2.448 748 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 748 V C -1.012 175.025 176.094 -0.093 0.000 1.025 748 V CA -0.576 61.627 62.300 -0.163 0.000 0.859 748 V CB 0.600 32.302 31.823 -0.202 0.000 0.988 748 V HN 0.651 nan 8.190 nan 0.000 0.431 749 Y N 3.371 123.539 120.300 -0.220 0.000 2.609 749 Y HA 0.879 5.429 4.550 -0.000 0.000 0.336 749 Y C -0.701 174.971 175.900 -0.380 0.000 1.129 749 Y CA -1.155 56.804 58.100 -0.236 0.000 1.040 749 Y CB 1.613 39.959 38.460 -0.189 0.000 1.310 749 Y HN 0.651 nan 8.280 nan 0.000 0.460 750 N N -1.154 117.412 118.700 -0.223 0.000 3.588 750 N HA 0.239 4.979 4.740 -0.000 0.000 0.340 750 N C -0.567 174.914 175.510 -0.049 0.000 1.609 750 N CA -0.369 52.319 53.050 -0.603 0.000 0.811 750 N CB 0.074 38.236 38.487 -0.542 0.000 2.184 750 N HN 0.545 nan 8.380 nan 0.000 0.577 751 D N -0.735 119.736 120.400 0.118 0.000 2.219 751 D HA 0.068 4.708 4.640 -0.000 0.000 0.205 751 D C 0.996 177.182 176.300 -0.190 0.000 0.970 751 D CA 1.008 55.023 54.000 0.025 0.000 0.851 751 D CB -0.258 40.515 40.800 -0.045 0.000 0.943 751 D HN 0.382 nan 8.370 nan 0.000 0.488 752 F N 0.327 120.308 119.950 0.053 0.000 2.512 752 F HA 0.247 4.774 4.527 -0.000 0.000 0.296 752 F C 1.677 177.484 175.800 0.013 0.000 1.110 752 F CA 0.636 58.658 58.000 0.037 0.000 1.446 752 F CB 0.421 39.444 39.000 0.039 0.000 1.092 752 F HN -0.067 nan 8.300 nan 0.000 0.554 753 G N -1.287 107.585 108.800 0.120 0.000 2.320 753 G HA2 0.391 4.351 3.960 -0.000 0.000 0.296 753 G HA3 0.391 4.351 3.960 -0.000 0.000 0.296 753 G C -1.756 173.162 174.900 0.030 0.000 1.306 753 G CA -0.442 44.695 45.100 0.062 0.000 0.836 753 G HN -0.008 nan 8.290 nan 0.000 0.517 754 S N -1.334 114.360 115.700 -0.009 0.000 2.541 754 S HA 0.860 5.330 4.470 -0.000 0.000 0.280 754 S C -0.565 173.950 174.600 -0.141 0.000 1.112 754 S CA 0.508 58.664 58.200 -0.074 0.000 0.925 754 S CB 2.096 65.243 63.200 -0.088 0.000 1.067 754 S HN 1.504 nan 8.310 nan 0.000 0.479 755 T N 2.404 116.774 114.554 -0.307 0.000 2.671 755 T HA 0.797 5.147 4.350 -0.000 0.000 0.300 755 T C -2.036 172.280 174.700 -0.639 0.000 1.238 755 T CA -0.377 61.566 62.100 -0.262 0.000 1.020 755 T CB 0.592 69.411 68.868 -0.082 0.000 1.503 755 T HN 0.501 nan 8.240 nan 0.000 0.497 756 F N 0.300 120.260 119.950 0.017 0.000 2.613 756 F HA 0.901 5.428 4.527 0.000 0.000 0.314 756 F C 0.198 176.020 175.800 0.035 0.000 1.075 756 F CA -0.566 57.454 58.000 0.034 0.000 0.945 756 F CB 2.312 41.342 39.000 0.051 0.000 1.310 756 F HN 0.855 nan 8.300 nan 0.000 0.467 757 A N 1.741 124.700 122.820 0.232 0.000 2.608 757 A HA 0.760 5.080 4.320 -0.000 0.000 0.292 757 A C -1.281 176.435 177.584 0.220 0.000 1.066 757 A CA -0.973 51.167 52.037 0.172 0.000 0.676 757 A CB 1.625 20.648 19.000 0.038 0.000 1.277 757 A HN 0.827 nan 8.150 nan 0.000 0.413 758 M N 1.202 120.958 119.600 0.261 0.000 2.188 758 M HA 0.684 5.164 4.480 -0.000 0.000 0.357 758 M C -0.732 175.708 176.300 0.233 0.000 1.204 758 M CA -0.556 54.919 55.300 0.292 0.000 1.095 758 M CB 0.925 33.746 32.600 0.369 0.000 1.604 758 M HN 0.273 nan 8.290 nan 0.000 0.464 759 V N 3.958 123.935 119.914 0.104 0.000 2.740 759 V HA 0.023 4.143 4.120 -0.000 0.000 0.303 759 V C -0.839 175.274 176.094 0.032 0.000 1.054 759 V CA 0.290 62.621 62.300 0.051 0.000 1.106 759 V CB 0.138 31.936 31.823 -0.042 0.000 0.957 759 V HN 0.849 nan 8.190 nan 0.000 0.486 760 Y N 5.812 126.154 120.300 0.070 0.000 2.535 760 Y HA 0.383 4.933 4.550 0.000 0.000 0.341 760 Y C -2.493 173.462 175.900 0.091 0.000 1.041 760 Y CA -2.485 55.704 58.100 0.147 0.000 1.307 760 Y CB 2.091 40.723 38.460 0.286 0.000 1.095 760 Y HN 0.542 nan 8.280 nan 0.000 0.534 761 P HA 0.059 nan 4.420 nan 0.000 0.267 761 P C -1.205 176.247 177.300 0.252 0.000 1.205 761 P CA 0.333 63.534 63.100 0.169 0.000 0.765 761 P CB 1.024 32.765 31.700 0.069 0.000 0.828 762 V N 3.430 123.450 119.914 0.177 0.000 2.524 762 V HA 0.301 4.421 4.120 -0.000 0.000 0.297 762 V C 1.079 177.230 176.094 0.094 0.000 1.035 762 V CA -0.357 62.025 62.300 0.137 0.000 0.867 762 V CB 1.338 33.216 31.823 0.091 0.000 1.004 762 V HN 0.589 nan 8.190 nan 0.000 0.426 763 A N 3.259 126.126 122.820 0.078 0.000 1.948 763 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 763 A C 1.757 179.377 177.584 0.062 0.000 1.177 763 A CA 2.117 54.193 52.037 0.064 0.000 0.636 763 A CB -0.167 18.863 19.000 0.049 0.000 0.815 763 A HN 0.860 nan 8.150 nan 0.000 0.449 764 E N -0.304 119.926 120.200 0.050 0.000 2.347 764 E HA 0.027 4.377 4.350 -0.000 0.000 0.196 764 E C 0.355 177.000 176.600 0.075 0.000 1.008 764 E CA 0.128 56.558 56.400 0.050 0.000 0.852 764 E CB -0.096 29.613 29.700 0.015 0.000 0.783 764 E HN 0.496 nan 8.360 nan 0.000 0.505 765 I N 2.076 122.697 120.570 0.085 0.000 2.588 765 I HA 0.004 4.174 4.170 -0.000 0.000 0.283 765 I C 0.657 176.857 176.117 0.138 0.000 1.119 765 I CA -0.018 61.353 61.300 0.119 0.000 1.419 765 I CB 0.501 38.574 38.000 0.122 0.000 1.394 765 I HN -0.038 nan 8.210 nan 0.000 0.562 766 K N 5.919 126.420 120.400 0.167 0.000 2.202 766 K HA 0.262 4.582 4.320 -0.000 0.000 0.264 766 K C 0.185 176.895 176.600 0.184 0.000 1.010 766 K CA -0.660 55.722 56.287 0.160 0.000 0.940 766 K CB 0.706 33.304 32.500 0.163 0.000 0.983 766 K HN 0.408 nan 8.250 nan 0.000 0.475 767 R N 0.497 121.090 120.500 0.154 0.000 2.585 767 R HA -0.036 4.304 4.340 -0.000 0.000 0.275 767 R C 0.953 177.369 176.300 0.194 0.000 1.018 767 R CA 1.035 57.236 56.100 0.168 0.000 1.072 767 R CB 0.008 30.377 30.300 0.115 0.000 0.953 767 R HN 1.036 nan 8.270 nan 0.000 0.419 768 G N 1.597 110.541 108.800 0.240 0.000 2.184 768 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.264 768 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.264 768 G C 0.016 175.162 174.900 0.409 0.000 0.975 768 G CA 0.258 45.476 45.100 0.198 0.000 0.642 768 G HN 0.592 nan 8.290 nan 0.000 0.536 769 Q N -0.222 119.836 119.800 0.429 0.000 2.399 769 Q HA 0.726 5.066 4.340 -0.000 0.000 0.276 769 Q C 0.086 176.253 176.000 0.279 0.000 1.098 769 Q CA -0.145 55.918 55.803 0.433 0.000 0.827 769 Q CB 2.340 31.376 28.738 0.496 0.000 1.386 769 Q HN 0.574 nan 8.270 nan 0.000 0.443 770 T N -2.215 112.390 114.554 0.084 0.000 2.787 770 T HA 0.736 5.086 4.350 -0.000 0.000 0.297 770 T C -1.526 173.102 174.700 -0.120 0.000 1.221 770 T CA -0.730 61.348 62.100 -0.037 0.000 1.006 770 T CB 1.315 70.081 68.868 -0.171 0.000 1.328 770 T HN 0.511 nan 8.240 nan 0.000 0.509 771 F N 1.225 121.033 119.950 -0.236 0.000 2.653 771 F HA 0.690 5.217 4.527 -0.000 0.000 0.327 771 F C -1.084 174.550 175.800 -0.276 0.000 1.195 771 F CA -0.948 56.877 58.000 -0.292 0.000 0.993 771 F CB 1.894 40.777 39.000 -0.195 0.000 1.259 771 F HN 0.914 nan 8.300 nan 0.000 0.478 772 M N 7.268 126.323 119.600 -0.908 0.000 2.436 772 M HA 0.499 4.979 4.480 -0.000 0.000 0.331 772 M C -1.494 174.198 176.300 -1.013 0.000 1.135 772 M CA -1.251 53.594 55.300 -0.759 0.000 0.987 772 M CB 1.506 33.817 32.600 -0.482 0.000 1.687 772 M HN 0.753 nan 8.290 nan 0.000 0.445 773 L N 5.570 126.230 121.223 -0.937 0.000 2.499 773 L HA 0.250 4.590 4.340 -0.000 0.000 0.273 773 L C -0.931 175.678 176.870 -0.436 0.000 1.195 773 L CA 0.472 54.870 54.840 -0.737 0.000 0.882 773 L CB 0.083 41.608 42.059 -0.891 0.000 1.133 773 L HN 0.612 nan 8.230 nan 0.000 0.483 774 F N 4.235 123.929 119.950 -0.426 0.000 2.380 774 F HA 0.652 5.179 4.527 0.000 0.000 0.321 774 F C 1.216 176.922 175.800 -0.156 0.000 1.103 774 F CA -1.166 56.664 58.000 -0.284 0.000 1.067 774 F CB 0.372 39.214 39.000 -0.262 0.000 1.265 774 F HN 0.800 nan 8.300 nan 0.000 0.517 775 G N 1.175 109.573 108.800 -0.669 0.000 2.296 775 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.282 775 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.282 775 G C -0.214 174.436 174.900 -0.416 0.000 1.014 775 G CA 0.671 45.365 45.100 -0.676 0.000 0.812 775 G HN 1.022 nan 8.290 nan 0.000 0.508 776 Y N -0.903 119.146 120.300 -0.419 0.000 2.295 776 Y HA 0.326 4.876 4.550 -0.000 0.000 0.331 776 Y C 1.857 177.645 175.900 -0.187 0.000 1.311 776 Y CA -0.238 57.681 58.100 -0.300 0.000 1.430 776 Y CB 1.127 39.433 38.460 -0.255 0.000 1.339 776 Y HN 0.322 nan 8.280 nan 0.000 0.552 777 V N -0.114 119.331 119.914 -0.783 0.000 3.461 777 V HA 0.077 4.197 4.120 -0.000 0.000 0.267 777 V C -0.123 175.771 176.094 -0.333 0.000 1.186 777 V CA 0.964 62.948 62.300 -0.526 0.000 1.154 777 V CB -0.591 30.865 31.823 -0.612 0.000 0.802 777 V HN 0.699 nan 8.190 nan 0.000 0.474 778 N N 1.306 119.870 118.700 -0.228 0.000 2.640 778 N HA 0.502 5.242 4.740 -0.000 0.000 0.262 778 N C -0.172 175.431 175.510 0.155 0.000 1.174 778 N CA 0.477 53.531 53.050 0.005 0.000 0.791 778 N CB 0.817 39.334 38.487 0.051 0.000 1.279 778 N HN 0.722 nan 8.380 nan 0.000 0.535 779 G N 3.008 111.877 108.800 0.114 0.000 2.721 779 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.462 779 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.462 779 G C -0.568 174.371 174.900 0.066 0.000 1.062 779 G CA -0.641 44.544 45.100 0.142 0.000 1.233 779 G HN 0.510 nan 8.290 nan 0.000 0.545 780 I N 2.398 122.987 120.570 0.032 0.000 2.396 780 I HA 0.132 4.302 4.170 -0.000 0.000 0.289 780 I C 1.693 177.787 176.117 -0.037 0.000 1.056 780 I CA -0.555 60.735 61.300 -0.017 0.000 1.365 780 I CB 1.619 39.607 38.000 -0.020 0.000 1.407 780 I HN 0.516 nan 8.210 nan 0.000 0.509 781 Q N 5.154 124.913 119.800 -0.069 0.000 2.119 781 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 781 Q C 1.982 177.951 176.000 -0.052 0.000 0.972 781 Q CA 1.800 57.548 55.803 -0.092 0.000 0.847 781 Q CB -0.007 28.651 28.738 -0.134 0.000 0.903 781 Q HN 0.962 nan 8.270 nan 0.000 0.433 782 G N 0.786 109.585 108.800 -0.002 0.000 2.499 782 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.221 782 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.221 782 G C 0.827 175.745 174.900 0.030 0.000 1.109 782 G CA 1.016 46.141 45.100 0.042 0.000 0.749 782 G HN 0.388 nan 8.290 nan 0.000 0.568 783 D N -0.059 120.346 120.400 0.008 0.000 2.221 783 D HA -0.112 4.528 4.640 -0.000 0.000 0.204 783 D C 2.626 178.953 176.300 0.045 0.000 0.982 783 D CA 1.373 55.385 54.000 0.020 0.000 0.857 783 D CB -0.104 40.694 40.800 -0.002 0.000 0.934 783 D HN 0.438 nan 8.370 nan 0.000 0.475 784 V N -2.076 117.841 119.914 0.006 0.000 3.621 784 V HA 0.198 4.318 4.120 -0.000 0.000 0.285 784 V C 0.725 176.809 176.094 -0.017 0.000 1.346 784 V CA 0.055 62.364 62.300 0.015 0.000 1.104 784 V CB -0.748 31.037 31.823 -0.064 0.000 0.913 784 V HN 0.047 nan 8.190 nan 0.000 0.432 785 T N 0.281 114.808 114.554 -0.044 0.000 2.904 785 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 785 T C 0.495 175.005 174.700 -0.316 0.000 1.018 785 T CA 0.493 62.519 62.100 -0.125 0.000 1.075 785 T CB 1.296 70.142 68.868 -0.035 0.000 0.986 785 T HN 0.712 nan 8.240 nan 0.000 0.523 786 T N -0.929 113.309 114.554 -0.528 0.000 2.810 786 T HA 0.252 4.602 4.350 -0.000 0.000 0.277 786 T C 0.936 175.363 174.700 -0.456 0.000 0.973 786 T CA -0.287 61.139 62.100 -1.122 0.000 0.949 786 T CB 0.733 69.021 68.868 -0.968 0.000 1.075 786 T HN 0.757 nan 8.240 nan 0.000 0.537 787 D N -1.619 118.617 120.400 -0.274 0.000 2.340 787 D HA -0.061 4.579 4.640 -0.000 0.000 0.220 787 D C 0.209 176.620 176.300 0.185 0.000 1.039 787 D CA -0.496 53.568 54.000 0.107 0.000 0.866 787 D CB -0.340 40.604 40.800 0.240 0.000 0.913 787 D HN 0.644 nan 8.370 nan 0.000 0.523 788 W N 3.229 124.516 121.300 -0.021 0.000 2.322 788 W HA 0.194 4.854 4.660 -0.000 0.000 0.328 788 W C 0.257 176.790 176.519 0.024 0.000 1.395 788 W CA 0.629 58.005 57.345 0.052 0.000 1.267 788 W CB 0.638 30.145 29.460 0.079 0.000 1.259 788 W HN -0.079 nan 8.180 nan 0.000 0.560 789 T N 2.607 116.634 114.554 -0.879 0.000 2.901 789 T HA 0.368 4.718 4.350 -0.000 0.000 0.293 789 T C -0.206 173.559 174.700 -1.558 0.000 1.084 789 T CA -1.048 60.522 62.100 -0.884 0.000 1.008 789 T CB 1.765 70.262 68.868 -0.619 0.000 1.170 789 T HN 0.492 nan 8.240 nan 0.000 0.509 790 D N 0.384 120.282 120.400 -0.838 0.000 2.425 790 D HA 0.135 4.775 4.640 -0.000 0.000 0.274 790 D C 1.613 177.711 176.300 -0.336 0.000 1.242 790 D CA -0.784 52.914 54.000 -0.503 0.000 1.060 790 D CB 0.465 41.272 40.800 0.012 0.000 1.112 790 D HN 0.813 nan 8.370 nan 0.000 0.561 791 R N -0.888 119.507 120.500 -0.175 0.000 2.193 791 R HA -0.100 4.240 4.340 -0.000 0.000 0.229 791 R C -0.018 176.162 176.300 -0.201 0.000 1.110 791 R CA 1.298 57.282 56.100 -0.193 0.000 0.988 791 R CB -0.358 29.807 30.300 -0.225 0.000 0.871 791 R HN 0.297 nan 8.270 nan 0.000 0.458 792 D N 0.970 121.272 120.400 -0.162 0.000 2.402 792 D HA 0.226 4.866 4.640 -0.000 0.000 0.216 792 D C 0.225 176.461 176.300 -0.106 0.000 1.128 792 D CA -0.030 53.888 54.000 -0.136 0.000 0.833 792 D CB 0.356 41.106 40.800 -0.083 0.000 0.971 792 D HN 0.280 nan 8.370 nan 0.000 0.503 793 I N 0.873 121.324 120.570 -0.199 0.000 6.063 793 I HA -0.249 3.921 4.170 -0.000 0.000 0.126 793 I C -0.642 175.332 176.117 -0.237 0.000 1.820 793 I CA 0.212 61.321 61.300 -0.318 0.000 2.040 793 I CB -1.180 36.618 38.000 -0.335 0.000 3.431 793 I HN 0.067 nan 8.210 nan 0.000 0.170 794 I N 3.161 123.662 120.570 -0.114 0.000 2.312 794 I HA 0.368 4.538 4.170 -0.000 0.000 0.290 794 I C -1.854 174.263 176.117 -0.000 0.000 1.008 794 I CA -2.078 59.262 61.300 0.068 0.000 1.226 794 I CB 0.846 39.003 38.000 0.261 0.000 1.371 794 I HN -0.142 nan 8.210 nan 0.000 0.468 795 P HA 0.038 nan 4.420 nan 0.000 0.271 795 P C -0.493 176.879 177.300 0.119 0.000 1.218 795 P CA -0.037 62.906 63.100 -0.261 0.000 0.780 795 P CB 0.312 31.429 31.700 -0.972 0.000 0.901 796 Y N 2.689 123.106 120.300 0.195 0.000 2.735 796 Y HA 0.088 4.638 4.550 0.000 0.000 0.354 796 Y C 0.437 176.460 175.900 0.205 0.000 1.288 796 Y CA -0.524 57.780 58.100 0.340 0.000 1.836 796 Y CB -0.465 38.252 38.460 0.428 0.000 1.920 796 Y HN 0.393 nan 8.280 nan 0.000 0.438 797 Y N 0.827 121.270 120.300 0.239 0.000 2.256 797 Y HA -0.232 4.318 4.550 0.000 0.000 0.288 797 Y C 1.759 177.669 175.900 0.016 0.000 1.155 797 Y CA 0.890 58.985 58.100 -0.010 0.000 1.203 797 Y CB 0.131 38.459 38.460 -0.220 0.000 0.980 797 Y HN 0.275 nan 8.280 nan 0.000 0.530 798 K N 0.077 120.713 120.400 0.393 0.000 2.487 798 K HA 0.149 4.469 4.320 -0.000 0.000 0.192 798 K C 0.581 177.242 176.600 0.102 0.000 1.027 798 K CA 0.404 56.877 56.287 0.309 0.000 1.054 798 K CB -0.112 32.737 32.500 0.581 0.000 0.824 798 K HN 0.188 nan 8.250 nan 0.000 0.510 799 G N 0.813 109.269 108.800 -0.574 0.000 2.955 799 G HA2 0.357 4.317 3.960 -0.000 0.000 0.336 799 G HA3 0.357 4.317 3.960 -0.000 0.000 0.336 799 G C -0.897 173.793 174.900 -0.349 0.000 1.264 799 G CA -0.129 44.365 45.100 -1.010 0.000 1.096 799 G HN 0.005 nan 8.290 nan 0.000 0.486 800 T N 0.901 115.409 114.554 -0.077 0.000 2.886 800 T HA 0.586 4.936 4.350 -0.000 0.000 0.330 800 T C -1.956 172.790 174.700 0.076 0.000 1.488 800 T CA -0.593 61.557 62.100 0.084 0.000 1.054 800 T CB 1.256 70.078 68.868 -0.076 0.000 1.348 800 T HN 0.405 nan 8.240 nan 0.000 0.489 801 W N 1.558 122.924 121.300 0.109 0.000 2.950 801 W HA 0.658 5.318 4.660 0.000 0.000 0.340 801 W C 0.172 176.713 176.519 0.038 0.000 1.139 801 W CA -0.780 56.658 57.345 0.155 0.000 1.188 801 W CB 2.244 31.834 29.460 0.217 0.000 1.426 801 W HN 1.136 nan 8.180 nan 0.000 0.531 802 G N 1.182 110.082 108.800 0.166 0.000 2.550 802 G HA2 0.364 4.324 3.960 -0.000 0.000 0.293 802 G HA3 0.364 4.324 3.960 -0.000 0.000 0.293 802 G C -1.922 172.934 174.900 -0.073 0.000 1.402 802 G CA -0.554 44.411 45.100 -0.224 0.000 0.784 802 G HN 0.194 nan 8.290 nan 0.000 0.482 803 D N -0.683 119.436 120.400 -0.468 0.000 2.326 803 D HA 0.702 5.342 4.640 -0.000 0.000 0.251 803 D C -0.205 175.871 176.300 -0.374 0.000 1.023 803 D CA -0.105 53.734 54.000 -0.267 0.000 0.966 803 D CB 2.028 42.617 40.800 -0.351 0.000 1.156 803 D HN 0.280 nan 8.370 nan 0.000 0.494 804 I N 0.810 121.364 120.570 -0.026 0.000 2.498 804 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 804 I C -0.217 175.985 176.117 0.141 0.000 1.032 804 I CA -0.751 60.533 61.300 -0.027 0.000 1.073 804 I CB 2.233 40.088 38.000 -0.242 0.000 1.251 804 I HN -0.005 nan 8.210 nan 0.000 0.426 805 R N 5.802 126.413 120.500 0.185 0.000 2.575 805 R HA 0.371 4.711 4.340 -0.000 0.000 0.293 805 R C -0.903 175.474 176.300 0.129 0.000 0.983 805 R CA -0.828 55.390 56.100 0.196 0.000 0.887 805 R CB 1.936 32.391 30.300 0.258 0.000 1.184 805 R HN 0.568 nan 8.270 nan 0.000 0.445 806 K N 3.337 123.799 120.400 0.103 0.000 2.416 806 K HA 0.070 4.390 4.320 -0.000 0.000 0.283 806 K C 0.283 176.939 176.600 0.093 0.000 1.037 806 K CA -0.193 56.144 56.287 0.082 0.000 0.995 806 K CB 1.116 33.652 32.500 0.060 0.000 0.938 806 K HN 0.470 nan 8.250 nan 0.000 0.475 807 V N 3.162 123.142 119.914 0.109 0.000 2.374 807 V HA 0.215 4.335 4.120 -0.000 0.000 0.241 807 V C 1.004 177.125 176.094 0.045 0.000 1.034 807 V CA 1.265 63.626 62.300 0.101 0.000 1.037 807 V CB 0.088 31.995 31.823 0.139 0.000 0.682 807 V HN 1.073 nan 8.190 nan 0.000 0.463 808 G N -0.949 107.870 108.800 0.031 0.000 2.320 808 G HA2 0.289 4.249 3.960 -0.000 0.000 0.297 808 G HA3 0.289 4.249 3.960 -0.000 0.000 0.297 808 G C -1.096 173.794 174.900 -0.018 0.000 1.344 808 G CA 0.143 45.243 45.100 0.000 0.000 0.851 808 G HN 0.133 nan 8.290 nan 0.000 0.567 809 S N -0.513 115.166 115.700 -0.034 0.000 2.439 809 S HA 0.475 4.945 4.470 -0.000 0.000 0.282 809 S C 0.394 174.939 174.600 -0.091 0.000 1.170 809 S CA -0.290 57.882 58.200 -0.048 0.000 1.054 809 S CB 0.385 63.562 63.200 -0.039 0.000 0.956 809 S HN 0.779 nan 8.310 nan 0.000 0.490 810 M N 5.908 125.428 119.600 -0.134 0.000 2.319 810 M HA 0.343 4.823 4.480 -0.000 0.000 0.343 810 M C 1.011 177.197 176.300 -0.190 0.000 1.364 810 M CA 0.303 55.419 55.300 -0.307 0.000 1.292 810 M CB -0.230 31.928 32.600 -0.737 0.000 1.432 810 M HN 0.659 nan 8.290 nan 0.000 0.448 811 S N 2.057 117.681 115.700 -0.127 0.000 2.400 811 S HA -0.169 4.301 4.470 -0.000 0.000 0.232 811 S C 1.550 176.145 174.600 -0.010 0.000 1.025 811 S CA 1.623 59.794 58.200 -0.049 0.000 0.993 811 S CB -0.196 62.978 63.200 -0.043 0.000 0.808 811 S HN 0.825 nan 8.310 nan 0.000 0.478 812 E N 0.613 120.782 120.200 -0.051 0.000 2.152 812 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 812 E C 1.415 178.148 176.600 0.222 0.000 0.983 812 E CA 0.822 57.250 56.400 0.045 0.000 0.818 812 E CB -0.226 29.485 29.700 0.019 0.000 0.758 812 E HN 0.403 nan 8.360 nan 0.000 0.467 813 F N 1.115 121.110 119.950 0.075 0.000 2.146 813 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 813 F C 1.934 177.846 175.800 0.187 0.000 1.096 813 F CA 1.005 59.087 58.000 0.136 0.000 1.275 813 F CB -0.722 38.407 39.000 0.214 0.000 1.008 813 F HN 0.058 nan 8.300 nan 0.000 0.480 814 K N -0.097 120.505 120.400 0.337 0.000 2.097 814 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 814 K C 2.224 178.921 176.600 0.161 0.000 1.049 814 K CA 1.164 57.597 56.287 0.243 0.000 0.933 814 K CB -0.200 32.367 32.500 0.112 0.000 0.717 814 K HN 0.122 nan 8.250 nan 0.000 0.442 815 R N 0.639 121.211 120.500 0.119 0.000 2.148 815 R HA -0.084 4.256 4.340 -0.000 0.000 0.223 815 R C 1.720 178.050 176.300 0.049 0.000 1.088 815 R CA 1.809 57.950 56.100 0.069 0.000 0.985 815 R CB 0.182 30.513 30.300 0.051 0.000 0.880 815 R HN 0.321 nan 8.270 nan 0.000 0.451 816 T N -4.191 110.400 114.554 0.062 0.000 2.958 816 T HA 0.252 4.602 4.350 -0.000 0.000 0.256 816 T C 0.238 174.883 174.700 -0.091 0.000 0.983 816 T CA -0.398 61.703 62.100 0.003 0.000 0.924 816 T CB 0.625 69.511 68.868 0.031 0.000 1.136 816 T HN -0.140 nan 8.240 nan 0.000 0.506 817 V N 2.536 122.367 119.914 -0.138 0.000 2.427 817 V HA 0.605 4.725 4.120 -0.000 0.000 0.286 817 V C 0.320 176.018 176.094 -0.660 0.000 1.034 817 V CA -0.884 61.151 62.300 -0.443 0.000 0.893 817 V CB 1.469 32.928 31.823 -0.606 0.000 0.982 817 V HN 0.456 nan 8.190 nan 0.000 0.452 818 S N 3.462 118.789 115.700 -0.622 0.000 2.528 818 S HA 0.418 4.888 4.470 -0.000 0.000 0.277 818 S C -0.077 173.984 174.600 -0.898 0.000 1.297 818 S CA -0.225 57.663 58.200 -0.519 0.000 1.052 818 S CB 0.007 63.028 63.200 -0.299 0.000 0.917 818 S HN 0.485 nan 8.310 nan 0.000 0.492 819 F N 3.072 122.820 119.950 -0.337 0.000 2.735 819 F HA 0.398 4.925 4.527 -0.000 0.000 0.304 819 F C 0.984 176.643 175.800 -0.236 0.000 1.119 819 F CA -0.553 57.036 58.000 -0.685 0.000 1.280 819 F CB 0.216 38.844 39.000 -0.620 0.000 0.994 819 F HN 0.379 nan 8.300 nan 0.000 0.520 820 K N 0.054 120.460 120.400 0.010 0.000 2.149 820 K HA 0.220 4.540 4.320 -0.000 0.000 0.245 820 K C 0.761 177.471 176.600 0.183 0.000 1.024 820 K CA -0.349 55.990 56.287 0.087 0.000 0.899 820 K CB 0.669 33.178 32.500 0.015 0.000 1.038 820 K HN -0.022 nan 8.250 nan 0.000 0.496 821 S N 0.495 116.259 115.700 0.108 0.000 2.537 821 S HA 0.012 4.482 4.470 -0.000 0.000 0.286 821 S C 0.648 175.267 174.600 0.031 0.000 1.299 821 S CA -0.124 58.123 58.200 0.077 0.000 1.067 821 S CB 0.289 63.502 63.200 0.021 0.000 0.864 821 S HN 0.450 nan 8.310 nan 0.000 0.494 822 R N 2.531 123.023 120.500 -0.014 0.000 2.334 822 R HA 0.171 4.511 4.340 -0.000 0.000 0.220 822 R C -0.171 176.108 176.300 -0.035 0.000 0.917 822 R CA 0.044 56.125 56.100 -0.032 0.000 1.073 822 R CB 0.213 30.451 30.300 -0.104 0.000 1.056 822 R HN 0.383 nan 8.270 nan 0.000 0.506 823 R N 0.586 121.061 120.500 -0.042 0.000 2.255 823 R HA 0.151 4.491 4.340 -0.000 0.000 0.326 823 R C -0.965 175.333 176.300 -0.003 0.000 0.986 823 R CA -0.511 55.562 56.100 -0.045 0.000 0.847 823 R CB 0.466 30.727 30.300 -0.063 0.000 1.111 823 R HN -0.053 nan 8.270 nan 0.000 0.452 824 F N 2.748 122.597 119.950 -0.170 0.000 2.533 824 F HA 0.429 4.956 4.527 -0.000 0.000 0.378 824 F C 0.811 176.524 175.800 -0.146 0.000 1.070 824 F CA 1.273 59.163 58.000 -0.182 0.000 1.172 824 F CB 0.291 39.124 39.000 -0.277 0.000 1.085 824 F HN 0.610 nan 8.300 nan 0.000 0.552 825 G N 0.000 108.591 108.800 -0.348 0.000 5.446 825 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 825 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 825 G CA 0.000 44.992 45.100 -0.180 0.000 0.502 825 G HN 0.000 nan 8.290 nan 0.000 0.925