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 1g8j_1_A DATA FIRST_RESID 6 DATA SEQUENCE RITLPPANAQ RTNMTCHFCI VGCGYHVYKW PELEEGGRAP EQNALGLDFR DATA SEQUENCE KQLPPLASTL TPAMTNVVTE HDGARYDIMV VPDKACVVNS GLSSTRGGKM DATA SEQUENCE ASYMYTPTGD GKERLSAPRL YAADEWVDTT WDHAMALYAG LIKKTLDSDG DATA SEQUENCE PQGVFFSCFD HGGAGGGFEN TWGTGKLMFS AIQTPMVRIH NRPAYNSECH DATA SEQUENCE ATREMGIGEL NNAYEDAQLA DVIWSIGNNP YESQTNYFLN HWLPNLQGAT DATA SEQUENCE TSKKKERFPN ENFPQARIIF VDPRETPSVA IARHVAGNDR VLHLAIEPGT DATA SEQUENCE DTALFNGLFT YVVEQGWIDK PFIEAHTKGF DDAVKTNRLS LDECSNITGV DATA SEQUENCE PVDMLKRAAE WSYKPKASGQ APRTMHAYEK GIIWGNDNYV IQSALLDLVI DATA SEQUENCE ATHNVGRRGT GCVRMGGHQE GYTRPPYPGD KKIYIDQELI KGKGRIMTWW DATA SEQUENCE GCNNFQTSNN AQALREAILQ RSAIVKQAMQ KARGATTEEM VDVIYEATQN DATA SEQUENCE GGLFVTSINL YPTKLAEAAH LMLPAAHPGE MNLTSMNGER RIRLSEKFMD DATA SEQUENCE PPGTAMADCL IAARIANALR DMYQKDGKAE MAAQFEGFDW KTEEDAFNDG DATA SEQUENCE FRRAGQPGAP AIDSQGGSTG HLVTYDRLRK SGNNGVQLPV VSWDESKGLV DATA SEQUENCE GTEMLYTEGK FDTDDGKAHF KPAPWNGLPA TVQQQKDKYR FWLNNGRNNE DATA SEQUENCE VWQTAYHDQY NSLMQERYPM AYIEMNPDDC KQLDVTGGDI VEVYNDFGST DATA SEQUENCE FAMVYPVAEI KRGQTFMLFG YVNGIQGDVT TDWTDRDIIP YYKGTWGDIR DATA SEQUENCE KVGSMSEFKR TVSFKSRRFG 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.299 176.300 -0.001 0.000 0.893 6 R CA 0.000 56.102 56.100 0.004 0.000 0.921 6 R CB 0.000 30.300 30.300 0.000 0.000 0.687 7 I N 2.004 122.564 120.570 -0.016 0.000 2.582 7 I HA 0.306 4.476 4.170 0.000 0.000 0.292 7 I C -0.343 175.747 176.117 -0.044 0.000 1.066 7 I CA -0.925 60.361 61.300 -0.023 0.000 1.053 7 I CB 2.664 40.646 38.000 -0.029 0.000 1.241 7 I HN 0.541 nan 8.210 nan 0.000 0.421 8 T N 6.651 121.220 114.554 0.025 0.000 2.728 8 T HA 0.449 4.799 4.350 0.000 0.000 0.296 8 T C 0.075 174.853 174.700 0.131 0.000 0.940 8 T CA -0.375 61.779 62.100 0.091 0.000 1.013 8 T CB 0.312 69.296 68.868 0.192 0.000 0.912 8 T HN 0.242 nan 8.240 nan 0.000 0.484 9 L N 6.419 127.581 121.223 -0.102 0.000 2.417 9 L HA 0.347 4.687 4.340 0.000 0.000 0.268 9 L C -1.738 174.806 176.870 -0.543 0.000 1.158 9 L CA -2.005 52.641 54.840 -0.324 0.000 0.819 9 L CB 0.520 42.308 42.059 -0.451 0.000 1.112 9 L HN 0.351 nan 8.230 nan 0.000 0.458 10 P HA 0.293 nan 4.420 nan 0.000 0.290 10 P C -2.674 174.012 177.300 -1.025 0.000 1.276 10 P CA -2.121 59.819 63.100 -1.934 0.000 0.808 10 P CB 0.978 31.639 31.700 -1.733 0.000 0.966 11 P HA -0.021 nan 4.420 nan 0.000 0.269 11 P C 1.014 178.109 177.300 -0.342 0.000 1.217 11 P CA 0.287 63.125 63.100 -0.436 0.000 0.783 11 P CB 0.227 31.752 31.700 -0.292 0.000 0.898 12 A N 2.958 125.645 122.820 -0.221 0.000 2.032 12 A HA -0.213 4.107 4.320 0.000 0.000 0.221 12 A C 1.500 179.017 177.584 -0.112 0.000 1.165 12 A CA 1.988 53.928 52.037 -0.161 0.000 0.645 12 A CB -1.184 17.752 19.000 -0.108 0.000 0.807 12 A HN 0.723 nan 8.150 nan 0.000 0.453 13 N N 0.084 118.728 118.700 -0.093 0.000 2.270 13 N HA 0.295 5.035 4.740 0.000 0.000 0.198 13 N C 0.393 175.900 175.510 -0.005 0.000 1.117 13 N CA 0.530 53.558 53.050 -0.037 0.000 0.845 13 N CB -0.633 37.844 38.487 -0.017 0.000 0.980 13 N HN 0.345 nan 8.380 nan 0.000 0.486 14 A N 0.781 123.574 122.820 -0.045 0.000 2.561 14 A HA -0.035 4.285 4.320 0.000 0.000 0.234 14 A C 0.486 178.155 177.584 0.141 0.000 1.055 14 A CA -0.219 51.851 52.037 0.055 0.000 0.756 14 A CB -0.079 18.875 19.000 -0.075 0.000 0.986 14 A HN 0.554 nan 8.150 nan 0.000 0.505 15 Q N 1.130 121.036 119.800 0.177 0.000 2.300 15 Q HA 0.211 4.551 4.340 0.000 0.000 0.280 15 Q C -0.104 175.947 176.000 0.085 0.000 1.033 15 Q CA 0.316 56.186 55.803 0.112 0.000 0.903 15 Q CB 0.343 29.141 28.738 0.101 0.000 1.195 15 Q HN 0.681 nan 8.270 nan 0.000 0.386 16 R N 2.556 123.046 120.500 -0.017 0.000 2.513 16 R HA 0.421 4.761 4.340 0.000 0.000 0.301 16 R C -1.283 174.922 176.300 -0.158 0.000 0.968 16 R CA -0.235 55.749 56.100 -0.193 0.000 0.872 16 R CB 1.581 31.717 30.300 -0.273 0.000 1.177 16 R HN 0.841 nan 8.270 nan 0.000 0.444 17 T N 0.220 114.667 114.554 -0.179 0.000 2.916 17 T HA 0.464 4.815 4.350 0.000 0.000 0.292 17 T C -0.428 174.246 174.700 -0.044 0.000 1.064 17 T CA -1.113 60.939 62.100 -0.080 0.000 1.011 17 T CB 1.535 70.391 68.868 -0.020 0.000 1.152 17 T HN 0.393 nan 8.240 nan 0.000 0.510 18 N N 1.065 119.762 118.700 -0.005 0.000 2.498 18 N HA 0.598 5.338 4.740 0.000 0.000 0.287 18 N C -0.934 174.560 175.510 -0.025 0.000 1.097 18 N CA -0.534 52.520 53.050 0.006 0.000 0.973 18 N CB 1.362 39.842 38.487 -0.011 0.000 1.153 18 N HN 0.726 nan 8.380 nan 0.000 0.472 19 M N 0.954 120.536 119.600 -0.030 0.000 2.224 19 M HA 0.291 4.771 4.480 0.000 0.000 0.281 19 M C -1.151 175.142 176.300 -0.011 0.000 1.025 19 M CA -0.231 55.055 55.300 -0.023 0.000 0.954 19 M CB 1.319 33.894 32.600 -0.041 0.000 1.639 19 M HN 0.294 nan 8.290 nan 0.000 0.461 20 T N 3.135 117.673 114.554 -0.028 0.000 2.910 20 T HA 0.274 4.625 4.350 0.000 0.000 0.293 20 T C -0.152 174.507 174.700 -0.067 0.000 1.015 20 T CA -0.248 61.846 62.100 -0.011 0.000 1.094 20 T CB 0.660 69.508 68.868 -0.033 0.000 0.968 20 T HN 0.891 nan 8.240 nan 0.000 0.521 21 C N 3.176 122.435 119.300 -0.069 0.000 2.597 21 C HA 0.008 4.468 4.460 0.000 0.000 0.412 21 C C 2.027 176.845 174.990 -0.286 0.000 1.348 21 C CA -0.047 58.806 59.018 -0.274 0.000 1.769 21 C CB -1.173 26.503 27.740 -0.107 0.000 2.641 21 C HN 1.006 nan 8.230 nan 0.000 0.612 22 H N 2.939 121.538 119.070 -0.785 0.000 2.457 22 H HA -0.034 4.522 4.556 0.000 0.000 0.294 22 H C 0.854 175.659 175.328 -0.871 0.000 1.064 22 H CA 1.745 57.248 56.048 -0.908 0.000 1.330 22 H CB 0.173 29.147 29.762 -1.312 0.000 1.395 22 H HN 0.702 nan 8.280 nan 0.000 0.541 23 F N 0.530 120.321 119.950 -0.265 0.000 2.383 23 F HA 0.031 4.558 4.527 -0.000 0.000 0.241 23 F C 1.733 177.331 175.800 -0.336 0.000 1.184 23 F CA -0.753 56.817 58.000 -0.717 0.000 0.992 23 F CB -0.932 37.020 39.000 -1.746 0.000 1.036 23 F HN 0.085 nan 8.300 nan 0.000 0.605 24 C N 2.121 121.359 119.300 -0.102 0.000 2.700 24 C HA 0.209 4.669 4.460 0.000 0.000 0.397 24 C C 2.186 177.285 174.990 0.183 0.000 1.301 24 C CA -1.127 58.028 59.018 0.229 0.000 2.219 24 C CB -0.055 27.851 27.740 0.276 0.000 2.699 24 C HN 0.677 nan 8.230 nan 0.000 0.669 25 I N 2.840 123.534 120.570 0.208 0.000 2.285 25 I HA -0.181 3.989 4.170 0.000 0.000 0.253 25 I C 2.053 178.274 176.117 0.173 0.000 1.104 25 I CA 2.050 63.456 61.300 0.177 0.000 1.372 25 I CB -0.409 37.693 38.000 0.170 0.000 1.057 25 I HN 0.732 nan 8.210 nan 0.000 0.431 26 V N 1.506 121.530 119.914 0.183 0.000 2.332 26 V HA -0.156 3.964 4.120 0.000 0.000 0.248 26 V C 1.736 177.932 176.094 0.170 0.000 1.055 26 V CA 1.383 63.817 62.300 0.224 0.000 1.038 26 V CB -2.003 29.926 31.823 0.176 0.000 0.651 26 V HN 0.794 nan 8.190 nan 0.000 0.450 27 G N -0.194 108.675 108.800 0.115 0.000 2.367 27 G HA2 -0.265 3.695 3.960 0.000 0.000 0.295 27 G HA3 -0.265 3.695 3.960 0.000 0.000 0.295 27 G C -0.034 174.917 174.900 0.087 0.000 1.019 27 G CA 0.026 45.170 45.100 0.073 0.000 1.224 27 G HN 0.541 nan 8.290 nan 0.000 0.510 28 C N 0.472 119.850 119.300 0.130 0.000 2.644 28 C HA 0.596 5.056 4.460 0.000 0.000 0.417 28 C C 1.614 176.697 174.990 0.154 0.000 1.304 28 C CA 0.244 59.343 59.018 0.134 0.000 2.035 28 C CB 0.434 28.281 27.740 0.177 0.000 2.673 28 C HN 1.047 nan 8.230 nan 0.000 0.602 29 G N 1.966 110.770 108.800 0.006 0.000 2.390 29 G HA2 0.508 4.468 3.960 0.000 0.000 0.270 29 G HA3 0.508 4.468 3.960 0.000 0.000 0.270 29 G C -1.177 173.620 174.900 -0.171 0.000 1.211 29 G CA 0.042 45.117 45.100 -0.043 0.000 0.842 29 G HN 0.749 nan 8.290 nan 0.000 0.519 30 Y N -0.540 119.613 120.300 -0.245 0.000 2.638 30 Y HA 0.482 5.032 4.550 -0.000 0.000 0.339 30 Y C 0.135 175.816 175.900 -0.364 0.000 1.084 30 Y CA -0.864 57.073 58.100 -0.272 0.000 1.068 30 Y CB 2.463 40.815 38.460 -0.180 0.000 1.294 30 Y HN 0.613 nan 8.280 nan 0.000 0.480 31 H N -0.376 118.681 119.070 -0.021 0.000 2.622 31 H HA 0.687 5.243 4.556 0.000 0.000 0.363 31 H C -1.410 173.724 175.328 -0.323 0.000 1.151 31 H CA -1.079 54.824 56.048 -0.241 0.000 1.184 31 H CB 2.064 31.593 29.762 -0.387 0.000 1.643 31 H HN 0.238 nan 8.280 nan 0.000 0.531 32 V N 3.604 123.324 119.914 -0.323 0.000 2.409 32 V HA 0.180 4.300 4.120 0.000 0.000 0.291 32 V C -1.067 174.751 176.094 -0.460 0.000 1.020 32 V CA -0.764 61.276 62.300 -0.434 0.000 0.848 32 V CB 0.611 31.986 31.823 -0.748 0.000 0.990 32 V HN 0.633 nan 8.190 nan 0.000 0.430 33 Y N 3.551 123.829 120.300 -0.036 0.000 2.330 33 Y HA 0.594 5.144 4.550 0.000 0.000 0.336 33 Y C 0.304 176.343 175.900 0.232 0.000 1.036 33 Y CA -0.493 57.680 58.100 0.122 0.000 1.125 33 Y CB 1.490 40.072 38.460 0.203 0.000 1.194 33 Y HN 0.477 nan 8.280 nan 0.000 0.469 34 K N 4.833 125.478 120.400 0.408 0.000 2.471 34 K HA 0.527 4.847 4.320 0.000 0.000 0.252 34 K C -1.951 174.974 176.600 0.541 0.000 0.938 34 K CA -0.599 55.879 56.287 0.319 0.000 0.796 34 K CB 1.593 34.153 32.500 0.100 0.000 1.161 34 K HN 0.811 nan 8.250 nan 0.000 0.425 35 W N 2.031 123.460 121.300 0.215 0.000 3.248 35 W HA 0.466 5.126 4.660 -0.000 0.000 0.311 35 W C -3.152 173.528 176.519 0.268 0.000 1.258 35 W CA -2.251 55.235 57.345 0.236 0.000 1.191 35 W CB -0.016 29.511 29.460 0.111 0.000 1.389 35 W HN 0.337 nan 8.180 nan 0.000 0.561 36 P HA -0.099 nan 4.420 nan 0.000 0.264 36 P C -0.117 177.059 177.300 -0.208 0.000 1.179 36 P CA 0.417 63.429 63.100 -0.147 0.000 0.763 36 P CB 0.634 32.298 31.700 -0.060 0.000 0.806 37 E N 3.601 123.625 120.200 -0.293 0.000 2.392 37 E HA 0.049 4.399 4.350 0.000 0.000 0.264 37 E C 0.436 176.975 176.600 -0.102 0.000 1.024 37 E CA -0.165 56.100 56.400 -0.224 0.000 0.903 37 E CB -0.026 29.556 29.700 -0.196 0.000 0.963 37 E HN 0.443 nan 8.360 nan 0.000 0.432 38 L N 1.034 122.233 121.223 -0.041 0.000 4.586 38 L HA -0.192 4.148 4.340 0.000 0.000 0.401 38 L C -0.368 176.540 176.870 0.064 0.000 0.854 38 L CA 0.563 55.408 54.840 0.007 0.000 1.918 38 L CB -1.168 40.880 42.059 -0.018 0.000 1.631 38 L HN 0.597 nan 8.230 nan 0.000 0.579 39 E N 2.005 122.289 120.200 0.140 0.000 2.197 39 E HA 0.439 4.789 4.350 0.000 0.000 0.281 39 E C 0.066 176.842 176.600 0.292 0.000 0.995 39 E CA -0.086 56.434 56.400 0.200 0.000 0.808 39 E CB 1.411 31.275 29.700 0.274 0.000 1.093 39 E HN 0.371 nan 8.360 nan 0.000 0.394 40 E N 0.941 121.216 120.200 0.125 0.000 2.248 40 E HA 0.647 4.997 4.350 0.000 0.000 0.267 40 E C 0.055 176.604 176.600 -0.084 0.000 0.877 40 E CA -1.219 55.218 56.400 0.061 0.000 0.759 40 E CB 1.431 31.155 29.700 0.041 0.000 1.182 40 E HN 0.365 nan 8.360 nan 0.000 0.418 41 G N 1.563 110.234 108.800 -0.214 0.000 2.634 41 G HA2 0.452 4.412 3.960 0.000 0.000 0.255 41 G HA3 0.452 4.412 3.960 0.000 0.000 0.255 41 G C 0.153 174.955 174.900 -0.163 0.000 1.205 41 G CA -0.251 44.700 45.100 -0.249 0.000 0.884 41 G HN 0.571 nan 8.290 nan 0.000 0.549 42 G N -1.290 107.432 108.800 -0.130 0.000 2.477 42 G HA2 0.409 4.369 3.960 0.000 0.000 0.304 42 G HA3 0.409 4.369 3.960 0.000 0.000 0.304 42 G C 0.792 175.654 174.900 -0.062 0.000 1.175 42 G CA -0.680 44.372 45.100 -0.080 0.000 0.907 42 G HN 0.548 nan 8.290 nan 0.000 0.509 43 R N 0.329 120.819 120.500 -0.017 0.000 2.148 43 R HA 0.083 4.423 4.340 0.000 0.000 0.223 43 R C 1.499 177.846 176.300 0.077 0.000 1.088 43 R CA 0.641 56.776 56.100 0.059 0.000 0.985 43 R CB -0.104 30.240 30.300 0.074 0.000 0.880 43 R HN 0.503 nan 8.270 nan 0.000 0.451 44 A N 2.721 125.555 122.820 0.024 0.000 2.477 44 A HA 0.124 4.444 4.320 0.000 0.000 0.246 44 A C -1.407 176.182 177.584 0.008 0.000 1.078 44 A CA -1.229 50.815 52.037 0.011 0.000 0.770 44 A CB 0.180 19.176 19.000 -0.007 0.000 1.011 44 A HN -0.002 nan 8.150 nan 0.000 0.494 45 P HA -0.265 nan 4.420 nan 0.000 0.216 45 P C 0.963 178.247 177.300 -0.026 0.000 1.154 45 P CA 1.878 64.974 63.100 -0.006 0.000 0.865 45 P CB 0.080 31.768 31.700 -0.021 0.000 0.789 46 E N 0.393 120.574 120.200 -0.030 0.000 2.482 46 E HA -0.145 4.205 4.350 0.000 0.000 0.196 46 E C 1.522 178.090 176.600 -0.054 0.000 1.047 46 E CA 0.696 57.072 56.400 -0.040 0.000 0.869 46 E CB -0.690 28.991 29.700 -0.033 0.000 0.836 46 E HN 0.400 nan 8.360 nan 0.000 0.520 47 Q N 0.879 120.646 119.800 -0.055 0.000 2.360 47 Q HA 0.065 4.405 4.340 0.000 0.000 0.202 47 Q C -0.353 175.573 176.000 -0.123 0.000 0.915 47 Q CA 0.256 56.014 55.803 -0.075 0.000 0.943 47 Q CB 0.073 28.775 28.738 -0.059 0.000 1.064 47 Q HN 0.393 nan 8.270 nan 0.000 0.511 48 N N -2.815 115.804 118.700 -0.135 0.000 2.277 48 N HA 0.368 5.108 4.740 0.000 0.000 0.286 48 N C -0.171 175.192 175.510 -0.244 0.000 1.140 48 N CA -0.319 52.594 53.050 -0.228 0.000 0.799 48 N CB 0.957 39.310 38.487 -0.223 0.000 1.596 48 N HN -0.146 nan 8.380 nan 0.000 0.473 49 A N 0.773 123.367 122.820 -0.376 0.000 2.186 49 A HA -0.021 4.299 4.320 0.000 0.000 0.219 49 A C 1.383 178.757 177.584 -0.350 0.000 1.159 49 A CA 0.871 52.690 52.037 -0.365 0.000 0.680 49 A CB -0.864 17.831 19.000 -0.510 0.000 0.787 49 A HN 0.697 nan 8.150 nan 0.000 0.467 50 L N -1.648 119.374 121.223 -0.336 0.000 2.375 50 L HA 0.159 4.499 4.340 0.000 0.000 0.215 50 L C 1.753 178.592 176.870 -0.053 0.000 1.108 50 L CA 0.508 55.247 54.840 -0.168 0.000 0.830 50 L CB -0.503 41.509 42.059 -0.078 0.000 0.959 50 L HN 0.529 nan 8.230 nan 0.000 0.457 51 G N 1.325 110.091 108.800 -0.057 0.000 2.198 51 G HA2 -0.279 3.681 3.960 0.000 0.000 0.260 51 G HA3 -0.279 3.681 3.960 0.000 0.000 0.260 51 G C -0.022 174.866 174.900 -0.020 0.000 1.025 51 G CA 0.143 45.222 45.100 -0.034 0.000 0.769 51 G HN 0.239 nan 8.290 nan 0.000 0.507 52 L N -0.341 120.890 121.223 0.013 0.000 2.334 52 L HA 0.508 4.848 4.340 0.000 0.000 0.273 52 L C -0.210 176.642 176.870 -0.030 0.000 1.013 52 L CA -1.098 53.715 54.840 -0.045 0.000 0.816 52 L CB 1.665 43.667 42.059 -0.095 0.000 1.278 52 L HN 0.070 nan 8.230 nan 0.000 0.431 53 D N 1.399 121.714 120.400 -0.142 0.000 2.441 53 D HA 0.140 4.780 4.640 0.000 0.000 0.221 53 D C 0.152 176.349 176.300 -0.172 0.000 1.156 53 D CA -0.017 53.927 54.000 -0.094 0.000 0.896 53 D CB 0.359 41.107 40.800 -0.087 0.000 1.028 53 D HN 0.222 nan 8.370 nan 0.000 0.509 54 F N 1.956 121.878 119.950 -0.046 0.000 2.731 54 F HA 0.219 4.746 4.527 -0.000 0.000 0.304 54 F C 2.067 177.848 175.800 -0.031 0.000 1.133 54 F CA -0.121 57.855 58.000 -0.039 0.000 1.380 54 F CB 0.276 39.249 39.000 -0.046 0.000 1.079 54 F HN 0.227 nan 8.300 nan 0.000 0.550 55 R N 0.759 121.310 120.500 0.085 0.000 2.153 55 R HA 0.002 4.342 4.340 0.000 0.000 0.218 55 R C 0.417 176.731 176.300 0.023 0.000 1.072 55 R CA 0.770 56.900 56.100 0.049 0.000 0.990 55 R CB 0.018 30.331 30.300 0.022 0.000 0.889 55 R HN 0.233 nan 8.270 nan 0.000 0.452 56 K N -0.180 120.215 120.400 -0.008 0.000 2.482 56 K HA 0.242 4.562 4.320 0.000 0.000 0.257 56 K C -1.063 175.502 176.600 -0.057 0.000 0.969 56 K CA -1.120 55.152 56.287 -0.024 0.000 0.842 56 K CB 1.362 33.843 32.500 -0.031 0.000 1.359 56 K HN -0.361 nan 8.250 nan 0.000 0.441 57 Q N 1.605 121.378 119.800 -0.044 0.000 2.348 57 Q HA -0.018 4.322 4.340 0.000 0.000 0.331 57 Q C -1.036 174.898 176.000 -0.110 0.000 1.099 57 Q CA 0.682 56.449 55.803 -0.061 0.000 1.021 57 Q CB 0.244 28.959 28.738 -0.037 0.000 1.166 57 Q HN 0.603 nan 8.270 nan 0.000 0.393 58 L N 6.955 128.084 121.223 -0.157 0.000 2.395 58 L HA 0.490 4.830 4.340 0.000 0.000 0.269 58 L C -1.609 175.191 176.870 -0.116 0.000 1.133 58 L CA -1.931 52.794 54.840 -0.192 0.000 0.812 58 L CB 0.782 42.667 42.059 -0.291 0.000 1.125 58 L HN 0.785 nan 8.230 nan 0.000 0.452 59 P HA 0.253 nan 4.420 nan 0.000 0.276 59 P C -2.692 174.572 177.300 -0.061 0.000 1.261 59 P CA -1.473 61.586 63.100 -0.069 0.000 0.800 59 P CB -0.153 31.509 31.700 -0.063 0.000 1.066 60 P HA 0.094 nan 4.420 nan 0.000 0.268 60 P C 0.669 177.947 177.300 -0.036 0.000 1.205 60 P CA 0.146 63.226 63.100 -0.033 0.000 0.771 60 P CB 0.395 32.082 31.700 -0.022 0.000 0.858 61 L N -0.472 120.732 121.223 -0.033 0.000 5.081 61 L HA -0.319 4.021 4.340 0.000 0.000 0.423 61 L C 1.658 178.503 176.870 -0.042 0.000 1.019 61 L CA 0.902 55.722 54.840 -0.033 0.000 1.223 61 L CB -2.134 39.906 42.059 -0.031 0.000 1.940 61 L HN 0.451 nan 8.230 nan 0.000 0.675 62 A N -0.392 122.395 122.820 -0.054 0.000 1.968 62 A HA 0.184 4.504 4.320 0.000 0.000 0.217 62 A C 1.073 178.623 177.584 -0.057 0.000 1.169 62 A CA 1.746 53.742 52.037 -0.069 0.000 0.638 62 A CB -0.032 18.904 19.000 -0.107 0.000 0.812 62 A HN 0.767 nan 8.150 nan 0.000 0.446 63 S N -3.341 112.333 115.700 -0.042 0.000 2.587 63 S HA 0.529 4.999 4.470 0.000 0.000 0.269 63 S C -0.891 173.712 174.600 0.005 0.000 1.154 63 S CA -0.409 57.784 58.200 -0.011 0.000 0.824 63 S CB 1.255 64.459 63.200 0.006 0.000 1.118 63 S HN 0.075 nan 8.310 nan 0.000 0.462 64 T N 2.117 116.683 114.554 0.019 0.000 2.977 64 T HA 0.667 5.017 4.350 0.000 0.000 0.346 64 T C -1.286 173.449 174.700 0.057 0.000 1.140 64 T CA -0.286 61.828 62.100 0.024 0.000 1.040 64 T CB 0.282 69.151 68.868 0.001 0.000 1.046 64 T HN 0.788 nan 8.240 nan 0.000 0.494 65 L N 3.902 125.168 121.223 0.070 0.000 2.562 65 L HA 0.737 5.077 4.340 0.000 0.000 0.266 65 L C -0.425 176.492 176.870 0.077 0.000 0.949 65 L CA -0.009 54.886 54.840 0.092 0.000 0.879 65 L CB 1.929 44.072 42.059 0.140 0.000 1.278 65 L HN 0.673 nan 8.230 nan 0.000 0.404 66 T N 1.306 115.895 114.554 0.058 0.000 2.841 66 T HA 0.623 4.973 4.350 0.000 0.000 0.296 66 T C -2.525 172.192 174.700 0.029 0.000 1.166 66 T CA -1.644 60.480 62.100 0.041 0.000 1.007 66 T CB 1.817 70.700 68.868 0.025 0.000 1.253 66 T HN 0.298 nan 8.240 nan 0.000 0.511 67 P HA -0.002 nan 4.420 nan 0.000 0.217 67 P C 1.499 178.796 177.300 -0.005 0.000 1.148 67 P CA 1.479 64.584 63.100 0.009 0.000 0.828 67 P CB -0.229 31.475 31.700 0.007 0.000 0.783 68 A N -1.269 121.541 122.820 -0.016 0.000 2.119 68 A HA -0.069 4.251 4.320 0.000 0.000 0.217 68 A C 1.816 179.365 177.584 -0.059 0.000 1.153 68 A CA 1.081 53.089 52.037 -0.049 0.000 0.692 68 A CB -1.140 17.819 19.000 -0.069 0.000 0.799 68 A HN 0.172 nan 8.150 nan 0.000 0.458 69 M N 0.537 120.126 119.600 -0.019 0.000 2.505 69 M HA 0.084 4.564 4.480 0.000 0.000 0.230 69 M C 0.415 176.726 176.300 0.018 0.000 1.153 69 M CA 0.532 55.831 55.300 -0.000 0.000 0.997 69 M CB -0.122 32.505 32.600 0.044 0.000 1.606 69 M HN 0.475 nan 8.290 nan 0.000 0.481 70 T N -2.523 112.034 114.554 0.005 0.000 2.887 70 T HA 0.708 5.058 4.350 0.000 0.000 0.292 70 T C -0.647 174.041 174.700 -0.020 0.000 1.087 70 T CA -0.820 61.284 62.100 0.008 0.000 1.009 70 T CB 2.744 71.626 68.868 0.023 0.000 1.203 70 T HN 0.086 nan 8.240 nan 0.000 0.518 71 N N -1.147 117.527 118.700 -0.043 0.000 3.355 71 N HA 0.416 5.156 4.740 0.000 0.000 0.238 71 N C -2.195 173.265 175.510 -0.084 0.000 1.466 71 N CA -0.469 52.553 53.050 -0.046 0.000 0.882 71 N CB 1.935 40.413 38.487 -0.015 0.000 1.406 71 N HN 0.635 nan 8.380 nan 0.000 0.500 72 V N 1.683 121.553 119.914 -0.073 0.000 2.409 72 V HA 0.407 4.527 4.120 0.000 0.000 0.290 72 V C 0.194 176.261 176.094 -0.045 0.000 1.017 72 V CA -0.781 61.468 62.300 -0.085 0.000 0.841 72 V CB 1.194 32.959 31.823 -0.097 0.000 1.003 72 V HN 0.491 nan 8.190 nan 0.000 0.426 73 V N 2.425 122.342 119.914 0.005 0.000 2.997 73 V HA 0.754 4.874 4.120 0.000 0.000 0.311 73 V C 0.111 176.247 176.094 0.070 0.000 1.066 73 V CA -0.182 62.137 62.300 0.031 0.000 1.039 73 V CB 1.785 33.667 31.823 0.097 0.000 1.081 73 V HN 0.729 nan 8.190 nan 0.000 0.467 74 T N 3.013 117.610 114.554 0.072 0.000 2.809 74 T HA 0.394 4.744 4.350 0.000 0.000 0.296 74 T C -0.329 174.473 174.700 0.169 0.000 1.015 74 T CA -0.283 61.884 62.100 0.111 0.000 0.954 74 T CB 0.711 69.625 68.868 0.078 0.000 0.950 74 T HN 0.849 nan 8.240 nan 0.000 0.450 75 E N 1.316 121.636 120.200 0.200 0.000 2.392 75 E HA 0.122 4.472 4.350 0.000 0.000 0.256 75 E C 1.177 177.906 176.600 0.216 0.000 1.145 75 E CA -0.135 56.361 56.400 0.161 0.000 0.929 75 E CB 0.645 30.455 29.700 0.183 0.000 0.998 75 E HN 0.702 nan 8.360 nan 0.000 0.442 76 H N 0.348 119.468 119.070 0.084 0.000 2.457 76 H HA -0.160 4.396 4.556 -0.000 0.000 0.297 76 H C 0.848 176.215 175.328 0.065 0.000 1.092 76 H CA 1.135 57.222 56.048 0.065 0.000 1.309 76 H CB 0.284 30.071 29.762 0.042 0.000 1.382 76 H HN 0.424 nan 8.280 nan 0.000 0.535 77 D N -0.997 119.523 120.400 0.200 0.000 2.336 77 D HA 0.052 4.692 4.640 0.000 0.000 0.229 77 D C 1.628 177.994 176.300 0.110 0.000 1.061 77 D CA 0.675 54.757 54.000 0.137 0.000 0.875 77 D CB 0.012 40.887 40.800 0.126 0.000 0.904 77 D HN 0.400 nan 8.370 nan 0.000 0.525 78 G N -0.766 108.106 108.800 0.121 0.000 2.176 78 G HA2 -0.199 3.761 3.960 0.000 0.000 0.253 78 G HA3 -0.199 3.761 3.960 0.000 0.000 0.253 78 G C 0.468 175.401 174.900 0.056 0.000 0.979 78 G CA 0.032 45.181 45.100 0.081 0.000 0.641 78 G HN 0.854 nan 8.290 nan 0.000 0.530 79 A N 0.257 123.124 122.820 0.078 0.000 2.363 79 A HA 0.763 5.083 4.320 0.000 0.000 0.270 79 A C 0.614 178.171 177.584 -0.045 0.000 1.121 79 A CA -0.095 51.927 52.037 -0.025 0.000 0.800 79 A CB 0.361 19.345 19.000 -0.026 0.000 1.052 79 A HN 0.477 nan 8.150 nan 0.000 0.493 80 R N 0.999 121.382 120.500 -0.195 0.000 2.312 80 R HA 0.497 4.837 4.340 0.000 0.000 0.311 80 R C -1.660 174.440 176.300 -0.333 0.000 1.004 80 R CA 0.018 56.031 56.100 -0.144 0.000 0.902 80 R CB 0.996 31.228 30.300 -0.114 0.000 1.073 80 R HN 0.739 nan 8.270 nan 0.000 0.457 81 Y N 0.484 120.727 120.300 -0.096 0.000 2.425 81 Y HA 0.207 4.757 4.550 0.000 0.000 0.344 81 Y C 0.115 175.835 175.900 -0.300 0.000 0.969 81 Y CA -0.965 57.033 58.100 -0.171 0.000 1.052 81 Y CB 1.801 40.213 38.460 -0.079 0.000 1.215 81 Y HN 0.428 nan 8.280 nan 0.000 0.451 82 D N 3.956 124.078 120.400 -0.463 0.000 2.345 82 D HA 0.392 5.032 4.640 0.000 0.000 0.247 82 D C -0.353 175.529 176.300 -0.696 0.000 1.108 82 D CA 0.300 53.827 54.000 -0.790 0.000 0.894 82 D CB 1.280 41.050 40.800 -1.715 0.000 1.203 82 D HN 0.586 nan 8.370 nan 0.000 0.430 83 I N -1.711 118.621 120.570 -0.397 0.000 2.865 83 I HA 0.614 4.784 4.170 0.000 0.000 0.302 83 I C -1.102 175.000 176.117 -0.024 0.000 1.140 83 I CA -1.001 60.206 61.300 -0.154 0.000 1.021 83 I CB 2.665 40.635 38.000 -0.051 0.000 1.233 83 I HN 0.180 nan 8.210 nan 0.000 0.427 84 M N 5.444 125.124 119.600 0.134 0.000 2.271 84 M HA 0.586 5.066 4.480 0.000 0.000 0.285 84 M C -2.198 174.190 176.300 0.146 0.000 1.059 84 M CA -0.566 54.858 55.300 0.208 0.000 0.940 84 M CB 2.204 35.052 32.600 0.413 0.000 1.636 84 M HN 0.546 nan 8.290 nan 0.000 0.460 85 V N 5.999 125.959 119.914 0.078 0.000 2.326 85 V HA 0.603 4.723 4.120 0.000 0.000 0.281 85 V C -0.463 175.748 176.094 0.195 0.000 1.015 85 V CA -0.638 61.691 62.300 0.049 0.000 0.823 85 V CB 1.167 32.934 31.823 -0.092 0.000 1.009 85 V HN 0.686 nan 8.190 nan 0.000 0.436 86 V N 3.473 123.541 119.914 0.257 0.000 3.001 86 V HA 0.787 4.907 4.120 0.000 0.000 0.314 86 V C -2.632 173.475 176.094 0.021 0.000 1.099 86 V CA -2.783 59.645 62.300 0.213 0.000 0.989 86 V CB 2.356 34.298 31.823 0.198 0.000 1.040 86 V HN 0.570 nan 8.190 nan 0.000 0.434 87 P HA 0.157 nan 4.420 nan 0.000 0.271 87 P C -1.083 175.988 177.300 -0.382 0.000 1.218 87 P CA 0.279 62.909 63.100 -0.782 0.000 0.780 87 P CB 0.788 32.081 31.700 -0.677 0.000 0.901 88 D N 1.859 121.991 120.400 -0.448 0.000 2.347 88 D HA 0.083 4.723 4.640 0.000 0.000 0.235 88 D C 1.028 177.221 176.300 -0.180 0.000 1.149 88 D CA -0.285 53.507 54.000 -0.346 0.000 0.850 88 D CB 0.580 41.037 40.800 -0.571 0.000 1.061 88 D HN 0.141 nan 8.370 nan 0.000 0.487 89 K N 2.412 122.767 120.400 -0.076 0.000 2.280 89 K HA -0.069 4.251 4.320 0.000 0.000 0.202 89 K C 1.404 177.979 176.600 -0.041 0.000 1.047 89 K CA 1.027 57.282 56.287 -0.053 0.000 0.942 89 K CB 0.174 32.662 32.500 -0.020 0.000 0.739 89 K HN 0.423 nan 8.250 nan 0.000 0.457 90 A N 0.601 123.407 122.820 -0.024 0.000 2.218 90 A HA -0.004 4.316 4.320 0.000 0.000 0.209 90 A C 0.775 178.343 177.584 -0.028 0.000 1.168 90 A CA -0.176 51.853 52.037 -0.014 0.000 0.804 90 A CB -0.174 18.837 19.000 0.018 0.000 0.834 90 A HN 0.383 nan 8.150 nan 0.000 0.482 91 C N 1.485 120.750 119.300 -0.059 0.000 2.627 91 C HA 0.307 4.767 4.460 0.000 0.000 0.404 91 C C 2.163 177.145 174.990 -0.014 0.000 1.340 91 C CA 0.093 59.082 59.018 -0.049 0.000 1.758 91 C CB -0.635 27.053 27.740 -0.086 0.000 2.501 91 C HN 0.730 nan 8.230 nan 0.000 0.588 92 V N 5.670 125.592 119.914 0.013 0.000 3.078 92 V HA -0.047 4.073 4.120 0.000 0.000 0.265 92 V C 1.731 177.912 176.094 0.146 0.000 1.122 92 V CA 1.790 64.122 62.300 0.053 0.000 1.141 92 V CB -1.049 30.810 31.823 0.059 0.000 0.735 92 V HN 0.774 nan 8.190 nan 0.000 0.498 93 V N 3.193 123.191 119.914 0.139 0.000 2.244 93 V HA -0.170 3.950 4.120 0.000 0.000 0.244 93 V C 2.502 178.783 176.094 0.313 0.000 1.042 93 V CA 2.566 65.028 62.300 0.271 0.000 1.006 93 V CB -0.846 31.066 31.823 0.148 0.000 0.641 93 V HN 0.879 nan 8.190 nan 0.000 0.446 94 N N -1.508 117.264 118.700 0.119 0.000 2.220 94 N HA -0.014 4.726 4.740 0.000 0.000 0.195 94 N C 0.573 176.067 175.510 -0.028 0.000 1.123 94 N CA 0.743 53.822 53.050 0.048 0.000 0.874 94 N CB 0.588 39.067 38.487 -0.013 0.000 0.995 94 N HN 0.320 nan 8.380 nan 0.000 0.498 95 S N 0.124 115.802 115.700 -0.037 0.000 3.491 95 S HA -0.081 4.389 4.470 0.000 0.000 0.371 95 S C 1.185 175.738 174.600 -0.078 0.000 0.980 95 S CA 1.041 59.205 58.200 -0.060 0.000 1.204 95 S CB -1.895 61.263 63.200 -0.071 0.000 0.915 95 S HN 1.069 nan 8.310 nan 0.000 0.482 96 G N -1.026 107.707 108.800 -0.112 0.000 2.179 96 G HA2 -0.300 3.660 3.960 0.000 0.000 0.260 96 G HA3 -0.300 3.660 3.960 0.000 0.000 0.260 96 G C 0.040 174.852 174.900 -0.147 0.000 0.977 96 G CA 0.321 45.339 45.100 -0.136 0.000 0.641 96 G HN 0.679 nan 8.290 nan 0.000 0.533 97 L N 0.954 122.104 121.223 -0.121 0.000 2.395 97 L HA 0.624 4.964 4.340 0.000 0.000 0.269 97 L C 0.704 177.498 176.870 -0.126 0.000 1.133 97 L CA 0.019 54.803 54.840 -0.093 0.000 0.812 97 L CB 1.690 43.723 42.059 -0.044 0.000 1.125 97 L HN 0.214 nan 8.230 nan 0.000 0.452 98 S N 1.235 116.893 115.700 -0.070 0.000 2.557 98 S HA 0.497 4.967 4.470 0.000 0.000 0.291 98 S C -0.364 174.263 174.600 0.045 0.000 1.116 98 S CA -0.720 57.485 58.200 0.008 0.000 0.992 98 S CB 1.549 64.769 63.200 0.034 0.000 1.028 98 S HN 0.684 nan 8.310 nan 0.000 0.484 99 S N 2.997 118.743 115.700 0.077 0.000 2.669 99 S HA 0.287 4.757 4.470 0.000 0.000 0.270 99 S C 1.252 175.868 174.600 0.026 0.000 1.225 99 S CA 0.108 58.320 58.200 0.019 0.000 0.991 99 S CB 0.844 64.046 63.200 0.002 0.000 0.987 99 S HN 0.765 nan 8.310 nan 0.000 0.552 100 T N 0.385 114.938 114.554 -0.003 0.000 2.929 100 T HA -0.061 4.289 4.350 0.000 0.000 0.271 100 T C 1.765 176.450 174.700 -0.024 0.000 1.085 100 T CA 1.481 63.579 62.100 -0.004 0.000 1.125 100 T CB -0.434 68.438 68.868 0.007 0.000 0.874 100 T HN 0.678 nan 8.240 nan 0.000 0.494 101 R N -0.335 120.149 120.500 -0.027 0.000 2.057 101 R HA 0.166 4.506 4.340 0.000 0.000 0.224 101 R C 2.893 179.181 176.300 -0.020 0.000 1.136 101 R CA 1.041 57.080 56.100 -0.102 0.000 0.968 101 R CB -0.730 29.472 30.300 -0.164 0.000 0.863 101 R HN 0.350 nan 8.270 nan 0.000 0.433 102 G N 0.390 109.234 108.800 0.072 0.000 2.422 102 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 102 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 102 G C 1.473 176.326 174.900 -0.078 0.000 1.140 102 G CA 0.730 45.833 45.100 0.005 0.000 0.775 102 G HN 0.445 nan 8.290 nan 0.000 0.545 103 G N 0.589 109.411 108.800 0.036 0.000 2.479 103 G HA2 -0.147 3.813 3.960 0.000 0.000 0.220 103 G HA3 -0.147 3.813 3.960 0.000 0.000 0.220 103 G C 1.638 176.481 174.900 -0.094 0.000 1.115 103 G CA 0.772 45.891 45.100 0.031 0.000 0.757 103 G HN 0.500 nan 8.290 nan 0.000 0.560 104 K N -0.396 119.885 120.400 -0.199 0.000 2.404 104 K HA 0.299 4.619 4.320 0.000 0.000 0.194 104 K C 2.227 178.567 176.600 -0.434 0.000 1.023 104 K CA -0.342 55.693 56.287 -0.420 0.000 1.094 104 K CB 0.000 32.038 32.500 -0.771 0.000 0.841 104 K HN 0.259 nan 8.250 nan 0.000 0.523 105 M N 0.791 120.225 119.600 -0.278 0.000 2.116 105 M HA -0.278 4.202 4.480 0.000 0.000 0.255 105 M C 2.377 178.556 176.300 -0.203 0.000 1.075 105 M CA 2.007 57.128 55.300 -0.299 0.000 1.087 105 M CB -0.475 31.805 32.600 -0.534 0.000 1.340 105 M HN 0.289 nan 8.290 nan 0.000 0.402 106 A N -0.860 121.863 122.820 -0.162 0.000 1.933 106 A HA -0.130 4.190 4.320 0.000 0.000 0.218 106 A C 2.211 179.771 177.584 -0.041 0.000 1.175 106 A CA 2.066 54.062 52.037 -0.069 0.000 0.628 106 A CB -0.690 18.280 19.000 -0.050 0.000 0.814 106 A HN 0.474 nan 8.150 nan 0.000 0.444 107 S N -1.328 114.296 115.700 -0.126 0.000 2.447 107 S HA -0.053 4.417 4.470 0.000 0.000 0.233 107 S C 1.176 175.852 174.600 0.126 0.000 1.006 107 S CA 0.821 58.974 58.200 -0.077 0.000 0.957 107 S CB -0.340 62.727 63.200 -0.221 0.000 0.773 107 S HN 0.659 nan 8.310 nan 0.000 0.507 108 Y N 0.527 120.809 120.300 -0.031 0.000 2.457 108 Y HA 0.388 4.938 4.550 0.000 0.000 0.263 108 Y C 0.743 176.707 175.900 0.107 0.000 1.164 108 Y CA -0.932 57.121 58.100 -0.078 0.000 1.274 108 Y CB -0.551 37.642 38.460 -0.445 0.000 1.097 108 Y HN 0.188 nan 8.280 nan 0.000 0.523 109 M N -0.524 119.244 119.600 0.281 0.000 2.228 109 M HA 0.025 4.505 4.480 0.000 0.000 0.326 109 M C -0.050 176.431 176.300 0.303 0.000 1.122 109 M CA -0.788 54.732 55.300 0.367 0.000 1.161 109 M CB 0.029 32.800 32.600 0.286 0.000 1.437 109 M HN 0.238 nan 8.290 nan 0.000 0.465 110 Y N 1.825 122.246 120.300 0.201 0.000 2.425 110 Y HA 0.323 4.873 4.550 0.000 0.000 0.331 110 Y C 0.131 176.080 175.900 0.082 0.000 1.157 110 Y CA 0.066 58.223 58.100 0.095 0.000 1.372 110 Y CB 0.497 38.957 38.460 -0.000 0.000 1.253 110 Y HN 0.717 nan 8.280 nan 0.000 0.536 111 T N 4.566 118.407 114.554 -1.187 0.000 2.942 111 T HA 0.311 4.661 4.350 0.000 0.000 0.327 111 T C -2.651 171.492 174.700 -0.929 0.000 1.360 111 T CA -1.605 59.948 62.100 -0.913 0.000 1.055 111 T CB 2.056 70.730 68.868 -0.322 0.000 1.261 111 T HN 0.377 nan 8.240 nan 0.000 0.485 112 P HA 0.060 nan 4.420 nan 0.000 0.237 112 P C 0.988 178.241 177.300 -0.079 0.000 1.178 112 P CA 0.706 63.713 63.100 -0.155 0.000 0.766 112 P CB -0.082 31.618 31.700 -0.001 0.000 0.876 113 T N -5.617 108.874 114.554 -0.105 0.000 3.004 113 T HA 0.359 4.709 4.350 0.000 0.000 0.266 113 T C 1.116 175.797 174.700 -0.033 0.000 0.986 113 T CA 0.058 62.130 62.100 -0.046 0.000 0.902 113 T CB 0.015 68.862 68.868 -0.035 0.000 1.118 113 T HN -0.014 nan 8.240 nan 0.000 0.522 114 G N 1.067 109.834 108.800 -0.055 0.000 2.543 114 G HA2 0.388 4.348 3.960 0.000 0.000 0.267 114 G HA3 0.388 4.348 3.960 0.000 0.000 0.267 114 G C 0.142 175.068 174.900 0.044 0.000 1.406 114 G CA -0.327 44.772 45.100 -0.002 0.000 1.048 114 G HN 0.064 nan 8.290 nan 0.000 0.548 115 D N -0.295 120.176 120.400 0.118 0.000 2.263 115 D HA -0.036 4.604 4.640 0.000 0.000 0.208 115 D C 2.151 178.531 176.300 0.134 0.000 0.971 115 D CA 1.326 55.439 54.000 0.189 0.000 0.867 115 D CB -0.158 40.858 40.800 0.361 0.000 0.929 115 D HN 0.371 nan 8.370 nan 0.000 0.492 116 G N 0.538 109.435 108.800 0.162 0.000 3.434 116 G HA2 -0.031 3.929 3.960 0.000 0.000 0.258 116 G HA3 -0.031 3.929 3.960 0.000 0.000 0.258 116 G C 1.168 176.177 174.900 0.182 0.000 1.128 116 G CA -0.252 44.999 45.100 0.252 0.000 0.792 116 G HN 0.298 nan 8.290 nan 0.000 0.539 117 K N 0.108 120.531 120.400 0.038 0.000 2.442 117 K HA 0.040 4.360 4.320 0.000 0.000 0.198 117 K C 1.003 177.648 176.600 0.074 0.000 1.042 117 K CA 0.832 57.165 56.287 0.077 0.000 0.958 117 K CB 0.247 32.754 32.500 0.013 0.000 0.766 117 K HN 0.055 nan 8.250 nan 0.000 0.474 118 E N 1.135 121.301 120.200 -0.058 0.000 2.465 118 E HA 0.085 4.435 4.350 0.000 0.000 0.191 118 E C -0.039 176.585 176.600 0.039 0.000 1.053 118 E CA -0.043 56.334 56.400 -0.040 0.000 0.869 118 E CB 0.157 29.752 29.700 -0.175 0.000 0.977 118 E HN 0.209 nan 8.360 nan 0.000 0.483 119 R N 0.563 121.038 120.500 -0.041 0.000 2.817 119 R HA 0.082 4.423 4.340 0.000 0.000 0.264 119 R C 0.548 176.689 176.300 -0.265 0.000 1.009 119 R CA 0.069 55.940 56.100 -0.381 0.000 1.133 119 R CB 0.299 30.365 30.300 -0.390 0.000 1.013 119 R HN 0.091 nan 8.270 nan 0.000 0.453 120 L N 1.588 122.622 121.223 -0.314 0.000 2.313 120 L HA 0.087 4.427 4.340 0.000 0.000 0.282 120 L C 1.060 177.785 176.870 -0.241 0.000 1.092 120 L CA 0.210 54.908 54.840 -0.237 0.000 0.831 120 L CB 1.087 43.006 42.059 -0.234 0.000 1.159 120 L HN 0.596 nan 8.230 nan 0.000 0.442 121 S N 2.000 117.583 115.700 -0.194 0.000 2.539 121 S HA 0.471 4.941 4.470 0.000 0.000 0.221 121 S C 0.288 174.830 174.600 -0.098 0.000 0.987 121 S CA 0.047 58.140 58.200 -0.178 0.000 0.929 121 S CB 0.695 63.796 63.200 -0.166 0.000 0.832 121 S HN 0.757 nan 8.310 nan 0.000 0.492 122 A N 1.439 124.188 122.820 -0.119 0.000 2.566 122 A HA 0.677 4.997 4.320 0.000 0.000 0.290 122 A C -3.343 174.079 177.584 -0.271 0.000 1.071 122 A CA -1.457 50.495 52.037 -0.140 0.000 0.658 122 A CB 0.202 19.145 19.000 -0.095 0.000 1.285 122 A HN -0.048 nan 8.150 nan 0.000 0.427 123 P HA 0.376 nan 4.420 nan 0.000 0.268 123 P C -0.710 176.444 177.300 -0.243 0.000 1.205 123 P CA 0.227 63.018 63.100 -0.516 0.000 0.771 123 P CB 0.440 31.693 31.700 -0.744 0.000 0.858 124 R N 1.853 122.262 120.500 -0.152 0.000 2.711 124 R HA 0.721 5.061 4.340 0.000 0.000 0.284 124 R C -1.086 175.384 176.300 0.284 0.000 0.968 124 R CA -1.033 55.097 56.100 0.050 0.000 0.924 124 R CB 1.539 31.824 30.300 -0.025 0.000 1.162 124 R HN 0.321 nan 8.270 nan 0.000 0.465 125 L N 1.915 123.355 121.223 0.362 0.000 2.408 125 L HA 0.353 4.693 4.340 0.000 0.000 0.268 125 L C -1.538 175.352 176.870 0.034 0.000 0.986 125 L CA -0.799 54.192 54.840 0.251 0.000 0.820 125 L CB 1.583 43.684 42.059 0.071 0.000 1.303 125 L HN 0.533 nan 8.230 nan 0.000 0.411 126 Y N 4.466 124.475 120.300 -0.485 0.000 2.486 126 Y HA 0.647 5.198 4.550 0.000 0.000 0.348 126 Y C -0.158 175.538 175.900 -0.340 0.000 1.000 126 Y CA 0.411 58.004 58.100 -0.845 0.000 1.253 126 Y CB 0.528 38.360 38.460 -1.046 0.000 1.140 126 Y HN 0.786 nan 8.280 nan 0.000 0.526 127 A N 4.147 126.649 122.820 -0.531 0.000 2.547 127 A HA 0.670 4.990 4.320 0.000 0.000 0.297 127 A C 0.158 177.537 177.584 -0.341 0.000 1.056 127 A CA -0.501 51.369 52.037 -0.278 0.000 0.688 127 A CB 0.715 19.647 19.000 -0.113 0.000 1.282 127 A HN 1.779 nan 8.150 nan 0.000 0.400 128 A N 1.707 124.398 122.820 -0.215 0.000 2.822 128 A HA -0.043 4.277 4.320 0.000 0.000 0.287 128 A C 0.333 177.760 177.584 -0.263 0.000 1.479 128 A CA 1.627 53.558 52.037 -0.177 0.000 0.779 128 A CB -2.413 16.509 19.000 -0.131 0.000 1.022 128 A HN 2.182 nan 8.150 nan 0.000 0.532 129 D N -1.748 118.426 120.400 -0.377 0.000 2.723 129 D HA -0.147 4.493 4.640 0.000 0.000 0.236 129 D C 0.145 176.078 176.300 -0.611 0.000 1.138 129 D CA 2.231 55.989 54.000 -0.402 0.000 0.676 129 D CB -0.917 39.830 40.800 -0.089 0.000 1.069 129 D HN 1.419 nan 8.370 nan 0.000 0.430 130 E N -2.421 117.124 120.200 -1.093 0.000 2.429 130 E HA 0.441 4.791 4.350 0.000 0.000 0.277 130 E C -1.230 174.910 176.600 -0.766 0.000 1.130 130 E CA -1.158 54.827 56.400 -0.691 0.000 0.875 130 E CB 0.340 29.887 29.700 -0.255 0.000 1.443 130 E HN 0.059 nan 8.360 nan 0.000 0.444 131 W N 1.348 122.531 121.300 -0.194 0.000 2.433 131 W HA 0.547 5.207 4.660 -0.000 0.000 0.315 131 W C -0.313 176.158 176.519 -0.079 0.000 1.087 131 W CA -0.425 56.862 57.345 -0.097 0.000 1.205 131 W CB 1.989 31.442 29.460 -0.011 0.000 1.288 131 W HN 0.520 nan 8.180 nan 0.000 0.504 132 V N -0.214 119.810 119.914 0.184 0.000 2.962 132 V HA 0.515 4.635 4.120 0.000 0.000 0.313 132 V C -0.374 175.784 176.094 0.106 0.000 1.099 132 V CA -1.222 61.137 62.300 0.099 0.000 0.971 132 V CB 1.801 33.643 31.823 0.032 0.000 1.028 132 V HN 0.428 nan 8.190 nan 0.000 0.430 133 D N 1.798 122.233 120.400 0.058 0.000 2.362 133 D HA 0.481 5.121 4.640 0.000 0.000 0.242 133 D C 0.016 176.333 176.300 0.028 0.000 1.132 133 D CA 0.422 54.436 54.000 0.023 0.000 0.907 133 D CB 1.976 42.777 40.800 0.002 0.000 1.195 133 D HN 0.877 nan 8.370 nan 0.000 0.429 134 T N -1.024 113.528 114.554 -0.003 0.000 2.669 134 T HA 0.509 4.859 4.350 0.000 0.000 0.283 134 T C -0.727 173.965 174.700 -0.013 0.000 1.019 134 T CA -0.493 61.631 62.100 0.040 0.000 1.039 134 T CB 1.355 70.248 68.868 0.041 0.000 1.374 134 T HN 0.462 nan 8.240 nan 0.000 0.523 135 T N -1.325 113.255 114.554 0.043 0.000 2.952 135 T HA 0.409 4.759 4.350 0.000 0.000 0.286 135 T C 0.565 175.262 174.700 -0.006 0.000 1.024 135 T CA -0.644 61.477 62.100 0.036 0.000 1.029 135 T CB 1.083 70.014 68.868 0.106 0.000 1.094 135 T HN 0.733 nan 8.240 nan 0.000 0.515 136 W N 0.319 121.632 121.300 0.021 0.000 2.363 136 W HA 0.013 4.673 4.660 -0.000 0.000 0.296 136 W C 1.855 178.387 176.519 0.022 0.000 1.212 136 W CA 0.950 58.297 57.345 0.003 0.000 1.260 136 W CB -0.195 29.259 29.460 -0.010 0.000 1.131 136 W HN 0.750 nan 8.180 nan 0.000 0.530 137 D N -1.999 118.552 120.400 0.252 0.000 2.117 137 D HA -0.215 4.425 4.640 0.000 0.000 0.198 137 D C 1.820 178.225 176.300 0.174 0.000 0.982 137 D CA 1.554 55.658 54.000 0.174 0.000 0.828 137 D CB -0.724 40.150 40.800 0.123 0.000 0.967 137 D HN 0.347 nan 8.370 nan 0.000 0.464 138 H N 0.050 119.144 119.070 0.040 0.000 2.299 138 H HA -0.037 4.519 4.556 0.000 0.000 0.302 138 H C 1.961 177.299 175.328 0.016 0.000 1.078 138 H CA 1.235 57.292 56.048 0.016 0.000 1.323 138 H CB 0.241 30.005 29.762 0.004 0.000 1.381 138 H HN 0.077 nan 8.280 nan 0.000 0.498 139 A N 1.327 124.118 122.820 -0.048 0.000 1.917 139 A HA -0.210 4.110 4.320 0.000 0.000 0.219 139 A C 2.386 179.974 177.584 0.006 0.000 1.182 139 A CA 1.882 53.836 52.037 -0.138 0.000 0.633 139 A CB -0.483 18.349 19.000 -0.280 0.000 0.819 139 A HN 0.422 nan 8.150 nan 0.000 0.448 140 M N -0.679 118.973 119.600 0.087 0.000 2.254 140 M HA -0.016 4.464 4.480 0.000 0.000 0.265 140 M C 2.455 178.803 176.300 0.079 0.000 1.066 140 M CA 1.285 56.661 55.300 0.128 0.000 1.123 140 M CB -1.518 31.172 32.600 0.149 0.000 1.388 140 M HN 0.498 nan 8.290 nan 0.000 0.425 141 A N 0.024 122.885 122.820 0.068 0.000 1.933 141 A HA -0.141 4.179 4.320 0.000 0.000 0.218 141 A C 2.211 179.789 177.584 -0.010 0.000 1.175 141 A CA 1.317 53.373 52.037 0.033 0.000 0.628 141 A CB -0.728 18.322 19.000 0.083 0.000 0.814 141 A HN 0.410 nan 8.150 nan 0.000 0.444 142 L N -2.257 118.962 121.223 -0.006 0.000 2.068 142 L HA 0.019 4.359 4.340 0.000 0.000 0.204 142 L C 2.256 179.033 176.870 -0.155 0.000 1.076 142 L CA 1.919 56.701 54.840 -0.096 0.000 0.753 142 L CB -0.841 41.158 42.059 -0.101 0.000 0.910 142 L HN 0.470 nan 8.230 nan 0.000 0.439 143 Y N 0.088 120.294 120.300 -0.156 0.000 2.133 143 Y HA -0.157 4.393 4.550 0.000 0.000 0.287 143 Y C 2.403 178.222 175.900 -0.134 0.000 1.134 143 Y CA 1.992 60.016 58.100 -0.128 0.000 1.133 143 Y CB -0.404 38.037 38.460 -0.032 0.000 0.987 143 Y HN 0.242 nan 8.280 nan 0.000 0.502 144 A N -0.325 122.496 122.820 0.002 0.000 1.968 144 A HA -0.003 4.317 4.320 0.000 0.000 0.217 144 A C 2.426 179.870 177.584 -0.234 0.000 1.169 144 A CA 1.338 53.298 52.037 -0.129 0.000 0.638 144 A CB -1.571 17.366 19.000 -0.105 0.000 0.812 144 A HN 0.574 nan 8.150 nan 0.000 0.446 145 G N 0.184 108.860 108.800 -0.206 0.000 2.446 145 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 145 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 145 G C 1.556 176.298 174.900 -0.263 0.000 1.168 145 G CA 1.136 46.098 45.100 -0.230 0.000 0.771 145 G HN 0.426 nan 8.290 nan 0.000 0.551 146 L N 0.069 121.109 121.223 -0.305 0.000 2.017 146 L HA 0.016 4.356 4.340 0.000 0.000 0.208 146 L C 2.872 179.599 176.870 -0.238 0.000 1.073 146 L CA 0.702 55.364 54.840 -0.296 0.000 0.745 146 L CB -0.327 41.459 42.059 -0.455 0.000 0.894 146 L HN 0.178 nan 8.230 nan 0.000 0.432 147 I N -0.150 120.240 120.570 -0.299 0.000 2.361 147 I HA -0.314 3.856 4.170 0.000 0.000 0.251 147 I C 2.689 178.733 176.117 -0.121 0.000 1.133 147 I CA 1.289 62.468 61.300 -0.203 0.000 1.413 147 I CB -0.255 37.606 38.000 -0.231 0.000 1.073 147 I HN 0.299 nan 8.210 nan 0.000 0.424 148 K N 1.481 121.758 120.400 -0.205 0.000 2.031 148 K HA -0.227 4.093 4.320 0.000 0.000 0.205 148 K C 2.235 178.742 176.600 -0.155 0.000 1.049 148 K CA 1.414 57.568 56.287 -0.221 0.000 0.939 148 K CB 0.000 32.219 32.500 -0.468 0.000 0.717 148 K HN 0.075 nan 8.250 nan 0.000 0.438 149 K N -0.034 120.232 120.400 -0.224 0.000 2.057 149 K HA -0.107 4.213 4.320 0.000 0.000 0.207 149 K C 1.876 178.334 176.600 -0.237 0.000 1.049 149 K CA 1.955 58.058 56.287 -0.308 0.000 0.931 149 K CB -0.076 32.131 32.500 -0.489 0.000 0.714 149 K HN 0.143 nan 8.250 nan 0.000 0.440 150 T N 1.845 116.351 114.554 -0.081 0.000 2.684 150 T HA -0.144 4.206 4.350 0.000 0.000 0.267 150 T C 1.754 176.500 174.700 0.078 0.000 1.036 150 T CA 1.376 63.536 62.100 0.099 0.000 1.148 150 T CB -0.158 68.780 68.868 0.117 0.000 0.863 150 T HN 0.160 nan 8.240 nan 0.000 0.436 151 L N 0.865 122.132 121.223 0.074 0.000 2.046 151 L HA -0.127 4.214 4.340 0.000 0.000 0.208 151 L C 2.428 179.359 176.870 0.102 0.000 1.077 151 L CA 1.213 56.126 54.840 0.120 0.000 0.747 151 L CB -0.554 41.633 42.059 0.212 0.000 0.896 151 L HN 0.215 nan 8.230 nan 0.000 0.432 152 D N -0.907 119.540 120.400 0.079 0.000 2.183 152 D HA -0.097 4.543 4.640 0.000 0.000 0.203 152 D C 2.290 178.603 176.300 0.021 0.000 0.969 152 D CA 1.120 55.155 54.000 0.058 0.000 0.842 152 D CB 0.157 40.979 40.800 0.037 0.000 0.957 152 D HN 0.181 nan 8.370 nan 0.000 0.484 153 S N 0.163 115.865 115.700 0.003 0.000 2.412 153 S HA -0.010 4.460 4.470 0.000 0.000 0.223 153 S C 1.238 175.888 174.600 0.083 0.000 1.048 153 S CA 0.455 58.676 58.200 0.034 0.000 0.954 153 S CB 0.378 63.597 63.200 0.030 0.000 0.840 153 S HN 0.181 nan 8.310 nan 0.000 0.503 154 D N 0.339 120.806 120.400 0.110 0.000 2.392 154 D HA 0.334 4.974 4.640 0.000 0.000 0.206 154 D C 1.163 177.514 176.300 0.084 0.000 1.046 154 D CA 0.778 54.843 54.000 0.108 0.000 0.865 154 D CB 0.636 41.520 40.800 0.141 0.000 0.969 154 D HN 0.428 nan 8.370 nan 0.000 0.509 155 G N 1.515 110.363 108.800 0.080 0.000 2.728 155 G HA2 -0.208 3.752 3.960 0.000 0.000 0.294 155 G HA3 -0.208 3.752 3.960 0.000 0.000 0.294 155 G C -2.192 172.754 174.900 0.077 0.000 1.342 155 G CA -0.475 44.664 45.100 0.066 0.000 0.866 155 G HN -0.081 nan 8.290 nan 0.000 0.534 156 P HA -0.030 nan 4.420 nan 0.000 0.218 156 P C 1.715 179.045 177.300 0.051 0.000 1.149 156 P CA 1.647 64.787 63.100 0.066 0.000 0.817 156 P CB -0.011 31.707 31.700 0.030 0.000 0.785 157 Q N -1.059 118.761 119.800 0.034 0.000 2.508 157 Q HA -0.027 4.313 4.340 0.000 0.000 0.214 157 Q C 1.895 177.971 176.000 0.128 0.000 0.979 157 Q CA 1.066 56.882 55.803 0.022 0.000 0.911 157 Q CB -0.694 28.061 28.738 0.028 0.000 0.969 157 Q HN 0.294 nan 8.270 nan 0.000 0.504 158 G N -0.306 108.588 108.800 0.158 0.000 3.042 158 G HA2 0.140 4.100 3.960 0.000 0.000 0.212 158 G HA3 0.140 4.100 3.960 0.000 0.000 0.212 158 G C 0.221 175.280 174.900 0.265 0.000 1.166 158 G CA -0.102 45.135 45.100 0.227 0.000 0.767 158 G HN 0.052 nan 8.290 nan 0.000 0.546 159 V N 1.179 121.216 119.914 0.204 0.000 2.384 159 V HA 0.522 4.642 4.120 0.000 0.000 0.287 159 V C -0.923 175.249 176.094 0.130 0.000 1.020 159 V CA -0.830 61.553 62.300 0.139 0.000 0.850 159 V CB 0.973 32.858 31.823 0.102 0.000 0.987 159 V HN 0.141 nan 8.190 nan 0.000 0.436 160 F N 4.367 124.205 119.950 -0.186 0.000 2.480 160 F HA 0.747 5.274 4.527 -0.001 0.000 0.329 160 F C -0.284 175.318 175.800 -0.330 0.000 1.091 160 F CA -0.524 57.396 58.000 -0.132 0.000 0.972 160 F CB 1.853 40.779 39.000 -0.123 0.000 1.150 160 F HN 0.317 nan 8.300 nan 0.000 0.467 161 F N 0.794 120.835 119.950 0.151 0.000 2.599 161 F HA 0.485 5.012 4.527 -0.000 0.000 0.311 161 F C -0.263 175.581 175.800 0.074 0.000 1.076 161 F CA -0.874 57.193 58.000 0.112 0.000 0.937 161 F CB 2.319 41.423 39.000 0.175 0.000 1.282 161 F HN 0.193 nan 8.300 nan 0.000 0.460 162 S N 2.007 117.847 115.700 0.232 0.000 2.756 162 S HA 0.655 5.125 4.470 0.000 0.000 0.303 162 S C -1.468 173.335 174.600 0.337 0.000 1.135 162 S CA -0.351 57.983 58.200 0.224 0.000 1.066 162 S CB 0.807 64.054 63.200 0.079 0.000 1.008 162 S HN 0.799 nan 8.310 nan 0.000 0.482 163 C N 6.292 125.752 119.300 0.267 0.000 2.797 163 C HA 0.796 5.256 4.460 0.000 0.000 0.306 163 C C -0.342 174.637 174.990 -0.019 0.000 1.207 163 C CA -1.392 57.661 59.018 0.058 0.000 1.507 163 C CB 0.167 27.745 27.740 -0.269 0.000 2.028 163 C HN 0.917 nan 8.230 nan 0.000 0.475 164 F N 3.249 123.263 119.950 0.107 0.000 2.586 164 F HA 0.385 4.913 4.527 0.000 0.000 0.344 164 F C 0.952 176.714 175.800 -0.064 0.000 1.188 164 F CA 0.299 58.226 58.000 -0.122 0.000 1.359 164 F CB 0.439 39.078 39.000 -0.600 0.000 1.129 164 F HN 0.654 nan 8.300 nan 0.000 0.609 165 D N -1.094 119.401 120.400 0.158 0.000 2.562 165 D HA 0.062 4.702 4.640 0.000 0.000 0.246 165 D C -0.044 176.450 176.300 0.322 0.000 1.347 165 D CA -0.050 54.117 54.000 0.278 0.000 0.800 165 D CB -1.037 39.988 40.800 0.375 0.000 1.111 165 D HN 0.817 nan 8.370 nan 0.000 0.508 166 H N -0.892 118.303 119.070 0.208 0.000 2.645 166 H HA 0.786 5.342 4.556 -0.000 0.000 0.308 166 H C 0.767 176.087 175.328 -0.013 0.000 1.495 166 H CA -0.331 55.764 56.048 0.077 0.000 1.518 166 H CB 0.427 30.147 29.762 -0.070 0.000 1.752 166 H HN -0.016 nan 8.280 nan 0.000 0.797 167 G N -2.501 106.453 108.800 0.256 0.000 2.857 167 G HA2 0.520 4.480 3.960 0.000 0.000 0.217 167 G HA3 0.520 4.480 3.960 0.000 0.000 0.217 167 G C 0.229 175.215 174.900 0.144 0.000 1.357 167 G CA -0.643 44.493 45.100 0.060 0.000 1.033 167 G HN 1.138 nan 8.290 nan 0.000 0.571 168 G N -1.096 107.714 108.800 0.016 0.000 2.692 168 G HA2 0.311 4.271 3.960 0.000 0.000 0.248 168 G HA3 0.311 4.271 3.960 0.000 0.000 0.248 168 G C 0.583 175.445 174.900 -0.064 0.000 1.340 168 G CA 0.273 45.370 45.100 -0.004 0.000 0.896 168 G HN 2.041 nan 8.290 nan 0.000 0.570 169 A N -0.312 122.439 122.820 -0.114 0.000 2.520 169 A HA 0.615 4.935 4.320 0.000 0.000 0.245 169 A C 2.015 179.589 177.584 -0.017 0.000 1.072 169 A CA 2.100 54.039 52.037 -0.164 0.000 0.761 169 A CB -0.427 18.433 19.000 -0.233 0.000 1.004 169 A HN 2.933 nan 8.150 nan 0.000 0.499 170 G N 1.080 109.775 108.800 -0.175 0.000 2.143 170 G HA2 0.175 4.135 3.960 0.000 0.000 0.249 170 G HA3 0.175 4.135 3.960 0.000 0.000 0.249 170 G C 0.850 175.184 174.900 -0.942 0.000 0.981 170 G CA 0.738 45.617 45.100 -0.369 0.000 0.665 170 G HN 2.257 nan 8.290 nan 0.000 0.528 171 G N -1.823 106.568 108.800 -0.681 0.000 2.896 171 G HA2 0.948 4.908 3.960 0.000 0.000 0.247 171 G HA3 0.948 4.908 3.960 0.000 0.000 0.247 171 G C 0.414 175.118 174.900 -0.326 0.000 1.187 171 G CA 0.910 45.589 45.100 -0.701 0.000 0.837 171 G HN 2.313 nan 8.290 nan 0.000 0.559 172 G N -2.121 106.560 108.800 -0.199 0.000 2.617 172 G HA2 0.171 4.131 3.960 0.000 0.000 0.686 172 G HA3 0.171 4.131 3.960 0.000 0.000 0.686 172 G C 0.249 175.106 174.900 -0.072 0.000 1.214 172 G CA 0.052 45.048 45.100 -0.174 0.000 0.796 172 G HN 0.905 nan 8.290 nan 0.000 0.654 173 F N 0.474 120.494 119.950 0.116 0.000 2.250 173 F HA -0.019 4.508 4.527 0.000 0.000 0.301 173 F C 2.517 178.443 175.800 0.211 0.000 1.077 173 F CA 2.033 60.150 58.000 0.196 0.000 1.348 173 F CB 0.027 39.157 39.000 0.217 0.000 1.040 173 F HN 0.613 nan 8.300 nan 0.000 0.509 174 E N -0.157 120.243 120.200 0.334 0.000 2.060 174 E HA -0.095 4.255 4.350 0.000 0.000 0.189 174 E C 1.850 178.565 176.600 0.191 0.000 0.974 174 E CA 0.797 57.343 56.400 0.244 0.000 0.808 174 E CB -0.251 29.550 29.700 0.168 0.000 0.768 174 E HN 0.183 nan 8.360 nan 0.000 0.453 175 N N 0.045 118.822 118.700 0.129 0.000 2.188 175 N HA -0.105 4.635 4.740 0.000 0.000 0.184 175 N C 1.892 177.513 175.510 0.186 0.000 1.018 175 N CA 1.805 54.929 53.050 0.123 0.000 0.858 175 N CB -0.490 37.971 38.487 -0.042 0.000 0.989 175 N HN 0.354 nan 8.380 nan 0.000 0.426 176 T N -2.400 112.265 114.554 0.185 0.000 2.904 176 T HA -0.102 4.248 4.350 0.000 0.000 0.267 176 T C 1.705 176.379 174.700 -0.043 0.000 1.059 176 T CA 0.347 62.474 62.100 0.045 0.000 1.137 176 T CB -0.456 68.406 68.868 -0.010 0.000 0.879 176 T HN 0.406 nan 8.240 nan 0.000 0.467 177 W N 2.295 123.558 121.300 -0.063 0.000 2.409 177 W HA 0.035 4.695 4.660 -0.000 0.000 0.299 177 W C 2.191 178.722 176.519 0.020 0.000 1.203 177 W CA 0.929 58.241 57.345 -0.054 0.000 1.298 177 W CB -0.652 28.795 29.460 -0.022 0.000 1.127 177 W HN 0.392 nan 8.180 nan 0.000 0.528 178 G N 0.952 109.770 108.800 0.030 0.000 2.459 178 G HA2 -0.384 3.576 3.960 0.000 0.000 0.217 178 G HA3 -0.384 3.576 3.960 0.000 0.000 0.217 178 G C 1.537 176.384 174.900 -0.088 0.000 1.183 178 G CA 2.718 47.913 45.100 0.157 0.000 0.776 178 G HN 0.364 nan 8.290 nan 0.000 0.552 179 T N -0.843 113.513 114.554 -0.331 0.000 2.746 179 T HA 0.055 4.405 4.350 0.000 0.000 0.267 179 T C 2.454 176.747 174.700 -0.678 0.000 1.039 179 T CA 1.656 63.351 62.100 -0.676 0.000 1.142 179 T CB -0.742 67.447 68.868 -1.131 0.000 0.866 179 T HN 0.291 nan 8.240 nan 0.000 0.444 180 G N 1.386 109.782 108.800 -0.674 0.000 2.418 180 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 180 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 180 G C 1.604 176.087 174.900 -0.695 0.000 1.158 180 G CA 0.860 45.445 45.100 -0.857 0.000 0.771 180 G HN 0.556 nan 8.290 nan 0.000 0.545 181 K N -0.409 119.587 120.400 -0.673 0.000 2.057 181 K HA -0.023 4.297 4.320 0.000 0.000 0.207 181 K C 2.432 178.995 176.600 -0.062 0.000 1.049 181 K CA 1.107 57.070 56.287 -0.540 0.000 0.931 181 K CB -0.226 31.717 32.500 -0.928 0.000 0.714 181 K HN 0.271 nan 8.250 nan 0.000 0.440 182 L N 1.154 122.384 121.223 0.012 0.000 1.988 182 L HA -0.149 4.191 4.340 0.000 0.000 0.207 182 L C 2.167 178.978 176.870 -0.099 0.000 1.071 182 L CA 1.705 56.538 54.840 -0.012 0.000 0.744 182 L CB -0.364 41.653 42.059 -0.070 0.000 0.893 182 L HN 0.222 nan 8.230 nan 0.000 0.433 183 M N -1.413 117.989 119.600 -0.330 0.000 2.067 183 M HA -0.213 4.267 4.480 0.000 0.000 0.260 183 M C 2.297 178.626 176.300 0.047 0.000 1.069 183 M CA 2.217 57.331 55.300 -0.310 0.000 1.117 183 M CB -0.557 31.627 32.600 -0.694 0.000 1.334 183 M HN 0.246 nan 8.290 nan 0.000 0.407 184 F N -1.245 118.590 119.950 -0.192 0.000 2.262 184 F HA -0.027 4.501 4.527 0.001 0.000 0.292 184 F C 2.552 178.261 175.800 -0.152 0.000 1.081 184 F CA 0.121 58.011 58.000 -0.183 0.000 1.355 184 F CB -0.162 38.722 39.000 -0.192 0.000 1.069 184 F HN 0.083 nan 8.300 nan 0.000 0.506 185 S N 0.090 115.818 115.700 0.047 0.000 2.404 185 S HA 0.079 4.549 4.470 0.000 0.000 0.223 185 S C 2.010 176.562 174.600 -0.079 0.000 1.040 185 S CA 0.746 58.936 58.200 -0.017 0.000 0.957 185 S CB -0.098 63.079 63.200 -0.039 0.000 0.826 185 S HN 0.302 nan 8.310 nan 0.000 0.491 186 A N 1.421 124.189 122.820 -0.087 0.000 1.859 186 A HA 0.286 4.606 4.320 0.000 0.000 0.212 186 A C 1.964 179.332 177.584 -0.360 0.000 1.238 186 A CA 0.500 52.339 52.037 -0.330 0.000 0.613 186 A CB -0.666 18.187 19.000 -0.245 0.000 0.904 186 A HN 0.376 nan 8.150 nan 0.000 0.457 187 I N -0.920 119.645 120.570 -0.008 0.000 2.353 187 I HA -0.205 3.965 4.170 0.000 0.000 0.248 187 I C 0.584 176.740 176.117 0.065 0.000 1.119 187 I CA 1.195 62.592 61.300 0.161 0.000 1.417 187 I CB -0.315 37.868 38.000 0.305 0.000 1.078 187 I HN 0.477 nan 8.210 nan 0.000 0.421 188 Q N 0.249 120.068 119.800 0.032 0.000 2.502 188 Q HA -0.206 4.134 4.340 0.000 0.000 0.273 188 Q C 0.407 176.392 176.000 -0.026 0.000 1.127 188 Q CA 0.614 56.406 55.803 -0.017 0.000 0.952 188 Q CB -2.274 26.426 28.738 -0.064 0.000 1.333 188 Q HN 0.482 nan 8.270 nan 0.000 0.494 189 T N 0.738 115.327 114.554 0.058 0.000 2.817 189 T HA 0.349 4.699 4.350 0.000 0.000 0.293 189 T C -1.414 173.237 174.700 -0.080 0.000 0.964 189 T CA -1.638 60.478 62.100 0.027 0.000 1.085 189 T CB 1.026 69.985 68.868 0.151 0.000 0.921 189 T HN 0.052 nan 8.240 nan 0.000 0.502 190 P HA 0.142 nan 4.420 nan 0.000 0.251 190 P C 0.418 177.701 177.300 -0.030 0.000 1.223 190 P CA -0.013 62.890 63.100 -0.329 0.000 0.796 190 P CB 0.250 31.745 31.700 -0.341 0.000 1.068 191 M N 0.993 120.511 119.600 -0.137 0.000 3.706 191 M HA 0.187 4.668 4.480 0.000 0.000 0.204 191 M C -0.264 175.991 176.300 -0.076 0.000 1.455 191 M CA -0.228 54.863 55.300 -0.347 0.000 1.659 191 M CB -0.904 31.015 32.600 -1.135 0.000 1.076 191 M HN -0.268 nan 8.290 nan 0.000 0.577 192 V N 1.977 122.019 119.914 0.213 0.000 2.638 192 V HA 0.577 4.697 4.120 0.000 0.000 0.306 192 V C 0.056 176.396 176.094 0.410 0.000 1.052 192 V CA -0.980 61.541 62.300 0.368 0.000 0.885 192 V CB 2.525 34.649 31.823 0.502 0.000 0.999 192 V HN 0.708 nan 8.190 nan 0.000 0.424 193 R N 4.281 124.996 120.500 0.358 0.000 2.875 193 R HA 0.875 5.215 4.340 0.000 0.000 0.251 193 R C -0.953 175.534 176.300 0.313 0.000 1.123 193 R CA -0.882 55.402 56.100 0.307 0.000 1.064 193 R CB 1.531 31.981 30.300 0.250 0.000 1.205 193 R HN 0.474 nan 8.270 nan 0.000 0.503 194 I N 0.980 121.673 120.570 0.205 0.000 2.924 194 I HA 0.134 4.304 4.170 0.000 0.000 0.316 194 I C 1.716 177.970 176.117 0.229 0.000 1.014 194 I CA -1.110 60.306 61.300 0.195 0.000 1.106 194 I CB 1.480 39.500 38.000 0.033 0.000 1.311 194 I HN 0.864 nan 8.210 nan 0.000 0.502 195 H N 2.720 121.956 119.070 0.276 0.000 2.387 195 H HA -0.141 4.415 4.556 0.001 0.000 0.299 195 H C 0.897 176.428 175.328 0.339 0.000 1.099 195 H CA 2.073 58.329 56.048 0.347 0.000 1.315 195 H CB -0.528 29.479 29.762 0.409 0.000 1.380 195 H HN 0.727 nan 8.280 nan 0.000 0.513 196 N N 0.822 119.279 118.700 -0.406 0.000 2.184 196 N HA 0.004 4.744 4.740 0.000 0.000 0.206 196 N C -0.002 175.537 175.510 0.048 0.000 1.151 196 N CA -0.360 52.644 53.050 -0.078 0.000 0.878 196 N CB 0.530 39.022 38.487 0.010 0.000 1.014 196 N HN 0.502 nan 8.380 nan 0.000 0.512 197 R N -0.241 120.287 120.500 0.047 0.000 2.621 197 R HA 0.451 4.791 4.340 0.000 0.000 0.284 197 R C -2.562 173.751 176.300 0.023 0.000 0.998 197 R CA -1.563 54.559 56.100 0.037 0.000 0.895 197 R CB 1.560 31.927 30.300 0.112 0.000 1.195 197 R HN -0.220 nan 8.270 nan 0.000 0.450 198 P HA -0.040 nan 4.420 nan 0.000 0.239 198 P C -0.360 176.935 177.300 -0.009 0.000 1.184 198 P CA 0.791 63.864 63.100 -0.045 0.000 0.760 198 P CB 0.387 31.904 31.700 -0.305 0.000 0.884 199 A N -0.805 122.000 122.820 -0.026 0.000 2.552 199 A HA 0.507 4.827 4.320 0.000 0.000 0.288 199 A C -1.634 175.954 177.584 0.007 0.000 1.193 199 A CA -0.697 51.350 52.037 0.017 0.000 0.713 199 A CB 0.329 19.305 19.000 -0.040 0.000 1.305 199 A HN -0.060 nan 8.150 nan 0.000 0.424 200 Y N 2.422 122.633 120.300 -0.149 0.000 2.751 200 Y HA 0.399 4.949 4.550 -0.000 0.000 0.333 200 Y C 0.189 175.974 175.900 -0.191 0.000 1.122 200 Y CA -0.013 57.950 58.100 -0.227 0.000 1.367 200 Y CB -0.038 38.032 38.460 -0.650 0.000 1.242 200 Y HN 0.856 nan 8.280 nan 0.000 0.505 201 N N 0.599 119.159 118.700 -0.233 0.000 3.278 201 N HA 0.492 5.232 4.740 0.000 0.000 0.307 201 N C -1.489 173.935 175.510 -0.143 0.000 1.551 201 N CA -1.048 52.001 53.050 -0.002 0.000 0.794 201 N CB 1.415 40.012 38.487 0.184 0.000 1.770 201 N HN 0.153 nan 8.380 nan 0.000 0.612 202 S N -1.765 113.783 115.700 -0.253 0.000 2.578 202 S HA 0.346 4.817 4.470 0.000 0.000 0.301 202 S C -0.040 174.428 174.600 -0.221 0.000 1.091 202 S CA -0.534 57.407 58.200 -0.430 0.000 1.032 202 S CB 0.884 63.631 63.200 -0.755 0.000 1.064 202 S HN 0.538 nan 8.310 nan 0.000 0.508 203 E N 1.327 121.459 120.200 -0.114 0.000 2.481 203 E HA 0.099 4.449 4.350 0.000 0.000 0.195 203 E C -0.056 176.533 176.600 -0.018 0.000 1.047 203 E CA 0.262 56.647 56.400 -0.026 0.000 0.867 203 E CB 0.121 29.753 29.700 -0.112 0.000 0.858 203 E HN 0.532 nan 8.360 nan 0.000 0.513 204 C N 0.924 120.169 119.300 -0.091 0.000 2.751 204 C HA 0.250 4.710 4.460 0.000 0.000 0.248 204 C C 1.378 176.332 174.990 -0.060 0.000 1.710 204 C CA -0.826 58.167 59.018 -0.041 0.000 1.676 204 C CB -1.009 26.733 27.740 0.003 0.000 3.106 204 C HN 0.466 nan 8.230 nan 0.000 0.502 205 H N 1.300 120.399 119.070 0.048 0.000 2.319 205 H HA -0.144 4.413 4.556 0.001 0.000 0.299 205 H C 2.292 177.620 175.328 -0.001 0.000 1.092 205 H CA 2.235 58.338 56.048 0.092 0.000 1.302 205 H CB -0.140 29.769 29.762 0.245 0.000 1.373 205 H HN 0.594 nan 8.280 nan 0.000 0.497 206 A N 0.022 122.758 122.820 -0.140 0.000 1.858 206 A HA -0.185 4.135 4.320 0.000 0.000 0.216 206 A C 2.689 180.117 177.584 -0.260 0.000 1.190 206 A CA 2.299 54.021 52.037 -0.525 0.000 0.617 206 A CB -1.150 17.234 19.000 -1.026 0.000 0.827 206 A HN 0.459 nan 8.150 nan 0.000 0.443 207 T N -0.950 113.487 114.554 -0.196 0.000 2.720 207 T HA -0.175 4.175 4.350 0.000 0.000 0.268 207 T C 2.084 176.732 174.700 -0.086 0.000 1.037 207 T CA 1.800 63.815 62.100 -0.142 0.000 1.144 207 T CB -0.301 68.527 68.868 -0.066 0.000 0.864 207 T HN 0.546 nan 8.240 nan 0.000 0.444 208 R N 0.474 120.954 120.500 -0.033 0.000 2.073 208 R HA -0.042 4.298 4.340 0.000 0.000 0.234 208 R C 2.572 178.867 176.300 -0.008 0.000 1.134 208 R CA 1.840 57.942 56.100 0.003 0.000 0.952 208 R CB -0.259 30.057 30.300 0.027 0.000 0.850 208 R HN 0.570 nan 8.270 nan 0.000 0.433 209 E N 0.366 120.574 120.200 0.014 0.000 2.204 209 E HA -0.164 4.186 4.350 0.000 0.000 0.195 209 E C 1.752 178.321 176.600 -0.052 0.000 0.990 209 E CA 1.059 57.476 56.400 0.029 0.000 0.821 209 E CB -0.039 29.729 29.700 0.114 0.000 0.750 209 E HN 0.353 nan 8.360 nan 0.000 0.477 210 M N -0.935 118.596 119.600 -0.115 0.000 2.595 210 M HA 0.075 4.555 4.480 0.000 0.000 0.248 210 M C 1.220 177.328 176.300 -0.320 0.000 1.119 210 M CA 0.818 56.000 55.300 -0.198 0.000 1.079 210 M CB 0.699 33.158 32.600 -0.235 0.000 1.472 210 M HN 0.305 nan 8.290 nan 0.000 0.501 211 G N 1.272 109.936 108.800 -0.227 0.000 2.179 211 G HA2 -0.191 3.769 3.960 0.000 0.000 0.220 211 G HA3 -0.191 3.769 3.960 0.000 0.000 0.220 211 G C 0.058 174.860 174.900 -0.163 0.000 0.990 211 G CA -0.589 44.401 45.100 -0.183 0.000 0.646 211 G HN 0.431 nan 8.290 nan 0.000 0.517 212 I N 2.308 122.782 120.570 -0.160 0.000 2.405 212 I HA 0.490 4.660 4.170 0.000 0.000 0.280 212 I C 1.160 177.340 176.117 0.106 0.000 1.027 212 I CA -0.596 60.638 61.300 -0.109 0.000 1.161 212 I CB 1.294 39.218 38.000 -0.128 0.000 1.300 212 I HN 0.145 nan 8.210 nan 0.000 0.463 213 G N 4.575 113.544 108.800 0.282 0.000 2.491 213 G HA2 0.021 3.981 3.960 0.000 0.000 0.238 213 G HA3 0.021 3.981 3.960 0.000 0.000 0.238 213 G C 1.075 176.096 174.900 0.202 0.000 1.277 213 G CA -0.301 44.927 45.100 0.213 0.000 0.851 213 G HN 0.799 nan 8.290 nan 0.000 0.573 214 E N 1.245 121.525 120.200 0.134 0.000 2.478 214 E HA -0.084 4.266 4.350 0.000 0.000 0.198 214 E C 0.588 177.241 176.600 0.089 0.000 1.046 214 E CA 0.540 57.011 56.400 0.119 0.000 0.870 214 E CB -0.032 29.715 29.700 0.079 0.000 0.818 214 E HN 0.425 nan 8.360 nan 0.000 0.527 215 L N 2.613 123.896 121.223 0.099 0.000 2.581 215 L HA 0.285 4.625 4.340 0.000 0.000 0.241 215 L C -0.049 176.868 176.870 0.079 0.000 1.265 215 L CA -0.434 54.453 54.840 0.079 0.000 0.954 215 L CB 0.363 42.457 42.059 0.058 0.000 1.269 215 L HN 0.035 nan 8.230 nan 0.000 0.475 216 N N -0.686 118.087 118.700 0.121 0.000 2.214 216 N HA 0.023 4.763 4.740 0.000 0.000 0.214 216 N C 0.173 175.725 175.510 0.069 0.000 1.132 216 N CA -0.418 52.693 53.050 0.101 0.000 0.856 216 N CB 0.305 38.972 38.487 0.299 0.000 1.020 216 N HN 0.490 nan 8.380 nan 0.000 0.509 217 N N 0.022 118.768 118.700 0.077 0.000 3.343 217 N HA 0.620 5.360 4.740 0.000 0.000 0.330 217 N C -1.577 173.962 175.510 0.048 0.000 1.560 217 N CA -0.886 52.209 53.050 0.075 0.000 0.752 217 N CB 0.720 39.284 38.487 0.127 0.000 1.863 217 N HN 0.004 nan 8.380 nan 0.000 0.636 218 A N -1.400 121.461 122.820 0.068 0.000 2.354 218 A HA 0.495 4.815 4.320 0.000 0.000 0.321 218 A C -0.040 177.639 177.584 0.158 0.000 1.125 218 A CA -0.831 51.224 52.037 0.030 0.000 0.799 218 A CB 0.382 19.393 19.000 0.018 0.000 1.293 218 A HN 0.712 nan 8.150 nan 0.000 0.452 219 Y N -0.587 119.621 120.300 -0.153 0.000 2.421 219 Y HA -0.165 4.385 4.550 -0.000 0.000 0.292 219 Y C 2.247 178.174 175.900 0.046 0.000 1.136 219 Y CA 1.259 59.200 58.100 -0.266 0.000 1.255 219 Y CB 0.331 38.268 38.460 -0.873 0.000 0.991 219 Y HN 0.927 nan 8.280 nan 0.000 0.552 220 E N 0.574 120.918 120.200 0.239 0.000 2.274 220 E HA -0.183 4.167 4.350 0.000 0.000 0.194 220 E C 1.282 177.993 176.600 0.184 0.000 0.996 220 E CA 0.700 57.246 56.400 0.242 0.000 0.840 220 E CB 0.054 29.843 29.700 0.148 0.000 0.772 220 E HN 0.456 nan 8.360 nan 0.000 0.491 221 D N 0.195 120.696 120.400 0.168 0.000 2.218 221 D HA -0.147 4.493 4.640 0.000 0.000 0.204 221 D C 1.709 178.062 176.300 0.089 0.000 0.976 221 D CA 1.024 55.101 54.000 0.127 0.000 0.853 221 D CB 0.038 40.912 40.800 0.123 0.000 0.939 221 D HN 0.254 nan 8.370 nan 0.000 0.481 222 A N 0.749 123.647 122.820 0.131 0.000 2.015 222 A HA -0.183 4.137 4.320 0.000 0.000 0.219 222 A C 2.066 179.623 177.584 -0.045 0.000 1.163 222 A CA 1.043 53.057 52.037 -0.038 0.000 0.646 222 A CB -0.324 18.686 19.000 0.016 0.000 0.806 222 A HN 0.223 nan 8.150 nan 0.000 0.448 223 Q N -0.704 119.147 119.800 0.084 0.000 2.269 223 Q HA 0.137 4.477 4.340 0.000 0.000 0.201 223 Q C 1.504 177.498 176.000 -0.010 0.000 0.946 223 Q CA 0.773 56.603 55.803 0.045 0.000 0.877 223 Q CB -0.090 28.703 28.738 0.091 0.000 0.963 223 Q HN 0.654 nan 8.270 nan 0.000 0.472 224 L N 0.203 121.439 121.223 0.022 0.000 2.567 224 L HA 0.225 4.566 4.340 0.000 0.000 0.225 224 L C 0.841 177.720 176.870 0.016 0.000 1.119 224 L CA -0.599 54.269 54.840 0.047 0.000 0.871 224 L CB -0.036 42.126 42.059 0.171 0.000 1.036 224 L HN -0.006 nan 8.230 nan 0.000 0.459 225 A N 0.148 122.941 122.820 -0.045 0.000 2.445 225 A HA 0.023 4.343 4.320 0.000 0.000 0.242 225 A C 0.710 178.241 177.584 -0.088 0.000 1.075 225 A CA -0.163 51.824 52.037 -0.084 0.000 0.777 225 A CB 0.266 19.177 19.000 -0.147 0.000 1.013 225 A HN 0.139 nan 8.150 nan 0.000 0.493 226 D N 0.110 120.465 120.400 -0.076 0.000 2.162 226 D HA 0.086 4.726 4.640 0.000 0.000 0.205 226 D C 0.152 176.386 176.300 -0.110 0.000 0.964 226 D CA 1.473 55.433 54.000 -0.066 0.000 0.847 226 D CB 0.228 40.999 40.800 -0.048 0.000 0.988 226 D HN 0.242 nan 8.370 nan 0.000 0.480 227 V N 1.092 120.941 119.914 -0.109 0.000 2.841 227 V HA 0.395 4.515 4.120 0.000 0.000 0.310 227 V C -0.418 175.587 176.094 -0.149 0.000 1.090 227 V CA -0.724 61.508 62.300 -0.114 0.000 0.930 227 V CB 2.964 34.768 31.823 -0.031 0.000 1.014 227 V HN -0.105 nan 8.190 nan 0.000 0.425 228 I N 2.672 123.104 120.570 -0.231 0.000 2.436 228 I HA 0.412 4.583 4.170 0.000 0.000 0.289 228 I C -1.254 174.706 176.117 -0.261 0.000 1.010 228 I CA -0.263 60.836 61.300 -0.335 0.000 1.098 228 I CB 1.851 39.435 38.000 -0.693 0.000 1.266 228 I HN 0.560 nan 8.210 nan 0.000 0.434 229 W N 4.554 125.654 121.300 -0.333 0.000 2.469 229 W HA 0.455 5.115 4.660 0.000 0.000 0.320 229 W C 0.447 176.916 176.519 -0.083 0.000 1.086 229 W CA -0.543 56.702 57.345 -0.167 0.000 1.211 229 W CB 1.700 31.136 29.460 -0.039 0.000 1.298 229 W HN 0.265 nan 8.180 nan 0.000 0.525 230 S N 4.820 120.591 115.700 0.117 0.000 2.622 230 S HA 0.552 5.022 4.470 0.000 0.000 0.283 230 S C -0.880 173.937 174.600 0.362 0.000 1.197 230 S CA -0.526 57.817 58.200 0.237 0.000 1.146 230 S CB -0.495 62.755 63.200 0.083 0.000 1.007 230 S HN 0.354 nan 8.310 nan 0.000 0.478 231 I N 4.092 124.929 120.570 0.445 0.000 2.307 231 I HA 0.405 4.575 4.170 0.000 0.000 0.289 231 I C 1.177 177.535 176.117 0.402 0.000 1.021 231 I CA -0.363 61.228 61.300 0.485 0.000 1.224 231 I CB 0.999 39.333 38.000 0.557 0.000 1.376 231 I HN 0.884 nan 8.210 nan 0.000 0.470 232 G N 4.715 113.732 108.800 0.362 0.000 2.338 232 G HA2 -0.307 3.653 3.960 0.000 0.000 0.296 232 G HA3 -0.307 3.653 3.960 0.000 0.000 0.296 232 G C -0.256 174.791 174.900 0.244 0.000 1.040 232 G CA 0.169 45.450 45.100 0.302 0.000 1.004 232 G HN 0.842 nan 8.290 nan 0.000 0.509 233 N N -0.475 118.370 118.700 0.242 0.000 2.308 233 N HA 0.317 5.057 4.740 0.000 0.000 0.283 233 N C -1.020 174.574 175.510 0.139 0.000 1.105 233 N CA -0.705 52.447 53.050 0.171 0.000 0.840 233 N CB 1.184 39.792 38.487 0.203 0.000 1.633 233 N HN 0.160 nan 8.380 nan 0.000 0.476 234 N N 3.946 122.660 118.700 0.024 0.000 2.757 234 N HA 0.220 4.960 4.740 0.000 0.000 0.296 234 N C -1.807 173.599 175.510 -0.172 0.000 1.874 234 N CA -2.135 50.874 53.050 -0.068 0.000 0.885 234 N CB 0.826 39.254 38.487 -0.099 0.000 1.242 234 N HN 0.454 nan 8.380 nan 0.000 0.488 235 P HA -0.263 nan 4.420 nan 0.000 0.218 235 P C 1.125 178.058 177.300 -0.612 0.000 1.152 235 P CA 1.256 64.060 63.100 -0.494 0.000 0.857 235 P CB -0.043 31.191 31.700 -0.777 0.000 0.787 236 Y N 1.271 120.991 120.300 -0.966 0.000 2.293 236 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 236 Y C 2.198 177.923 175.900 -0.290 0.000 1.137 236 Y CA 1.658 59.336 58.100 -0.704 0.000 1.202 236 Y CB -0.347 37.705 38.460 -0.680 0.000 0.990 236 Y HN -0.000 nan 8.280 nan 0.000 0.537 237 E N -1.244 118.821 120.200 -0.225 0.000 2.307 237 E HA -0.036 4.315 4.350 0.000 0.000 0.195 237 E C 1.917 178.447 176.600 -0.116 0.000 0.975 237 E CA 0.905 57.211 56.400 -0.157 0.000 0.878 237 E CB 0.123 29.800 29.700 -0.038 0.000 0.845 237 E HN 0.485 nan 8.360 nan 0.000 0.488 238 S N -0.399 115.233 115.700 -0.114 0.000 2.512 238 S HA 0.114 4.584 4.470 0.000 0.000 0.216 238 S C 0.969 175.560 174.600 -0.016 0.000 1.006 238 S CA -0.238 57.942 58.200 -0.034 0.000 0.915 238 S CB 0.442 63.624 63.200 -0.029 0.000 0.824 238 S HN -0.039 nan 8.310 nan 0.000 0.497 239 Q N 0.949 120.693 119.800 -0.093 0.000 2.275 239 Q HA 0.357 4.697 4.340 0.000 0.000 0.314 239 Q C 0.569 176.510 176.000 -0.099 0.000 0.851 239 Q CA -0.023 55.752 55.803 -0.046 0.000 1.083 239 Q CB 0.408 29.121 28.738 -0.042 0.000 1.341 239 Q HN 0.273 nan 8.270 nan 0.000 0.402 240 T N 0.172 114.641 114.554 -0.142 0.000 2.527 240 T HA -0.263 4.087 4.350 0.000 0.000 0.258 240 T C 1.424 176.094 174.700 -0.050 0.000 1.175 240 T CA 2.166 64.144 62.100 -0.203 0.000 1.168 240 T CB -0.187 68.528 68.868 -0.255 0.000 0.860 240 T HN 0.406 nan 8.240 nan 0.000 0.429 241 N N 0.174 118.879 118.700 0.008 0.000 2.453 241 N HA -0.035 4.705 4.740 0.000 0.000 0.183 241 N C 1.452 177.069 175.510 0.178 0.000 1.041 241 N CA 0.455 53.551 53.050 0.078 0.000 0.900 241 N CB -0.394 38.140 38.487 0.078 0.000 0.961 241 N HN 0.478 nan 8.380 nan 0.000 0.443 242 Y N 0.532 120.788 120.300 -0.073 0.000 2.220 242 Y HA -0.062 4.487 4.550 -0.000 0.000 0.291 242 Y C 2.006 177.805 175.900 -0.168 0.000 1.129 242 Y CA 0.642 58.619 58.100 -0.204 0.000 1.161 242 Y CB -0.916 37.204 38.460 -0.566 0.000 0.997 242 Y HN -0.022 nan 8.280 nan 0.000 0.522 243 F N 0.266 119.915 119.950 -0.500 0.000 2.113 243 F HA -0.176 4.352 4.527 0.000 0.000 0.297 243 F C 1.996 177.724 175.800 -0.121 0.000 1.103 243 F CA 1.742 59.334 58.000 -0.680 0.000 1.248 243 F CB -0.501 38.154 39.000 -0.575 0.000 0.999 243 F HN 0.019 nan 8.300 nan 0.000 0.475 244 L N -0.258 120.993 121.223 0.047 0.000 2.109 244 L HA -0.147 4.193 4.340 0.000 0.000 0.207 244 L C 1.832 178.691 176.870 -0.019 0.000 1.086 244 L CA 1.496 56.339 54.840 0.005 0.000 0.760 244 L CB -0.664 41.439 42.059 0.074 0.000 0.910 244 L HN 0.161 nan 8.230 nan 0.000 0.437 245 N N -1.803 116.919 118.700 0.036 0.000 2.373 245 N HA -0.060 4.680 4.740 0.000 0.000 0.181 245 N C 1.538 176.889 175.510 -0.264 0.000 1.082 245 N CA 0.617 53.608 53.050 -0.098 0.000 0.885 245 N CB 0.328 38.751 38.487 -0.106 0.000 0.977 245 N HN 0.347 nan 8.380 nan 0.000 0.462 246 H N -3.146 116.013 119.070 0.147 0.000 2.573 246 H HA 0.082 4.638 4.556 0.000 0.000 0.236 246 H C 0.765 176.203 175.328 0.184 0.000 0.907 246 H CA 0.043 56.222 56.048 0.219 0.000 1.058 246 H CB -0.022 30.003 29.762 0.438 0.000 1.417 246 H HN 0.158 nan 8.280 nan 0.000 0.425 247 W N 2.251 123.493 121.300 -0.097 0.000 2.413 247 W HA 0.010 4.670 4.660 -0.000 0.000 0.315 247 W C 2.429 178.767 176.519 -0.302 0.000 1.186 247 W CA 0.551 57.742 57.345 -0.257 0.000 1.326 247 W CB -0.951 28.254 29.460 -0.424 0.000 1.153 247 W HN 0.013 nan 8.180 nan 0.000 0.489 248 L N -0.228 120.900 121.223 -0.159 0.000 2.046 248 L HA -0.168 4.172 4.340 0.000 0.000 0.208 248 L C -0.331 176.479 176.870 -0.100 0.000 1.077 248 L CA 1.359 56.083 54.840 -0.194 0.000 0.747 248 L CB -2.287 39.623 42.059 -0.249 0.000 0.896 248 L HN -0.087 nan 8.230 nan 0.000 0.432 249 P HA -0.143 nan 4.420 nan 0.000 0.218 249 P C 1.176 178.439 177.300 -0.063 0.000 1.148 249 P CA 1.220 64.281 63.100 -0.065 0.000 0.822 249 P CB -0.019 31.642 31.700 -0.065 0.000 0.784 250 N N -0.386 118.278 118.700 -0.060 0.000 2.106 250 N HA -0.096 4.644 4.740 0.000 0.000 0.188 250 N C 1.611 177.069 175.510 -0.086 0.000 1.029 250 N CA 1.277 54.282 53.050 -0.076 0.000 0.848 250 N CB -0.912 37.520 38.487 -0.093 0.000 1.007 250 N HN 0.056 nan 8.380 nan 0.000 0.423 251 L N 0.388 121.559 121.223 -0.088 0.000 2.131 251 L HA -0.115 4.225 4.340 0.000 0.000 0.210 251 L C 1.958 178.785 176.870 -0.071 0.000 1.092 251 L CA 1.019 55.809 54.840 -0.083 0.000 0.759 251 L CB -0.384 41.634 42.059 -0.069 0.000 0.903 251 L HN 0.276 nan 8.230 nan 0.000 0.435 252 Q N -0.295 119.465 119.800 -0.067 0.000 2.482 252 Q HA 0.039 4.379 4.340 0.000 0.000 0.209 252 Q C 1.458 177.425 176.000 -0.055 0.000 0.961 252 Q CA 0.590 56.359 55.803 -0.058 0.000 0.945 252 Q CB 0.252 28.958 28.738 -0.054 0.000 1.012 252 Q HN 0.614 nan 8.270 nan 0.000 0.515 253 G N 0.218 108.982 108.800 -0.060 0.000 2.157 253 G HA2 -0.350 3.610 3.960 0.000 0.000 0.248 253 G HA3 -0.350 3.610 3.960 0.000 0.000 0.248 253 G C 0.747 175.614 174.900 -0.055 0.000 0.979 253 G CA 0.209 45.276 45.100 -0.055 0.000 0.650 253 G HN 0.469 nan 8.290 nan 0.000 0.529 254 A N 0.058 122.843 122.820 -0.058 0.000 2.235 254 A HA 0.461 4.781 4.320 0.000 0.000 0.208 254 A C 2.159 179.703 177.584 -0.066 0.000 1.172 254 A CA 2.332 54.335 52.037 -0.057 0.000 0.786 254 A CB -0.349 18.618 19.000 -0.055 0.000 0.804 254 A HN 1.486 nan 8.150 nan 0.000 0.479 255 T N -5.557 108.950 114.554 -0.077 0.000 3.085 255 T HA 0.074 4.424 4.350 0.000 0.000 0.264 255 T C 1.302 175.921 174.700 -0.135 0.000 1.019 255 T CA 0.836 62.881 62.100 -0.092 0.000 0.910 255 T CB -0.232 68.588 68.868 -0.079 0.000 1.059 255 T HN 0.130 nan 8.240 nan 0.000 0.542 256 T N 2.784 117.264 114.554 -0.124 0.000 2.759 256 T HA -0.155 4.195 4.350 0.000 0.000 0.269 256 T C 2.352 176.949 174.700 -0.170 0.000 1.042 256 T CA 1.891 63.896 62.100 -0.157 0.000 1.140 256 T CB -0.517 68.314 68.868 -0.061 0.000 0.864 256 T HN 0.744 nan 8.240 nan 0.000 0.455 257 S N 1.772 117.405 115.700 -0.112 0.000 2.402 257 S HA -0.081 4.389 4.470 0.000 0.000 0.229 257 S C 1.901 176.417 174.600 -0.140 0.000 1.021 257 S CA 0.747 58.891 58.200 -0.094 0.000 0.974 257 S CB -0.313 62.848 63.200 -0.065 0.000 0.800 257 S HN 0.514 nan 8.310 nan 0.000 0.484 258 K N 1.440 121.741 120.400 -0.166 0.000 2.057 258 K HA 0.012 4.332 4.320 0.000 0.000 0.206 258 K C 2.341 178.748 176.600 -0.321 0.000 1.050 258 K CA 1.293 57.461 56.287 -0.198 0.000 0.935 258 K CB -0.175 32.233 32.500 -0.155 0.000 0.715 258 K HN 0.387 nan 8.250 nan 0.000 0.439 259 K N 1.357 121.514 120.400 -0.405 0.000 2.026 259 K HA -0.142 4.178 4.320 0.000 0.000 0.208 259 K C 2.053 178.318 176.600 -0.558 0.000 1.048 259 K CA 1.469 57.365 56.287 -0.653 0.000 0.929 259 K CB -0.048 31.727 32.500 -1.208 0.000 0.713 259 K HN 0.080 nan 8.250 nan 0.000 0.439 260 K N 0.899 121.103 120.400 -0.327 0.000 2.063 260 K HA -0.222 4.098 4.320 0.000 0.000 0.208 260 K C 2.223 178.828 176.600 0.009 0.000 1.048 260 K CA 1.546 57.898 56.287 0.108 0.000 0.928 260 K CB -0.065 32.502 32.500 0.112 0.000 0.713 260 K HN 0.255 nan 8.250 nan 0.000 0.442 261 E N 0.998 121.127 120.200 -0.118 0.000 2.072 261 E HA -0.178 4.172 4.350 0.000 0.000 0.191 261 E C 2.039 178.519 176.600 -0.200 0.000 0.985 261 E CA 1.035 57.359 56.400 -0.127 0.000 0.801 261 E CB 0.199 29.817 29.700 -0.136 0.000 0.750 261 E HN 0.197 nan 8.360 nan 0.000 0.452 262 R N -0.896 119.350 120.500 -0.423 0.000 2.093 262 R HA 0.019 4.359 4.340 0.000 0.000 0.224 262 R C -0.059 175.907 176.300 -0.556 0.000 1.101 262 R CA 0.546 56.241 56.100 -0.675 0.000 0.979 262 R CB 0.196 29.716 30.300 -1.300 0.000 0.877 262 R HN 0.047 nan 8.270 nan 0.000 0.441 263 F N 1.262 121.285 119.950 0.121 0.000 2.434 263 F HA 0.410 4.937 4.527 0.000 0.000 0.355 263 F C -2.297 173.624 175.800 0.201 0.000 1.115 263 F CA -3.765 54.347 58.000 0.187 0.000 1.010 263 F CB 1.024 40.201 39.000 0.295 0.000 1.234 263 F HN -0.222 nan 8.300 nan 0.000 0.439 264 P HA 0.226 nan 4.420 nan 0.000 0.279 264 P C -0.076 177.268 177.300 0.073 0.000 1.252 264 P CA -0.493 62.684 63.100 0.129 0.000 0.811 264 P CB 0.691 32.439 31.700 0.080 0.000 1.035 265 N N 0.093 118.800 118.700 0.011 0.000 2.714 265 N HA -0.241 4.499 4.740 0.000 0.000 0.253 265 N C -0.953 174.501 175.510 -0.092 0.000 1.024 265 N CA 1.094 54.122 53.050 -0.037 0.000 0.726 265 N CB -1.193 37.288 38.487 -0.011 0.000 0.908 265 N HN 0.677 nan 8.380 nan 0.000 0.542 266 E N 0.166 120.241 120.200 -0.208 0.000 2.321 266 E HA 0.325 4.675 4.350 0.000 0.000 0.281 266 E C -1.198 174.928 176.600 -0.790 0.000 0.910 266 E CA -0.750 55.428 56.400 -0.371 0.000 0.770 266 E CB 0.681 30.236 29.700 -0.241 0.000 1.225 266 E HN 0.393 nan 8.360 nan 0.000 0.417 267 N N 2.072 120.428 118.700 -0.573 0.000 2.525 267 N HA 0.302 5.042 4.740 0.000 0.000 0.271 267 N C -1.335 173.779 175.510 -0.660 0.000 1.194 267 N CA 0.213 52.931 53.050 -0.554 0.000 0.964 267 N CB 0.456 38.787 38.487 -0.260 0.000 1.126 267 N HN 0.227 nan 8.380 nan 0.000 0.452 268 F N 1.774 121.705 119.950 -0.032 0.000 2.552 268 F HA 0.360 4.887 4.527 -0.000 0.000 0.369 268 F C -1.776 173.984 175.800 -0.067 0.000 1.112 268 F CA -2.189 55.787 58.000 -0.040 0.000 1.129 268 F CB 0.340 39.335 39.000 -0.008 0.000 1.360 268 F HN 0.273 nan 8.300 nan 0.000 0.473 269 P HA 0.101 nan 4.420 nan 0.000 0.272 269 P C -0.531 176.739 177.300 -0.050 0.000 1.240 269 P CA -0.412 62.661 63.100 -0.044 0.000 0.791 269 P CB 0.949 32.583 31.700 -0.110 0.000 0.978 270 Q N -0.064 119.680 119.800 -0.094 0.000 2.349 270 Q HA 0.271 4.611 4.340 0.000 0.000 0.287 270 Q C 0.354 176.261 176.000 -0.156 0.000 1.044 270 Q CA -0.140 55.599 55.803 -0.107 0.000 0.918 270 Q CB 0.253 28.916 28.738 -0.124 0.000 1.242 270 Q HN 0.557 nan 8.270 nan 0.000 0.405 271 A N 3.676 126.415 122.820 -0.134 0.000 2.498 271 A HA 0.231 4.551 4.320 0.000 0.000 0.239 271 A C -0.114 177.346 177.584 -0.206 0.000 1.068 271 A CA 0.250 52.192 52.037 -0.158 0.000 0.766 271 A CB 0.402 19.321 19.000 -0.135 0.000 1.003 271 A HN 0.713 nan 8.150 nan 0.000 0.497 272 R N 0.402 120.761 120.500 -0.234 0.000 2.807 272 R HA 0.722 5.062 4.340 0.000 0.000 0.276 272 R C -1.243 174.972 176.300 -0.142 0.000 0.979 272 R CA -0.645 55.304 56.100 -0.252 0.000 0.928 272 R CB 2.251 32.215 30.300 -0.560 0.000 1.191 272 R HN 0.739 nan 8.270 nan 0.000 0.471 273 I N 2.433 122.970 120.570 -0.054 0.000 2.582 273 I HA 0.483 4.653 4.170 0.000 0.000 0.292 273 I C -1.340 174.696 176.117 -0.136 0.000 1.066 273 I CA -0.869 60.346 61.300 -0.142 0.000 1.053 273 I CB 1.650 39.588 38.000 -0.102 0.000 1.241 273 I HN 0.527 nan 8.210 nan 0.000 0.421 274 I N 7.232 127.544 120.570 -0.431 0.000 2.418 274 I HA 0.357 4.527 4.170 0.000 0.000 0.287 274 I C -1.284 174.570 176.117 -0.438 0.000 1.008 274 I CA -0.453 60.540 61.300 -0.512 0.000 1.104 274 I CB 1.629 38.906 38.000 -1.204 0.000 1.264 274 I HN 0.360 nan 8.210 nan 0.000 0.438 275 F N 5.460 125.373 119.950 -0.061 0.000 2.427 275 F HA 0.440 4.967 4.527 -0.000 0.000 0.346 275 F C 0.121 176.017 175.800 0.160 0.000 1.120 275 F CA -0.865 57.179 58.000 0.073 0.000 1.033 275 F CB 1.767 40.764 39.000 -0.004 0.000 1.126 275 F HN 0.008 nan 8.300 nan 0.000 0.462 276 V N 3.275 123.441 119.914 0.421 0.000 2.277 276 V HA 0.352 4.472 4.120 0.000 0.000 0.269 276 V C -0.891 175.420 176.094 0.361 0.000 1.036 276 V CA -0.248 62.276 62.300 0.373 0.000 0.821 276 V CB 0.691 32.773 31.823 0.431 0.000 1.052 276 V HN 0.672 nan 8.190 nan 0.000 0.462 277 D N 5.550 126.167 120.400 0.361 0.000 2.931 277 D HA 0.345 4.985 4.640 0.000 0.000 0.215 277 D C -2.334 174.185 176.300 0.366 0.000 1.297 277 D CA -1.434 52.766 54.000 0.333 0.000 0.892 277 D CB 3.460 44.412 40.800 0.253 0.000 1.642 277 D HN 0.056 nan 8.370 nan 0.000 0.560 278 P HA -0.067 nan 4.420 nan 0.000 0.219 278 P C 0.087 177.568 177.300 0.301 0.000 1.146 278 P CA 0.825 64.056 63.100 0.218 0.000 0.808 278 P CB 0.318 32.092 31.700 0.122 0.000 0.779 279 R N 0.638 121.345 120.500 0.346 0.000 2.474 279 R HA 0.224 4.564 4.340 0.000 0.000 0.295 279 R C -0.220 176.184 176.300 0.173 0.000 0.980 279 R CA -0.608 55.641 56.100 0.249 0.000 0.934 279 R CB 0.752 31.144 30.300 0.154 0.000 1.101 279 R HN -0.099 nan 8.270 nan 0.000 0.469 280 E N 3.172 123.466 120.200 0.157 0.000 2.052 280 E HA 0.077 4.427 4.350 0.000 0.000 0.283 280 E C -0.710 175.794 176.600 -0.161 0.000 1.071 280 E CA -0.347 56.065 56.400 0.020 0.000 0.851 280 E CB 0.757 30.527 29.700 0.117 0.000 1.066 280 E HN 0.684 nan 8.360 nan 0.000 0.396 281 T N 1.179 115.544 114.554 -0.314 0.000 2.910 281 T HA 0.358 4.708 4.350 0.000 0.000 0.279 281 T C -1.960 172.558 174.700 -0.303 0.000 0.989 281 T CA -1.842 60.069 62.100 -0.314 0.000 0.968 281 T CB 1.379 70.045 68.868 -0.336 0.000 1.135 281 T HN 0.146 nan 8.240 nan 0.000 0.562 282 P HA -0.005 nan 4.420 nan 0.000 0.218 282 P C 1.678 178.798 177.300 -0.300 0.000 1.149 282 P CA 0.880 63.841 63.100 -0.231 0.000 0.817 282 P CB -0.068 31.536 31.700 -0.159 0.000 0.785 283 S N -0.969 114.527 115.700 -0.340 0.000 2.383 283 S HA -0.098 4.372 4.470 0.000 0.000 0.227 283 S C 1.951 176.294 174.600 -0.429 0.000 1.026 283 S CA 1.070 59.039 58.200 -0.385 0.000 0.981 283 S CB -1.082 61.894 63.200 -0.374 0.000 0.818 283 S HN -0.026 nan 8.310 nan 0.000 0.472 284 V N 2.027 121.489 119.914 -0.754 0.000 2.295 284 V HA -0.189 3.931 4.120 0.000 0.000 0.246 284 V C 2.673 178.606 176.094 -0.267 0.000 1.049 284 V CA 1.718 63.533 62.300 -0.807 0.000 1.024 284 V CB -1.231 30.108 31.823 -0.808 0.000 0.648 284 V HN 0.533 nan 8.190 nan 0.000 0.447 285 A N -0.184 122.516 122.820 -0.200 0.000 1.908 285 A HA -0.204 4.116 4.320 0.000 0.000 0.218 285 A C 2.188 179.795 177.584 0.038 0.000 1.181 285 A CA 2.109 54.110 52.037 -0.059 0.000 0.627 285 A CB -0.578 18.381 19.000 -0.069 0.000 0.818 285 A HN 0.515 nan 8.150 nan 0.000 0.445 286 I N -0.519 120.049 120.570 -0.003 0.000 2.353 286 I HA -0.219 3.951 4.170 0.000 0.000 0.248 286 I C 2.931 179.176 176.117 0.214 0.000 1.119 286 I CA 0.861 62.205 61.300 0.073 0.000 1.417 286 I CB -0.263 37.679 38.000 -0.098 0.000 1.078 286 I HN 0.357 nan 8.210 nan 0.000 0.421 287 A N 0.825 123.812 122.820 0.278 0.000 1.933 287 A HA -0.211 4.109 4.320 0.000 0.000 0.218 287 A C 2.371 180.084 177.584 0.216 0.000 1.175 287 A CA 1.532 53.772 52.037 0.338 0.000 0.628 287 A CB -0.517 18.823 19.000 0.566 0.000 0.814 287 A HN 0.316 nan 8.150 nan 0.000 0.444 288 R N -2.018 118.586 120.500 0.174 0.000 2.090 288 R HA -0.099 4.241 4.340 0.000 0.000 0.228 288 R C 2.219 178.599 176.300 0.134 0.000 1.110 288 R CA 1.403 57.585 56.100 0.137 0.000 0.973 288 R CB -0.437 29.929 30.300 0.110 0.000 0.869 288 R HN 0.790 nan 8.270 nan 0.000 0.440 289 H N 0.112 119.234 119.070 0.086 0.000 2.387 289 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 289 H C 1.648 177.020 175.328 0.073 0.000 1.090 289 H CA 1.578 57.685 56.048 0.099 0.000 1.332 289 H CB 0.207 30.074 29.762 0.175 0.000 1.386 289 H HN -0.071 nan 8.280 nan 0.000 0.516 290 V N -0.392 119.565 119.914 0.073 0.000 2.426 290 V HA 0.029 4.149 4.120 0.000 0.000 0.242 290 V C 2.352 178.428 176.094 -0.029 0.000 1.036 290 V CA 1.409 63.707 62.300 -0.003 0.000 1.044 290 V CB -0.506 31.338 31.823 0.035 0.000 0.688 290 V HN 0.602 nan 8.190 nan 0.000 0.462 291 A N -0.974 121.850 122.820 0.008 0.000 2.267 291 A HA 0.549 4.869 4.320 0.000 0.000 0.213 291 A C 1.204 178.780 177.584 -0.014 0.000 1.192 291 A CA 0.796 52.825 52.037 -0.014 0.000 0.851 291 A CB -0.274 18.723 19.000 -0.005 0.000 0.881 291 A HN 1.210 nan 8.150 nan 0.000 0.494 292 G N -0.326 108.475 108.800 0.002 0.000 2.721 292 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 292 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 292 G C 0.078 175.007 174.900 0.048 0.000 1.236 292 G CA -0.181 44.924 45.100 0.008 0.000 0.786 292 G HN 0.163 nan 8.290 nan 0.000 0.616 293 N N 0.644 119.380 118.700 0.060 0.000 2.137 293 N HA -0.099 4.641 4.740 0.000 0.000 0.190 293 N C 1.588 177.171 175.510 0.121 0.000 1.017 293 N CA 1.741 54.846 53.050 0.091 0.000 0.859 293 N CB -0.189 38.344 38.487 0.077 0.000 1.002 293 N HN 0.656 nan 8.380 nan 0.000 0.428 294 D N 0.177 120.633 120.400 0.093 0.000 2.351 294 D HA -0.070 4.570 4.640 0.000 0.000 0.216 294 D C 1.131 177.507 176.300 0.127 0.000 0.968 294 D CA 0.687 54.761 54.000 0.122 0.000 0.899 294 D CB -0.019 40.818 40.800 0.062 0.000 0.907 294 D HN 0.320 nan 8.370 nan 0.000 0.514 295 R N -0.385 120.149 120.500 0.057 0.000 2.472 295 R HA 0.237 4.577 4.340 0.000 0.000 0.279 295 R C -0.500 175.863 176.300 0.105 0.000 0.953 295 R CA -0.054 55.989 56.100 -0.095 0.000 1.088 295 R CB 1.393 31.597 30.300 -0.160 0.000 1.197 295 R HN -0.073 nan 8.270 nan 0.000 0.536 296 V N 1.635 121.721 119.914 0.287 0.000 2.540 296 V HA 0.387 4.507 4.120 0.000 0.000 0.302 296 V C -0.525 175.767 176.094 0.331 0.000 1.035 296 V CA -0.743 61.752 62.300 0.325 0.000 0.873 296 V CB 2.446 34.431 31.823 0.271 0.000 0.992 296 V HN 0.121 nan 8.190 nan 0.000 0.428 297 L N 4.326 125.699 121.223 0.249 0.000 2.342 297 L HA 0.492 4.832 4.340 0.000 0.000 0.276 297 L C -0.292 176.666 176.870 0.148 0.000 0.997 297 L CA -0.385 54.479 54.840 0.039 0.000 0.838 297 L CB 1.196 43.065 42.059 -0.316 0.000 1.224 297 L HN 0.742 nan 8.230 nan 0.000 0.416 298 H N 5.674 124.776 119.070 0.053 0.000 2.685 298 H HA 0.344 4.900 4.556 -0.000 0.000 0.286 298 H C -0.697 174.642 175.328 0.019 0.000 1.102 298 H CA -0.903 55.194 56.048 0.081 0.000 1.254 298 H CB 0.746 30.533 29.762 0.041 0.000 1.397 298 H HN 0.503 nan 8.280 nan 0.000 0.473 299 L N 5.559 126.883 121.223 0.168 0.000 2.404 299 L HA 0.222 4.562 4.340 0.000 0.000 0.277 299 L C 0.716 177.580 176.870 -0.009 0.000 1.184 299 L CA -0.510 54.333 54.840 0.004 0.000 1.013 299 L CB 0.457 42.526 42.059 0.016 0.000 1.318 299 L HN 0.655 nan 8.230 nan 0.000 0.435 300 A N 5.477 128.123 122.820 -0.291 0.000 3.026 300 A HA 0.319 4.639 4.320 0.000 0.000 0.272 300 A C 0.685 178.209 177.584 -0.100 0.000 1.782 300 A CA -0.513 51.358 52.037 -0.277 0.000 1.451 300 A CB -0.879 17.816 19.000 -0.508 0.000 1.081 300 A HN 0.752 nan 8.150 nan 0.000 0.611 301 I N -1.948 118.604 120.570 -0.029 0.000 3.112 301 I HA 0.346 4.516 4.170 0.000 0.000 0.284 301 I C 0.514 176.593 176.117 -0.064 0.000 1.227 301 I CA -0.700 60.570 61.300 -0.051 0.000 1.369 301 I CB 0.464 38.437 38.000 -0.045 0.000 1.376 301 I HN 0.418 nan 8.210 nan 0.000 0.608 302 E N 4.151 124.304 120.200 -0.078 0.000 2.373 302 E HA 0.315 4.665 4.350 0.000 0.000 0.267 302 E C -2.425 174.107 176.600 -0.113 0.000 1.032 302 E CA -2.039 54.308 56.400 -0.089 0.000 0.889 302 E CB 0.453 30.130 29.700 -0.040 0.000 0.984 302 E HN 0.386 nan 8.360 nan 0.000 0.425 303 P HA 0.044 nan 4.420 nan 0.000 0.261 303 P C 0.174 177.523 177.300 0.082 0.000 1.173 303 P CA 1.515 64.415 63.100 -0.333 0.000 0.760 303 P CB 0.529 31.597 31.700 -1.053 0.000 0.783 304 G N 2.549 111.477 108.800 0.212 0.000 2.155 304 G HA2 -0.276 3.684 3.960 0.000 0.000 0.257 304 G HA3 -0.276 3.684 3.960 0.000 0.000 0.257 304 G C 0.634 175.691 174.900 0.261 0.000 0.983 304 G CA 0.599 45.875 45.100 0.293 0.000 0.676 304 G HN 0.629 nan 8.290 nan 0.000 0.528 305 T N -2.602 112.008 114.554 0.094 0.000 3.186 305 T HA 0.300 4.650 4.350 0.000 0.000 0.257 305 T C 1.337 175.878 174.700 -0.264 0.000 1.029 305 T CA 0.693 62.693 62.100 -0.166 0.000 0.916 305 T CB 0.259 68.995 68.868 -0.220 0.000 1.041 305 T HN 0.267 nan 8.240 nan 0.000 0.562 306 D N 2.350 122.715 120.400 -0.058 0.000 2.116 306 D HA -0.138 4.502 4.640 0.000 0.000 0.193 306 D C 1.795 178.071 176.300 -0.041 0.000 0.998 306 D CA 1.710 55.688 54.000 -0.037 0.000 0.836 306 D CB -0.229 40.702 40.800 0.219 0.000 0.951 306 D HN 0.410 nan 8.370 nan 0.000 0.449 307 T N 1.085 115.666 114.554 0.045 0.000 2.759 307 T HA -0.141 4.209 4.350 0.000 0.000 0.269 307 T C 2.062 176.692 174.700 -0.117 0.000 1.042 307 T CA 1.387 63.543 62.100 0.093 0.000 1.140 307 T CB -0.191 68.826 68.868 0.249 0.000 0.864 307 T HN 0.221 nan 8.240 nan 0.000 0.455 308 A N 1.105 123.616 122.820 -0.514 0.000 1.898 308 A HA 0.035 4.355 4.320 0.000 0.000 0.216 308 A C 2.214 179.584 177.584 -0.358 0.000 1.181 308 A CA 1.163 52.825 52.037 -0.624 0.000 0.620 308 A CB -0.752 17.567 19.000 -1.136 0.000 0.819 308 A HN 0.408 nan 8.150 nan 0.000 0.442 309 L N -1.047 119.939 121.223 -0.394 0.000 1.970 309 L HA -0.128 4.212 4.340 0.000 0.000 0.212 309 L C 2.196 178.878 176.870 -0.313 0.000 1.071 309 L CA 2.219 56.822 54.840 -0.396 0.000 0.751 309 L CB -0.899 40.807 42.059 -0.589 0.000 0.889 309 L HN 0.343 nan 8.230 nan 0.000 0.432 310 F N 0.091 120.035 119.950 -0.011 0.000 2.216 310 F HA -0.153 4.373 4.527 -0.001 0.000 0.300 310 F C 2.377 178.203 175.800 0.044 0.000 1.085 310 F CA 1.165 59.165 58.000 -0.000 0.000 1.326 310 F CB -1.221 37.744 39.000 -0.059 0.000 1.027 310 F HN 0.239 nan 8.300 nan 0.000 0.497 311 N N 0.285 119.079 118.700 0.157 0.000 2.166 311 N HA -0.102 4.638 4.740 0.000 0.000 0.186 311 N C 2.286 177.897 175.510 0.168 0.000 1.019 311 N CA 1.321 54.476 53.050 0.176 0.000 0.856 311 N CB -1.010 37.537 38.487 0.100 0.000 0.993 311 N HN 0.348 nan 8.380 nan 0.000 0.426 312 G N 0.964 109.802 108.800 0.062 0.000 2.402 312 G HA2 -0.133 3.827 3.960 0.000 0.000 0.216 312 G HA3 -0.133 3.827 3.960 0.000 0.000 0.216 312 G C 1.669 176.637 174.900 0.113 0.000 1.162 312 G CA 0.339 45.464 45.100 0.041 0.000 0.777 312 G HN 0.223 nan 8.290 nan 0.000 0.539 313 L N -0.741 120.575 121.223 0.155 0.000 2.027 313 L HA 0.035 4.375 4.340 0.000 0.000 0.206 313 L C 2.551 179.571 176.870 0.249 0.000 1.074 313 L CA 1.075 56.063 54.840 0.247 0.000 0.745 313 L CB -0.491 41.744 42.059 0.293 0.000 0.898 313 L HN 0.274 nan 8.230 nan 0.000 0.433 314 F N 0.777 120.773 119.950 0.077 0.000 2.095 314 F HA -0.290 4.237 4.527 -0.001 0.000 0.298 314 F C 2.480 178.302 175.800 0.037 0.000 1.104 314 F CA 2.065 60.087 58.000 0.038 0.000 1.232 314 F CB -0.167 38.861 39.000 0.046 0.000 0.987 314 F HN -0.040 nan 8.300 nan 0.000 0.475 315 T N -0.471 114.050 114.554 -0.054 0.000 2.746 315 T HA -0.273 4.077 4.350 0.000 0.000 0.267 315 T C 1.526 176.148 174.700 -0.130 0.000 1.039 315 T CA 1.795 63.786 62.100 -0.181 0.000 1.142 315 T CB -0.780 68.071 68.868 -0.029 0.000 0.866 315 T HN 0.525 nan 8.240 nan 0.000 0.444 316 Y N 2.122 122.340 120.300 -0.136 0.000 2.145 316 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 316 Y C 2.502 178.278 175.900 -0.207 0.000 1.145 316 Y CA 1.336 59.349 58.100 -0.145 0.000 1.148 316 Y CB -0.288 38.139 38.460 -0.055 0.000 0.981 316 Y HN 0.098 nan 8.280 nan 0.000 0.507 317 V N -2.658 117.182 119.914 -0.123 0.000 2.490 317 V HA -0.210 3.910 4.120 0.000 0.000 0.250 317 V C 1.938 177.874 176.094 -0.263 0.000 1.061 317 V CA 1.698 63.898 62.300 -0.166 0.000 1.064 317 V CB -1.400 30.429 31.823 0.011 0.000 0.670 317 V HN 0.289 nan 8.190 nan 0.000 0.461 318 V N 0.741 120.478 119.914 -0.294 0.000 2.307 318 V HA -0.209 3.911 4.120 0.000 0.000 0.245 318 V C 2.767 178.700 176.094 -0.270 0.000 1.045 318 V CA 2.442 64.588 62.300 -0.258 0.000 1.024 318 V CB -0.757 30.827 31.823 -0.398 0.000 0.651 318 V HN 0.583 nan 8.190 nan 0.000 0.449 319 E N -0.349 119.653 120.200 -0.330 0.000 2.110 319 E HA -0.229 4.121 4.350 0.000 0.000 0.193 319 E C 2.288 178.630 176.600 -0.430 0.000 0.988 319 E CA 1.095 57.305 56.400 -0.317 0.000 0.804 319 E CB -0.119 29.418 29.700 -0.272 0.000 0.745 319 E HN 0.526 nan 8.360 nan 0.000 0.458 320 Q N -0.857 118.510 119.800 -0.721 0.000 2.378 320 Q HA -0.015 4.325 4.340 0.000 0.000 0.205 320 Q C 1.399 177.013 176.000 -0.643 0.000 0.954 320 Q CA 1.019 56.234 55.803 -0.980 0.000 0.901 320 Q CB 0.698 28.172 28.738 -2.106 0.000 0.981 320 Q HN 0.465 nan 8.270 nan 0.000 0.483 321 G N -0.091 108.496 108.800 -0.354 0.000 2.159 321 G HA2 -0.174 3.786 3.960 0.000 0.000 0.256 321 G HA3 -0.174 3.786 3.960 0.000 0.000 0.256 321 G C -0.318 174.663 174.900 0.135 0.000 0.977 321 G CA 0.073 45.123 45.100 -0.084 0.000 0.652 321 G HN 0.257 nan 8.290 nan 0.000 0.531 322 W N 1.496 122.779 121.300 -0.029 0.000 1.564 322 W HA 0.599 5.259 4.660 0.001 0.000 0.448 322 W C 0.986 177.535 176.519 0.051 0.000 0.601 322 W CA -0.796 56.571 57.345 0.037 0.000 2.326 322 W CB -1.428 28.084 29.460 0.087 0.000 1.355 322 W HN 0.512 nan 8.180 nan 0.000 0.382 323 I N -2.287 118.413 120.570 0.217 0.000 3.042 323 I HA 0.484 4.654 4.170 0.000 0.000 0.310 323 I C -0.336 175.859 176.117 0.129 0.000 1.117 323 I CA -1.111 60.276 61.300 0.145 0.000 1.003 323 I CB 2.421 40.453 38.000 0.054 0.000 1.228 323 I HN -0.343 nan 8.210 nan 0.000 0.443 324 D N 2.853 123.341 120.400 0.147 0.000 2.479 324 D HA 0.227 4.867 4.640 0.000 0.000 0.218 324 D C 0.607 176.983 176.300 0.126 0.000 1.131 324 D CA -0.160 53.944 54.000 0.173 0.000 0.916 324 D CB 1.020 41.974 40.800 0.257 0.000 1.022 324 D HN 0.561 nan 8.370 nan 0.000 0.515 325 K N 2.473 122.902 120.400 0.049 0.000 2.057 325 K HA -0.102 4.218 4.320 0.000 0.000 0.207 325 K C -0.900 175.701 176.600 0.000 0.000 1.049 325 K CA 1.147 57.418 56.287 -0.027 0.000 0.931 325 K CB -0.518 31.968 32.500 -0.023 0.000 0.714 325 K HN 0.339 nan 8.250 nan 0.000 0.440 326 P HA -0.160 nan 4.420 nan 0.000 0.217 326 P C 1.124 178.469 177.300 0.076 0.000 1.150 326 P CA 0.953 64.090 63.100 0.062 0.000 0.832 326 P CB 0.025 31.786 31.700 0.102 0.000 0.787 327 F N 0.023 119.973 119.950 -0.000 0.000 2.113 327 F HA -0.104 4.423 4.527 0.000 0.000 0.297 327 F C 1.980 177.763 175.800 -0.029 0.000 1.103 327 F CA 1.303 59.302 58.000 -0.001 0.000 1.248 327 F CB -0.802 38.096 39.000 -0.170 0.000 0.999 327 F HN -0.247 nan 8.300 nan 0.000 0.475 328 I N 0.112 120.608 120.570 -0.123 0.000 2.226 328 I HA -0.247 3.923 4.170 0.000 0.000 0.245 328 I C 2.454 178.442 176.117 -0.215 0.000 1.100 328 I CA 1.262 62.434 61.300 -0.213 0.000 1.374 328 I CB -0.486 37.326 38.000 -0.313 0.000 1.057 328 I HN 0.145 nan 8.210 nan 0.000 0.413 329 E N 0.784 120.878 120.200 -0.177 0.000 2.051 329 E HA -0.173 4.177 4.350 0.000 0.000 0.192 329 E C 2.198 178.677 176.600 -0.201 0.000 0.991 329 E CA 1.665 57.978 56.400 -0.145 0.000 0.799 329 E CB -0.049 29.592 29.700 -0.099 0.000 0.748 329 E HN 0.494 nan 8.360 nan 0.000 0.449 330 A N -0.141 122.482 122.820 -0.328 0.000 2.044 330 A HA -0.023 4.297 4.320 0.000 0.000 0.213 330 A C 1.230 178.379 177.584 -0.724 0.000 1.169 330 A CA 0.484 52.205 52.037 -0.527 0.000 0.724 330 A CB -0.055 18.551 19.000 -0.656 0.000 0.840 330 A HN 0.174 nan 8.150 nan 0.000 0.463 331 H N -0.163 118.722 119.070 -0.309 0.000 2.662 331 H HA 0.205 4.761 4.556 -0.000 0.000 0.268 331 H C -0.056 175.061 175.328 -0.351 0.000 1.152 331 H CA 0.850 56.709 56.048 -0.314 0.000 1.072 331 H CB 0.083 29.598 29.762 -0.411 0.000 1.660 331 H HN 0.533 nan 8.280 nan 0.000 0.584 332 T N -1.878 112.552 114.554 -0.207 0.000 2.865 332 T HA 0.587 4.937 4.350 0.000 0.000 0.294 332 T C -0.722 174.011 174.700 0.055 0.000 1.119 332 T CA -1.004 61.043 62.100 -0.089 0.000 1.007 332 T CB 3.694 72.557 68.868 -0.007 0.000 1.225 332 T HN 0.134 nan 8.240 nan 0.000 0.515 333 K N -0.453 120.032 120.400 0.141 0.000 2.501 333 K HA 0.548 4.868 4.320 0.000 0.000 0.252 333 K C 0.461 177.169 176.600 0.181 0.000 0.934 333 K CA -0.097 56.234 56.287 0.075 0.000 0.797 333 K CB 1.229 33.654 32.500 -0.124 0.000 1.270 333 K HN 1.456 nan 8.250 nan 0.000 0.431 334 G N 3.333 112.209 108.800 0.126 0.000 2.131 334 G HA2 -0.278 3.682 3.960 0.000 0.000 0.223 334 G HA3 -0.278 3.682 3.960 0.000 0.000 0.223 334 G C 0.135 175.053 174.900 0.030 0.000 0.990 334 G CA 0.302 45.465 45.100 0.105 0.000 0.671 334 G HN 0.628 nan 8.290 nan 0.000 0.521 335 F N 1.543 121.332 119.950 -0.269 0.000 2.113 335 F HA 0.058 4.586 4.527 0.001 0.000 0.297 335 F C 2.073 177.662 175.800 -0.352 0.000 1.103 335 F CA 2.169 59.724 58.000 -0.741 0.000 1.248 335 F CB -0.001 38.610 39.000 -0.649 0.000 0.999 335 F HN 0.148 nan 8.300 nan 0.000 0.475 336 D N 0.349 120.547 120.400 -0.336 0.000 2.144 336 D HA -0.171 4.469 4.640 0.000 0.000 0.199 336 D C 1.788 177.912 176.300 -0.293 0.000 0.984 336 D CA 1.537 55.315 54.000 -0.370 0.000 0.834 336 D CB -0.481 40.235 40.800 -0.140 0.000 0.955 336 D HN 0.344 nan 8.370 nan 0.000 0.465 337 D N 0.626 120.915 120.400 -0.185 0.000 2.117 337 D HA -0.073 4.567 4.640 0.000 0.000 0.197 337 D C 2.045 178.275 176.300 -0.116 0.000 0.987 337 D CA 1.229 55.160 54.000 -0.115 0.000 0.829 337 D CB -0.322 40.443 40.800 -0.058 0.000 0.961 337 D HN 0.130 nan 8.370 nan 0.000 0.460 338 A N 0.420 123.153 122.820 -0.146 0.000 1.969 338 A HA -0.104 4.216 4.320 0.000 0.000 0.218 338 A C 2.447 180.047 177.584 0.026 0.000 1.169 338 A CA 0.907 52.906 52.037 -0.062 0.000 0.635 338 A CB -0.586 18.365 19.000 -0.081 0.000 0.810 338 A HN 0.142 nan 8.150 nan 0.000 0.445 339 V N 0.078 119.867 119.914 -0.209 0.000 2.343 339 V HA -0.276 3.844 4.120 0.000 0.000 0.247 339 V C 2.451 178.464 176.094 -0.134 0.000 1.051 339 V CA 2.397 64.539 62.300 -0.264 0.000 1.036 339 V CB -0.611 30.849 31.823 -0.604 0.000 0.654 339 V HN 0.566 nan 8.190 nan 0.000 0.451 340 K N 0.423 120.745 120.400 -0.129 0.000 2.001 340 K HA -0.138 4.182 4.320 0.000 0.000 0.208 340 K C 2.261 178.847 176.600 -0.022 0.000 1.048 340 K CA 1.915 58.157 56.287 -0.075 0.000 0.932 340 K CB -0.621 31.834 32.500 -0.075 0.000 0.715 340 K HN 0.663 nan 8.250 nan 0.000 0.437 341 T N -0.389 114.162 114.554 -0.006 0.000 2.962 341 T HA -0.038 4.312 4.350 0.000 0.000 0.270 341 T C 1.168 175.904 174.700 0.060 0.000 1.088 341 T CA 1.064 63.179 62.100 0.026 0.000 1.127 341 T CB -0.126 68.757 68.868 0.026 0.000 0.883 341 T HN 0.017 nan 8.240 nan 0.000 0.493 342 N N 0.579 119.332 118.700 0.088 0.000 2.214 342 N HA 0.203 4.943 4.740 0.000 0.000 0.214 342 N C 0.163 175.753 175.510 0.133 0.000 1.132 342 N CA -0.229 52.902 53.050 0.135 0.000 0.856 342 N CB -0.007 38.593 38.487 0.188 0.000 1.020 342 N HN 0.452 nan 8.380 nan 0.000 0.509 343 R N 1.219 121.760 120.500 0.069 0.000 2.502 343 R HA 0.122 4.462 4.340 0.000 0.000 0.292 343 R C -0.992 175.330 176.300 0.037 0.000 0.998 343 R CA 0.216 56.333 56.100 0.027 0.000 1.056 343 R CB 0.091 30.383 30.300 -0.013 0.000 0.939 343 R HN 0.007 nan 8.270 nan 0.000 0.411 344 L N 3.625 124.865 121.223 0.028 0.000 2.614 344 L HA 0.200 4.540 4.340 0.000 0.000 0.264 344 L C -0.703 176.168 176.870 0.003 0.000 0.940 344 L CA -0.128 54.722 54.840 0.017 0.000 0.903 344 L CB 1.977 44.043 42.059 0.012 0.000 1.306 344 L HN 0.769 nan 8.230 nan 0.000 0.410 345 S N 4.341 120.038 115.700 -0.006 0.000 2.593 345 S HA 0.326 4.796 4.470 0.000 0.000 0.269 345 S C 1.338 175.918 174.600 -0.033 0.000 1.334 345 S CA -0.529 57.665 58.200 -0.010 0.000 1.015 345 S CB 0.707 63.901 63.200 -0.012 0.000 0.912 345 S HN 0.733 nan 8.310 nan 0.000 0.541 346 L N 0.610 121.802 121.223 -0.052 0.000 2.131 346 L HA -0.120 4.220 4.340 0.000 0.000 0.210 346 L C 2.225 179.042 176.870 -0.088 0.000 1.092 346 L CA 1.507 56.283 54.840 -0.106 0.000 0.759 346 L CB -0.689 41.254 42.059 -0.194 0.000 0.903 346 L HN 0.754 nan 8.230 nan 0.000 0.435 347 D N -0.021 120.342 120.400 -0.062 0.000 2.117 347 D HA -0.168 4.472 4.640 0.000 0.000 0.198 347 D C 1.994 178.266 176.300 -0.046 0.000 0.982 347 D CA 1.203 55.173 54.000 -0.050 0.000 0.828 347 D CB 0.055 40.835 40.800 -0.034 0.000 0.967 347 D HN 0.472 nan 8.370 nan 0.000 0.464 348 E N 0.315 120.492 120.200 -0.038 0.000 2.072 348 E HA -0.142 4.208 4.350 0.000 0.000 0.191 348 E C 2.295 178.856 176.600 -0.065 0.000 0.985 348 E CA 0.557 56.938 56.400 -0.032 0.000 0.801 348 E CB -0.182 29.510 29.700 -0.013 0.000 0.750 348 E HN 0.213 nan 8.360 nan 0.000 0.452 349 C N 0.554 119.801 119.300 -0.088 0.000 2.413 349 C HA -0.172 4.288 4.460 0.000 0.000 0.276 349 C C 3.090 178.000 174.990 -0.133 0.000 1.236 349 C CA 1.581 60.518 59.018 -0.135 0.000 1.735 349 C CB -0.871 26.796 27.740 -0.123 0.000 2.031 349 C HN 0.428 nan 8.230 nan 0.000 0.474 350 S N 0.475 116.112 115.700 -0.104 0.000 2.370 350 S HA -0.201 4.269 4.470 0.000 0.000 0.226 350 S C 1.897 176.451 174.600 -0.076 0.000 1.033 350 S CA 2.041 60.185 58.200 -0.093 0.000 1.011 350 S CB -0.751 62.400 63.200 -0.081 0.000 0.852 350 S HN 0.765 nan 8.310 nan 0.000 0.457 351 N N 1.323 119.987 118.700 -0.060 0.000 2.043 351 N HA -0.040 4.700 4.740 0.000 0.000 0.193 351 N C 1.634 177.124 175.510 -0.035 0.000 1.037 351 N CA 1.993 55.021 53.050 -0.036 0.000 0.851 351 N CB -0.592 37.885 38.487 -0.018 0.000 1.027 351 N HN 0.542 nan 8.380 nan 0.000 0.422 352 I N -0.113 120.423 120.570 -0.057 0.000 2.202 352 I HA -0.225 3.945 4.170 0.000 0.000 0.242 352 I C 2.146 178.201 176.117 -0.104 0.000 1.091 352 I CA 1.673 62.935 61.300 -0.064 0.000 1.368 352 I CB -0.544 37.342 38.000 -0.190 0.000 1.058 352 I HN 0.328 nan 8.210 nan 0.000 0.410 353 T N -2.317 112.146 114.554 -0.153 0.000 3.054 353 T HA 0.200 4.550 4.350 0.000 0.000 0.259 353 T C 1.684 176.326 174.700 -0.097 0.000 1.092 353 T CA 0.606 62.618 62.100 -0.146 0.000 1.121 353 T CB 0.274 69.033 68.868 -0.181 0.000 0.912 353 T HN 0.539 nan 8.240 nan 0.000 0.489 354 G N 0.676 109.428 108.800 -0.081 0.000 2.179 354 G HA2 -0.224 3.736 3.960 0.000 0.000 0.260 354 G HA3 -0.224 3.736 3.960 0.000 0.000 0.260 354 G C 0.065 174.919 174.900 -0.076 0.000 0.977 354 G CA 0.024 45.085 45.100 -0.065 0.000 0.641 354 G HN 0.734 nan 8.290 nan 0.000 0.533 355 V N 2.217 122.076 119.914 -0.091 0.000 2.406 355 V HA 0.394 4.514 4.120 0.000 0.000 0.272 355 V C -1.374 174.666 176.094 -0.090 0.000 1.043 355 V CA -1.488 60.755 62.300 -0.096 0.000 0.915 355 V CB 1.383 33.144 31.823 -0.102 0.000 0.988 355 V HN 0.086 nan 8.190 nan 0.000 0.466 356 P HA -0.012 nan 4.420 nan 0.000 0.264 356 P C 1.045 178.290 177.300 -0.091 0.000 1.179 356 P CA 0.229 63.283 63.100 -0.077 0.000 0.763 356 P CB 0.596 32.255 31.700 -0.069 0.000 0.806 357 V N 2.871 122.733 119.914 -0.087 0.000 2.407 357 V HA -0.235 3.885 4.120 0.000 0.000 0.248 357 V C 1.986 178.010 176.094 -0.117 0.000 1.055 357 V CA 2.362 64.597 62.300 -0.109 0.000 1.049 357 V CB -1.150 30.617 31.823 -0.094 0.000 0.662 357 V HN 0.694 nan 8.190 nan 0.000 0.455 358 D N -0.189 120.159 120.400 -0.087 0.000 2.117 358 D HA -0.251 4.389 4.640 0.000 0.000 0.197 358 D C 2.066 178.302 176.300 -0.106 0.000 0.987 358 D CA 1.515 55.470 54.000 -0.076 0.000 0.829 358 D CB -0.314 40.457 40.800 -0.048 0.000 0.961 358 D HN 0.414 nan 8.370 nan 0.000 0.460 359 M N 0.081 119.609 119.600 -0.120 0.000 2.175 359 M HA -0.021 4.459 4.480 0.000 0.000 0.264 359 M C 2.588 178.785 176.300 -0.172 0.000 1.063 359 M CA 0.920 56.123 55.300 -0.162 0.000 1.119 359 M CB -0.145 32.370 32.600 -0.141 0.000 1.377 359 M HN -0.016 nan 8.290 nan 0.000 0.415 360 L N -0.094 121.046 121.223 -0.139 0.000 2.046 360 L HA -0.231 4.109 4.340 0.000 0.000 0.208 360 L C 2.408 179.203 176.870 -0.125 0.000 1.077 360 L CA 1.401 56.172 54.840 -0.116 0.000 0.747 360 L CB -0.608 41.360 42.059 -0.151 0.000 0.896 360 L HN 0.280 nan 8.230 nan 0.000 0.432 361 K N -0.385 119.905 120.400 -0.183 0.000 2.097 361 K HA -0.183 4.137 4.320 0.000 0.000 0.205 361 K C 2.263 178.882 176.600 0.033 0.000 1.050 361 K CA 1.021 57.234 56.287 -0.123 0.000 0.938 361 K CB -0.129 32.315 32.500 -0.095 0.000 0.718 361 K HN 0.177 nan 8.250 nan 0.000 0.442 362 R N 0.898 121.325 120.500 -0.122 0.000 2.073 362 R HA -0.130 4.210 4.340 0.000 0.000 0.234 362 R C 2.272 178.264 176.300 -0.512 0.000 1.134 362 R CA 1.447 57.356 56.100 -0.317 0.000 0.952 362 R CB -0.263 29.750 30.300 -0.478 0.000 0.850 362 R HN 0.179 nan 8.270 nan 0.000 0.433 363 A N 0.756 123.336 122.820 -0.401 0.000 1.917 363 A HA -0.175 4.145 4.320 0.000 0.000 0.219 363 A C 2.343 180.026 177.584 0.165 0.000 1.182 363 A CA 1.959 53.848 52.037 -0.248 0.000 0.633 363 A CB -0.835 18.114 19.000 -0.085 0.000 0.819 363 A HN 0.562 nan 8.150 nan 0.000 0.448 364 A N -0.927 122.109 122.820 0.361 0.000 1.969 364 A HA -0.122 4.198 4.320 0.000 0.000 0.218 364 A C 2.078 180.000 177.584 0.563 0.000 1.169 364 A CA 1.678 54.135 52.037 0.700 0.000 0.635 364 A CB -0.378 19.180 19.000 0.930 0.000 0.810 364 A HN 0.558 nan 8.150 nan 0.000 0.445 365 E N -0.765 119.668 120.200 0.388 0.000 2.072 365 E HA -0.186 4.164 4.350 0.000 0.000 0.190 365 E C 1.763 178.441 176.600 0.130 0.000 0.982 365 E CA 1.193 57.689 56.400 0.160 0.000 0.803 365 E CB -0.278 29.562 29.700 0.235 0.000 0.755 365 E HN 0.715 nan 8.360 nan 0.000 0.453 366 W N 1.206 122.484 121.300 -0.037 0.000 2.358 366 W HA -0.048 4.612 4.660 0.001 0.000 0.303 366 W C 2.651 179.075 176.519 -0.157 0.000 1.208 366 W CA 1.334 58.622 57.345 -0.096 0.000 1.274 366 W CB -1.031 28.376 29.460 -0.089 0.000 1.138 366 W HN 0.065 nan 8.180 nan 0.000 0.515 367 S N -1.840 113.880 115.700 0.032 0.000 2.425 367 S HA -0.072 4.398 4.470 0.000 0.000 0.225 367 S C 1.072 175.340 174.600 -0.554 0.000 1.024 367 S CA 1.017 59.004 58.200 -0.355 0.000 0.951 367 S CB -0.261 62.556 63.200 -0.640 0.000 0.796 367 S HN 0.268 nan 8.310 nan 0.000 0.498 368 Y N 0.354 120.761 120.300 0.179 0.000 2.448 368 Y HA 0.430 4.980 4.550 0.000 0.000 0.257 368 Y C 0.477 176.282 175.900 -0.159 0.000 1.089 368 Y CA -1.016 57.159 58.100 0.126 0.000 1.245 368 Y CB 0.137 38.799 38.460 0.337 0.000 1.282 368 Y HN -0.040 nan 8.280 nan 0.000 0.529 369 K N 3.290 123.395 120.400 -0.492 0.000 2.339 369 K HA 0.212 4.532 4.320 0.000 0.000 0.286 369 K C -2.698 173.600 176.600 -0.503 0.000 1.050 369 K CA -1.796 53.797 56.287 -1.156 0.000 0.956 369 K CB 0.544 32.133 32.500 -1.518 0.000 0.990 369 K HN -0.129 nan 8.250 nan 0.000 0.475 370 P HA -0.125 nan 4.420 nan 0.000 0.261 370 P C -0.875 176.331 177.300 -0.157 0.000 1.165 370 P CA 0.556 63.556 63.100 -0.166 0.000 0.759 370 P CB 0.399 32.046 31.700 -0.089 0.000 0.772 371 K N 2.247 122.574 120.400 -0.122 0.000 2.180 371 K HA 0.239 4.559 4.320 0.000 0.000 0.251 371 K C 1.524 178.066 176.600 -0.097 0.000 1.014 371 K CA -0.134 56.083 56.287 -0.116 0.000 0.913 371 K CB 0.254 32.681 32.500 -0.121 0.000 1.008 371 K HN 0.353 nan 8.250 nan 0.000 0.490 372 A N 1.089 123.854 122.820 -0.091 0.000 1.986 372 A HA -0.188 4.132 4.320 0.000 0.000 0.220 372 A C 1.999 179.539 177.584 -0.072 0.000 1.171 372 A CA 2.221 54.215 52.037 -0.072 0.000 0.640 372 A CB -0.718 18.241 19.000 -0.069 0.000 0.811 372 A HN 0.749 nan 8.150 nan 0.000 0.451 373 S N -2.401 113.241 115.700 -0.096 0.000 2.489 373 S HA 0.350 4.820 4.470 0.000 0.000 0.228 373 S C 1.486 176.045 174.600 -0.068 0.000 0.995 373 S CA 1.128 59.273 58.200 -0.093 0.000 0.934 373 S CB -0.030 63.087 63.200 -0.138 0.000 0.771 373 S HN 1.798 nan 8.310 nan 0.000 0.522 374 G N -0.174 108.588 108.800 -0.064 0.000 2.284 374 G HA2 -0.158 3.802 3.960 0.000 0.000 0.201 374 G HA3 -0.158 3.802 3.960 0.000 0.000 0.201 374 G C -0.203 174.673 174.900 -0.041 0.000 0.998 374 G CA -0.407 44.669 45.100 -0.041 0.000 0.651 374 G HN 0.509 nan 8.290 nan 0.000 0.489 375 Q N 0.796 120.558 119.800 -0.064 0.000 2.227 375 Q HA 0.781 5.121 4.340 0.000 0.000 0.245 375 Q C 0.478 176.437 176.000 -0.069 0.000 0.926 375 Q CA 0.384 56.148 55.803 -0.066 0.000 0.895 375 Q CB 1.520 30.200 28.738 -0.098 0.000 1.230 375 Q HN 0.837 nan 8.270 nan 0.000 0.450 376 A N 2.537 125.328 122.820 -0.049 0.000 2.371 376 A HA 0.500 4.820 4.320 0.000 0.000 0.257 376 A C -2.169 175.382 177.584 -0.056 0.000 1.089 376 A CA -1.225 50.795 52.037 -0.028 0.000 0.794 376 A CB -0.372 18.648 19.000 0.033 0.000 1.029 376 A HN 0.500 nan 8.150 nan 0.000 0.488 377 P HA 0.124 nan 4.420 nan 0.000 0.270 377 P C -0.579 176.687 177.300 -0.058 0.000 1.227 377 P CA 0.139 63.201 63.100 -0.063 0.000 0.788 377 P CB 0.369 32.031 31.700 -0.065 0.000 0.926 378 R N 0.771 121.221 120.500 -0.083 0.000 2.204 378 R HA 0.409 4.749 4.340 0.000 0.000 0.341 378 R C -0.486 175.780 176.300 -0.057 0.000 1.035 378 R CA -0.131 55.912 56.100 -0.095 0.000 0.887 378 R CB 0.339 30.544 30.300 -0.159 0.000 1.114 378 R HN 0.390 nan 8.270 nan 0.000 0.473 379 T N 3.907 118.454 114.554 -0.011 0.000 2.815 379 T HA 0.251 4.601 4.350 0.000 0.000 0.289 379 T C -0.343 174.326 174.700 -0.052 0.000 1.000 379 T CA -0.552 61.521 62.100 -0.044 0.000 0.958 379 T CB 1.205 70.046 68.868 -0.044 0.000 0.944 379 T HN 0.382 nan 8.240 nan 0.000 0.442 380 M N 4.057 123.594 119.600 -0.105 0.000 2.144 380 M HA 0.343 4.823 4.480 0.000 0.000 0.356 380 M C -1.057 175.182 176.300 -0.102 0.000 1.217 380 M CA -0.388 54.886 55.300 -0.044 0.000 1.087 380 M CB 0.246 32.793 32.600 -0.088 0.000 1.609 380 M HN 0.638 nan 8.290 nan 0.000 0.467 381 H N 3.780 122.906 119.070 0.093 0.000 2.597 381 H HA 0.581 5.137 4.556 0.000 0.000 0.303 381 H C -0.561 174.888 175.328 0.201 0.000 1.057 381 H CA -0.368 55.762 56.048 0.137 0.000 1.261 381 H CB 0.988 30.756 29.762 0.011 0.000 1.397 381 H HN 0.744 nan 8.280 nan 0.000 0.461 382 A N 3.721 126.730 122.820 0.315 0.000 2.317 382 A HA 0.639 4.959 4.320 0.000 0.000 0.327 382 A C -1.201 176.605 177.584 0.369 0.000 1.178 382 A CA -0.721 51.496 52.037 0.300 0.000 0.817 382 A CB 0.328 19.545 19.000 0.361 0.000 1.189 382 A HN 0.748 nan 8.150 nan 0.000 0.489 383 Y N -0.593 119.823 120.300 0.194 0.000 2.597 383 Y HA 0.866 5.417 4.550 0.001 0.000 0.340 383 Y C -0.415 175.546 175.900 0.102 0.000 1.097 383 Y CA -0.897 57.297 58.100 0.156 0.000 1.037 383 Y CB 1.244 39.765 38.460 0.102 0.000 1.305 383 Y HN 0.678 nan 8.280 nan 0.000 0.463 384 E N 0.384 120.717 120.200 0.221 0.000 2.909 384 E HA 0.419 4.769 4.350 0.000 0.000 0.119 384 E C 0.296 176.920 176.600 0.040 0.000 1.056 384 E CA -0.402 56.026 56.400 0.047 0.000 0.788 384 E CB 0.401 30.096 29.700 -0.008 0.000 2.111 384 E HN 0.438 nan 8.360 nan 0.000 0.447 385 K N 0.281 120.627 120.400 -0.091 0.000 2.519 385 K HA 0.084 4.404 4.320 0.000 0.000 0.196 385 K C 1.540 178.201 176.600 0.101 0.000 1.041 385 K CA 0.958 57.135 56.287 -0.183 0.000 0.954 385 K CB -0.660 31.670 32.500 -0.284 0.000 0.774 385 K HN 0.490 nan 8.250 nan 0.000 0.480 386 G N 1.540 110.448 108.800 0.181 0.000 2.408 386 G HA2 -0.175 3.785 3.960 0.000 0.000 0.217 386 G HA3 -0.175 3.785 3.960 0.000 0.000 0.217 386 G C 1.513 176.589 174.900 0.293 0.000 1.150 386 G CA 0.811 46.077 45.100 0.277 0.000 0.776 386 G HN 0.473 nan 8.290 nan 0.000 0.542 387 I N -3.176 117.539 120.570 0.242 0.000 4.035 387 I HA 0.393 4.563 4.170 0.000 0.000 0.321 387 I C 2.189 178.403 176.117 0.163 0.000 1.289 387 I CA -0.054 61.367 61.300 0.201 0.000 1.236 387 I CB 0.099 38.193 38.000 0.157 0.000 1.076 387 I HN -0.019 nan 8.210 nan 0.000 0.418 388 I N 0.561 121.201 120.570 0.116 0.000 2.353 388 I HA -0.129 4.041 4.170 0.000 0.000 0.248 388 I C 1.191 177.465 176.117 0.260 0.000 1.119 388 I CA 1.767 63.081 61.300 0.023 0.000 1.417 388 I CB -0.042 37.779 38.000 -0.299 0.000 1.078 388 I HN 0.329 nan 8.210 nan 0.000 0.421 389 W N 1.158 122.600 121.300 0.237 0.000 3.086 389 W HA 0.345 5.004 4.660 -0.001 0.000 0.436 389 W C 0.958 177.698 176.519 0.368 0.000 0.939 389 W CA -0.907 56.641 57.345 0.337 0.000 2.108 389 W CB 0.130 29.812 29.460 0.371 0.000 1.093 389 W HN -0.027 nan 8.180 nan 0.000 0.783 390 G N 0.566 109.610 108.800 0.407 0.000 2.583 390 G HA2 -0.014 3.946 3.960 0.000 0.000 0.280 390 G HA3 -0.014 3.946 3.960 0.000 0.000 0.280 390 G C -0.417 174.169 174.900 -0.524 0.000 1.376 390 G CA -0.702 44.458 45.100 0.101 0.000 1.043 390 G HN -0.034 nan 8.290 nan 0.000 0.538 391 N N 1.107 119.289 118.700 -0.863 0.000 2.454 391 N HA 0.098 4.838 4.740 0.000 0.000 0.285 391 N C -0.318 175.100 175.510 -0.154 0.000 1.233 391 N CA 0.344 52.896 53.050 -0.831 0.000 1.036 391 N CB -0.425 37.859 38.487 -0.339 0.000 1.423 391 N HN 0.448 nan 8.380 nan 0.000 0.495 392 D N 1.425 121.872 120.400 0.077 0.000 3.639 392 D HA -0.186 4.454 4.640 0.000 0.000 0.253 392 D C 0.922 177.364 176.300 0.238 0.000 1.049 392 D CA 0.208 54.399 54.000 0.319 0.000 1.059 392 D CB -1.160 39.810 40.800 0.284 0.000 0.953 392 D HN 0.666 nan 8.370 nan 0.000 0.420 393 N N 1.317 120.169 118.700 0.253 0.000 2.064 393 N HA -0.304 4.436 4.740 0.000 0.000 0.200 393 N C 1.682 177.293 175.510 0.167 0.000 1.028 393 N CA 2.323 55.498 53.050 0.208 0.000 0.880 393 N CB -0.505 38.139 38.487 0.260 0.000 1.062 393 N HN 0.678 nan 8.380 nan 0.000 0.454 394 Y N 0.907 121.270 120.300 0.104 0.000 2.207 394 Y HA -0.145 4.406 4.550 0.001 0.000 0.287 394 Y C 2.494 178.424 175.900 0.049 0.000 1.156 394 Y CA 1.586 59.730 58.100 0.073 0.000 1.182 394 Y CB -0.121 38.382 38.460 0.071 0.000 0.979 394 Y HN -0.043 nan 8.280 nan 0.000 0.521 395 V N -0.062 120.001 119.914 0.249 0.000 2.407 395 V HA -0.272 3.848 4.120 0.000 0.000 0.245 395 V C 2.206 178.340 176.094 0.066 0.000 1.041 395 V CA 1.825 64.229 62.300 0.173 0.000 1.040 395 V CB -0.492 31.461 31.823 0.216 0.000 0.671 395 V HN 0.385 nan 8.190 nan 0.000 0.455 396 I N -0.113 120.498 120.570 0.069 0.000 2.208 396 I HA -0.321 3.849 4.170 0.000 0.000 0.245 396 I C 2.656 178.691 176.117 -0.137 0.000 1.097 396 I CA 1.694 63.016 61.300 0.036 0.000 1.363 396 I CB -0.412 37.630 38.000 0.071 0.000 1.051 396 I HN 0.356 nan 8.210 nan 0.000 0.413 397 Q N 0.134 119.801 119.800 -0.221 0.000 2.167 397 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 397 Q C 2.427 178.219 176.000 -0.346 0.000 0.970 397 Q CA 1.615 57.195 55.803 -0.371 0.000 0.855 397 Q CB -0.068 28.452 28.738 -0.363 0.000 0.911 397 Q HN 0.441 nan 8.270 nan 0.000 0.438 398 S N 0.777 116.306 115.700 -0.285 0.000 2.382 398 S HA -0.163 4.307 4.470 0.000 0.000 0.228 398 S C 2.009 176.482 174.600 -0.212 0.000 1.027 398 S CA 1.065 59.120 58.200 -0.242 0.000 0.991 398 S CB -0.188 62.926 63.200 -0.142 0.000 0.823 398 S HN 0.495 nan 8.310 nan 0.000 0.469 399 A N 1.321 124.045 122.820 -0.161 0.000 1.872 399 A HA 0.056 4.376 4.320 0.000 0.000 0.214 399 A C 2.114 179.542 177.584 -0.259 0.000 1.187 399 A CA 1.152 53.110 52.037 -0.131 0.000 0.614 399 A CB -0.719 18.311 19.000 0.050 0.000 0.826 399 A HN 0.404 nan 8.150 nan 0.000 0.442 400 L N -0.311 120.646 121.223 -0.444 0.000 1.994 400 L HA -0.099 4.241 4.340 0.000 0.000 0.208 400 L C 2.081 178.605 176.870 -0.576 0.000 1.071 400 L CA 1.667 56.025 54.840 -0.804 0.000 0.745 400 L CB -0.542 40.868 42.059 -1.083 0.000 0.892 400 L HN 0.252 nan 8.230 nan 0.000 0.431 401 L N -0.277 120.664 121.223 -0.471 0.000 2.131 401 L HA -0.211 4.129 4.340 0.000 0.000 0.210 401 L C 2.286 178.921 176.870 -0.393 0.000 1.092 401 L CA 1.559 56.156 54.840 -0.404 0.000 0.759 401 L CB -1.655 40.188 42.059 -0.360 0.000 0.903 401 L HN 0.386 nan 8.230 nan 0.000 0.435 402 D N -0.418 119.755 120.400 -0.379 0.000 2.144 402 D HA -0.188 4.453 4.640 0.000 0.000 0.199 402 D C 2.195 178.363 176.300 -0.220 0.000 0.984 402 D CA 0.824 54.627 54.000 -0.329 0.000 0.834 402 D CB 0.019 40.469 40.800 -0.584 0.000 0.955 402 D HN 0.186 nan 8.370 nan 0.000 0.465 403 L N 0.655 121.717 121.223 -0.268 0.000 2.027 403 L HA -0.127 4.213 4.340 0.000 0.000 0.206 403 L C 2.267 179.045 176.870 -0.154 0.000 1.074 403 L CA 1.323 56.118 54.840 -0.076 0.000 0.745 403 L CB -0.584 41.387 42.059 -0.146 0.000 0.898 403 L HN -0.145 nan 8.230 nan 0.000 0.433 404 V N 0.100 119.816 119.914 -0.330 0.000 2.287 404 V HA -0.336 3.784 4.120 0.000 0.000 0.248 404 V C 2.542 178.577 176.094 -0.099 0.000 1.053 404 V CA 2.360 64.474 62.300 -0.310 0.000 1.027 404 V CB -0.531 31.057 31.823 -0.392 0.000 0.646 404 V HN 0.450 nan 8.190 nan 0.000 0.447 405 I N 0.438 120.923 120.570 -0.141 0.000 2.179 405 I HA -0.243 3.927 4.170 0.000 0.000 0.242 405 I C 2.659 178.906 176.117 0.217 0.000 1.088 405 I CA 1.586 62.834 61.300 -0.087 0.000 1.357 405 I CB -0.652 36.986 38.000 -0.603 0.000 1.051 405 I HN 0.293 nan 8.210 nan 0.000 0.409 406 A N 0.466 123.510 122.820 0.372 0.000 1.972 406 A HA -0.188 4.132 4.320 0.000 0.000 0.219 406 A C 2.134 179.883 177.584 0.274 0.000 1.169 406 A CA 2.154 54.474 52.037 0.471 0.000 0.635 406 A CB -1.004 18.393 19.000 0.661 0.000 0.810 406 A HN 0.542 nan 8.150 nan 0.000 0.446 407 T N -4.716 109.955 114.554 0.195 0.000 3.244 407 T HA 0.203 4.553 4.350 0.000 0.000 0.254 407 T C 0.369 175.183 174.700 0.190 0.000 1.024 407 T CA 0.448 62.660 62.100 0.186 0.000 0.920 407 T CB -0.968 68.001 68.868 0.169 0.000 1.042 407 T HN 0.657 nan 8.240 nan 0.000 0.572 408 H N 1.124 120.166 119.070 -0.046 0.000 2.527 408 H HA -0.158 4.398 4.556 0.000 0.000 0.321 408 H C -0.287 174.922 175.328 -0.197 0.000 1.092 408 H CA 0.103 55.902 56.048 -0.414 0.000 1.118 408 H CB -1.223 28.194 29.762 -0.575 0.000 1.536 408 H HN 0.344 nan 8.280 nan 0.000 0.407 409 N N 1.066 119.822 118.700 0.093 0.000 2.380 409 N HA 0.129 4.869 4.740 0.000 0.000 0.255 409 N C -0.634 174.953 175.510 0.130 0.000 1.158 409 N CA 0.746 53.866 53.050 0.117 0.000 0.878 409 N CB 0.854 39.492 38.487 0.250 0.000 1.138 409 N HN 0.275 nan 8.380 nan 0.000 0.509 410 V N -4.878 115.125 119.914 0.149 0.000 2.925 410 V HA 0.814 4.934 4.120 0.000 0.000 0.311 410 V C 1.077 177.317 176.094 0.244 0.000 1.104 410 V CA -0.553 61.883 62.300 0.227 0.000 0.954 410 V CB 1.351 33.359 31.823 0.309 0.000 1.022 410 V HN 0.137 nan 8.190 nan 0.000 0.427 411 G N 2.327 111.258 108.800 0.219 0.000 2.234 411 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 411 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 411 G C 0.339 175.261 174.900 0.036 0.000 0.987 411 G CA 0.559 45.752 45.100 0.156 0.000 0.625 411 G HN 0.879 nan 8.290 nan 0.000 0.532 412 R N 0.328 120.797 120.500 -0.052 0.000 2.460 412 R HA 0.515 4.856 4.340 0.000 0.000 0.303 412 R C 0.161 176.435 176.300 -0.043 0.000 0.968 412 R CA -1.113 54.904 56.100 -0.139 0.000 0.889 412 R CB 0.794 30.894 30.300 -0.333 0.000 1.123 412 R HN 0.034 nan 8.270 nan 0.000 0.455 413 R N 0.543 121.055 120.500 0.019 0.000 2.623 413 R HA 0.084 4.424 4.340 0.000 0.000 0.271 413 R C 1.149 177.484 176.300 0.058 0.000 1.043 413 R CA 0.681 56.849 56.100 0.113 0.000 1.083 413 R CB 0.043 30.522 30.300 0.300 0.000 0.974 413 R HN 1.041 nan 8.270 nan 0.000 0.436 414 G N 0.406 109.258 108.800 0.087 0.000 2.176 414 G HA2 -0.325 3.635 3.960 0.000 0.000 0.253 414 G HA3 -0.325 3.635 3.960 0.000 0.000 0.253 414 G C 0.449 175.346 174.900 -0.006 0.000 0.979 414 G CA 0.822 45.942 45.100 0.033 0.000 0.641 414 G HN 0.861 nan 8.290 nan 0.000 0.530 415 T N -2.690 111.874 114.554 0.017 0.000 2.675 415 T HA 0.908 5.258 4.350 0.000 0.000 0.241 415 T C 0.847 175.608 174.700 0.102 0.000 0.949 415 T CA 0.366 62.494 62.100 0.046 0.000 1.077 415 T CB 1.864 70.756 68.868 0.039 0.000 1.797 415 T HN 2.291 nan 8.240 nan 0.000 0.551 416 G N -1.054 107.837 108.800 0.151 0.000 2.742 416 G HA2 0.184 4.144 3.960 0.000 0.000 0.686 416 G HA3 0.184 4.144 3.960 0.000 0.000 0.686 416 G C -0.532 174.503 174.900 0.225 0.000 1.220 416 G CA -0.550 44.660 45.100 0.184 0.000 0.783 416 G HN 1.466 nan 8.290 nan 0.000 0.646 417 C N 3.616 123.042 119.300 0.211 0.000 2.362 417 C HA 0.818 5.278 4.460 0.000 0.000 0.309 417 C C 0.496 175.641 174.990 0.258 0.000 1.110 417 C CA 0.272 59.428 59.018 0.230 0.000 1.485 417 C CB -0.900 26.893 27.740 0.089 0.000 1.949 417 C HN 1.834 nan 8.230 nan 0.000 0.419 418 V N 4.089 124.130 119.914 0.211 0.000 3.040 418 V HA 0.677 4.797 4.120 0.000 0.000 0.312 418 V C -0.212 175.665 176.094 -0.361 0.000 1.115 418 V CA -1.003 61.323 62.300 0.044 0.000 0.998 418 V CB 1.407 33.300 31.823 0.117 0.000 1.042 418 V HN 0.797 nan 8.190 nan 0.000 0.433 419 R N 1.926 122.124 120.500 -0.503 0.000 2.679 419 R HA 0.380 4.720 4.340 0.000 0.000 0.269 419 R C 0.674 176.854 176.300 -0.200 0.000 1.076 419 R CA -0.490 55.211 56.100 -0.664 0.000 1.160 419 R CB 0.638 30.720 30.300 -0.363 0.000 1.054 419 R HN 0.749 nan 8.270 nan 0.000 0.507 420 M N 0.722 120.250 119.600 -0.119 0.000 2.492 420 M HA 0.129 4.609 4.480 0.000 0.000 0.255 420 M C 0.746 177.093 176.300 0.078 0.000 1.139 420 M CA 0.566 55.913 55.300 0.078 0.000 1.096 420 M CB -0.354 32.295 32.600 0.082 0.000 1.360 420 M HN 0.938 nan 8.290 nan 0.000 0.480 421 G N -0.307 108.493 108.800 -0.000 0.000 2.814 421 G HA2 -0.070 3.890 3.960 0.000 0.000 0.677 421 G HA3 -0.070 3.890 3.960 0.000 0.000 0.677 421 G C 0.294 175.216 174.900 0.037 0.000 1.429 421 G CA -0.228 44.890 45.100 0.030 0.000 0.868 421 G HN 0.445 nan 8.290 nan 0.000 0.553 422 G N -0.957 107.880 108.800 0.062 0.000 2.531 422 G HA2 0.504 4.464 3.960 0.000 0.000 0.210 422 G HA3 0.504 4.464 3.960 0.000 0.000 0.210 422 G C 0.488 175.454 174.900 0.109 0.000 1.547 422 G CA 0.714 45.837 45.100 0.038 0.000 0.740 422 G HN 0.910 nan 8.290 nan 0.000 0.611 423 H N 0.144 119.309 119.070 0.159 0.000 2.497 423 H HA 0.543 5.099 4.556 -0.000 0.000 0.348 423 H C 0.233 175.647 175.328 0.144 0.000 1.335 423 H CA -0.381 55.766 56.048 0.165 0.000 1.395 423 H CB 0.927 30.596 29.762 -0.156 0.000 1.658 423 H HN 0.209 nan 8.280 nan 0.000 0.613 424 Q N 0.428 120.401 119.800 0.288 0.000 2.407 424 Q HA 0.148 4.488 4.340 0.000 0.000 0.214 424 Q C -0.330 175.767 176.000 0.161 0.000 1.043 424 Q CA -0.488 55.417 55.803 0.171 0.000 0.983 424 Q CB 0.737 29.539 28.738 0.106 0.000 1.211 424 Q HN 0.496 nan 8.270 nan 0.000 0.564 425 E N -0.541 119.711 120.200 0.087 0.000 2.212 425 E HA 0.542 4.892 4.350 0.000 0.000 0.270 425 E C -0.581 175.904 176.600 -0.191 0.000 0.956 425 E CA -0.505 55.925 56.400 0.049 0.000 0.825 425 E CB 1.799 31.554 29.700 0.092 0.000 1.167 425 E HN 0.829 nan 8.360 nan 0.000 0.400 426 G N 2.045 110.636 108.800 -0.348 0.000 4.695 426 G HA2 0.030 3.990 3.960 0.000 0.000 0.229 426 G HA3 0.030 3.990 3.960 0.000 0.000 0.229 426 G C -1.507 173.048 174.900 -0.574 0.000 2.630 426 G CA -0.546 43.826 45.100 -1.213 0.000 0.626 426 G HN 0.335 nan 8.290 nan 0.000 0.234 427 Y N 1.913 122.107 120.300 -0.177 0.000 2.353 427 Y HA 0.653 5.203 4.550 0.000 0.000 0.340 427 Y C -0.283 175.866 175.900 0.415 0.000 0.972 427 Y CA -0.031 58.174 58.100 0.175 0.000 1.157 427 Y CB 1.809 40.375 38.460 0.177 0.000 1.157 427 Y HN 0.099 nan 8.280 nan 0.000 0.495 428 T N 7.462 122.035 114.554 0.032 0.000 3.050 428 T HA 0.566 4.916 4.350 0.000 0.000 0.310 428 T C -0.828 173.911 174.700 0.066 0.000 0.978 428 T CA -0.781 61.414 62.100 0.158 0.000 1.013 428 T CB 0.759 69.818 68.868 0.318 0.000 1.000 428 T HN 0.611 nan 8.240 nan 0.000 0.447 429 R N 2.342 122.891 120.500 0.081 0.000 2.716 429 R HA 0.483 4.823 4.340 0.000 0.000 0.271 429 R C -3.102 173.415 176.300 0.362 0.000 1.028 429 R CA -2.019 54.179 56.100 0.163 0.000 0.883 429 R CB 2.187 32.367 30.300 -0.200 0.000 1.250 429 R HN 0.315 nan 8.270 nan 0.000 0.465 430 P HA 0.207 nan 4.420 nan 0.000 0.274 430 P C -2.528 174.991 177.300 0.364 0.000 1.256 430 P CA -1.346 61.943 63.100 0.315 0.000 0.795 430 P CB 0.134 31.939 31.700 0.176 0.000 1.038 431 P HA 0.055 nan 4.420 nan 0.000 0.272 431 P C -0.863 176.431 177.300 -0.009 0.000 1.223 431 P CA -0.075 63.136 63.100 0.185 0.000 0.784 431 P CB 0.065 31.831 31.700 0.110 0.000 0.923 432 Y N 4.868 124.991 120.300 -0.294 0.000 2.620 432 Y HA 0.128 4.678 4.550 -0.000 0.000 0.330 432 Y C -1.523 174.019 175.900 -0.596 0.000 1.186 432 Y CA -1.742 55.793 58.100 -0.942 0.000 1.467 432 Y CB 0.018 38.127 38.460 -0.585 0.000 1.262 432 Y HN 0.319 nan 8.280 nan 0.000 0.550 433 P HA 0.270 nan 4.420 nan 0.000 0.214 433 P C -0.488 176.354 177.300 -0.763 0.000 1.807 433 P CA 0.283 62.932 63.100 -0.751 0.000 0.921 433 P CB -0.138 31.235 31.700 -0.544 0.000 1.835 434 G N -0.249 108.113 108.800 -0.729 0.000 2.660 434 G HA2 0.299 4.259 3.960 0.000 0.000 0.290 434 G HA3 0.299 4.259 3.960 0.000 0.000 0.290 434 G C -0.618 174.263 174.900 -0.032 0.000 1.432 434 G CA -0.417 44.465 45.100 -0.365 0.000 0.807 434 G HN -0.086 nan 8.290 nan 0.000 0.485 435 D N -0.784 119.633 120.400 0.029 0.000 2.441 435 D HA 0.106 4.746 4.640 0.000 0.000 0.210 435 D C 0.523 176.876 176.300 0.089 0.000 1.102 435 D CA 0.447 54.485 54.000 0.063 0.000 0.840 435 D CB 1.071 41.884 40.800 0.021 0.000 0.990 435 D HN 0.561 nan 8.370 nan 0.000 0.505 436 K N 0.399 120.871 120.400 0.120 0.000 2.318 436 K HA 0.484 4.804 4.320 0.000 0.000 0.249 436 K C -0.398 176.280 176.600 0.129 0.000 0.942 436 K CA -0.854 55.491 56.287 0.097 0.000 0.808 436 K CB 2.357 34.896 32.500 0.066 0.000 1.189 436 K HN -0.376 nan 8.250 nan 0.000 0.428 437 K N 2.654 123.091 120.400 0.063 0.000 2.297 437 K HA 0.305 4.625 4.320 0.000 0.000 0.286 437 K C -0.508 176.136 176.600 0.073 0.000 1.053 437 K CA -0.301 56.008 56.287 0.037 0.000 0.940 437 K CB 0.618 33.107 32.500 -0.017 0.000 1.019 437 K HN 0.513 nan 8.250 nan 0.000 0.475 438 I N 3.157 123.790 120.570 0.104 0.000 2.389 438 I HA 0.141 4.311 4.170 0.000 0.000 0.288 438 I C -0.499 175.737 176.117 0.199 0.000 0.999 438 I CA -0.900 60.488 61.300 0.147 0.000 1.129 438 I CB 1.197 39.286 38.000 0.148 0.000 1.288 438 I HN 0.587 nan 8.210 nan 0.000 0.444 439 Y N 6.828 127.168 120.300 0.067 0.000 2.616 439 Y HA 0.141 4.690 4.550 -0.001 0.000 0.350 439 Y C 1.297 177.272 175.900 0.124 0.000 1.119 439 Y CA -0.733 57.410 58.100 0.071 0.000 1.467 439 Y CB 0.506 38.988 38.460 0.035 0.000 1.287 439 Y HN 0.573 nan 8.280 nan 0.000 0.504 440 I N 3.467 124.302 120.570 0.442 0.000 2.151 440 I HA -0.332 3.838 4.170 0.000 0.000 0.243 440 I C 1.592 177.943 176.117 0.390 0.000 1.080 440 I CA 1.417 62.962 61.300 0.407 0.000 1.339 440 I CB -0.854 37.361 38.000 0.358 0.000 1.039 440 I HN 0.646 nan 8.210 nan 0.000 0.409 441 D N 0.549 121.206 120.400 0.428 0.000 2.158 441 D HA -0.207 4.433 4.640 0.000 0.000 0.197 441 D C 2.324 178.677 176.300 0.088 0.000 0.995 441 D CA 1.098 55.276 54.000 0.298 0.000 0.846 441 D CB -0.247 40.785 40.800 0.387 0.000 0.941 441 D HN 0.482 nan 8.370 nan 0.000 0.456 442 Q N -0.030 119.703 119.800 -0.112 0.000 2.083 442 Q HA -0.107 4.233 4.340 0.000 0.000 0.198 442 Q C 1.951 177.935 176.000 -0.027 0.000 0.969 442 Q CA 0.739 56.421 55.803 -0.201 0.000 0.838 442 Q CB 0.051 28.525 28.738 -0.441 0.000 0.900 442 Q HN 0.269 nan 8.270 nan 0.000 0.436 443 E N 0.900 121.150 120.200 0.083 0.000 2.085 443 E HA -0.159 4.191 4.350 0.000 0.000 0.194 443 E C 2.095 178.725 176.600 0.049 0.000 0.994 443 E CA 0.912 57.399 56.400 0.145 0.000 0.801 443 E CB -0.167 29.745 29.700 0.352 0.000 0.743 443 E HN 0.378 nan 8.360 nan 0.000 0.453 444 L N 0.317 121.551 121.223 0.020 0.000 2.056 444 L HA -0.114 4.226 4.340 0.000 0.000 0.207 444 L C 2.564 179.406 176.870 -0.047 0.000 1.078 444 L CA 0.747 55.517 54.840 -0.116 0.000 0.749 444 L CB -0.337 41.689 42.059 -0.054 0.000 0.901 444 L HN 0.080 nan 8.230 nan 0.000 0.433 445 I N -0.101 120.469 120.570 -0.001 0.000 2.286 445 I HA -0.287 3.883 4.170 0.000 0.000 0.248 445 I C 2.133 178.239 176.117 -0.018 0.000 1.115 445 I CA 1.388 62.686 61.300 -0.003 0.000 1.392 445 I CB -0.223 37.774 38.000 -0.005 0.000 1.065 445 I HN 0.204 nan 8.210 nan 0.000 0.418 446 K N 0.722 121.111 120.400 -0.019 0.000 2.555 446 K HA 0.040 4.360 4.320 0.000 0.000 0.193 446 K C 1.193 177.779 176.600 -0.023 0.000 1.032 446 K CA 0.705 56.983 56.287 -0.015 0.000 1.004 446 K CB 0.029 32.528 32.500 -0.002 0.000 0.804 446 K HN 0.529 nan 8.250 nan 0.000 0.496 447 G N 1.443 110.215 108.800 -0.046 0.000 2.141 447 G HA2 -0.200 3.760 3.960 0.000 0.000 0.231 447 G HA3 -0.200 3.760 3.960 0.000 0.000 0.231 447 G C -0.161 174.681 174.900 -0.096 0.000 0.984 447 G CA -0.303 44.757 45.100 -0.067 0.000 0.660 447 G HN 0.038 nan 8.290 nan 0.000 0.525 448 K N 0.701 121.037 120.400 -0.107 0.000 2.202 448 K HA 0.602 4.922 4.320 0.000 0.000 0.264 448 K C 0.875 177.240 176.600 -0.391 0.000 1.010 448 K CA 0.753 56.981 56.287 -0.097 0.000 0.940 448 K CB 0.878 33.444 32.500 0.110 0.000 0.983 448 K HN 1.708 nan 8.250 nan 0.000 0.475 449 G N 1.612 110.287 108.800 -0.208 0.000 2.785 449 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 449 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 449 G C 0.228 175.024 174.900 -0.172 0.000 1.155 449 G CA -0.664 44.263 45.100 -0.288 0.000 0.760 449 G HN 0.464 nan 8.290 nan 0.000 0.624 450 R N 0.570 121.042 120.500 -0.047 0.000 2.146 450 R HA 0.330 4.670 4.340 0.000 0.000 0.206 450 R C 1.356 177.650 176.300 -0.010 0.000 1.049 450 R CA 1.068 57.137 56.100 -0.052 0.000 1.029 450 R CB 0.245 30.546 30.300 0.001 0.000 0.949 450 R HN 0.807 nan 8.270 nan 0.000 0.471 451 I N 0.755 121.325 120.570 -0.001 0.000 2.569 451 I HA 0.380 4.550 4.170 0.000 0.000 0.290 451 I C -1.594 174.489 176.117 -0.057 0.000 1.088 451 I CA -1.139 60.175 61.300 0.025 0.000 1.047 451 I CB 1.965 39.952 38.000 -0.022 0.000 1.237 451 I HN -0.123 nan 8.210 nan 0.000 0.421 452 M N 6.895 126.453 119.600 -0.070 0.000 2.321 452 M HA 0.547 5.027 4.480 0.000 0.000 0.315 452 M C -1.582 174.599 176.300 -0.198 0.000 1.052 452 M CA 0.144 55.317 55.300 -0.212 0.000 0.936 452 M CB 1.839 34.236 32.600 -0.339 0.000 1.639 452 M HN 0.500 nan 8.290 nan 0.000 0.433 453 T N 4.668 119.051 114.554 -0.285 0.000 2.847 453 T HA 0.394 4.744 4.350 0.000 0.000 0.291 453 T C -1.454 173.278 174.700 0.055 0.000 0.998 453 T CA -0.337 61.744 62.100 -0.032 0.000 0.967 453 T CB 0.594 69.514 68.868 0.086 0.000 0.954 453 T HN 0.574 nan 8.240 nan 0.000 0.441 454 W N 3.449 124.860 121.300 0.184 0.000 2.331 454 W HA 0.305 4.964 4.660 -0.000 0.000 0.306 454 W C -0.740 175.954 176.519 0.291 0.000 1.162 454 W CA -0.827 56.657 57.345 0.231 0.000 1.232 454 W CB 1.196 30.713 29.460 0.095 0.000 1.235 454 W HN 0.556 nan 8.180 nan 0.000 0.479 455 W N 3.941 125.471 121.300 0.384 0.000 2.393 455 W HA 0.369 5.029 4.660 -0.000 0.000 0.315 455 W C 0.770 177.547 176.519 0.430 0.000 1.009 455 W CA -1.237 56.313 57.345 0.342 0.000 1.313 455 W CB 1.030 30.651 29.460 0.268 0.000 1.269 455 W HN 0.733 nan 8.180 nan 0.000 0.420 456 G N 3.279 112.497 108.800 0.697 0.000 2.246 456 G HA2 -0.164 3.796 3.960 0.000 0.000 0.273 456 G HA3 -0.164 3.796 3.960 0.000 0.000 0.273 456 G C -0.171 174.983 174.900 0.423 0.000 1.055 456 G CA 0.309 45.714 45.100 0.509 0.000 0.851 456 G HN 1.308 nan 8.290 nan 0.000 0.500 457 C N -2.326 117.204 119.300 0.384 0.000 3.292 457 C HA 0.830 5.290 4.460 0.000 0.000 0.338 457 C C -0.501 174.620 174.990 0.217 0.000 1.323 457 C CA -1.088 58.147 59.018 0.361 0.000 1.232 457 C CB 1.907 29.958 27.740 0.519 0.000 1.517 457 C HN 0.781 nan 8.230 nan 0.000 0.470 458 N N 0.417 119.192 118.700 0.125 0.000 2.750 458 N HA 0.279 5.019 4.740 0.000 0.000 0.253 458 N C 0.087 175.572 175.510 -0.041 0.000 1.408 458 N CA -0.237 52.758 53.050 -0.091 0.000 0.780 458 N CB -0.225 38.220 38.487 -0.070 0.000 1.191 458 N HN 0.834 nan 8.380 nan 0.000 0.511 459 N N 0.456 119.122 118.700 -0.057 0.000 2.519 459 N HA -0.038 4.702 4.740 0.000 0.000 0.186 459 N C 0.766 176.386 175.510 0.183 0.000 1.062 459 N CA 0.594 53.747 53.050 0.171 0.000 0.910 459 N CB 0.062 38.837 38.487 0.480 0.000 0.958 459 N HN 0.457 nan 8.380 nan 0.000 0.445 460 F N 0.890 120.689 119.950 -0.252 0.000 2.365 460 F HA -0.115 4.412 4.527 0.000 0.000 0.300 460 F C 2.087 177.821 175.800 -0.110 0.000 1.090 460 F CA 0.646 58.529 58.000 -0.195 0.000 1.408 460 F CB 0.264 39.107 39.000 -0.261 0.000 1.060 460 F HN 0.152 nan 8.300 nan 0.000 0.534 461 Q N -1.455 118.396 119.800 0.085 0.000 2.214 461 Q HA 0.029 4.369 4.340 0.000 0.000 0.229 461 Q C 1.377 177.386 176.000 0.015 0.000 0.835 461 Q CA 0.895 56.698 55.803 0.001 0.000 0.953 461 Q CB 0.779 29.477 28.738 -0.066 0.000 1.131 461 Q HN 0.308 nan 8.270 nan 0.000 0.501 462 T N -3.952 110.660 114.554 0.097 0.000 3.058 462 T HA 0.269 4.619 4.350 0.000 0.000 0.278 462 T C 0.741 175.577 174.700 0.226 0.000 0.974 462 T CA -0.300 61.897 62.100 0.162 0.000 0.893 462 T CB 0.589 69.578 68.868 0.203 0.000 1.138 462 T HN -0.168 nan 8.240 nan 0.000 0.529 463 S N 3.588 119.425 115.700 0.228 0.000 2.600 463 S HA 0.381 4.851 4.470 0.000 0.000 0.265 463 S C 0.407 175.149 174.600 0.236 0.000 1.325 463 S CA -0.741 57.614 58.200 0.258 0.000 1.002 463 S CB 0.280 63.629 63.200 0.249 0.000 0.921 463 S HN 0.752 nan 8.310 nan 0.000 0.554 464 N N 1.834 120.603 118.700 0.114 0.000 2.530 464 N HA 0.077 4.817 4.740 0.000 0.000 0.277 464 N C -0.266 175.245 175.510 0.001 0.000 1.168 464 N CA -0.282 52.724 53.050 -0.074 0.000 0.979 464 N CB -0.161 38.020 38.487 -0.510 0.000 1.141 464 N HN 0.642 nan 8.380 nan 0.000 0.459 465 N N -0.622 118.061 118.700 -0.028 0.000 2.714 465 N HA -0.229 4.511 4.740 0.000 0.000 0.253 465 N C 0.402 175.954 175.510 0.070 0.000 1.024 465 N CA 0.743 53.811 53.050 0.030 0.000 0.726 465 N CB -1.129 37.389 38.487 0.051 0.000 0.908 465 N HN 0.737 nan 8.380 nan 0.000 0.542 466 A N 0.074 122.926 122.820 0.052 0.000 2.014 466 A HA -0.141 4.179 4.320 0.000 0.000 0.218 466 A C 1.935 179.504 177.584 -0.025 0.000 1.163 466 A CA 1.705 53.763 52.037 0.035 0.000 0.652 466 A CB -0.265 18.753 19.000 0.030 0.000 0.808 466 A HN 0.692 nan 8.150 nan 0.000 0.449 467 Q N -0.505 119.290 119.800 -0.007 0.000 2.119 467 Q HA -0.097 4.243 4.340 0.000 0.000 0.201 467 Q C 2.152 178.132 176.000 -0.034 0.000 0.972 467 Q CA 1.308 57.092 55.803 -0.033 0.000 0.847 467 Q CB -0.288 28.455 28.738 0.010 0.000 0.903 467 Q HN 0.630 nan 8.270 nan 0.000 0.433 468 A N 0.560 123.391 122.820 0.017 0.000 1.898 468 A HA -0.162 4.158 4.320 0.000 0.000 0.216 468 A C 1.944 179.527 177.584 -0.002 0.000 1.181 468 A CA 1.170 53.220 52.037 0.021 0.000 0.620 468 A CB -0.666 18.373 19.000 0.065 0.000 0.819 468 A HN 0.469 nan 8.150 nan 0.000 0.442 469 L N -0.099 121.130 121.223 0.010 0.000 1.994 469 L HA -0.141 4.200 4.340 0.000 0.000 0.208 469 L C 2.511 179.328 176.870 -0.089 0.000 1.071 469 L CA 1.960 56.821 54.840 0.034 0.000 0.745 469 L CB -0.522 41.610 42.059 0.121 0.000 0.892 469 L HN 0.321 nan 8.230 nan 0.000 0.431 470 R N -0.359 119.960 120.500 -0.302 0.000 2.083 470 R HA -0.186 4.154 4.340 0.000 0.000 0.237 470 R C 2.182 178.277 176.300 -0.342 0.000 1.137 470 R CA 1.917 57.619 56.100 -0.663 0.000 0.951 470 R CB -0.513 29.325 30.300 -0.771 0.000 0.851 470 R HN 0.547 nan 8.270 nan 0.000 0.434 471 E N 0.367 120.455 120.200 -0.187 0.000 2.085 471 E HA -0.190 4.160 4.350 0.000 0.000 0.194 471 E C 2.038 178.601 176.600 -0.061 0.000 0.994 471 E CA 1.289 57.627 56.400 -0.104 0.000 0.801 471 E CB -0.101 29.562 29.700 -0.063 0.000 0.743 471 E HN 0.367 nan 8.360 nan 0.000 0.453 472 A N 1.243 124.040 122.820 -0.038 0.000 1.873 472 A HA -0.162 4.158 4.320 0.000 0.000 0.215 472 A C 2.127 179.729 177.584 0.030 0.000 1.186 472 A CA 1.033 53.070 52.037 -0.001 0.000 0.616 472 A CB -0.384 18.625 19.000 0.015 0.000 0.823 472 A HN 0.110 nan 8.150 nan 0.000 0.442 473 I N -0.011 120.602 120.570 0.071 0.000 2.226 473 I HA -0.204 3.966 4.170 0.000 0.000 0.245 473 I C 2.430 178.623 176.117 0.127 0.000 1.100 473 I CA 1.180 62.588 61.300 0.179 0.000 1.374 473 I CB -1.451 36.804 38.000 0.426 0.000 1.057 473 I HN 0.270 nan 8.210 nan 0.000 0.413 474 L N 0.227 121.483 121.223 0.054 0.000 2.191 474 L HA -0.210 4.130 4.340 0.000 0.000 0.212 474 L C 2.675 179.549 176.870 0.007 0.000 1.103 474 L CA 1.085 55.939 54.840 0.024 0.000 0.769 474 L CB -0.470 41.570 42.059 -0.031 0.000 0.908 474 L HN 0.384 nan 8.230 nan 0.000 0.438 475 Q N 0.688 120.491 119.800 0.005 0.000 2.062 475 Q HA -0.142 4.198 4.340 0.000 0.000 0.196 475 Q C 2.247 178.254 176.000 0.013 0.000 0.967 475 Q CA 1.254 57.058 55.803 0.002 0.000 0.832 475 Q CB 0.056 28.791 28.738 -0.005 0.000 0.899 475 Q HN 0.437 nan 8.270 nan 0.000 0.442 476 R N 0.160 120.675 120.500 0.025 0.000 2.148 476 R HA -0.053 4.287 4.340 0.000 0.000 0.227 476 R C 2.544 178.880 176.300 0.061 0.000 1.103 476 R CA 1.278 57.395 56.100 0.028 0.000 0.983 476 R CB -0.228 30.085 30.300 0.023 0.000 0.874 476 R HN 0.217 nan 8.270 nan 0.000 0.451 477 S N 0.697 116.445 115.700 0.079 0.000 2.395 477 S HA -0.036 4.434 4.470 0.000 0.000 0.225 477 S C 2.117 176.789 174.600 0.121 0.000 1.027 477 S CA 0.854 59.132 58.200 0.131 0.000 0.965 477 S CB 0.018 63.200 63.200 -0.030 0.000 0.812 477 S HN 0.379 nan 8.310 nan 0.000 0.482 478 A N 1.519 124.357 122.820 0.031 0.000 1.972 478 A HA 0.045 4.365 4.320 0.000 0.000 0.219 478 A C 2.086 179.685 177.584 0.025 0.000 1.169 478 A CA 1.387 53.430 52.037 0.010 0.000 0.635 478 A CB -0.745 18.252 19.000 -0.005 0.000 0.810 478 A HN 0.647 nan 8.150 nan 0.000 0.446 479 I N -0.746 119.838 120.570 0.024 0.000 2.179 479 I HA -0.201 3.969 4.170 0.000 0.000 0.242 479 I C 2.311 178.427 176.117 -0.001 0.000 1.088 479 I CA 1.136 62.440 61.300 0.007 0.000 1.357 479 I CB -0.336 37.661 38.000 -0.004 0.000 1.051 479 I HN 0.149 nan 8.210 nan 0.000 0.409 480 V N 0.934 120.846 119.914 -0.004 0.000 2.427 480 V HA -0.260 3.860 4.120 0.000 0.000 0.248 480 V C 2.414 178.468 176.094 -0.067 0.000 1.051 480 V CA 1.713 63.962 62.300 -0.086 0.000 1.048 480 V CB -0.644 31.011 31.823 -0.280 0.000 0.666 480 V HN 0.378 nan 8.190 nan 0.000 0.456 481 K N -0.253 120.167 120.400 0.032 0.000 2.026 481 K HA -0.264 4.056 4.320 0.000 0.000 0.208 481 K C 2.282 178.913 176.600 0.051 0.000 1.048 481 K CA 1.873 58.203 56.287 0.071 0.000 0.929 481 K CB -0.220 32.313 32.500 0.054 0.000 0.713 481 K HN 0.506 nan 8.250 nan 0.000 0.439 482 Q N 0.652 120.470 119.800 0.031 0.000 2.084 482 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 482 Q C 2.014 178.022 176.000 0.014 0.000 0.978 482 Q CA 1.627 57.444 55.803 0.022 0.000 0.844 482 Q CB -0.113 28.633 28.738 0.013 0.000 0.898 482 Q HN 0.327 nan 8.270 nan 0.000 0.426 483 A N 0.774 123.597 122.820 0.004 0.000 1.877 483 A HA -0.194 4.126 4.320 0.000 0.000 0.216 483 A C 2.108 179.696 177.584 0.005 0.000 1.186 483 A CA 1.699 53.735 52.037 -0.001 0.000 0.620 483 A CB -0.601 18.391 19.000 -0.012 0.000 0.822 483 A HN 0.496 nan 8.150 nan 0.000 0.443 484 M N -1.395 118.211 119.600 0.009 0.000 2.108 484 M HA -0.220 4.260 4.480 0.000 0.000 0.261 484 M C 2.462 178.778 176.300 0.027 0.000 1.066 484 M CA 2.081 57.395 55.300 0.024 0.000 1.107 484 M CB -0.361 32.264 32.600 0.042 0.000 1.356 484 M HN 0.549 nan 8.290 nan 0.000 0.406 485 Q N 1.039 120.858 119.800 0.031 0.000 2.167 485 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 485 Q C 1.832 177.838 176.000 0.011 0.000 0.970 485 Q CA 1.662 57.478 55.803 0.022 0.000 0.855 485 Q CB -0.201 28.554 28.738 0.029 0.000 0.911 485 Q HN 0.375 nan 8.270 nan 0.000 0.438 486 K N -1.025 119.381 120.400 0.011 0.000 2.211 486 K HA 0.005 4.325 4.320 0.000 0.000 0.203 486 K C 0.788 177.390 176.600 0.004 0.000 1.050 486 K CA 1.061 57.351 56.287 0.005 0.000 0.945 486 K CB -0.069 32.433 32.500 0.004 0.000 0.732 486 K HN 0.221 nan 8.250 nan 0.000 0.451 487 A N 1.580 124.403 122.820 0.006 0.000 2.462 487 A HA 0.159 4.479 4.320 0.000 0.000 0.261 487 A C -0.239 177.348 177.584 0.006 0.000 1.323 487 A CA -0.443 51.597 52.037 0.005 0.000 0.913 487 A CB -0.023 18.980 19.000 0.005 0.000 1.028 487 A HN 0.081 nan 8.150 nan 0.000 0.511 488 R N -0.202 120.300 120.500 0.005 0.000 2.537 488 R HA 0.187 4.527 4.340 0.000 0.000 0.281 488 R C 1.268 177.568 176.300 -0.001 0.000 0.988 488 R CA 1.252 57.354 56.100 0.003 0.000 1.077 488 R CB -0.118 30.180 30.300 -0.002 0.000 0.932 488 R HN 0.994 nan 8.270 nan 0.000 0.409 489 G N 0.476 109.275 108.800 -0.002 0.000 2.176 489 G HA2 -0.271 3.689 3.960 0.000 0.000 0.232 489 G HA3 -0.271 3.689 3.960 0.000 0.000 0.232 489 G C 0.248 175.142 174.900 -0.009 0.000 0.986 489 G CA 0.094 45.189 45.100 -0.008 0.000 0.643 489 G HN 0.885 nan 8.290 nan 0.000 0.522 490 A N 0.447 123.265 122.820 -0.003 0.000 2.313 490 A HA 0.785 5.105 4.320 0.000 0.000 0.261 490 A C 1.065 178.644 177.584 -0.009 0.000 1.090 490 A CA 1.022 53.056 52.037 -0.005 0.000 0.807 490 A CB 0.231 19.231 19.000 -0.001 0.000 1.055 490 A HN 1.723 nan 8.150 nan 0.000 0.492 491 T N -1.564 112.981 114.554 -0.015 0.000 2.828 491 T HA 0.283 4.633 4.350 0.000 0.000 0.290 491 T C 1.186 175.881 174.700 -0.009 0.000 1.019 491 T CA 0.374 62.461 62.100 -0.023 0.000 1.031 491 T CB 0.467 69.318 68.868 -0.027 0.000 1.001 491 T HN 0.507 nan 8.240 nan 0.000 0.531 492 T N 1.125 115.674 114.554 -0.008 0.000 2.759 492 T HA -0.104 4.246 4.350 0.000 0.000 0.269 492 T C 1.773 176.470 174.700 -0.004 0.000 1.042 492 T CA 1.857 63.975 62.100 0.031 0.000 1.140 492 T CB -0.414 68.487 68.868 0.054 0.000 0.864 492 T HN 0.735 nan 8.240 nan 0.000 0.455 493 E N 1.139 121.324 120.200 -0.025 0.000 2.072 493 E HA -0.074 4.276 4.350 0.000 0.000 0.191 493 E C 2.271 178.845 176.600 -0.044 0.000 0.985 493 E CA 0.982 57.355 56.400 -0.045 0.000 0.801 493 E CB -0.176 29.495 29.700 -0.048 0.000 0.750 493 E HN 0.593 nan 8.360 nan 0.000 0.452 494 E N -0.239 119.943 120.200 -0.029 0.000 2.106 494 E HA -0.160 4.190 4.350 0.000 0.000 0.192 494 E C 1.882 178.471 176.600 -0.019 0.000 0.984 494 E CA 0.958 57.344 56.400 -0.023 0.000 0.806 494 E CB -0.104 29.586 29.700 -0.017 0.000 0.750 494 E HN 0.143 nan 8.360 nan 0.000 0.458 495 M N 0.634 120.226 119.600 -0.013 0.000 2.175 495 M HA -0.108 4.372 4.480 0.000 0.000 0.264 495 M C 2.024 178.302 176.300 -0.036 0.000 1.063 495 M CA 1.162 56.457 55.300 -0.008 0.000 1.119 495 M CB 0.007 32.620 32.600 0.020 0.000 1.377 495 M HN -0.074 nan 8.290 nan 0.000 0.415 496 V N 0.501 120.379 119.914 -0.061 0.000 2.343 496 V HA -0.276 3.844 4.120 0.000 0.000 0.247 496 V C 1.912 177.973 176.094 -0.056 0.000 1.051 496 V CA 2.061 64.298 62.300 -0.105 0.000 1.036 496 V CB -0.932 30.811 31.823 -0.133 0.000 0.654 496 V HN 0.412 nan 8.190 nan 0.000 0.451 497 D N -0.133 120.244 120.400 -0.038 0.000 2.117 497 D HA -0.119 4.521 4.640 0.000 0.000 0.198 497 D C 2.185 178.511 176.300 0.044 0.000 0.982 497 D CA 1.179 55.181 54.000 0.002 0.000 0.828 497 D CB -0.346 40.444 40.800 -0.018 0.000 0.967 497 D HN 0.299 nan 8.370 nan 0.000 0.464 498 V N 1.219 121.141 119.914 0.013 0.000 2.343 498 V HA -0.210 3.910 4.120 0.000 0.000 0.247 498 V C 2.479 178.577 176.094 0.007 0.000 1.051 498 V CA 1.101 63.407 62.300 0.010 0.000 1.036 498 V CB -0.292 31.532 31.823 0.001 0.000 0.654 498 V HN 0.196 nan 8.190 nan 0.000 0.451 499 I N -1.345 119.222 120.570 -0.004 0.000 2.252 499 I HA -0.252 3.918 4.170 0.000 0.000 0.245 499 I C 2.399 178.512 176.117 -0.007 0.000 1.102 499 I CA 1.815 63.102 61.300 -0.021 0.000 1.385 499 I CB -0.418 37.536 38.000 -0.078 0.000 1.064 499 I HN 0.342 nan 8.210 nan 0.000 0.414 500 Y N 1.706 121.948 120.300 -0.096 0.000 2.181 500 Y HA -0.308 4.242 4.550 0.000 0.000 0.288 500 Y C 2.568 178.438 175.900 -0.050 0.000 1.146 500 Y CA 2.062 60.114 58.100 -0.081 0.000 1.164 500 Y CB -0.210 38.198 38.460 -0.087 0.000 0.982 500 Y HN 0.178 nan 8.280 nan 0.000 0.515 501 E N -0.194 120.021 120.200 0.024 0.000 2.077 501 E HA -0.225 4.126 4.350 0.000 0.000 0.193 501 E C 2.277 178.818 176.600 -0.100 0.000 0.989 501 E CA 1.062 57.442 56.400 -0.034 0.000 0.800 501 E CB -0.321 29.393 29.700 0.024 0.000 0.746 501 E HN 0.546 nan 8.360 nan 0.000 0.452 502 A N 0.493 123.267 122.820 -0.077 0.000 1.940 502 A HA -0.196 4.124 4.320 0.000 0.000 0.219 502 A C 2.390 179.909 177.584 -0.108 0.000 1.176 502 A CA 2.212 54.205 52.037 -0.074 0.000 0.631 502 A CB -1.103 17.865 19.000 -0.052 0.000 0.814 502 A HN 0.514 nan 8.150 nan 0.000 0.446 503 T N -3.161 111.291 114.554 -0.171 0.000 3.085 503 T HA -0.030 4.321 4.350 0.000 0.000 0.263 503 T C 1.564 176.120 174.700 -0.240 0.000 1.127 503 T CA 1.300 63.282 62.100 -0.197 0.000 1.103 503 T CB -0.178 68.549 68.868 -0.236 0.000 0.921 503 T HN 0.567 nan 8.240 nan 0.000 0.510 504 Q N 0.575 120.214 119.800 -0.267 0.000 2.425 504 Q HA 0.201 4.541 4.340 0.000 0.000 0.204 504 Q C 0.460 176.390 176.000 -0.115 0.000 0.933 504 Q CA 0.177 55.853 55.803 -0.212 0.000 0.939 504 Q CB 0.320 28.931 28.738 -0.211 0.000 1.044 504 Q HN 0.438 nan 8.270 nan 0.000 0.513 505 N N -0.802 117.839 118.700 -0.099 0.000 2.467 505 N HA 0.163 4.903 4.740 0.000 0.000 0.278 505 N C 0.179 175.656 175.510 -0.054 0.000 1.306 505 N CA 0.615 53.628 53.050 -0.062 0.000 0.905 505 N CB 1.475 39.934 38.487 -0.048 0.000 1.236 505 N HN 0.274 nan 8.380 nan 0.000 0.509 506 G N -0.594 108.168 108.800 -0.064 0.000 2.241 506 G HA2 -0.241 3.719 3.960 0.000 0.000 0.244 506 G HA3 -0.241 3.719 3.960 0.000 0.000 0.244 506 G C 0.592 175.463 174.900 -0.049 0.000 0.998 506 G CA -0.083 44.986 45.100 -0.052 0.000 0.621 506 G HN 0.607 nan 8.290 nan 0.000 0.519 507 G N -0.590 108.178 108.800 -0.054 0.000 2.667 507 G HA2 0.615 4.575 3.960 0.000 0.000 0.250 507 G HA3 0.615 4.575 3.960 0.000 0.000 0.250 507 G C -0.598 174.282 174.900 -0.034 0.000 1.212 507 G CA 0.366 45.446 45.100 -0.034 0.000 0.874 507 G HN 1.279 nan 8.290 nan 0.000 0.561 508 L N -0.205 121.029 121.223 0.019 0.000 2.516 508 L HA 0.575 4.915 4.340 0.000 0.000 0.267 508 L C -1.307 175.653 176.870 0.151 0.000 0.957 508 L CA -0.887 53.977 54.840 0.040 0.000 0.860 508 L CB 1.804 43.873 42.059 0.017 0.000 1.265 508 L HN 0.477 nan 8.230 nan 0.000 0.403 509 F N 5.637 125.588 119.950 0.002 0.000 2.420 509 F HA 0.662 5.189 4.527 -0.000 0.000 0.352 509 F C -0.580 175.344 175.800 0.207 0.000 1.108 509 F CA -0.115 57.925 58.000 0.066 0.000 1.162 509 F CB 1.019 39.989 39.000 -0.049 0.000 1.118 509 F HN 0.259 nan 8.300 nan 0.000 0.510 510 V N 5.458 125.310 119.914 -0.103 0.000 2.448 510 V HA 0.441 4.561 4.120 0.000 0.000 0.295 510 V C -0.259 175.743 176.094 -0.154 0.000 1.025 510 V CA -0.520 61.740 62.300 -0.068 0.000 0.859 510 V CB 1.762 33.572 31.823 -0.021 0.000 0.988 510 V HN 0.854 nan 8.190 nan 0.000 0.431 511 T N 3.008 117.610 114.554 0.081 0.000 2.863 511 T HA 0.532 4.882 4.350 0.000 0.000 0.285 511 T C -0.491 174.284 174.700 0.124 0.000 1.009 511 T CA -0.503 61.674 62.100 0.128 0.000 0.989 511 T CB 1.729 70.796 68.868 0.332 0.000 1.004 511 T HN 0.616 nan 8.240 nan 0.000 0.455 512 S N 2.157 117.869 115.700 0.021 0.000 2.605 512 S HA 0.631 5.101 4.470 0.000 0.000 0.308 512 S C -0.863 173.662 174.600 -0.126 0.000 1.113 512 S CA -0.741 57.460 58.200 0.003 0.000 1.049 512 S CB 0.180 63.343 63.200 -0.063 0.000 1.001 512 S HN 0.582 nan 8.310 nan 0.000 0.480 513 I N 5.645 126.120 120.570 -0.158 0.000 2.337 513 I HA 0.443 4.613 4.170 0.000 0.000 0.285 513 I C 0.270 176.348 176.117 -0.065 0.000 1.041 513 I CA -0.467 60.666 61.300 -0.280 0.000 1.199 513 I CB 0.746 38.252 38.000 -0.823 0.000 1.370 513 I HN 0.567 nan 8.210 nan 0.000 0.470 514 N N 4.561 123.216 118.700 -0.075 0.000 3.157 514 N HA 0.489 5.229 4.740 0.000 0.000 0.291 514 N C 0.140 175.586 175.510 -0.107 0.000 1.515 514 N CA -0.563 52.461 53.050 -0.044 0.000 0.807 514 N CB 2.170 40.624 38.487 -0.055 0.000 1.672 514 N HN 0.354 nan 8.380 nan 0.000 0.592 515 L N -0.076 121.061 121.223 -0.142 0.000 2.463 515 L HA 0.294 4.634 4.340 0.000 0.000 0.219 515 L C -0.210 176.350 176.870 -0.516 0.000 1.088 515 L CA 0.400 55.040 54.840 -0.333 0.000 0.849 515 L CB 0.083 41.930 42.059 -0.354 0.000 1.012 515 L HN 0.434 nan 8.230 nan 0.000 0.468 516 Y N -1.862 118.391 120.300 -0.077 0.000 2.669 516 Y HA 0.324 4.874 4.550 -0.000 0.000 0.335 516 Y C -1.817 174.006 175.900 -0.127 0.000 1.116 516 Y CA -1.780 56.291 58.100 -0.049 0.000 1.081 516 Y CB 0.621 39.135 38.460 0.090 0.000 1.297 516 Y HN -0.322 nan 8.280 nan 0.000 0.484 517 P HA -0.082 nan 4.420 nan 0.000 0.214 517 P C 0.030 177.247 177.300 -0.138 0.000 1.162 517 P CA 2.523 65.515 63.100 -0.180 0.000 0.879 517 P CB 0.012 31.591 31.700 -0.202 0.000 0.786 518 T N -3.701 110.823 114.554 -0.050 0.000 0.541 518 T HA -0.250 4.100 4.350 0.000 0.000 0.774 518 T C 0.930 175.563 174.700 -0.112 0.000 0.992 518 T CA 0.703 62.752 62.100 -0.084 0.000 4.077 518 T CB -1.357 67.451 68.868 -0.101 0.000 2.303 518 T HN 0.218 nan 8.240 nan 0.000 0.398 519 K N 0.100 120.435 120.400 -0.108 0.000 2.209 519 K HA 0.053 4.373 4.320 0.000 0.000 0.204 519 K C 2.366 178.892 176.600 -0.122 0.000 1.048 519 K CA 1.724 57.984 56.287 -0.045 0.000 0.940 519 K CB -0.469 32.052 32.500 0.035 0.000 0.729 519 K HN 0.590 nan 8.250 nan 0.000 0.451 520 L N 0.252 121.253 121.223 -0.369 0.000 2.261 520 L HA -0.176 4.164 4.340 0.000 0.000 0.216 520 L C 2.272 178.952 176.870 -0.318 0.000 1.114 520 L CA 0.922 55.365 54.840 -0.663 0.000 0.777 520 L CB -0.494 41.179 42.059 -0.643 0.000 0.910 520 L HN 0.231 nan 8.230 nan 0.000 0.440 521 A N -0.402 122.321 122.820 -0.162 0.000 2.172 521 A HA -0.161 4.159 4.320 0.000 0.000 0.216 521 A C 2.109 179.855 177.584 0.271 0.000 1.154 521 A CA 1.093 53.140 52.037 0.016 0.000 0.701 521 A CB -0.307 18.594 19.000 -0.164 0.000 0.789 521 A HN 0.468 nan 8.150 nan 0.000 0.465 522 E N -0.741 119.526 120.200 0.112 0.000 2.158 522 E HA 0.021 4.371 4.350 0.000 0.000 0.191 522 E C 1.932 178.543 176.600 0.018 0.000 0.982 522 E CA 0.871 57.344 56.400 0.122 0.000 0.823 522 E CB -0.052 29.740 29.700 0.153 0.000 0.766 522 E HN 0.631 nan 8.360 nan 0.000 0.468 523 A N 0.768 123.579 122.820 -0.015 0.000 2.127 523 A HA 0.455 4.775 4.320 0.000 0.000 0.204 523 A C 1.125 178.485 177.584 -0.374 0.000 1.243 523 A CA 0.183 52.142 52.037 -0.130 0.000 0.887 523 A CB 0.321 19.384 19.000 0.106 0.000 0.933 523 A HN 0.186 nan 8.150 nan 0.000 0.479 524 A N -0.347 122.348 122.820 -0.208 0.000 2.425 524 A HA 0.412 4.732 4.320 0.000 0.000 0.242 524 A C 0.472 177.868 177.584 -0.314 0.000 1.077 524 A CA 0.389 52.315 52.037 -0.186 0.000 0.781 524 A CB -0.146 18.899 19.000 0.075 0.000 1.020 524 A HN 0.592 nan 8.150 nan 0.000 0.494 525 H N -0.132 118.839 119.070 -0.166 0.000 2.729 525 H HA 0.404 4.960 4.556 -0.000 0.000 0.263 525 H C -0.350 174.990 175.328 0.020 0.000 0.961 525 H CA 0.301 56.178 56.048 -0.285 0.000 1.217 525 H CB 0.585 29.944 29.762 -0.672 0.000 1.447 525 H HN 0.412 nan 8.280 nan 0.000 0.496 526 L N 0.953 122.297 121.223 0.202 0.000 2.455 526 L HA 0.487 4.827 4.340 0.000 0.000 0.264 526 L C -1.873 175.065 176.870 0.114 0.000 0.968 526 L CA -0.628 54.369 54.840 0.262 0.000 0.827 526 L CB 1.861 44.090 42.059 0.283 0.000 1.317 526 L HN -0.008 nan 8.230 nan 0.000 0.407 527 M N 6.061 125.651 119.600 -0.017 0.000 2.327 527 M HA 0.518 4.998 4.480 0.000 0.000 0.298 527 M C -1.506 174.621 176.300 -0.289 0.000 1.065 527 M CA -0.511 54.664 55.300 -0.209 0.000 0.916 527 M CB 2.231 34.596 32.600 -0.391 0.000 1.630 527 M HN 0.402 nan 8.290 nan 0.000 0.442 528 L N 4.795 125.826 121.223 -0.320 0.000 2.313 528 L HA 0.554 4.894 4.340 0.000 0.000 0.283 528 L C -2.172 174.572 176.870 -0.211 0.000 1.013 528 L CA -1.938 52.667 54.840 -0.392 0.000 0.816 528 L CB 1.596 43.409 42.059 -0.409 0.000 1.236 528 L HN 0.341 nan 8.230 nan 0.000 0.419 529 P HA 0.169 nan 4.420 nan 0.000 0.276 529 P C -0.733 176.603 177.300 0.060 0.000 1.264 529 P CA -0.019 63.046 63.100 -0.058 0.000 0.769 529 P CB 1.500 33.163 31.700 -0.062 0.000 0.840 530 A N 3.861 126.674 122.820 -0.012 0.000 2.261 530 A HA 0.819 5.139 4.320 0.000 0.000 0.323 530 A C -0.376 177.180 177.584 -0.046 0.000 1.107 530 A CA -0.603 51.453 52.037 0.032 0.000 0.883 530 A CB 0.968 20.007 19.000 0.065 0.000 1.251 530 A HN 0.574 nan 8.150 nan 0.000 0.502 531 A N 0.009 122.817 122.820 -0.021 0.000 2.371 531 A HA 0.687 5.007 4.320 0.000 0.000 0.311 531 A C -0.290 177.295 177.584 0.001 0.000 1.068 531 A CA -0.506 51.497 52.037 -0.058 0.000 0.744 531 A CB 0.428 19.409 19.000 -0.032 0.000 1.239 531 A HN 1.183 nan 8.150 nan 0.000 0.435 532 H N 0.141 119.170 119.070 -0.069 0.000 2.570 532 H HA 0.640 5.196 4.556 -0.000 0.000 0.342 532 H C -2.680 172.521 175.328 -0.212 0.000 1.245 532 H CA -2.630 53.333 56.048 -0.143 0.000 1.318 532 H CB 0.715 30.435 29.762 -0.070 0.000 1.694 532 H HN 0.298 nan 8.280 nan 0.000 0.592 533 P HA -0.046 nan 4.420 nan 0.000 0.260 533 P C 0.815 178.056 177.300 -0.098 0.000 1.172 533 P CA 2.295 65.206 63.100 -0.314 0.000 0.760 533 P CB 0.550 31.928 31.700 -0.537 0.000 0.773 534 G N 3.072 111.833 108.800 -0.065 0.000 2.284 534 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 534 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 534 G C 0.841 175.466 174.900 -0.459 0.000 1.009 534 G CA -0.170 44.827 45.100 -0.172 0.000 0.625 534 G HN 0.534 nan 8.290 nan 0.000 0.501 535 E N 0.287 120.370 120.200 -0.194 0.000 2.472 535 E HA 0.409 4.759 4.350 0.000 0.000 0.196 535 E C 1.088 177.614 176.600 -0.123 0.000 1.033 535 E CA 0.835 57.130 56.400 -0.175 0.000 0.886 535 E CB 0.164 29.838 29.700 -0.042 0.000 0.944 535 E HN 0.777 nan 8.360 nan 0.000 0.492 536 M N -1.571 117.968 119.600 -0.101 0.000 2.773 536 M HA 0.439 4.919 4.480 0.000 0.000 0.270 536 M C -1.580 174.671 176.300 -0.082 0.000 1.238 536 M CA -1.108 54.151 55.300 -0.069 0.000 0.832 536 M CB 1.581 34.156 32.600 -0.041 0.000 1.672 536 M HN -0.370 nan 8.290 nan 0.000 0.480 537 N N 1.249 119.911 118.700 -0.064 0.000 2.524 537 N HA 0.795 5.535 4.740 0.000 0.000 0.283 537 N C -1.564 173.845 175.510 -0.168 0.000 1.142 537 N CA -0.283 52.683 53.050 -0.141 0.000 0.984 537 N CB 2.111 40.541 38.487 -0.094 0.000 1.155 537 N HN 0.737 nan 8.380 nan 0.000 0.467 538 L N 0.435 121.496 121.223 -0.269 0.000 2.549 538 L HA 0.377 4.717 4.340 0.000 0.000 0.259 538 L C -0.824 175.887 176.870 -0.264 0.000 0.934 538 L CA -0.492 54.219 54.840 -0.215 0.000 0.865 538 L CB 2.011 43.970 42.059 -0.167 0.000 1.352 538 L HN 0.630 nan 8.230 nan 0.000 0.410 539 T N 0.232 114.672 114.554 -0.190 0.000 2.888 539 T HA 0.899 5.249 4.350 0.000 0.000 0.284 539 T C -0.384 174.374 174.700 0.096 0.000 1.017 539 T CA -0.630 61.406 62.100 -0.106 0.000 1.022 539 T CB 1.859 70.606 68.868 -0.201 0.000 1.013 539 T HN 0.581 nan 8.240 nan 0.000 0.465 540 S N 1.046 116.815 115.700 0.114 0.000 2.595 540 S HA 0.604 5.074 4.470 0.000 0.000 0.270 540 S C -1.006 173.686 174.600 0.154 0.000 1.145 540 S CA -1.075 57.142 58.200 0.029 0.000 0.825 540 S CB 1.470 64.621 63.200 -0.081 0.000 1.107 540 S HN 1.103 nan 8.310 nan 0.000 0.461 541 M N 1.576 121.262 119.600 0.142 0.000 2.724 541 M HA 0.735 5.215 4.480 0.000 0.000 0.310 541 M C -0.361 175.971 176.300 0.054 0.000 1.217 541 M CA -0.756 54.625 55.300 0.135 0.000 0.894 541 M CB 1.371 34.111 32.600 0.233 0.000 1.719 541 M HN 0.681 nan 8.290 nan 0.000 0.479 542 N N 0.766 119.463 118.700 -0.006 0.000 2.717 542 N HA 0.410 5.150 4.740 0.000 0.000 0.314 542 N C 0.823 176.296 175.510 -0.061 0.000 1.324 542 N CA -0.118 52.914 53.050 -0.030 0.000 0.902 542 N CB -0.370 38.063 38.487 -0.090 0.000 1.126 542 N HN 0.909 nan 8.380 nan 0.000 0.579 543 G N -1.526 107.246 108.800 -0.046 0.000 2.586 543 G HA2 -0.154 3.806 3.960 0.000 0.000 0.215 543 G HA3 -0.154 3.806 3.960 0.000 0.000 0.215 543 G C 0.316 175.135 174.900 -0.136 0.000 1.128 543 G CA 0.720 45.840 45.100 0.032 0.000 0.774 543 G HN 0.806 nan 8.290 nan 0.000 0.543 544 E N -0.773 119.147 120.200 -0.467 0.000 2.734 544 E HA 0.338 4.688 4.350 0.000 0.000 0.211 544 E C 0.547 177.020 176.600 -0.213 0.000 0.991 544 E CA -0.839 55.331 56.400 -0.383 0.000 1.065 544 E CB 0.166 29.457 29.700 -0.682 0.000 1.047 544 E HN 0.241 nan 8.360 nan 0.000 0.470 545 R N 0.897 121.323 120.500 -0.124 0.000 3.651 545 R HA -0.194 4.146 4.340 0.000 0.000 0.292 545 R C -0.137 176.147 176.300 -0.026 0.000 1.161 545 R CA 0.563 56.649 56.100 -0.023 0.000 0.787 545 R CB -1.984 28.317 30.300 0.001 0.000 1.249 545 R HN 0.233 nan 8.270 nan 0.000 0.476 546 R N 1.798 122.245 120.500 -0.088 0.000 2.308 546 R HA 0.289 4.629 4.340 0.000 0.000 0.325 546 R C 0.139 176.434 176.300 -0.009 0.000 1.161 546 R CA -0.274 55.783 56.100 -0.072 0.000 1.022 546 R CB 0.399 30.611 30.300 -0.146 0.000 1.091 546 R HN 0.266 nan 8.270 nan 0.000 0.497 547 I N 3.997 124.589 120.570 0.037 0.000 2.474 547 I HA 0.241 4.411 4.170 0.000 0.000 0.287 547 I C -0.590 175.524 176.117 -0.006 0.000 1.048 547 I CA -0.196 61.144 61.300 0.068 0.000 1.383 547 I CB 0.375 38.426 38.000 0.086 0.000 1.412 547 I HN 0.608 nan 8.210 nan 0.000 0.531 548 R N 5.427 125.910 120.500 -0.027 0.000 2.836 548 R HA 0.594 4.934 4.340 0.000 0.000 0.269 548 R C -1.680 174.528 176.300 -0.153 0.000 1.010 548 R CA -0.729 55.322 56.100 -0.082 0.000 0.930 548 R CB 1.628 31.888 30.300 -0.065 0.000 1.218 548 R HN 0.589 nan 8.270 nan 0.000 0.473 549 L N 0.229 121.325 121.223 -0.212 0.000 2.296 549 L HA 0.600 4.940 4.340 0.000 0.000 0.286 549 L C -0.949 175.772 176.870 -0.248 0.000 1.023 549 L CA 0.232 54.869 54.840 -0.339 0.000 0.812 549 L CB 1.946 43.716 42.059 -0.481 0.000 1.223 549 L HN 0.512 nan 8.230 nan 0.000 0.421 550 S N 3.958 119.515 115.700 -0.238 0.000 2.438 550 S HA 0.395 4.865 4.470 0.000 0.000 0.293 550 S C -0.505 173.999 174.600 -0.160 0.000 1.141 550 S CA -0.584 57.528 58.200 -0.146 0.000 1.080 550 S CB 0.477 63.609 63.200 -0.114 0.000 0.978 550 S HN 0.655 nan 8.310 nan 0.000 0.479 551 E N 2.148 122.297 120.200 -0.085 0.000 2.301 551 E HA 0.174 4.524 4.350 0.000 0.000 0.275 551 E C -0.117 176.503 176.600 0.032 0.000 1.030 551 E CA -0.612 55.754 56.400 -0.057 0.000 0.852 551 E CB 0.997 30.680 29.700 -0.029 0.000 1.060 551 E HN 0.412 nan 8.360 nan 0.000 0.401 552 K N 2.395 122.785 120.400 -0.017 0.000 2.382 552 K HA 0.058 4.378 4.320 0.000 0.000 0.275 552 K C -0.254 176.365 176.600 0.032 0.000 1.009 552 K CA 0.090 56.346 56.287 -0.052 0.000 0.970 552 K CB 0.308 32.762 32.500 -0.076 0.000 0.934 552 K HN 0.618 nan 8.250 nan 0.000 0.479 553 F N 2.354 122.269 119.950 -0.057 0.000 2.974 553 F HA 0.266 4.793 4.527 -0.000 0.000 0.357 553 F C -0.575 175.166 175.800 -0.099 0.000 1.114 553 F CA -0.835 57.119 58.000 -0.075 0.000 1.099 553 F CB 0.038 39.001 39.000 -0.062 0.000 1.205 553 F HN 0.427 nan 8.300 nan 0.000 0.535 554 M N -0.555 118.705 119.600 -0.566 0.000 2.773 554 M HA 0.549 5.029 4.480 0.000 0.000 0.270 554 M C -1.985 174.109 176.300 -0.342 0.000 1.238 554 M CA -0.785 54.267 55.300 -0.413 0.000 0.832 554 M CB 2.123 34.437 32.600 -0.477 0.000 1.672 554 M HN -0.215 nan 8.290 nan 0.000 0.480 555 D N 1.757 121.978 120.400 -0.299 0.000 2.264 555 D HA 0.556 5.196 4.640 0.000 0.000 0.249 555 D C -2.519 173.630 176.300 -0.253 0.000 1.070 555 D CA -0.821 52.937 54.000 -0.404 0.000 0.912 555 D CB 1.271 41.529 40.800 -0.904 0.000 1.193 555 D HN 0.348 nan 8.370 nan 0.000 0.427 556 P HA 0.196 nan 4.420 nan 0.000 0.274 556 P C -2.481 174.789 177.300 -0.050 0.000 1.237 556 P CA -1.198 61.844 63.100 -0.097 0.000 0.793 556 P CB -0.045 31.617 31.700 -0.064 0.000 0.977 557 P HA -0.004 nan 4.420 nan 0.000 0.268 557 P C 0.839 178.017 177.300 -0.203 0.000 1.204 557 P CA 0.808 63.566 63.100 -0.571 0.000 0.768 557 P CB 0.182 31.049 31.700 -1.388 0.000 0.842 558 G N 4.047 112.792 108.800 -0.090 0.000 2.672 558 G HA2 -0.351 3.609 3.960 0.000 0.000 0.324 558 G HA3 -0.351 3.609 3.960 0.000 0.000 0.324 558 G C 0.807 175.691 174.900 -0.026 0.000 1.286 558 G CA 1.320 46.370 45.100 -0.082 0.000 1.004 558 G HN 0.735 nan 8.290 nan 0.000 0.548 559 T N -0.864 113.716 114.554 0.044 0.000 3.206 559 T HA 0.677 5.027 4.350 0.000 0.000 0.253 559 T C 0.983 175.825 174.700 0.236 0.000 1.042 559 T CA 1.165 63.357 62.100 0.155 0.000 0.931 559 T CB 0.028 69.078 68.868 0.304 0.000 1.029 559 T HN 1.871 nan 8.240 nan 0.000 0.564 560 A N 2.453 125.349 122.820 0.128 0.000 2.507 560 A HA 0.627 4.947 4.320 0.000 0.000 0.235 560 A C 0.322 177.951 177.584 0.074 0.000 1.070 560 A CA -0.374 51.730 52.037 0.113 0.000 0.768 560 A CB -0.139 18.837 19.000 -0.040 0.000 1.011 560 A HN 0.881 nan 8.150 nan 0.000 0.502 561 M N 0.114 119.760 119.600 0.076 0.000 2.683 561 M HA 0.741 5.221 4.480 0.000 0.000 0.274 561 M C -0.267 176.064 176.300 0.052 0.000 1.272 561 M CA -0.620 54.687 55.300 0.011 0.000 0.833 561 M CB 1.725 34.264 32.600 -0.102 0.000 1.708 561 M HN 1.053 nan 8.290 nan 0.000 0.463 562 A N 1.210 124.058 122.820 0.047 0.000 2.531 562 A HA 0.132 4.452 4.320 0.000 0.000 0.236 562 A C 0.551 178.234 177.584 0.166 0.000 1.062 562 A CA 0.171 52.256 52.037 0.080 0.000 0.760 562 A CB -0.233 18.807 19.000 0.067 0.000 0.995 562 A HN 0.961 nan 8.150 nan 0.000 0.501 563 D N 1.388 121.912 120.400 0.207 0.000 2.133 563 D HA -0.215 4.425 4.640 0.000 0.000 0.195 563 D C 2.131 178.665 176.300 0.389 0.000 0.997 563 D CA 2.227 56.465 54.000 0.396 0.000 0.840 563 D CB -0.459 40.562 40.800 0.369 0.000 0.947 563 D HN 0.850 nan 8.370 nan 0.000 0.452 564 C N 0.446 119.910 119.300 0.273 0.000 2.411 564 C HA -0.021 4.439 4.460 0.000 0.000 0.279 564 C C 2.819 178.092 174.990 0.471 0.000 1.288 564 C CA -0.050 59.179 59.018 0.352 0.000 1.764 564 C CB -1.548 26.351 27.740 0.265 0.000 1.974 564 C HN 0.240 nan 8.230 nan 0.000 0.498 565 L N 0.374 121.798 121.223 0.334 0.000 2.179 565 L HA 0.081 4.421 4.340 0.000 0.000 0.208 565 L C 2.787 179.758 176.870 0.167 0.000 1.096 565 L CA 1.075 56.076 54.840 0.267 0.000 0.779 565 L CB -0.466 41.675 42.059 0.137 0.000 0.922 565 L HN 0.287 nan 8.230 nan 0.000 0.443 566 I N 0.287 120.986 120.570 0.215 0.000 2.315 566 I HA -0.239 3.931 4.170 0.000 0.000 0.248 566 I C 2.817 179.105 176.117 0.285 0.000 1.117 566 I CA 1.050 62.464 61.300 0.191 0.000 1.404 566 I CB -0.380 37.814 38.000 0.323 0.000 1.071 566 I HN 0.180 nan 8.210 nan 0.000 0.419 567 A N 0.848 123.943 122.820 0.459 0.000 1.902 567 A HA -0.159 4.161 4.320 0.000 0.000 0.217 567 A C 2.544 180.200 177.584 0.120 0.000 1.181 567 A CA 1.867 54.148 52.037 0.406 0.000 0.623 567 A CB -0.754 18.467 19.000 0.368 0.000 0.818 567 A HN 0.424 nan 8.150 nan 0.000 0.443 568 A N -0.416 122.504 122.820 0.167 0.000 1.930 568 A HA -0.106 4.214 4.320 0.000 0.000 0.217 568 A C 2.167 179.711 177.584 -0.067 0.000 1.175 568 A CA 1.924 53.963 52.037 0.003 0.000 0.627 568 A CB -0.414 18.622 19.000 0.061 0.000 0.815 568 A HN 0.457 nan 8.150 nan 0.000 0.443 569 R N 0.115 120.602 120.500 -0.021 0.000 2.096 569 R HA -0.031 4.309 4.340 0.000 0.000 0.235 569 R C 1.709 177.995 176.300 -0.023 0.000 1.127 569 R CA 1.703 57.771 56.100 -0.053 0.000 0.968 569 R CB -0.604 29.615 30.300 -0.135 0.000 0.861 569 R HN 0.586 nan 8.270 nan 0.000 0.440 570 I N -0.234 120.337 120.570 0.002 0.000 2.233 570 I HA -0.159 4.011 4.170 0.000 0.000 0.243 570 I C 2.295 178.344 176.117 -0.113 0.000 1.093 570 I CA 1.171 62.486 61.300 0.026 0.000 1.380 570 I CB -0.395 37.691 38.000 0.143 0.000 1.067 570 I HN 0.269 nan 8.210 nan 0.000 0.413 571 A N 0.980 123.646 122.820 -0.258 0.000 1.933 571 A HA -0.196 4.124 4.320 0.000 0.000 0.218 571 A C 2.037 179.488 177.584 -0.221 0.000 1.175 571 A CA 1.800 53.604 52.037 -0.388 0.000 0.628 571 A CB -0.610 17.718 19.000 -1.119 0.000 0.814 571 A HN 0.419 nan 8.150 nan 0.000 0.444 572 N N 0.181 118.789 118.700 -0.154 0.000 2.331 572 N HA -0.014 4.726 4.740 0.000 0.000 0.180 572 N C 1.785 177.255 175.510 -0.067 0.000 1.019 572 N CA 1.253 54.262 53.050 -0.068 0.000 0.881 572 N CB -0.388 38.074 38.487 -0.043 0.000 0.972 572 N HN 0.475 nan 8.380 nan 0.000 0.435 573 A N 0.869 123.638 122.820 -0.084 0.000 1.968 573 A HA 0.046 4.367 4.320 0.000 0.000 0.217 573 A C 2.324 179.820 177.584 -0.147 0.000 1.169 573 A CA 0.595 52.587 52.037 -0.075 0.000 0.638 573 A CB -0.415 18.568 19.000 -0.029 0.000 0.812 573 A HN 0.150 nan 8.150 nan 0.000 0.446 574 L N -1.122 119.947 121.223 -0.257 0.000 2.095 574 L HA -0.090 4.250 4.340 0.000 0.000 0.204 574 L C 2.771 179.513 176.870 -0.213 0.000 1.080 574 L CA 1.359 55.938 54.840 -0.436 0.000 0.759 574 L CB -0.379 41.077 42.059 -1.005 0.000 0.914 574 L HN 0.459 nan 8.230 nan 0.000 0.439 575 R N 0.330 120.778 120.500 -0.087 0.000 2.083 575 R HA -0.203 4.137 4.340 0.000 0.000 0.237 575 R C 1.712 178.065 176.300 0.087 0.000 1.137 575 R CA 2.172 58.348 56.100 0.126 0.000 0.951 575 R CB -0.216 30.165 30.300 0.134 0.000 0.851 575 R HN 0.311 nan 8.270 nan 0.000 0.434 576 D N 0.308 120.715 120.400 0.012 0.000 2.144 576 D HA -0.176 4.464 4.640 0.000 0.000 0.200 576 D C 1.835 178.124 176.300 -0.019 0.000 0.978 576 D CA 1.201 55.203 54.000 0.004 0.000 0.833 576 D CB -0.177 40.616 40.800 -0.012 0.000 0.961 576 D HN 0.288 nan 8.370 nan 0.000 0.470 577 M N -0.820 118.729 119.600 -0.085 0.000 2.175 577 M HA -0.195 4.285 4.480 0.000 0.000 0.264 577 M C 1.581 177.789 176.300 -0.154 0.000 1.063 577 M CA 1.306 56.508 55.300 -0.163 0.000 1.119 577 M CB 0.020 32.445 32.600 -0.291 0.000 1.377 577 M HN -0.013 nan 8.290 nan 0.000 0.415 578 Y N 0.400 120.669 120.300 -0.052 0.000 2.263 578 Y HA -0.163 4.387 4.550 -0.000 0.000 0.292 578 Y C 2.447 178.345 175.900 -0.004 0.000 1.130 578 Y CA 1.402 59.491 58.100 -0.018 0.000 1.179 578 Y CB -0.526 37.947 38.460 0.021 0.000 0.998 578 Y HN 0.326 nan 8.280 nan 0.000 0.532 579 Q N 0.122 120.013 119.800 0.152 0.000 2.050 579 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 579 Q C 2.000 178.032 176.000 0.053 0.000 0.980 579 Q CA 1.576 57.433 55.803 0.089 0.000 0.840 579 Q CB -0.177 28.599 28.738 0.064 0.000 0.898 579 Q HN 0.428 nan 8.270 nan 0.000 0.424 580 K N 0.326 120.742 120.400 0.027 0.000 2.283 580 K HA -0.137 4.183 4.320 0.000 0.000 0.202 580 K C 1.048 177.650 176.600 0.003 0.000 1.048 580 K CA 1.047 57.337 56.287 0.004 0.000 0.948 580 K CB 0.080 32.569 32.500 -0.019 0.000 0.742 580 K HN 0.088 nan 8.250 nan 0.000 0.458 581 D N -0.565 119.845 120.400 0.017 0.000 2.339 581 D HA 0.037 4.677 4.640 0.000 0.000 0.217 581 D C 0.725 177.056 176.300 0.051 0.000 1.050 581 D CA 0.553 54.566 54.000 0.021 0.000 0.856 581 D CB 0.331 41.140 40.800 0.015 0.000 0.922 581 D HN 0.284 nan 8.370 nan 0.000 0.518 582 G N 1.143 109.976 108.800 0.056 0.000 2.155 582 G HA2 -0.330 3.630 3.960 0.000 0.000 0.257 582 G HA3 -0.330 3.630 3.960 0.000 0.000 0.257 582 G C 0.253 175.189 174.900 0.061 0.000 0.983 582 G CA 0.181 45.310 45.100 0.049 0.000 0.676 582 G HN 0.392 nan 8.290 nan 0.000 0.528 583 K N 0.506 120.968 120.400 0.104 0.000 2.244 583 K HA 0.623 4.943 4.320 0.000 0.000 0.263 583 K C 1.571 178.197 176.600 0.043 0.000 1.103 583 K CA 0.111 56.447 56.287 0.082 0.000 0.966 583 K CB 0.968 33.561 32.500 0.155 0.000 1.429 583 K HN 0.284 nan 8.250 nan 0.000 0.434 584 A N 2.765 125.597 122.820 0.020 0.000 1.902 584 A HA -0.170 4.150 4.320 0.000 0.000 0.217 584 A C 1.706 179.277 177.584 -0.021 0.000 1.181 584 A CA 1.298 53.341 52.037 0.010 0.000 0.623 584 A CB -0.045 18.959 19.000 0.008 0.000 0.818 584 A HN 0.550 nan 8.150 nan 0.000 0.443 585 E N -0.350 119.821 120.200 -0.048 0.000 2.072 585 E HA -0.135 4.215 4.350 0.000 0.000 0.191 585 E C 2.031 178.551 176.600 -0.134 0.000 0.985 585 E CA 1.013 57.368 56.400 -0.076 0.000 0.801 585 E CB -0.499 29.156 29.700 -0.074 0.000 0.750 585 E HN 0.508 nan 8.360 nan 0.000 0.452 586 M N 0.328 119.789 119.600 -0.231 0.000 2.175 586 M HA -0.003 4.478 4.480 0.000 0.000 0.264 586 M C 2.263 178.423 176.300 -0.233 0.000 1.063 586 M CA 1.189 56.210 55.300 -0.465 0.000 1.119 586 M CB -1.196 30.692 32.600 -1.188 0.000 1.377 586 M HN 0.074 nan 8.290 nan 0.000 0.415 587 A N 0.259 123.044 122.820 -0.057 0.000 1.902 587 A HA 0.012 4.332 4.320 0.000 0.000 0.217 587 A C 2.429 180.090 177.584 0.129 0.000 1.181 587 A CA 2.017 54.146 52.037 0.153 0.000 0.623 587 A CB -0.891 18.191 19.000 0.137 0.000 0.818 587 A HN 0.469 nan 8.150 nan 0.000 0.443 588 A N 0.441 123.281 122.820 0.033 0.000 1.972 588 A HA -0.213 4.107 4.320 0.000 0.000 0.219 588 A C 2.104 179.672 177.584 -0.026 0.000 1.169 588 A CA 1.650 53.693 52.037 0.011 0.000 0.635 588 A CB -0.683 18.307 19.000 -0.017 0.000 0.810 588 A HN 0.808 nan 8.150 nan 0.000 0.446 589 Q N -2.337 117.390 119.800 -0.121 0.000 2.515 589 Q HA 0.054 4.394 4.340 0.000 0.000 0.212 589 Q C 0.381 176.123 176.000 -0.430 0.000 0.970 589 Q CA 0.735 56.365 55.803 -0.289 0.000 0.941 589 Q CB -0.296 28.182 28.738 -0.434 0.000 0.998 589 Q HN 0.572 nan 8.270 nan 0.000 0.518 590 F N 1.089 121.048 119.950 0.014 0.000 2.654 590 F HA 0.328 4.855 4.527 -0.000 0.000 0.303 590 F C 0.485 176.330 175.800 0.075 0.000 1.099 590 F CA -0.506 57.501 58.000 0.011 0.000 1.270 590 F CB 0.536 39.522 39.000 -0.023 0.000 1.024 590 F HN -0.047 nan 8.300 nan 0.000 0.548 591 E N -0.159 120.158 120.200 0.195 0.000 2.342 591 E HA 0.469 4.819 4.350 0.000 0.000 0.257 591 E C 1.246 177.966 176.600 0.199 0.000 1.150 591 E CA 0.551 57.049 56.400 0.163 0.000 0.926 591 E CB 0.939 30.691 29.700 0.087 0.000 1.074 591 E HN 0.260 nan 8.360 nan 0.000 0.449 592 G N 0.677 109.533 108.800 0.093 0.000 2.179 592 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 592 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 592 G C 0.090 174.708 174.900 -0.470 0.000 0.990 592 G CA -0.234 44.818 45.100 -0.079 0.000 0.646 592 G HN 0.312 nan 8.290 nan 0.000 0.517 593 F N 1.399 121.050 119.950 -0.498 0.000 2.908 593 F HA 0.389 4.915 4.527 -0.000 0.000 0.328 593 F C 0.609 175.890 175.800 -0.865 0.000 1.211 593 F CA -1.240 56.058 58.000 -1.171 0.000 1.291 593 F CB 0.823 39.313 39.000 -0.850 0.000 0.962 593 F HN 0.064 nan 8.300 nan 0.000 0.505 594 D N 1.144 121.339 120.400 -0.342 0.000 2.608 594 D HA -0.000 4.640 4.640 0.000 0.000 0.224 594 D C -0.822 175.589 176.300 0.185 0.000 1.123 594 D CA 0.216 54.193 54.000 -0.039 0.000 1.030 594 D CB -0.048 40.779 40.800 0.045 0.000 1.093 594 D HN 0.004 nan 8.370 nan 0.000 0.497 595 W N 2.263 123.616 121.300 0.090 0.000 2.666 595 W HA 0.379 5.039 4.660 -0.000 0.000 0.334 595 W C 0.842 177.386 176.519 0.042 0.000 1.051 595 W CA -0.961 56.422 57.345 0.064 0.000 1.224 595 W CB 1.300 30.813 29.460 0.088 0.000 1.405 595 W HN 0.006 nan 8.180 nan 0.000 0.513 596 K N 0.760 121.307 120.400 0.246 0.000 2.365 596 K HA 0.124 4.444 4.320 0.000 0.000 0.195 596 K C 0.736 177.394 176.600 0.096 0.000 1.079 596 K CA 0.689 57.054 56.287 0.130 0.000 0.979 596 K CB 0.480 33.029 32.500 0.082 0.000 0.929 596 K HN 0.555 nan 8.250 nan 0.000 0.523 597 T N -1.186 113.419 114.554 0.085 0.000 2.883 597 T HA 0.222 4.572 4.350 0.000 0.000 0.296 597 T C 0.925 175.638 174.700 0.021 0.000 1.117 597 T CA -0.764 61.361 62.100 0.042 0.000 1.006 597 T CB 2.204 71.075 68.868 0.005 0.000 1.191 597 T HN -0.020 nan 8.240 nan 0.000 0.508 598 E N 0.885 121.102 120.200 0.028 0.000 2.209 598 E HA -0.267 4.083 4.350 0.000 0.000 0.196 598 E C 1.423 177.993 176.600 -0.050 0.000 0.993 598 E CA 1.555 57.966 56.400 0.018 0.000 0.819 598 E CB -0.355 29.384 29.700 0.064 0.000 0.745 598 E HN 0.921 nan 8.360 nan 0.000 0.477 599 E N 1.078 121.212 120.200 -0.110 0.000 2.204 599 E HA -0.188 4.162 4.350 0.000 0.000 0.195 599 E C 1.246 177.663 176.600 -0.304 0.000 0.990 599 E CA 1.179 57.347 56.400 -0.387 0.000 0.821 599 E CB 0.079 29.410 29.700 -0.615 0.000 0.750 599 E HN 0.186 nan 8.360 nan 0.000 0.477 600 D N -0.054 120.180 120.400 -0.277 0.000 2.178 600 D HA -0.112 4.528 4.640 0.000 0.000 0.202 600 D C 1.705 177.576 176.300 -0.716 0.000 0.974 600 D CA 1.099 54.874 54.000 -0.375 0.000 0.841 600 D CB -0.043 40.609 40.800 -0.246 0.000 0.953 600 D HN 0.303 nan 8.370 nan 0.000 0.478 601 A N 0.229 122.564 122.820 -0.808 0.000 1.929 601 A HA -0.096 4.224 4.320 0.000 0.000 0.216 601 A C 2.045 179.419 177.584 -0.350 0.000 1.176 601 A CA 0.507 52.009 52.037 -0.892 0.000 0.628 601 A CB -0.884 17.751 19.000 -0.609 0.000 0.816 601 A HN 0.224 nan 8.150 nan 0.000 0.444 602 F N 1.234 120.983 119.950 -0.335 0.000 2.134 602 F HA -0.215 4.312 4.527 0.000 0.000 0.299 602 F C 2.148 177.789 175.800 -0.266 0.000 1.097 602 F CA 1.888 59.754 58.000 -0.223 0.000 1.264 602 F CB -0.016 38.878 39.000 -0.175 0.000 1.001 602 F HN 0.213 nan 8.300 nan 0.000 0.479 603 N N 0.337 118.890 118.700 -0.245 0.000 2.216 603 N HA -0.185 4.555 4.740 0.000 0.000 0.183 603 N C 1.438 176.745 175.510 -0.338 0.000 1.017 603 N CA 1.636 54.518 53.050 -0.280 0.000 0.861 603 N CB -0.646 37.723 38.487 -0.196 0.000 0.986 603 N HN 0.383 nan 8.380 nan 0.000 0.428 604 D N -0.385 119.799 120.400 -0.361 0.000 2.178 604 D HA -0.025 4.615 4.640 0.000 0.000 0.202 604 D C 1.646 177.514 176.300 -0.720 0.000 0.974 604 D CA 1.214 55.039 54.000 -0.292 0.000 0.841 604 D CB -0.070 40.757 40.800 0.044 0.000 0.953 604 D HN 0.275 nan 8.370 nan 0.000 0.478 605 G N -1.013 107.047 108.800 -1.233 0.000 2.687 605 G HA2 -0.056 3.904 3.960 0.000 0.000 0.222 605 G HA3 -0.056 3.904 3.960 0.000 0.000 0.222 605 G C 1.243 175.576 174.900 -0.946 0.000 1.445 605 G CA 0.101 44.057 45.100 -1.905 0.000 0.836 605 G HN 0.282 nan 8.290 nan 0.000 0.598 606 F N 1.963 121.422 119.950 -0.819 0.000 2.085 606 F HA -0.174 4.353 4.527 0.000 0.000 0.299 606 F C 2.842 178.238 175.800 -0.673 0.000 1.096 606 F CA 2.163 59.739 58.000 -0.706 0.000 1.227 606 F CB 0.150 38.586 39.000 -0.940 0.000 0.983 606 F HN -0.020 nan 8.300 nan 0.000 0.482 607 R N -0.450 119.758 120.500 -0.486 0.000 2.236 607 R HA 0.029 4.369 4.340 0.000 0.000 0.208 607 R C 1.948 178.075 176.300 -0.289 0.000 1.036 607 R CA 0.600 56.494 56.100 -0.344 0.000 1.001 607 R CB -0.192 29.932 30.300 -0.292 0.000 0.896 607 R HN 0.326 nan 8.270 nan 0.000 0.464 608 R N 0.634 120.913 120.500 -0.369 0.000 2.300 608 R HA 0.197 4.537 4.340 0.000 0.000 0.199 608 R C 0.294 176.429 176.300 -0.275 0.000 0.920 608 R CA -0.010 55.914 56.100 -0.292 0.000 1.046 608 R CB 0.467 30.591 30.300 -0.294 0.000 0.984 608 R HN 0.013 nan 8.270 nan 0.000 0.493 609 A N 0.986 123.600 122.820 -0.344 0.000 2.553 609 A HA 0.282 4.602 4.320 0.000 0.000 0.258 609 A C 1.234 178.710 177.584 -0.179 0.000 1.069 609 A CA 1.069 52.939 52.037 -0.278 0.000 0.767 609 A CB -0.476 18.307 19.000 -0.362 0.000 0.997 609 A HN 0.551 nan 8.150 nan 0.000 0.512 610 G N 1.405 110.131 108.800 -0.124 0.000 2.184 610 G HA2 -0.221 3.739 3.960 0.000 0.000 0.264 610 G HA3 -0.221 3.739 3.960 0.000 0.000 0.264 610 G C 0.206 175.052 174.900 -0.090 0.000 0.975 610 G CA 0.533 45.583 45.100 -0.084 0.000 0.642 610 G HN 0.878 nan 8.290 nan 0.000 0.536 611 Q N 0.818 120.545 119.800 -0.120 0.000 2.260 611 Q HA 0.436 4.776 4.340 0.000 0.000 0.242 611 Q C -2.012 173.925 176.000 -0.105 0.000 0.932 611 Q CA -1.851 53.868 55.803 -0.140 0.000 0.891 611 Q CB 0.786 29.413 28.738 -0.185 0.000 1.222 611 Q HN 0.363 nan 8.270 nan 0.000 0.453 612 P HA -0.016 nan 4.420 nan 0.000 0.265 612 P C 0.474 177.737 177.300 -0.063 0.000 1.193 612 P CA 0.791 63.849 63.100 -0.070 0.000 0.765 612 P CB 0.399 32.058 31.700 -0.068 0.000 0.823 613 G N 1.554 110.328 108.800 -0.044 0.000 2.184 613 G HA2 -0.175 3.785 3.960 0.000 0.000 0.264 613 G HA3 -0.175 3.785 3.960 0.000 0.000 0.264 613 G C 0.376 175.258 174.900 -0.031 0.000 0.975 613 G CA 0.182 45.262 45.100 -0.034 0.000 0.642 613 G HN 0.924 nan 8.290 nan 0.000 0.536 614 A N 0.848 123.642 122.820 -0.044 0.000 2.302 614 A HA 0.814 5.134 4.320 0.000 0.000 0.285 614 A C -0.599 176.980 177.584 -0.008 0.000 1.105 614 A CA -0.503 51.508 52.037 -0.042 0.000 0.816 614 A CB 0.663 19.609 19.000 -0.090 0.000 1.067 614 A HN 0.336 nan 8.150 nan 0.000 0.489 615 P HA 0.394 nan 4.420 nan 0.000 0.277 615 P C -0.258 177.082 177.300 0.066 0.000 1.276 615 P CA -0.211 62.929 63.100 0.066 0.000 0.788 615 P CB 0.500 32.277 31.700 0.129 0.000 1.114 616 A N 0.566 123.436 122.820 0.083 0.000 2.492 616 A HA 0.406 4.726 4.320 0.000 0.000 0.254 616 A C 0.284 177.949 177.584 0.135 0.000 1.091 616 A CA 0.026 52.114 52.037 0.085 0.000 0.768 616 A CB -0.979 18.071 19.000 0.083 0.000 1.028 616 A HN 0.427 nan 8.150 nan 0.000 0.498 617 I N 2.318 122.945 120.570 0.095 0.000 2.533 617 I HA 0.273 4.443 4.170 0.000 0.000 0.290 617 I C -1.090 175.093 176.117 0.110 0.000 1.056 617 I CA -0.685 60.684 61.300 0.116 0.000 1.057 617 I CB 2.414 40.386 38.000 -0.048 0.000 1.240 617 I HN 0.530 nan 8.210 nan 0.000 0.423 618 D N 4.756 125.276 120.400 0.199 0.000 2.392 618 D HA 0.327 4.967 4.640 0.000 0.000 0.228 618 D C -0.741 175.713 176.300 0.257 0.000 1.074 618 D CA 0.037 54.181 54.000 0.239 0.000 0.838 618 D CB 2.144 43.167 40.800 0.371 0.000 1.067 618 D HN 0.338 nan 8.370 nan 0.000 0.511 619 S N 1.701 117.489 115.700 0.146 0.000 2.538 619 S HA 0.138 4.608 4.470 0.000 0.000 0.288 619 S C 0.744 175.429 174.600 0.142 0.000 1.108 619 S CA -0.520 57.758 58.200 0.129 0.000 0.971 619 S CB 1.768 64.867 63.200 -0.169 0.000 1.041 619 S HN 0.253 nan 8.310 nan 0.000 0.483 620 Q N 2.539 122.541 119.800 0.337 0.000 2.437 620 Q HA 0.041 4.381 4.340 0.000 0.000 0.210 620 Q C 1.791 177.882 176.000 0.152 0.000 0.972 620 Q CA 1.053 57.041 55.803 0.309 0.000 0.903 620 Q CB -0.122 28.912 28.738 0.493 0.000 0.967 620 Q HN 0.882 nan 8.270 nan 0.000 0.486 621 G N 0.317 109.060 108.800 -0.095 0.000 2.623 621 G HA2 0.243 4.203 3.960 0.000 0.000 0.214 621 G HA3 0.243 4.203 3.960 0.000 0.000 0.214 621 G C 0.722 175.384 174.900 -0.396 0.000 1.138 621 G CA 0.290 45.129 45.100 -0.434 0.000 0.794 621 G HN 0.507 nan 8.290 nan 0.000 0.535 622 G N -0.282 108.337 108.800 -0.301 0.000 2.698 622 G HA2 -0.097 3.863 3.960 0.000 0.000 0.233 622 G HA3 -0.097 3.863 3.960 0.000 0.000 0.233 622 G C 1.104 175.851 174.900 -0.256 0.000 1.352 622 G CA 0.710 45.689 45.100 -0.203 0.000 0.879 622 G HN 1.255 nan 8.290 nan 0.000 0.567 623 S N -1.651 113.961 115.700 -0.147 0.000 2.603 623 S HA 0.180 4.650 4.470 0.000 0.000 0.220 623 S C 1.762 176.339 174.600 -0.039 0.000 0.967 623 S CA 1.688 59.830 58.200 -0.097 0.000 0.920 623 S CB -0.143 63.030 63.200 -0.044 0.000 0.773 623 S HN 2.060 nan 8.310 nan 0.000 0.529 624 T N -3.119 111.341 114.554 -0.157 0.000 3.134 624 T HA 0.405 4.755 4.350 0.000 0.000 0.260 624 T C 1.650 176.077 174.700 -0.456 0.000 1.027 624 T CA 0.245 62.170 62.100 -0.293 0.000 0.913 624 T CB 0.176 68.928 68.868 -0.192 0.000 1.046 624 T HN 0.311 nan 8.240 nan 0.000 0.553 625 G N 2.123 110.675 108.800 -0.412 0.000 2.470 625 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 625 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 625 G C 1.247 176.002 174.900 -0.240 0.000 1.121 625 G CA 1.036 45.852 45.100 -0.473 0.000 0.766 625 G HN 0.885 nan 8.290 nan 0.000 0.553 626 H N -0.383 118.573 119.070 -0.191 0.000 2.489 626 H HA 0.155 4.711 4.556 -0.000 0.000 0.293 626 H C 2.115 177.386 175.328 -0.094 0.000 1.066 626 H CA 0.646 56.606 56.048 -0.147 0.000 1.305 626 H CB -0.367 29.302 29.762 -0.154 0.000 1.386 626 H HN 0.315 nan 8.280 nan 0.000 0.551 627 L N 0.769 121.680 121.223 -0.520 0.000 2.362 627 L HA 0.026 4.366 4.340 0.000 0.000 0.219 627 L C 0.191 176.958 176.870 -0.172 0.000 1.134 627 L CA 0.001 54.666 54.840 -0.290 0.000 0.807 627 L CB 0.058 41.966 42.059 -0.252 0.000 0.927 627 L HN 0.172 nan 8.230 nan 0.000 0.447 628 V N 0.048 119.928 119.914 -0.057 0.000 2.546 628 V HA 0.305 4.425 4.120 0.000 0.000 0.284 628 V C 0.337 176.499 176.094 0.114 0.000 1.050 628 V CA -0.264 62.065 62.300 0.048 0.000 0.981 628 V CB 1.274 33.208 31.823 0.185 0.000 0.990 628 V HN 0.349 nan 8.190 nan 0.000 0.474 629 T N 0.493 115.089 114.554 0.070 0.000 2.883 629 T HA 0.452 4.802 4.350 0.000 0.000 0.301 629 T C 0.529 175.297 174.700 0.114 0.000 1.158 629 T CA -0.588 61.578 62.100 0.109 0.000 1.007 629 T CB 1.071 69.905 68.868 -0.056 0.000 1.186 629 T HN 0.381 nan 8.240 nan 0.000 0.499 630 Y N 0.462 120.668 120.300 -0.157 0.000 2.165 630 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 630 Y C 2.330 178.147 175.900 -0.139 0.000 1.155 630 Y CA 0.980 58.945 58.100 -0.224 0.000 1.164 630 Y CB -0.034 38.293 38.460 -0.223 0.000 0.978 630 Y HN 0.669 nan 8.280 nan 0.000 0.513 631 D N -0.059 120.378 120.400 0.062 0.000 2.117 631 D HA -0.148 4.492 4.640 0.000 0.000 0.197 631 D C 2.087 178.391 176.300 0.006 0.000 0.987 631 D CA 1.230 55.240 54.000 0.016 0.000 0.829 631 D CB -0.290 40.508 40.800 -0.004 0.000 0.961 631 D HN 0.352 nan 8.370 nan 0.000 0.460 632 R N 0.105 120.592 120.500 -0.022 0.000 2.115 632 R HA 0.016 4.356 4.340 0.000 0.000 0.230 632 R C 2.533 178.848 176.300 0.025 0.000 1.111 632 R CA 0.448 56.555 56.100 0.011 0.000 0.976 632 R CB -0.168 30.077 30.300 -0.092 0.000 0.870 632 R HN 0.217 nan 8.270 nan 0.000 0.445 633 L N -0.054 121.156 121.223 -0.022 0.000 2.072 633 L HA -0.104 4.236 4.340 0.000 0.000 0.205 633 L C 2.739 179.575 176.870 -0.056 0.000 1.079 633 L CA 1.090 55.896 54.840 -0.056 0.000 0.752 633 L CB -0.349 41.624 42.059 -0.145 0.000 0.906 633 L HN 0.168 nan 8.230 nan 0.000 0.436 634 R N 0.765 121.229 120.500 -0.059 0.000 2.096 634 R HA -0.225 4.115 4.340 0.000 0.000 0.235 634 R C 2.326 178.621 176.300 -0.010 0.000 1.127 634 R CA 1.639 57.711 56.100 -0.047 0.000 0.968 634 R CB -0.058 30.220 30.300 -0.038 0.000 0.861 634 R HN 0.183 nan 8.270 nan 0.000 0.440 635 K N 0.194 120.603 120.400 0.015 0.000 2.211 635 K HA -0.075 4.245 4.320 0.000 0.000 0.203 635 K C 1.760 178.381 176.600 0.035 0.000 1.050 635 K CA 1.531 57.840 56.287 0.037 0.000 0.945 635 K CB 0.027 32.572 32.500 0.074 0.000 0.732 635 K HN 0.256 nan 8.250 nan 0.000 0.451 636 S N -0.473 115.244 115.700 0.029 0.000 2.522 636 S HA 0.102 4.572 4.470 0.000 0.000 0.227 636 S C 1.048 175.651 174.600 0.006 0.000 0.986 636 S CA 0.293 58.507 58.200 0.023 0.000 0.929 636 S CB -0.479 62.734 63.200 0.022 0.000 0.769 636 S HN 0.588 nan 8.310 nan 0.000 0.529 637 G N 2.268 111.068 108.800 0.001 0.000 2.645 637 G HA2 -0.297 3.663 3.960 0.000 0.000 0.246 637 G HA3 -0.297 3.663 3.960 0.000 0.000 0.246 637 G C 0.170 175.058 174.900 -0.019 0.000 1.322 637 G CA 0.010 45.111 45.100 0.003 0.000 0.898 637 G HN 0.338 nan 8.290 nan 0.000 0.573 638 N N 1.042 119.725 118.700 -0.027 0.000 2.550 638 N HA -0.047 4.693 4.740 0.000 0.000 0.186 638 N C 1.767 177.253 175.510 -0.041 0.000 1.110 638 N CA 0.906 53.925 53.050 -0.051 0.000 0.912 638 N CB -0.212 38.219 38.487 -0.095 0.000 0.968 638 N HN 0.443 nan 8.380 nan 0.000 0.448 639 N N 0.416 119.099 118.700 -0.028 0.000 2.416 639 N HA 0.008 4.749 4.740 0.000 0.000 0.177 639 N C 1.484 176.978 175.510 -0.026 0.000 1.036 639 N CA 0.650 53.686 53.050 -0.024 0.000 0.901 639 N CB -0.019 38.460 38.487 -0.014 0.000 0.976 639 N HN 0.197 nan 8.380 nan 0.000 0.444 640 G N 0.848 109.635 108.800 -0.023 0.000 2.661 640 G HA2 -0.315 3.645 3.960 0.000 0.000 0.327 640 G HA3 -0.315 3.645 3.960 0.000 0.000 0.327 640 G C -0.203 174.692 174.900 -0.008 0.000 1.320 640 G CA 0.670 45.758 45.100 -0.020 0.000 0.997 640 G HN 0.466 nan 8.290 nan 0.000 0.543 641 V N -0.176 119.733 119.914 -0.008 0.000 2.969 641 V HA 0.594 4.714 4.120 0.000 0.000 0.304 641 V C -0.455 175.633 176.094 -0.010 0.000 1.192 641 V CA -0.392 61.907 62.300 -0.002 0.000 0.962 641 V CB 1.925 33.761 31.823 0.022 0.000 1.045 641 V HN 0.904 nan 8.190 nan 0.000 0.428 642 Q N 4.706 124.492 119.800 -0.023 0.000 2.295 642 Q HA 0.480 4.820 4.340 0.000 0.000 0.259 642 Q C -0.615 175.376 176.000 -0.014 0.000 0.976 642 Q CA -0.193 55.590 55.803 -0.034 0.000 0.923 642 Q CB 1.375 30.079 28.738 -0.057 0.000 1.185 642 Q HN 0.624 nan 8.270 nan 0.000 0.410 643 L N 5.551 126.778 121.223 0.007 0.000 2.452 643 L HA 0.293 4.633 4.340 0.000 0.000 0.267 643 L C -1.874 174.986 176.870 -0.017 0.000 1.188 643 L CA -1.776 53.074 54.840 0.016 0.000 0.821 643 L CB 0.123 42.223 42.059 0.068 0.000 1.102 643 L HN 0.410 nan 8.230 nan 0.000 0.470 644 P HA 0.114 nan 4.420 nan 0.000 0.282 644 P C -0.661 176.620 177.300 -0.031 0.000 1.249 644 P CA -0.389 62.692 63.100 -0.033 0.000 0.806 644 P CB 1.362 33.030 31.700 -0.053 0.000 0.984 645 V N 3.955 123.852 119.914 -0.028 0.000 2.529 645 V HA -0.062 4.058 4.120 0.000 0.000 0.292 645 V C 1.904 177.980 176.094 -0.031 0.000 1.028 645 V CA 0.417 62.705 62.300 -0.019 0.000 1.074 645 V CB 0.742 32.554 31.823 -0.018 0.000 0.958 645 V HN 0.366 nan 8.190 nan 0.000 0.481 646 V N 3.598 123.503 119.914 -0.014 0.000 2.725 646 V HA 0.093 4.213 4.120 0.000 0.000 0.247 646 V C 0.831 176.927 176.094 0.003 0.000 1.058 646 V CA 1.412 63.703 62.300 -0.014 0.000 1.080 646 V CB 0.152 31.966 31.823 -0.016 0.000 0.713 646 V HN 1.046 nan 8.190 nan 0.000 0.465 647 S N -2.595 113.122 115.700 0.027 0.000 2.643 647 S HA 0.491 4.961 4.470 0.000 0.000 0.266 647 S C -2.035 172.652 174.600 0.146 0.000 1.130 647 S CA -0.840 57.400 58.200 0.066 0.000 0.817 647 S CB 1.618 64.837 63.200 0.032 0.000 1.107 647 S HN 0.293 nan 8.310 nan 0.000 0.471 648 W N 1.489 122.772 121.300 -0.028 0.000 3.256 648 W HA 0.651 5.311 4.660 -0.000 0.000 0.324 648 W C -2.214 174.298 176.519 -0.011 0.000 1.196 648 W CA -0.042 57.291 57.345 -0.021 0.000 1.206 648 W CB 1.619 31.067 29.460 -0.021 0.000 1.385 648 W HN 1.211 nan 8.180 nan 0.000 0.522 649 D N 2.146 121.772 120.400 -1.290 0.000 2.623 649 D HA 0.204 4.844 4.640 0.000 0.000 0.241 649 D C 0.329 175.677 176.300 -1.587 0.000 1.241 649 D CA -0.509 52.751 54.000 -1.234 0.000 0.788 649 D CB 1.480 41.972 40.800 -0.515 0.000 1.413 649 D HN 0.238 nan 8.370 nan 0.000 0.429 650 E N 0.326 119.880 120.200 -1.076 0.000 2.110 650 E HA -0.159 4.191 4.350 0.000 0.000 0.193 650 E C 1.815 178.214 176.600 -0.335 0.000 0.988 650 E CA 1.852 57.919 56.400 -0.555 0.000 0.804 650 E CB -0.224 29.342 29.700 -0.222 0.000 0.745 650 E HN 0.583 nan 8.360 nan 0.000 0.458 651 S N 0.439 115.958 115.700 -0.301 0.000 2.357 651 S HA -0.054 4.416 4.470 0.000 0.000 0.221 651 S C 1.837 176.330 174.600 -0.178 0.000 1.031 651 S CA 0.842 58.929 58.200 -0.188 0.000 0.982 651 S CB -0.116 62.994 63.200 -0.149 0.000 0.853 651 S HN 0.121 nan 8.310 nan 0.000 0.458 652 K N 1.170 121.433 120.400 -0.229 0.000 2.323 652 K HA 0.364 4.684 4.320 0.000 0.000 0.197 652 K C 1.354 177.854 176.600 -0.167 0.000 1.043 652 K CA 0.382 56.567 56.287 -0.169 0.000 0.997 652 K CB -0.070 32.341 32.500 -0.149 0.000 0.807 652 K HN 0.552 nan 8.250 nan 0.000 0.497 653 G N 1.813 110.430 108.800 -0.305 0.000 2.542 653 G HA2 -0.286 3.674 3.960 0.000 0.000 0.235 653 G HA3 -0.286 3.674 3.960 0.000 0.000 0.235 653 G C -0.605 174.281 174.900 -0.024 0.000 1.286 653 G CA -0.722 44.279 45.100 -0.165 0.000 0.904 653 G HN 0.112 nan 8.290 nan 0.000 0.577 654 L N 0.440 121.797 121.223 0.224 0.000 2.361 654 L HA 0.473 4.813 4.340 0.000 0.000 0.278 654 L C 0.445 177.362 176.870 0.078 0.000 1.113 654 L CA -0.599 54.374 54.840 0.222 0.000 0.849 654 L CB 1.064 43.238 42.059 0.191 0.000 1.155 654 L HN 0.420 nan 8.230 nan 0.000 0.452 655 V N 3.513 123.459 119.914 0.052 0.000 2.398 655 V HA 0.631 4.751 4.120 0.000 0.000 0.286 655 V C 0.681 176.780 176.094 0.008 0.000 1.026 655 V CA -0.283 62.023 62.300 0.010 0.000 0.868 655 V CB 1.290 33.105 31.823 -0.012 0.000 0.982 655 V HN 0.911 nan 8.190 nan 0.000 0.443 656 G N 3.405 112.202 108.800 -0.004 0.000 3.008 656 G HA2 0.669 4.629 3.960 0.000 0.000 0.181 656 G HA3 0.669 4.629 3.960 0.000 0.000 0.181 656 G C -0.615 174.269 174.900 -0.027 0.000 1.309 656 G CA -0.438 44.654 45.100 -0.013 0.000 1.009 656 G HN 0.556 nan 8.290 nan 0.000 0.584 657 T N 0.250 114.782 114.554 -0.037 0.000 2.841 657 T HA 0.381 4.731 4.350 0.000 0.000 0.285 657 T C 0.490 175.159 174.700 -0.052 0.000 0.991 657 T CA -0.428 61.642 62.100 -0.050 0.000 0.966 657 T CB 2.421 71.248 68.868 -0.068 0.000 0.962 657 T HN 0.551 nan 8.240 nan 0.000 0.438 658 E N 2.284 122.457 120.200 -0.044 0.000 2.051 658 E HA 0.120 4.470 4.350 0.000 0.000 0.189 658 E C 0.533 177.110 176.600 -0.038 0.000 0.979 658 E CA 0.606 56.984 56.400 -0.037 0.000 0.803 658 E CB 0.422 30.110 29.700 -0.019 0.000 0.761 658 E HN 0.498 nan 8.360 nan 0.000 0.451 659 M N 1.094 120.668 119.600 -0.044 0.000 2.446 659 M HA 0.329 4.809 4.480 0.000 0.000 0.294 659 M C -1.703 174.527 176.300 -0.118 0.000 1.158 659 M CA -0.504 54.767 55.300 -0.048 0.000 0.899 659 M CB 1.716 34.316 32.600 0.001 0.000 1.687 659 M HN -0.077 nan 8.290 nan 0.000 0.455 660 L N 4.166 125.266 121.223 -0.205 0.000 2.439 660 L HA 0.419 4.759 4.340 0.000 0.000 0.259 660 L C -0.562 176.054 176.870 -0.423 0.000 1.129 660 L CA -0.716 53.827 54.840 -0.494 0.000 0.803 660 L CB 0.388 41.901 42.059 -0.911 0.000 1.161 660 L HN 0.904 nan 8.230 nan 0.000 0.462 661 Y N -1.178 119.027 120.300 -0.157 0.000 4.177 661 Y HA -0.250 4.300 4.550 0.001 0.000 0.227 661 Y C 1.763 177.537 175.900 -0.209 0.000 1.154 661 Y CA 0.716 58.620 58.100 -0.327 0.000 1.887 661 Y CB -2.854 35.354 38.460 -0.419 0.000 1.594 661 Y HN 0.797 nan 8.280 nan 0.000 0.668 662 T N -3.872 110.654 114.554 -0.046 0.000 3.113 662 T HA -0.042 4.308 4.350 0.000 0.000 0.263 662 T C 1.121 175.817 174.700 -0.006 0.000 1.143 662 T CA 1.397 63.495 62.100 -0.003 0.000 1.090 662 T CB 0.073 68.935 68.868 -0.010 0.000 0.922 662 T HN 0.631 nan 8.240 nan 0.000 0.521 663 E N 0.408 120.573 120.200 -0.057 0.000 2.498 663 E HA 0.355 4.705 4.350 0.000 0.000 0.203 663 E C 1.313 177.809 176.600 -0.174 0.000 1.013 663 E CA 0.025 56.387 56.400 -0.063 0.000 0.927 663 E CB 0.330 30.002 29.700 -0.048 0.000 1.012 663 E HN 0.605 nan 8.360 nan 0.000 0.482 664 G N 2.419 111.088 108.800 -0.218 0.000 2.136 664 G HA2 -0.294 3.666 3.960 0.000 0.000 0.242 664 G HA3 -0.294 3.666 3.960 0.000 0.000 0.242 664 G C -0.021 174.687 174.900 -0.319 0.000 0.989 664 G CA 0.097 45.004 45.100 -0.323 0.000 0.682 664 G HN 0.114 nan 8.290 nan 0.000 0.522 665 K N -0.173 120.005 120.400 -0.370 0.000 2.213 665 K HA 0.662 4.982 4.320 0.000 0.000 0.270 665 K C -0.480 175.887 176.600 -0.390 0.000 1.002 665 K CA -0.506 55.671 56.287 -0.182 0.000 0.868 665 K CB 0.959 33.425 32.500 -0.057 0.000 1.093 665 K HN 0.103 nan 8.250 nan 0.000 0.454 666 F N 0.381 120.354 119.950 0.038 0.000 2.557 666 F HA 0.189 4.717 4.527 0.001 0.000 0.336 666 F C 0.708 176.503 175.800 -0.008 0.000 1.058 666 F CA -0.947 57.011 58.000 -0.071 0.000 0.988 666 F CB 1.030 39.852 39.000 -0.297 0.000 1.275 666 F HN 0.393 nan 8.300 nan 0.000 0.488 667 D N 1.484 121.991 120.400 0.178 0.000 2.671 667 D HA 0.154 4.794 4.640 0.000 0.000 0.228 667 D C 0.068 176.380 176.300 0.021 0.000 1.102 667 D CA 0.306 54.379 54.000 0.121 0.000 1.044 667 D CB -0.439 40.459 40.800 0.163 0.000 1.113 667 D HN 0.598 nan 8.370 nan 0.000 0.480 668 T N -3.219 111.331 114.554 -0.007 0.000 2.812 668 T HA 0.156 4.506 4.350 0.000 0.000 0.294 668 T C 1.128 175.839 174.700 0.017 0.000 1.159 668 T CA -0.879 61.174 62.100 -0.078 0.000 1.008 668 T CB 2.195 70.833 68.868 -0.384 0.000 1.289 668 T HN -0.014 nan 8.240 nan 0.000 0.514 669 D N 1.141 121.576 120.400 0.059 0.000 2.116 669 D HA -0.209 4.431 4.640 0.000 0.000 0.193 669 D C 0.902 177.260 176.300 0.097 0.000 0.998 669 D CA 2.204 56.257 54.000 0.088 0.000 0.836 669 D CB -0.529 40.338 40.800 0.112 0.000 0.951 669 D HN 0.761 nan 8.370 nan 0.000 0.449 670 D N -1.732 118.751 120.400 0.138 0.000 2.363 670 D HA 0.218 4.858 4.640 0.000 0.000 0.214 670 D C 1.663 178.042 176.300 0.132 0.000 1.093 670 D CA 0.477 54.556 54.000 0.131 0.000 0.837 670 D CB 0.092 40.979 40.800 0.145 0.000 0.948 670 D HN 0.444 nan 8.370 nan 0.000 0.507 671 G N 0.230 109.101 108.800 0.119 0.000 2.184 671 G HA2 -0.330 3.630 3.960 0.000 0.000 0.264 671 G HA3 -0.330 3.630 3.960 0.000 0.000 0.264 671 G C 0.180 175.215 174.900 0.225 0.000 0.975 671 G CA 0.447 45.632 45.100 0.141 0.000 0.642 671 G HN 0.494 nan 8.290 nan 0.000 0.536 672 K N 0.409 120.927 120.400 0.198 0.000 2.095 672 K HA 0.748 5.068 4.320 0.000 0.000 0.252 672 K C 0.532 177.112 176.600 -0.033 0.000 0.977 672 K CA -0.163 56.235 56.287 0.186 0.000 0.900 672 K CB 1.608 34.210 32.500 0.170 0.000 1.060 672 K HN 0.456 nan 8.250 nan 0.000 0.449 673 A N 1.727 124.311 122.820 -0.393 0.000 2.388 673 A HA 0.195 4.515 4.320 0.000 0.000 0.257 673 A C -0.840 176.598 177.584 -0.244 0.000 1.095 673 A CA -0.228 51.349 52.037 -0.767 0.000 0.791 673 A CB -0.062 18.134 19.000 -1.340 0.000 1.029 673 A HN 0.749 nan 8.150 nan 0.000 0.489 674 H N 1.091 119.934 119.070 -0.378 0.000 2.551 674 H HA 0.357 4.913 4.556 0.000 0.000 0.321 674 H C -1.098 174.090 175.328 -0.233 0.000 1.028 674 H CA -0.541 55.384 56.048 -0.206 0.000 1.215 674 H CB 0.969 30.673 29.762 -0.096 0.000 1.414 674 H HN 0.611 nan 8.280 nan 0.000 0.480 675 F N 2.503 122.449 119.950 -0.007 0.000 2.459 675 F HA 0.197 4.724 4.527 -0.000 0.000 0.346 675 F C 0.710 176.477 175.800 -0.054 0.000 1.128 675 F CA 0.260 58.224 58.000 -0.060 0.000 1.268 675 F CB 0.682 39.673 39.000 -0.014 0.000 1.161 675 F HN 0.325 nan 8.300 nan 0.000 0.583 676 K N 2.962 123.418 120.400 0.094 0.000 2.435 676 K HA 0.417 4.737 4.320 0.000 0.000 0.251 676 K C -2.713 173.907 176.600 0.033 0.000 0.954 676 K CA -2.010 54.310 56.287 0.055 0.000 0.820 676 K CB 2.212 34.725 32.500 0.021 0.000 1.292 676 K HN 0.227 nan 8.250 nan 0.000 0.436 677 P HA 0.122 nan 4.420 nan 0.000 0.275 677 P C -1.332 176.005 177.300 0.061 0.000 1.228 677 P CA -0.373 62.755 63.100 0.047 0.000 0.786 677 P CB 1.058 32.791 31.700 0.055 0.000 0.927 678 A N 4.290 127.147 122.820 0.061 0.000 2.893 678 A HA 0.458 4.778 4.320 0.000 0.000 0.333 678 A C -2.415 175.252 177.584 0.139 0.000 1.152 678 A CA -1.537 50.555 52.037 0.091 0.000 0.782 678 A CB 0.380 19.412 19.000 0.052 0.000 1.108 678 A HN 0.347 nan 8.150 nan 0.000 0.469 679 P HA -0.024 nan 4.420 nan 0.000 0.271 679 P C -0.308 177.135 177.300 0.237 0.000 1.220 679 P CA 0.117 63.311 63.100 0.156 0.000 0.768 679 P CB 0.599 32.358 31.700 0.099 0.000 0.848 680 W N 5.637 126.959 121.300 0.036 0.000 2.387 680 W HA 0.150 4.812 4.660 0.004 0.000 0.310 680 W C -0.435 176.096 176.519 0.020 0.000 1.181 680 W CA -0.562 56.800 57.345 0.029 0.000 1.333 680 W CB 0.593 30.066 29.460 0.023 0.000 1.286 680 W HN 0.358 nan 8.180 nan 0.000 0.455 681 N N 4.400 122.730 118.700 -0.617 0.000 2.184 681 N HA 0.153 4.893 4.740 0.000 0.000 0.206 681 N C 0.868 175.813 175.510 -0.941 0.000 1.151 681 N CA 0.816 53.490 53.050 -0.626 0.000 0.878 681 N CB 0.922 39.238 38.487 -0.285 0.000 1.014 681 N HN 0.703 nan 8.380 nan 0.000 0.512 682 G N 1.184 108.846 108.800 -1.897 0.000 2.741 682 G HA2 -0.261 3.699 3.960 0.000 0.000 0.222 682 G HA3 -0.261 3.699 3.960 0.000 0.000 0.222 682 G C -0.395 174.131 174.900 -0.623 0.000 1.364 682 G CA -0.618 43.712 45.100 -1.284 0.000 0.866 682 G HN 0.164 nan 8.290 nan 0.000 0.555 683 L N 1.167 122.221 121.223 -0.282 0.000 2.473 683 L HA 0.334 4.674 4.340 0.000 0.000 0.268 683 L C -1.538 175.171 176.870 -0.267 0.000 1.215 683 L CA -1.338 53.410 54.840 -0.154 0.000 0.823 683 L CB 0.223 42.239 42.059 -0.073 0.000 1.099 683 L HN 0.386 nan 8.230 nan 0.000 0.483 684 P HA 0.076 nan 4.420 nan 0.000 0.275 684 P C -0.026 177.099 177.300 -0.292 0.000 1.228 684 P CA -0.174 62.600 63.100 -0.544 0.000 0.786 684 P CB 0.999 31.815 31.700 -1.475 0.000 0.927 685 A N 2.446 125.174 122.820 -0.154 0.000 1.892 685 A HA -0.209 4.111 4.320 0.000 0.000 0.218 685 A C 2.043 179.623 177.584 -0.007 0.000 1.188 685 A CA 2.544 54.547 52.037 -0.055 0.000 0.631 685 A CB -2.007 17.000 19.000 0.012 0.000 0.822 685 A HN 0.552 nan 8.150 nan 0.000 0.447 686 T N -0.567 114.019 114.554 0.053 0.000 2.759 686 T HA -0.127 4.223 4.350 0.000 0.000 0.269 686 T C 1.825 176.612 174.700 0.145 0.000 1.042 686 T CA 1.698 63.905 62.100 0.179 0.000 1.140 686 T CB -0.358 68.717 68.868 0.346 0.000 0.864 686 T HN 0.188 nan 8.240 nan 0.000 0.455 687 V N 0.929 120.844 119.914 0.001 0.000 2.407 687 V HA -0.088 4.032 4.120 0.000 0.000 0.245 687 V C 2.565 178.639 176.094 -0.034 0.000 1.041 687 V CA 1.392 63.709 62.300 0.028 0.000 1.040 687 V CB -0.583 31.222 31.823 -0.030 0.000 0.671 687 V HN 0.320 nan 8.190 nan 0.000 0.455 688 Q N 0.463 120.193 119.800 -0.117 0.000 2.135 688 Q HA -0.253 4.087 4.340 0.000 0.000 0.204 688 Q C 2.179 178.101 176.000 -0.131 0.000 0.981 688 Q CA 1.948 57.638 55.803 -0.190 0.000 0.856 688 Q CB -0.351 28.288 28.738 -0.164 0.000 0.902 688 Q HN 0.692 nan 8.270 nan 0.000 0.425 689 Q N -0.928 118.853 119.800 -0.031 0.000 2.124 689 Q HA -0.191 4.150 4.340 0.000 0.000 0.202 689 Q C 2.108 178.142 176.000 0.056 0.000 0.977 689 Q CA 1.424 57.233 55.803 0.010 0.000 0.850 689 Q CB -0.027 28.746 28.738 0.058 0.000 0.901 689 Q HN 0.417 nan 8.270 nan 0.000 0.429 690 Q N 0.586 120.481 119.800 0.158 0.000 2.123 690 Q HA -0.111 4.229 4.340 0.000 0.000 0.199 690 Q C 1.787 177.924 176.000 0.227 0.000 0.966 690 Q CA 1.053 57.055 55.803 0.332 0.000 0.845 690 Q CB -0.174 28.835 28.738 0.451 0.000 0.907 690 Q HN 0.300 nan 8.270 nan 0.000 0.439 691 K N 0.738 121.081 120.400 -0.096 0.000 2.097 691 K HA -0.145 4.175 4.320 0.000 0.000 0.206 691 K C 1.063 177.480 176.600 -0.304 0.000 1.049 691 K CA 1.332 57.287 56.287 -0.553 0.000 0.933 691 K CB 0.208 31.973 32.500 -1.224 0.000 0.717 691 K HN 0.034 nan 8.250 nan 0.000 0.442 692 D N 0.223 120.501 120.400 -0.202 0.000 2.234 692 D HA -0.108 4.532 4.640 0.000 0.000 0.205 692 D C 1.584 177.799 176.300 -0.141 0.000 0.962 692 D CA 0.956 54.862 54.000 -0.156 0.000 0.855 692 D CB 0.207 40.931 40.800 -0.128 0.000 0.951 692 D HN 0.267 nan 8.370 nan 0.000 0.500 693 K N -1.003 119.306 120.400 -0.153 0.000 2.334 693 K HA -0.002 4.318 4.320 0.000 0.000 0.195 693 K C -0.206 176.085 176.600 -0.515 0.000 1.045 693 K CA 0.272 56.349 56.287 -0.351 0.000 1.004 693 K CB 0.450 32.672 32.500 -0.463 0.000 0.837 693 K HN -0.033 nan 8.250 nan 0.000 0.510 694 Y N -0.551 119.780 120.300 0.051 0.000 2.598 694 Y HA 0.326 4.876 4.550 -0.000 0.000 0.340 694 Y C 1.058 177.018 175.900 0.101 0.000 1.038 694 Y CA -1.100 57.053 58.100 0.087 0.000 1.100 694 Y CB 1.358 39.898 38.460 0.135 0.000 1.281 694 Y HN -0.270 nan 8.280 nan 0.000 0.488 695 R N 0.401 121.043 120.500 0.237 0.000 2.075 695 R HA 0.124 4.465 4.340 0.000 0.000 0.226 695 R C -0.670 175.608 176.300 -0.035 0.000 1.114 695 R CA 0.933 57.022 56.100 -0.019 0.000 0.972 695 R CB 0.066 30.187 30.300 -0.299 0.000 0.869 695 R HN 0.490 nan 8.270 nan 0.000 0.437 696 F N -0.468 119.647 119.950 0.275 0.000 2.422 696 F HA 0.230 4.757 4.527 0.000 0.000 0.333 696 F C -0.172 175.675 175.800 0.078 0.000 1.095 696 F CA -1.277 56.847 58.000 0.206 0.000 1.038 696 F CB 0.684 39.720 39.000 0.059 0.000 1.156 696 F HN 0.021 nan 8.300 nan 0.000 0.483 697 W N 5.439 126.655 121.300 -0.140 0.000 2.304 697 W HA 0.422 5.082 4.660 -0.000 0.000 0.313 697 W C -1.039 175.197 176.519 -0.472 0.000 1.323 697 W CA -1.306 55.472 57.345 -0.944 0.000 1.223 697 W CB 0.501 29.569 29.460 -0.653 0.000 1.237 697 W HN 0.381 nan 8.180 nan 0.000 0.535 698 L N 7.591 128.300 121.223 -0.857 0.000 2.598 698 L HA 0.089 4.429 4.340 0.000 0.000 0.241 698 L C 0.636 176.892 176.870 -1.023 0.000 1.244 698 L CA -0.597 53.809 54.840 -0.724 0.000 1.198 698 L CB -0.978 40.833 42.059 -0.413 0.000 1.448 698 L HN 0.455 nan 8.230 nan 0.000 0.406 699 N N 2.873 120.695 118.700 -1.463 0.000 2.381 699 N HA 0.079 4.819 4.740 0.000 0.000 0.241 699 N C -0.511 174.517 175.510 -0.802 0.000 1.279 699 N CA 0.260 52.528 53.050 -1.303 0.000 0.896 699 N CB 0.580 38.256 38.487 -1.351 0.000 1.118 699 N HN 0.630 nan 8.380 nan 0.000 0.438 700 N N -0.613 117.694 118.700 -0.654 0.000 2.710 700 N HA 0.751 5.491 4.740 0.000 0.000 0.257 700 N C -0.504 174.654 175.510 -0.586 0.000 1.327 700 N CA -0.570 51.941 53.050 -0.899 0.000 0.861 700 N CB 1.401 39.583 38.487 -0.508 0.000 1.532 700 N HN 0.638 nan 8.380 nan 0.000 0.499 701 G N -0.167 108.253 108.800 -0.633 0.000 2.404 701 G HA2 0.307 4.267 3.960 0.000 0.000 0.253 701 G HA3 0.307 4.267 3.960 0.000 0.000 0.253 701 G C -1.613 173.429 174.900 0.237 0.000 1.253 701 G CA -1.000 44.087 45.100 -0.021 0.000 0.917 701 G HN 0.580 nan 8.290 nan 0.000 0.480 702 R N 0.620 121.290 120.500 0.283 0.000 2.582 702 R HA 0.549 4.889 4.340 0.000 0.000 0.271 702 R C 0.198 176.616 176.300 0.197 0.000 1.078 702 R CA -0.445 55.782 56.100 0.212 0.000 1.127 702 R CB 0.619 30.972 30.300 0.090 0.000 1.038 702 R HN 0.562 nan 8.270 nan 0.000 0.500 703 N N 1.152 119.913 118.700 0.102 0.000 2.346 703 N HA 0.038 4.778 4.740 0.000 0.000 0.289 703 N C 0.194 175.729 175.510 0.041 0.000 1.027 703 N CA -0.337 52.750 53.050 0.061 0.000 0.864 703 N CB 1.283 39.751 38.487 -0.031 0.000 1.370 703 N HN 0.554 nan 8.380 nan 0.000 0.481 704 N N 3.175 121.902 118.700 0.045 0.000 2.049 704 N HA -0.262 4.478 4.740 0.000 0.000 0.198 704 N C 0.708 176.254 175.510 0.060 0.000 1.030 704 N CA 2.370 55.441 53.050 0.036 0.000 0.870 704 N CB 0.181 38.694 38.487 0.044 0.000 1.045 704 N HN 0.617 nan 8.380 nan 0.000 0.434 705 E N -0.886 119.373 120.200 0.098 0.000 2.152 705 E HA 0.066 4.416 4.350 0.000 0.000 0.192 705 E C -0.078 176.601 176.600 0.131 0.000 0.983 705 E CA 0.281 56.760 56.400 0.131 0.000 0.818 705 E CB 0.190 30.029 29.700 0.232 0.000 0.758 705 E HN 0.117 nan 8.360 nan 0.000 0.467 706 V N 1.670 121.635 119.914 0.085 0.000 2.498 706 V HA 0.070 4.190 4.120 0.000 0.000 0.279 706 V C -0.528 175.634 176.094 0.114 0.000 1.048 706 V CA -0.603 61.743 62.300 0.078 0.000 0.967 706 V CB 0.880 32.677 31.823 -0.044 0.000 0.988 706 V HN 0.285 nan 8.190 nan 0.000 0.473 707 W N 6.179 127.410 121.300 -0.115 0.000 2.314 707 W HA 0.314 4.974 4.660 0.001 0.000 0.310 707 W C 0.335 176.800 176.519 -0.089 0.000 1.075 707 W CA -0.546 56.705 57.345 -0.156 0.000 1.253 707 W CB 1.121 30.336 29.460 -0.409 0.000 1.238 707 W HN 0.797 nan 8.180 nan 0.000 0.440 708 Q N 1.109 120.542 119.800 -0.612 0.000 1.922 708 Q HA -0.346 3.994 4.340 0.000 0.000 0.422 708 Q C 1.539 177.340 176.000 -0.332 0.000 0.813 708 Q CA 2.852 58.370 55.803 -0.475 0.000 0.816 708 Q CB -1.761 26.616 28.738 -0.602 0.000 3.720 708 Q HN 0.750 nan 8.270 nan 0.000 0.796 709 T N -0.951 113.504 114.554 -0.166 0.000 3.308 709 T HA 0.368 4.718 4.350 0.000 0.000 0.255 709 T C 0.927 175.559 174.700 -0.114 0.000 1.162 709 T CA 1.429 63.446 62.100 -0.138 0.000 1.031 709 T CB -0.408 68.448 68.868 -0.020 0.000 0.973 709 T HN 1.369 nan 8.240 nan 0.000 0.544 710 A N 0.820 123.563 122.820 -0.129 0.000 2.832 710 A HA -0.248 4.072 4.320 0.000 0.000 0.280 710 A C 1.004 178.430 177.584 -0.263 0.000 1.464 710 A CA 1.156 53.082 52.037 -0.186 0.000 0.804 710 A CB -3.007 15.886 19.000 -0.179 0.000 1.020 710 A HN 1.065 nan 8.150 nan 0.000 0.563 711 Y N -3.016 117.171 120.300 -0.189 0.000 2.207 711 Y HA -0.200 4.350 4.550 -0.000 0.000 0.287 711 Y C 2.210 177.801 175.900 -0.515 0.000 1.156 711 Y CA 1.746 59.653 58.100 -0.321 0.000 1.182 711 Y CB -0.533 37.838 38.460 -0.148 0.000 0.979 711 Y HN 0.581 nan 8.280 nan 0.000 0.521 712 H N 0.121 118.884 119.070 -0.512 0.000 2.370 712 H HA -0.032 4.524 4.556 0.000 0.000 0.304 712 H C 1.583 176.562 175.328 -0.581 0.000 1.055 712 H CA 1.151 56.825 56.048 -0.625 0.000 1.373 712 H CB -0.331 28.684 29.762 -1.246 0.000 1.423 712 H HN 0.390 nan 8.280 nan 0.000 0.533 713 D N 1.346 121.559 120.400 -0.312 0.000 2.172 713 D HA -0.193 4.447 4.640 0.000 0.000 0.196 713 D C 2.211 178.448 176.300 -0.105 0.000 0.999 713 D CA 1.257 55.214 54.000 -0.072 0.000 0.856 713 D CB -0.253 40.567 40.800 0.033 0.000 0.934 713 D HN 0.645 nan 8.370 nan 0.000 0.453 714 Q N -0.273 119.344 119.800 -0.305 0.000 2.297 714 Q HA -0.192 4.148 4.340 0.000 0.000 0.208 714 Q C 1.169 176.931 176.000 -0.397 0.000 0.981 714 Q CA 1.264 56.814 55.803 -0.421 0.000 0.876 714 Q CB -0.487 27.852 28.738 -0.665 0.000 0.921 714 Q HN 0.454 nan 8.270 nan 0.000 0.446 715 Y N 0.442 120.677 120.300 -0.108 0.000 2.457 715 Y HA 0.207 4.757 4.550 0.000 0.000 0.263 715 Y C 0.640 176.566 175.900 0.044 0.000 1.164 715 Y CA -0.625 57.453 58.100 -0.038 0.000 1.274 715 Y CB 0.475 38.907 38.460 -0.048 0.000 1.097 715 Y HN 0.164 nan 8.280 nan 0.000 0.523 716 N N 0.606 119.418 118.700 0.187 0.000 2.414 716 N HA 0.014 4.755 4.740 0.000 0.000 0.256 716 N C 0.579 176.166 175.510 0.128 0.000 1.029 716 N CA 0.221 53.399 53.050 0.213 0.000 0.948 716 N CB 1.343 40.014 38.487 0.306 0.000 1.102 716 N HN 0.077 nan 8.380 nan 0.000 0.496 717 S N 3.860 119.624 115.700 0.107 0.000 2.372 717 S HA -0.161 4.309 4.470 0.000 0.000 0.227 717 S C 1.934 176.559 174.600 0.042 0.000 1.044 717 S CA 1.116 59.356 58.200 0.067 0.000 1.050 717 S CB -0.112 63.121 63.200 0.056 0.000 0.901 717 S HN 0.600 nan 8.310 nan 0.000 0.447 718 L N 0.587 121.834 121.223 0.040 0.000 2.046 718 L HA -0.102 4.238 4.340 0.000 0.000 0.208 718 L C 2.550 179.418 176.870 -0.003 0.000 1.077 718 L CA 0.891 55.735 54.840 0.007 0.000 0.747 718 L CB -0.439 41.624 42.059 0.007 0.000 0.896 718 L HN 0.338 nan 8.230 nan 0.000 0.432 719 M N -0.819 118.814 119.600 0.056 0.000 2.175 719 M HA -0.181 4.299 4.480 0.000 0.000 0.264 719 M C 2.199 178.547 176.300 0.080 0.000 1.063 719 M CA 1.610 56.968 55.300 0.097 0.000 1.119 719 M CB -0.966 31.738 32.600 0.172 0.000 1.377 719 M HN 0.327 nan 8.290 nan 0.000 0.415 720 Q N -0.299 119.535 119.800 0.056 0.000 2.119 720 Q HA -0.208 4.132 4.340 0.000 0.000 0.201 720 Q C 1.922 177.919 176.000 -0.005 0.000 0.972 720 Q CA 1.550 57.379 55.803 0.042 0.000 0.847 720 Q CB -0.177 28.582 28.738 0.036 0.000 0.903 720 Q HN 0.550 nan 8.270 nan 0.000 0.433 721 E N 0.471 120.648 120.200 -0.039 0.000 2.216 721 E HA -0.158 4.192 4.350 0.000 0.000 0.192 721 E C 1.923 178.403 176.600 -0.200 0.000 0.988 721 E CA 0.611 56.959 56.400 -0.086 0.000 0.834 721 E CB 0.220 29.881 29.700 -0.065 0.000 0.772 721 E HN 0.038 nan 8.360 nan 0.000 0.479 722 R N -0.749 119.586 120.500 -0.276 0.000 2.066 722 R HA 0.023 4.363 4.340 0.000 0.000 0.224 722 R C -0.018 175.820 176.300 -0.770 0.000 1.122 722 R CA 1.213 56.963 56.100 -0.584 0.000 0.974 722 R CB 0.100 29.967 30.300 -0.722 0.000 0.871 722 R HN 0.171 nan 8.270 nan 0.000 0.435 723 Y N 0.652 120.904 120.300 -0.080 0.000 2.658 723 Y HA 0.362 4.912 4.550 0.000 0.000 0.362 723 Y C -1.789 174.116 175.900 0.008 0.000 1.017 723 Y CA -2.209 55.855 58.100 -0.061 0.000 1.134 723 Y CB 1.832 40.278 38.460 -0.023 0.000 1.144 723 Y HN 0.170 nan 8.280 nan 0.000 0.655 724 P HA -0.103 nan 4.420 nan 0.000 0.234 724 P C 0.096 177.435 177.300 0.065 0.000 1.167 724 P CA 1.136 64.191 63.100 -0.076 0.000 0.763 724 P CB 0.805 32.322 31.700 -0.304 0.000 0.835 725 M N -1.175 118.489 119.600 0.108 0.000 2.534 725 M HA 0.548 5.028 4.480 0.000 0.000 0.280 725 M C -1.494 174.937 176.300 0.218 0.000 1.217 725 M CA -0.975 54.506 55.300 0.302 0.000 0.893 725 M CB 2.577 35.391 32.600 0.357 0.000 1.730 725 M HN -0.234 nan 8.290 nan 0.000 0.483 726 A N 2.390 125.309 122.820 0.166 0.000 2.520 726 A HA 0.375 4.695 4.320 0.000 0.000 0.235 726 A C -1.126 176.441 177.584 -0.027 0.000 1.065 726 A CA 0.257 52.173 52.037 -0.202 0.000 0.764 726 A CB -0.287 18.578 19.000 -0.225 0.000 1.002 726 A HN 0.805 nan 8.150 nan 0.000 0.502 727 Y N -0.279 119.953 120.300 -0.113 0.000 2.567 727 Y HA 0.789 5.339 4.550 0.000 0.000 0.333 727 Y C -0.571 175.333 175.900 0.006 0.000 1.106 727 Y CA -1.868 56.274 58.100 0.070 0.000 1.157 727 Y CB 1.270 39.907 38.460 0.295 0.000 1.277 727 Y HN 0.599 nan 8.280 nan 0.000 0.490 728 I N 1.971 122.656 120.570 0.192 0.000 2.478 728 I HA 0.319 4.489 4.170 0.000 0.000 0.287 728 I C -1.265 174.983 176.117 0.218 0.000 1.042 728 I CA -0.662 60.655 61.300 0.029 0.000 1.067 728 I CB 1.542 39.495 38.000 -0.078 0.000 1.233 728 I HN 0.829 nan 8.210 nan 0.000 0.431 729 E N 8.431 128.768 120.200 0.228 0.000 2.290 729 E HA 0.381 4.731 4.350 0.000 0.000 0.277 729 E C -0.970 175.705 176.600 0.126 0.000 1.035 729 E CA -0.048 56.492 56.400 0.233 0.000 0.873 729 E CB 1.175 31.000 29.700 0.209 0.000 1.029 729 E HN 0.522 nan 8.360 nan 0.000 0.419 730 M N 2.393 122.064 119.600 0.119 0.000 2.518 730 M HA 0.241 4.721 4.480 0.000 0.000 0.300 730 M C -0.212 176.148 176.300 0.099 0.000 1.175 730 M CA -1.005 54.337 55.300 0.070 0.000 0.890 730 M CB 2.018 34.617 32.600 -0.001 0.000 1.710 730 M HN 0.360 nan 8.290 nan 0.000 0.453 731 N N 2.718 121.489 118.700 0.118 0.000 2.492 731 N HA 0.109 4.849 4.740 0.000 0.000 0.262 731 N C -2.107 173.463 175.510 0.099 0.000 1.202 731 N CA -0.920 52.200 53.050 0.117 0.000 0.926 731 N CB 1.328 39.898 38.487 0.138 0.000 1.078 731 N HN 0.293 nan 8.380 nan 0.000 0.454 732 P HA -0.097 nan 4.420 nan 0.000 0.218 732 P C 0.477 177.816 177.300 0.065 0.000 1.148 732 P CA 1.117 64.255 63.100 0.064 0.000 0.822 732 P CB 0.321 32.054 31.700 0.056 0.000 0.784 733 D N -0.751 119.695 120.400 0.077 0.000 2.123 733 D HA -0.126 4.514 4.640 0.000 0.000 0.200 733 D C 1.432 177.791 176.300 0.098 0.000 0.976 733 D CA 1.062 55.108 54.000 0.077 0.000 0.831 733 D CB -0.471 40.374 40.800 0.075 0.000 0.974 733 D HN 0.156 nan 8.370 nan 0.000 0.469 734 D N 0.199 120.679 120.400 0.134 0.000 2.178 734 D HA -0.090 4.550 4.640 0.000 0.000 0.202 734 D C 2.199 178.580 176.300 0.136 0.000 0.974 734 D CA 0.431 54.547 54.000 0.192 0.000 0.841 734 D CB -0.262 40.724 40.800 0.310 0.000 0.953 734 D HN 0.204 nan 8.370 nan 0.000 0.478 735 C N 0.688 120.039 119.300 0.084 0.000 2.446 735 C HA -0.053 4.407 4.460 0.000 0.000 0.277 735 C C 2.553 177.569 174.990 0.044 0.000 1.275 735 C CA 0.214 59.259 59.018 0.045 0.000 1.727 735 C CB -0.512 27.241 27.740 0.021 0.000 2.010 735 C HN 0.352 nan 8.230 nan 0.000 0.486 736 K N 0.614 121.043 120.400 0.049 0.000 2.057 736 K HA -0.219 4.101 4.320 0.000 0.000 0.207 736 K C 2.344 178.975 176.600 0.052 0.000 1.049 736 K CA 1.371 57.683 56.287 0.042 0.000 0.931 736 K CB -0.369 32.155 32.500 0.041 0.000 0.714 736 K HN 0.451 nan 8.250 nan 0.000 0.440 737 Q N 0.854 120.696 119.800 0.071 0.000 2.124 737 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 737 Q C 1.799 177.849 176.000 0.083 0.000 0.977 737 Q CA 1.442 57.292 55.803 0.079 0.000 0.850 737 Q CB -0.021 28.777 28.738 0.100 0.000 0.901 737 Q HN 0.440 nan 8.270 nan 0.000 0.429 738 L N 0.607 121.884 121.223 0.090 0.000 2.599 738 L HA 0.004 4.344 4.340 0.000 0.000 0.230 738 L C 0.252 177.153 176.870 0.052 0.000 1.141 738 L CA 0.384 55.273 54.840 0.082 0.000 0.877 738 L CB 0.030 42.138 42.059 0.083 0.000 1.009 738 L HN 0.222 nan 8.230 nan 0.000 0.447 739 D N 0.404 120.829 120.400 0.042 0.000 2.800 739 D HA -0.151 4.489 4.640 0.000 0.000 0.232 739 D C -0.344 175.963 176.300 0.011 0.000 1.137 739 D CA 0.868 54.883 54.000 0.025 0.000 0.718 739 D CB -0.839 39.977 40.800 0.026 0.000 1.084 739 D HN 0.158 nan 8.370 nan 0.000 0.432 740 V N -2.777 117.140 119.914 0.004 0.000 2.815 740 V HA 0.981 5.101 4.120 0.000 0.000 0.314 740 V C 0.582 176.649 176.094 -0.044 0.000 1.064 740 V CA 0.154 62.443 62.300 -0.019 0.000 0.952 740 V CB 2.108 33.919 31.823 -0.020 0.000 1.020 740 V HN 0.383 nan 8.190 nan 0.000 0.439 741 T N -0.819 113.686 114.554 -0.083 0.000 2.804 741 T HA 0.720 5.070 4.350 0.000 0.000 0.290 741 T C 0.456 174.988 174.700 -0.281 0.000 1.099 741 T CA -0.236 61.783 62.100 -0.134 0.000 1.011 741 T CB 1.070 69.880 68.868 -0.096 0.000 1.291 741 T HN 1.689 nan 8.240 nan 0.000 0.523 742 G N -1.025 107.496 108.800 -0.464 0.000 2.225 742 G HA2 0.394 4.354 3.960 0.000 0.000 0.245 742 G HA3 0.394 4.354 3.960 0.000 0.000 0.245 742 G C 1.218 175.533 174.900 -0.974 0.000 1.249 742 G CA 0.202 44.590 45.100 -1.185 0.000 0.919 742 G HN 2.087 nan 8.290 nan 0.000 0.486 743 G N 2.183 110.442 108.800 -0.903 0.000 2.176 743 G HA2 -0.230 3.730 3.960 0.000 0.000 0.232 743 G HA3 -0.230 3.730 3.960 0.000 0.000 0.232 743 G C 0.164 175.136 174.900 0.121 0.000 0.986 743 G CA 0.237 45.363 45.100 0.043 0.000 0.643 743 G HN 0.755 nan 8.290 nan 0.000 0.522 744 D N 0.332 120.717 120.400 -0.024 0.000 2.313 744 D HA 0.555 5.195 4.640 0.000 0.000 0.247 744 D C 0.881 177.229 176.300 0.080 0.000 1.094 744 D CA -0.000 54.008 54.000 0.015 0.000 0.925 744 D CB 1.090 41.875 40.800 -0.025 0.000 1.188 744 D HN 0.311 nan 8.370 nan 0.000 0.430 745 I N 1.387 122.002 120.570 0.075 0.000 2.359 745 I HA 0.244 4.414 4.170 0.000 0.000 0.294 745 I C 0.205 176.378 176.117 0.093 0.000 0.987 745 I CA -0.882 60.492 61.300 0.124 0.000 1.225 745 I CB 1.404 39.461 38.000 0.094 0.000 1.366 745 I HN 0.039 nan 8.210 nan 0.000 0.466 746 V N 2.061 122.045 119.914 0.117 0.000 2.864 746 V HA 0.589 4.709 4.120 0.000 0.000 0.314 746 V C -0.525 175.656 176.094 0.146 0.000 1.073 746 V CA -0.794 61.562 62.300 0.093 0.000 0.956 746 V CB 1.907 33.749 31.823 0.032 0.000 1.023 746 V HN 0.837 nan 8.190 nan 0.000 0.435 747 E N 1.528 121.822 120.200 0.157 0.000 2.191 747 E HA 0.680 5.030 4.350 0.000 0.000 0.278 747 E C -1.581 175.150 176.600 0.218 0.000 0.972 747 E CA -0.691 55.842 56.400 0.222 0.000 0.804 747 E CB 2.092 31.927 29.700 0.226 0.000 1.110 747 E HN 0.704 nan 8.360 nan 0.000 0.394 748 V N 5.267 125.288 119.914 0.178 0.000 2.604 748 V HA 0.522 4.642 4.120 0.000 0.000 0.305 748 V C -1.114 175.053 176.094 0.122 0.000 1.043 748 V CA -0.627 61.692 62.300 0.031 0.000 0.888 748 V CB 0.917 32.696 31.823 -0.073 0.000 0.995 748 V HN 0.698 nan 8.190 nan 0.000 0.429 749 Y N 2.824 123.084 120.300 -0.066 0.000 2.641 749 Y HA 0.837 5.387 4.550 -0.000 0.000 0.333 749 Y C -0.812 174.879 175.900 -0.348 0.000 1.174 749 Y CA -1.199 56.831 58.100 -0.115 0.000 1.057 749 Y CB 1.348 39.782 38.460 -0.043 0.000 1.322 749 Y HN 0.675 nan 8.280 nan 0.000 0.457 750 N N -1.153 117.433 118.700 -0.189 0.000 3.587 750 N HA 0.263 5.003 4.740 0.000 0.000 0.339 750 N C -0.643 174.857 175.510 -0.016 0.000 1.636 750 N CA -0.384 52.305 53.050 -0.602 0.000 0.788 750 N CB 0.102 38.315 38.487 -0.458 0.000 2.205 750 N HN 0.542 nan 8.380 nan 0.000 0.600 751 D N -0.933 119.532 120.400 0.109 0.000 2.347 751 D HA 0.122 4.762 4.640 0.000 0.000 0.215 751 D C 0.590 176.767 176.300 -0.205 0.000 0.976 751 D CA 0.698 54.691 54.000 -0.011 0.000 0.884 751 D CB -0.188 40.549 40.800 -0.105 0.000 0.915 751 D HN 0.336 nan 8.370 nan 0.000 0.526 752 F N 0.489 120.477 119.950 0.064 0.000 2.619 752 F HA 0.308 4.834 4.527 -0.001 0.000 0.293 752 F C 1.665 177.483 175.800 0.031 0.000 1.119 752 F CA 0.366 58.394 58.000 0.047 0.000 1.445 752 F CB 0.669 39.696 39.000 0.045 0.000 1.119 752 F HN -0.061 nan 8.300 nan 0.000 0.573 753 G N -0.833 108.072 108.800 0.176 0.000 2.323 753 G HA2 0.405 4.365 3.960 0.000 0.000 0.291 753 G HA3 0.405 4.365 3.960 0.000 0.000 0.291 753 G C -1.601 173.367 174.900 0.114 0.000 1.278 753 G CA -0.355 44.814 45.100 0.115 0.000 0.860 753 G HN 0.147 nan 8.290 nan 0.000 0.504 754 S N -1.569 114.190 115.700 0.098 0.000 2.570 754 S HA 0.905 5.375 4.470 0.000 0.000 0.286 754 S C -0.531 174.134 174.600 0.107 0.000 1.099 754 S CA 0.141 58.419 58.200 0.131 0.000 0.913 754 S CB 2.298 65.565 63.200 0.113 0.000 1.085 754 S HN 1.563 nan 8.310 nan 0.000 0.480 755 T N 0.486 115.111 114.554 0.118 0.000 2.671 755 T HA 0.813 5.163 4.350 0.000 0.000 0.300 755 T C -2.024 172.770 174.700 0.157 0.000 1.238 755 T CA -0.768 61.357 62.100 0.041 0.000 1.020 755 T CB 0.863 69.650 68.868 -0.134 0.000 1.503 755 T HN 1.110 nan 8.240 nan 0.000 0.497 756 F N -0.533 119.429 119.950 0.020 0.000 2.662 756 F HA 0.969 5.496 4.527 -0.000 0.000 0.312 756 F C -0.799 175.023 175.800 0.036 0.000 1.113 756 F CA -1.004 57.017 58.000 0.035 0.000 0.951 756 F CB 1.174 40.206 39.000 0.052 0.000 1.344 756 F HN 0.870 nan 8.300 nan 0.000 0.462 757 A N 1.933 124.888 122.820 0.225 0.000 2.601 757 A HA 0.713 5.033 4.320 0.000 0.000 0.291 757 A C -1.300 176.436 177.584 0.254 0.000 1.075 757 A CA -0.882 51.249 52.037 0.156 0.000 0.671 757 A CB 1.598 20.596 19.000 -0.002 0.000 1.277 757 A HN 1.200 nan 8.150 nan 0.000 0.417 758 M N 0.815 120.593 119.600 0.296 0.000 2.233 758 M HA 0.694 5.174 4.480 0.000 0.000 0.355 758 M C -0.692 175.751 176.300 0.239 0.000 1.191 758 M CA -0.648 54.850 55.300 0.330 0.000 1.101 758 M CB 1.025 33.889 32.600 0.439 0.000 1.592 758 M HN 0.265 nan 8.290 nan 0.000 0.461 759 V N 3.609 123.580 119.914 0.095 0.000 2.572 759 V HA 0.014 4.134 4.120 0.000 0.000 0.291 759 V C -0.842 175.210 176.094 -0.070 0.000 1.039 759 V CA 0.244 62.553 62.300 0.014 0.000 1.055 759 V CB -0.206 31.572 31.823 -0.075 0.000 0.969 759 V HN 0.815 nan 8.190 nan 0.000 0.482 760 Y N 6.469 126.788 120.300 0.032 0.000 2.686 760 Y HA 0.382 4.932 4.550 0.000 0.000 0.331 760 Y C -2.333 173.602 175.900 0.059 0.000 0.996 760 Y CA -2.744 55.416 58.100 0.101 0.000 1.293 760 Y CB 1.928 40.574 38.460 0.311 0.000 1.092 760 Y HN 0.551 nan 8.280 nan 0.000 0.524 761 P HA 0.019 nan 4.420 nan 0.000 0.266 761 P C -1.146 176.297 177.300 0.239 0.000 1.215 761 P CA 0.422 63.612 63.100 0.150 0.000 0.763 761 P CB 0.805 32.529 31.700 0.040 0.000 0.806 762 V N 3.777 123.796 119.914 0.175 0.000 2.447 762 V HA 0.306 4.426 4.120 0.000 0.000 0.292 762 V C 1.209 177.357 176.094 0.091 0.000 1.021 762 V CA -0.388 61.991 62.300 0.131 0.000 0.850 762 V CB 1.180 33.058 31.823 0.091 0.000 1.005 762 V HN 0.553 nan 8.190 nan 0.000 0.426 763 A N 3.152 126.018 122.820 0.076 0.000 2.024 763 A HA -0.149 4.171 4.320 0.000 0.000 0.220 763 A C 1.777 179.396 177.584 0.057 0.000 1.164 763 A CA 1.902 53.976 52.037 0.061 0.000 0.643 763 A CB -0.136 18.893 19.000 0.048 0.000 0.806 763 A HN 0.838 nan 8.150 nan 0.000 0.451 764 E N -0.427 119.802 120.200 0.048 0.000 2.427 764 E HA 0.060 4.410 4.350 0.000 0.000 0.196 764 E C 0.226 176.868 176.600 0.069 0.000 1.028 764 E CA 0.009 56.437 56.400 0.047 0.000 0.864 764 E CB -0.004 29.708 29.700 0.019 0.000 0.813 764 E HN 0.463 nan 8.360 nan 0.000 0.514 765 I N 2.228 122.847 120.570 0.081 0.000 2.556 765 I HA -0.007 4.163 4.170 0.000 0.000 0.284 765 I C 0.545 176.739 176.117 0.128 0.000 1.114 765 I CA -0.028 61.340 61.300 0.113 0.000 1.418 765 I CB 0.460 38.532 38.000 0.120 0.000 1.394 765 I HN -0.049 nan 8.210 nan 0.000 0.552 766 K N 6.375 126.867 120.400 0.153 0.000 2.270 766 K HA 0.255 4.575 4.320 0.000 0.000 0.276 766 K C 0.132 176.836 176.600 0.174 0.000 1.023 766 K CA -0.596 55.777 56.287 0.144 0.000 0.955 766 K CB 0.710 33.295 32.500 0.143 0.000 0.975 766 K HN 0.395 nan 8.250 nan 0.000 0.471 767 R N 0.401 120.989 120.500 0.147 0.000 2.640 767 R HA -0.022 4.318 4.340 0.000 0.000 0.270 767 R C 1.070 177.480 176.300 0.183 0.000 1.024 767 R CA 1.277 57.477 56.100 0.165 0.000 1.085 767 R CB 0.131 30.500 30.300 0.114 0.000 0.963 767 R HN 1.013 nan 8.270 nan 0.000 0.426 768 G N 1.274 110.214 108.800 0.233 0.000 2.176 768 G HA2 -0.294 3.666 3.960 0.000 0.000 0.253 768 G HA3 -0.294 3.666 3.960 0.000 0.000 0.253 768 G C -0.004 175.128 174.900 0.387 0.000 0.979 768 G CA 0.022 45.220 45.100 0.163 0.000 0.641 768 G HN 0.554 nan 8.290 nan 0.000 0.530 769 Q N -0.224 119.828 119.800 0.420 0.000 2.399 769 Q HA 0.733 5.073 4.340 0.000 0.000 0.276 769 Q C 0.031 176.196 176.000 0.276 0.000 1.098 769 Q CA -0.160 55.895 55.803 0.420 0.000 0.827 769 Q CB 2.431 31.452 28.738 0.471 0.000 1.386 769 Q HN 0.593 nan 8.270 nan 0.000 0.443 770 T N -2.285 112.328 114.554 0.099 0.000 2.762 770 T HA 0.728 5.078 4.350 0.000 0.000 0.301 770 T C -1.618 173.020 174.700 -0.103 0.000 1.299 770 T CA -0.706 61.381 62.100 -0.023 0.000 1.005 770 T CB 1.248 70.026 68.868 -0.150 0.000 1.377 770 T HN 0.499 nan 8.240 nan 0.000 0.504 771 F N 1.030 120.843 119.950 -0.229 0.000 2.607 771 F HA 0.715 5.242 4.527 -0.000 0.000 0.322 771 F C -1.172 174.448 175.800 -0.299 0.000 1.176 771 F CA -0.919 56.908 58.000 -0.288 0.000 0.977 771 F CB 1.991 40.872 39.000 -0.197 0.000 1.242 771 F HN 0.883 nan 8.300 nan 0.000 0.465 772 M N 7.314 126.331 119.600 -0.972 0.000 2.393 772 M HA 0.449 4.929 4.480 0.000 0.000 0.316 772 M C -1.516 174.172 176.300 -1.020 0.000 1.087 772 M CA -1.345 53.467 55.300 -0.813 0.000 0.937 772 M CB 1.599 33.879 32.600 -0.534 0.000 1.668 772 M HN 0.746 nan 8.290 nan 0.000 0.438 773 L N 6.319 126.965 121.223 -0.962 0.000 2.615 773 L HA 0.158 4.498 4.340 0.000 0.000 0.271 773 L C -0.750 175.835 176.870 -0.475 0.000 1.183 773 L CA 0.540 54.926 54.840 -0.758 0.000 0.933 773 L CB -0.230 41.278 42.059 -0.918 0.000 1.199 773 L HN 0.577 nan 8.230 nan 0.000 0.487 774 F N 5.088 124.760 119.950 -0.463 0.000 2.399 774 F HA 0.550 5.077 4.527 0.000 0.000 0.313 774 F C 1.376 177.062 175.800 -0.191 0.000 1.202 774 F CA -0.855 56.956 58.000 -0.315 0.000 1.192 774 F CB 0.031 38.866 39.000 -0.274 0.000 1.256 774 F HN 0.785 nan 8.300 nan 0.000 0.558 775 G N 1.264 109.585 108.800 -0.798 0.000 2.380 775 G HA2 -0.382 3.578 3.960 0.000 0.000 0.298 775 G HA3 -0.382 3.578 3.960 0.000 0.000 0.298 775 G C 0.061 174.685 174.900 -0.460 0.000 0.989 775 G CA 0.771 45.413 45.100 -0.763 0.000 0.836 775 G HN 0.976 nan 8.290 nan 0.000 0.511 776 Y N -1.099 118.912 120.300 -0.482 0.000 2.258 776 Y HA 0.219 4.768 4.550 -0.000 0.000 0.345 776 Y C 2.029 177.790 175.900 -0.232 0.000 1.303 776 Y CA -0.058 57.839 58.100 -0.339 0.000 1.537 776 Y CB 0.844 39.128 38.460 -0.293 0.000 1.383 776 Y HN 0.223 nan 8.280 nan 0.000 0.606 777 V N -0.677 118.827 119.914 -0.683 0.000 2.878 777 V HA 0.044 4.164 4.120 0.000 0.000 0.250 777 V C 0.085 176.022 176.094 -0.263 0.000 1.075 777 V CA 1.112 63.129 62.300 -0.471 0.000 1.096 777 V CB -0.275 31.204 31.823 -0.573 0.000 0.724 777 V HN 0.699 nan 8.190 nan 0.000 0.467 778 N N 1.438 120.019 118.700 -0.200 0.000 2.746 778 N HA 0.538 5.279 4.740 0.000 0.000 0.250 778 N C -0.160 175.383 175.510 0.055 0.000 1.146 778 N CA 0.553 53.659 53.050 0.093 0.000 0.828 778 N CB 0.622 39.226 38.487 0.196 0.000 1.158 778 N HN 0.785 nan 8.380 nan 0.000 0.519 779 G N 2.676 111.274 108.800 -0.336 0.000 2.992 779 G HA2 -0.078 3.882 3.960 0.000 0.000 0.677 779 G HA3 -0.078 3.882 3.960 0.000 0.000 0.677 779 G C -0.749 173.886 174.900 -0.442 0.000 1.191 779 G CA -0.808 43.747 45.100 -0.908 0.000 1.178 779 G HN 0.424 nan 8.290 nan 0.000 0.506 780 I N 3.305 123.638 120.570 -0.395 0.000 2.282 780 I HA 0.143 4.313 4.170 0.000 0.000 0.290 780 I C 1.688 177.684 176.117 -0.202 0.000 1.090 780 I CA -0.702 60.462 61.300 -0.226 0.000 1.231 780 I CB 1.574 39.488 38.000 -0.144 0.000 1.434 780 I HN 0.560 nan 8.210 nan 0.000 0.487 781 Q N 4.704 124.381 119.800 -0.205 0.000 2.197 781 Q HA -0.173 4.167 4.340 0.000 0.000 0.207 781 Q C 1.936 177.872 176.000 -0.107 0.000 0.984 781 Q CA 2.093 57.785 55.803 -0.186 0.000 0.869 781 Q CB 0.047 28.655 28.738 -0.217 0.000 0.906 781 Q HN 0.889 nan 8.270 nan 0.000 0.426 782 G N 0.420 109.189 108.800 -0.051 0.000 2.498 782 G HA2 -0.228 3.732 3.960 0.000 0.000 0.219 782 G HA3 -0.228 3.732 3.960 0.000 0.000 0.219 782 G C 0.876 175.773 174.900 -0.005 0.000 1.119 782 G CA 0.789 45.896 45.100 0.011 0.000 0.766 782 G HN 0.367 nan 8.290 nan 0.000 0.552 783 D N 0.059 120.443 120.400 -0.027 0.000 2.263 783 D HA -0.092 4.548 4.640 0.000 0.000 0.208 783 D C 2.579 178.898 176.300 0.032 0.000 0.971 783 D CA 1.247 55.247 54.000 0.000 0.000 0.867 783 D CB 0.033 40.826 40.800 -0.013 0.000 0.929 783 D HN 0.432 nan 8.370 nan 0.000 0.492 784 V N -2.047 117.864 119.914 -0.006 0.000 3.483 784 V HA 0.212 4.332 4.120 0.000 0.000 0.301 784 V C 0.665 176.739 176.094 -0.034 0.000 1.389 784 V CA -0.141 62.166 62.300 0.012 0.000 1.101 784 V CB -0.581 31.218 31.823 -0.040 0.000 0.971 784 V HN -0.005 nan 8.190 nan 0.000 0.434 785 T N 0.229 114.734 114.554 -0.082 0.000 2.913 785 T HA 0.518 4.868 4.350 0.000 0.000 0.287 785 T C 0.459 174.927 174.700 -0.387 0.000 1.008 785 T CA 0.448 62.446 62.100 -0.170 0.000 1.067 785 T CB 1.382 70.190 68.868 -0.100 0.000 0.996 785 T HN 0.676 nan 8.240 nan 0.000 0.513 786 T N -0.957 113.251 114.554 -0.576 0.000 2.824 786 T HA 0.250 4.600 4.350 0.000 0.000 0.277 786 T C 0.857 175.246 174.700 -0.519 0.000 0.975 786 T CA -0.404 61.014 62.100 -1.136 0.000 0.966 786 T CB 0.770 69.100 68.868 -0.896 0.000 1.054 786 T HN 0.749 nan 8.240 nan 0.000 0.533 787 D N -1.442 118.740 120.400 -0.363 0.000 2.340 787 D HA -0.041 4.599 4.640 0.000 0.000 0.220 787 D C 0.090 176.475 176.300 0.141 0.000 1.039 787 D CA -0.539 53.486 54.000 0.040 0.000 0.866 787 D CB -0.301 40.605 40.800 0.176 0.000 0.913 787 D HN 0.629 nan 8.370 nan 0.000 0.523 788 W N 3.020 124.302 121.300 -0.030 0.000 2.216 788 W HA 0.276 4.934 4.660 -0.003 0.000 0.326 788 W C 0.158 176.698 176.519 0.036 0.000 1.319 788 W CA 0.493 57.870 57.345 0.055 0.000 1.213 788 W CB 0.808 30.320 29.460 0.087 0.000 1.171 788 W HN -0.071 nan 8.180 nan 0.000 0.557 789 T N 2.570 116.598 114.554 -0.877 0.000 2.883 789 T HA 0.336 4.686 4.350 0.000 0.000 0.301 789 T C -0.266 173.593 174.700 -1.402 0.000 1.158 789 T CA -1.040 60.593 62.100 -0.779 0.000 1.007 789 T CB 1.677 70.256 68.868 -0.482 0.000 1.186 789 T HN 0.505 nan 8.240 nan 0.000 0.499 790 D N 0.685 120.639 120.400 -0.743 0.000 2.376 790 D HA 0.113 4.753 4.640 0.000 0.000 0.268 790 D C 1.652 177.774 176.300 -0.297 0.000 1.252 790 D CA -0.660 53.070 54.000 -0.449 0.000 1.041 790 D CB 0.442 41.262 40.800 0.033 0.000 1.109 790 D HN 0.840 nan 8.370 nan 0.000 0.552 791 R N -0.818 119.593 120.500 -0.148 0.000 2.159 791 R HA -0.131 4.209 4.340 0.000 0.000 0.237 791 R C 0.156 176.351 176.300 -0.174 0.000 1.131 791 R CA 1.492 57.492 56.100 -0.166 0.000 0.982 791 R CB -0.377 29.802 30.300 -0.202 0.000 0.868 791 R HN 0.308 nan 8.270 nan 0.000 0.453 792 D N 0.740 121.058 120.400 -0.138 0.000 2.363 792 D HA 0.221 4.861 4.640 0.000 0.000 0.214 792 D C 0.264 176.513 176.300 -0.084 0.000 1.093 792 D CA 0.099 54.020 54.000 -0.130 0.000 0.837 792 D CB 0.400 41.113 40.800 -0.145 0.000 0.948 792 D HN 0.316 nan 8.370 nan 0.000 0.507 793 I N 0.832 121.316 120.570 -0.144 0.000 5.825 793 I HA -0.234 3.936 4.170 0.000 0.000 0.126 793 I C -0.722 175.284 176.117 -0.186 0.000 1.817 793 I CA 0.120 61.288 61.300 -0.219 0.000 2.037 793 I CB -1.237 36.632 38.000 -0.219 0.000 3.397 793 I HN 0.030 nan 8.210 nan 0.000 0.169 794 I N 2.879 123.401 120.570 -0.080 0.000 2.312 794 I HA 0.385 4.555 4.170 0.000 0.000 0.290 794 I C -1.881 174.239 176.117 0.006 0.000 1.008 794 I CA -2.125 59.220 61.300 0.075 0.000 1.226 794 I CB 0.873 39.038 38.000 0.274 0.000 1.371 794 I HN -0.168 nan 8.210 nan 0.000 0.468 795 P HA 0.017 nan 4.420 nan 0.000 0.271 795 P C -0.480 176.883 177.300 0.104 0.000 1.218 795 P CA 0.082 63.016 63.100 -0.277 0.000 0.780 795 P CB 0.304 31.386 31.700 -1.029 0.000 0.901 796 Y N 2.713 123.089 120.300 0.127 0.000 2.832 796 Y HA 0.121 4.671 4.550 -0.001 0.000 0.372 796 Y C 0.427 176.429 175.900 0.170 0.000 1.238 796 Y CA -0.610 57.675 58.100 0.308 0.000 1.713 796 Y CB -0.388 38.335 38.460 0.439 0.000 1.809 796 Y HN 0.406 nan 8.280 nan 0.000 0.472 797 Y N 0.481 120.911 120.300 0.217 0.000 2.298 797 Y HA -0.262 4.288 4.550 0.001 0.000 0.287 797 Y C 1.734 177.657 175.900 0.038 0.000 1.164 797 Y CA 1.089 59.182 58.100 -0.010 0.000 1.229 797 Y CB 0.118 38.435 38.460 -0.238 0.000 0.977 797 Y HN 0.255 nan 8.280 nan 0.000 0.538 798 K N -0.174 120.479 120.400 0.423 0.000 2.404 798 K HA 0.193 4.513 4.320 0.000 0.000 0.194 798 K C 0.621 177.312 176.600 0.150 0.000 1.023 798 K CA 0.453 56.938 56.287 0.331 0.000 1.094 798 K CB 0.190 33.041 32.500 0.584 0.000 0.841 798 K HN 0.171 nan 8.250 nan 0.000 0.523 799 G N 0.959 109.453 108.800 -0.510 0.000 2.788 799 G HA2 0.356 4.316 3.960 0.000 0.000 0.327 799 G HA3 0.356 4.316 3.960 0.000 0.000 0.327 799 G C -0.876 173.822 174.900 -0.337 0.000 1.249 799 G CA -0.107 44.425 45.100 -0.947 0.000 1.063 799 G HN -0.006 nan 8.290 nan 0.000 0.497 800 T N 0.924 115.430 114.554 -0.080 0.000 2.830 800 T HA 0.639 4.989 4.350 0.000 0.000 0.322 800 T C -2.007 172.769 174.700 0.128 0.000 1.501 800 T CA -0.606 61.553 62.100 0.098 0.000 1.036 800 T CB 1.353 70.175 68.868 -0.076 0.000 1.379 800 T HN 0.425 nan 8.240 nan 0.000 0.493 801 W N 1.339 122.698 121.300 0.098 0.000 3.107 801 W HA 0.629 5.290 4.660 0.002 0.000 0.331 801 W C 0.036 176.580 176.519 0.042 0.000 1.204 801 W CA -0.817 56.619 57.345 0.151 0.000 1.184 801 W CB 2.206 31.797 29.460 0.218 0.000 1.421 801 W HN 1.142 nan 8.180 nan 0.000 0.544 802 G N 1.197 110.118 108.800 0.202 0.000 2.600 802 G HA2 0.384 4.344 3.960 0.000 0.000 0.293 802 G HA3 0.384 4.344 3.960 0.000 0.000 0.293 802 G C -1.913 172.972 174.900 -0.024 0.000 1.408 802 G CA -0.563 44.432 45.100 -0.174 0.000 0.782 802 G HN 0.175 nan 8.290 nan 0.000 0.482 803 D N -0.603 119.562 120.400 -0.392 0.000 2.268 803 D HA 0.696 5.336 4.640 0.000 0.000 0.249 803 D C -0.305 175.772 176.300 -0.371 0.000 1.008 803 D CA -0.011 53.867 54.000 -0.203 0.000 0.939 803 D CB 2.100 42.753 40.800 -0.245 0.000 1.170 803 D HN 0.266 nan 8.370 nan 0.000 0.468 804 I N 1.053 121.616 120.570 -0.011 0.000 2.499 804 I HA 0.372 4.542 4.170 0.000 0.000 0.288 804 I C -0.263 175.922 176.117 0.114 0.000 1.048 804 I CA -0.780 60.493 61.300 -0.044 0.000 1.062 804 I CB 1.750 39.568 38.000 -0.303 0.000 1.238 804 I HN 0.197 nan 8.210 nan 0.000 0.426 805 R N 4.498 125.106 120.500 0.181 0.000 2.744 805 R HA 0.551 4.891 4.340 0.000 0.000 0.279 805 R C -1.042 175.330 176.300 0.119 0.000 0.977 805 R CA -1.098 55.112 56.100 0.184 0.000 0.906 805 R CB 2.067 32.524 30.300 0.261 0.000 1.197 805 R HN 0.407 nan 8.270 nan 0.000 0.463 806 K N 1.833 122.285 120.400 0.086 0.000 2.368 806 K HA 0.103 4.423 4.320 0.000 0.000 0.282 806 K C 0.019 176.649 176.600 0.050 0.000 1.035 806 K CA -0.293 56.028 56.287 0.057 0.000 0.973 806 K CB 1.207 33.731 32.500 0.041 0.000 0.957 806 K HN 0.555 nan 8.250 nan 0.000 0.474 807 V N 2.933 122.871 119.914 0.039 0.000 2.581 807 V HA 0.282 4.402 4.120 0.000 0.000 0.240 807 V C 0.969 177.059 176.094 -0.006 0.000 1.054 807 V CA 1.097 63.407 62.300 0.016 0.000 1.076 807 V CB 0.376 32.204 31.823 0.010 0.000 0.748 807 V HN 1.062 nan 8.190 nan 0.000 0.474 808 G N -0.962 107.833 108.800 -0.009 0.000 2.325 808 G HA2 0.408 4.368 3.960 0.000 0.000 0.295 808 G HA3 0.408 4.368 3.960 0.000 0.000 0.295 808 G C -1.334 173.546 174.900 -0.034 0.000 1.274 808 G CA 0.360 45.444 45.100 -0.027 0.000 0.857 808 G HN 0.148 nan 8.290 nan 0.000 0.499 809 S N -1.226 114.443 115.700 -0.051 0.000 2.578 809 S HA 0.758 5.228 4.470 0.000 0.000 0.301 809 S C -0.677 173.854 174.600 -0.115 0.000 1.091 809 S CA -0.457 57.708 58.200 -0.058 0.000 1.032 809 S CB 1.467 64.644 63.200 -0.038 0.000 1.064 809 S HN 0.774 nan 8.310 nan 0.000 0.508 810 M N 3.773 123.281 119.600 -0.152 0.000 1.999 810 M HA 0.439 4.919 4.480 0.000 0.000 0.299 810 M C 0.646 176.865 176.300 -0.136 0.000 0.900 810 M CA -0.007 55.114 55.300 -0.299 0.000 0.904 810 M CB 0.883 32.985 32.600 -0.829 0.000 1.477 810 M HN 0.644 nan 8.290 nan 0.000 0.403 811 S N 1.437 117.092 115.700 -0.075 0.000 2.374 811 S HA -0.200 4.270 4.470 0.000 0.000 0.227 811 S C 1.547 176.177 174.600 0.050 0.000 1.037 811 S CA 1.962 60.161 58.200 -0.002 0.000 1.024 811 S CB -0.146 63.048 63.200 -0.009 0.000 0.861 811 S HN 0.835 nan 8.310 nan 0.000 0.456 812 E N 0.880 121.103 120.200 0.038 0.000 2.118 812 E HA -0.133 4.217 4.350 0.000 0.000 0.195 812 E C 1.536 178.319 176.600 0.306 0.000 0.992 812 E CA 1.212 57.692 56.400 0.134 0.000 0.804 812 E CB -0.343 29.434 29.700 0.128 0.000 0.741 812 E HN 0.432 nan 8.360 nan 0.000 0.458 813 F N 1.022 121.011 119.950 0.066 0.000 2.171 813 F HA -0.020 4.507 4.527 -0.000 0.000 0.300 813 F C 1.997 177.874 175.800 0.128 0.000 1.090 813 F CA 1.140 59.202 58.000 0.103 0.000 1.293 813 F CB -0.602 38.498 39.000 0.166 0.000 1.013 813 F HN 0.091 nan 8.300 nan 0.000 0.486 814 K N -0.269 120.323 120.400 0.321 0.000 2.155 814 K HA -0.115 4.205 4.320 0.000 0.000 0.203 814 K C 2.223 178.903 176.600 0.133 0.000 1.052 814 K CA 0.727 57.154 56.287 0.234 0.000 0.948 814 K CB -0.088 32.500 32.500 0.147 0.000 0.728 814 K HN 0.132 nan 8.250 nan 0.000 0.448 815 R N 0.943 121.507 120.500 0.107 0.000 2.073 815 R HA -0.100 4.240 4.340 0.000 0.000 0.229 815 R C 2.149 178.462 176.300 0.023 0.000 1.120 815 R CA 2.008 58.142 56.100 0.057 0.000 0.967 815 R CB -0.019 30.313 30.300 0.053 0.000 0.862 815 R HN 0.270 nan 8.270 nan 0.000 0.436 816 T N -2.736 111.829 114.554 0.020 0.000 3.023 816 T HA 0.195 4.545 4.350 0.000 0.000 0.249 816 T C 0.545 175.153 174.700 -0.154 0.000 1.050 816 T CA -0.216 61.856 62.100 -0.048 0.000 1.088 816 T CB 0.285 69.136 68.868 -0.028 0.000 0.946 816 T HN -0.076 nan 8.240 nan 0.000 0.480 817 V N 3.017 122.800 119.914 -0.217 0.000 2.432 817 V HA 0.504 4.624 4.120 0.000 0.000 0.271 817 V C 0.524 176.197 176.094 -0.703 0.000 1.046 817 V CA -0.851 61.135 62.300 -0.523 0.000 0.945 817 V CB 1.013 32.401 31.823 -0.725 0.000 0.992 817 V HN 0.494 nan 8.190 nan 0.000 0.471 818 S N 3.815 119.145 115.700 -0.617 0.000 2.548 818 S HA 0.453 4.923 4.470 0.000 0.000 0.277 818 S C -0.137 174.008 174.600 -0.759 0.000 1.315 818 S CA -0.265 57.653 58.200 -0.471 0.000 1.050 818 S CB 0.092 63.135 63.200 -0.262 0.000 0.918 818 S HN 0.494 nan 8.310 nan 0.000 0.497 819 F N 2.864 122.658 119.950 -0.259 0.000 2.805 819 F HA 0.403 4.929 4.527 -0.000 0.000 0.317 819 F C 0.905 176.641 175.800 -0.107 0.000 1.146 819 F CA -0.587 57.116 58.000 -0.495 0.000 1.265 819 F CB 0.308 38.995 39.000 -0.523 0.000 0.992 819 F HN 0.397 nan 8.300 nan 0.000 0.511 820 K N 0.102 120.559 120.400 0.096 0.000 2.138 820 K HA 0.234 4.554 4.320 0.000 0.000 0.251 820 K C 0.760 177.478 176.600 0.197 0.000 1.015 820 K CA -0.370 55.989 56.287 0.121 0.000 0.917 820 K CB 0.854 33.378 32.500 0.040 0.000 1.021 820 K HN -0.008 nan 8.250 nan 0.000 0.485 821 S N 0.574 116.347 115.700 0.123 0.000 2.552 821 S HA -0.011 4.459 4.470 0.000 0.000 0.289 821 S C 0.686 175.306 174.600 0.034 0.000 1.304 821 S CA -0.039 58.209 58.200 0.080 0.000 1.063 821 S CB 0.281 63.496 63.200 0.025 0.000 0.848 821 S HN 0.473 nan 8.310 nan 0.000 0.499 822 R N 2.364 122.858 120.500 -0.011 0.000 2.334 822 R HA 0.187 4.527 4.340 0.000 0.000 0.216 822 R C -0.190 176.087 176.300 -0.038 0.000 0.905 822 R CA -0.088 55.997 56.100 -0.026 0.000 1.064 822 R CB 0.238 30.485 30.300 -0.089 0.000 1.046 822 R HN 0.358 nan 8.270 nan 0.000 0.508 823 R N 0.785 121.257 120.500 -0.047 0.000 2.207 823 R HA 0.142 4.482 4.340 0.000 0.000 0.334 823 R C -0.959 175.326 176.300 -0.025 0.000 1.013 823 R CA -0.460 55.606 56.100 -0.057 0.000 0.858 823 R CB 0.198 30.459 30.300 -0.065 0.000 1.094 823 R HN -0.062 nan 8.270 nan 0.000 0.457 824 F N 3.499 123.336 119.950 -0.189 0.000 2.502 824 F HA 0.348 4.875 4.527 -0.000 0.000 0.371 824 F C 1.218 176.903 175.800 -0.192 0.000 1.083 824 F CA 1.406 59.278 58.000 -0.214 0.000 1.174 824 F CB 0.179 38.995 39.000 -0.307 0.000 1.096 824 F HN 0.786 nan 8.300 nan 0.000 0.545 825 G N 0.000 108.525 108.800 -0.458 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 44.943 45.100 -0.261 0.000 0.502 825 G HN 0.000 nan 8.290 nan 0.000 0.925