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 3pie_1_B DATA FIRST_RESID 3 DATA SEQUENCE IPKFFHFISE RWPQISQLID GSQIPEFDNL YLDMNSILHN CTHGXXXXXX DATA SEQUENCE XRLSEEEVYS KIFSYIDHLF HTIKPKQTFY MAIDGVAPRA KMNQQRARRF DATA SEQUENCE RTAMDAEKAL QKAXXXXXXX XXXXXFDSNA ITPGTEFMAK LTENLKYFIH DATA SEQUENCE DKITNDTRWQ NVKVIFSGHE VPGEGQHKIM DYIRAIRAQE DYNPNTRHCI DATA SEQUENCE YGLDADLIIL GLSTHDHHFC LLREEVTXXX XXXXXXTLET QNFFLLHLSI DATA SEQUENCE LREYLALEFE EITDSVQFEY DFERVLDDFI FVLFTIGNDF LPNLPDLHLK DATA SEQUENCE KGAFPVLLQT FKEALQHMDG YINEQGKINL ARFSIWLKYL SDFEYLNFEK DATA SEQUENCE KDIDVEWFNQ QLENISLEGE RKRTRMGKKL LMKQQKKLIG AVKPWLLKTV DATA SEQUENCE QRKVTSXXXD ADFEIFPLED KELVRANLDF LKEFAFDLGL ILAHSKSKDL DATA SEQUENCE YYFKLDLDSI XXXXXX???? ?????????? ?????XXXXX XXXXXXXXXX DATA SEQUENCE XYSERFVEWK DQYYKDKXXX XXXDTDSLKE MTENYVGGLQ WVLYYYYRGC DATA SEQUENCE PSWSWYYRYH YAPRISDVIK GIDQNIEFHK GQPFKPFQQL MAVLPERSKN DATA SEQUENCE LIPVVYXXXX XXXXXXXXXF YPNEVXXXXX XXXXXXXXVV KISFVDQKRL DATA SEQUENCE VEAMAPYDAK LSPDEKKRNS FGTDLIFIFN PQVDTVYKTP LAGLFNDIEH DATA SEQUENCE NHCIEREFIP ESMENVKFLF GLPKGAKLGA SSLAGFPSLK TLPLTAELAY DATA SEQUENCE NSSVVFNFPS KQQSMVLHIQ DLYXXXXXSL SDLAKRHMGK IVYSRWPFLR DATA SEQUENCE ESKLLSLITE ETVYEGVKSG KLTKVIERKP QDFERKEFRE LKMTLKSNYQ DATA SEQUENCE RTKAILLDDI SALAKVVPVN GLVRNSDGSY SKSFNETIEY YPLQLIVEDV DATA SEQUENCE KNKDERYIEK EPLPINKEFP KGSKVVFLGD YAYGGEATVD GYNSETRLKL DATA SEQUENCE TVKKGSLRAE PNIGKVRAKL DSQALRFYPT QXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXX??????? ?????????? DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX VADWLSEARK DATA SEQUENCE PFVVVSLESD SLTKASMAAV ESEIIKYVSL PDSSEQKKLA KVPREAILNA DATA SEQUENCE ESSYVLLRSQ RFHLGDRVMY IQDSGKVPLH SKGTVVGYTS IGKNVSIQVL DATA SEQUENCE FDNEIIAGNN FGGRLQTRRG LGLDSSFLLN LSDRQLVY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.266 176.117 0.248 0.000 1.063 3 I CA 0.000 61.389 61.300 0.147 0.000 1.566 3 I CB 0.000 38.050 38.000 0.084 0.000 1.214 4 P HA -0.272 nan 4.420 nan 0.000 0.221 4 P C 0.693 178.139 177.300 0.242 0.000 0.967 4 P CA 1.722 64.925 63.100 0.172 0.000 1.038 4 P CB 0.136 31.901 31.700 0.108 0.000 0.731 5 K N -2.488 118.128 120.400 0.360 0.000 2.681 5 K HA 0.174 4.493 4.320 -0.002 0.000 0.211 5 K C 1.150 177.988 176.600 0.396 0.000 1.075 5 K CA -0.340 56.155 56.287 0.347 0.000 1.141 5 K CB -0.715 31.944 32.500 0.265 0.000 0.896 5 K HN 0.154 nan 8.250 nan 0.000 0.470 6 F N 0.786 120.886 119.950 0.251 0.000 2.060 6 F HA -0.186 4.339 4.527 -0.002 0.000 0.295 6 F C 1.859 177.753 175.800 0.157 0.000 1.120 6 F CA 1.127 59.203 58.000 0.128 0.000 1.205 6 F CB -0.411 38.688 39.000 0.164 0.000 0.986 6 F HN 0.101 nan 8.300 nan 0.000 0.470 7 F N 0.899 120.805 119.950 -0.074 0.000 2.015 7 F HA -0.299 4.226 4.527 -0.002 0.000 0.297 7 F C 2.757 178.486 175.800 -0.118 0.000 1.141 7 F CA 2.566 60.460 58.000 -0.175 0.000 1.192 7 F CB -1.452 37.524 39.000 -0.040 0.000 0.957 7 F HN 0.242 nan 8.300 nan 0.000 0.491 8 H N -1.467 117.527 119.070 -0.126 0.000 2.297 8 H HA -0.338 4.217 4.556 -0.002 0.000 0.289 8 H C 2.209 177.444 175.328 -0.154 0.000 1.105 8 H CA 2.554 58.481 56.048 -0.200 0.000 1.219 8 H CB -0.657 29.020 29.762 -0.141 0.000 1.351 8 H HN 0.385 nan 8.280 nan 0.000 0.481 9 F N 0.341 120.214 119.950 -0.129 0.000 2.102 9 F HA -0.160 4.365 4.527 -0.002 0.000 0.298 9 F C 2.319 177.815 175.800 -0.507 0.000 1.105 9 F CA 1.538 59.367 58.000 -0.284 0.000 1.239 9 F CB -0.551 38.136 39.000 -0.522 0.000 0.991 9 F HN 0.239 nan 8.300 nan 0.000 0.474 10 I N -0.552 119.480 120.570 -0.897 0.000 2.353 10 I HA -0.252 3.917 4.170 -0.002 0.000 0.248 10 I C 2.235 177.887 176.117 -0.775 0.000 1.119 10 I CA 1.387 62.082 61.300 -1.008 0.000 1.417 10 I CB -0.366 37.156 38.000 -0.797 0.000 1.078 10 I HN 0.161 nan 8.210 nan 0.000 0.421 11 S N 0.360 115.663 115.700 -0.662 0.000 2.383 11 S HA -0.151 4.318 4.470 -0.002 0.000 0.227 11 S C 1.642 175.908 174.600 -0.558 0.000 1.026 11 S CA 1.106 58.950 58.200 -0.593 0.000 0.981 11 S CB -0.181 62.632 63.200 -0.645 0.000 0.818 11 S HN 0.495 nan 8.310 nan 0.000 0.472 12 E N 0.495 120.396 120.200 -0.498 0.000 2.385 12 E HA 0.068 4.417 4.350 -0.002 0.000 0.194 12 E C 2.141 178.427 176.600 -0.523 0.000 1.013 12 E CA 0.024 56.171 56.400 -0.421 0.000 0.866 12 E CB 0.038 29.626 29.700 -0.187 0.000 0.832 12 E HN 0.303 nan 8.360 nan 0.000 0.500 13 R N 0.184 120.182 120.500 -0.838 0.000 2.093 13 R HA -0.041 4.298 4.340 -0.002 0.000 0.224 13 R C -0.065 175.652 176.300 -0.973 0.000 1.101 13 R CA 0.773 56.217 56.100 -1.095 0.000 0.979 13 R CB 0.453 29.596 30.300 -1.928 0.000 0.877 13 R HN 0.068 nan 8.270 nan 0.000 0.441 14 W N 0.617 121.490 121.300 -0.711 0.000 2.516 14 W HA 0.352 5.011 4.660 -0.002 0.000 0.293 14 W C -2.553 173.425 176.519 -0.902 0.000 1.006 14 W CA -2.529 54.108 57.345 -1.181 0.000 1.483 14 W CB 1.369 30.064 29.460 -1.276 0.000 1.316 14 W HN -0.023 nan 8.180 nan 0.000 0.411 15 P HA 0.101 nan 4.420 nan 0.000 0.249 15 P C 0.328 177.569 177.300 -0.098 0.000 1.583 15 P CA 0.670 63.608 63.100 -0.270 0.000 0.988 15 P CB 0.402 31.968 31.700 -0.223 0.000 1.530 16 Q N -0.058 119.766 119.800 0.039 0.000 2.106 16 Q HA 0.257 4.596 4.340 -0.002 0.000 0.273 16 Q C 1.123 177.313 176.000 0.317 0.000 0.853 16 Q CA -0.072 55.865 55.803 0.223 0.000 1.118 16 Q CB 0.434 29.370 28.738 0.329 0.000 1.240 16 Q HN 0.347 nan 8.270 nan 0.000 0.445 17 I N -4.101 116.583 120.570 0.191 0.000 3.228 17 I HA 0.237 4.406 4.170 -0.002 0.000 0.279 17 I C 0.485 176.808 176.117 0.343 0.000 1.221 17 I CA 0.204 61.661 61.300 0.261 0.000 1.458 17 I CB 0.674 38.770 38.000 0.159 0.000 1.105 17 I HN -0.169 nan 8.210 nan 0.000 0.445 18 S N 2.169 118.007 115.700 0.231 0.000 2.451 18 S HA 0.344 4.813 4.470 -0.002 0.000 0.301 18 S C -0.444 174.287 174.600 0.218 0.000 1.116 18 S CA -0.486 57.874 58.200 0.266 0.000 1.093 18 S CB 1.432 64.708 63.200 0.127 0.000 1.017 18 S HN 0.450 nan 8.310 nan 0.000 0.482 19 Q N 4.049 124.018 119.800 0.282 0.000 2.464 19 Q HA 0.307 4.646 4.340 -0.002 0.000 0.256 19 Q C -0.953 175.157 176.000 0.183 0.000 1.020 19 Q CA -0.848 54.972 55.803 0.028 0.000 0.716 19 Q CB 0.640 29.228 28.738 -0.250 0.000 1.230 19 Q HN 0.604 nan 8.270 nan 0.000 0.494 20 L N 4.363 125.684 121.223 0.164 0.000 2.837 20 L HA -0.100 4.239 4.340 -0.002 0.000 0.300 20 L C -0.871 175.881 176.870 -0.197 0.000 1.211 20 L CA 1.450 56.102 54.840 -0.314 0.000 0.890 20 L CB 0.159 42.076 42.059 -0.237 0.000 1.200 20 L HN 0.664 nan 8.230 nan 0.000 0.492 21 I N 5.636 126.073 120.570 -0.222 0.000 2.312 21 I HA 0.183 4.352 4.170 -0.002 0.000 0.291 21 I C -0.008 176.053 176.117 -0.093 0.000 1.031 21 I CA 0.066 61.310 61.300 -0.094 0.000 1.293 21 I CB 0.560 38.533 38.000 -0.045 0.000 1.403 21 I HN 0.742 nan 8.210 nan 0.000 0.484 22 D N 4.562 124.922 120.400 -0.066 0.000 2.673 22 D HA 0.209 4.848 4.640 -0.002 0.000 0.278 22 D C 0.918 177.202 176.300 -0.027 0.000 1.393 22 D CA 0.117 54.086 54.000 -0.052 0.000 0.805 22 D CB 0.630 41.396 40.800 -0.058 0.000 1.110 22 D HN 0.695 nan 8.370 nan 0.000 0.476 23 G N 0.807 109.593 108.800 -0.024 0.000 2.363 23 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.238 23 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.238 23 G C 0.584 175.472 174.900 -0.019 0.000 1.062 23 G CA 0.481 45.570 45.100 -0.019 0.000 0.629 23 G HN 1.067 nan 8.290 nan 0.000 0.514 24 S N 0.710 116.403 115.700 -0.012 0.000 2.589 24 S HA 0.463 4.932 4.470 -0.002 0.000 0.265 24 S C 0.474 175.072 174.600 -0.003 0.000 1.342 24 S CA 0.656 58.857 58.200 0.002 0.000 1.005 24 S CB 1.145 64.351 63.200 0.011 0.000 0.909 24 S HN 1.418 nan 8.310 nan 0.000 0.555 25 Q N 1.919 121.728 119.800 0.014 0.000 2.313 25 Q HA 0.411 4.750 4.340 -0.002 0.000 0.266 25 Q C 0.088 176.078 176.000 -0.017 0.000 0.989 25 Q CA -0.681 55.118 55.803 -0.006 0.000 0.890 25 Q CB 0.246 28.983 28.738 -0.001 0.000 1.200 25 Q HN 0.773 nan 8.270 nan 0.000 0.396 26 I N 0.011 120.566 120.570 -0.026 0.000 2.934 26 I HA 0.627 4.796 4.170 -0.002 0.000 0.315 26 I C -2.292 173.771 176.117 -0.091 0.000 0.997 26 I CA -3.085 58.208 61.300 -0.012 0.000 1.184 26 I CB 0.701 38.732 38.000 0.052 0.000 1.400 26 I HN 0.520 nan 8.210 nan 0.000 0.549 27 P HA 0.204 nan 4.420 nan 0.000 0.274 27 P C -1.194 175.872 177.300 -0.389 0.000 1.246 27 P CA -0.294 62.566 63.100 -0.400 0.000 0.795 27 P CB 0.401 31.572 31.700 -0.881 0.000 1.006 28 E N 0.336 120.347 120.200 -0.316 0.000 2.354 28 E HA 0.291 4.640 4.350 -0.002 0.000 0.269 28 E C -0.720 175.660 176.600 -0.367 0.000 1.036 28 E CA 0.017 56.281 56.400 -0.227 0.000 0.876 28 E CB 0.257 29.861 29.700 -0.161 0.000 1.009 28 E HN 0.306 nan 8.360 nan 0.000 0.416 29 F N 1.182 121.073 119.950 -0.097 0.000 2.492 29 F HA 0.180 4.706 4.527 -0.002 0.000 0.327 29 F C 1.168 176.868 175.800 -0.167 0.000 1.079 29 F CA -0.597 57.345 58.000 -0.097 0.000 0.967 29 F CB 1.466 40.379 39.000 -0.144 0.000 1.169 29 F HN 0.420 nan 8.300 nan 0.000 0.472 30 D N 0.503 120.900 120.400 -0.006 0.000 2.106 30 D HA -0.018 4.621 4.640 -0.002 0.000 0.203 30 D C -0.048 176.172 176.300 -0.133 0.000 0.977 30 D CA 1.418 55.354 54.000 -0.107 0.000 0.844 30 D CB 0.106 40.800 40.800 -0.177 0.000 1.002 30 D HN 0.345 nan 8.370 nan 0.000 0.461 31 N N 0.174 118.743 118.700 -0.218 0.000 2.319 31 N HA 0.462 5.201 4.740 -0.002 0.000 0.305 31 N C -0.953 174.242 175.510 -0.525 0.000 1.103 31 N CA -0.589 52.256 53.050 -0.342 0.000 0.815 31 N CB 2.607 40.853 38.487 -0.400 0.000 1.288 31 N HN 0.011 nan 8.380 nan 0.000 0.493 32 L N 1.295 122.211 121.223 -0.512 0.000 2.385 32 L HA 0.575 4.913 4.340 -0.002 0.000 0.273 32 L C -1.829 174.827 176.870 -0.356 0.000 0.990 32 L CA -0.592 53.982 54.840 -0.442 0.000 0.821 32 L CB 1.080 43.017 42.059 -0.202 0.000 1.279 32 L HN 0.479 nan 8.230 nan 0.000 0.412 33 Y N 5.162 125.545 120.300 0.139 0.000 2.350 33 Y HA 0.651 5.200 4.550 -0.002 0.000 0.338 33 Y C -0.647 175.386 175.900 0.221 0.000 0.961 33 Y CA -0.941 57.249 58.100 0.149 0.000 1.100 33 Y CB 1.604 40.102 38.460 0.063 0.000 1.179 33 Y HN 0.383 nan 8.280 nan 0.000 0.454 34 L N 3.255 124.703 121.223 0.376 0.000 2.307 34 L HA 0.410 4.749 4.340 -0.002 0.000 0.284 34 L C -0.590 176.493 176.870 0.355 0.000 1.023 34 L CA -0.788 54.304 54.840 0.421 0.000 0.810 34 L CB 1.422 43.719 42.059 0.397 0.000 1.231 34 L HN 0.587 nan 8.230 nan 0.000 0.423 35 D N 3.410 124.017 120.400 0.345 0.000 2.479 35 D HA 0.254 4.892 4.640 -0.002 0.000 0.218 35 D C 0.659 177.130 176.300 0.285 0.000 1.131 35 D CA -0.164 53.986 54.000 0.251 0.000 0.916 35 D CB 1.108 42.005 40.800 0.162 0.000 1.022 35 D HN 0.464 nan 8.370 nan 0.000 0.515 36 M N 1.767 121.529 119.600 0.270 0.000 2.492 36 M HA -0.035 4.444 4.480 -0.002 0.000 0.262 36 M C 1.496 177.902 176.300 0.176 0.000 1.090 36 M CA 0.366 55.816 55.300 0.249 0.000 1.110 36 M CB -0.059 32.687 32.600 0.244 0.000 1.407 36 M HN 0.226 nan 8.290 nan 0.000 0.470 37 N N 0.306 119.111 118.700 0.176 0.000 2.091 37 N HA -0.203 4.536 4.740 -0.002 0.000 0.193 37 N C 1.775 177.380 175.510 0.158 0.000 1.021 37 N CA 2.125 55.267 53.050 0.153 0.000 0.862 37 N CB -0.146 38.462 38.487 0.202 0.000 1.018 37 N HN 0.411 nan 8.380 nan 0.000 0.429 38 S N -0.111 115.696 115.700 0.179 0.000 2.402 38 S HA -0.031 4.438 4.470 -0.002 0.000 0.229 38 S C 1.898 176.538 174.600 0.067 0.000 1.021 38 S CA 0.648 58.950 58.200 0.171 0.000 0.974 38 S CB -0.514 62.764 63.200 0.129 0.000 0.800 38 S HN 0.293 nan 8.310 nan 0.000 0.484 39 I N 1.436 122.004 120.570 -0.003 0.000 2.394 39 I HA -0.097 4.071 4.170 -0.002 0.000 0.251 39 I C 2.367 178.384 176.117 -0.167 0.000 1.136 39 I CA 0.878 62.049 61.300 -0.215 0.000 1.425 39 I CB -0.419 37.435 38.000 -0.244 0.000 1.079 39 I HN 0.268 nan 8.210 nan 0.000 0.425 40 L N -0.072 121.085 121.223 -0.109 0.000 2.005 40 L HA -0.216 4.123 4.340 -0.002 0.000 0.207 40 L C 2.734 179.474 176.870 -0.216 0.000 1.072 40 L CA 1.386 56.114 54.840 -0.187 0.000 0.744 40 L CB -1.037 40.915 42.059 -0.180 0.000 0.895 40 L HN 0.363 nan 8.230 nan 0.000 0.433 41 H N -0.745 118.345 119.070 0.033 0.000 2.457 41 H HA -0.119 4.436 4.556 -0.002 0.000 0.294 41 H C 2.003 177.384 175.328 0.089 0.000 1.064 41 H CA 1.225 57.346 56.048 0.120 0.000 1.330 41 H CB -0.191 29.665 29.762 0.157 0.000 1.395 41 H HN 0.349 nan 8.280 nan 0.000 0.541 42 N N 1.132 119.881 118.700 0.082 0.000 2.062 42 N HA -0.111 4.628 4.740 -0.002 0.000 0.191 42 N C 1.582 177.064 175.510 -0.046 0.000 1.042 42 N CA 1.164 54.230 53.050 0.027 0.000 0.845 42 N CB -0.568 37.892 38.487 -0.044 0.000 1.024 42 N HN 0.138 nan 8.380 nan 0.000 0.424 43 C N -0.279 118.939 119.300 -0.138 0.000 2.525 43 C HA 0.181 4.640 4.460 -0.002 0.000 0.279 43 C C 1.891 176.699 174.990 -0.304 0.000 1.437 43 C CA 0.433 59.339 59.018 -0.186 0.000 1.704 43 C CB -1.555 26.053 27.740 -0.220 0.000 1.672 43 C HN 0.481 nan 8.230 nan 0.000 0.582 44 T N -1.613 112.708 114.554 -0.388 0.000 2.955 44 T HA 0.139 4.488 4.350 -0.002 0.000 0.251 44 T C 0.716 174.945 174.700 -0.786 0.000 1.002 44 T CA 0.664 62.317 62.100 -0.745 0.000 0.970 44 T CB 0.355 68.598 68.868 -1.042 0.000 1.091 44 T HN 0.614 nan 8.240 nan 0.000 0.495 45 H N -0.175 118.826 119.070 -0.115 0.000 5.156 45 H HA 0.604 5.159 4.556 -0.002 0.000 0.174 45 H C 1.279 176.592 175.328 -0.025 0.000 1.325 45 H CA -0.344 55.679 56.048 -0.041 0.000 0.402 45 H CB -0.461 29.304 29.762 0.006 0.000 1.600 45 H HN 0.203 nan 8.280 nan 0.000 0.311 55 L N 1.264 122.481 121.223 -0.010 0.000 2.331 55 L HA 0.559 4.898 4.340 -0.002 0.000 0.268 55 L C 0.983 177.855 176.870 0.003 0.000 1.015 55 L CA -0.253 54.580 54.840 -0.013 0.000 0.807 55 L CB 1.354 43.388 42.059 -0.041 0.000 1.293 55 L HN 0.847 nan 8.230 nan 0.000 0.451 56 S N -0.636 115.073 115.700 0.016 0.000 2.647 56 S HA 0.057 4.526 4.470 -0.002 0.000 0.251 56 S C 0.894 175.528 174.600 0.055 0.000 1.320 56 S CA 0.333 58.557 58.200 0.040 0.000 0.968 56 S CB 0.257 63.485 63.200 0.046 0.000 1.005 56 S HN 0.684 nan 8.310 nan 0.000 0.576 57 E N 0.445 120.699 120.200 0.090 0.000 2.099 57 E HA -0.056 4.293 4.350 -0.002 0.000 0.191 57 E C 2.132 178.822 176.600 0.150 0.000 0.962 57 E CA 0.907 57.392 56.400 0.141 0.000 0.826 57 E CB -0.265 29.530 29.700 0.157 0.000 0.788 57 E HN 0.904 nan 8.360 nan 0.000 0.461 58 E N 0.538 120.824 120.200 0.142 0.000 2.333 58 E HA -0.188 4.161 4.350 -0.002 0.000 0.198 58 E C 1.556 178.281 176.600 0.208 0.000 1.007 58 E CA 0.819 57.366 56.400 0.245 0.000 0.845 58 E CB 0.001 29.910 29.700 0.348 0.000 0.766 58 E HN 0.035 nan 8.360 nan 0.000 0.507 59 E N 0.995 121.251 120.200 0.095 0.000 2.031 59 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 59 E C 2.034 178.618 176.600 -0.027 0.000 0.994 59 E CA 1.396 57.812 56.400 0.027 0.000 0.800 59 E CB -0.175 29.523 29.700 -0.003 0.000 0.752 59 E HN 0.177 nan 8.360 nan 0.000 0.447 60 V N -0.173 119.700 119.914 -0.068 0.000 2.216 60 V HA -0.262 3.857 4.120 -0.002 0.000 0.243 60 V C 1.787 177.672 176.094 -0.348 0.000 1.044 60 V CA 1.964 64.127 62.300 -0.228 0.000 0.995 60 V CB -0.704 30.951 31.823 -0.279 0.000 0.633 60 V HN 0.343 nan 8.190 nan 0.000 0.446 61 Y N -0.095 120.009 120.300 -0.327 0.000 2.680 61 Y HA -0.093 4.456 4.550 -0.002 0.000 0.303 61 Y C 2.667 178.120 175.900 -0.745 0.000 1.166 61 Y CA 1.154 58.821 58.100 -0.723 0.000 1.344 61 Y CB -0.270 37.665 38.460 -0.875 0.000 1.002 61 Y HN 0.146 nan 8.280 nan 0.000 0.537 62 S N -0.636 115.005 115.700 -0.098 0.000 2.425 62 S HA -0.056 4.413 4.470 -0.002 0.000 0.225 62 S C 1.965 176.538 174.600 -0.046 0.000 1.024 62 S CA 0.693 58.946 58.200 0.088 0.000 0.951 62 S CB 0.095 63.370 63.200 0.125 0.000 0.796 62 S HN 0.372 nan 8.310 nan 0.000 0.498 63 K N 0.965 121.298 120.400 -0.110 0.000 2.242 63 K HA 0.169 4.488 4.320 -0.002 0.000 0.200 63 K C 1.819 178.387 176.600 -0.054 0.000 1.050 63 K CA 0.361 56.614 56.287 -0.055 0.000 0.981 63 K CB -0.188 32.282 32.500 -0.049 0.000 0.795 63 K HN 0.341 nan 8.250 nan 0.000 0.477 64 I N 1.209 121.645 120.570 -0.224 0.000 2.127 64 I HA -0.245 3.924 4.170 -0.002 0.000 0.241 64 I C 2.349 178.435 176.117 -0.052 0.000 1.075 64 I CA 1.588 62.772 61.300 -0.194 0.000 1.334 64 I CB -1.131 36.636 38.000 -0.390 0.000 1.040 64 I HN -0.059 nan 8.210 nan 0.000 0.405 65 F N 1.737 121.499 119.950 -0.314 0.000 2.102 65 F HA -0.115 4.411 4.527 -0.002 0.000 0.298 65 F C 2.957 178.523 175.800 -0.391 0.000 1.105 65 F CA 0.907 58.431 58.000 -0.794 0.000 1.239 65 F CB -1.638 36.766 39.000 -0.994 0.000 0.991 65 F HN 0.025 nan 8.300 nan 0.000 0.474 66 S N -0.852 114.876 115.700 0.047 0.000 2.359 66 S HA -0.260 4.208 4.470 -0.002 0.000 0.224 66 S C 1.982 176.669 174.600 0.145 0.000 1.035 66 S CA 1.243 59.492 58.200 0.082 0.000 1.018 66 S CB -0.870 62.345 63.200 0.026 0.000 0.876 66 S HN 0.389 nan 8.310 nan 0.000 0.448 67 Y N 1.497 121.820 120.300 0.040 0.000 2.207 67 Y HA -0.168 4.381 4.550 -0.002 0.000 0.287 67 Y C 2.013 177.990 175.900 0.128 0.000 1.156 67 Y CA 1.346 59.489 58.100 0.072 0.000 1.182 67 Y CB -0.211 38.276 38.460 0.045 0.000 0.979 67 Y HN 0.210 nan 8.280 nan 0.000 0.521 68 I N -0.599 120.193 120.570 0.370 0.000 2.163 68 I HA -0.295 3.873 4.170 -0.002 0.000 0.240 68 I C 2.125 178.540 176.117 0.498 0.000 1.081 68 I CA 1.610 63.175 61.300 0.441 0.000 1.353 68 I CB -0.429 37.884 38.000 0.522 0.000 1.054 68 I HN 0.119 nan 8.210 nan 0.000 0.407 69 D N 0.060 120.780 120.400 0.532 0.000 2.133 69 D HA -0.280 4.359 4.640 -0.002 0.000 0.195 69 D C 2.022 178.623 176.300 0.501 0.000 0.997 69 D CA 1.566 55.946 54.000 0.634 0.000 0.840 69 D CB -0.069 41.022 40.800 0.484 0.000 0.947 69 D HN 0.357 nan 8.370 nan 0.000 0.452 70 H N -0.145 119.033 119.070 0.179 0.000 2.267 70 H HA -0.048 4.507 4.556 -0.002 0.000 0.297 70 H C 2.179 177.459 175.328 -0.079 0.000 1.080 70 H CA 1.873 57.923 56.048 0.004 0.000 1.278 70 H CB -0.492 29.171 29.762 -0.165 0.000 1.365 70 H HN 0.114 nan 8.280 nan 0.000 0.489 71 L N -0.922 120.231 121.223 -0.116 0.000 2.042 71 L HA -0.181 4.158 4.340 -0.002 0.000 0.210 71 L C 2.392 179.099 176.870 -0.271 0.000 1.076 71 L CA 1.484 56.153 54.840 -0.284 0.000 0.749 71 L CB -0.684 41.262 42.059 -0.188 0.000 0.893 71 L HN 0.267 nan 8.230 nan 0.000 0.432 72 F N 0.590 120.372 119.950 -0.280 0.000 2.102 72 F HA -0.244 4.282 4.527 -0.002 0.000 0.298 72 F C 2.509 177.964 175.800 -0.575 0.000 1.105 72 F CA 1.951 59.581 58.000 -0.618 0.000 1.239 72 F CB -0.263 38.249 39.000 -0.813 0.000 0.991 72 F HN 0.053 nan 8.300 nan 0.000 0.474 73 H N -1.142 117.823 119.070 -0.174 0.000 2.428 73 H HA -0.048 4.507 4.556 -0.002 0.000 0.296 73 H C 2.184 177.315 175.328 -0.329 0.000 1.062 73 H CA 1.727 57.648 56.048 -0.211 0.000 1.350 73 H CB -0.590 29.181 29.762 0.015 0.000 1.403 73 H HN 0.180 nan 8.280 nan 0.000 0.533 74 T N 0.570 114.907 114.554 -0.362 0.000 2.737 74 T HA -0.132 4.217 4.350 -0.002 0.000 0.269 74 T C 1.659 176.155 174.700 -0.339 0.000 1.040 74 T CA 1.303 63.157 62.100 -0.411 0.000 1.142 74 T CB 0.049 68.568 68.868 -0.582 0.000 0.861 74 T HN 0.280 nan 8.240 nan 0.000 0.456 75 I N -0.328 119.983 120.570 -0.431 0.000 3.883 75 I HA 0.151 4.320 4.170 -0.002 0.000 0.305 75 I C 0.130 175.999 176.117 -0.413 0.000 1.247 75 I CA 0.380 61.443 61.300 -0.394 0.000 1.350 75 I CB -0.181 37.515 38.000 -0.506 0.000 1.194 75 I HN 0.232 nan 8.210 nan 0.000 0.441 76 K N 2.021 122.005 120.400 -0.693 0.000 4.387 76 K HA -0.118 4.201 4.320 -0.002 0.000 0.290 76 K C -2.423 173.822 176.600 -0.591 0.000 0.936 76 K CA -0.132 55.711 56.287 -0.741 0.000 0.890 76 K CB -1.468 30.809 32.500 -0.371 0.000 1.617 76 K HN 0.242 nan 8.250 nan 0.000 0.437 77 P HA 0.055 nan 4.420 nan 0.000 0.275 77 P C 0.020 177.159 177.300 -0.268 0.000 1.228 77 P CA -0.145 62.719 63.100 -0.393 0.000 0.786 77 P CB 0.882 32.366 31.700 -0.361 0.000 0.927 78 K N 0.858 121.163 120.400 -0.158 0.000 2.323 78 K HA 0.018 4.337 4.320 -0.002 0.000 0.197 78 K C 1.597 178.152 176.600 -0.075 0.000 1.043 78 K CA 0.761 56.978 56.287 -0.116 0.000 0.997 78 K CB 0.377 32.815 32.500 -0.104 0.000 0.807 78 K HN 0.411 nan 8.250 nan 0.000 0.497 79 Q N -0.988 118.777 119.800 -0.059 0.000 2.589 79 Q HA 0.149 4.488 4.340 -0.002 0.000 0.216 79 Q C 0.154 176.173 176.000 0.033 0.000 0.774 79 Q CA 0.731 56.526 55.803 -0.012 0.000 0.909 79 Q CB 1.009 29.741 28.738 -0.011 0.000 1.283 79 Q HN -0.039 nan 8.270 nan 0.000 0.597 80 T N 1.584 116.157 114.554 0.031 0.000 2.841 80 T HA 0.561 4.909 4.350 -0.002 0.000 0.283 80 T C -1.481 173.285 174.700 0.111 0.000 1.000 80 T CA -0.336 61.819 62.100 0.092 0.000 0.977 80 T CB 1.251 70.207 68.868 0.146 0.000 0.979 80 T HN 0.004 nan 8.240 nan 0.000 0.446 81 F N 3.750 123.678 119.950 -0.036 0.000 2.536 81 F HA 0.585 5.111 4.527 -0.002 0.000 0.322 81 F C -1.790 174.028 175.800 0.029 0.000 1.144 81 F CA -1.918 56.053 58.000 -0.048 0.000 0.924 81 F CB 1.106 40.069 39.000 -0.061 0.000 1.181 81 F HN 0.635 nan 8.300 nan 0.000 0.438 82 Y N 7.609 127.640 120.300 -0.448 0.000 2.402 82 Y HA 0.586 5.135 4.550 -0.002 0.000 0.325 82 Y C -1.189 174.503 175.900 -0.347 0.000 1.009 82 Y CA -0.864 57.034 58.100 -0.336 0.000 1.278 82 Y CB 1.061 39.433 38.460 -0.147 0.000 1.105 82 Y HN 0.612 nan 8.280 nan 0.000 0.476 83 M N 5.102 124.435 119.600 -0.446 0.000 2.233 83 M HA 0.684 5.163 4.480 -0.002 0.000 0.355 83 M C -0.622 175.625 176.300 -0.089 0.000 1.191 83 M CA -0.326 54.882 55.300 -0.155 0.000 1.101 83 M CB 1.545 34.141 32.600 -0.007 0.000 1.592 83 M HN 0.707 nan 8.290 nan 0.000 0.461 84 A N 4.758 127.623 122.820 0.074 0.000 2.414 84 A HA 0.756 5.075 4.320 -0.002 0.000 0.286 84 A C -0.927 176.702 177.584 0.076 0.000 1.073 84 A CA -0.662 51.392 52.037 0.029 0.000 0.727 84 A CB 0.713 19.861 19.000 0.246 0.000 1.215 84 A HN 0.840 nan 8.150 nan 0.000 0.430 85 I N 1.040 121.602 120.570 -0.013 0.000 2.676 85 I HA 0.287 4.456 4.170 -0.002 0.000 0.309 85 I C -0.430 175.762 176.117 0.125 0.000 0.990 85 I CA -0.941 60.421 61.300 0.104 0.000 1.168 85 I CB 1.295 39.400 38.000 0.176 0.000 1.343 85 I HN 0.467 nan 8.210 nan 0.000 0.482 86 D N 3.742 124.251 120.400 0.181 0.000 2.382 86 D HA 0.209 4.848 4.640 -0.002 0.000 0.259 86 D C 0.378 176.811 176.300 0.222 0.000 1.224 86 D CA 0.398 54.520 54.000 0.202 0.000 0.894 86 D CB 1.149 42.076 40.800 0.213 0.000 1.127 86 D HN 0.714 nan 8.370 nan 0.000 0.487 87 G N 1.069 109.992 108.800 0.206 0.000 2.510 87 G HA2 0.325 4.284 3.960 -0.002 0.000 0.280 87 G HA3 0.325 4.284 3.960 -0.002 0.000 0.280 87 G C -0.089 174.950 174.900 0.232 0.000 1.386 87 G CA -0.580 44.648 45.100 0.215 0.000 1.047 87 G HN 0.358 nan 8.290 nan 0.000 0.527 88 V N 0.669 120.710 119.914 0.211 0.000 2.644 88 V HA 0.331 4.449 4.120 -0.002 0.000 0.305 88 V C 1.115 177.395 176.094 0.310 0.000 1.053 88 V CA 0.320 62.752 62.300 0.221 0.000 1.186 88 V CB 0.083 32.008 31.823 0.170 0.000 0.895 88 V HN 0.915 nan 8.190 nan 0.000 0.490 89 A N 8.115 131.121 122.820 0.310 0.000 2.264 89 A HA 0.841 5.160 4.320 -0.002 0.000 0.304 89 A C -2.122 175.732 177.584 0.450 0.000 1.100 89 A CA -1.716 50.537 52.037 0.361 0.000 0.839 89 A CB 0.586 19.731 19.000 0.242 0.000 1.121 89 A HN 0.704 nan 8.150 nan 0.000 0.496 90 P HA 0.260 nan 4.420 nan 0.000 0.276 90 P C -0.002 177.371 177.300 0.122 0.000 1.252 90 P CA -0.343 62.976 63.100 0.365 0.000 0.802 90 P CB 0.747 32.525 31.700 0.129 0.000 1.035 91 R N 0.680 121.189 120.500 0.016 0.000 2.235 91 R HA -0.004 4.335 4.340 -0.002 0.000 0.213 91 R C 2.120 178.372 176.300 -0.081 0.000 1.059 91 R CA 1.198 57.235 56.100 -0.105 0.000 0.997 91 R CB -0.748 29.428 30.300 -0.208 0.000 0.884 91 R HN 0.519 nan 8.270 nan 0.000 0.462 92 A N 0.914 123.654 122.820 -0.133 0.000 2.131 92 A HA -0.166 4.153 4.320 -0.002 0.000 0.220 92 A C 1.812 179.414 177.584 0.031 0.000 1.158 92 A CA 1.260 53.193 52.037 -0.174 0.000 0.665 92 A CB -0.072 18.420 19.000 -0.846 0.000 0.795 92 A HN 0.143 nan 8.150 nan 0.000 0.460 93 K N -1.430 118.998 120.400 0.047 0.000 2.447 93 K HA 0.231 4.550 4.320 -0.002 0.000 0.205 93 K C 1.019 177.625 176.600 0.010 0.000 1.059 93 K CA -0.242 56.051 56.287 0.010 0.000 1.065 93 K CB 0.076 32.577 32.500 0.001 0.000 0.885 93 K HN 0.216 nan 8.250 nan 0.000 0.545 94 M N 1.252 120.860 119.600 0.014 0.000 2.080 94 M HA -0.191 4.288 4.480 -0.002 0.000 0.260 94 M C 1.815 178.113 176.300 -0.004 0.000 1.068 94 M CA 1.490 56.799 55.300 0.016 0.000 1.109 94 M CB -1.233 31.370 32.600 0.004 0.000 1.342 94 M HN 0.280 nan 8.290 nan 0.000 0.405 95 N N 0.145 118.846 118.700 0.001 0.000 2.120 95 N HA -0.201 4.537 4.740 -0.002 0.000 0.188 95 N C 1.761 177.234 175.510 -0.062 0.000 1.024 95 N CA 1.264 54.284 53.050 -0.051 0.000 0.852 95 N CB -0.055 38.394 38.487 -0.062 0.000 1.003 95 N HN 0.498 nan 8.380 nan 0.000 0.424 96 Q N 0.503 120.277 119.800 -0.043 0.000 2.119 96 Q HA -0.128 4.211 4.340 -0.002 0.000 0.201 96 Q C 1.954 177.933 176.000 -0.035 0.000 0.972 96 Q CA 1.110 56.884 55.803 -0.048 0.000 0.847 96 Q CB 0.088 28.781 28.738 -0.075 0.000 0.903 96 Q HN 0.509 nan 8.270 nan 0.000 0.433 97 Q N -0.160 119.626 119.800 -0.023 0.000 2.030 97 Q HA -0.194 4.145 4.340 -0.002 0.000 0.204 97 Q C 2.226 178.221 176.000 -0.008 0.000 0.986 97 Q CA 1.574 57.376 55.803 -0.001 0.000 0.843 97 Q CB -0.047 28.705 28.738 0.025 0.000 0.904 97 Q HN 0.307 nan 8.270 nan 0.000 0.420 98 R N 0.154 120.634 120.500 -0.032 0.000 2.070 98 R HA -0.135 4.204 4.340 -0.002 0.000 0.232 98 R C 2.391 178.690 176.300 -0.002 0.000 1.138 98 R CA 1.148 57.214 56.100 -0.057 0.000 0.936 98 R CB -0.663 29.562 30.300 -0.125 0.000 0.839 98 R HN 0.231 nan 8.270 nan 0.000 0.429 99 A N 1.696 124.513 122.820 -0.005 0.000 1.881 99 A HA -0.292 4.027 4.320 -0.002 0.000 0.219 99 A C 2.221 179.838 177.584 0.055 0.000 1.215 99 A CA 1.953 54.016 52.037 0.043 0.000 0.648 99 A CB -0.746 18.259 19.000 0.007 0.000 0.832 99 A HN 0.317 nan 8.150 nan 0.000 0.455 100 R N -0.981 119.526 120.500 0.011 0.000 2.097 100 R HA -0.231 4.108 4.340 -0.002 0.000 0.236 100 R C 2.438 178.741 176.300 0.005 0.000 1.135 100 R CA 2.090 58.185 56.100 -0.009 0.000 0.934 100 R CB -0.297 29.986 30.300 -0.028 0.000 0.846 100 R HN 0.434 nan 8.270 nan 0.000 0.431 101 R N -0.178 120.337 120.500 0.026 0.000 2.115 101 R HA -0.193 4.146 4.340 -0.002 0.000 0.239 101 R C 2.076 178.436 176.300 0.099 0.000 1.133 101 R CA 2.181 58.309 56.100 0.046 0.000 0.935 101 R CB -1.071 29.251 30.300 0.037 0.000 0.853 101 R HN 0.253 nan 8.270 nan 0.000 0.433 102 F N 1.086 120.998 119.950 -0.063 0.000 2.025 102 F HA -0.205 4.321 4.527 -0.002 0.000 0.297 102 F C 2.233 178.005 175.800 -0.048 0.000 1.132 102 F CA 1.853 59.819 58.000 -0.057 0.000 1.191 102 F CB -0.559 38.404 39.000 -0.062 0.000 0.963 102 F HN -0.070 nan 8.300 nan 0.000 0.481 103 R N -0.765 119.681 120.500 -0.090 0.000 2.341 103 R HA -0.095 4.244 4.340 -0.002 0.000 0.213 103 R C 1.066 177.273 176.300 -0.155 0.000 1.082 103 R CA 1.556 57.538 56.100 -0.196 0.000 1.017 103 R CB -0.296 29.942 30.300 -0.103 0.000 0.860 103 R HN 0.329 nan 8.270 nan 0.000 0.473 104 T N -1.596 112.895 114.554 -0.105 0.000 3.069 104 T HA 0.248 4.597 4.350 -0.002 0.000 0.252 104 T C 1.076 175.728 174.700 -0.080 0.000 1.053 104 T CA 0.327 62.371 62.100 -0.094 0.000 0.964 104 T CB 1.054 69.869 68.868 -0.088 0.000 1.005 104 T HN 0.249 nan 8.240 nan 0.000 0.532 105 A N 1.262 124.028 122.820 -0.090 0.000 1.920 105 A HA 0.363 4.682 4.320 -0.002 0.000 0.209 105 A C 2.101 179.616 177.584 -0.116 0.000 1.229 105 A CA 0.219 52.215 52.037 -0.068 0.000 0.671 105 A CB -0.434 18.565 19.000 -0.001 0.000 0.886 105 A HN 0.359 nan 8.150 nan 0.000 0.461 106 M N 0.193 119.656 119.600 -0.228 0.000 2.315 106 M HA -0.214 4.265 4.480 -0.002 0.000 0.264 106 M C 1.573 177.785 176.300 -0.146 0.000 1.075 106 M CA 2.512 57.673 55.300 -0.231 0.000 1.093 106 M CB -0.580 31.796 32.600 -0.372 0.000 1.251 106 M HN 0.377 nan 8.290 nan 0.000 0.449 107 D N 0.619 120.931 120.400 -0.147 0.000 2.154 107 D HA -0.218 4.420 4.640 -0.002 0.000 0.190 107 D C 1.848 178.104 176.300 -0.072 0.000 1.003 107 D CA 1.962 55.902 54.000 -0.100 0.000 0.849 107 D CB -0.648 40.094 40.800 -0.097 0.000 0.942 107 D HN 0.552 nan 8.370 nan 0.000 0.446 108 A N 0.837 123.615 122.820 -0.071 0.000 1.859 108 A HA -0.282 4.036 4.320 -0.002 0.000 0.217 108 A C 2.120 179.685 177.584 -0.032 0.000 1.198 108 A CA 2.265 54.277 52.037 -0.043 0.000 0.629 108 A CB -0.829 18.151 19.000 -0.034 0.000 0.830 108 A HN 0.350 nan 8.150 nan 0.000 0.446 109 E N -0.309 119.867 120.200 -0.040 0.000 1.984 109 E HA -0.275 4.074 4.350 -0.002 0.000 0.203 109 E C 2.066 178.646 176.600 -0.033 0.000 0.998 109 E CA 1.623 58.004 56.400 -0.032 0.000 0.865 109 E CB -0.282 29.397 29.700 -0.035 0.000 0.806 109 E HN 0.488 nan 8.360 nan 0.000 0.504 110 K N 0.270 120.644 120.400 -0.043 0.000 2.108 110 K HA -0.351 3.968 4.320 -0.002 0.000 0.219 110 K C 1.909 178.490 176.600 -0.031 0.000 1.054 110 K CA 2.255 58.518 56.287 -0.040 0.000 0.945 110 K CB -0.555 31.912 32.500 -0.055 0.000 0.728 110 K HN 0.258 nan 8.250 nan 0.000 0.462 111 A N 1.004 123.804 122.820 -0.033 0.000 1.825 111 A HA -0.052 4.267 4.320 -0.002 0.000 0.214 111 A C 1.915 179.491 177.584 -0.015 0.000 1.206 111 A CA 1.386 53.408 52.037 -0.025 0.000 0.609 111 A CB -0.576 18.408 19.000 -0.028 0.000 0.851 111 A HN 0.341 nan 8.150 nan 0.000 0.445 112 L N -0.267 120.949 121.223 -0.011 0.000 2.777 112 L HA 0.130 4.468 4.340 -0.002 0.000 0.244 112 L C 1.485 178.354 176.870 -0.002 0.000 1.235 112 L CA 0.570 55.408 54.840 -0.002 0.000 1.062 112 L CB -0.096 41.967 42.059 0.006 0.000 1.340 112 L HN 0.686 nan 8.230 nan 0.000 0.439 113 Q N -0.965 118.831 119.800 -0.007 0.000 2.243 113 Q HA 0.108 4.447 4.340 -0.002 0.000 0.167 113 Q C 1.657 177.653 176.000 -0.006 0.000 0.619 113 Q CA 0.259 56.057 55.803 -0.007 0.000 0.745 113 Q CB 0.175 28.906 28.738 -0.011 0.000 1.071 113 Q HN 0.013 nan 8.270 nan 0.000 0.502 114 K N 0.622 121.017 120.400 -0.009 0.000 2.217 114 K HA 0.256 4.574 4.320 -0.002 0.000 0.202 114 K C 0.343 176.939 176.600 -0.006 0.000 1.051 114 K CA 0.843 57.126 56.287 -0.007 0.000 0.952 114 K CB -0.043 32.451 32.500 -0.009 0.000 0.736 114 K HN 0.330 nan 8.250 nan 0.000 0.453 129 D N 2.383 122.451 120.400 -0.554 0.000 2.329 129 D HA 0.244 4.883 4.640 -0.002 0.000 0.232 129 D C 0.930 177.156 176.300 -0.124 0.000 1.088 129 D CA 0.550 54.403 54.000 -0.244 0.000 0.835 129 D CB 1.879 42.525 40.800 -0.257 0.000 1.078 129 D HN 0.505 nan 8.370 nan 0.000 0.495 130 S N 3.684 119.585 115.700 0.335 0.000 2.440 130 S HA -0.236 4.233 4.470 -0.002 0.000 0.240 130 S C 0.989 175.792 174.600 0.339 0.000 1.014 130 S CA 1.037 59.568 58.200 0.552 0.000 0.980 130 S CB -0.274 63.111 63.200 0.308 0.000 0.775 130 S HN 0.504 nan 8.310 nan 0.000 0.499 131 N N 1.878 120.659 118.700 0.135 0.000 2.461 131 N HA 0.345 5.084 4.740 -0.002 0.000 0.188 131 N C 1.453 177.014 175.510 0.085 0.000 1.134 131 N CA 0.741 53.857 53.050 0.110 0.000 0.878 131 N CB -0.512 38.006 38.487 0.050 0.000 0.972 131 N HN 0.576 nan 8.380 nan 0.000 0.456 132 A N 0.725 123.556 122.820 0.018 0.000 1.969 132 A HA 0.015 4.333 4.320 -0.002 0.000 0.218 132 A C 1.010 178.765 177.584 0.285 0.000 1.169 132 A CA 0.497 52.564 52.037 0.050 0.000 0.635 132 A CB -0.499 18.349 19.000 -0.254 0.000 0.810 132 A HN 0.279 nan 8.150 nan 0.000 0.445 133 I N 2.070 122.840 120.570 0.334 0.000 2.270 133 I HA 0.177 4.346 4.170 -0.002 0.000 0.300 133 I C -0.753 175.507 176.117 0.238 0.000 1.186 133 I CA 0.272 61.757 61.300 0.308 0.000 1.431 133 I CB -0.553 37.573 38.000 0.210 0.000 1.485 133 I HN 0.012 nan 8.210 nan 0.000 0.650 134 T N 4.266 118.920 114.554 0.166 0.000 3.579 134 T HA 0.204 4.553 4.350 -0.002 0.000 0.360 134 T C -2.771 171.976 174.700 0.079 0.000 1.285 134 T CA -1.054 61.128 62.100 0.137 0.000 1.127 134 T CB 1.756 70.698 68.868 0.125 0.000 1.244 134 T HN 0.010 nan 8.240 nan 0.000 0.476 135 P HA 0.225 nan 4.420 nan 0.000 0.264 135 P C 1.165 178.512 177.300 0.079 0.000 1.173 135 P CA 1.322 64.454 63.100 0.053 0.000 0.761 135 P CB 0.168 31.992 31.700 0.206 0.000 0.794 136 G N 1.016 109.850 108.800 0.057 0.000 2.213 136 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.236 136 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.236 136 G C 0.302 175.330 174.900 0.212 0.000 0.991 136 G CA 0.214 45.408 45.100 0.158 0.000 0.629 136 G HN 0.663 nan 8.290 nan 0.000 0.517 137 T N 0.747 115.375 114.554 0.122 0.000 2.813 137 T HA 0.397 4.746 4.350 -0.002 0.000 0.297 137 T C 1.405 176.191 174.700 0.143 0.000 1.036 137 T CA 0.588 62.768 62.100 0.133 0.000 1.044 137 T CB 1.180 70.128 68.868 0.134 0.000 0.993 137 T HN 0.348 nan 8.240 nan 0.000 0.535 138 E N -0.062 120.225 120.200 0.145 0.000 2.153 138 E HA -0.099 4.250 4.350 -0.002 0.000 0.194 138 E C 1.436 178.141 176.600 0.175 0.000 0.988 138 E CA 0.794 57.279 56.400 0.143 0.000 0.811 138 E CB -0.192 29.576 29.700 0.114 0.000 0.746 138 E HN 0.621 nan 8.360 nan 0.000 0.466 139 F N 0.828 120.818 119.950 0.065 0.000 2.187 139 F HA -0.070 4.456 4.527 -0.002 0.000 0.295 139 F C 2.006 177.886 175.800 0.133 0.000 1.091 139 F CA 0.958 59.026 58.000 0.113 0.000 1.308 139 F CB 0.059 39.141 39.000 0.137 0.000 1.030 139 F HN -0.076 nan 8.300 nan 0.000 0.487 140 M N 0.318 119.912 119.600 -0.009 0.000 2.279 140 M HA -0.109 4.370 4.480 -0.002 0.000 0.264 140 M C 2.351 178.659 176.300 0.014 0.000 1.062 140 M CA 1.375 56.552 55.300 -0.206 0.000 1.099 140 M CB -1.785 30.491 32.600 -0.540 0.000 1.394 140 M HN 0.338 nan 8.290 nan 0.000 0.426 141 A N -0.572 122.291 122.820 0.073 0.000 1.970 141 A HA -0.135 4.184 4.320 -0.002 0.000 0.216 141 A C 2.249 179.872 177.584 0.065 0.000 1.170 141 A CA 1.530 53.666 52.037 0.165 0.000 0.645 141 A CB -0.323 18.760 19.000 0.139 0.000 0.816 141 A HN 0.326 nan 8.150 nan 0.000 0.447 142 K N -0.037 120.334 120.400 -0.048 0.000 2.103 142 K HA 0.050 4.369 4.320 -0.002 0.000 0.204 142 K C 1.735 178.199 176.600 -0.226 0.000 1.052 142 K CA 1.040 57.249 56.287 -0.131 0.000 0.945 142 K CB -0.583 31.833 32.500 -0.139 0.000 0.722 142 K HN 0.385 nan 8.250 nan 0.000 0.443 143 L N 0.510 121.586 121.223 -0.245 0.000 1.963 143 L HA -0.287 4.052 4.340 -0.002 0.000 0.220 143 L C 1.742 178.661 176.870 0.081 0.000 1.076 143 L CA 2.461 57.280 54.840 -0.035 0.000 0.772 143 L CB -0.912 41.141 42.059 -0.009 0.000 0.892 143 L HN 0.247 nan 8.230 nan 0.000 0.435 144 T N -1.045 113.612 114.554 0.170 0.000 2.897 144 T HA -0.218 4.130 4.350 -0.002 0.000 0.271 144 T C 1.725 176.489 174.700 0.107 0.000 1.084 144 T CA 1.542 63.750 62.100 0.180 0.000 1.123 144 T CB -0.231 68.767 68.868 0.215 0.000 0.865 144 T HN 0.455 nan 8.240 nan 0.000 0.496 145 E N 0.360 120.599 120.200 0.065 0.000 2.216 145 E HA -0.068 4.281 4.350 -0.002 0.000 0.192 145 E C 1.884 178.525 176.600 0.069 0.000 0.988 145 E CA 0.387 56.827 56.400 0.068 0.000 0.834 145 E CB 0.153 29.860 29.700 0.012 0.000 0.772 145 E HN 0.301 nan 8.360 nan 0.000 0.479 146 N N 0.501 119.191 118.700 -0.017 0.000 2.182 146 N HA -0.044 4.694 4.740 -0.002 0.000 0.186 146 N C 1.935 177.612 175.510 0.279 0.000 1.036 146 N CA 0.616 53.670 53.050 0.006 0.000 0.850 146 N CB -0.331 37.897 38.487 -0.432 0.000 1.010 146 N HN 0.106 nan 8.380 nan 0.000 0.432 147 L N 1.227 122.595 121.223 0.242 0.000 2.127 147 L HA -0.149 4.189 4.340 -0.002 0.000 0.211 147 L C 2.093 178.888 176.870 -0.125 0.000 1.089 147 L CA 1.185 56.104 54.840 0.131 0.000 0.757 147 L CB -0.186 41.865 42.059 -0.013 0.000 0.899 147 L HN 0.171 nan 8.230 nan 0.000 0.434 148 K N -1.100 119.274 120.400 -0.044 0.000 2.211 148 K HA -0.216 4.103 4.320 -0.002 0.000 0.203 148 K C 2.019 178.616 176.600 -0.005 0.000 1.050 148 K CA 1.471 57.784 56.287 0.043 0.000 0.945 148 K CB -0.113 32.550 32.500 0.272 0.000 0.732 148 K HN 0.318 nan 8.250 nan 0.000 0.451 149 Y N 0.068 120.228 120.300 -0.234 0.000 2.231 149 Y HA -0.166 4.383 4.550 -0.002 0.000 0.294 149 Y C 1.953 177.567 175.900 -0.477 0.000 1.120 149 Y CA 0.734 58.511 58.100 -0.538 0.000 1.141 149 Y CB -0.495 37.797 38.460 -0.280 0.000 1.022 149 Y HN -0.030 nan 8.280 nan 0.000 0.523 150 F N 1.566 120.973 119.950 -0.905 0.000 2.039 150 F HA -0.369 4.157 4.527 -0.002 0.000 0.296 150 F C 2.011 177.194 175.800 -1.029 0.000 1.119 150 F CA 2.317 59.532 58.000 -1.308 0.000 1.211 150 F CB -1.033 36.874 39.000 -1.821 0.000 0.956 150 F HN 0.159 nan 8.300 nan 0.000 0.496 151 I N -0.799 119.127 120.570 -1.073 0.000 2.226 151 I HA -0.343 3.826 4.170 -0.002 0.000 0.245 151 I C 2.401 177.965 176.117 -0.921 0.000 1.100 151 I CA 1.789 62.384 61.300 -1.175 0.000 1.374 151 I CB -0.826 36.457 38.000 -1.194 0.000 1.057 151 I HN 0.199 nan 8.210 nan 0.000 0.413 152 H N 0.099 118.738 119.070 -0.719 0.000 2.352 152 H HA -0.221 4.334 4.556 -0.002 0.000 0.299 152 H C 1.986 176.890 175.328 -0.707 0.000 1.097 152 H CA 2.106 57.821 56.048 -0.556 0.000 1.311 152 H CB -0.175 29.336 29.762 -0.418 0.000 1.377 152 H HN 0.302 nan 8.280 nan 0.000 0.504 153 D N 0.298 120.270 120.400 -0.714 0.000 2.092 153 D HA -0.155 4.484 4.640 -0.002 0.000 0.193 153 D C 1.844 177.727 176.300 -0.696 0.000 0.994 153 D CA 1.232 54.824 54.000 -0.681 0.000 0.828 153 D CB 0.115 40.436 40.800 -0.798 0.000 0.963 153 D HN 0.044 nan 8.370 nan 0.000 0.450 154 K N 0.589 120.369 120.400 -1.033 0.000 1.969 154 K HA -0.112 4.207 4.320 -0.002 0.000 0.216 154 K C 2.335 178.527 176.600 -0.679 0.000 1.048 154 K CA 0.679 56.256 56.287 -1.184 0.000 0.948 154 K CB -1.113 29.958 32.500 -2.383 0.000 0.726 154 K HN 0.280 nan 8.250 nan 0.000 0.442 155 I N 1.548 121.809 120.570 -0.515 0.000 2.182 155 I HA -0.331 3.838 4.170 -0.002 0.000 0.248 155 I C 2.189 178.206 176.117 -0.166 0.000 1.073 155 I CA 1.710 62.880 61.300 -0.216 0.000 1.335 155 I CB -1.490 36.446 38.000 -0.106 0.000 1.031 155 I HN 0.236 nan 8.210 nan 0.000 0.420 156 T N 0.890 115.321 114.554 -0.205 0.000 2.701 156 T HA -0.142 4.207 4.350 -0.002 0.000 0.263 156 T C 1.672 176.299 174.700 -0.122 0.000 1.040 156 T CA 2.075 64.120 62.100 -0.090 0.000 1.147 156 T CB -0.238 68.492 68.868 -0.230 0.000 0.865 156 T HN 0.396 nan 8.240 nan 0.000 0.426 157 N N 0.349 118.914 118.700 -0.224 0.000 2.402 157 N HA 0.036 4.775 4.740 -0.002 0.000 0.174 157 N C 0.283 175.696 175.510 -0.162 0.000 1.027 157 N CA 0.245 53.188 53.050 -0.178 0.000 0.891 157 N CB 0.376 38.748 38.487 -0.193 0.000 1.016 157 N HN 0.209 nan 8.380 nan 0.000 0.439 158 D N 0.259 120.536 120.400 -0.206 0.000 2.317 158 D HA 0.059 4.698 4.640 -0.002 0.000 0.234 158 D C 0.653 176.930 176.300 -0.038 0.000 1.112 158 D CA -0.039 53.910 54.000 -0.084 0.000 0.840 158 D CB 1.103 41.830 40.800 -0.123 0.000 1.078 158 D HN 0.189 nan 8.370 nan 0.000 0.486 159 T N 2.783 117.331 114.554 -0.009 0.000 2.833 159 T HA -0.138 4.211 4.350 -0.002 0.000 0.269 159 T C 1.790 176.488 174.700 -0.002 0.000 1.054 159 T CA 0.744 62.807 62.100 -0.062 0.000 1.135 159 T CB 0.130 68.979 68.868 -0.032 0.000 0.869 159 T HN 0.369 nan 8.240 nan 0.000 0.466 160 R N -0.219 120.367 120.500 0.145 0.000 2.090 160 R HA 0.014 4.353 4.340 -0.002 0.000 0.228 160 R C 2.127 178.503 176.300 0.126 0.000 1.110 160 R CA 1.157 57.356 56.100 0.165 0.000 0.973 160 R CB -0.372 30.104 30.300 0.292 0.000 0.869 160 R HN 0.458 nan 8.270 nan 0.000 0.440 161 W N 2.111 123.302 121.300 -0.182 0.000 2.468 161 W HA -0.122 4.537 4.660 -0.002 0.000 0.262 161 W C 2.057 178.423 176.519 -0.256 0.000 1.241 161 W CA 1.009 58.121 57.345 -0.389 0.000 1.232 161 W CB -0.067 29.051 29.460 -0.570 0.000 1.124 161 W HN 0.261 nan 8.180 nan 0.000 0.597 162 Q N -1.046 118.711 119.800 -0.071 0.000 2.360 162 Q HA 0.093 4.432 4.340 -0.002 0.000 0.202 162 Q C 0.700 176.633 176.000 -0.112 0.000 0.915 162 Q CA 0.570 56.249 55.803 -0.206 0.000 0.943 162 Q CB -0.304 28.010 28.738 -0.707 0.000 1.064 162 Q HN 0.304 nan 8.270 nan 0.000 0.511 163 N N 1.021 119.689 118.700 -0.053 0.000 2.177 163 N HA 0.128 4.867 4.740 -0.002 0.000 0.218 163 N C -0.122 175.388 175.510 0.001 0.000 1.182 163 N CA 0.250 53.286 53.050 -0.023 0.000 0.882 163 N CB 1.796 40.261 38.487 -0.035 0.000 1.052 163 N HN 0.148 nan 8.380 nan 0.000 0.519 164 V N -1.631 118.292 119.914 0.015 0.000 3.019 164 V HA 0.458 4.577 4.120 -0.002 0.000 0.317 164 V C 0.272 176.408 176.094 0.071 0.000 1.094 164 V CA -1.195 61.127 62.300 0.036 0.000 1.000 164 V CB 1.965 33.817 31.823 0.048 0.000 1.060 164 V HN -0.189 nan 8.190 nan 0.000 0.443 165 K N 1.467 121.923 120.400 0.094 0.000 2.378 165 K HA 0.424 4.743 4.320 -0.002 0.000 0.288 165 K C -0.895 175.790 176.600 0.141 0.000 1.057 165 K CA -0.103 56.258 56.287 0.123 0.000 0.971 165 K CB 1.032 33.615 32.500 0.139 0.000 0.975 165 K HN 0.597 nan 8.250 nan 0.000 0.475 166 V N 6.244 126.250 119.914 0.153 0.000 2.407 166 V HA 0.403 4.521 4.120 -0.002 0.000 0.278 166 V C 0.081 176.287 176.094 0.187 0.000 1.037 166 V CA -0.600 61.791 62.300 0.150 0.000 0.900 166 V CB 1.008 32.919 31.823 0.146 0.000 0.983 166 V HN 0.603 nan 8.190 nan 0.000 0.459 167 I N 5.237 125.823 120.570 0.026 0.000 2.534 167 I HA 0.383 4.552 4.170 -0.002 0.000 0.286 167 I C -1.088 174.923 176.117 -0.177 0.000 1.094 167 I CA -0.198 61.083 61.300 -0.031 0.000 1.055 167 I CB 1.994 39.901 38.000 -0.155 0.000 1.225 167 I HN 0.534 nan 8.210 nan 0.000 0.435 168 F N 5.503 125.412 119.950 -0.069 0.000 2.415 168 F HA 0.487 5.013 4.527 -0.002 0.000 0.348 168 F C 0.318 176.027 175.800 -0.152 0.000 1.119 168 F CA -0.249 57.695 58.000 -0.092 0.000 1.069 168 F CB 1.428 40.546 39.000 0.197 0.000 1.124 168 F HN 0.347 nan 8.300 nan 0.000 0.472 169 S N 5.112 120.334 115.700 -0.797 0.000 2.532 169 S HA 0.527 4.996 4.470 -0.002 0.000 0.318 169 S C 0.277 174.303 174.600 -0.957 0.000 1.083 169 S CA -0.434 57.392 58.200 -0.622 0.000 1.131 169 S CB -0.076 62.947 63.200 -0.295 0.000 0.973 169 S HN 0.987 nan 8.310 nan 0.000 0.468 170 G N 2.433 110.676 108.800 -0.929 0.000 2.611 170 G HA2 0.189 4.148 3.960 -0.002 0.000 0.273 170 G HA3 0.189 4.148 3.960 -0.002 0.000 0.273 170 G C 0.631 175.374 174.900 -0.262 0.000 1.305 170 G CA -0.070 44.638 45.100 -0.654 0.000 1.010 170 G HN 1.011 nan 8.290 nan 0.000 0.509 171 H N -1.959 117.133 119.070 0.037 0.000 2.521 171 H HA 0.041 4.596 4.556 -0.002 0.000 0.286 171 H C 1.810 177.197 175.328 0.099 0.000 1.034 171 H CA 1.376 57.477 56.048 0.089 0.000 1.278 171 H CB -0.071 29.771 29.762 0.134 0.000 1.386 171 H HN 0.487 nan 8.280 nan 0.000 0.567 172 E N 0.729 120.768 120.200 -0.269 0.000 2.273 172 E HA -0.047 4.301 4.350 -0.002 0.000 0.198 172 E C -0.050 176.581 176.600 0.053 0.000 1.002 172 E CA 0.989 57.364 56.400 -0.040 0.000 0.828 172 E CB 0.078 29.713 29.700 -0.109 0.000 0.747 172 E HN 0.360 nan 8.360 nan 0.000 0.491 173 V N 2.816 122.726 119.914 -0.007 0.000 2.311 173 V HA 0.188 4.306 4.120 -0.002 0.000 0.275 173 V C -2.327 173.758 176.094 -0.016 0.000 1.022 173 V CA -2.162 60.117 62.300 -0.035 0.000 0.830 173 V CB 1.183 32.984 31.823 -0.037 0.000 1.012 173 V HN -0.029 nan 8.190 nan 0.000 0.452 174 P HA 0.238 nan 4.420 nan 0.000 0.257 174 P C 0.290 177.789 177.300 0.332 0.000 1.189 174 P CA 0.977 64.026 63.100 -0.085 0.000 0.780 174 P CB 0.361 31.700 31.700 -0.602 0.000 0.772 175 G N 2.176 111.203 108.800 0.378 0.000 2.318 175 G HA2 0.013 3.971 3.960 -0.002 0.000 0.302 175 G HA3 0.013 3.971 3.960 -0.002 0.000 0.302 175 G C -1.105 173.972 174.900 0.295 0.000 1.633 175 G CA -0.875 44.449 45.100 0.372 0.000 0.965 175 G HN 0.369 nan 8.290 nan 0.000 0.698 176 E N -0.272 120.110 120.200 0.303 0.000 2.438 176 E HA 0.322 4.671 4.350 -0.002 0.000 0.261 176 E C 1.684 178.441 176.600 0.262 0.000 1.103 176 E CA 0.557 57.134 56.400 0.295 0.000 0.959 176 E CB 0.822 30.738 29.700 0.358 0.000 0.958 176 E HN 0.669 nan 8.360 nan 0.000 0.447 177 G N 1.199 110.131 108.800 0.221 0.000 2.484 177 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.215 177 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.215 177 G C 1.207 176.208 174.900 0.170 0.000 1.219 177 G CA 0.714 45.928 45.100 0.189 0.000 0.791 177 G HN 0.547 nan 8.290 nan 0.000 0.550 178 Q N -0.655 119.250 119.800 0.176 0.000 2.103 178 Q HA -0.337 4.002 4.340 -0.002 0.000 0.213 178 Q C 2.286 178.343 176.000 0.096 0.000 1.008 178 Q CA 2.273 58.160 55.803 0.142 0.000 0.879 178 Q CB -0.308 28.551 28.738 0.202 0.000 0.946 178 Q HN 0.776 nan 8.270 nan 0.000 0.413 179 H N 0.074 119.179 119.070 0.058 0.000 2.389 179 H HA -0.013 4.542 4.556 -0.002 0.000 0.299 179 H C 1.709 176.976 175.328 -0.101 0.000 1.081 179 H CA 1.570 57.565 56.048 -0.089 0.000 1.345 179 H CB 0.255 29.956 29.762 -0.102 0.000 1.393 179 H HN 0.045 nan 8.280 nan 0.000 0.520 180 K N -0.247 120.138 120.400 -0.025 0.000 2.097 180 K HA -0.045 4.274 4.320 -0.002 0.000 0.205 180 K C 2.141 178.652 176.600 -0.147 0.000 1.050 180 K CA 1.260 57.524 56.287 -0.039 0.000 0.938 180 K CB 0.044 32.636 32.500 0.154 0.000 0.718 180 K HN 0.289 nan 8.250 nan 0.000 0.442 181 I N 1.013 121.468 120.570 -0.191 0.000 2.127 181 I HA -0.327 3.842 4.170 -0.002 0.000 0.241 181 I C 2.292 178.154 176.117 -0.424 0.000 1.075 181 I CA 1.193 62.232 61.300 -0.435 0.000 1.334 181 I CB -0.172 37.649 38.000 -0.299 0.000 1.040 181 I HN 0.181 nan 8.210 nan 0.000 0.405 182 M N -0.543 118.854 119.600 -0.338 0.000 2.149 182 M HA -0.241 4.238 4.480 -0.002 0.000 0.261 182 M C 1.861 177.942 176.300 -0.365 0.000 1.064 182 M CA 1.695 56.786 55.300 -0.348 0.000 1.102 182 M CB -1.339 31.058 32.600 -0.339 0.000 1.369 182 M HN 0.209 nan 8.290 nan 0.000 0.408 183 D N -0.439 119.717 120.400 -0.406 0.000 2.144 183 D HA -0.175 4.463 4.640 -0.002 0.000 0.199 183 D C 1.873 178.066 176.300 -0.179 0.000 0.984 183 D CA 1.093 54.899 54.000 -0.323 0.000 0.834 183 D CB -0.115 40.496 40.800 -0.315 0.000 0.955 183 D HN 0.411 nan 8.370 nan 0.000 0.465 184 Y N 0.248 120.361 120.300 -0.310 0.000 2.243 184 Y HA -0.015 4.534 4.550 -0.002 0.000 0.293 184 Y C 2.016 177.772 175.900 -0.241 0.000 1.124 184 Y CA 1.088 59.028 58.100 -0.266 0.000 1.159 184 Y CB -0.105 38.076 38.460 -0.465 0.000 1.008 184 Y HN -0.070 nan 8.280 nan 0.000 0.527 185 I N 0.223 120.702 120.570 -0.150 0.000 2.163 185 I HA -0.358 3.811 4.170 -0.002 0.000 0.243 185 I C 2.523 178.506 176.117 -0.224 0.000 1.085 185 I CA 1.651 62.865 61.300 -0.144 0.000 1.347 185 I CB -0.403 37.474 38.000 -0.205 0.000 1.044 185 I HN 0.129 nan 8.210 nan 0.000 0.408 186 R N 0.399 120.752 120.500 -0.245 0.000 2.096 186 R HA -0.158 4.181 4.340 -0.002 0.000 0.235 186 R C 2.424 178.619 176.300 -0.175 0.000 1.127 186 R CA 1.459 57.429 56.100 -0.216 0.000 0.968 186 R CB -0.490 29.692 30.300 -0.196 0.000 0.861 186 R HN 0.412 nan 8.270 nan 0.000 0.440 187 A N 1.768 124.465 122.820 -0.204 0.000 1.877 187 A HA -0.169 4.149 4.320 -0.002 0.000 0.216 187 A C 2.200 179.597 177.584 -0.312 0.000 1.186 187 A CA 1.702 53.596 52.037 -0.238 0.000 0.620 187 A CB -0.635 18.213 19.000 -0.254 0.000 0.822 187 A HN 0.465 nan 8.150 nan 0.000 0.443 188 I N -1.777 118.558 120.570 -0.392 0.000 2.439 188 I HA -0.190 3.979 4.170 -0.002 0.000 0.251 188 I C 2.193 178.012 176.117 -0.496 0.000 1.139 188 I CA 1.479 62.589 61.300 -0.317 0.000 1.438 188 I CB -0.455 37.431 38.000 -0.189 0.000 1.085 188 I HN 0.297 nan 8.210 nan 0.000 0.427 189 R N 2.256 122.287 120.500 -0.782 0.000 2.189 189 R HA 0.124 4.462 4.340 -0.002 0.000 0.218 189 R C 2.235 178.170 176.300 -0.608 0.000 1.074 189 R CA 1.115 56.439 56.100 -1.294 0.000 0.991 189 R CB -0.729 29.006 30.300 -0.943 0.000 0.883 189 R HN 0.443 nan 8.270 nan 0.000 0.457 190 A N 1.650 124.241 122.820 -0.381 0.000 1.969 190 A HA -0.064 4.255 4.320 -0.002 0.000 0.218 190 A C 0.874 178.346 177.584 -0.187 0.000 1.169 190 A CA 0.652 52.534 52.037 -0.258 0.000 0.635 190 A CB -0.093 18.733 19.000 -0.289 0.000 0.810 190 A HN 0.197 nan 8.150 nan 0.000 0.445 191 Q N 0.209 119.912 119.800 -0.162 0.000 2.432 191 Q HA 0.065 4.404 4.340 -0.002 0.000 0.264 191 Q C 0.677 176.680 176.000 0.004 0.000 1.035 191 Q CA -0.031 55.732 55.803 -0.066 0.000 0.908 191 Q CB 0.337 29.062 28.738 -0.023 0.000 1.280 191 Q HN 0.435 nan 8.270 nan 0.000 0.455 192 E N 1.266 121.469 120.200 0.005 0.000 2.107 192 E HA -0.134 4.215 4.350 -0.002 0.000 0.191 192 E C 0.830 177.462 176.600 0.052 0.000 0.982 192 E CA 1.044 57.459 56.400 0.024 0.000 0.809 192 E CB 0.132 29.833 29.700 0.003 0.000 0.756 192 E HN 0.642 nan 8.360 nan 0.000 0.459 193 D N -0.650 119.781 120.400 0.051 0.000 2.319 193 D HA -0.138 4.501 4.640 -0.002 0.000 0.230 193 D C 0.376 176.722 176.300 0.077 0.000 1.094 193 D CA -0.420 53.607 54.000 0.044 0.000 0.856 193 D CB -0.935 39.877 40.800 0.021 0.000 0.915 193 D HN 0.019 nan 8.370 nan 0.000 0.517 194 Y N 2.676 122.963 120.300 -0.022 0.000 2.620 194 Y HA 0.020 4.569 4.550 -0.002 0.000 0.330 194 Y C 0.489 176.384 175.900 -0.008 0.000 1.186 194 Y CA -0.680 57.413 58.100 -0.012 0.000 1.467 194 Y CB 0.167 38.621 38.460 -0.009 0.000 1.262 194 Y HN -0.005 nan 8.280 nan 0.000 0.550 195 N N 8.287 126.641 118.700 -0.577 0.000 2.420 195 N HA 0.080 4.818 4.740 -0.002 0.000 0.262 195 N C -2.018 173.067 175.510 -0.708 0.000 1.144 195 N CA -1.408 51.336 53.050 -0.510 0.000 0.952 195 N CB 1.176 39.439 38.487 -0.373 0.000 1.081 195 N HN 0.436 nan 8.380 nan 0.000 0.480 196 P HA -0.059 nan 4.420 nan 0.000 0.225 196 P C -0.441 176.787 177.300 -0.119 0.000 1.148 196 P CA 1.105 64.123 63.100 -0.137 0.000 0.779 196 P CB 0.193 31.871 31.700 -0.036 0.000 0.780 197 N N -0.803 117.758 118.700 -0.233 0.000 2.660 197 N HA 0.094 4.833 4.740 -0.002 0.000 0.316 197 N C -0.530 174.745 175.510 -0.391 0.000 1.774 197 N CA 0.090 52.965 53.050 -0.291 0.000 0.946 197 N CB 0.378 38.654 38.487 -0.352 0.000 1.322 197 N HN -0.079 nan 8.380 nan 0.000 0.492 198 T N 1.130 115.520 114.554 -0.274 0.000 2.761 198 T HA 0.242 4.591 4.350 -0.002 0.000 0.296 198 T C 0.788 175.331 174.700 -0.260 0.000 0.934 198 T CA -0.241 61.678 62.100 -0.301 0.000 1.091 198 T CB 0.965 69.654 68.868 -0.299 0.000 0.896 198 T HN 0.034 nan 8.240 nan 0.000 0.515 199 R N 3.119 123.445 120.500 -0.290 0.000 2.370 199 R HA 0.265 4.603 4.340 -0.002 0.000 0.309 199 R C -0.456 175.784 176.300 -0.100 0.000 1.059 199 R CA -0.157 55.861 56.100 -0.137 0.000 0.981 199 R CB 0.174 30.409 30.300 -0.109 0.000 0.972 199 R HN 0.653 nan 8.270 nan 0.000 0.437 200 H N 0.476 119.564 119.070 0.030 0.000 2.495 200 H HA 0.403 4.958 4.556 -0.002 0.000 0.348 200 H C -0.943 174.155 175.328 -0.382 0.000 1.113 200 H CA -0.572 55.315 56.048 -0.270 0.000 1.195 200 H CB 1.778 31.051 29.762 -0.815 0.000 1.521 200 H HN 0.544 nan 8.280 nan 0.000 0.509 201 C N 5.579 124.701 119.300 -0.297 0.000 2.446 201 C HA 0.594 5.053 4.460 -0.002 0.000 0.329 201 C C -0.921 174.003 174.990 -0.109 0.000 1.166 201 C CA -0.581 58.232 59.018 -0.342 0.000 1.341 201 C CB -0.924 26.320 27.740 -0.825 0.000 1.970 201 C HN 0.833 nan 8.230 nan 0.000 0.452 202 I N 6.043 126.677 120.570 0.107 0.000 2.339 202 I HA 0.275 4.443 4.170 -0.002 0.000 0.290 202 I C -0.627 175.626 176.117 0.227 0.000 0.994 202 I CA -0.529 60.940 61.300 0.281 0.000 1.191 202 I CB 1.177 39.404 38.000 0.377 0.000 1.343 202 I HN 0.710 nan 8.210 nan 0.000 0.458 203 Y N 6.478 126.871 120.300 0.156 0.000 2.316 203 Y HA 0.686 5.235 4.550 -0.002 0.000 0.331 203 Y C 0.159 176.175 175.900 0.193 0.000 1.083 203 Y CA -0.363 57.838 58.100 0.168 0.000 1.206 203 Y CB 1.124 39.694 38.460 0.182 0.000 1.195 203 Y HN 0.585 nan 8.280 nan 0.000 0.497 204 G N 5.514 113.823 108.800 -0.819 0.000 2.556 204 G HA2 0.175 4.134 3.960 -0.002 0.000 0.294 204 G HA3 0.175 4.134 3.960 -0.002 0.000 0.294 204 G C -0.748 173.861 174.900 -0.484 0.000 1.516 204 G CA -0.816 43.803 45.100 -0.801 0.000 0.824 204 G HN 0.630 nan 8.290 nan 0.000 0.535 205 L N 0.300 121.334 121.223 -0.316 0.000 2.017 205 L HA 0.016 4.355 4.340 -0.002 0.000 0.208 205 L C 1.301 178.114 176.870 -0.095 0.000 1.073 205 L CA 1.554 56.316 54.840 -0.129 0.000 0.745 205 L CB -0.629 41.406 42.059 -0.040 0.000 0.894 205 L HN 0.647 nan 8.230 nan 0.000 0.432 206 D N 0.140 120.506 120.400 -0.056 0.000 2.472 206 D HA 0.039 4.678 4.640 -0.002 0.000 0.248 206 D C 1.186 177.499 176.300 0.022 0.000 1.174 206 D CA 0.700 54.700 54.000 -0.002 0.000 0.883 206 D CB 1.442 42.257 40.800 0.025 0.000 1.149 206 D HN 0.181 nan 8.370 nan 0.000 0.488 207 A N 4.883 127.739 122.820 0.061 0.000 1.903 207 A HA -0.267 4.052 4.320 -0.002 0.000 0.219 207 A C 1.820 179.494 177.584 0.150 0.000 1.191 207 A CA 1.808 53.943 52.037 0.164 0.000 0.638 207 A CB -0.437 18.747 19.000 0.307 0.000 0.823 207 A HN 0.715 nan 8.150 nan 0.000 0.451 208 D N -0.162 120.288 120.400 0.083 0.000 2.244 208 D HA -0.209 4.430 4.640 -0.002 0.000 0.197 208 D C 1.757 178.059 176.300 0.004 0.000 1.006 208 D CA 1.335 55.356 54.000 0.036 0.000 0.888 208 D CB -0.371 40.474 40.800 0.075 0.000 0.912 208 D HN 0.533 nan 8.370 nan 0.000 0.452 209 L N 0.224 121.468 121.223 0.035 0.000 2.131 209 L HA -0.170 4.168 4.340 -0.002 0.000 0.210 209 L C 2.491 179.383 176.870 0.038 0.000 1.092 209 L CA 0.477 55.334 54.840 0.029 0.000 0.759 209 L CB -0.265 41.830 42.059 0.059 0.000 0.903 209 L HN 0.060 nan 8.230 nan 0.000 0.435 210 I N 0.121 120.755 120.570 0.108 0.000 2.069 210 I HA -0.382 3.787 4.170 -0.002 0.000 0.237 210 I C 2.414 178.554 176.117 0.038 0.000 1.053 210 I CA 1.826 63.215 61.300 0.149 0.000 1.311 210 I CB -0.342 37.859 38.000 0.335 0.000 1.030 210 I HN 0.143 nan 8.210 nan 0.000 0.398 211 I N 0.408 120.976 120.570 -0.002 0.000 2.151 211 I HA -0.342 3.827 4.170 -0.002 0.000 0.243 211 I C 2.535 178.514 176.117 -0.230 0.000 1.080 211 I CA 1.581 62.769 61.300 -0.187 0.000 1.339 211 I CB -0.633 37.089 38.000 -0.463 0.000 1.039 211 I HN 0.274 nan 8.210 nan 0.000 0.409 212 L N 0.781 121.883 121.223 -0.201 0.000 2.012 212 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 212 L C 2.815 179.465 176.870 -0.368 0.000 1.073 212 L CA 1.843 56.525 54.840 -0.264 0.000 0.748 212 L CB -1.419 40.503 42.059 -0.228 0.000 0.891 212 L HN 0.364 nan 8.230 nan 0.000 0.431 213 G N 0.344 108.919 108.800 -0.375 0.000 2.476 213 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.218 213 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.218 213 G C 1.633 176.109 174.900 -0.706 0.000 1.164 213 G CA 0.755 45.386 45.100 -0.783 0.000 0.768 213 G HN 0.247 nan 8.290 nan 0.000 0.560 214 L N 1.492 122.488 121.223 -0.379 0.000 2.079 214 L HA -0.140 4.199 4.340 -0.002 0.000 0.210 214 L C 3.157 179.773 176.870 -0.423 0.000 1.081 214 L CA 1.616 56.269 54.840 -0.311 0.000 0.752 214 L CB -0.405 41.568 42.059 -0.145 0.000 0.896 214 L HN 0.445 nan 8.230 nan 0.000 0.433 215 S N -1.892 113.567 115.700 -0.401 0.000 2.561 215 S HA -0.096 4.373 4.470 -0.002 0.000 0.225 215 S C 1.829 176.259 174.600 -0.284 0.000 0.977 215 S CA 0.820 58.786 58.200 -0.390 0.000 0.926 215 S CB -0.641 62.213 63.200 -0.578 0.000 0.769 215 S HN 0.580 nan 8.310 nan 0.000 0.533 216 T N -1.721 112.621 114.554 -0.354 0.000 3.067 216 T HA 0.024 4.373 4.350 -0.002 0.000 0.261 216 T C 0.661 175.357 174.700 -0.007 0.000 1.110 216 T CA 0.665 62.625 62.100 -0.233 0.000 1.113 216 T CB -0.949 67.722 68.868 -0.330 0.000 0.917 216 T HN 0.623 nan 8.240 nan 0.000 0.499 217 H N 0.861 119.851 119.070 -0.133 0.000 2.820 217 H HA -0.106 4.449 4.556 -0.002 0.000 0.295 217 H C -1.136 174.229 175.328 0.061 0.000 1.187 217 H CA 0.846 56.885 56.048 -0.015 0.000 1.144 217 H CB -1.732 28.034 29.762 0.005 0.000 1.354 217 H HN 0.483 nan 8.280 nan 0.000 0.395 218 D N -0.011 120.466 120.400 0.129 0.000 2.373 218 D HA 0.077 4.715 4.640 -0.002 0.000 0.227 218 D C 1.310 177.803 176.300 0.322 0.000 1.091 218 D CA -0.252 53.919 54.000 0.285 0.000 0.840 218 D CB 0.510 41.531 40.800 0.369 0.000 1.060 218 D HN 0.427 nan 8.370 nan 0.000 0.502 219 H N 3.102 122.281 119.070 0.183 0.000 2.387 219 H HA -0.085 4.470 4.556 -0.002 0.000 0.299 219 H C -0.056 175.247 175.328 -0.041 0.000 1.090 219 H CA 0.977 57.038 56.048 0.021 0.000 1.332 219 H CB 0.495 30.177 29.762 -0.134 0.000 1.386 219 H HN 0.486 nan 8.280 nan 0.000 0.516 220 H N -0.771 118.266 119.070 -0.054 0.000 2.882 220 H HA 0.077 4.632 4.556 -0.002 0.000 0.258 220 H C -1.181 174.199 175.328 0.087 0.000 1.579 220 H CA -0.170 55.652 56.048 -0.376 0.000 1.340 220 H CB -0.656 28.499 29.762 -1.012 0.000 1.645 220 H HN 0.111 nan 8.280 nan 0.000 0.541 221 F N 2.119 122.188 119.950 0.199 0.000 2.539 221 F HA 0.288 4.814 4.527 -0.002 0.000 0.328 221 F C -0.598 175.380 175.800 0.296 0.000 1.148 221 F CA -0.681 57.498 58.000 0.297 0.000 0.940 221 F CB 0.990 40.085 39.000 0.159 0.000 1.194 221 F HN 0.384 nan 8.300 nan 0.000 0.438 222 C N 5.396 124.900 119.300 0.341 0.000 2.529 222 C HA 0.709 5.168 4.460 -0.002 0.000 0.329 222 C C -0.436 174.671 174.990 0.196 0.000 1.194 222 C CA -1.107 58.045 59.018 0.225 0.000 1.779 222 C CB 1.499 29.295 27.740 0.092 0.000 2.322 222 C HN 0.650 nan 8.230 nan 0.000 0.500 223 L N 2.600 123.939 121.223 0.193 0.000 2.287 223 L HA 0.460 4.799 4.340 -0.002 0.000 0.287 223 L C -0.373 176.584 176.870 0.145 0.000 1.022 223 L CA -0.361 54.591 54.840 0.186 0.000 0.814 223 L CB 1.060 43.244 42.059 0.207 0.000 1.217 223 L HN 0.461 nan 8.230 nan 0.000 0.420 224 L N 5.220 126.530 121.223 0.145 0.000 2.315 224 L HA 0.425 4.764 4.340 -0.002 0.000 0.283 224 L C -0.250 176.840 176.870 0.366 0.000 1.089 224 L CA 0.448 55.432 54.840 0.240 0.000 0.833 224 L CB 0.048 42.239 42.059 0.220 0.000 1.170 224 L HN 0.536 nan 8.230 nan 0.000 0.442 225 R N 3.816 124.558 120.500 0.404 0.000 2.807 225 R HA 0.527 4.866 4.340 -0.002 0.000 0.276 225 R C -0.836 175.726 176.300 0.437 0.000 0.979 225 R CA -0.914 55.382 56.100 0.326 0.000 0.928 225 R CB 1.662 32.029 30.300 0.111 0.000 1.191 225 R HN 0.552 nan 8.270 nan 0.000 0.471 226 E N 1.566 121.911 120.200 0.242 0.000 2.345 226 E HA 0.035 4.384 4.350 -0.002 0.000 0.259 226 E C -0.444 176.216 176.600 0.100 0.000 1.117 226 E CA -0.508 55.876 56.400 -0.028 0.000 0.913 226 E CB 0.843 30.484 29.700 -0.099 0.000 1.057 226 E HN 0.483 nan 8.360 nan 0.000 0.432 227 E N 0.842 121.138 120.200 0.159 0.000 2.442 227 E HA 0.092 4.441 4.350 -0.002 0.000 0.262 227 E C -0.960 175.668 176.600 0.047 0.000 1.004 227 E CA -0.074 56.487 56.400 0.267 0.000 0.928 227 E CB 0.668 30.564 29.700 0.327 0.000 0.937 227 E HN 0.225 nan 8.360 nan 0.000 0.446 228 V N 2.554 122.467 119.914 -0.002 0.000 2.876 228 V HA 0.202 4.321 4.120 -0.002 0.000 0.312 228 V C 0.530 176.625 176.094 0.001 0.000 1.085 228 V CA -1.066 61.215 62.300 -0.031 0.000 0.945 228 V CB 1.459 33.212 31.823 -0.117 0.000 1.017 228 V HN 0.851 nan 8.190 nan 0.000 0.428 240 L N 1.217 122.349 121.223 -0.152 0.000 2.054 240 L HA -0.132 4.207 4.340 -0.002 0.000 0.220 240 L C 2.375 179.068 176.870 -0.294 0.000 1.081 240 L CA 2.193 56.832 54.840 -0.334 0.000 0.780 240 L CB -0.859 40.904 42.059 -0.493 0.000 0.893 240 L HN 0.892 nan 8.230 nan 0.000 0.438 241 E N -1.636 118.468 120.200 -0.160 0.000 2.409 241 E HA -0.102 4.246 4.350 -0.002 0.000 0.198 241 E C 1.812 178.426 176.600 0.024 0.000 1.024 241 E CA 1.188 57.567 56.400 -0.034 0.000 0.861 241 E CB -0.296 29.409 29.700 0.008 0.000 0.788 241 E HN 0.721 nan 8.360 nan 0.000 0.521 242 T N -3.932 110.626 114.554 0.007 0.000 2.975 242 T HA 0.149 4.498 4.350 -0.002 0.000 0.257 242 T C 0.766 175.474 174.700 0.014 0.000 1.003 242 T CA -0.459 61.655 62.100 0.023 0.000 0.932 242 T CB 0.130 69.011 68.868 0.022 0.000 1.087 242 T HN -0.118 nan 8.240 nan 0.000 0.512 243 Q N 2.297 122.093 119.800 -0.006 0.000 2.315 243 Q HA 0.215 4.554 4.340 -0.002 0.000 0.289 243 Q C -0.577 175.388 176.000 -0.059 0.000 1.044 243 Q CA -0.083 55.674 55.803 -0.077 0.000 0.920 243 Q CB 0.348 28.975 28.738 -0.185 0.000 1.214 243 Q HN 0.295 nan 8.270 nan 0.000 0.392 244 N N 2.057 120.680 118.700 -0.127 0.000 2.514 244 N HA 0.322 5.061 4.740 -0.002 0.000 0.277 244 N C -1.206 174.149 175.510 -0.259 0.000 1.126 244 N CA 0.208 53.174 53.050 -0.140 0.000 0.978 244 N CB 0.524 38.917 38.487 -0.156 0.000 1.106 244 N HN 0.296 nan 8.380 nan 0.000 0.461 245 F N 1.002 120.839 119.950 -0.187 0.000 2.579 245 F HA 0.586 5.112 4.527 -0.002 0.000 0.324 245 F C -0.277 175.337 175.800 -0.309 0.000 1.058 245 F CA -0.735 57.239 58.000 -0.045 0.000 0.944 245 F CB 1.193 40.228 39.000 0.058 0.000 1.245 245 F HN 0.221 nan 8.300 nan 0.000 0.477 246 F N 1.221 121.356 119.950 0.309 0.000 2.577 246 F HA 0.575 5.101 4.527 -0.002 0.000 0.318 246 F C -0.725 175.195 175.800 0.200 0.000 1.065 246 F CA -0.947 57.183 58.000 0.217 0.000 0.929 246 F CB 1.569 40.688 39.000 0.199 0.000 1.237 246 F HN 0.045 nan 8.300 nan 0.000 0.468 247 L N 3.455 124.896 121.223 0.363 0.000 2.257 247 L HA 0.411 4.750 4.340 -0.002 0.000 0.290 247 L C -0.559 176.488 176.870 0.296 0.000 1.044 247 L CA -0.569 54.408 54.840 0.228 0.000 0.810 247 L CB 1.296 43.438 42.059 0.139 0.000 1.193 247 L HN 0.497 nan 8.230 nan 0.000 0.425 248 L N 4.245 125.611 121.223 0.240 0.000 2.305 248 L HA 0.260 4.599 4.340 -0.002 0.000 0.281 248 L C -0.179 176.801 176.870 0.183 0.000 1.085 248 L CA -0.244 54.763 54.840 0.277 0.000 0.813 248 L CB 0.299 42.525 42.059 0.279 0.000 1.157 248 L HN 0.517 nan 8.230 nan 0.000 0.436 249 H N 7.128 126.364 119.070 0.277 0.000 2.661 249 H HA 0.166 4.720 4.556 -0.002 0.000 0.290 249 H C 0.798 176.228 175.328 0.169 0.000 1.082 249 H CA -0.291 55.906 56.048 0.248 0.000 1.234 249 H CB 1.486 31.375 29.762 0.213 0.000 1.387 249 H HN 0.733 nan 8.280 nan 0.000 0.476 250 L N 2.034 123.401 121.223 0.241 0.000 2.191 250 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 250 L C 2.588 179.482 176.870 0.040 0.000 1.103 250 L CA 1.232 56.158 54.840 0.144 0.000 0.769 250 L CB -0.217 41.925 42.059 0.139 0.000 0.908 250 L HN 0.514 nan 8.230 nan 0.000 0.438 251 S N 0.052 115.716 115.700 -0.060 0.000 2.368 251 S HA -0.234 4.234 4.470 -0.002 0.000 0.225 251 S C 1.963 176.494 174.600 -0.114 0.000 1.030 251 S CA 1.237 59.190 58.200 -0.412 0.000 0.999 251 S CB -0.480 62.300 63.200 -0.700 0.000 0.844 251 S HN 0.455 nan 8.310 nan 0.000 0.459 252 I N 0.197 120.736 120.570 -0.052 0.000 2.480 252 I HA 0.033 4.202 4.170 -0.002 0.000 0.251 252 I C 2.266 178.384 176.117 0.003 0.000 1.124 252 I CA 0.611 61.856 61.300 -0.091 0.000 1.444 252 I CB -0.155 37.722 38.000 -0.203 0.000 1.098 252 I HN 0.336 nan 8.210 nan 0.000 0.428 253 L N 1.477 122.742 121.223 0.069 0.000 2.042 253 L HA -0.222 4.117 4.340 -0.002 0.000 0.210 253 L C 2.483 179.305 176.870 -0.080 0.000 1.076 253 L CA 1.873 56.723 54.840 0.017 0.000 0.749 253 L CB -0.772 41.322 42.059 0.059 0.000 0.893 253 L HN 0.115 nan 8.230 nan 0.000 0.432 254 R N -0.501 119.996 120.500 -0.005 0.000 2.139 254 R HA -0.172 4.166 4.340 -0.002 0.000 0.243 254 R C 2.138 178.346 176.300 -0.155 0.000 1.145 254 R CA 1.810 57.932 56.100 0.037 0.000 0.976 254 R CB -0.239 30.143 30.300 0.137 0.000 0.866 254 R HN 0.591 nan 8.270 nan 0.000 0.449 255 E N -0.934 119.153 120.200 -0.187 0.000 2.060 255 E HA -0.131 4.218 4.350 -0.002 0.000 0.189 255 E C 1.614 177.996 176.600 -0.364 0.000 0.974 255 E CA 0.761 56.978 56.400 -0.304 0.000 0.808 255 E CB -0.078 29.456 29.700 -0.277 0.000 0.768 255 E HN 0.303 nan 8.360 nan 0.000 0.453 256 Y N 1.363 121.434 120.300 -0.382 0.000 2.151 256 Y HA -0.248 4.301 4.550 -0.002 0.000 0.284 256 Y C 2.214 177.675 175.900 -0.732 0.000 1.166 256 Y CA 1.240 58.998 58.100 -0.569 0.000 1.163 256 Y CB -0.336 37.637 38.460 -0.811 0.000 0.974 256 Y HN 0.031 nan 8.280 nan 0.000 0.511 257 L N -1.361 119.544 121.223 -0.530 0.000 2.093 257 L HA -0.223 4.115 4.340 -0.002 0.000 0.208 257 L C 2.597 179.471 176.870 0.006 0.000 1.085 257 L CA 1.042 55.674 54.840 -0.347 0.000 0.755 257 L CB -0.758 41.287 42.059 -0.024 0.000 0.904 257 L HN 0.220 nan 8.230 nan 0.000 0.435 258 A N -0.191 122.456 122.820 -0.289 0.000 2.015 258 A HA -0.124 4.195 4.320 -0.002 0.000 0.219 258 A C 2.199 179.729 177.584 -0.090 0.000 1.163 258 A CA 1.184 53.000 52.037 -0.369 0.000 0.646 258 A CB -0.483 17.971 19.000 -0.910 0.000 0.806 258 A HN 0.380 nan 8.150 nan 0.000 0.448 259 L N -1.193 119.936 121.223 -0.156 0.000 2.179 259 L HA -0.105 4.234 4.340 -0.002 0.000 0.208 259 L C 2.481 179.307 176.870 -0.073 0.000 1.096 259 L CA 1.270 56.055 54.840 -0.092 0.000 0.779 259 L CB -0.365 41.637 42.059 -0.096 0.000 0.922 259 L HN 0.385 nan 8.230 nan 0.000 0.443 260 E N 0.348 120.448 120.200 -0.167 0.000 2.171 260 E HA -0.223 4.126 4.350 -0.002 0.000 0.197 260 E C 1.567 177.894 176.600 -0.456 0.000 0.997 260 E CA 1.855 58.044 56.400 -0.352 0.000 0.810 260 E CB 0.022 29.310 29.700 -0.686 0.000 0.738 260 E HN 0.428 nan 8.360 nan 0.000 0.467 261 F N -0.401 119.612 119.950 0.105 0.000 2.680 261 F HA 0.188 4.713 4.527 -0.002 0.000 0.290 261 F C 1.804 177.639 175.800 0.059 0.000 1.114 261 F CA 0.464 58.550 58.000 0.145 0.000 1.333 261 F CB -0.340 38.842 39.000 0.303 0.000 1.091 261 F HN 0.071 nan 8.300 nan 0.000 0.606 262 E N 1.569 121.865 120.200 0.161 0.000 2.253 262 E HA -0.346 4.002 4.350 -0.002 0.000 0.202 262 E C 1.689 178.226 176.600 -0.105 0.000 1.014 262 E CA 1.796 58.160 56.400 -0.060 0.000 0.823 262 E CB -0.976 28.697 29.700 -0.045 0.000 0.736 262 E HN 0.693 nan 8.360 nan 0.000 0.478 263 E N 1.552 121.735 120.200 -0.029 0.000 2.273 263 E HA -0.217 4.131 4.350 -0.002 0.000 0.198 263 E C 1.643 178.208 176.600 -0.058 0.000 1.002 263 E CA 1.127 57.506 56.400 -0.035 0.000 0.828 263 E CB -0.264 29.433 29.700 -0.005 0.000 0.747 263 E HN 0.519 nan 8.360 nan 0.000 0.491 264 I N 0.469 120.996 120.570 -0.071 0.000 4.809 264 I HA -0.157 4.012 4.170 -0.002 0.000 0.209 264 I C 1.680 177.646 176.117 -0.251 0.000 0.969 264 I CA 1.020 62.250 61.300 -0.117 0.000 1.498 264 I CB -0.674 37.301 38.000 -0.042 0.000 1.359 264 I HN 0.128 nan 8.210 nan 0.000 0.433 265 T N -0.240 114.036 114.554 -0.463 0.000 12.320 265 T HA -0.327 4.022 4.350 -0.002 0.000 0.419 265 T C 1.042 175.615 174.700 -0.213 0.000 1.443 265 T CA 1.985 63.768 62.100 -0.529 0.000 2.389 265 T CB -1.528 66.996 68.868 -0.573 0.000 2.854 265 T HN 0.417 nan 8.240 nan 0.000 0.830 266 D N 0.667 120.967 120.400 -0.167 0.000 2.162 266 D HA 0.143 4.781 4.640 -0.002 0.000 0.203 266 D C 2.328 178.560 176.300 -0.113 0.000 0.967 266 D CA 1.278 55.211 54.000 -0.111 0.000 0.840 266 D CB -0.407 40.343 40.800 -0.084 0.000 0.972 266 D HN 0.497 nan 8.370 nan 0.000 0.482 267 S N 0.336 115.964 115.700 -0.120 0.000 2.345 267 S HA -0.048 4.420 4.470 -0.002 0.000 0.220 267 S C 1.105 175.594 174.600 -0.185 0.000 1.031 267 S CA 0.377 58.511 58.200 -0.109 0.000 0.996 267 S CB -0.136 63.015 63.200 -0.081 0.000 0.882 267 S HN 0.225 nan 8.310 nan 0.000 0.445 268 V N 1.686 121.434 119.914 -0.277 0.000 2.720 268 V HA 0.025 4.144 4.120 -0.002 0.000 0.307 268 V C 0.396 176.079 176.094 -0.686 0.000 1.071 268 V CA 0.169 62.097 62.300 -0.620 0.000 1.199 268 V CB 0.067 31.405 31.823 -0.809 0.000 0.900 268 V HN 0.366 nan 8.190 nan 0.000 0.494 269 Q N 3.101 122.410 119.800 -0.819 0.000 2.228 269 Q HA 0.364 4.703 4.340 -0.002 0.000 0.211 269 Q C -0.479 175.330 176.000 -0.317 0.000 0.890 269 Q CA 0.045 55.605 55.803 -0.405 0.000 0.953 269 Q CB 0.121 28.762 28.738 -0.162 0.000 1.053 269 Q HN 0.915 nan 8.270 nan 0.000 0.471 270 F N -1.823 118.094 119.950 -0.055 0.000 2.922 270 F HA 0.460 4.986 4.527 -0.002 0.000 0.345 270 F C -0.499 175.305 175.800 0.007 0.000 1.209 270 F CA -2.121 55.839 58.000 -0.065 0.000 1.018 270 F CB 0.173 39.055 39.000 -0.196 0.000 1.472 270 F HN -0.211 nan 8.300 nan 0.000 0.521 271 E N 0.217 120.632 120.200 0.357 0.000 2.265 271 E HA 0.119 4.468 4.350 -0.002 0.000 0.272 271 E C -1.292 175.601 176.600 0.489 0.000 1.067 271 E CA -0.221 56.367 56.400 0.313 0.000 0.900 271 E CB 0.041 29.873 29.700 0.220 0.000 1.017 271 E HN 0.570 nan 8.360 nan 0.000 0.431 272 Y N 3.279 123.747 120.300 0.280 0.000 2.650 272 Y HA 0.140 4.689 4.550 -0.002 0.000 0.331 272 Y C -0.486 175.576 175.900 0.271 0.000 1.165 272 Y CA 0.553 58.843 58.100 0.316 0.000 1.473 272 Y CB 0.642 39.203 38.460 0.168 0.000 1.224 272 Y HN 0.654 nan 8.280 nan 0.000 0.533 273 D N 6.330 126.571 120.400 -0.265 0.000 2.478 273 D HA -0.025 4.614 4.640 -0.002 0.000 0.240 273 D C 0.111 176.176 176.300 -0.391 0.000 1.364 273 D CA -0.498 53.378 54.000 -0.207 0.000 0.987 273 D CB 0.272 41.016 40.800 -0.094 0.000 1.328 273 D HN 0.502 nan 8.370 nan 0.000 0.584 274 F N 4.116 123.862 119.950 -0.341 0.000 2.120 274 F HA -0.181 4.345 4.527 -0.002 0.000 0.300 274 F C 1.754 177.460 175.800 -0.157 0.000 1.095 274 F CA 1.634 59.486 58.000 -0.245 0.000 1.249 274 F CB 0.362 39.354 39.000 -0.014 0.000 0.995 274 F HN 0.336 nan 8.300 nan 0.000 0.480 275 E N 0.632 120.696 120.200 -0.228 0.000 2.085 275 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 275 E C 2.302 178.736 176.600 -0.276 0.000 0.994 275 E CA 1.144 57.464 56.400 -0.134 0.000 0.801 275 E CB -0.445 29.274 29.700 0.031 0.000 0.743 275 E HN 0.470 nan 8.360 nan 0.000 0.453 276 R N 0.531 120.732 120.500 -0.498 0.000 2.066 276 R HA -0.031 4.308 4.340 -0.002 0.000 0.232 276 R C 2.605 178.480 176.300 -0.708 0.000 1.131 276 R CA 0.809 56.435 56.100 -0.790 0.000 0.955 276 R CB -1.255 28.150 30.300 -1.492 0.000 0.851 276 R HN 0.116 nan 8.270 nan 0.000 0.432 277 V N 2.192 121.730 119.914 -0.627 0.000 2.282 277 V HA -0.251 3.868 4.120 -0.002 0.000 0.249 277 V C 2.502 178.347 176.094 -0.415 0.000 1.057 277 V CA 1.753 63.796 62.300 -0.427 0.000 1.032 277 V CB -0.764 30.739 31.823 -0.533 0.000 0.645 277 V HN 0.138 nan 8.190 nan 0.000 0.447 278 L N 0.539 121.384 121.223 -0.630 0.000 1.989 278 L HA -0.198 4.140 4.340 -0.002 0.000 0.211 278 L C 2.156 178.959 176.870 -0.111 0.000 1.071 278 L CA 2.210 56.803 54.840 -0.413 0.000 0.749 278 L CB -1.008 40.690 42.059 -0.602 0.000 0.890 278 L HN 0.269 nan 8.230 nan 0.000 0.431 279 D N -0.251 120.098 120.400 -0.084 0.000 2.133 279 D HA -0.211 4.428 4.640 -0.002 0.000 0.195 279 D C 1.792 178.080 176.300 -0.021 0.000 0.997 279 D CA 1.663 55.692 54.000 0.048 0.000 0.840 279 D CB -0.139 40.655 40.800 -0.011 0.000 0.947 279 D HN 0.475 nan 8.370 nan 0.000 0.452 280 D N -0.954 119.403 120.400 -0.071 0.000 2.144 280 D HA -0.103 4.536 4.640 -0.002 0.000 0.200 280 D C 1.664 177.811 176.300 -0.255 0.000 0.978 280 D CA 0.305 54.276 54.000 -0.048 0.000 0.833 280 D CB -0.352 40.552 40.800 0.174 0.000 0.961 280 D HN 0.179 nan 8.370 nan 0.000 0.470 281 F N 0.678 120.411 119.950 -0.362 0.000 2.293 281 F HA -0.051 4.475 4.527 -0.002 0.000 0.300 281 F C 1.752 177.346 175.800 -0.343 0.000 1.086 281 F CA 0.757 58.476 58.000 -0.469 0.000 1.375 281 F CB -0.084 38.899 39.000 -0.029 0.000 1.045 281 F HN -0.124 nan 8.300 nan 0.000 0.516 282 I N -0.641 119.798 120.570 -0.218 0.000 2.252 282 I HA -0.256 3.913 4.170 -0.002 0.000 0.245 282 I C 2.253 178.155 176.117 -0.357 0.000 1.102 282 I CA 1.262 62.367 61.300 -0.324 0.000 1.385 282 I CB -0.706 37.265 38.000 -0.049 0.000 1.064 282 I HN 0.224 nan 8.210 nan 0.000 0.414 283 F N 0.688 120.461 119.950 -0.296 0.000 2.171 283 F HA -0.172 4.354 4.527 -0.002 0.000 0.300 283 F C 2.286 177.864 175.800 -0.370 0.000 1.090 283 F CA 1.396 59.247 58.000 -0.248 0.000 1.293 283 F CB -0.602 38.217 39.000 -0.301 0.000 1.013 283 F HN -0.175 nan 8.300 nan 0.000 0.486 284 V N 1.028 120.334 119.914 -1.013 0.000 2.332 284 V HA -0.324 3.795 4.120 -0.002 0.000 0.248 284 V C 2.569 178.240 176.094 -0.705 0.000 1.055 284 V CA 2.154 63.755 62.300 -1.164 0.000 1.038 284 V CB -0.760 30.240 31.823 -1.371 0.000 0.651 284 V HN 0.427 nan 8.190 nan 0.000 0.450 285 L N -1.492 119.277 121.223 -0.757 0.000 2.027 285 L HA -0.141 4.197 4.340 -0.002 0.000 0.206 285 L C 2.376 179.001 176.870 -0.408 0.000 1.074 285 L CA 1.820 56.286 54.840 -0.624 0.000 0.745 285 L CB -0.534 41.017 42.059 -0.847 0.000 0.898 285 L HN 0.249 nan 8.230 nan 0.000 0.433 286 F N -0.420 119.364 119.950 -0.278 0.000 2.216 286 F HA -0.228 4.298 4.527 -0.002 0.000 0.300 286 F C 2.579 178.281 175.800 -0.163 0.000 1.085 286 F CA 1.100 59.015 58.000 -0.142 0.000 1.326 286 F CB -0.539 38.454 39.000 -0.011 0.000 1.027 286 F HN 0.060 nan 8.300 nan 0.000 0.497 287 T N 0.756 115.225 114.554 -0.141 0.000 2.788 287 T HA -0.159 4.190 4.350 -0.002 0.000 0.268 287 T C 1.879 176.598 174.700 0.031 0.000 1.044 287 T CA 1.219 63.261 62.100 -0.097 0.000 1.139 287 T CB -0.352 68.412 68.868 -0.173 0.000 0.867 287 T HN 0.248 nan 8.240 nan 0.000 0.454 288 I N 0.381 120.948 120.570 -0.004 0.000 2.830 288 I HA 0.162 4.331 4.170 -0.002 0.000 0.263 288 I C 1.304 177.436 176.117 0.026 0.000 1.230 288 I CA 0.201 61.502 61.300 0.000 0.000 1.480 288 I CB -0.239 37.730 38.000 -0.050 0.000 1.095 288 I HN 0.231 nan 8.210 nan 0.000 0.455 289 G N 1.195 110.029 108.800 0.057 0.000 2.655 289 G HA2 0.466 4.425 3.960 -0.002 0.000 0.296 289 G HA3 0.466 4.425 3.960 -0.002 0.000 0.296 289 G C -1.569 173.443 174.900 0.186 0.000 1.485 289 G CA -0.666 44.493 45.100 0.097 0.000 0.869 289 G HN 0.310 nan 8.290 nan 0.000 0.540 290 N N -0.753 118.044 118.700 0.162 0.000 3.339 290 N HA 0.264 5.003 4.740 -0.002 0.000 0.275 290 N C -1.170 174.383 175.510 0.073 0.000 1.514 290 N CA -0.917 52.254 53.050 0.201 0.000 0.879 290 N CB 1.277 39.914 38.487 0.251 0.000 1.557 290 N HN 0.304 nan 8.380 nan 0.000 0.524 291 D N -0.625 119.746 120.400 -0.049 0.000 2.395 291 D HA 0.196 4.835 4.640 -0.002 0.000 0.213 291 D C 0.119 176.103 176.300 -0.527 0.000 1.110 291 D CA 0.343 54.146 54.000 -0.328 0.000 0.835 291 D CB 0.291 40.801 40.800 -0.483 0.000 0.965 291 D HN 0.322 nan 8.370 nan 0.000 0.505 292 F N 0.418 120.365 119.950 -0.005 0.000 2.653 292 F HA 0.258 4.784 4.527 -0.002 0.000 0.288 292 F C 1.003 176.798 175.800 -0.008 0.000 1.121 292 F CA 0.100 58.080 58.000 -0.034 0.000 1.384 292 F CB 0.697 39.652 39.000 -0.074 0.000 1.115 292 F HN -0.258 nan 8.300 nan 0.000 0.599 293 L N 0.565 121.840 121.223 0.085 0.000 2.333 293 L HA 0.509 4.848 4.340 -0.002 0.000 0.269 293 L C -2.482 174.430 176.870 0.070 0.000 1.010 293 L CA -2.291 52.536 54.840 -0.021 0.000 0.818 293 L CB 1.384 43.291 42.059 -0.253 0.000 1.306 293 L HN -0.329 nan 8.230 nan 0.000 0.430 294 P HA 0.089 nan 4.420 nan 0.000 0.269 294 P C -0.868 176.557 177.300 0.208 0.000 1.215 294 P CA -0.306 62.880 63.100 0.145 0.000 0.780 294 P CB 0.371 32.174 31.700 0.172 0.000 0.898 295 N N 0.624 119.414 118.700 0.149 0.000 2.354 295 N HA 0.154 4.893 4.740 -0.002 0.000 0.246 295 N C 0.602 176.202 175.510 0.149 0.000 1.285 295 N CA -0.262 52.883 53.050 0.158 0.000 0.925 295 N CB 0.005 38.551 38.487 0.099 0.000 1.174 295 N HN 0.299 nan 8.380 nan 0.000 0.478 296 L N 1.093 122.397 121.223 0.136 0.000 2.475 296 L HA 0.137 4.476 4.340 -0.002 0.000 0.212 296 L C -0.894 176.021 176.870 0.074 0.000 1.204 296 L CA -0.988 53.894 54.840 0.069 0.000 0.843 296 L CB -0.310 41.801 42.059 0.087 0.000 1.360 296 L HN 0.487 nan 8.230 nan 0.000 0.527 297 P HA -0.004 nan 4.420 nan 0.000 0.194 297 P C -0.381 176.995 177.300 0.127 0.000 1.105 297 P CA 0.631 63.761 63.100 0.050 0.000 0.797 297 P CB 0.258 31.938 31.700 -0.034 0.000 0.687 298 D N 0.238 120.759 120.400 0.201 0.000 3.179 298 D HA 0.247 4.885 4.640 -0.002 0.000 0.267 298 D C -0.121 176.465 176.300 0.477 0.000 1.348 298 D CA -0.056 54.119 54.000 0.291 0.000 0.897 298 D CB -0.353 40.692 40.800 0.409 0.000 1.062 298 D HN 0.158 nan 8.370 nan 0.000 0.494 299 L N 1.403 122.828 121.223 0.335 0.000 2.565 299 L HA 0.053 4.392 4.340 -0.002 0.000 0.275 299 L C 0.693 177.704 176.870 0.235 0.000 1.137 299 L CA -0.052 54.999 54.840 0.353 0.000 0.915 299 L CB -0.209 41.905 42.059 0.091 0.000 1.232 299 L HN 0.009 nan 8.230 nan 0.000 0.473 300 H N 3.804 122.964 119.070 0.150 0.000 3.001 300 H HA 0.128 4.683 4.556 -0.002 0.000 0.248 300 H C 1.215 176.456 175.328 -0.146 0.000 1.663 300 H CA -0.060 56.031 56.048 0.072 0.000 1.258 300 H CB -0.065 29.929 29.762 0.386 0.000 1.547 300 H HN 0.590 nan 8.280 nan 0.000 0.557 301 L N -0.178 120.958 121.223 -0.144 0.000 1.997 301 L HA -0.275 4.064 4.340 -0.002 0.000 0.216 301 L C 2.155 178.986 176.870 -0.066 0.000 1.074 301 L CA 1.464 56.146 54.840 -0.263 0.000 0.763 301 L CB -0.231 41.638 42.059 -0.317 0.000 0.890 301 L HN 0.407 nan 8.230 nan 0.000 0.434 302 K N -0.044 120.347 120.400 -0.014 0.000 2.280 302 K HA -0.181 4.138 4.320 -0.002 0.000 0.202 302 K C 1.727 178.370 176.600 0.072 0.000 1.047 302 K CA 0.939 57.245 56.287 0.031 0.000 0.942 302 K CB -0.124 32.387 32.500 0.018 0.000 0.739 302 K HN 0.036 nan 8.250 nan 0.000 0.457 303 K N -0.350 120.123 120.400 0.121 0.000 2.372 303 K HA 0.074 4.392 4.320 -0.002 0.000 0.200 303 K C 0.445 177.175 176.600 0.216 0.000 1.022 303 K CA 0.350 56.778 56.287 0.236 0.000 1.125 303 K CB 0.528 33.282 32.500 0.422 0.000 0.855 303 K HN 0.285 nan 8.250 nan 0.000 0.524 304 G N -1.000 107.798 108.800 -0.002 0.000 2.159 304 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.170 304 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.170 304 G C 0.933 175.599 174.900 -0.390 0.000 1.007 304 G CA 0.183 45.259 45.100 -0.041 0.000 0.672 304 G HN 0.293 nan 8.290 nan 0.000 0.507 305 A N -0.284 122.055 122.820 -0.802 0.000 2.084 305 A HA 0.231 4.550 4.320 -0.002 0.000 0.221 305 A C 1.882 179.222 177.584 -0.407 0.000 1.161 305 A CA 2.071 53.610 52.037 -0.830 0.000 0.653 305 A CB -0.471 18.208 19.000 -0.534 0.000 0.802 305 A HN 0.688 nan 8.150 nan 0.000 0.457 306 F N 0.537 120.248 119.950 -0.398 0.000 2.046 306 F HA -0.080 4.446 4.527 -0.002 0.000 0.297 306 F C -0.234 175.347 175.800 -0.365 0.000 1.123 306 F CA 1.905 59.560 58.000 -0.576 0.000 1.199 306 F CB -1.381 36.835 39.000 -1.305 0.000 0.972 306 F HN 0.185 nan 8.300 nan 0.000 0.474 307 P HA -0.120 nan 4.420 nan 0.000 0.219 307 P C 1.934 179.326 177.300 0.153 0.000 1.146 307 P CA 1.281 64.496 63.100 0.192 0.000 0.808 307 P CB -0.102 31.728 31.700 0.216 0.000 0.779 308 V N -0.218 119.753 119.914 0.095 0.000 2.256 308 V HA -0.194 3.925 4.120 -0.002 0.000 0.240 308 V C 2.605 178.726 176.094 0.044 0.000 1.036 308 V CA 1.426 63.789 62.300 0.104 0.000 1.008 308 V CB -1.351 30.582 31.823 0.183 0.000 0.648 308 V HN -0.011 nan 8.190 nan 0.000 0.453 309 L N -0.287 120.871 121.223 -0.107 0.000 2.010 309 L HA -0.280 4.059 4.340 -0.002 0.000 0.219 309 L C 2.549 179.556 176.870 0.229 0.000 1.077 309 L CA 1.879 56.688 54.840 -0.051 0.000 0.773 309 L CB -0.927 41.035 42.059 -0.162 0.000 0.892 309 L HN 0.370 nan 8.230 nan 0.000 0.436 310 L N -0.173 121.221 121.223 0.286 0.000 2.043 310 L HA -0.267 4.072 4.340 -0.002 0.000 0.212 310 L C 2.503 179.607 176.870 0.389 0.000 1.075 310 L CA 1.868 56.982 54.840 0.456 0.000 0.752 310 L CB -0.527 41.837 42.059 0.509 0.000 0.891 310 L HN 0.225 nan 8.230 nan 0.000 0.432 311 Q N -1.157 118.799 119.800 0.259 0.000 2.369 311 Q HA -0.099 4.240 4.340 -0.002 0.000 0.206 311 Q C 1.994 178.083 176.000 0.148 0.000 0.963 311 Q CA 1.725 57.641 55.803 0.187 0.000 0.894 311 Q CB -0.302 28.530 28.738 0.156 0.000 0.965 311 Q HN 0.563 nan 8.270 nan 0.000 0.475 312 T N -0.079 114.601 114.554 0.210 0.000 2.701 312 T HA -0.116 4.233 4.350 -0.002 0.000 0.263 312 T C 1.142 175.945 174.700 0.172 0.000 1.040 312 T CA 1.296 63.515 62.100 0.198 0.000 1.147 312 T CB -0.447 68.653 68.868 0.387 0.000 0.865 312 T HN 0.426 nan 8.240 nan 0.000 0.426 313 F N 2.105 122.153 119.950 0.164 0.000 2.216 313 F HA 0.015 4.541 4.527 -0.002 0.000 0.300 313 F C 1.982 177.780 175.800 -0.003 0.000 1.085 313 F CA 1.162 59.133 58.000 -0.049 0.000 1.326 313 F CB -0.302 38.630 39.000 -0.114 0.000 1.027 313 F HN 0.002 nan 8.300 nan 0.000 0.497 314 K N -0.278 120.046 120.400 -0.125 0.000 2.442 314 K HA -0.143 4.176 4.320 -0.002 0.000 0.198 314 K C 1.662 178.108 176.600 -0.256 0.000 1.042 314 K CA 1.003 57.172 56.287 -0.197 0.000 0.958 314 K CB 0.022 32.547 32.500 0.042 0.000 0.766 314 K HN 0.255 nan 8.250 nan 0.000 0.474 315 E N 0.412 120.416 120.200 -0.327 0.000 2.057 315 E HA 0.051 4.400 4.350 -0.002 0.000 0.191 315 E C 1.772 178.054 176.600 -0.529 0.000 0.959 315 E CA 0.956 57.076 56.400 -0.466 0.000 0.828 315 E CB -0.281 29.009 29.700 -0.684 0.000 0.800 315 E HN 0.177 nan 8.360 nan 0.000 0.460 316 A N 0.657 123.201 122.820 -0.460 0.000 2.054 316 A HA -0.222 4.096 4.320 -0.002 0.000 0.223 316 A C 2.085 179.658 177.584 -0.018 0.000 1.169 316 A CA 1.506 53.564 52.037 0.035 0.000 0.655 316 A CB -0.647 18.580 19.000 0.380 0.000 0.812 316 A HN 0.276 nan 8.150 nan 0.000 0.462 317 L N -0.952 120.151 121.223 -0.200 0.000 2.313 317 L HA -0.035 4.303 4.340 -0.002 0.000 0.214 317 L C 2.268 179.099 176.870 -0.066 0.000 1.119 317 L CA 1.648 56.416 54.840 -0.120 0.000 0.809 317 L CB -0.321 41.505 42.059 -0.389 0.000 0.933 317 L HN 0.480 nan 8.230 nan 0.000 0.449 318 Q N -1.513 118.135 119.800 -0.253 0.000 2.425 318 Q HA 0.025 4.364 4.340 -0.002 0.000 0.204 318 Q C -0.067 175.901 176.000 -0.053 0.000 0.933 318 Q CA 0.411 56.067 55.803 -0.244 0.000 0.939 318 Q CB 0.304 28.878 28.738 -0.273 0.000 1.044 318 Q HN 0.525 nan 8.270 nan 0.000 0.513 319 H N -0.670 118.456 119.070 0.092 0.000 2.500 319 H HA 0.427 4.982 4.556 -0.002 0.000 0.243 319 H C -0.590 174.832 175.328 0.156 0.000 1.318 319 H CA -0.016 56.105 56.048 0.122 0.000 1.077 319 H CB -0.213 29.657 29.762 0.179 0.000 1.748 319 H HN 0.111 nan 8.280 nan 0.000 0.556 320 M N 0.942 120.697 119.600 0.259 0.000 2.550 320 M HA 0.141 4.620 4.480 -0.002 0.000 0.292 320 M C 0.031 176.510 176.300 0.298 0.000 1.221 320 M CA -0.693 54.767 55.300 0.268 0.000 0.873 320 M CB 2.812 35.575 32.600 0.271 0.000 1.727 320 M HN 0.090 nan 8.290 nan 0.000 0.459 321 D N 0.078 120.599 120.400 0.201 0.000 2.325 321 D HA 0.264 4.903 4.640 -0.002 0.000 0.225 321 D C 0.470 176.854 176.300 0.139 0.000 1.096 321 D CA 0.309 54.424 54.000 0.191 0.000 0.844 321 D CB 0.526 41.385 40.800 0.099 0.000 0.925 321 D HN 0.737 nan 8.370 nan 0.000 0.513 322 G N -0.850 107.898 108.800 -0.086 0.000 2.485 322 G HA2 0.317 4.276 3.960 -0.002 0.000 0.182 322 G HA3 0.317 4.276 3.960 -0.002 0.000 0.182 322 G C -1.946 172.244 174.900 -1.183 0.000 1.172 322 G CA -0.923 43.744 45.100 -0.722 0.000 0.996 322 G HN 0.109 nan 8.290 nan 0.000 0.496 323 Y N 0.147 120.137 120.300 -0.516 0.000 2.425 323 Y HA 0.495 5.044 4.550 -0.002 0.000 0.344 323 Y C 1.552 177.295 175.900 -0.262 0.000 0.969 323 Y CA -0.855 56.994 58.100 -0.419 0.000 1.052 323 Y CB 2.265 40.471 38.460 -0.424 0.000 1.215 323 Y HN 0.349 nan 8.280 nan 0.000 0.451 324 I N 1.116 121.668 120.570 -0.029 0.000 2.361 324 I HA -0.238 3.930 4.170 -0.002 0.000 0.251 324 I C 0.579 176.484 176.117 -0.352 0.000 1.133 324 I CA 1.420 62.620 61.300 -0.166 0.000 1.413 324 I CB -0.057 37.844 38.000 -0.165 0.000 1.073 324 I HN 0.589 nan 8.210 nan 0.000 0.424 325 N N 1.491 120.004 118.700 -0.312 0.000 2.479 325 N HA 0.071 4.810 4.740 -0.002 0.000 0.261 325 N C -0.402 174.890 175.510 -0.364 0.000 0.979 325 N CA -0.231 52.568 53.050 -0.418 0.000 0.930 325 N CB 0.924 39.150 38.487 -0.434 0.000 1.172 325 N HN 0.083 nan 8.380 nan 0.000 0.499 326 E N 4.023 124.010 120.200 -0.355 0.000 2.079 326 E HA 0.045 4.394 4.350 -0.002 0.000 0.252 326 E C -0.697 175.643 176.600 -0.435 0.000 0.992 326 E CA -0.083 56.114 56.400 -0.338 0.000 0.829 326 E CB 0.136 29.688 29.700 -0.247 0.000 1.158 326 E HN 0.676 nan 8.360 nan 0.000 0.435 327 Q N 1.639 121.119 119.800 -0.534 0.000 2.468 327 Q HA -0.309 4.030 4.340 -0.002 0.000 0.289 327 Q C 0.614 176.305 176.000 -0.514 0.000 1.299 327 Q CA 0.630 56.022 55.803 -0.685 0.000 0.838 327 Q CB -1.625 26.313 28.738 -1.333 0.000 1.195 327 Q HN 1.013 nan 8.270 nan 0.000 0.456 328 G N -0.192 108.183 108.800 -0.709 0.000 2.784 328 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.204 328 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.204 328 G C -0.017 174.606 174.900 -0.462 0.000 1.300 328 G CA -0.169 44.614 45.100 -0.528 0.000 0.863 328 G HN 0.213 nan 8.290 nan 0.000 0.541 329 K N 2.457 122.691 120.400 -0.277 0.000 2.402 329 K HA 0.226 4.544 4.320 -0.002 0.000 0.279 329 K C 0.554 176.917 176.600 -0.396 0.000 1.082 329 K CA -0.059 56.039 56.287 -0.314 0.000 1.080 329 K CB -0.476 31.994 32.500 -0.050 0.000 0.899 329 K HN 0.453 nan 8.250 nan 0.000 0.469 330 I N 3.963 124.247 120.570 -0.476 0.000 2.556 330 I HA -0.095 4.074 4.170 -0.002 0.000 0.284 330 I C 1.074 177.014 176.117 -0.294 0.000 1.114 330 I CA -0.057 60.937 61.300 -0.509 0.000 1.418 330 I CB 0.261 37.931 38.000 -0.551 0.000 1.394 330 I HN 0.477 nan 8.210 nan 0.000 0.552 331 N N 7.127 125.670 118.700 -0.261 0.000 2.602 331 N HA 0.123 4.862 4.740 -0.002 0.000 0.238 331 N C 0.635 176.163 175.510 0.030 0.000 1.084 331 N CA -0.460 52.528 53.050 -0.102 0.000 0.952 331 N CB 0.768 39.199 38.487 -0.093 0.000 1.244 331 N HN 0.450 nan 8.380 nan 0.000 0.512 332 L N 3.019 124.305 121.223 0.104 0.000 2.089 332 L HA -0.165 4.174 4.340 -0.002 0.000 0.213 332 L C 2.371 179.341 176.870 0.167 0.000 1.079 332 L CA 1.994 56.981 54.840 0.244 0.000 0.758 332 L CB -1.433 40.721 42.059 0.159 0.000 0.891 332 L HN 0.428 nan 8.230 nan 0.000 0.433 333 A N 0.586 123.467 122.820 0.101 0.000 1.859 333 A HA -0.215 4.104 4.320 -0.002 0.000 0.217 333 A C 2.507 180.169 177.584 0.129 0.000 1.198 333 A CA 2.121 54.208 52.037 0.084 0.000 0.629 333 A CB -0.569 18.465 19.000 0.057 0.000 0.830 333 A HN 0.483 nan 8.150 nan 0.000 0.446 334 R N -1.708 118.877 120.500 0.142 0.000 2.148 334 R HA -0.052 4.287 4.340 -0.002 0.000 0.223 334 R C 1.909 178.415 176.300 0.342 0.000 1.088 334 R CA 1.156 57.370 56.100 0.191 0.000 0.985 334 R CB -0.581 29.787 30.300 0.113 0.000 0.880 334 R HN 0.604 nan 8.270 nan 0.000 0.451 335 F N 2.295 122.341 119.950 0.159 0.000 2.269 335 F HA -0.093 4.433 4.527 -0.002 0.000 0.301 335 F C 1.653 177.666 175.800 0.356 0.000 1.082 335 F CA 0.895 59.072 58.000 0.294 0.000 1.360 335 F CB -0.219 38.887 39.000 0.177 0.000 1.041 335 F HN -0.172 nan 8.300 nan 0.000 0.512 336 S N 0.800 116.594 115.700 0.157 0.000 2.425 336 S HA 0.027 4.496 4.470 -0.002 0.000 0.225 336 S C 2.181 176.878 174.600 0.161 0.000 1.024 336 S CA 0.888 59.076 58.200 -0.020 0.000 0.951 336 S CB -0.264 62.910 63.200 -0.043 0.000 0.796 336 S HN 0.434 nan 8.310 nan 0.000 0.498 337 I N 0.145 120.878 120.570 0.271 0.000 2.264 337 I HA -0.203 3.965 4.170 -0.002 0.000 0.248 337 I C 2.326 178.756 176.117 0.521 0.000 1.111 337 I CA 1.346 62.851 61.300 0.342 0.000 1.382 337 I CB -0.343 37.862 38.000 0.342 0.000 1.060 337 I HN 0.396 nan 8.210 nan 0.000 0.418 338 W N 1.975 123.514 121.300 0.399 0.000 2.378 338 W HA -0.115 4.543 4.660 -0.002 0.000 0.313 338 W C 2.271 179.044 176.519 0.425 0.000 1.197 338 W CA 1.101 58.727 57.345 0.469 0.000 1.304 338 W CB -0.709 29.057 29.460 0.510 0.000 1.148 338 W HN -0.052 nan 8.180 nan 0.000 0.494 339 L N 1.141 122.439 121.223 0.124 0.000 2.051 339 L HA -0.341 3.998 4.340 -0.002 0.000 0.214 339 L C 2.833 179.703 176.870 0.000 0.000 1.076 339 L CA 1.816 56.588 54.840 -0.115 0.000 0.758 339 L CB -0.869 41.080 42.059 -0.184 0.000 0.890 339 L HN -0.080 nan 8.230 nan 0.000 0.433 340 K N -0.496 119.964 120.400 0.100 0.000 2.127 340 K HA -0.243 4.075 4.320 -0.002 0.000 0.208 340 K C 2.037 178.704 176.600 0.112 0.000 1.047 340 K CA 1.962 58.308 56.287 0.098 0.000 0.927 340 K CB -0.344 32.196 32.500 0.067 0.000 0.716 340 K HN 0.349 nan 8.250 nan 0.000 0.450 341 Y N 0.508 120.882 120.300 0.123 0.000 2.286 341 Y HA -0.034 4.515 4.550 -0.002 0.000 0.293 341 Y C 2.219 178.193 175.900 0.124 0.000 1.124 341 Y CA 0.701 58.902 58.100 0.169 0.000 1.178 341 Y CB -0.024 38.596 38.460 0.266 0.000 1.010 341 Y HN -0.057 nan 8.280 nan 0.000 0.536 342 L N -1.312 119.977 121.223 0.111 0.000 2.131 342 L HA -0.244 4.095 4.340 -0.002 0.000 0.210 342 L C 2.327 179.346 176.870 0.248 0.000 1.092 342 L CA 1.189 56.066 54.840 0.061 0.000 0.759 342 L CB -0.652 41.282 42.059 -0.208 0.000 0.903 342 L HN 0.149 nan 8.230 nan 0.000 0.435 343 S N -0.202 115.604 115.700 0.177 0.000 2.345 343 S HA -0.174 4.295 4.470 -0.002 0.000 0.220 343 S C 1.519 176.249 174.600 0.216 0.000 1.031 343 S CA 1.314 59.617 58.200 0.173 0.000 0.996 343 S CB -0.285 63.004 63.200 0.148 0.000 0.882 343 S HN 0.436 nan 8.310 nan 0.000 0.445 344 D N 0.784 121.343 120.400 0.265 0.000 2.203 344 D HA -0.143 4.496 4.640 -0.002 0.000 0.199 344 D C 1.483 177.984 176.300 0.334 0.000 0.997 344 D CA 0.893 55.071 54.000 0.297 0.000 0.863 344 D CB -0.346 40.594 40.800 0.234 0.000 0.928 344 D HN 0.432 nan 8.370 nan 0.000 0.458 345 F N 1.531 121.601 119.950 0.200 0.000 2.060 345 F HA -0.121 4.404 4.527 -0.002 0.000 0.295 345 F C 2.387 178.312 175.800 0.207 0.000 1.120 345 F CA 1.674 59.797 58.000 0.206 0.000 1.205 345 F CB -0.291 38.830 39.000 0.202 0.000 0.986 345 F HN -0.147 nan 8.300 nan 0.000 0.470 346 E N -0.931 119.392 120.200 0.206 0.000 2.070 346 E HA -0.351 3.998 4.350 -0.002 0.000 0.197 346 E C 2.269 178.961 176.600 0.155 0.000 1.004 346 E CA 1.878 58.355 56.400 0.129 0.000 0.805 346 E CB -0.671 29.190 29.700 0.268 0.000 0.744 346 E HN 0.630 nan 8.360 nan 0.000 0.451 347 Y N 0.947 121.221 120.300 -0.044 0.000 2.114 347 Y HA -0.199 4.350 4.550 -0.002 0.000 0.284 347 Y C 2.050 177.924 175.900 -0.044 0.000 1.143 347 Y CA 1.773 59.670 58.100 -0.338 0.000 1.135 347 Y CB -0.482 37.585 38.460 -0.655 0.000 0.980 347 Y HN 0.043 nan 8.280 nan 0.000 0.499 348 L N 0.498 121.668 121.223 -0.090 0.000 2.187 348 L HA -0.266 4.073 4.340 -0.002 0.000 0.213 348 L C 1.708 178.510 176.870 -0.114 0.000 1.100 348 L CA 1.350 56.127 54.840 -0.104 0.000 0.765 348 L CB -0.429 41.700 42.059 0.117 0.000 0.904 348 L HN 0.376 nan 8.230 nan 0.000 0.437 349 N N -0.841 117.759 118.700 -0.166 0.000 2.402 349 N HA -0.112 4.626 4.740 -0.002 0.000 0.174 349 N C 1.652 176.956 175.510 -0.344 0.000 1.027 349 N CA 0.653 53.547 53.050 -0.260 0.000 0.891 349 N CB -0.282 37.989 38.487 -0.361 0.000 1.016 349 N HN 0.267 nan 8.380 nan 0.000 0.439 350 F N 2.990 122.724 119.950 -0.361 0.000 2.111 350 F HA -0.233 4.293 4.527 -0.002 0.000 0.300 350 F C 1.885 177.421 175.800 -0.440 0.000 1.088 350 F CA 1.654 59.401 58.000 -0.422 0.000 1.243 350 F CB -0.313 38.561 39.000 -0.211 0.000 0.996 350 F HN -0.018 nan 8.300 nan 0.000 0.483 351 E N 0.323 119.892 120.200 -1.052 0.000 2.085 351 E HA -0.182 4.167 4.350 -0.002 0.000 0.194 351 E C 0.789 176.942 176.600 -0.746 0.000 0.994 351 E CA 0.846 56.641 56.400 -1.008 0.000 0.801 351 E CB -0.263 29.033 29.700 -0.673 0.000 0.743 351 E HN 0.198 nan 8.360 nan 0.000 0.453 352 K N 1.571 121.538 120.400 -0.722 0.000 2.270 352 K HA 0.032 4.350 4.320 -0.002 0.000 0.276 352 K C 0.905 177.141 176.600 -0.606 0.000 1.023 352 K CA 0.102 55.923 56.287 -0.778 0.000 0.955 352 K CB 0.922 32.671 32.500 -1.251 0.000 0.975 352 K HN -0.112 nan 8.250 nan 0.000 0.471 353 K N 1.821 121.921 120.400 -0.500 0.000 2.118 353 K HA 0.007 4.325 4.320 -0.002 0.000 0.204 353 K C 0.047 176.451 176.600 -0.327 0.000 1.049 353 K CA 0.688 56.761 56.287 -0.357 0.000 1.016 353 K CB -0.827 31.511 32.500 -0.271 0.000 1.204 353 K HN 0.570 nan 8.250 nan 0.000 0.456 354 D N 0.850 121.089 120.400 -0.269 0.000 2.423 354 D HA 0.120 4.759 4.640 -0.002 0.000 0.238 354 D C -0.508 175.612 176.300 -0.300 0.000 1.142 354 D CA 0.322 54.197 54.000 -0.208 0.000 0.884 354 D CB 0.192 40.905 40.800 -0.145 0.000 1.199 354 D HN 0.090 nan 8.370 nan 0.000 0.438 355 I N 1.862 122.319 120.570 -0.188 0.000 2.411 355 I HA 0.257 4.426 4.170 -0.002 0.000 0.284 355 I C -0.508 175.617 176.117 0.014 0.000 1.012 355 I CA -0.807 60.359 61.300 -0.222 0.000 1.119 355 I CB 1.170 39.083 38.000 -0.146 0.000 1.261 355 I HN 0.263 nan 8.210 nan 0.000 0.448 356 D N 5.004 125.421 120.400 0.029 0.000 2.423 356 D HA 0.303 4.941 4.640 -0.002 0.000 0.235 356 D C 0.843 177.320 176.300 0.295 0.000 1.011 356 D CA -0.729 53.367 54.000 0.160 0.000 0.963 356 D CB 2.066 42.920 40.800 0.090 0.000 1.349 356 D HN 0.136 nan 8.370 nan 0.000 0.508 357 V N 0.706 120.802 119.914 0.304 0.000 2.324 357 V HA -0.270 3.849 4.120 -0.002 0.000 0.250 357 V C 2.401 178.657 176.094 0.270 0.000 1.060 357 V CA 2.493 64.996 62.300 0.339 0.000 1.042 357 V CB -0.786 31.178 31.823 0.235 0.000 0.650 357 V HN 0.748 nan 8.190 nan 0.000 0.450 358 E N -1.223 119.084 120.200 0.178 0.000 2.418 358 E HA -0.204 4.145 4.350 -0.002 0.000 0.197 358 E C 1.945 178.629 176.600 0.139 0.000 1.026 358 E CA 0.663 57.135 56.400 0.119 0.000 0.862 358 E CB -0.097 29.646 29.700 0.072 0.000 0.799 358 E HN 0.807 nan 8.360 nan 0.000 0.518 359 W N 0.203 121.459 121.300 -0.073 0.000 2.381 359 W HA -0.238 4.421 4.660 -0.002 0.000 0.323 359 W C 1.169 177.596 176.519 -0.152 0.000 1.194 359 W CA 1.053 58.267 57.345 -0.218 0.000 1.296 359 W CB -0.604 28.573 29.460 -0.470 0.000 1.175 359 W HN 0.041 nan 8.180 nan 0.000 0.465 360 F N 1.847 121.758 119.950 -0.064 0.000 2.202 360 F HA -0.274 4.252 4.527 -0.002 0.000 0.301 360 F C 2.254 178.010 175.800 -0.073 0.000 1.082 360 F CA 1.563 59.469 58.000 -0.156 0.000 1.313 360 F CB -1.159 37.889 39.000 0.081 0.000 1.024 360 F HN -0.043 nan 8.300 nan 0.000 0.495 361 N N 0.079 118.891 118.700 0.187 0.000 2.309 361 N HA -0.179 4.560 4.740 -0.002 0.000 0.182 361 N C 1.839 177.383 175.510 0.057 0.000 1.018 361 N CA 0.935 54.089 53.050 0.173 0.000 0.876 361 N CB -0.376 38.196 38.487 0.141 0.000 0.972 361 N HN 0.295 nan 8.380 nan 0.000 0.434 362 Q N 1.037 120.801 119.800 -0.059 0.000 2.137 362 Q HA -0.017 4.322 4.340 -0.002 0.000 0.198 362 Q C 1.961 177.839 176.000 -0.202 0.000 0.960 362 Q CA 1.250 56.982 55.803 -0.118 0.000 0.847 362 Q CB -0.226 28.431 28.738 -0.135 0.000 0.915 362 Q HN 0.391 nan 8.270 nan 0.000 0.448 363 Q N -0.430 119.143 119.800 -0.378 0.000 2.050 363 Q HA -0.157 4.182 4.340 -0.002 0.000 0.202 363 Q C 1.986 177.953 176.000 -0.055 0.000 0.980 363 Q CA 1.689 57.284 55.803 -0.346 0.000 0.840 363 Q CB -0.347 28.086 28.738 -0.508 0.000 0.898 363 Q HN 0.466 nan 8.270 nan 0.000 0.424 364 L N 0.873 122.120 121.223 0.041 0.000 2.043 364 L HA -0.213 4.126 4.340 -0.002 0.000 0.212 364 L C 2.160 179.089 176.870 0.099 0.000 1.075 364 L CA 2.043 56.952 54.840 0.115 0.000 0.752 364 L CB -0.344 41.813 42.059 0.164 0.000 0.891 364 L HN 0.350 nan 8.230 nan 0.000 0.432 365 E N -0.901 119.343 120.200 0.074 0.000 2.338 365 E HA -0.189 4.160 4.350 -0.002 0.000 0.197 365 E C 1.479 178.115 176.600 0.060 0.000 1.007 365 E CA 0.703 57.147 56.400 0.073 0.000 0.849 365 E CB 0.097 29.833 29.700 0.059 0.000 0.774 365 E HN 0.619 nan 8.360 nan 0.000 0.506 366 N N 0.427 119.153 118.700 0.044 0.000 2.124 366 N HA -0.091 4.648 4.740 -0.002 0.000 0.188 366 N C 1.828 177.399 175.510 0.102 0.000 1.045 366 N CA 0.771 53.854 53.050 0.055 0.000 0.846 366 N CB -0.380 38.121 38.487 0.023 0.000 1.020 366 N HN 0.078 nan 8.380 nan 0.000 0.432 367 I N 1.216 121.866 120.570 0.134 0.000 2.236 367 I HA -0.270 3.899 4.170 -0.002 0.000 0.249 367 I C 2.202 178.419 176.117 0.168 0.000 1.102 367 I CA 1.122 62.538 61.300 0.194 0.000 1.365 367 I CB -0.461 37.679 38.000 0.233 0.000 1.051 367 I HN 0.027 nan 8.210 nan 0.000 0.420 368 S N 0.117 115.894 115.700 0.128 0.000 2.345 368 S HA -0.050 4.419 4.470 -0.002 0.000 0.220 368 S C 1.979 176.638 174.600 0.099 0.000 1.031 368 S CA 1.140 59.405 58.200 0.108 0.000 0.996 368 S CB -0.325 62.932 63.200 0.094 0.000 0.882 368 S HN 0.344 nan 8.310 nan 0.000 0.445 369 L N 0.960 122.236 121.223 0.089 0.000 1.994 369 L HA -0.145 4.194 4.340 -0.002 0.000 0.208 369 L C 2.581 179.505 176.870 0.089 0.000 1.071 369 L CA 1.490 56.376 54.840 0.077 0.000 0.745 369 L CB -0.750 41.346 42.059 0.063 0.000 0.892 369 L HN 0.270 nan 8.230 nan 0.000 0.431 370 E N 0.276 120.538 120.200 0.104 0.000 2.097 370 E HA -0.206 4.143 4.350 -0.002 0.000 0.196 370 E C 2.110 178.799 176.600 0.148 0.000 1.000 370 E CA 1.473 57.944 56.400 0.118 0.000 0.804 370 E CB -0.375 29.405 29.700 0.133 0.000 0.740 370 E HN 0.519 nan 8.360 nan 0.000 0.454 371 G N -0.000 108.909 108.800 0.181 0.000 2.422 371 G HA2 -0.290 3.668 3.960 -0.002 0.000 0.218 371 G HA3 -0.290 3.668 3.960 -0.002 0.000 0.218 371 G C 1.445 176.442 174.900 0.162 0.000 1.140 371 G CA 0.703 45.934 45.100 0.219 0.000 0.775 371 G HN 0.243 nan 8.290 nan 0.000 0.545 372 E N 0.044 120.313 120.200 0.114 0.000 2.072 372 E HA -0.026 4.323 4.350 -0.002 0.000 0.190 372 E C 2.720 179.362 176.600 0.071 0.000 0.982 372 E CA 0.201 56.652 56.400 0.084 0.000 0.803 372 E CB 0.021 29.759 29.700 0.065 0.000 0.755 372 E HN 0.319 nan 8.360 nan 0.000 0.453 373 R N 0.522 121.063 120.500 0.069 0.000 2.081 373 R HA -0.133 4.206 4.340 -0.002 0.000 0.235 373 R C 2.445 178.772 176.300 0.046 0.000 1.131 373 R CA 1.355 57.485 56.100 0.051 0.000 0.960 373 R CB -0.240 30.089 30.300 0.049 0.000 0.856 373 R HN 0.025 nan 8.270 nan 0.000 0.436 374 K N 1.055 121.494 120.400 0.066 0.000 2.147 374 K HA -0.147 4.172 4.320 -0.002 0.000 0.205 374 K C 2.014 178.624 176.600 0.018 0.000 1.049 374 K CA 1.320 57.630 56.287 0.039 0.000 0.936 374 K CB 0.075 32.616 32.500 0.068 0.000 0.722 374 K HN 0.045 nan 8.250 nan 0.000 0.446 375 R N -0.660 119.876 120.500 0.061 0.000 2.153 375 R HA -0.000 4.338 4.340 -0.002 0.000 0.218 375 R C 1.827 178.140 176.300 0.022 0.000 1.072 375 R CA 1.418 57.550 56.100 0.054 0.000 0.990 375 R CB 0.122 30.476 30.300 0.089 0.000 0.889 375 R HN 0.193 nan 8.270 nan 0.000 0.452 376 T N 0.049 114.616 114.554 0.021 0.000 3.014 376 T HA 0.031 4.380 4.350 -0.002 0.000 0.263 376 T C 1.635 176.334 174.700 -0.001 0.000 1.078 376 T CA 0.691 62.797 62.100 0.010 0.000 1.135 376 T CB 0.098 68.975 68.868 0.015 0.000 0.895 376 T HN 0.209 nan 8.240 nan 0.000 0.480 377 R N 0.690 121.188 120.500 -0.002 0.000 2.055 377 R HA 0.142 4.480 4.340 -0.002 0.000 0.228 377 R C 2.583 178.870 176.300 -0.022 0.000 1.143 377 R CA 1.118 57.211 56.100 -0.012 0.000 0.945 377 R CB -0.396 29.897 30.300 -0.012 0.000 0.841 377 R HN 0.305 nan 8.270 nan 0.000 0.429 378 M N -0.041 119.540 119.600 -0.031 0.000 2.124 378 M HA -0.237 4.242 4.480 -0.002 0.000 0.253 378 M C 2.312 178.594 176.300 -0.030 0.000 1.077 378 M CA 2.114 57.391 55.300 -0.040 0.000 1.085 378 M CB -0.693 31.877 32.600 -0.049 0.000 1.320 378 M HN 0.439 nan 8.290 nan 0.000 0.404 379 G N -0.269 108.517 108.800 -0.023 0.000 2.394 379 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.215 379 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.215 379 G C 1.535 176.414 174.900 -0.034 0.000 1.165 379 G CA 0.634 45.718 45.100 -0.026 0.000 0.784 379 G HN 0.417 nan 8.290 nan 0.000 0.535 380 K N 0.442 120.824 120.400 -0.030 0.000 2.057 380 K HA -0.047 4.272 4.320 -0.002 0.000 0.207 380 K C 2.505 179.080 176.600 -0.041 0.000 1.049 380 K CA 1.137 57.401 56.287 -0.037 0.000 0.931 380 K CB -0.151 32.333 32.500 -0.026 0.000 0.714 380 K HN 0.174 nan 8.250 nan 0.000 0.440 381 K N 0.821 121.201 120.400 -0.034 0.000 2.009 381 K HA -0.174 4.145 4.320 -0.002 0.000 0.210 381 K C 2.136 178.714 176.600 -0.036 0.000 1.049 381 K CA 1.228 57.495 56.287 -0.032 0.000 0.929 381 K CB -0.286 32.197 32.500 -0.027 0.000 0.714 381 K HN 0.018 nan 8.250 nan 0.000 0.440 382 L N 1.494 122.695 121.223 -0.037 0.000 2.127 382 L HA -0.176 4.163 4.340 -0.002 0.000 0.211 382 L C 1.829 178.666 176.870 -0.056 0.000 1.089 382 L CA 1.505 56.321 54.840 -0.039 0.000 0.757 382 L CB -0.362 41.675 42.059 -0.036 0.000 0.899 382 L HN 0.214 nan 8.230 nan 0.000 0.434 383 L N -1.615 119.566 121.223 -0.071 0.000 2.023 383 L HA -0.171 4.168 4.340 -0.002 0.000 0.205 383 L C 2.487 179.278 176.870 -0.131 0.000 1.073 383 L CA 1.265 56.038 54.840 -0.111 0.000 0.745 383 L CB -0.263 41.726 42.059 -0.118 0.000 0.900 383 L HN 0.313 nan 8.230 nan 0.000 0.435 384 M N -0.163 119.378 119.600 -0.098 0.000 2.143 384 M HA -0.310 4.169 4.480 -0.002 0.000 0.258 384 M C 2.122 178.392 176.300 -0.049 0.000 1.071 384 M CA 1.688 56.944 55.300 -0.073 0.000 1.088 384 M CB -1.180 31.396 32.600 -0.040 0.000 1.360 384 M HN 0.209 nan 8.290 nan 0.000 0.404 385 K N -0.151 120.224 120.400 -0.041 0.000 2.155 385 K HA -0.150 4.169 4.320 -0.002 0.000 0.203 385 K C 1.964 178.551 176.600 -0.021 0.000 1.052 385 K CA 1.063 57.337 56.287 -0.021 0.000 0.948 385 K CB 0.094 32.583 32.500 -0.017 0.000 0.728 385 K HN 0.353 nan 8.250 nan 0.000 0.448 386 Q N 0.039 119.810 119.800 -0.047 0.000 2.230 386 Q HA -0.083 4.256 4.340 -0.002 0.000 0.202 386 Q C 1.526 177.499 176.000 -0.046 0.000 0.963 386 Q CA 1.107 56.882 55.803 -0.047 0.000 0.866 386 Q CB 0.337 29.030 28.738 -0.075 0.000 0.931 386 Q HN 0.338 nan 8.270 nan 0.000 0.452 387 Q N -0.745 119.006 119.800 -0.081 0.000 2.425 387 Q HA -0.032 4.307 4.340 -0.002 0.000 0.204 387 Q C 1.170 177.209 176.000 0.064 0.000 0.933 387 Q CA 0.385 56.147 55.803 -0.067 0.000 0.939 387 Q CB 0.521 29.118 28.738 -0.236 0.000 1.044 387 Q HN 0.026 nan 8.270 nan 0.000 0.513 388 K N 0.166 120.594 120.400 0.046 0.000 2.121 388 K HA 0.046 4.365 4.320 -0.002 0.000 0.203 388 K C 1.700 178.352 176.600 0.087 0.000 1.041 388 K CA 0.576 56.908 56.287 0.075 0.000 0.969 388 K CB -0.111 32.418 32.500 0.049 0.000 0.799 388 K HN -0.125 nan 8.250 nan 0.000 0.456 389 K N 1.609 122.048 120.400 0.065 0.000 2.030 389 K HA -0.203 4.116 4.320 -0.002 0.000 0.222 389 K C 2.090 178.762 176.600 0.121 0.000 1.056 389 K CA 1.470 57.804 56.287 0.079 0.000 0.957 389 K CB -0.869 31.664 32.500 0.055 0.000 0.727 389 K HN 0.008 nan 8.250 nan 0.000 0.452 390 L N 0.865 122.159 121.223 0.118 0.000 1.963 390 L HA -0.206 4.132 4.340 -0.002 0.000 0.220 390 L C 1.999 179.001 176.870 0.219 0.000 1.076 390 L CA 1.891 56.826 54.840 0.158 0.000 0.772 390 L CB -0.568 41.537 42.059 0.076 0.000 0.892 390 L HN 0.333 nan 8.230 nan 0.000 0.435 391 I N -1.104 119.622 120.570 0.259 0.000 2.286 391 I HA -0.176 3.992 4.170 -0.002 0.000 0.248 391 I C 2.558 178.787 176.117 0.185 0.000 1.115 391 I CA 1.217 62.683 61.300 0.277 0.000 1.392 391 I CB -1.623 36.523 38.000 0.244 0.000 1.065 391 I HN 0.375 nan 8.210 nan 0.000 0.418 392 G N 1.150 110.044 108.800 0.157 0.000 2.529 392 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.219 392 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.219 392 G C 1.850 176.847 174.900 0.163 0.000 1.177 392 G CA 1.137 46.316 45.100 0.133 0.000 0.773 392 G HN 0.542 nan 8.290 nan 0.000 0.573 393 A N -0.585 122.357 122.820 0.204 0.000 2.067 393 A HA 0.248 4.567 4.320 -0.002 0.000 0.219 393 A C 2.486 180.267 177.584 0.328 0.000 1.158 393 A CA 1.684 53.893 52.037 0.287 0.000 0.661 393 A CB -0.184 19.028 19.000 0.352 0.000 0.801 393 A HN 0.293 nan 8.150 nan 0.000 0.452 394 V N -0.552 119.479 119.914 0.196 0.000 2.575 394 V HA -0.108 4.011 4.120 -0.002 0.000 0.242 394 V C 2.295 178.490 176.094 0.168 0.000 1.045 394 V CA 1.259 63.596 62.300 0.063 0.000 1.065 394 V CB -0.392 31.471 31.823 0.067 0.000 0.717 394 V HN 0.411 nan 8.190 nan 0.000 0.467 395 K N 0.419 120.895 120.400 0.126 0.000 2.044 395 K HA -0.240 4.079 4.320 -0.002 0.000 0.224 395 K C 0.076 176.728 176.600 0.087 0.000 1.056 395 K CA 2.713 59.045 56.287 0.075 0.000 0.962 395 K CB -1.758 30.784 32.500 0.070 0.000 0.730 395 K HN 0.425 nan 8.250 nan 0.000 0.453 396 P HA -0.208 nan 4.420 nan 0.000 0.211 396 P C 1.473 178.882 177.300 0.181 0.000 1.179 396 P CA 1.542 64.734 63.100 0.153 0.000 0.910 396 P CB -0.640 31.174 31.700 0.189 0.000 0.785 397 W N 1.240 122.607 121.300 0.112 0.000 2.318 397 W HA -0.225 4.434 4.660 -0.002 0.000 0.313 397 W C 2.223 178.782 176.519 0.067 0.000 1.221 397 W CA 1.417 58.844 57.345 0.136 0.000 1.266 397 W CB -1.269 28.354 29.460 0.271 0.000 1.150 397 W HN -0.142 nan 8.180 nan 0.000 0.496 398 L N 0.757 121.806 121.223 -0.291 0.000 2.017 398 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 398 L C 2.498 179.113 176.870 -0.424 0.000 1.073 398 L CA 2.082 56.530 54.840 -0.654 0.000 0.745 398 L CB -1.113 40.734 42.059 -0.353 0.000 0.894 398 L HN 0.156 nan 8.230 nan 0.000 0.432 399 L N -0.579 120.517 121.223 -0.212 0.000 2.042 399 L HA -0.264 4.075 4.340 -0.002 0.000 0.210 399 L C 2.635 179.428 176.870 -0.127 0.000 1.076 399 L CA 1.729 56.485 54.840 -0.141 0.000 0.749 399 L CB -0.510 41.509 42.059 -0.067 0.000 0.893 399 L HN 0.345 nan 8.230 nan 0.000 0.432 400 K N -0.282 120.051 120.400 -0.112 0.000 1.965 400 K HA -0.176 4.143 4.320 -0.002 0.000 0.214 400 K C 1.986 178.521 176.600 -0.109 0.000 1.046 400 K CA 2.144 58.389 56.287 -0.069 0.000 0.944 400 K CB -0.292 32.206 32.500 -0.003 0.000 0.726 400 K HN 0.068 nan 8.250 nan 0.000 0.441 401 T N 0.458 114.874 114.554 -0.231 0.000 2.684 401 T HA -0.205 4.144 4.350 -0.002 0.000 0.267 401 T C 1.722 176.332 174.700 -0.150 0.000 1.032 401 T CA 1.680 63.656 62.100 -0.207 0.000 1.155 401 T CB -0.322 68.169 68.868 -0.627 0.000 0.857 401 T HN 0.076 nan 8.240 nan 0.000 0.457 402 V N 0.676 120.454 119.914 -0.227 0.000 2.488 402 V HA 0.002 4.121 4.120 -0.002 0.000 0.246 402 V C 1.123 177.165 176.094 -0.086 0.000 1.046 402 V CA 1.113 63.303 62.300 -0.184 0.000 1.053 402 V CB -0.309 31.382 31.823 -0.220 0.000 0.679 402 V HN 0.536 nan 8.190 nan 0.000 0.458 403 Q N 1.902 121.661 119.800 -0.067 0.000 2.388 403 Q HA 0.287 4.626 4.340 -0.002 0.000 0.246 403 Q C -0.063 175.942 176.000 0.008 0.000 1.246 403 Q CA 0.486 56.270 55.803 -0.032 0.000 0.895 403 Q CB 0.030 28.748 28.738 -0.033 0.000 1.510 403 Q HN 0.271 nan 8.270 nan 0.000 0.503 404 R N 2.110 122.623 120.500 0.021 0.000 6.121 404 R HA 0.017 4.356 4.340 -0.002 0.000 0.268 404 R C -1.152 175.185 176.300 0.063 0.000 0.887 404 R CA -0.306 55.826 56.100 0.054 0.000 1.615 404 R CB 0.765 31.133 30.300 0.112 0.000 1.213 404 R HN 0.419 nan 8.270 nan 0.000 0.738 405 K N 1.474 121.896 120.400 0.037 0.000 2.156 405 K HA 0.380 4.699 4.320 -0.002 0.000 0.242 405 K C 0.020 176.657 176.600 0.062 0.000 1.033 405 K CA -0.243 56.065 56.287 0.035 0.000 0.878 405 K CB 0.789 33.298 32.500 0.014 0.000 1.057 405 K HN 0.233 nan 8.250 nan 0.000 0.505 406 V N -0.394 119.552 119.914 0.055 0.000 3.113 406 V HA 0.311 4.430 4.120 -0.002 0.000 0.316 406 V C 0.788 176.908 176.094 0.044 0.000 1.125 406 V CA -0.286 62.060 62.300 0.077 0.000 1.026 406 V CB 1.825 33.702 31.823 0.090 0.000 1.080 406 V HN 1.137 nan 8.190 nan 0.000 0.444 407 T N -1.735 112.847 114.554 0.046 0.000 3.792 407 T HA 0.271 4.620 4.350 -0.002 0.000 0.290 407 T C 0.201 174.919 174.700 0.031 0.000 0.946 407 T CA 0.944 63.060 62.100 0.027 0.000 1.172 407 T CB 0.213 69.088 68.868 0.011 0.000 1.095 407 T HN 1.499 nan 8.240 nan 0.000 0.453 413 A N 0.697 123.603 122.820 0.144 0.000 2.264 413 A HA 0.005 4.324 4.320 -0.002 0.000 0.207 413 A C 0.939 178.553 177.584 0.049 0.000 1.196 413 A CA 1.124 53.221 52.037 0.101 0.000 0.778 413 A CB -0.314 18.719 19.000 0.056 0.000 0.779 413 A HN 0.235 nan 8.150 nan 0.000 0.483 414 D N -1.346 119.052 120.400 -0.005 0.000 2.339 414 D HA 0.209 4.848 4.640 -0.002 0.000 0.217 414 D C -0.496 175.557 176.300 -0.412 0.000 1.050 414 D CA 0.511 54.370 54.000 -0.234 0.000 0.856 414 D CB 0.119 40.696 40.800 -0.372 0.000 0.922 414 D HN 0.460 nan 8.370 nan 0.000 0.518 415 F N 0.443 120.451 119.950 0.097 0.000 2.577 415 F HA 0.243 4.769 4.527 -0.002 0.000 0.318 415 F C 0.610 176.541 175.800 0.218 0.000 1.065 415 F CA -1.195 56.889 58.000 0.141 0.000 0.929 415 F CB 1.926 41.011 39.000 0.140 0.000 1.237 415 F HN -0.395 nan 8.300 nan 0.000 0.468 416 E N 1.925 122.453 120.200 0.546 0.000 2.290 416 E HA 0.265 4.614 4.350 -0.002 0.000 0.277 416 E C -0.740 176.215 176.600 0.591 0.000 1.035 416 E CA -0.622 56.081 56.400 0.505 0.000 0.873 416 E CB 0.852 30.869 29.700 0.528 0.000 1.029 416 E HN 0.378 nan 8.360 nan 0.000 0.419 417 I N 4.049 124.785 120.570 0.277 0.000 2.779 417 I HA 0.050 4.218 4.170 -0.002 0.000 0.285 417 I C -0.409 175.669 176.117 -0.066 0.000 1.134 417 I CA 0.419 61.823 61.300 0.174 0.000 1.398 417 I CB 0.486 38.452 38.000 -0.058 0.000 1.404 417 I HN 0.446 nan 8.210 nan 0.000 0.587 418 F N 7.923 127.687 119.950 -0.311 0.000 2.359 418 F HA 0.533 5.059 4.527 -0.002 0.000 0.370 418 F C -2.340 173.333 175.800 -0.213 0.000 1.077 418 F CA -2.427 55.240 58.000 -0.555 0.000 1.136 418 F CB 0.654 38.981 39.000 -1.121 0.000 1.387 418 F HN 0.314 nan 8.300 nan 0.000 0.468 419 P HA 0.175 nan 4.420 nan 0.000 0.271 419 P C -1.004 176.138 177.300 -0.264 0.000 1.218 419 P CA 0.113 63.081 63.100 -0.220 0.000 0.780 419 P CB 0.874 32.437 31.700 -0.229 0.000 0.901 420 L N 2.518 123.687 121.223 -0.091 0.000 2.298 420 L HA 0.297 4.636 4.340 -0.002 0.000 0.284 420 L C 1.468 178.303 176.870 -0.057 0.000 1.013 420 L CA -0.359 54.429 54.840 -0.087 0.000 0.824 420 L CB 1.587 43.574 42.059 -0.121 0.000 1.221 420 L HN 0.305 nan 8.230 nan 0.000 0.418 421 E N 1.511 121.666 120.200 -0.075 0.000 2.033 421 E HA -0.138 4.211 4.350 -0.002 0.000 0.189 421 E C 0.405 176.975 176.600 -0.051 0.000 0.979 421 E CA 1.069 57.434 56.400 -0.058 0.000 0.802 421 E CB 0.191 29.854 29.700 -0.063 0.000 0.763 421 E HN 0.509 nan 8.360 nan 0.000 0.449 422 D N 0.417 120.778 120.400 -0.066 0.000 2.435 422 D HA 0.050 4.689 4.640 -0.002 0.000 0.230 422 D C 0.457 176.683 176.300 -0.124 0.000 1.215 422 D CA 0.124 54.080 54.000 -0.075 0.000 0.947 422 D CB 0.262 41.024 40.800 -0.064 0.000 1.048 422 D HN 0.073 nan 8.370 nan 0.000 0.512 423 K N 1.753 122.086 120.400 -0.113 0.000 2.026 423 K HA -0.142 4.176 4.320 -0.002 0.000 0.208 423 K C 1.618 178.081 176.600 -0.228 0.000 1.048 423 K CA 0.994 57.164 56.287 -0.195 0.000 0.929 423 K CB 0.232 32.702 32.500 -0.050 0.000 0.713 423 K HN 0.466 nan 8.250 nan 0.000 0.439 424 E N 0.759 120.882 120.200 -0.129 0.000 2.070 424 E HA -0.243 4.106 4.350 -0.002 0.000 0.197 424 E C 2.096 178.623 176.600 -0.123 0.000 1.004 424 E CA 1.208 57.543 56.400 -0.109 0.000 0.805 424 E CB -0.188 29.471 29.700 -0.069 0.000 0.744 424 E HN 0.149 nan 8.360 nan 0.000 0.451 425 L N 0.769 121.922 121.223 -0.117 0.000 2.141 425 L HA -0.142 4.197 4.340 -0.002 0.000 0.209 425 L C 2.210 179.005 176.870 -0.126 0.000 1.094 425 L CA 1.044 55.822 54.840 -0.103 0.000 0.763 425 L CB -0.048 41.962 42.059 -0.082 0.000 0.908 425 L HN -0.086 nan 8.230 nan 0.000 0.437 426 V N 0.838 120.631 119.914 -0.202 0.000 2.244 426 V HA -0.285 3.834 4.120 -0.002 0.000 0.244 426 V C 2.686 178.637 176.094 -0.239 0.000 1.042 426 V CA 2.263 64.408 62.300 -0.259 0.000 1.006 426 V CB -0.872 30.665 31.823 -0.478 0.000 0.641 426 V HN 0.600 nan 8.190 nan 0.000 0.446 427 R N 1.576 121.892 120.500 -0.307 0.000 2.193 427 R HA -0.020 4.319 4.340 -0.002 0.000 0.229 427 R C 2.081 178.326 176.300 -0.092 0.000 1.110 427 R CA 1.391 57.379 56.100 -0.188 0.000 0.988 427 R CB -0.748 29.451 30.300 -0.169 0.000 0.871 427 R HN 0.426 nan 8.270 nan 0.000 0.458 428 A N 1.571 124.338 122.820 -0.088 0.000 2.121 428 A HA -0.030 4.289 4.320 -0.002 0.000 0.218 428 A C 0.868 178.438 177.584 -0.023 0.000 1.154 428 A CA 0.764 52.771 52.037 -0.050 0.000 0.679 428 A CB -0.066 18.901 19.000 -0.055 0.000 0.795 428 A HN 0.375 nan 8.150 nan 0.000 0.458 429 N N -0.419 118.273 118.700 -0.013 0.000 2.571 429 N HA 0.272 5.011 4.740 -0.002 0.000 0.298 429 N C 0.423 176.000 175.510 0.112 0.000 1.671 429 N CA -0.044 53.041 53.050 0.058 0.000 0.900 429 N CB 0.777 39.301 38.487 0.063 0.000 1.365 429 N HN 0.312 nan 8.380 nan 0.000 0.493 430 L N 0.068 121.331 121.223 0.067 0.000 2.056 430 L HA -0.091 4.248 4.340 -0.002 0.000 0.207 430 L C 1.671 178.605 176.870 0.106 0.000 1.078 430 L CA 1.194 56.082 54.840 0.080 0.000 0.749 430 L CB -0.082 42.012 42.059 0.058 0.000 0.901 430 L HN 0.040 nan 8.230 nan 0.000 0.433 431 D N -0.342 120.120 120.400 0.104 0.000 2.178 431 D HA -0.208 4.431 4.640 -0.002 0.000 0.201 431 D C 1.915 178.297 176.300 0.135 0.000 0.980 431 D CA 1.199 55.258 54.000 0.099 0.000 0.842 431 D CB -0.086 40.762 40.800 0.080 0.000 0.948 431 D HN 0.244 nan 8.370 nan 0.000 0.472 432 F N 1.566 121.553 119.950 0.062 0.000 2.084 432 F HA -0.097 4.429 4.527 -0.002 0.000 0.296 432 F C 2.186 178.078 175.800 0.153 0.000 1.111 432 F CA 1.045 59.099 58.000 0.090 0.000 1.224 432 F CB -0.446 38.587 39.000 0.055 0.000 0.991 432 F HN -0.176 nan 8.300 nan 0.000 0.471 433 L N 0.365 121.613 121.223 0.041 0.000 2.042 433 L HA -0.241 4.098 4.340 -0.002 0.000 0.210 433 L C 2.457 179.402 176.870 0.126 0.000 1.076 433 L CA 1.687 56.548 54.840 0.035 0.000 0.749 433 L CB -0.728 41.435 42.059 0.173 0.000 0.893 433 L HN 0.091 nan 8.230 nan 0.000 0.432 434 K N -0.360 120.107 120.400 0.112 0.000 2.148 434 K HA -0.195 4.124 4.320 -0.002 0.000 0.204 434 K C 2.043 178.703 176.600 0.101 0.000 1.050 434 K CA 1.095 57.462 56.287 0.133 0.000 0.942 434 K CB -0.023 32.537 32.500 0.100 0.000 0.724 434 K HN 0.308 nan 8.250 nan 0.000 0.446 435 E N 0.280 120.493 120.200 0.021 0.000 2.072 435 E HA -0.169 4.180 4.350 -0.002 0.000 0.191 435 E C 1.748 178.353 176.600 0.008 0.000 0.985 435 E CA 0.737 57.145 56.400 0.013 0.000 0.801 435 E CB -0.035 29.645 29.700 -0.034 0.000 0.750 435 E HN 0.264 nan 8.360 nan 0.000 0.452 436 F N 0.912 120.647 119.950 -0.358 0.000 2.102 436 F HA -0.144 4.382 4.527 -0.002 0.000 0.298 436 F C 2.065 177.694 175.800 -0.284 0.000 1.105 436 F CA 1.509 59.257 58.000 -0.419 0.000 1.239 436 F CB -0.284 38.291 39.000 -0.709 0.000 0.991 436 F HN 0.057 nan 8.300 nan 0.000 0.474 437 A N 0.312 123.212 122.820 0.132 0.000 1.908 437 A HA -0.249 4.070 4.320 -0.002 0.000 0.218 437 A C 2.114 179.657 177.584 -0.068 0.000 1.181 437 A CA 1.764 53.795 52.037 -0.010 0.000 0.627 437 A CB -1.661 17.469 19.000 0.216 0.000 0.818 437 A HN 0.598 nan 8.150 nan 0.000 0.445 438 F N 1.332 121.215 119.950 -0.111 0.000 2.102 438 F HA -0.174 4.352 4.527 -0.002 0.000 0.298 438 F C 1.592 177.295 175.800 -0.162 0.000 1.105 438 F CA 2.134 60.069 58.000 -0.109 0.000 1.239 438 F CB -0.149 38.807 39.000 -0.072 0.000 0.991 438 F HN 0.251 nan 8.300 nan 0.000 0.474 439 D N 0.287 120.576 120.400 -0.185 0.000 2.269 439 D HA -0.059 4.580 4.640 -0.002 0.000 0.208 439 D C 1.905 177.966 176.300 -0.399 0.000 0.963 439 D CA 1.118 54.941 54.000 -0.295 0.000 0.864 439 D CB -0.223 40.470 40.800 -0.179 0.000 0.936 439 D HN 0.358 nan 8.370 nan 0.000 0.505 440 L N -0.531 120.418 121.223 -0.457 0.000 2.667 440 L HA 0.285 4.624 4.340 -0.002 0.000 0.232 440 L C 1.089 177.732 176.870 -0.378 0.000 1.138 440 L CA -0.078 54.489 54.840 -0.455 0.000 0.921 440 L CB 0.045 41.738 42.059 -0.610 0.000 1.180 440 L HN -0.025 nan 8.230 nan 0.000 0.487 441 G N 1.291 109.867 108.800 -0.374 0.000 2.295 441 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.287 441 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.287 441 G C -0.082 174.683 174.900 -0.225 0.000 1.055 441 G CA 0.269 45.182 45.100 -0.311 0.000 0.922 441 G HN 0.267 nan 8.290 nan 0.000 0.503 442 L N -1.357 119.758 121.223 -0.180 0.000 2.298 442 L HA 0.805 5.144 4.340 -0.002 0.000 0.268 442 L C 0.643 177.543 176.870 0.050 0.000 1.010 442 L CA -1.430 53.378 54.840 -0.053 0.000 0.812 442 L CB 1.773 43.773 42.059 -0.097 0.000 1.331 442 L HN 0.070 nan 8.230 nan 0.000 0.450 443 I N 1.547 122.211 120.570 0.157 0.000 2.498 443 I HA 0.224 4.393 4.170 -0.002 0.000 0.290 443 I C -1.024 175.239 176.117 0.244 0.000 1.032 443 I CA -0.725 60.669 61.300 0.156 0.000 1.073 443 I CB 2.423 40.468 38.000 0.077 0.000 1.251 443 I HN 0.234 nan 8.210 nan 0.000 0.426 444 L N 6.962 128.324 121.223 0.231 0.000 2.312 444 L HA 0.626 4.965 4.340 -0.002 0.000 0.287 444 L C 0.164 177.001 176.870 -0.056 0.000 1.091 444 L CA 0.179 55.123 54.840 0.174 0.000 0.846 444 L CB 0.057 42.264 42.059 0.247 0.000 1.219 444 L HN 0.684 nan 8.230 nan 0.000 0.439 445 A N 5.398 128.010 122.820 -0.347 0.000 2.261 445 A HA 0.875 5.194 4.320 -0.002 0.000 0.323 445 A C -0.695 176.530 177.584 -0.599 0.000 1.107 445 A CA -0.315 51.341 52.037 -0.636 0.000 0.883 445 A CB 0.707 19.076 19.000 -1.051 0.000 1.251 445 A HN 0.922 nan 8.150 nan 0.000 0.502 446 H N -1.539 117.282 119.070 -0.414 0.000 3.003 446 H HA 0.484 5.039 4.556 -0.002 0.000 0.327 446 H C -0.738 174.514 175.328 -0.126 0.000 1.353 446 H CA -0.213 55.624 56.048 -0.351 0.000 1.142 446 H CB 0.420 29.743 29.762 -0.732 0.000 1.864 446 H HN 0.746 nan 8.280 nan 0.000 0.529 447 S N 0.506 116.255 115.700 0.083 0.000 2.560 447 S HA 0.009 4.478 4.470 -0.002 0.000 0.284 447 S C 1.187 175.834 174.600 0.077 0.000 1.327 447 S CA -0.250 57.989 58.200 0.066 0.000 1.055 447 S CB 1.569 64.785 63.200 0.028 0.000 0.868 447 S HN 0.698 nan 8.310 nan 0.000 0.506 448 K N 1.737 122.168 120.400 0.052 0.000 2.127 448 K HA -0.207 4.112 4.320 -0.002 0.000 0.212 448 K C 2.014 178.634 176.600 0.033 0.000 1.050 448 K CA 2.220 58.534 56.287 0.045 0.000 0.929 448 K CB -0.396 32.120 32.500 0.026 0.000 0.715 448 K HN 0.811 nan 8.250 nan 0.000 0.457 449 S N -0.156 115.552 115.700 0.014 0.000 2.575 449 S HA 0.135 4.604 4.470 -0.002 0.000 0.215 449 S C 0.168 174.752 174.600 -0.028 0.000 0.966 449 S CA -0.045 58.153 58.200 -0.002 0.000 0.911 449 S CB 0.217 63.417 63.200 0.001 0.000 0.780 449 S HN 0.221 nan 8.310 nan 0.000 0.514 450 K N 1.065 121.418 120.400 -0.079 0.000 3.088 450 K HA -0.184 4.134 4.320 -0.002 0.000 0.273 450 K C -0.203 176.354 176.600 -0.073 0.000 1.111 450 K CA 1.089 57.246 56.287 -0.217 0.000 0.803 450 K CB -1.277 31.109 32.500 -0.190 0.000 1.226 450 K HN 0.703 nan 8.250 nan 0.000 0.485 451 D N -0.080 120.304 120.400 -0.027 0.000 2.360 451 D HA 0.065 4.704 4.640 -0.002 0.000 0.210 451 D C 0.358 176.698 176.300 0.066 0.000 1.047 451 D CA 0.021 54.045 54.000 0.041 0.000 0.854 451 D CB 0.240 41.053 40.800 0.021 0.000 0.936 451 D HN 0.207 nan 8.370 nan 0.000 0.514 452 L N 0.059 121.296 121.223 0.024 0.000 2.436 452 L HA 0.529 4.868 4.340 -0.002 0.000 0.268 452 L C -2.197 174.711 176.870 0.063 0.000 0.974 452 L CA -1.030 53.866 54.840 0.093 0.000 0.826 452 L CB 1.896 43.990 42.059 0.058 0.000 1.291 452 L HN -0.171 nan 8.230 nan 0.000 0.406 453 Y N 4.902 125.285 120.300 0.139 0.000 2.425 453 Y HA 0.730 5.279 4.550 -0.002 0.000 0.344 453 Y C -0.937 175.030 175.900 0.112 0.000 0.969 453 Y CA -0.453 57.707 58.100 0.100 0.000 1.052 453 Y CB 1.992 40.436 38.460 -0.027 0.000 1.215 453 Y HN 0.610 nan 8.280 nan 0.000 0.451 454 Y N -0.577 119.735 120.300 0.020 0.000 2.558 454 Y HA 0.659 5.208 4.550 -0.002 0.000 0.333 454 Y C -1.688 174.181 175.900 -0.052 0.000 1.125 454 Y CA -2.423 55.635 58.100 -0.071 0.000 1.039 454 Y CB 0.776 39.227 38.460 -0.015 0.000 1.331 454 Y HN 0.404 nan 8.280 nan 0.000 0.456 455 F N 2.936 123.047 119.950 0.269 0.000 2.429 455 F HA 0.448 4.974 4.527 -0.002 0.000 0.348 455 F C 0.446 176.473 175.800 0.378 0.000 1.109 455 F CA -0.214 57.931 58.000 0.242 0.000 1.232 455 F CB 1.107 40.271 39.000 0.272 0.000 1.157 455 F HN 0.600 nan 8.300 nan 0.000 0.564 456 K N 2.206 122.938 120.400 0.554 0.000 2.443 456 K HA 0.654 4.973 4.320 -0.002 0.000 0.251 456 K C -1.575 175.243 176.600 0.362 0.000 0.972 456 K CA -1.205 55.398 56.287 0.526 0.000 0.833 456 K CB 1.833 34.594 32.500 0.436 0.000 1.317 456 K HN 0.475 nan 8.250 nan 0.000 0.441 457 L N 2.141 123.490 121.223 0.210 0.000 2.453 457 L HA 0.106 4.444 4.340 -0.002 0.000 0.272 457 L C -0.167 176.656 176.870 -0.078 0.000 1.182 457 L CA 0.568 55.349 54.840 -0.099 0.000 0.858 457 L CB 0.603 42.349 42.059 -0.522 0.000 1.120 457 L HN 0.816 nan 8.230 nan 0.000 0.474 458 D N 4.541 124.882 120.400 -0.098 0.000 2.508 458 D HA -0.029 4.609 4.640 -0.002 0.000 0.224 458 D C 1.017 177.256 176.300 -0.102 0.000 1.171 458 D CA -0.297 53.663 54.000 -0.066 0.000 1.006 458 D CB 0.542 41.306 40.800 -0.060 0.000 1.073 458 D HN 0.572 nan 8.370 nan 0.000 0.513 459 L N 3.903 125.077 121.223 -0.081 0.000 1.961 459 L HA -0.115 4.224 4.340 -0.002 0.000 0.210 459 L C 1.693 178.547 176.870 -0.027 0.000 1.072 459 L CA 1.796 56.597 54.840 -0.064 0.000 0.749 459 L CB -0.965 41.108 42.059 0.024 0.000 0.889 459 L HN 0.352 nan 8.230 nan 0.000 0.432 460 D N -1.067 119.332 120.400 -0.001 0.000 3.691 460 D HA -0.386 4.253 4.640 -0.002 0.000 0.228 460 D C 2.360 178.654 176.300 -0.011 0.000 1.236 460 D CA 2.394 56.395 54.000 0.003 0.000 0.888 460 D CB -0.489 40.316 40.800 0.008 0.000 0.969 460 D HN 0.429 nan 8.370 nan 0.000 0.560 461 S N -1.338 114.345 115.700 -0.028 0.000 2.400 461 S HA -0.097 4.372 4.470 -0.002 0.000 0.232 461 S C 1.052 175.624 174.600 -0.047 0.000 1.025 461 S CA 0.825 59.001 58.200 -0.040 0.000 0.993 461 S CB -0.302 62.858 63.200 -0.066 0.000 0.808 461 S HN 0.320 nan 8.310 nan 0.000 0.478 505 S N 1.538 117.359 115.700 0.201 0.000 2.572 505 S HA -0.027 4.442 4.470 -0.002 0.000 0.267 505 S C 1.169 175.949 174.600 0.299 0.000 1.361 505 S CA 0.291 58.656 58.200 0.275 0.000 1.009 505 S CB 0.950 64.378 63.200 0.381 0.000 0.888 505 S HN 0.816 nan 8.310 nan 0.000 0.553 506 E N 2.795 123.126 120.200 0.218 0.000 2.047 506 E HA -0.272 4.077 4.350 -0.002 0.000 0.191 506 E C 1.996 178.703 176.600 0.178 0.000 0.987 506 E CA 1.612 58.109 56.400 0.163 0.000 0.799 506 E CB -0.712 29.059 29.700 0.119 0.000 0.752 506 E HN 0.948 nan 8.360 nan 0.000 0.449 507 R N -0.331 120.314 120.500 0.242 0.000 2.189 507 R HA -0.010 4.329 4.340 -0.002 0.000 0.223 507 R C 2.337 178.808 176.300 0.284 0.000 1.092 507 R CA 1.174 57.438 56.100 0.274 0.000 0.989 507 R CB -0.884 29.615 30.300 0.332 0.000 0.876 507 R HN 0.156 nan 8.270 nan 0.000 0.457 508 F N 2.029 122.003 119.950 0.038 0.000 2.163 508 F HA -0.034 4.492 4.527 -0.002 0.000 0.297 508 F C 1.790 177.514 175.800 -0.126 0.000 1.094 508 F CA 1.026 58.787 58.000 -0.398 0.000 1.290 508 F CB -0.022 38.801 39.000 -0.295 0.000 1.017 508 F HN -0.200 nan 8.300 nan 0.000 0.483 509 V N 0.279 120.113 119.914 -0.134 0.000 2.970 509 V HA -0.132 3.986 4.120 -0.002 0.000 0.260 509 V C 2.267 178.273 176.094 -0.147 0.000 1.100 509 V CA 1.328 63.495 62.300 -0.221 0.000 1.122 509 V CB -0.676 31.110 31.823 -0.062 0.000 0.721 509 V HN 0.248 nan 8.190 nan 0.000 0.483 510 E N -0.198 119.987 120.200 -0.024 0.000 2.015 510 E HA -0.233 4.116 4.350 -0.002 0.000 0.191 510 E C 1.861 178.493 176.600 0.054 0.000 0.991 510 E CA 1.669 58.088 56.400 0.033 0.000 0.802 510 E CB -0.389 29.373 29.700 0.103 0.000 0.759 510 E HN 0.803 nan 8.360 nan 0.000 0.447 511 W N 2.627 123.883 121.300 -0.072 0.000 2.350 511 W HA -0.208 4.451 4.660 -0.002 0.000 0.289 511 W C 2.206 178.689 176.519 -0.060 0.000 1.215 511 W CA 1.790 59.114 57.345 -0.037 0.000 1.236 511 W CB -0.082 29.387 29.460 0.014 0.000 1.130 511 W HN -0.019 nan 8.180 nan 0.000 0.541 512 K N 0.664 120.765 120.400 -0.499 0.000 1.985 512 K HA -0.213 4.105 4.320 -0.002 0.000 0.210 512 K C 1.868 178.333 176.600 -0.224 0.000 1.047 512 K CA 2.320 58.221 56.287 -0.643 0.000 0.932 512 K CB -0.826 31.320 32.500 -0.590 0.000 0.716 512 K HN 0.049 nan 8.250 nan 0.000 0.439 513 D N -0.129 120.158 120.400 -0.189 0.000 2.350 513 D HA -0.118 4.520 4.640 -0.002 0.000 0.216 513 D C 1.447 177.711 176.300 -0.059 0.000 0.968 513 D CA 0.604 54.527 54.000 -0.127 0.000 0.894 513 D CB 0.315 41.020 40.800 -0.158 0.000 0.909 513 D HN 0.273 nan 8.370 nan 0.000 0.520 514 Q N -0.659 119.095 119.800 -0.076 0.000 2.392 514 Q HA -0.064 4.274 4.340 -0.002 0.000 0.203 514 Q C 1.262 177.217 176.000 -0.075 0.000 0.917 514 Q CA 0.047 55.824 55.803 -0.043 0.000 0.939 514 Q CB 0.320 29.075 28.738 0.029 0.000 1.063 514 Q HN 0.494 nan 8.270 nan 0.000 0.516 515 Y N -1.009 119.103 120.300 -0.314 0.000 2.389 515 Y HA -0.097 4.451 4.550 -0.002 0.000 0.292 515 Y C 1.229 176.936 175.900 -0.321 0.000 1.117 515 Y CA 0.921 58.787 58.100 -0.390 0.000 1.195 515 Y CB -0.061 37.975 38.460 -0.705 0.000 1.076 515 Y HN -0.055 nan 8.280 nan 0.000 0.548 516 Y N 0.968 121.060 120.300 -0.347 0.000 2.133 516 Y HA -0.122 4.427 4.550 -0.002 0.000 0.287 516 Y C 2.662 178.364 175.900 -0.330 0.000 1.134 516 Y CA 1.887 59.760 58.100 -0.378 0.000 1.133 516 Y CB -0.626 37.699 38.460 -0.225 0.000 0.987 516 Y HN -0.000 nan 8.280 nan 0.000 0.502 517 K N 0.470 120.834 120.400 -0.061 0.000 1.991 517 K HA -0.256 4.063 4.320 -0.002 0.000 0.212 517 K C 1.590 178.107 176.600 -0.139 0.000 1.049 517 K CA 2.242 58.479 56.287 -0.084 0.000 0.932 517 K CB -0.467 31.998 32.500 -0.058 0.000 0.717 517 K HN 0.248 nan 8.250 nan 0.000 0.441 518 D N 0.155 120.457 120.400 -0.164 0.000 2.156 518 D HA -0.142 4.497 4.640 -0.002 0.000 0.190 518 D C 0.588 176.708 176.300 -0.300 0.000 0.998 518 D CA 1.631 55.517 54.000 -0.191 0.000 0.842 518 D CB 0.214 40.909 40.800 -0.174 0.000 0.974 518 D HN 0.041 nan 8.370 nan 0.000 0.447 527 T N 0.545 115.027 114.554 -0.119 0.000 6.176 527 T HA -0.078 4.271 4.350 -0.002 0.000 0.303 527 T C 1.016 175.674 174.700 -0.071 0.000 0.859 527 T CA 1.973 64.026 62.100 -0.080 0.000 1.146 527 T CB -0.376 68.456 68.868 -0.059 0.000 0.871 527 T HN 0.230 nan 8.240 nan 0.000 0.256 528 D N -1.060 119.309 120.400 -0.051 0.000 2.602 528 D HA 0.173 4.812 4.640 -0.002 0.000 0.265 528 D C 1.088 177.373 176.300 -0.024 0.000 1.454 528 D CA -0.214 53.764 54.000 -0.036 0.000 0.795 528 D CB -0.374 40.413 40.800 -0.022 0.000 1.140 528 D HN 0.391 nan 8.370 nan 0.000 0.486 529 S N 0.197 115.875 115.700 -0.037 0.000 2.458 529 S HA 0.072 4.541 4.470 -0.002 0.000 0.223 529 S C 1.831 176.394 174.600 -0.061 0.000 1.019 529 S CA -0.006 58.178 58.200 -0.027 0.000 0.937 529 S CB 0.230 63.413 63.200 -0.027 0.000 0.788 529 S HN 0.310 nan 8.310 nan 0.000 0.511 530 L N 1.730 122.902 121.223 -0.086 0.000 2.056 530 L HA 0.090 4.429 4.340 -0.002 0.000 0.207 530 L C 1.836 178.679 176.870 -0.044 0.000 1.078 530 L CA 1.462 56.244 54.840 -0.097 0.000 0.749 530 L CB -0.210 41.719 42.059 -0.216 0.000 0.901 530 L HN 0.061 nan 8.230 nan 0.000 0.433 531 K N -0.223 120.154 120.400 -0.038 0.000 2.589 531 K HA -0.126 4.193 4.320 -0.002 0.000 0.192 531 K C 1.320 177.938 176.600 0.031 0.000 1.029 531 K CA 0.560 56.846 56.287 -0.002 0.000 1.031 531 K CB 0.155 32.648 32.500 -0.012 0.000 0.821 531 K HN 0.512 nan 8.250 nan 0.000 0.502 532 E N -0.092 120.128 120.200 0.033 0.000 2.453 532 E HA 0.026 4.374 4.350 -0.002 0.000 0.211 532 E C 1.668 178.357 176.600 0.147 0.000 0.897 532 E CA -0.057 56.393 56.400 0.084 0.000 1.063 532 E CB 0.312 30.060 29.700 0.079 0.000 1.080 532 E HN 0.176 nan 8.360 nan 0.000 0.512 533 M N 0.461 120.064 119.600 0.005 0.000 2.134 533 M HA -0.085 4.394 4.480 -0.002 0.000 0.262 533 M C 1.978 178.404 176.300 0.210 0.000 1.076 533 M CA 1.641 56.855 55.300 -0.144 0.000 1.143 533 M CB -0.166 32.140 32.600 -0.489 0.000 1.346 533 M HN -0.076 nan 8.290 nan 0.000 0.421 534 T N 1.061 115.713 114.554 0.162 0.000 2.544 534 T HA -0.237 4.112 4.350 -0.002 0.000 0.264 534 T C 1.486 176.357 174.700 0.285 0.000 1.096 534 T CA 2.138 64.373 62.100 0.224 0.000 1.181 534 T CB -0.695 68.255 68.868 0.138 0.000 0.864 534 T HN 0.519 nan 8.240 nan 0.000 0.415 535 E N 0.649 120.975 120.200 0.211 0.000 2.301 535 E HA -0.226 4.123 4.350 -0.002 0.000 0.202 535 E C 2.108 178.885 176.600 0.296 0.000 1.017 535 E CA 0.898 57.423 56.400 0.209 0.000 0.831 535 E CB -0.296 29.489 29.700 0.142 0.000 0.742 535 E HN 0.542 nan 8.360 nan 0.000 0.491 536 N N -0.866 118.076 118.700 0.404 0.000 2.368 536 N HA -0.108 4.631 4.740 -0.002 0.000 0.176 536 N C 1.627 177.584 175.510 0.745 0.000 1.021 536 N CA 0.125 53.500 53.050 0.541 0.000 0.888 536 N CB 0.128 38.940 38.487 0.541 0.000 0.995 536 N HN 0.078 nan 8.380 nan 0.000 0.437 537 Y N 1.948 122.576 120.300 0.547 0.000 2.109 537 Y HA -0.109 4.440 4.550 -0.002 0.000 0.281 537 Y C 2.321 178.397 175.900 0.293 0.000 1.113 537 Y CA 1.186 59.489 58.100 0.337 0.000 1.098 537 Y CB -0.674 37.933 38.460 0.245 0.000 0.996 537 Y HN -0.210 nan 8.280 nan 0.000 0.485 538 V N 0.100 120.281 119.914 0.445 0.000 2.613 538 V HA -0.351 3.768 4.120 -0.002 0.000 0.259 538 V C 2.231 178.470 176.094 0.242 0.000 1.099 538 V CA 1.953 64.473 62.300 0.366 0.000 1.115 538 V CB -1.568 30.471 31.823 0.360 0.000 0.686 538 V HN 0.662 nan 8.190 nan 0.000 0.481 539 G N -0.773 108.174 108.800 0.245 0.000 2.595 539 G HA2 0.097 4.056 3.960 -0.002 0.000 0.213 539 G HA3 0.097 4.056 3.960 -0.002 0.000 0.213 539 G C 1.506 176.460 174.900 0.091 0.000 1.141 539 G CA 0.607 45.816 45.100 0.182 0.000 0.806 539 G HN 0.550 nan 8.290 nan 0.000 0.530 540 G N 1.358 110.213 108.800 0.092 0.000 2.404 540 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.215 540 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.215 540 G C 1.770 176.494 174.900 -0.294 0.000 1.174 540 G CA 0.667 45.597 45.100 -0.284 0.000 0.780 540 G HN 0.372 nan 8.290 nan 0.000 0.537 541 L N -0.108 121.001 121.223 -0.190 0.000 1.997 541 L HA -0.209 4.130 4.340 -0.002 0.000 0.216 541 L C 3.108 179.868 176.870 -0.183 0.000 1.074 541 L CA 1.448 56.198 54.840 -0.151 0.000 0.763 541 L CB -0.464 41.579 42.059 -0.028 0.000 0.890 541 L HN 0.213 nan 8.230 nan 0.000 0.434 542 Q N -1.209 118.486 119.800 -0.174 0.000 2.291 542 Q HA -0.248 4.091 4.340 -0.002 0.000 0.206 542 Q C 1.885 177.580 176.000 -0.508 0.000 0.976 542 Q CA 1.650 57.261 55.803 -0.321 0.000 0.875 542 Q CB -0.202 28.443 28.738 -0.154 0.000 0.927 542 Q HN 0.629 nan 8.270 nan 0.000 0.450 543 W N 0.012 120.854 121.300 -0.764 0.000 2.443 543 W HA -0.134 4.525 4.660 -0.002 0.000 0.296 543 W C 1.897 177.903 176.519 -0.854 0.000 1.202 543 W CA 1.046 57.715 57.345 -1.127 0.000 1.312 543 W CB -0.155 28.364 29.460 -1.568 0.000 1.120 543 W HN -0.163 nan 8.180 nan 0.000 0.536 544 V N 1.194 120.822 119.914 -0.477 0.000 2.219 544 V HA -0.386 3.733 4.120 -0.002 0.000 0.248 544 V C 2.375 178.079 176.094 -0.649 0.000 1.053 544 V CA 1.908 63.820 62.300 -0.647 0.000 1.009 544 V CB -1.445 30.151 31.823 -0.378 0.000 0.636 544 V HN 0.180 nan 8.190 nan 0.000 0.445 545 L N -1.279 119.712 121.223 -0.387 0.000 2.043 545 L HA -0.208 4.130 4.340 -0.002 0.000 0.212 545 L C 2.536 179.300 176.870 -0.178 0.000 1.075 545 L CA 2.271 56.991 54.840 -0.200 0.000 0.752 545 L CB -1.372 40.535 42.059 -0.254 0.000 0.891 545 L HN 0.378 nan 8.230 nan 0.000 0.432 546 Y N -1.432 118.614 120.300 -0.424 0.000 2.200 546 Y HA -0.257 4.291 4.550 -0.002 0.000 0.290 546 Y C 2.607 178.187 175.900 -0.532 0.000 1.137 546 Y CA 0.538 58.367 58.100 -0.451 0.000 1.163 546 Y CB -1.215 36.906 38.460 -0.565 0.000 0.988 546 Y HN 0.098 nan 8.280 nan 0.000 0.518 547 Y N -0.282 119.491 120.300 -0.878 0.000 1.993 547 Y HA -0.387 4.162 4.550 -0.002 0.000 0.267 547 Y C 2.389 177.978 175.900 -0.518 0.000 1.155 547 Y CA 2.017 59.483 58.100 -1.056 0.000 1.105 547 Y CB -1.140 36.207 38.460 -1.854 0.000 0.960 547 Y HN 0.067 nan 8.280 nan 0.000 0.486 548 Y N -1.725 118.376 120.300 -0.331 0.000 2.207 548 Y HA -0.258 4.291 4.550 -0.002 0.000 0.287 548 Y C 2.299 178.051 175.900 -0.247 0.000 1.156 548 Y CA 1.520 59.455 58.100 -0.275 0.000 1.182 548 Y CB -1.268 37.056 38.460 -0.227 0.000 0.979 548 Y HN 0.270 nan 8.280 nan 0.000 0.521 549 Y N -0.974 119.286 120.300 -0.067 0.000 2.476 549 Y HA 0.072 4.620 4.550 -0.002 0.000 0.283 549 Y C 1.822 177.606 175.900 -0.193 0.000 1.109 549 Y CA 0.776 58.839 58.100 -0.061 0.000 1.246 549 Y CB 0.202 38.693 38.460 0.051 0.000 1.068 549 Y HN -0.059 nan 8.280 nan 0.000 0.552 550 R N -0.913 119.500 120.500 -0.144 0.000 2.521 550 R HA 0.452 4.791 4.340 -0.002 0.000 0.289 550 R C 0.399 176.435 176.300 -0.440 0.000 0.936 550 R CA 0.547 56.409 56.100 -0.397 0.000 1.089 550 R CB 1.230 31.332 30.300 -0.331 0.000 1.348 550 R HN 0.247 nan 8.270 nan 0.000 0.536 551 G N 0.947 109.509 108.800 -0.396 0.000 2.408 551 G HA2 -0.196 3.762 3.960 -0.002 0.000 0.682 551 G HA3 -0.196 3.762 3.960 -0.002 0.000 0.682 551 G C -0.700 173.964 174.900 -0.393 0.000 1.303 551 G CA -0.749 44.160 45.100 -0.318 0.000 0.966 551 G HN 0.149 nan 8.290 nan 0.000 0.560 552 C N 2.278 121.362 119.300 -0.359 0.000 2.590 552 C HA 0.468 4.927 4.460 -0.002 0.000 0.411 552 C C 0.207 174.931 174.990 -0.443 0.000 1.420 552 C CA 0.275 58.986 59.018 -0.513 0.000 1.643 552 C CB 0.260 27.573 27.740 -0.711 0.000 2.528 552 C HN 0.657 nan 8.230 nan 0.000 0.606 553 P HA 0.122 nan 4.420 nan 0.000 0.259 553 P C -0.162 177.097 177.300 -0.069 0.000 1.233 553 P CA 0.577 63.461 63.100 -0.361 0.000 0.827 553 P CB 0.435 31.800 31.700 -0.558 0.000 1.154 554 S N -0.909 114.848 115.700 0.095 0.000 2.599 554 S HA 0.274 4.743 4.470 -0.002 0.000 0.269 554 S C -0.849 173.992 174.600 0.402 0.000 1.135 554 S CA -0.552 57.863 58.200 0.358 0.000 1.027 554 S CB -0.296 63.224 63.200 0.534 0.000 1.129 554 S HN -0.052 nan 8.310 nan 0.000 0.458 555 W N 3.190 124.623 121.300 0.222 0.000 3.077 555 W HA 0.040 4.699 4.660 -0.002 0.000 0.245 555 W C 2.148 178.692 176.519 0.041 0.000 1.316 555 W CA 0.769 58.186 57.345 0.120 0.000 1.537 555 W CB 0.434 29.922 29.460 0.047 0.000 1.131 555 W HN 0.829 nan 8.180 nan 0.000 0.695 556 S N -2.293 113.605 115.700 0.330 0.000 2.591 556 S HA -0.029 4.440 4.470 -0.002 0.000 0.235 556 S C 0.513 175.258 174.600 0.241 0.000 1.074 556 S CA -0.613 57.719 58.200 0.221 0.000 0.925 556 S CB -0.922 62.429 63.200 0.252 0.000 0.818 556 S HN 0.193 nan 8.310 nan 0.000 0.535 557 W N 3.738 125.111 121.300 0.122 0.000 2.571 557 W HA 0.233 4.891 4.660 -0.002 0.000 0.334 557 W C -0.323 176.158 176.519 -0.064 0.000 1.141 557 W CA 0.486 57.853 57.345 0.037 0.000 1.299 557 W CB -0.083 29.379 29.460 0.003 0.000 1.154 557 W HN 0.469 nan 8.180 nan 0.000 0.563 558 Y N 3.648 123.185 120.300 -1.272 0.000 2.655 558 Y HA 0.483 5.032 4.550 -0.002 0.000 0.336 558 Y C -1.730 173.062 175.900 -1.846 0.000 1.154 558 Y CA -2.216 55.108 58.100 -1.293 0.000 1.055 558 Y CB 0.586 38.700 38.460 -0.577 0.000 1.295 558 Y HN 0.382 nan 8.280 nan 0.000 0.465 559 Y N 2.659 122.232 120.300 -1.213 0.000 2.313 559 Y HA 0.467 5.016 4.550 -0.002 0.000 0.332 559 Y C 0.844 176.247 175.900 -0.829 0.000 1.071 559 Y CA -1.212 56.408 58.100 -0.800 0.000 1.169 559 Y CB 1.408 39.780 38.460 -0.146 0.000 1.192 559 Y HN 0.757 nan 8.280 nan 0.000 0.487 560 R N 3.901 123.492 120.500 -1.516 0.000 2.297 560 R HA 0.057 4.395 4.340 -0.002 0.000 0.197 560 R C -0.926 174.318 176.300 -1.761 0.000 0.943 560 R CA 0.410 55.398 56.100 -1.854 0.000 1.038 560 R CB 0.168 29.410 30.300 -1.764 0.000 0.957 560 R HN 0.501 nan 8.270 nan 0.000 0.484 561 Y N -2.046 117.700 120.300 -0.923 0.000 2.630 561 Y HA 0.271 4.820 4.550 -0.002 0.000 0.337 561 Y C 0.838 176.842 175.900 0.173 0.000 1.051 561 Y CA -1.130 56.801 58.100 -0.282 0.000 1.121 561 Y CB 0.848 39.074 38.460 -0.391 0.000 1.299 561 Y HN -0.150 nan 8.280 nan 0.000 0.498 562 H N -1.318 118.052 119.070 0.501 0.000 2.551 562 H HA 0.288 4.842 4.556 -0.002 0.000 0.271 562 H C -1.247 174.093 175.328 0.021 0.000 0.984 562 H CA 0.194 56.389 56.048 0.245 0.000 1.164 562 H CB 0.257 30.062 29.762 0.070 0.000 1.437 562 H HN 0.488 nan 8.280 nan 0.000 0.550 563 Y N -0.924 119.605 120.300 0.382 0.000 2.581 563 Y HA 0.588 5.137 4.550 -0.002 0.000 0.345 563 Y C -0.039 176.037 175.900 0.293 0.000 1.036 563 Y CA -1.645 56.600 58.100 0.241 0.000 1.042 563 Y CB 1.409 39.884 38.460 0.026 0.000 1.289 563 Y HN -0.035 nan 8.280 nan 0.000 0.471 564 A N 2.476 125.467 122.820 0.285 0.000 2.332 564 A HA 0.593 4.912 4.320 -0.002 0.000 0.258 564 A C -2.383 175.150 177.584 -0.086 0.000 1.087 564 A CA -1.371 50.638 52.037 -0.047 0.000 0.802 564 A CB -0.206 18.629 19.000 -0.276 0.000 1.042 564 A HN 0.486 nan 8.150 nan 0.000 0.489 565 P HA 0.072 nan 4.420 nan 0.000 0.282 565 P C -0.253 176.955 177.300 -0.154 0.000 1.273 565 P CA 0.053 63.063 63.100 -0.149 0.000 0.809 565 P CB 0.298 31.933 31.700 -0.108 0.000 1.246 566 R N -0.329 120.124 120.500 -0.079 0.000 2.720 566 R HA 0.364 4.702 4.340 -0.002 0.000 0.272 566 R C 1.643 177.911 176.300 -0.054 0.000 0.991 566 R CA -0.850 55.166 56.100 -0.141 0.000 1.010 566 R CB 0.289 30.473 30.300 -0.194 0.000 1.141 566 R HN 0.348 nan 8.270 nan 0.000 0.494 567 I N 0.735 121.292 120.570 -0.021 0.000 2.145 567 I HA -0.379 3.790 4.170 -0.002 0.000 0.244 567 I C 1.970 178.100 176.117 0.022 0.000 1.075 567 I CA 1.848 63.162 61.300 0.023 0.000 1.332 567 I CB -0.254 37.794 38.000 0.080 0.000 1.033 567 I HN 0.539 nan 8.210 nan 0.000 0.410 568 S N 0.022 115.735 115.700 0.022 0.000 2.423 568 S HA -0.136 4.333 4.470 -0.002 0.000 0.231 568 S C 1.239 175.855 174.600 0.027 0.000 1.014 568 S CA 1.205 59.417 58.200 0.021 0.000 0.965 568 S CB -0.246 62.939 63.200 -0.026 0.000 0.785 568 S HN 0.464 nan 8.310 nan 0.000 0.495 569 D N 0.666 121.077 120.400 0.018 0.000 2.349 569 D HA 0.150 4.789 4.640 -0.002 0.000 0.214 569 D C 1.447 177.773 176.300 0.042 0.000 1.063 569 D CA 0.109 54.124 54.000 0.025 0.000 0.847 569 D CB 0.007 40.840 40.800 0.055 0.000 0.933 569 D HN 0.200 nan 8.370 nan 0.000 0.513 570 V N 1.490 121.428 119.914 0.040 0.000 2.913 570 V HA -0.177 3.942 4.120 -0.002 0.000 0.260 570 V C 2.340 178.447 176.094 0.021 0.000 1.098 570 V CA 0.895 63.235 62.300 0.067 0.000 1.121 570 V CB -0.573 31.313 31.823 0.105 0.000 0.714 570 V HN 0.291 nan 8.190 nan 0.000 0.487 571 I N -0.434 120.128 120.570 -0.014 0.000 2.394 571 I HA -0.144 4.024 4.170 -0.002 0.000 0.251 571 I C 1.971 178.088 176.117 0.000 0.000 1.136 571 I CA 1.056 62.334 61.300 -0.037 0.000 1.425 571 I CB -0.668 37.318 38.000 -0.022 0.000 1.079 571 I HN 0.221 nan 8.210 nan 0.000 0.425 572 K N 1.745 122.156 120.400 0.019 0.000 2.664 572 K HA 0.020 4.339 4.320 -0.002 0.000 0.193 572 K C 1.412 178.042 176.600 0.050 0.000 1.028 572 K CA 0.795 57.095 56.287 0.023 0.000 1.005 572 K CB -0.422 32.082 32.500 0.007 0.000 0.815 572 K HN 0.524 nan 8.250 nan 0.000 0.496 573 G N 0.463 109.306 108.800 0.071 0.000 3.146 573 G HA2 0.054 4.013 3.960 -0.002 0.000 0.238 573 G HA3 0.054 4.013 3.960 -0.002 0.000 0.238 573 G C 1.329 176.294 174.900 0.107 0.000 1.022 573 G CA -0.250 44.919 45.100 0.115 0.000 0.880 573 G HN 0.288 nan 8.290 nan 0.000 0.533 574 I N -1.902 118.707 120.570 0.065 0.000 2.500 574 I HA 0.196 4.365 4.170 -0.002 0.000 0.252 574 I C -0.172 175.973 176.117 0.046 0.000 1.142 574 I CA 0.165 61.499 61.300 0.058 0.000 1.451 574 I CB -0.096 37.907 38.000 0.004 0.000 1.093 574 I HN -0.264 nan 8.210 nan 0.000 0.430 575 D N 3.977 124.397 120.400 0.034 0.000 2.429 575 D HA 0.121 4.760 4.640 -0.002 0.000 0.253 575 D C -0.029 176.290 176.300 0.031 0.000 1.294 575 D CA 0.677 54.693 54.000 0.027 0.000 1.063 575 D CB 0.036 40.848 40.800 0.020 0.000 1.096 575 D HN 0.664 nan 8.370 nan 0.000 0.516 576 Q N 1.040 120.857 119.800 0.028 0.000 2.721 576 Q HA 0.151 4.489 4.340 -0.002 0.000 0.282 576 Q C -1.952 174.052 176.000 0.006 0.000 0.932 576 Q CA -0.989 54.827 55.803 0.022 0.000 0.816 576 Q CB 1.144 29.903 28.738 0.035 0.000 1.506 576 Q HN 0.103 nan 8.270 nan 0.000 0.399 577 N N 3.474 122.167 118.700 -0.012 0.000 2.558 577 N HA 0.296 5.034 4.740 -0.002 0.000 0.242 577 N C -0.854 174.612 175.510 -0.074 0.000 0.979 577 N CA -0.338 52.696 53.050 -0.027 0.000 0.931 577 N CB 0.697 39.173 38.487 -0.018 0.000 1.122 577 N HN 0.688 nan 8.380 nan 0.000 0.508 578 I N 3.555 124.072 120.570 -0.088 0.000 2.243 578 I HA 0.138 4.306 4.170 -0.002 0.000 0.297 578 I C 0.465 176.417 176.117 -0.275 0.000 1.161 578 I CA -0.348 60.831 61.300 -0.201 0.000 1.298 578 I CB -0.256 37.668 38.000 -0.125 0.000 1.475 578 I HN 0.458 nan 8.210 nan 0.000 0.561 579 E N 5.406 125.375 120.200 -0.385 0.000 2.244 579 E HA 0.732 5.081 4.350 -0.002 0.000 0.266 579 E C -1.544 174.698 176.600 -0.597 0.000 0.914 579 E CA -0.745 55.442 56.400 -0.354 0.000 0.794 579 E CB 2.234 31.823 29.700 -0.185 0.000 1.210 579 E HN 0.249 nan 8.360 nan 0.000 0.414 580 F N 0.091 119.962 119.950 -0.132 0.000 2.599 580 F HA 0.383 4.909 4.527 -0.002 0.000 0.311 580 F C 0.027 175.685 175.800 -0.237 0.000 1.076 580 F CA -0.923 57.045 58.000 -0.052 0.000 0.937 580 F CB 2.102 41.147 39.000 0.075 0.000 1.282 580 F HN 0.398 nan 8.300 nan 0.000 0.460 581 H N 1.266 120.549 119.070 0.355 0.000 2.495 581 H HA 0.262 4.817 4.556 -0.002 0.000 0.348 581 H C 0.362 175.848 175.328 0.263 0.000 1.113 581 H CA -0.726 55.470 56.048 0.246 0.000 1.195 581 H CB 2.642 32.516 29.762 0.187 0.000 1.521 581 H HN 0.645 nan 8.280 nan 0.000 0.509 582 K N 2.541 123.122 120.400 0.301 0.000 1.968 582 K HA -0.014 4.305 4.320 -0.002 0.000 0.222 582 K C 0.862 177.680 176.600 0.363 0.000 1.043 582 K CA 1.753 58.204 56.287 0.274 0.000 0.991 582 K CB -0.282 32.344 32.500 0.210 0.000 0.744 582 K HN 0.913 nan 8.250 nan 0.000 0.445 583 G N -0.620 108.372 108.800 0.321 0.000 2.475 583 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.223 583 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.223 583 G C -1.199 173.853 174.900 0.253 0.000 1.201 583 G CA 0.121 45.388 45.100 0.279 0.000 0.962 583 G HN 0.537 nan 8.290 nan 0.000 0.586 584 Q N 0.468 120.324 119.800 0.093 0.000 2.418 584 Q HA 0.566 4.905 4.340 -0.002 0.000 0.282 584 Q C -2.539 173.125 176.000 -0.559 0.000 1.044 584 Q CA -1.518 54.153 55.803 -0.221 0.000 0.813 584 Q CB 3.349 32.057 28.738 -0.050 0.000 1.428 584 Q HN 0.608 nan 8.270 nan 0.000 0.402 585 P HA 0.125 nan 4.420 nan 0.000 0.273 585 P C -0.786 176.398 177.300 -0.193 0.000 1.250 585 P CA -0.253 62.203 63.100 -1.072 0.000 0.793 585 P CB 0.500 31.294 31.700 -1.510 0.000 1.011 586 F N 0.105 119.998 119.950 -0.094 0.000 2.490 586 F HA 0.172 4.698 4.527 -0.002 0.000 0.336 586 F C 1.646 177.542 175.800 0.160 0.000 1.178 586 F CA -0.162 57.858 58.000 0.034 0.000 1.301 586 F CB -0.297 38.728 39.000 0.041 0.000 1.175 586 F HN 0.151 nan 8.300 nan 0.000 0.593 587 K N 3.240 123.793 120.400 0.255 0.000 2.258 587 K HA 0.093 4.412 4.320 -0.002 0.000 0.264 587 K C -1.614 175.042 176.600 0.094 0.000 1.007 587 K CA -1.148 55.142 56.287 0.006 0.000 0.941 587 K CB 0.224 32.611 32.500 -0.188 0.000 0.966 587 K HN 0.201 nan 8.250 nan 0.000 0.480 588 P HA -0.242 nan 4.420 nan 0.000 0.216 588 P C 0.962 178.343 177.300 0.135 0.000 1.167 588 P CA 1.618 64.765 63.100 0.078 0.000 0.914 588 P CB 0.025 31.685 31.700 -0.067 0.000 0.793 589 F N -0.288 119.634 119.950 -0.047 0.000 2.095 589 F HA -0.182 4.344 4.527 -0.002 0.000 0.298 589 F C 2.553 178.209 175.800 -0.239 0.000 1.104 589 F CA 1.052 58.961 58.000 -0.152 0.000 1.232 589 F CB -1.874 37.036 39.000 -0.150 0.000 0.987 589 F HN 0.063 nan 8.300 nan 0.000 0.475 590 Q N -0.396 119.386 119.800 -0.030 0.000 2.112 590 Q HA -0.270 4.068 4.340 -0.002 0.000 0.206 590 Q C 2.301 178.079 176.000 -0.371 0.000 0.987 590 Q CA 1.753 57.371 55.803 -0.307 0.000 0.858 590 Q CB -0.473 27.981 28.738 -0.473 0.000 0.905 590 Q HN 0.476 nan 8.270 nan 0.000 0.420 591 Q N 0.882 120.633 119.800 -0.081 0.000 2.046 591 Q HA -0.147 4.192 4.340 -0.002 0.000 0.200 591 Q C 2.189 178.207 176.000 0.029 0.000 0.975 591 Q CA 1.047 56.929 55.803 0.132 0.000 0.836 591 Q CB -0.159 28.749 28.738 0.283 0.000 0.896 591 Q HN 0.434 nan 8.270 nan 0.000 0.428 592 L N 0.100 121.336 121.223 0.022 0.000 2.043 592 L HA -0.263 4.076 4.340 -0.002 0.000 0.212 592 L C 2.720 179.517 176.870 -0.122 0.000 1.075 592 L CA 1.123 55.950 54.840 -0.022 0.000 0.752 592 L CB -0.374 41.684 42.059 -0.001 0.000 0.891 592 L HN 0.318 nan 8.230 nan 0.000 0.432 593 M N -1.068 118.414 119.600 -0.196 0.000 2.098 593 M HA -0.102 4.377 4.480 -0.002 0.000 0.262 593 M C 2.573 178.716 176.300 -0.262 0.000 1.072 593 M CA 1.885 57.054 55.300 -0.218 0.000 1.133 593 M CB -1.048 31.397 32.600 -0.258 0.000 1.344 593 M HN 0.281 nan 8.290 nan 0.000 0.414 594 A N -0.367 122.306 122.820 -0.245 0.000 1.978 594 A HA 0.002 4.321 4.320 -0.002 0.000 0.220 594 A C 1.176 178.634 177.584 -0.209 0.000 1.170 594 A CA 0.978 52.888 52.037 -0.212 0.000 0.636 594 A CB -0.376 18.597 19.000 -0.046 0.000 0.810 594 A HN 0.292 nan 8.150 nan 0.000 0.448 595 V N -0.217 119.605 119.914 -0.153 0.000 2.540 595 V HA 0.665 4.784 4.120 -0.002 0.000 0.302 595 V C -0.535 175.457 176.094 -0.170 0.000 1.035 595 V CA -0.448 61.769 62.300 -0.137 0.000 0.873 595 V CB 1.281 33.091 31.823 -0.022 0.000 0.992 595 V HN 0.460 nan 8.190 nan 0.000 0.428 596 L N 5.900 127.002 121.223 -0.201 0.000 5.644 596 L HA 0.083 4.422 4.340 -0.002 0.000 0.234 596 L C -2.827 173.933 176.870 -0.183 0.000 1.160 596 L CA -0.780 53.977 54.840 -0.139 0.000 0.710 596 L CB 1.600 43.599 42.059 -0.099 0.000 1.420 596 L HN 0.499 nan 8.230 nan 0.000 0.184 597 P HA 0.205 nan 4.420 nan 0.000 0.278 597 P C -0.356 176.977 177.300 0.055 0.000 1.238 597 P CA -0.187 62.921 63.100 0.014 0.000 0.794 597 P CB 0.758 32.615 31.700 0.261 0.000 0.955 598 E N 1.014 121.271 120.200 0.095 0.000 2.438 598 E HA 0.018 4.367 4.350 -0.002 0.000 0.192 598 E C 1.379 178.020 176.600 0.068 0.000 1.110 598 E CA 0.135 56.585 56.400 0.083 0.000 0.893 598 E CB -0.211 29.541 29.700 0.087 0.000 0.990 598 E HN 0.368 nan 8.360 nan 0.000 0.490 599 R N 0.464 121.018 120.500 0.090 0.000 2.246 599 R HA 0.024 4.363 4.340 -0.002 0.000 0.199 599 R C 0.942 177.258 176.300 0.026 0.000 0.984 599 R CA 0.757 56.896 56.100 0.064 0.000 1.015 599 R CB 0.430 30.780 30.300 0.084 0.000 0.930 599 R HN 0.028 nan 8.270 nan 0.000 0.475 600 S N 0.457 116.169 115.700 0.021 0.000 2.256 600 S HA 0.153 4.622 4.470 -0.002 0.000 0.210 600 S C 0.629 175.219 174.600 -0.017 0.000 1.329 600 S CA -0.819 57.374 58.200 -0.011 0.000 1.267 600 S CB 0.641 63.827 63.200 -0.022 0.000 1.086 600 S HN 0.226 nan 8.310 nan 0.000 0.468 601 K N 1.400 121.793 120.400 -0.012 0.000 2.288 601 K HA -0.081 4.238 4.320 -0.002 0.000 0.201 601 K C 0.793 177.374 176.600 -0.031 0.000 1.048 601 K CA 1.059 57.335 56.287 -0.018 0.000 0.956 601 K CB -0.614 31.878 32.500 -0.013 0.000 0.746 601 K HN 0.472 nan 8.250 nan 0.000 0.461 602 N N 1.375 120.055 118.700 -0.032 0.000 2.680 602 N HA -0.097 4.642 4.740 -0.002 0.000 0.197 602 N C 0.981 176.469 175.510 -0.037 0.000 1.288 602 N CA 0.741 53.770 53.050 -0.035 0.000 0.924 602 N CB -0.245 38.219 38.487 -0.039 0.000 1.025 602 N HN 0.364 nan 8.380 nan 0.000 0.447 603 L N -0.859 120.340 121.223 -0.040 0.000 2.624 603 L HA 0.287 4.626 4.340 -0.002 0.000 0.222 603 L C 0.514 177.362 176.870 -0.037 0.000 1.046 603 L CA -0.384 54.437 54.840 -0.030 0.000 0.872 603 L CB -0.271 41.770 42.059 -0.031 0.000 1.190 603 L HN -0.023 nan 8.230 nan 0.000 0.487 604 I N -1.292 119.230 120.570 -0.080 0.000 3.524 604 I HA 0.104 4.273 4.170 -0.002 0.000 0.239 604 I C -2.194 173.831 176.117 -0.153 0.000 1.291 604 I CA -1.916 59.279 61.300 -0.174 0.000 1.048 604 I CB -1.333 36.521 38.000 -0.243 0.000 1.528 604 I HN -0.158 nan 8.210 nan 0.000 0.814 605 P HA 0.128 nan 4.420 nan 0.000 0.275 605 P C 0.731 178.045 177.300 0.024 0.000 1.276 605 P CA -0.232 62.820 63.100 -0.080 0.000 0.782 605 P CB 0.574 32.223 31.700 -0.085 0.000 0.851 606 V N 2.941 122.848 119.914 -0.011 0.000 2.944 606 V HA -0.218 3.901 4.120 -0.002 0.000 0.265 606 V C 2.077 178.160 176.094 -0.019 0.000 1.125 606 V CA 1.377 63.670 62.300 -0.012 0.000 1.145 606 V CB -1.357 30.455 31.823 -0.018 0.000 0.725 606 V HN 0.341 nan 8.190 nan 0.000 0.510 607 V N -1.696 118.200 119.914 -0.031 0.000 2.944 607 V HA -0.214 3.904 4.120 -0.002 0.000 0.265 607 V C 1.215 177.181 176.094 -0.214 0.000 1.125 607 V CA 1.362 63.604 62.300 -0.097 0.000 1.145 607 V CB -1.506 30.240 31.823 -0.127 0.000 0.725 607 V HN 0.548 nan 8.190 nan 0.000 0.510 623 Y N 4.445 124.848 120.300 0.171 0.000 2.700 623 Y HA 0.440 4.989 4.550 -0.002 0.000 0.333 623 Y C -2.092 173.742 175.900 -0.110 0.000 1.036 623 Y CA -3.738 54.330 58.100 -0.053 0.000 1.287 623 Y CB -1.281 37.067 38.460 -0.187 0.000 1.132 623 Y HN -0.069 nan 8.280 nan 0.000 0.510 624 P HA -0.066 nan 4.420 nan 0.000 0.272 624 P C 0.329 177.617 177.300 -0.020 0.000 1.225 624 P CA 0.428 63.506 63.100 -0.037 0.000 0.800 624 P CB 0.886 32.530 31.700 -0.093 0.000 0.894 625 N N -0.529 118.251 118.700 0.132 0.000 2.241 625 N HA 0.184 4.923 4.740 -0.002 0.000 0.238 625 N C -0.763 174.944 175.510 0.329 0.000 1.244 625 N CA 0.007 53.227 53.050 0.284 0.000 0.880 625 N CB 0.455 39.040 38.487 0.162 0.000 1.179 625 N HN 0.353 nan 8.380 nan 0.000 0.513 626 E N -1.054 119.337 120.200 0.320 0.000 2.388 626 E HA 0.607 4.956 4.350 -0.002 0.000 0.280 626 E C -1.603 175.131 176.600 0.224 0.000 1.019 626 E CA -0.570 55.963 56.400 0.221 0.000 0.806 626 E CB 1.855 31.618 29.700 0.106 0.000 1.246 626 E HN -0.203 nan 8.360 nan 0.000 0.443 642 V N 1.256 121.155 119.914 -0.025 0.000 2.521 642 V HA 0.187 4.306 4.120 -0.002 0.000 0.286 642 V C 0.970 177.039 176.094 -0.041 0.000 1.034 642 V CA 0.039 62.335 62.300 -0.007 0.000 1.045 642 V CB 0.860 32.701 31.823 0.029 0.000 0.974 642 V HN 0.802 nan 8.190 nan 0.000 0.480 643 K N 3.670 123.996 120.400 -0.123 0.000 2.862 643 K HA 0.239 4.558 4.320 -0.002 0.000 0.229 643 K C 0.111 176.541 176.600 -0.284 0.000 1.107 643 K CA -0.437 55.623 56.287 -0.377 0.000 1.222 643 K CB 0.003 32.353 32.500 -0.249 0.000 1.067 643 K HN 0.611 nan 8.250 nan 0.000 0.464 644 I N 2.365 122.871 120.570 -0.106 0.000 2.741 644 I HA -0.147 4.022 4.170 -0.002 0.000 0.288 644 I C 0.338 176.393 176.117 -0.104 0.000 1.192 644 I CA 0.522 61.769 61.300 -0.089 0.000 1.426 644 I CB 0.451 38.394 38.000 -0.094 0.000 1.367 644 I HN 0.222 nan 8.210 nan 0.000 0.563 645 S N 6.726 122.390 115.700 -0.060 0.000 2.558 645 S HA 0.071 4.540 4.470 -0.002 0.000 0.293 645 S C 0.371 175.000 174.600 0.049 0.000 1.292 645 S CA -0.506 57.711 58.200 0.028 0.000 1.063 645 S CB 0.003 63.235 63.200 0.053 0.000 0.831 645 S HN 0.424 nan 8.310 nan 0.000 0.499 646 F N 1.546 121.584 119.950 0.146 0.000 2.290 646 F HA 0.367 4.893 4.527 -0.002 0.000 0.282 646 F C 0.934 176.795 175.800 0.101 0.000 1.251 646 F CA -0.156 57.898 58.000 0.089 0.000 1.269 646 F CB 0.197 39.237 39.000 0.067 0.000 1.455 646 F HN 0.398 nan 8.300 nan 0.000 0.501 647 V N -0.032 120.071 119.914 0.316 0.000 2.841 647 V HA 0.200 4.319 4.120 -0.002 0.000 0.310 647 V C -1.022 175.137 176.094 0.108 0.000 1.090 647 V CA -1.049 61.420 62.300 0.281 0.000 0.930 647 V CB 1.929 33.884 31.823 0.221 0.000 1.014 647 V HN 0.555 nan 8.190 nan 0.000 0.425 648 D N 2.780 123.273 120.400 0.155 0.000 2.280 648 D HA 0.223 4.861 4.640 -0.002 0.000 0.236 648 D C 0.662 177.034 176.300 0.119 0.000 1.082 648 D CA -0.172 53.875 54.000 0.078 0.000 0.834 648 D CB 2.059 42.886 40.800 0.046 0.000 1.100 648 D HN 0.737 nan 8.370 nan 0.000 0.486 649 Q N 4.287 124.142 119.800 0.092 0.000 1.900 649 Q HA -0.264 4.075 4.340 -0.002 0.000 0.219 649 Q C 1.704 177.784 176.000 0.133 0.000 1.012 649 Q CA 1.725 57.627 55.803 0.164 0.000 0.876 649 Q CB 0.071 28.910 28.738 0.168 0.000 0.952 649 Q HN 0.477 nan 8.270 nan 0.000 0.419 650 K N 0.039 120.503 120.400 0.108 0.000 2.059 650 K HA -0.288 4.031 4.320 -0.002 0.000 0.212 650 K C 2.326 178.975 176.600 0.082 0.000 1.050 650 K CA 2.080 58.419 56.287 0.087 0.000 0.927 650 K CB -0.294 32.248 32.500 0.069 0.000 0.714 650 K HN 0.216 nan 8.250 nan 0.000 0.447 651 R N 0.493 121.046 120.500 0.088 0.000 2.159 651 R HA -0.151 4.188 4.340 -0.002 0.000 0.237 651 R C 2.150 178.532 176.300 0.137 0.000 1.131 651 R CA 1.485 57.645 56.100 0.099 0.000 0.982 651 R CB -0.202 30.146 30.300 0.081 0.000 0.868 651 R HN 0.317 nan 8.270 nan 0.000 0.453 652 L N -0.534 120.772 121.223 0.138 0.000 2.253 652 L HA 0.099 4.438 4.340 -0.002 0.000 0.205 652 L C 1.787 178.670 176.870 0.022 0.000 1.078 652 L CA 0.817 55.712 54.840 0.093 0.000 0.805 652 L CB -0.069 42.019 42.059 0.048 0.000 0.963 652 L HN 0.012 nan 8.230 nan 0.000 0.459 653 V N 0.671 120.594 119.914 0.015 0.000 2.220 653 V HA -0.403 3.716 4.120 -0.002 0.000 0.250 653 V C 2.489 178.612 176.094 0.049 0.000 1.053 653 V CA 2.518 64.828 62.300 0.016 0.000 1.019 653 V CB -1.038 30.818 31.823 0.056 0.000 0.646 653 V HN 0.527 nan 8.190 nan 0.000 0.455 654 E N 0.566 120.804 120.200 0.063 0.000 2.065 654 E HA -0.288 4.061 4.350 -0.002 0.000 0.201 654 E C 2.210 178.865 176.600 0.092 0.000 1.016 654 E CA 1.523 57.964 56.400 0.068 0.000 0.818 654 E CB -0.522 29.214 29.700 0.060 0.000 0.749 654 E HN 0.610 nan 8.360 nan 0.000 0.453 655 A N 0.314 123.195 122.820 0.102 0.000 2.139 655 A HA -0.185 4.134 4.320 -0.002 0.000 0.221 655 A C 1.995 179.700 177.584 0.201 0.000 1.159 655 A CA 1.474 53.591 52.037 0.134 0.000 0.662 655 A CB -0.363 18.705 19.000 0.113 0.000 0.796 655 A HN 0.208 nan 8.150 nan 0.000 0.463 656 M N -2.275 117.438 119.600 0.189 0.000 2.571 656 M HA 0.155 4.634 4.480 -0.002 0.000 0.259 656 M C 2.383 178.855 176.300 0.287 0.000 1.205 656 M CA 0.681 56.157 55.300 0.293 0.000 1.138 656 M CB 0.067 32.791 32.600 0.207 0.000 1.329 656 M HN 0.394 nan 8.290 nan 0.000 0.503 657 A N 2.060 124.980 122.820 0.166 0.000 1.884 657 A HA -0.137 4.182 4.320 -0.002 0.000 0.219 657 A C -0.457 177.166 177.584 0.064 0.000 1.197 657 A CA 1.835 53.936 52.037 0.106 0.000 0.637 657 A CB -2.089 16.950 19.000 0.065 0.000 0.827 657 A HN 0.329 nan 8.150 nan 0.000 0.450 658 P HA -0.091 nan 4.420 nan 0.000 0.230 658 P C 0.534 177.690 177.300 -0.240 0.000 1.158 658 P CA 0.899 63.928 63.100 -0.118 0.000 0.769 658 P CB -0.202 31.390 31.700 -0.181 0.000 0.807 659 Y N 0.486 120.744 120.300 -0.069 0.000 2.490 659 Y HA -0.018 4.531 4.550 -0.002 0.000 0.285 659 Y C 2.079 177.906 175.900 -0.121 0.000 1.117 659 Y CA 0.780 58.769 58.100 -0.185 0.000 1.262 659 Y CB -0.629 37.607 38.460 -0.374 0.000 1.043 659 Y HN -0.098 nan 8.280 nan 0.000 0.553 660 D N 0.027 120.510 120.400 0.139 0.000 2.221 660 D HA -0.165 4.474 4.640 -0.002 0.000 0.204 660 D C 2.137 178.485 176.300 0.081 0.000 0.982 660 D CA 1.269 55.360 54.000 0.151 0.000 0.857 660 D CB -0.248 40.633 40.800 0.135 0.000 0.934 660 D HN 0.350 nan 8.370 nan 0.000 0.475 661 A N 0.358 123.190 122.820 0.020 0.000 2.066 661 A HA -0.081 4.238 4.320 -0.002 0.000 0.218 661 A C 1.613 179.190 177.584 -0.011 0.000 1.157 661 A CA 0.644 52.679 52.037 -0.003 0.000 0.670 661 A CB -0.146 18.835 19.000 -0.032 0.000 0.804 661 A HN 0.037 nan 8.150 nan 0.000 0.453 662 K N 0.486 120.868 120.400 -0.030 0.000 3.165 662 K HA 0.320 4.639 4.320 -0.002 0.000 0.270 662 K C -1.040 175.557 176.600 -0.006 0.000 1.111 662 K CA 0.025 56.288 56.287 -0.039 0.000 1.216 662 K CB -0.345 32.107 32.500 -0.079 0.000 1.229 662 K HN 0.401 nan 8.250 nan 0.000 0.435 663 L N 1.183 122.428 121.223 0.037 0.000 2.333 663 L HA 0.238 4.577 4.340 -0.002 0.000 0.280 663 L C 0.427 177.337 176.870 0.068 0.000 1.004 663 L CA -0.835 54.054 54.840 0.082 0.000 0.820 663 L CB 1.788 43.948 42.059 0.169 0.000 1.247 663 L HN 0.151 nan 8.230 nan 0.000 0.416 664 S N 1.828 117.567 115.700 0.066 0.000 2.576 664 S HA 0.246 4.715 4.470 -0.002 0.000 0.276 664 S C -2.030 172.612 174.600 0.071 0.000 1.339 664 S CA -1.066 57.166 58.200 0.054 0.000 1.039 664 S CB 0.918 64.146 63.200 0.045 0.000 0.902 664 S HN 0.426 nan 8.310 nan 0.000 0.516 665 P HA 0.018 nan 4.420 nan 0.000 0.236 665 P C -0.060 177.271 177.300 0.051 0.000 1.172 665 P CA 0.734 63.861 63.100 0.044 0.000 0.759 665 P CB -0.168 31.546 31.700 0.024 0.000 0.843 666 D N -0.066 120.374 120.400 0.066 0.000 2.117 666 D HA -0.149 4.490 4.640 -0.002 0.000 0.198 666 D C 1.548 177.922 176.300 0.123 0.000 0.982 666 D CA 1.182 55.230 54.000 0.079 0.000 0.828 666 D CB -0.357 40.489 40.800 0.077 0.000 0.967 666 D HN 0.356 nan 8.370 nan 0.000 0.464 667 E N -0.146 120.163 120.200 0.182 0.000 2.415 667 E HA 0.086 4.435 4.350 -0.002 0.000 0.197 667 E C 1.602 178.361 176.600 0.266 0.000 1.007 667 E CA 0.105 56.727 56.400 0.370 0.000 0.890 667 E CB 0.316 30.280 29.700 0.441 0.000 0.891 667 E HN 0.040 nan 8.360 nan 0.000 0.496 668 K N 1.271 121.754 120.400 0.138 0.000 2.103 668 K HA -0.015 4.303 4.320 -0.002 0.000 0.204 668 K C 1.922 178.488 176.600 -0.055 0.000 1.052 668 K CA 0.686 56.994 56.287 0.034 0.000 0.945 668 K CB 0.051 32.574 32.500 0.039 0.000 0.722 668 K HN 0.006 nan 8.250 nan 0.000 0.443 669 K N 0.836 121.223 120.400 -0.021 0.000 2.025 669 K HA -0.064 4.255 4.320 -0.002 0.000 0.207 669 K C 1.668 178.227 176.600 -0.068 0.000 1.049 669 K CA 0.989 57.255 56.287 -0.036 0.000 0.933 669 K CB 0.005 32.506 32.500 0.002 0.000 0.714 669 K HN -0.017 nan 8.250 nan 0.000 0.438 670 R N 0.774 121.250 120.500 -0.041 0.000 2.526 670 R HA -0.035 4.304 4.340 -0.002 0.000 0.223 670 R C 0.713 176.778 176.300 -0.392 0.000 1.250 670 R CA 0.228 56.293 56.100 -0.058 0.000 1.227 670 R CB -0.085 30.282 30.300 0.112 0.000 1.109 670 R HN 0.157 nan 8.270 nan 0.000 0.499 671 N N -1.546 116.855 118.700 -0.498 0.000 2.149 671 N HA 0.045 4.783 4.740 -0.002 0.000 0.229 671 N C -0.324 174.882 175.510 -0.508 0.000 1.284 671 N CA 0.037 52.615 53.050 -0.787 0.000 0.864 671 N CB 0.685 38.542 38.487 -1.050 0.000 1.169 671 N HN -0.113 nan 8.380 nan 0.000 0.478 672 S N 0.167 115.654 115.700 -0.355 0.000 2.612 672 S HA 0.230 4.698 4.470 -0.002 0.000 0.253 672 S C -0.432 173.993 174.600 -0.292 0.000 1.346 672 S CA 0.104 58.092 58.200 -0.352 0.000 0.976 672 S CB 0.133 63.226 63.200 -0.178 0.000 0.949 672 S HN 0.121 nan 8.310 nan 0.000 0.584 673 F N 0.417 120.318 119.950 -0.082 0.000 2.422 673 F HA 0.614 5.140 4.527 -0.002 0.000 0.333 673 F C 0.971 176.718 175.800 -0.089 0.000 1.095 673 F CA -1.127 56.828 58.000 -0.075 0.000 1.038 673 F CB 0.675 39.632 39.000 -0.072 0.000 1.156 673 F HN 0.609 nan 8.300 nan 0.000 0.483 674 G N 0.028 108.898 108.800 0.117 0.000 2.613 674 G HA2 0.580 4.539 3.960 -0.002 0.000 0.303 674 G HA3 0.580 4.539 3.960 -0.002 0.000 0.303 674 G C -0.607 174.234 174.900 -0.098 0.000 1.312 674 G CA -0.548 44.543 45.100 -0.015 0.000 1.036 674 G HN 0.701 nan 8.290 nan 0.000 0.513 675 T N -1.835 112.599 114.554 -0.200 0.000 2.948 675 T HA 0.471 4.820 4.350 -0.002 0.000 0.285 675 T C -0.630 174.001 174.700 -0.115 0.000 1.019 675 T CA -0.719 61.172 62.100 -0.348 0.000 1.013 675 T CB 1.815 70.089 68.868 -0.990 0.000 1.117 675 T HN 0.246 nan 8.240 nan 0.000 0.533 676 D N 0.972 121.382 120.400 0.016 0.000 2.372 676 D HA 0.365 5.004 4.640 -0.002 0.000 0.243 676 D C -0.394 176.028 176.300 0.203 0.000 1.121 676 D CA 0.102 54.172 54.000 0.116 0.000 0.898 676 D CB 0.720 41.632 40.800 0.187 0.000 1.202 676 D HN 0.446 nan 8.370 nan 0.000 0.428 677 L N 2.731 124.025 121.223 0.119 0.000 2.381 677 L HA 0.473 4.812 4.340 -0.002 0.000 0.274 677 L C -0.027 176.791 176.870 -0.088 0.000 0.988 677 L CA -0.750 54.096 54.840 0.011 0.000 0.824 677 L CB 2.242 44.252 42.059 -0.082 0.000 1.263 677 L HN 0.210 nan 8.230 nan 0.000 0.410 678 I N 1.881 122.362 120.570 -0.148 0.000 2.488 678 I HA 0.420 4.589 4.170 -0.002 0.000 0.299 678 I C -1.215 174.704 176.117 -0.330 0.000 0.984 678 I CA -0.365 60.883 61.300 -0.087 0.000 1.250 678 I CB 1.437 39.445 38.000 0.012 0.000 1.389 678 I HN 0.370 nan 8.210 nan 0.000 0.488 679 F N 7.324 127.277 119.950 0.006 0.000 2.434 679 F HA 0.461 4.987 4.527 -0.002 0.000 0.355 679 F C -0.248 175.546 175.800 -0.011 0.000 1.115 679 F CA -0.450 57.518 58.000 -0.054 0.000 1.010 679 F CB 0.988 39.903 39.000 -0.142 0.000 1.234 679 F HN 0.126 nan 8.300 nan 0.000 0.439 680 I N 3.171 123.816 120.570 0.124 0.000 2.488 680 I HA 0.248 4.417 4.170 -0.002 0.000 0.299 680 I C -0.415 175.807 176.117 0.175 0.000 0.984 680 I CA -0.685 60.694 61.300 0.132 0.000 1.250 680 I CB 0.850 38.897 38.000 0.079 0.000 1.389 680 I HN 0.369 nan 8.210 nan 0.000 0.488 681 F N 6.386 126.357 119.950 0.035 0.000 2.424 681 F HA 0.399 4.925 4.527 -0.002 0.000 0.356 681 F C -0.036 175.784 175.800 0.034 0.000 1.110 681 F CA -0.265 57.749 58.000 0.022 0.000 1.161 681 F CB 0.278 39.285 39.000 0.012 0.000 1.115 681 F HN 0.449 nan 8.300 nan 0.000 0.507 682 N N 8.660 127.015 118.700 -0.575 0.000 2.410 682 N HA 0.310 5.049 4.740 -0.002 0.000 0.287 682 N C -2.299 172.799 175.510 -0.688 0.000 1.044 682 N CA -2.020 50.700 53.050 -0.549 0.000 0.881 682 N CB 2.611 40.979 38.487 -0.198 0.000 1.405 682 N HN 0.218 nan 8.380 nan 0.000 0.490 683 P HA -0.206 nan 4.420 nan 0.000 0.214 683 P C 0.783 177.990 177.300 -0.155 0.000 1.169 683 P CA 1.714 64.619 63.100 -0.324 0.000 0.908 683 P CB 0.489 32.094 31.700 -0.157 0.000 0.791 684 Q N -0.507 119.227 119.800 -0.110 0.000 2.167 684 Q HA -0.026 4.313 4.340 -0.002 0.000 0.202 684 Q C 0.681 176.664 176.000 -0.027 0.000 0.970 684 Q CA 0.439 56.215 55.803 -0.046 0.000 0.855 684 Q CB -0.887 27.832 28.738 -0.031 0.000 0.911 684 Q HN 0.074 nan 8.270 nan 0.000 0.438 685 V N 2.677 122.564 119.914 -0.046 0.000 2.416 685 V HA -0.076 4.043 4.120 -0.002 0.000 0.267 685 V C 0.327 176.445 176.094 0.041 0.000 1.007 685 V CA 0.747 63.053 62.300 0.009 0.000 1.102 685 V CB 0.108 31.953 31.823 0.037 0.000 1.035 685 V HN 0.215 nan 8.190 nan 0.000 0.473 686 D N 2.916 123.348 120.400 0.053 0.000 2.696 686 D HA 0.106 4.745 4.640 -0.002 0.000 0.269 686 D C 1.121 177.477 176.300 0.092 0.000 1.319 686 D CA 0.200 54.248 54.000 0.080 0.000 0.826 686 D CB 0.550 41.408 40.800 0.096 0.000 1.086 686 D HN 0.682 nan 8.370 nan 0.000 0.481 687 T N -2.652 111.945 114.554 0.071 0.000 3.768 687 T HA 0.387 4.736 4.350 -0.002 0.000 0.372 687 T C 0.426 175.146 174.700 0.034 0.000 1.243 687 T CA -0.269 61.839 62.100 0.012 0.000 0.944 687 T CB 0.675 69.486 68.868 -0.094 0.000 1.883 687 T HN -0.182 nan 8.240 nan 0.000 0.541 688 V N 0.868 120.755 119.914 -0.044 0.000 2.567 688 V HA 0.420 4.539 4.120 -0.002 0.000 0.298 688 V C -1.384 174.673 176.094 -0.062 0.000 1.047 688 V CA -1.057 61.251 62.300 0.013 0.000 0.880 688 V CB 1.173 33.010 31.823 0.023 0.000 1.009 688 V HN 0.860 nan 8.190 nan 0.000 0.429 689 Y N 3.660 123.920 120.300 -0.067 0.000 2.419 689 Y HA 0.703 5.252 4.550 -0.002 0.000 0.328 689 Y C 0.125 176.059 175.900 0.057 0.000 1.162 689 Y CA -0.595 57.477 58.100 -0.047 0.000 1.174 689 Y CB 1.779 40.312 38.460 0.120 0.000 1.228 689 Y HN 0.613 nan 8.280 nan 0.000 0.473 690 K N 3.014 123.519 120.400 0.175 0.000 2.450 690 K HA 0.214 4.533 4.320 -0.002 0.000 0.257 690 K C -0.695 175.958 176.600 0.089 0.000 0.953 690 K CA -0.560 55.764 56.287 0.062 0.000 0.844 690 K CB 1.385 33.808 32.500 -0.128 0.000 1.103 690 K HN 0.637 nan 8.250 nan 0.000 0.429 691 T N 4.584 119.132 114.554 -0.010 0.000 2.923 691 T HA 0.059 4.408 4.350 -0.002 0.000 0.304 691 T C -1.529 173.020 174.700 -0.252 0.000 1.044 691 T CA -0.669 61.232 62.100 -0.331 0.000 1.141 691 T CB 0.467 69.211 68.868 -0.207 0.000 1.023 691 T HN 0.597 nan 8.240 nan 0.000 0.533 692 P HA 0.336 nan 4.420 nan 0.000 0.275 692 P C -0.246 176.909 177.300 -0.242 0.000 1.310 692 P CA -0.024 62.938 63.100 -0.229 0.000 0.904 692 P CB 0.351 31.929 31.700 -0.203 0.000 1.381 693 L N -0.221 120.828 121.223 -0.290 0.000 2.341 693 L HA 0.729 5.068 4.340 -0.002 0.000 0.267 693 L C 0.443 177.310 176.870 -0.006 0.000 1.009 693 L CA -1.122 53.590 54.840 -0.214 0.000 0.819 693 L CB 2.006 43.774 42.059 -0.486 0.000 1.323 693 L HN -0.172 nan 8.230 nan 0.000 0.425 694 A N 0.853 123.713 122.820 0.067 0.000 2.239 694 A HA 0.858 5.177 4.320 -0.002 0.000 0.303 694 A C 0.694 178.401 177.584 0.206 0.000 1.114 694 A CA 0.370 52.472 52.037 0.109 0.000 0.871 694 A CB 0.525 19.566 19.000 0.068 0.000 1.201 694 A HN 1.051 nan 8.150 nan 0.000 0.506 695 G N -1.269 107.605 108.800 0.123 0.000 2.588 695 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.273 695 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.273 695 G C 0.773 175.697 174.900 0.041 0.000 1.211 695 G CA 0.593 45.744 45.100 0.084 0.000 0.958 695 G HN 1.093 nan 8.290 nan 0.000 0.543 696 L N 0.935 122.121 121.223 -0.063 0.000 2.341 696 L HA 0.362 4.701 4.340 -0.002 0.000 0.214 696 L C 1.052 177.817 176.870 -0.174 0.000 1.115 696 L CA 0.030 54.754 54.840 -0.193 0.000 0.820 696 L CB -0.142 41.706 42.059 -0.350 0.000 0.944 696 L HN 0.285 nan 8.230 nan 0.000 0.452 697 F N 0.907 120.911 119.950 0.090 0.000 2.504 697 F HA 0.104 4.630 4.527 -0.002 0.000 0.369 697 F C 0.727 176.589 175.800 0.103 0.000 1.082 697 F CA -0.196 57.902 58.000 0.164 0.000 1.216 697 F CB -0.013 39.108 39.000 0.202 0.000 1.108 697 F HN 0.040 nan 8.300 nan 0.000 0.554 698 N N 1.357 120.239 118.700 0.302 0.000 2.619 698 N HA 0.258 4.996 4.740 -0.002 0.000 0.294 698 N C -1.081 174.574 175.510 0.242 0.000 1.279 698 N CA -0.847 52.319 53.050 0.194 0.000 0.867 698 N CB 0.684 39.251 38.487 0.134 0.000 1.329 698 N HN 0.384 nan 8.380 nan 0.000 0.557 699 D N 0.689 121.195 120.400 0.175 0.000 2.399 699 D HA 0.151 4.790 4.640 -0.002 0.000 0.241 699 D C 0.314 176.765 176.300 0.252 0.000 1.133 699 D CA 0.203 54.330 54.000 0.212 0.000 0.890 699 D CB 0.882 41.764 40.800 0.137 0.000 1.201 699 D HN 0.316 nan 8.370 nan 0.000 0.432 700 I N 3.302 124.067 120.570 0.325 0.000 2.483 700 I HA -0.065 4.104 4.170 -0.002 0.000 0.291 700 I C 1.553 177.788 176.117 0.197 0.000 1.112 700 I CA -0.213 61.229 61.300 0.237 0.000 1.350 700 I CB 0.154 38.319 38.000 0.275 0.000 1.419 700 I HN 0.089 nan 8.210 nan 0.000 0.523 701 E N 5.316 125.591 120.200 0.126 0.000 3.271 701 E HA -0.173 4.176 4.350 -0.002 0.000 0.332 701 E C 1.619 178.288 176.600 0.114 0.000 1.505 701 E CA 0.280 56.754 56.400 0.123 0.000 1.676 701 E CB -0.082 29.693 29.700 0.126 0.000 1.053 701 E HN 0.677 nan 8.360 nan 0.000 0.687 702 H N 0.646 119.768 119.070 0.087 0.000 2.492 702 H HA -0.150 4.405 4.556 -0.002 0.000 0.296 702 H C 1.384 176.773 175.328 0.102 0.000 1.095 702 H CA 1.821 57.916 56.048 0.079 0.000 1.281 702 H CB -0.338 29.457 29.762 0.056 0.000 1.374 702 H HN 0.478 nan 8.280 nan 0.000 0.545 703 N N 0.167 118.535 118.700 -0.553 0.000 2.258 703 N HA -0.192 4.547 4.740 -0.002 0.000 0.187 703 N C 0.766 176.212 175.510 -0.105 0.000 1.012 703 N CA 0.182 52.964 53.050 -0.447 0.000 0.870 703 N CB -0.182 38.158 38.487 -0.246 0.000 0.977 703 N HN 0.321 nan 8.380 nan 0.000 0.434 704 H N 0.031 119.058 119.070 -0.072 0.000 3.034 704 H HA -0.005 4.549 4.556 -0.002 0.000 0.324 704 H C -0.171 175.181 175.328 0.039 0.000 1.015 704 H CA 0.629 56.690 56.048 0.023 0.000 1.429 704 H CB 0.543 30.357 29.762 0.087 0.000 1.429 704 H HN 0.226 nan 8.280 nan 0.000 0.585 705 C N 6.744 126.095 119.300 0.084 0.000 3.626 705 C HA 0.239 4.698 4.460 -0.002 0.000 0.276 705 C C -0.094 174.958 174.990 0.104 0.000 1.694 705 C CA -0.627 58.446 59.018 0.091 0.000 1.785 705 C CB -0.876 26.814 27.740 -0.083 0.000 3.152 705 C HN 0.485 nan 8.230 nan 0.000 0.571 706 I N 1.979 122.690 120.570 0.235 0.000 2.676 706 I HA 0.671 4.839 4.170 -0.002 0.000 0.309 706 I C -0.393 176.020 176.117 0.492 0.000 0.990 706 I CA -1.215 60.247 61.300 0.271 0.000 1.168 706 I CB 0.589 38.566 38.000 -0.037 0.000 1.343 706 I HN 0.214 nan 8.210 nan 0.000 0.482 707 E N 2.555 122.913 120.200 0.265 0.000 2.304 707 E HA 0.519 4.868 4.350 -0.002 0.000 0.277 707 E C -1.234 175.421 176.600 0.092 0.000 0.898 707 E CA -0.828 55.749 56.400 0.295 0.000 0.764 707 E CB 1.095 30.905 29.700 0.183 0.000 1.216 707 E HN 0.334 nan 8.360 nan 0.000 0.419 708 R N 1.932 122.479 120.500 0.078 0.000 2.401 708 R HA 0.422 4.761 4.340 -0.002 0.000 0.299 708 R C -0.239 176.010 176.300 -0.086 0.000 1.064 708 R CA -0.194 55.773 56.100 -0.223 0.000 1.000 708 R CB 0.337 30.519 30.300 -0.197 0.000 0.973 708 R HN 0.534 nan 8.270 nan 0.000 0.438 709 E N 1.491 121.622 120.200 -0.114 0.000 2.370 709 E HA 0.351 4.699 4.350 -0.002 0.000 0.259 709 E C -1.339 175.279 176.600 0.030 0.000 0.947 709 E CA -0.864 55.528 56.400 -0.013 0.000 0.809 709 E CB 1.274 30.973 29.700 -0.001 0.000 1.300 709 E HN 0.457 nan 8.360 nan 0.000 0.419 710 F N 1.622 121.539 119.950 -0.055 0.000 2.399 710 F HA 0.453 4.979 4.527 -0.002 0.000 0.334 710 F C -0.389 175.405 175.800 -0.010 0.000 1.097 710 F CA -0.990 56.989 58.000 -0.035 0.000 1.076 710 F CB 0.627 39.622 39.000 -0.008 0.000 1.162 710 F HN 0.234 nan 8.300 nan 0.000 0.495 711 I N 7.798 128.482 120.570 0.190 0.000 2.441 711 I HA 0.219 4.388 4.170 -0.002 0.000 0.287 711 I C -1.758 174.196 176.117 -0.272 0.000 1.049 711 I CA -2.092 59.193 61.300 -0.025 0.000 1.381 711 I CB 1.222 39.303 38.000 0.136 0.000 1.409 711 I HN 0.641 nan 8.210 nan 0.000 0.523 712 P HA -0.096 nan 4.420 nan 0.000 0.259 712 P C 0.088 177.372 177.300 -0.026 0.000 1.353 712 P CA 0.894 63.871 63.100 -0.205 0.000 0.727 712 P CB 0.409 32.031 31.700 -0.130 0.000 1.300 713 E N -4.060 116.126 120.200 -0.023 0.000 1.070 713 E HA -0.115 4.234 4.350 -0.002 0.000 0.203 713 E C 0.289 176.849 176.600 -0.066 0.000 0.978 713 E CA 0.976 57.359 56.400 -0.029 0.000 0.828 713 E CB -1.439 28.266 29.700 0.008 0.000 4.933 713 E HN 0.215 nan 8.360 nan 0.000 0.563 714 S N -0.472 115.192 115.700 -0.060 0.000 3.350 714 S HA -0.365 4.104 4.470 -0.002 0.000 0.341 714 S C 0.410 174.967 174.600 -0.071 0.000 1.176 714 S CA 1.604 59.768 58.200 -0.061 0.000 0.972 714 S CB -2.289 60.880 63.200 -0.052 0.000 0.953 714 S HN 0.546 nan 8.310 nan 0.000 0.565 715 M N 0.932 120.484 119.600 -0.079 0.000 2.114 715 M HA 0.646 5.124 4.480 -0.002 0.000 0.293 715 M C 0.729 176.979 176.300 -0.084 0.000 1.201 715 M CA 0.779 56.017 55.300 -0.103 0.000 1.107 715 M CB 0.700 33.225 32.600 -0.124 0.000 1.405 715 M HN 0.513 nan 8.290 nan 0.000 0.486 716 E N -0.293 119.847 120.200 -0.100 0.000 0.626 716 E HA 0.057 4.406 4.350 -0.002 0.000 0.131 716 E C -0.943 175.599 176.600 -0.097 0.000 2.466 716 E CA -0.463 55.889 56.400 -0.080 0.000 1.457 716 E CB 0.126 29.792 29.700 -0.056 0.000 0.705 716 E HN 0.663 nan 8.360 nan 0.000 0.881 717 N N 0.768 119.423 118.700 -0.077 0.000 2.991 717 N HA 0.133 4.872 4.740 -0.002 0.000 0.324 717 N C -1.255 174.198 175.510 -0.095 0.000 1.208 717 N CA 0.433 53.438 53.050 -0.075 0.000 1.190 717 N CB -0.122 38.334 38.487 -0.052 0.000 1.443 717 N HN 0.064 nan 8.380 nan 0.000 0.542 718 V N 0.784 120.613 119.914 -0.141 0.000 2.733 718 V HA 0.298 4.417 4.120 -0.002 0.000 0.306 718 V C -0.139 175.798 176.094 -0.262 0.000 1.084 718 V CA -1.119 61.075 62.300 -0.176 0.000 0.905 718 V CB 2.231 33.940 31.823 -0.190 0.000 1.010 718 V HN 0.294 nan 8.190 nan 0.000 0.424 719 K N 2.946 123.216 120.400 -0.217 0.000 2.123 719 K HA 0.740 5.059 4.320 -0.002 0.000 0.248 719 K C -0.588 175.835 176.600 -0.295 0.000 0.969 719 K CA -0.685 55.451 56.287 -0.251 0.000 0.882 719 K CB 1.166 33.628 32.500 -0.063 0.000 1.080 719 K HN 0.308 nan 8.250 nan 0.000 0.441 720 F N 0.920 120.807 119.950 -0.105 0.000 2.595 720 F HA -0.025 4.500 4.527 -0.002 0.000 0.359 720 F C 0.540 176.206 175.800 -0.224 0.000 1.147 720 F CA -0.620 57.230 58.000 -0.251 0.000 1.341 720 F CB 0.246 39.013 39.000 -0.388 0.000 1.104 720 F HN 0.342 nan 8.300 nan 0.000 0.603 721 L N 4.711 125.851 121.223 -0.138 0.000 2.265 721 L HA 0.488 4.827 4.340 -0.002 0.000 0.289 721 L C -1.343 175.370 176.870 -0.262 0.000 1.033 721 L CA -0.357 54.413 54.840 -0.116 0.000 0.814 721 L CB -0.180 41.815 42.059 -0.107 0.000 1.203 721 L HN 0.298 nan 8.230 nan 0.000 0.423 722 F N 4.427 124.353 119.950 -0.039 0.000 2.443 722 F HA 0.802 5.328 4.527 -0.002 0.000 0.335 722 F C 1.122 176.814 175.800 -0.180 0.000 1.104 722 F CA 0.310 58.245 58.000 -0.109 0.000 1.013 722 F CB 1.438 40.368 39.000 -0.117 0.000 1.136 722 F HN 0.888 nan 8.300 nan 0.000 0.470 723 G N 1.966 110.680 108.800 -0.143 0.000 2.725 723 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.220 723 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.220 723 G C -0.886 174.024 174.900 0.017 0.000 1.357 723 G CA -1.166 43.794 45.100 -0.233 0.000 0.866 723 G HN 0.714 nan 8.290 nan 0.000 0.548 724 L N 1.556 122.821 121.223 0.071 0.000 2.499 724 L HA 0.251 4.589 4.340 -0.002 0.000 0.273 724 L C -1.366 175.559 176.870 0.092 0.000 1.195 724 L CA -1.100 53.808 54.840 0.113 0.000 0.882 724 L CB 0.101 42.219 42.059 0.098 0.000 1.133 724 L HN 0.368 nan 8.230 nan 0.000 0.483 725 P HA -0.003 nan 4.420 nan 0.000 0.269 725 P C -0.564 176.784 177.300 0.081 0.000 1.217 725 P CA -0.205 62.970 63.100 0.126 0.000 0.783 725 P CB 0.449 32.264 31.700 0.193 0.000 0.898 726 K N 1.328 121.767 120.400 0.065 0.000 2.412 726 K HA 0.240 4.558 4.320 -0.002 0.000 0.281 726 K C 1.063 177.681 176.600 0.031 0.000 1.027 726 K CA 0.861 57.172 56.287 0.040 0.000 0.989 726 K CB -0.415 32.104 32.500 0.031 0.000 0.935 726 K HN 0.757 nan 8.250 nan 0.000 0.475 727 G N 2.187 110.998 108.800 0.019 0.000 2.179 727 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.257 727 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.257 727 G C 0.122 175.027 174.900 0.008 0.000 1.010 727 G CA 0.306 45.410 45.100 0.007 0.000 0.736 727 G HN 0.840 nan 8.290 nan 0.000 0.513 728 A N 0.493 123.329 122.820 0.027 0.000 2.515 728 A HA 0.509 4.828 4.320 -0.002 0.000 0.263 728 A C 0.995 178.594 177.584 0.025 0.000 1.096 728 A CA 0.751 52.814 52.037 0.042 0.000 0.769 728 A CB 0.122 19.172 19.000 0.084 0.000 1.040 728 A HN 0.972 nan 8.150 nan 0.000 0.505 729 K N 2.288 122.709 120.400 0.034 0.000 2.326 729 K HA 0.526 4.845 4.320 -0.002 0.000 0.275 729 K C -0.347 176.265 176.600 0.020 0.000 1.018 729 K CA -0.309 55.992 56.287 0.024 0.000 0.962 729 K CB 0.378 32.895 32.500 0.029 0.000 0.953 729 K HN 0.685 nan 8.250 nan 0.000 0.475 730 L N -1.945 119.202 121.223 -0.126 0.000 2.485 730 L HA 0.710 5.048 4.340 -0.002 0.000 0.245 730 L C 0.488 177.195 176.870 -0.272 0.000 1.137 730 L CA -0.422 54.170 54.840 -0.413 0.000 0.954 730 L CB 0.578 42.242 42.059 -0.659 0.000 1.560 730 L HN 0.817 nan 8.230 nan 0.000 0.403 731 G N 0.071 108.680 108.800 -0.319 0.000 2.627 731 G HA2 -0.215 3.743 3.960 -0.002 0.000 0.312 731 G HA3 -0.215 3.743 3.960 -0.002 0.000 0.312 731 G C 0.859 175.706 174.900 -0.087 0.000 1.299 731 G CA 1.414 46.420 45.100 -0.156 0.000 0.989 731 G HN 1.934 nan 8.290 nan 0.000 0.547 732 A N -0.843 121.933 122.820 -0.073 0.000 2.259 732 A HA 0.383 4.701 4.320 -0.002 0.000 0.212 732 A C 2.265 179.818 177.584 -0.051 0.000 1.178 732 A CA 2.346 54.349 52.037 -0.056 0.000 0.734 732 A CB -0.288 18.682 19.000 -0.049 0.000 0.774 732 A HN 1.171 nan 8.150 nan 0.000 0.481 733 S N -0.263 115.409 115.700 -0.046 0.000 2.559 733 S HA 0.152 4.621 4.470 -0.002 0.000 0.226 733 S C 0.612 175.225 174.600 0.021 0.000 1.000 733 S CA -0.258 57.927 58.200 -0.025 0.000 0.948 733 S CB 0.099 63.280 63.200 -0.032 0.000 0.870 733 S HN 0.525 nan 8.310 nan 0.000 0.497 734 S N 2.606 118.332 115.700 0.045 0.000 2.554 734 S HA 0.082 4.550 4.470 -0.002 0.000 0.290 734 S C 0.235 174.965 174.600 0.217 0.000 1.309 734 S CA -0.284 58.023 58.200 0.178 0.000 1.047 734 S CB 0.095 63.363 63.200 0.112 0.000 0.828 734 S HN 0.213 nan 8.310 nan 0.000 0.509 735 L N 1.925 123.361 121.223 0.355 0.000 2.536 735 L HA 0.075 4.414 4.340 -0.002 0.000 0.294 735 L C 1.012 178.012 176.870 0.217 0.000 1.257 735 L CA 0.316 55.226 54.840 0.116 0.000 0.850 735 L CB -0.759 41.215 42.059 -0.142 0.000 1.105 735 L HN 0.859 nan 8.230 nan 0.000 0.517 736 A N 2.365 125.257 122.820 0.119 0.000 2.567 736 A HA 0.418 4.737 4.320 -0.002 0.000 0.240 736 A C 1.246 178.919 177.584 0.149 0.000 1.053 736 A CA 0.688 52.785 52.037 0.100 0.000 0.755 736 A CB -0.538 18.485 19.000 0.038 0.000 0.978 736 A HN 1.428 nan 8.150 nan 0.000 0.507 737 G N 1.230 110.071 108.800 0.069 0.000 2.307 737 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.210 737 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.210 737 G C -0.007 174.732 174.900 -0.269 0.000 1.005 737 G CA -0.027 45.003 45.100 -0.117 0.000 0.634 737 G HN 0.696 nan 8.290 nan 0.000 0.496 738 F N 3.842 123.751 119.950 -0.069 0.000 2.404 738 F HA 0.574 5.100 4.527 -0.002 0.000 0.345 738 F C -1.259 174.350 175.800 -0.319 0.000 1.110 738 F CA -2.181 55.745 58.000 -0.125 0.000 1.130 738 F CB 1.290 40.258 39.000 -0.052 0.000 1.129 738 F HN -0.080 nan 8.300 nan 0.000 0.500 739 P HA 0.308 nan 4.420 nan 0.000 0.276 739 P C -0.919 176.062 177.300 -0.532 0.000 1.252 739 P CA -0.450 62.149 63.100 -0.835 0.000 0.802 739 P CB 1.818 32.323 31.700 -1.992 0.000 1.035 740 S N 0.061 115.440 115.700 -0.535 0.000 2.537 740 S HA 0.349 4.818 4.470 -0.002 0.000 0.271 740 S C 0.297 174.641 174.600 -0.427 0.000 1.148 740 S CA -0.730 57.250 58.200 -0.367 0.000 0.868 740 S CB 0.402 63.491 63.200 -0.184 0.000 1.115 740 S HN 0.223 nan 8.310 nan 0.000 0.461 741 L N 3.105 124.145 121.223 -0.304 0.000 2.529 741 L HA 0.329 4.668 4.340 -0.002 0.000 0.223 741 L C 1.905 178.857 176.870 0.136 0.000 1.113 741 L CA 0.004 54.798 54.840 -0.078 0.000 0.861 741 L CB -0.185 41.787 42.059 -0.145 0.000 1.012 741 L HN 0.543 nan 8.230 nan 0.000 0.461 742 K N 0.395 120.793 120.400 -0.003 0.000 2.525 742 K HA 0.004 4.323 4.320 -0.002 0.000 0.192 742 K C 1.573 178.198 176.600 0.041 0.000 1.029 742 K CA 1.023 57.309 56.287 -0.002 0.000 1.029 742 K CB -0.156 32.305 32.500 -0.065 0.000 0.814 742 K HN 0.377 nan 8.250 nan 0.000 0.503 743 T N -1.307 113.327 114.554 0.132 0.000 3.188 743 T HA 0.249 4.598 4.350 -0.002 0.000 0.250 743 T C 0.195 174.937 174.700 0.070 0.000 1.077 743 T CA -0.246 61.914 62.100 0.101 0.000 0.967 743 T CB -0.055 68.888 68.868 0.126 0.000 1.006 743 T HN -0.125 nan 8.240 nan 0.000 0.552 744 L N 1.823 123.067 121.223 0.036 0.000 2.549 744 L HA 0.527 4.866 4.340 -0.002 0.000 0.259 744 L C -2.669 174.112 176.870 -0.148 0.000 0.934 744 L CA -1.910 52.836 54.840 -0.157 0.000 0.865 744 L CB 2.448 44.214 42.059 -0.489 0.000 1.352 744 L HN -0.146 nan 8.230 nan 0.000 0.410 745 P HA 0.543 nan 4.420 nan 0.000 0.280 745 P C -1.375 175.835 177.300 -0.150 0.000 1.244 745 P CA -0.241 62.779 63.100 -0.132 0.000 0.784 745 P CB 1.283 32.904 31.700 -0.132 0.000 0.913 746 L N -0.356 120.810 121.223 -0.095 0.000 3.041 746 L HA 0.825 5.164 4.340 -0.002 0.000 0.278 746 L C -1.159 175.698 176.870 -0.022 0.000 1.051 746 L CA -0.557 54.241 54.840 -0.069 0.000 0.957 746 L CB 1.169 43.187 42.059 -0.068 0.000 1.538 746 L HN 0.189 nan 8.230 nan 0.000 0.393 747 T N 0.146 114.719 114.554 0.032 0.000 2.993 747 T HA 0.870 5.219 4.350 -0.002 0.000 0.312 747 T C -1.003 173.786 174.700 0.148 0.000 1.115 747 T CA 0.051 62.180 62.100 0.048 0.000 1.027 747 T CB 1.747 70.609 68.868 -0.010 0.000 1.116 747 T HN 1.044 nan 8.240 nan 0.000 0.464 748 A N 2.333 125.216 122.820 0.105 0.000 2.354 748 A HA 0.948 5.266 4.320 -0.002 0.000 0.321 748 A C -0.670 176.994 177.584 0.134 0.000 1.125 748 A CA -0.530 51.584 52.037 0.129 0.000 0.799 748 A CB 1.404 20.440 19.000 0.059 0.000 1.293 748 A HN 0.723 nan 8.150 nan 0.000 0.452 749 E N 1.512 121.800 120.200 0.146 0.000 2.879 749 E HA 0.172 4.521 4.350 -0.002 0.000 0.345 749 E C -1.806 174.854 176.600 0.100 0.000 0.955 749 E CA -0.302 56.173 56.400 0.124 0.000 0.801 749 E CB 0.617 30.432 29.700 0.191 0.000 1.324 749 E HN 0.669 nan 8.360 nan 0.000 0.417 750 L N 2.588 123.841 121.223 0.051 0.000 2.499 750 L HA 0.516 4.854 4.340 -0.002 0.000 0.273 750 L C 0.311 177.176 176.870 -0.010 0.000 1.195 750 L CA 0.527 55.366 54.840 -0.002 0.000 0.882 750 L CB 0.651 42.690 42.059 -0.035 0.000 1.133 750 L HN 0.615 nan 8.230 nan 0.000 0.483 751 A N 2.933 125.718 122.820 -0.058 0.000 2.589 751 A HA 0.512 4.831 4.320 -0.002 0.000 0.296 751 A C -1.434 176.080 177.584 -0.116 0.000 1.062 751 A CA -0.651 51.370 52.037 -0.026 0.000 0.686 751 A CB 0.579 19.619 19.000 0.065 0.000 1.282 751 A HN 0.464 nan 8.150 nan 0.000 0.404 752 Y N 1.843 122.164 120.300 0.035 0.000 2.754 752 Y HA 0.081 4.629 4.550 -0.002 0.000 0.349 752 Y C 1.403 177.317 175.900 0.023 0.000 1.179 752 Y CA 1.073 59.191 58.100 0.030 0.000 1.538 752 Y CB 0.354 38.837 38.460 0.039 0.000 1.200 752 Y HN 0.828 nan 8.280 nan 0.000 0.522 753 N N 0.347 119.096 118.700 0.082 0.000 2.184 753 N HA -0.030 4.709 4.740 -0.002 0.000 0.206 753 N C 0.120 175.662 175.510 0.054 0.000 1.151 753 N CA 0.575 53.656 53.050 0.052 0.000 0.878 753 N CB 0.316 38.803 38.487 0.000 0.000 1.014 753 N HN 0.416 nan 8.380 nan 0.000 0.512 754 S N -0.649 115.100 115.700 0.082 0.000 3.521 754 S HA -0.207 4.262 4.470 -0.002 0.000 0.362 754 S C -0.136 174.486 174.600 0.036 0.000 1.044 754 S CA 0.564 58.810 58.200 0.076 0.000 1.091 754 S CB -2.465 60.783 63.200 0.080 0.000 0.908 754 S HN 0.358 nan 8.310 nan 0.000 0.473 755 S N 1.008 116.707 115.700 -0.002 0.000 2.596 755 S HA 0.175 4.644 4.470 -0.002 0.000 0.298 755 S C 0.655 175.220 174.600 -0.058 0.000 1.255 755 S CA -0.294 57.877 58.200 -0.047 0.000 1.083 755 S CB 0.530 63.671 63.200 -0.098 0.000 0.837 755 S HN 0.400 nan 8.310 nan 0.000 0.499 756 V N 6.098 125.973 119.914 -0.065 0.000 2.322 756 V HA 0.104 4.223 4.120 -0.002 0.000 0.258 756 V C 0.894 176.870 176.094 -0.197 0.000 1.074 756 V CA -0.123 62.131 62.300 -0.078 0.000 0.909 756 V CB 0.589 32.388 31.823 -0.040 0.000 1.090 756 V HN 0.837 nan 8.190 nan 0.000 0.486 757 V N 3.766 123.472 119.914 -0.347 0.000 2.949 757 V HA 0.092 4.211 4.120 -0.002 0.000 0.245 757 V C 1.156 176.734 176.094 -0.861 0.000 1.086 757 V CA 1.448 63.341 62.300 -0.677 0.000 1.097 757 V CB -0.225 31.001 31.823 -0.994 0.000 0.762 757 V HN 0.690 nan 8.190 nan 0.000 0.470 758 F N 0.449 120.275 119.950 -0.207 0.000 2.276 758 F HA 0.276 4.802 4.527 -0.002 0.000 0.213 758 F C 1.867 177.542 175.800 -0.208 0.000 1.098 758 F CA 0.520 58.395 58.000 -0.209 0.000 1.162 758 F CB -0.239 38.602 39.000 -0.266 0.000 1.511 758 F HN -0.096 nan 8.300 nan 0.000 0.540 759 N N -1.690 116.956 118.700 -0.090 0.000 2.557 759 N HA 0.217 4.956 4.740 -0.002 0.000 0.217 759 N C -0.664 174.618 175.510 -0.379 0.000 1.062 759 N CA -0.003 52.795 53.050 -0.420 0.000 0.863 759 N CB 0.560 38.501 38.487 -0.910 0.000 1.390 759 N HN 0.010 nan 8.380 nan 0.000 0.445 760 F N 1.410 121.435 119.950 0.126 0.000 2.507 760 F HA 0.495 5.021 4.527 -0.002 0.000 0.327 760 F C -2.141 173.716 175.800 0.096 0.000 1.068 760 F CA -2.740 55.321 58.000 0.100 0.000 0.965 760 F CB 1.330 40.395 39.000 0.108 0.000 1.192 760 F HN -0.254 nan 8.300 nan 0.000 0.476 761 P HA 0.006 nan 4.420 nan 0.000 0.271 761 P C -0.362 177.050 177.300 0.188 0.000 1.220 761 P CA -0.099 63.104 63.100 0.171 0.000 0.768 761 P CB 1.314 33.091 31.700 0.128 0.000 0.848 762 S N 2.926 118.719 115.700 0.155 0.000 2.563 762 S HA 0.019 4.488 4.470 -0.002 0.000 0.284 762 S C 0.965 175.665 174.600 0.167 0.000 1.331 762 S CA 0.016 58.318 58.200 0.169 0.000 1.047 762 S CB 0.074 63.336 63.200 0.103 0.000 0.859 762 S HN 0.367 nan 8.310 nan 0.000 0.514 763 K N 1.802 122.318 120.400 0.192 0.000 2.355 763 K HA 0.162 4.481 4.320 -0.002 0.000 0.198 763 K C 0.435 177.245 176.600 0.349 0.000 1.039 763 K CA -0.126 56.296 56.287 0.225 0.000 1.075 763 K CB 0.204 32.807 32.500 0.173 0.000 0.870 763 K HN 0.490 nan 8.250 nan 0.000 0.540 764 Q N 1.309 121.272 119.800 0.270 0.000 2.189 764 Q HA 0.145 4.484 4.340 -0.002 0.000 0.193 764 Q C -0.110 175.855 176.000 -0.058 0.000 1.034 764 Q CA -0.003 55.920 55.803 0.200 0.000 1.062 764 Q CB 0.719 29.555 28.738 0.163 0.000 1.118 764 Q HN 0.094 nan 8.270 nan 0.000 0.569 765 Q N -0.608 119.004 119.800 -0.314 0.000 2.180 765 Q HA 0.742 5.081 4.340 -0.002 0.000 0.241 765 Q C -0.832 174.976 176.000 -0.319 0.000 0.970 765 Q CA -0.757 54.774 55.803 -0.453 0.000 0.919 765 Q CB 1.474 29.849 28.738 -0.605 0.000 1.222 765 Q HN 0.352 nan 8.270 nan 0.000 0.482 766 S N 0.513 116.061 115.700 -0.252 0.000 2.569 766 S HA 0.421 4.890 4.470 -0.002 0.000 0.280 766 S C -1.004 173.535 174.600 -0.103 0.000 1.111 766 S CA -0.828 57.235 58.200 -0.228 0.000 0.887 766 S CB 1.430 64.528 63.200 -0.169 0.000 1.095 766 S HN 0.651 nan 8.310 nan 0.000 0.476 767 M N 3.442 123.043 119.600 0.001 0.000 2.264 767 M HA 0.335 4.813 4.480 -0.002 0.000 0.340 767 M C -1.211 175.196 176.300 0.179 0.000 1.420 767 M CA -0.180 55.227 55.300 0.177 0.000 1.254 767 M CB -0.488 32.391 32.600 0.465 0.000 1.575 767 M HN 0.394 nan 8.290 nan 0.000 0.452 768 V N 6.978 126.944 119.914 0.086 0.000 2.583 768 V HA 0.269 4.388 4.120 -0.002 0.000 0.287 768 V C 0.079 176.183 176.094 0.015 0.000 1.051 768 V CA -0.426 61.881 62.300 0.012 0.000 1.010 768 V CB 0.954 32.736 31.823 -0.068 0.000 0.988 768 V HN 0.675 nan 8.190 nan 0.000 0.478 769 L N 5.605 126.824 121.223 -0.007 0.000 2.298 769 L HA 0.488 4.827 4.340 -0.002 0.000 0.284 769 L C -0.220 176.599 176.870 -0.086 0.000 1.013 769 L CA -0.509 54.348 54.840 0.028 0.000 0.824 769 L CB 0.819 42.958 42.059 0.133 0.000 1.221 769 L HN 0.619 nan 8.230 nan 0.000 0.418 770 H N 5.079 124.149 119.070 0.000 0.000 2.690 770 H HA 0.344 4.898 4.556 -0.002 0.000 0.289 770 H C -0.124 175.153 175.328 -0.085 0.000 1.089 770 H CA -0.584 55.445 56.048 -0.032 0.000 1.299 770 H CB 1.593 31.339 29.762 -0.026 0.000 1.405 770 H HN 0.342 nan 8.280 nan 0.000 0.463 771 I N 3.676 124.213 120.570 -0.055 0.000 2.428 771 I HA 0.072 4.241 4.170 -0.002 0.000 0.289 771 I C 0.747 176.775 176.117 -0.148 0.000 1.019 771 I CA -0.476 60.719 61.300 -0.174 0.000 1.351 771 I CB 1.226 39.039 38.000 -0.310 0.000 1.412 771 I HN 0.480 nan 8.210 nan 0.000 0.513 772 Q N 3.480 123.174 119.800 -0.177 0.000 2.235 772 Q HA 0.422 4.760 4.340 -0.002 0.000 0.256 772 Q C -1.195 174.643 176.000 -0.271 0.000 0.951 772 Q CA -0.923 54.774 55.803 -0.178 0.000 0.890 772 Q CB 1.135 29.790 28.738 -0.139 0.000 1.279 772 Q HN 0.400 nan 8.270 nan 0.000 0.444 773 D N 1.790 121.994 120.400 -0.327 0.000 2.382 773 D HA 0.110 4.749 4.640 -0.002 0.000 0.259 773 D C -0.781 175.150 176.300 -0.615 0.000 1.224 773 D CA -0.153 53.473 54.000 -0.623 0.000 0.894 773 D CB 0.402 40.618 40.800 -0.973 0.000 1.127 773 D HN 0.258 nan 8.370 nan 0.000 0.487 774 L N 4.108 125.027 121.223 -0.507 0.000 2.699 774 L HA 0.087 4.426 4.340 -0.002 0.000 0.283 774 L C -0.449 176.304 176.870 -0.197 0.000 1.166 774 L CA 0.764 55.436 54.840 -0.281 0.000 1.043 774 L CB -1.485 40.475 42.059 -0.164 0.000 1.369 774 L HN 0.408 nan 8.230 nan 0.000 0.462 782 L N 3.045 124.192 121.223 -0.128 0.000 2.357 782 L HA 0.124 4.463 4.340 -0.002 0.000 0.220 782 L C 2.011 178.680 176.870 -0.334 0.000 1.123 782 L CA 2.606 57.324 54.840 -0.203 0.000 0.782 782 L CB -0.367 41.572 42.059 -0.200 0.000 0.910 782 L HN 0.572 nan 8.230 nan 0.000 0.442 783 S N -2.167 113.438 115.700 -0.158 0.000 2.483 783 S HA -0.053 4.416 4.470 -0.002 0.000 0.221 783 S C 1.631 176.204 174.600 -0.045 0.000 1.030 783 S CA 0.446 58.609 58.200 -0.063 0.000 0.925 783 S CB -0.244 63.042 63.200 0.143 0.000 0.795 783 S HN 0.540 nan 8.310 nan 0.000 0.511 784 D N 1.414 121.783 120.400 -0.052 0.000 2.123 784 D HA -0.020 4.618 4.640 -0.002 0.000 0.200 784 D C 1.978 178.237 176.300 -0.069 0.000 0.976 784 D CA 0.707 54.678 54.000 -0.048 0.000 0.831 784 D CB -0.180 40.597 40.800 -0.040 0.000 0.974 784 D HN 0.345 nan 8.370 nan 0.000 0.469 785 L N 1.204 122.389 121.223 -0.064 0.000 1.997 785 L HA -0.271 4.068 4.340 -0.002 0.000 0.216 785 L C 2.509 179.360 176.870 -0.031 0.000 1.074 785 L CA 1.671 56.498 54.840 -0.023 0.000 0.763 785 L CB -0.242 41.822 42.059 0.008 0.000 0.890 785 L HN -0.041 nan 8.230 nan 0.000 0.434 786 A N -0.664 122.102 122.820 -0.089 0.000 1.940 786 A HA -0.300 4.019 4.320 -0.002 0.000 0.219 786 A C 2.295 179.867 177.584 -0.020 0.000 1.176 786 A CA 2.151 54.156 52.037 -0.054 0.000 0.631 786 A CB -0.480 18.464 19.000 -0.094 0.000 0.814 786 A HN 0.434 nan 8.150 nan 0.000 0.446 787 K N -0.838 119.539 120.400 -0.039 0.000 2.057 787 K HA -0.105 4.214 4.320 -0.002 0.000 0.206 787 K C 2.325 178.870 176.600 -0.092 0.000 1.050 787 K CA 1.382 57.643 56.287 -0.043 0.000 0.935 787 K CB -0.129 32.350 32.500 -0.036 0.000 0.715 787 K HN 0.424 nan 8.250 nan 0.000 0.439 788 R N -0.634 119.759 120.500 -0.179 0.000 2.070 788 R HA -0.109 4.230 4.340 -0.002 0.000 0.233 788 R C 1.750 177.795 176.300 -0.424 0.000 1.137 788 R CA 1.772 57.647 56.100 -0.375 0.000 0.945 788 R CB 0.013 29.962 30.300 -0.585 0.000 0.845 788 R HN 0.355 nan 8.270 nan 0.000 0.430 789 H N -1.712 117.356 119.070 -0.003 0.000 2.750 789 H HA 0.111 4.666 4.556 -0.002 0.000 0.263 789 H C 0.130 175.451 175.328 -0.012 0.000 0.964 789 H CA -0.187 55.861 56.048 -0.001 0.000 1.205 789 H CB 0.084 29.848 29.762 0.004 0.000 1.454 789 H HN 0.126 nan 8.280 nan 0.000 0.503 790 M N 0.826 120.472 119.600 0.076 0.000 2.248 790 M HA 0.104 4.583 4.480 -0.002 0.000 0.343 790 M C 1.325 177.629 176.300 0.007 0.000 1.243 790 M CA 1.171 56.493 55.300 0.036 0.000 1.025 790 M CB 0.164 32.779 32.600 0.025 0.000 1.759 790 M HN 0.556 nan 8.290 nan 0.000 0.452 791 G N 2.830 111.613 108.800 -0.029 0.000 2.175 791 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.265 791 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.265 791 G C 0.168 175.033 174.900 -0.059 0.000 0.979 791 G CA 0.828 45.886 45.100 -0.071 0.000 0.663 791 G HN 0.633 nan 8.290 nan 0.000 0.533 792 K N -0.601 119.795 120.400 -0.007 0.000 2.281 792 K HA 0.649 4.968 4.320 -0.002 0.000 0.242 792 K C 0.244 176.866 176.600 0.036 0.000 0.971 792 K CA -1.303 55.007 56.287 0.038 0.000 0.834 792 K CB 1.167 33.722 32.500 0.093 0.000 1.181 792 K HN -0.036 nan 8.250 nan 0.000 0.435 793 I N 3.317 123.916 120.570 0.050 0.000 2.587 793 I HA 0.006 4.175 4.170 -0.002 0.000 0.284 793 I C 0.174 176.258 176.117 -0.056 0.000 1.134 793 I CA 0.191 61.484 61.300 -0.011 0.000 1.410 793 I CB -0.042 37.942 38.000 -0.026 0.000 1.392 793 I HN 0.334 nan 8.210 nan 0.000 0.545 794 V N 5.818 125.652 119.914 -0.133 0.000 3.113 794 V HA 0.572 4.691 4.120 -0.002 0.000 0.316 794 V C -1.146 174.795 176.094 -0.255 0.000 1.125 794 V CA -0.958 61.258 62.300 -0.141 0.000 1.026 794 V CB 1.998 33.729 31.823 -0.152 0.000 1.080 794 V HN 0.422 nan 8.190 nan 0.000 0.444 795 Y N 1.705 121.977 120.300 -0.046 0.000 2.342 795 Y HA 0.723 5.272 4.550 -0.002 0.000 0.338 795 Y C 0.860 176.719 175.900 -0.069 0.000 0.965 795 Y CA 0.127 58.213 58.100 -0.023 0.000 1.159 795 Y CB 1.676 40.136 38.460 -0.001 0.000 1.157 795 Y HN 1.013 nan 8.280 nan 0.000 0.486 796 S N 1.995 117.685 115.700 -0.017 0.000 2.823 796 S HA 0.664 5.133 4.470 -0.002 0.000 0.316 796 S C -0.145 174.309 174.600 -0.243 0.000 1.116 796 S CA -1.262 56.768 58.200 -0.284 0.000 0.911 796 S CB 1.467 64.383 63.200 -0.472 0.000 1.276 796 S HN 0.709 nan 8.310 nan 0.000 0.565 797 R N -0.338 119.818 120.500 -0.573 0.000 3.209 797 R HA -0.158 4.180 4.340 -0.002 0.000 0.252 797 R C 0.383 176.742 176.300 0.098 0.000 0.958 797 R CA 0.563 56.609 56.100 -0.090 0.000 0.651 797 R CB -1.694 28.658 30.300 0.086 0.000 1.142 797 R HN 0.827 nan 8.270 nan 0.000 0.441 798 W N 2.901 124.152 121.300 -0.083 0.000 2.194 798 W HA -0.212 4.447 4.660 -0.002 0.000 0.325 798 W C -1.091 175.444 176.519 0.027 0.000 1.247 798 W CA 2.637 59.959 57.345 -0.038 0.000 1.129 798 W CB -1.742 27.690 29.460 -0.046 0.000 1.146 798 W HN 0.303 nan 8.180 nan 0.000 0.471 799 P HA -0.221 nan 4.420 nan 0.000 0.218 799 P C 0.541 177.412 177.300 -0.715 0.000 1.152 799 P CA 1.834 64.154 63.100 -1.299 0.000 0.857 799 P CB -0.544 30.631 31.700 -0.874 0.000 0.787 800 F N -0.248 119.505 119.950 -0.329 0.000 2.560 800 F HA 0.248 4.774 4.527 -0.002 0.000 0.338 800 F C 1.007 176.743 175.800 -0.107 0.000 1.201 800 F CA -0.958 56.909 58.000 -0.223 0.000 1.291 800 F CB -0.971 37.919 39.000 -0.184 0.000 1.627 800 F HN -0.223 nan 8.300 nan 0.000 0.588 801 L N 3.309 124.538 121.223 0.009 0.000 2.529 801 L HA 0.157 4.496 4.340 -0.002 0.000 0.287 801 L C 0.522 177.518 176.870 0.209 0.000 1.241 801 L CA 0.486 55.401 54.840 0.124 0.000 0.857 801 L CB 0.322 42.447 42.059 0.109 0.000 1.113 801 L HN 0.553 nan 8.230 nan 0.000 0.504 802 R N 1.033 121.698 120.500 0.276 0.000 2.692 802 R HA 0.385 4.724 4.340 -0.002 0.000 0.269 802 R C -1.305 175.010 176.300 0.024 0.000 1.030 802 R CA -1.048 55.206 56.100 0.257 0.000 0.882 802 R CB 1.032 31.430 30.300 0.165 0.000 1.250 802 R HN 0.390 nan 8.270 nan 0.000 0.465 803 E N 1.541 121.654 120.200 -0.144 0.000 2.493 803 E HA 0.084 4.433 4.350 -0.002 0.000 0.255 803 E C -0.561 175.921 176.600 -0.198 0.000 0.999 803 E CA 0.678 56.808 56.400 -0.451 0.000 0.934 803 E CB 0.680 30.240 29.700 -0.232 0.000 0.940 803 E HN 0.575 nan 8.360 nan 0.000 0.473 804 S N 2.920 118.511 115.700 -0.183 0.000 2.595 804 S HA 0.405 4.874 4.470 -0.002 0.000 0.281 804 S C -0.705 173.919 174.600 0.040 0.000 1.117 804 S CA -1.192 57.023 58.200 0.024 0.000 0.873 804 S CB 1.978 65.203 63.200 0.042 0.000 1.108 804 S HN 0.358 nan 8.310 nan 0.000 0.477 805 K N 1.060 121.488 120.400 0.047 0.000 2.201 805 K HA 0.394 4.712 4.320 -0.002 0.000 0.278 805 K C -1.049 175.475 176.600 -0.127 0.000 1.027 805 K CA -0.733 55.453 56.287 -0.167 0.000 0.909 805 K CB 0.783 32.867 32.500 -0.694 0.000 1.062 805 K HN 0.666 nan 8.250 nan 0.000 0.465 806 L N 5.612 126.785 121.223 -0.083 0.000 2.331 806 L HA 0.142 4.481 4.340 -0.002 0.000 0.278 806 L C 0.320 177.154 176.870 -0.060 0.000 1.106 806 L CA 0.496 55.312 54.840 -0.041 0.000 0.824 806 L CB 0.655 42.721 42.059 0.012 0.000 1.142 806 L HN 0.804 nan 8.230 nan 0.000 0.443 807 L N 2.865 124.057 121.223 -0.051 0.000 2.685 807 L HA 0.361 4.700 4.340 -0.002 0.000 0.235 807 L C -0.105 176.761 176.870 -0.007 0.000 1.070 807 L CA 0.397 55.204 54.840 -0.055 0.000 0.888 807 L CB 0.340 42.347 42.059 -0.086 0.000 1.203 807 L HN 0.823 nan 8.230 nan 0.000 0.499 808 S N -0.728 114.985 115.700 0.021 0.000 2.675 808 S HA 0.355 4.824 4.470 -0.002 0.000 0.297 808 S C -1.035 173.629 174.600 0.106 0.000 1.035 808 S CA -0.929 57.316 58.200 0.075 0.000 0.852 808 S CB 0.690 63.938 63.200 0.081 0.000 1.051 808 S HN -0.017 nan 8.310 nan 0.000 0.451 809 L N 1.932 123.237 121.223 0.137 0.000 2.456 809 L HA 0.659 4.998 4.340 -0.002 0.000 0.257 809 L C -0.385 176.631 176.870 0.243 0.000 1.162 809 L CA -0.845 54.084 54.840 0.148 0.000 0.808 809 L CB 0.594 42.645 42.059 -0.014 0.000 1.136 809 L HN 0.704 nan 8.230 nan 0.000 0.466 810 I N 0.506 121.216 120.570 0.233 0.000 2.627 810 I HA 0.243 4.412 4.170 -0.002 0.000 0.288 810 I C -0.487 175.646 176.117 0.027 0.000 1.202 810 I CA -0.322 61.070 61.300 0.153 0.000 1.050 810 I CB 2.249 40.377 38.000 0.212 0.000 1.264 810 I HN 0.637 nan 8.210 nan 0.000 0.429 811 T N -0.276 114.143 114.554 -0.225 0.000 2.888 811 T HA 0.429 4.778 4.350 -0.002 0.000 0.288 811 T C 0.677 174.814 174.700 -0.938 0.000 1.063 811 T CA -0.601 61.217 62.100 -0.469 0.000 1.010 811 T CB 2.468 71.288 68.868 -0.080 0.000 1.214 811 T HN 0.543 nan 8.240 nan 0.000 0.533 812 E N 1.255 120.954 120.200 -0.835 0.000 2.063 812 E HA -0.281 4.067 4.350 -0.002 0.000 0.221 812 E C 1.815 178.240 176.600 -0.292 0.000 1.052 812 E CA 2.688 58.821 56.400 -0.446 0.000 0.891 812 E CB -0.410 29.223 29.700 -0.113 0.000 0.792 812 E HN 0.874 nan 8.360 nan 0.000 0.482 813 E N -1.222 118.869 120.200 -0.182 0.000 2.285 813 E HA 0.032 4.381 4.350 -0.002 0.000 0.194 813 E C 0.026 176.521 176.600 -0.176 0.000 0.997 813 E CA 1.006 57.320 56.400 -0.142 0.000 0.845 813 E CB 0.150 29.797 29.700 -0.088 0.000 0.782 813 E HN 0.078 nan 8.360 nan 0.000 0.491 814 T N 0.587 115.019 114.554 -0.203 0.000 2.916 814 T HA 0.416 4.765 4.350 -0.002 0.000 0.305 814 T C -0.975 173.559 174.700 -0.275 0.000 1.119 814 T CA -0.741 61.188 62.100 -0.285 0.000 1.008 814 T CB 2.640 71.251 68.868 -0.427 0.000 1.129 814 T HN -0.153 nan 8.240 nan 0.000 0.480 815 V N 3.156 122.878 119.914 -0.321 0.000 2.378 815 V HA 0.383 4.502 4.120 -0.002 0.000 0.288 815 V C -1.349 174.601 176.094 -0.239 0.000 1.016 815 V CA -0.863 61.334 62.300 -0.172 0.000 0.840 815 V CB 0.557 32.307 31.823 -0.122 0.000 0.994 815 V HN 0.821 nan 8.190 nan 0.000 0.431 816 Y N 3.042 123.327 120.300 -0.026 0.000 2.404 816 Y HA 0.493 5.042 4.550 -0.002 0.000 0.344 816 Y C 0.721 176.617 175.900 -0.007 0.000 0.970 816 Y CA -0.546 57.545 58.100 -0.015 0.000 1.180 816 Y CB 0.597 39.054 38.460 -0.004 0.000 1.138 816 Y HN 0.553 nan 8.280 nan 0.000 0.510 817 E N 1.457 121.710 120.200 0.088 0.000 2.232 817 E HA 0.674 5.023 4.350 -0.002 0.000 0.264 817 E C -0.300 176.327 176.600 0.044 0.000 0.973 817 E CA -0.954 55.478 56.400 0.055 0.000 0.849 817 E CB 2.244 31.956 29.700 0.019 0.000 1.198 817 E HN 0.809 nan 8.360 nan 0.000 0.407 818 G N -0.156 108.658 108.800 0.023 0.000 2.495 818 G HA2 0.538 4.497 3.960 -0.002 0.000 0.318 818 G HA3 0.538 4.497 3.960 -0.002 0.000 0.318 818 G C -0.982 173.914 174.900 -0.007 0.000 1.257 818 G CA -0.578 44.527 45.100 0.008 0.000 0.962 818 G HN 0.262 nan 8.290 nan 0.000 0.483 819 V N -0.285 119.624 119.914 -0.009 0.000 2.612 819 V HA 0.583 4.702 4.120 -0.002 0.000 0.301 819 V C -0.167 175.917 176.094 -0.016 0.000 1.059 819 V CA -1.583 60.709 62.300 -0.013 0.000 0.886 819 V CB 1.174 32.992 31.823 -0.008 0.000 1.007 819 V HN 1.014 nan 8.190 nan 0.000 0.426 820 K N 1.644 122.030 120.400 -0.023 0.000 2.448 820 K HA 0.422 4.741 4.320 -0.002 0.000 0.278 820 K C 0.350 176.941 176.600 -0.014 0.000 1.009 820 K CA 0.217 56.491 56.287 -0.022 0.000 0.995 820 K CB 1.225 33.708 32.500 -0.028 0.000 0.917 820 K HN 0.567 nan 8.250 nan 0.000 0.481 821 S N 1.909 117.603 115.700 -0.011 0.000 2.664 821 S HA 0.225 4.693 4.470 -0.002 0.000 0.245 821 S C 1.118 175.715 174.600 -0.006 0.000 1.019 821 S CA 0.090 58.285 58.200 -0.008 0.000 0.996 821 S CB -0.330 62.866 63.200 -0.007 0.000 0.878 821 S HN 1.044 nan 8.310 nan 0.000 0.493 822 G N 2.720 111.516 108.800 -0.007 0.000 5.001 822 G HA2 -0.368 3.590 3.960 -0.002 0.000 0.306 822 G HA3 -0.368 3.590 3.960 -0.002 0.000 0.306 822 G C 0.252 175.150 174.900 -0.004 0.000 1.491 822 G CA 0.655 45.753 45.100 -0.005 0.000 1.324 822 G HN 0.551 nan 8.290 nan 0.000 0.829 823 K N 1.846 122.244 120.400 -0.003 0.000 1.981 823 K HA 0.383 4.702 4.320 -0.002 0.000 0.220 823 K C 0.434 177.031 176.600 -0.004 0.000 1.176 823 K CA 0.546 56.832 56.287 -0.003 0.000 1.181 823 K CB -0.462 32.036 32.500 -0.003 0.000 1.218 823 K HN 0.542 nan 8.250 nan 0.000 0.260 824 L N -1.164 120.056 121.223 -0.004 0.000 8.066 824 L HA -0.265 4.074 4.340 -0.002 0.000 0.103 824 L C -0.133 176.732 176.870 -0.009 0.000 1.155 824 L CA 1.035 55.871 54.840 -0.005 0.000 1.279 824 L CB -1.406 40.650 42.059 -0.005 0.000 2.958 824 L HN 0.511 nan 8.230 nan 0.000 1.227 825 T N -1.324 113.224 114.554 -0.010 0.000 2.900 825 T HA 0.727 5.076 4.350 -0.002 0.000 0.295 825 T C -0.827 173.870 174.700 -0.006 0.000 1.044 825 T CA -0.863 61.230 62.100 -0.011 0.000 0.995 825 T CB 2.310 71.168 68.868 -0.015 0.000 1.072 825 T HN 0.561 nan 8.240 nan 0.000 0.473 826 K N 1.040 121.438 120.400 -0.004 0.000 2.259 826 K HA 0.704 5.023 4.320 -0.002 0.000 0.249 826 K C -1.342 175.264 176.600 0.009 0.000 0.942 826 K CA -0.900 55.388 56.287 0.001 0.000 0.816 826 K CB 1.604 34.103 32.500 -0.002 0.000 1.155 826 K HN 0.439 nan 8.250 nan 0.000 0.428 827 V N 4.918 124.842 119.914 0.017 0.000 2.294 827 V HA 0.327 4.446 4.120 -0.002 0.000 0.272 827 V C -0.433 175.678 176.094 0.028 0.000 1.027 827 V CA -0.814 61.508 62.300 0.037 0.000 0.823 827 V CB 0.690 32.551 31.823 0.065 0.000 1.030 827 V HN 0.581 nan 8.190 nan 0.000 0.457 828 I N 4.382 124.961 120.570 0.015 0.000 2.311 828 I HA 0.163 4.332 4.170 -0.002 0.000 0.297 828 I C 1.159 177.249 176.117 -0.044 0.000 1.131 828 I CA -0.144 61.148 61.300 -0.013 0.000 1.289 828 I CB 0.175 38.166 38.000 -0.015 0.000 1.446 828 I HN 0.592 nan 8.210 nan 0.000 0.524 829 E N 6.276 126.431 120.200 -0.076 0.000 2.222 829 E HA 0.028 4.377 4.350 -0.002 0.000 0.312 829 E C 0.656 177.131 176.600 -0.208 0.000 1.263 829 E CA -0.202 56.079 56.400 -0.200 0.000 1.356 829 E CB 0.267 29.852 29.700 -0.191 0.000 1.180 829 E HN 0.405 nan 8.360 nan 0.000 0.494 830 R N 1.693 122.085 120.500 -0.180 0.000 2.584 830 R HA 0.193 4.532 4.340 -0.002 0.000 0.253 830 R C -0.495 175.693 176.300 -0.186 0.000 1.251 830 R CA -0.065 55.947 56.100 -0.147 0.000 1.129 830 R CB 0.587 30.826 30.300 -0.101 0.000 1.239 830 R HN -0.061 nan 8.270 nan 0.000 0.595 831 K N 1.095 121.405 120.400 -0.149 0.000 2.316 831 K HA 0.452 4.771 4.320 -0.002 0.000 0.251 831 K C -2.421 174.087 176.600 -0.153 0.000 0.934 831 K CA -1.974 54.219 56.287 -0.156 0.000 0.802 831 K CB 1.424 33.849 32.500 -0.124 0.000 1.171 831 K HN 0.435 nan 8.250 nan 0.000 0.426 832 P HA 0.010 nan 4.420 nan 0.000 0.271 832 P C -0.623 176.553 177.300 -0.207 0.000 1.220 832 P CA -0.201 62.775 63.100 -0.207 0.000 0.768 832 P CB 0.661 32.229 31.700 -0.221 0.000 0.848 833 Q N 1.412 121.046 119.800 -0.276 0.000 2.614 833 Q HA -0.042 4.297 4.340 -0.002 0.000 0.244 833 Q C 1.051 176.882 176.000 -0.281 0.000 1.097 833 Q CA 0.136 55.773 55.803 -0.277 0.000 0.986 833 Q CB 0.387 28.884 28.738 -0.403 0.000 1.308 833 Q HN 0.453 nan 8.270 nan 0.000 0.546 834 D N 0.244 120.569 120.400 -0.125 0.000 2.194 834 D HA -0.083 4.556 4.640 -0.002 0.000 0.204 834 D C 1.611 177.899 176.300 -0.020 0.000 0.964 834 D CA 0.872 54.841 54.000 -0.051 0.000 0.846 834 D CB 0.020 40.831 40.800 0.017 0.000 0.962 834 D HN 0.521 nan 8.370 nan 0.000 0.490 835 F N 1.156 121.113 119.950 0.012 0.000 2.365 835 F HA 0.099 4.625 4.527 -0.002 0.000 0.300 835 F C 1.848 177.664 175.800 0.026 0.000 1.090 835 F CA 0.558 58.568 58.000 0.017 0.000 1.408 835 F CB -0.485 38.524 39.000 0.015 0.000 1.060 835 F HN -0.172 nan 8.300 nan 0.000 0.534 836 E N 0.699 120.531 120.200 -0.612 0.000 2.076 836 E HA -0.127 4.222 4.350 -0.002 0.000 0.190 836 E C 2.158 178.690 176.600 -0.113 0.000 0.979 836 E CA 0.739 56.911 56.400 -0.379 0.000 0.807 836 E CB -0.173 29.229 29.700 -0.498 0.000 0.761 836 E HN 0.355 nan 8.360 nan 0.000 0.454 837 R N 1.828 122.255 120.500 -0.121 0.000 2.105 837 R HA -0.158 4.180 4.340 -0.002 0.000 0.239 837 R C 2.106 178.447 176.300 0.068 0.000 1.135 837 R CA 1.633 57.715 56.100 -0.031 0.000 0.967 837 R CB -0.002 30.268 30.300 -0.049 0.000 0.861 837 R HN -0.059 nan 8.270 nan 0.000 0.442 838 K N 0.321 120.749 120.400 0.047 0.000 1.973 838 K HA -0.191 4.127 4.320 -0.002 0.000 0.210 838 K C 2.031 178.673 176.600 0.071 0.000 1.045 838 K CA 1.829 58.157 56.287 0.068 0.000 0.937 838 K CB -0.230 32.317 32.500 0.079 0.000 0.721 838 K HN 0.274 nan 8.250 nan 0.000 0.438 839 E N -0.182 120.061 120.200 0.071 0.000 2.085 839 E HA -0.234 4.115 4.350 -0.002 0.000 0.194 839 E C 1.958 178.551 176.600 -0.011 0.000 0.994 839 E CA 1.362 57.776 56.400 0.022 0.000 0.801 839 E CB -0.225 29.491 29.700 0.027 0.000 0.743 839 E HN 0.355 nan 8.360 nan 0.000 0.453 840 F N 1.803 121.696 119.950 -0.096 0.000 2.091 840 F HA -0.267 4.259 4.527 -0.002 0.000 0.299 840 F C 2.326 178.093 175.800 -0.055 0.000 1.103 840 F CA 1.631 59.581 58.000 -0.084 0.000 1.228 840 F CB -0.059 38.912 39.000 -0.049 0.000 0.984 840 F HN -0.057 nan 8.300 nan 0.000 0.477 841 R N 0.760 121.314 120.500 0.091 0.000 2.094 841 R HA -0.208 4.131 4.340 -0.002 0.000 0.239 841 R C 2.136 178.370 176.300 -0.111 0.000 1.137 841 R CA 2.021 58.112 56.100 -0.015 0.000 0.943 841 R CB -1.244 29.097 30.300 0.067 0.000 0.850 841 R HN 0.433 nan 8.270 nan 0.000 0.433 842 E N 0.329 120.484 120.200 -0.076 0.000 2.023 842 E HA -0.185 4.163 4.350 -0.002 0.000 0.196 842 E C 2.023 178.541 176.600 -0.136 0.000 1.003 842 E CA 1.184 57.535 56.400 -0.082 0.000 0.809 842 E CB -0.173 29.494 29.700 -0.056 0.000 0.755 842 E HN -0.018 nan 8.360 nan 0.000 0.449 843 L N 1.266 122.368 121.223 -0.201 0.000 2.012 843 L HA -0.232 4.107 4.340 -0.002 0.000 0.210 843 L C 2.184 178.913 176.870 -0.235 0.000 1.073 843 L CA 1.788 56.487 54.840 -0.235 0.000 0.748 843 L CB -0.682 41.175 42.059 -0.337 0.000 0.891 843 L HN 0.035 nan 8.230 nan 0.000 0.431 844 K N -1.165 119.010 120.400 -0.376 0.000 2.077 844 K HA -0.301 4.018 4.320 -0.002 0.000 0.213 844 K C 2.203 178.711 176.600 -0.154 0.000 1.051 844 K CA 2.507 58.590 56.287 -0.340 0.000 0.929 844 K CB -0.245 31.986 32.500 -0.448 0.000 0.715 844 K HN 0.232 nan 8.250 nan 0.000 0.451 845 M N -0.472 119.054 119.600 -0.124 0.000 2.123 845 M HA -0.148 4.331 4.480 -0.002 0.000 0.263 845 M C 1.943 178.222 176.300 -0.036 0.000 1.069 845 M CA 1.786 57.049 55.300 -0.061 0.000 1.133 845 M CB -0.020 32.548 32.600 -0.052 0.000 1.356 845 M HN 0.107 nan 8.290 nan 0.000 0.415 846 T N 1.143 115.669 114.554 -0.048 0.000 2.777 846 T HA -0.074 4.275 4.350 -0.002 0.000 0.266 846 T C 1.683 176.384 174.700 0.002 0.000 1.040 846 T CA 1.391 63.473 62.100 -0.029 0.000 1.141 846 T CB -0.306 68.535 68.868 -0.045 0.000 0.868 846 T HN 0.337 nan 8.240 nan 0.000 0.444 847 L N 0.700 121.940 121.223 0.029 0.000 2.027 847 L HA -0.071 4.267 4.340 -0.002 0.000 0.206 847 L C 2.732 179.756 176.870 0.257 0.000 1.074 847 L CA 1.381 56.318 54.840 0.160 0.000 0.745 847 L CB -0.539 41.647 42.059 0.212 0.000 0.898 847 L HN 0.195 nan 8.230 nan 0.000 0.433 848 K N -0.030 120.450 120.400 0.135 0.000 2.032 848 K HA -0.247 4.072 4.320 -0.002 0.000 0.209 848 K C 2.400 179.073 176.600 0.121 0.000 1.048 848 K CA 1.988 58.347 56.287 0.120 0.000 0.927 848 K CB -0.137 32.386 32.500 0.039 0.000 0.712 848 K HN 0.160 nan 8.250 nan 0.000 0.441 849 S N 0.602 116.342 115.700 0.067 0.000 2.383 849 S HA -0.119 4.350 4.470 -0.002 0.000 0.227 849 S C 1.802 176.419 174.600 0.027 0.000 1.026 849 S CA 1.200 59.424 58.200 0.040 0.000 0.981 849 S CB -0.291 62.919 63.200 0.016 0.000 0.818 849 S HN 0.383 nan 8.310 nan 0.000 0.472 850 N N -0.754 117.950 118.700 0.007 0.000 2.250 850 N HA -0.048 4.690 4.740 -0.002 0.000 0.181 850 N C 1.447 176.890 175.510 -0.112 0.000 1.017 850 N CA 1.106 54.108 53.050 -0.080 0.000 0.866 850 N CB -0.236 38.157 38.487 -0.157 0.000 0.985 850 N HN 0.518 nan 8.380 nan 0.000 0.429 851 Y N 1.484 121.801 120.300 0.029 0.000 2.207 851 Y HA -0.263 4.285 4.550 -0.002 0.000 0.287 851 Y C 2.725 178.640 175.900 0.026 0.000 1.156 851 Y CA 1.865 59.993 58.100 0.045 0.000 1.182 851 Y CB -0.050 38.444 38.460 0.057 0.000 0.979 851 Y HN 0.323 nan 8.280 nan 0.000 0.521 852 Q N 0.231 120.107 119.800 0.125 0.000 2.134 852 Q HA -0.070 4.268 4.340 -0.002 0.000 0.195 852 Q C 2.125 178.140 176.000 0.025 0.000 0.958 852 Q CA 1.305 57.147 55.803 0.065 0.000 0.840 852 Q CB -0.647 28.116 28.738 0.043 0.000 0.918 852 Q HN 0.202 nan 8.270 nan 0.000 0.467 853 R N -0.318 120.188 120.500 0.011 0.000 2.083 853 R HA -0.101 4.238 4.340 -0.002 0.000 0.237 853 R C 1.531 177.808 176.300 -0.037 0.000 1.137 853 R CA 2.018 58.113 56.100 -0.009 0.000 0.951 853 R CB -0.411 29.883 30.300 -0.010 0.000 0.851 853 R HN 0.443 nan 8.270 nan 0.000 0.434 854 T N -0.551 113.971 114.554 -0.053 0.000 3.044 854 T HA 0.108 4.457 4.350 -0.002 0.000 0.255 854 T C 0.966 175.616 174.700 -0.084 0.000 1.073 854 T CA 0.786 62.832 62.100 -0.091 0.000 1.125 854 T CB 0.328 69.127 68.868 -0.116 0.000 0.908 854 T HN 0.221 nan 8.240 nan 0.000 0.480 855 K N -0.304 120.082 120.400 -0.023 0.000 2.554 855 K HA 0.507 4.826 4.320 -0.002 0.000 0.211 855 K C 0.560 177.216 176.600 0.093 0.000 1.226 855 K CA 0.397 56.707 56.287 0.039 0.000 1.025 855 K CB 1.163 33.726 32.500 0.106 0.000 1.021 855 K HN 0.072 nan 8.250 nan 0.000 0.600 856 A N 1.298 124.150 122.820 0.054 0.000 2.826 856 A HA -0.211 4.108 4.320 -0.002 0.000 0.274 856 A C 0.018 177.652 177.584 0.084 0.000 1.443 856 A CA 0.730 52.795 52.037 0.047 0.000 0.833 856 A CB -2.300 16.715 19.000 0.025 0.000 1.023 856 A HN 0.322 nan 8.150 nan 0.000 0.600 857 I N -0.618 120.037 120.570 0.143 0.000 2.315 857 I HA 0.438 4.606 4.170 -0.002 0.000 0.291 857 I C 0.041 176.191 176.117 0.055 0.000 1.006 857 I CA -0.711 60.675 61.300 0.144 0.000 1.265 857 I CB 1.413 39.594 38.000 0.301 0.000 1.387 857 I HN 0.266 nan 8.210 nan 0.000 0.475 858 L N 7.989 129.170 121.223 -0.070 0.000 2.283 858 L HA 0.414 4.752 4.340 -0.002 0.000 0.281 858 L C -0.411 176.418 176.870 -0.067 0.000 1.033 858 L CA -0.089 54.697 54.840 -0.091 0.000 0.848 858 L CB 0.764 42.676 42.059 -0.245 0.000 1.226 858 L HN 0.436 nan 8.230 nan 0.000 0.429 859 L N 3.942 125.135 121.223 -0.051 0.000 2.410 859 L HA 0.115 4.453 4.340 -0.002 0.000 0.273 859 L C 1.401 178.248 176.870 -0.038 0.000 1.152 859 L CA -0.227 54.564 54.840 -0.082 0.000 0.855 859 L CB 0.444 42.440 42.059 -0.105 0.000 1.129 859 L HN 0.599 nan 8.230 nan 0.000 0.463 860 D N 1.687 122.061 120.400 -0.044 0.000 2.321 860 D HA -0.217 4.422 4.640 -0.002 0.000 0.194 860 D C 0.252 176.552 176.300 0.000 0.000 1.013 860 D CA 1.872 55.864 54.000 -0.013 0.000 0.863 860 D CB 0.209 40.992 40.800 -0.028 0.000 1.011 860 D HN 0.765 nan 8.370 nan 0.000 0.457 861 D N -2.539 117.857 120.400 -0.005 0.000 2.602 861 D HA 0.101 4.740 4.640 -0.002 0.000 0.215 861 D C -1.437 174.871 176.300 0.013 0.000 1.148 861 D CA -0.424 53.581 54.000 0.008 0.000 0.764 861 D CB 0.297 41.113 40.800 0.027 0.000 2.364 861 D HN -0.113 nan 8.370 nan 0.000 0.484 862 I N 3.806 124.378 120.570 0.003 0.000 2.372 862 I HA 0.136 4.305 4.170 -0.002 0.000 0.298 862 I C 1.830 178.008 176.117 0.101 0.000 1.137 862 I CA 0.133 61.442 61.300 0.015 0.000 1.314 862 I CB 0.792 38.764 38.000 -0.047 0.000 1.444 862 I HN 0.518 nan 8.210 nan 0.000 0.541 863 S N 5.005 120.785 115.700 0.134 0.000 2.348 863 S HA 0.037 4.506 4.470 -0.002 0.000 0.221 863 S C 0.936 175.696 174.600 0.267 0.000 1.033 863 S CA 0.569 58.886 58.200 0.194 0.000 1.010 863 S CB 0.039 63.354 63.200 0.192 0.000 0.891 863 S HN 0.627 nan 8.310 nan 0.000 0.442 864 A N 0.739 123.697 122.820 0.230 0.000 2.374 864 A HA 0.727 5.046 4.320 -0.002 0.000 0.305 864 A C -0.665 177.071 177.584 0.253 0.000 1.053 864 A CA -0.877 51.319 52.037 0.264 0.000 0.726 864 A CB 1.015 20.116 19.000 0.169 0.000 1.229 864 A HN 0.452 nan 8.150 nan 0.000 0.431 865 L N 1.630 123.066 121.223 0.355 0.000 2.357 865 L HA 0.675 5.014 4.340 -0.002 0.000 0.273 865 L C 0.646 177.674 176.870 0.263 0.000 1.080 865 L CA -0.464 54.551 54.840 0.292 0.000 0.803 865 L CB 1.676 43.937 42.059 0.337 0.000 1.174 865 L HN 0.799 nan 8.230 nan 0.000 0.443 866 A N 2.927 125.887 122.820 0.233 0.000 2.318 866 A HA 0.455 4.774 4.320 -0.002 0.000 0.324 866 A C -0.618 177.036 177.584 0.117 0.000 1.170 866 A CA -0.632 51.508 52.037 0.170 0.000 0.810 866 A CB 1.060 20.155 19.000 0.157 0.000 1.198 866 A HN 0.650 nan 8.150 nan 0.000 0.484 867 K N 2.770 123.175 120.400 0.007 0.000 2.281 867 K HA 0.523 4.842 4.320 -0.002 0.000 0.272 867 K C -0.630 175.879 176.600 -0.150 0.000 1.048 867 K CA -0.239 55.897 56.287 -0.252 0.000 0.898 867 K CB 0.792 33.121 32.500 -0.286 0.000 1.128 867 K HN 0.718 nan 8.250 nan 0.000 0.460 868 V N 1.209 121.051 119.914 -0.120 0.000 3.103 868 V HA 0.735 4.854 4.120 -0.002 0.000 0.318 868 V C -0.517 175.550 176.094 -0.045 0.000 1.114 868 V CA -0.871 61.411 62.300 -0.031 0.000 1.020 868 V CB 1.716 33.597 31.823 0.097 0.000 1.085 868 V HN 0.392 nan 8.190 nan 0.000 0.446 869 V N -1.012 118.890 119.914 -0.020 0.000 2.604 869 V HA 0.797 4.916 4.120 -0.002 0.000 0.305 869 V C -2.779 173.414 176.094 0.164 0.000 1.043 869 V CA -2.229 60.096 62.300 0.043 0.000 0.888 869 V CB 1.523 33.352 31.823 0.010 0.000 0.995 869 V HN 0.902 nan 8.190 nan 0.000 0.429 870 P HA 0.333 nan 4.420 nan 0.000 0.288 870 P C -0.197 177.140 177.300 0.063 0.000 1.267 870 P CA -0.330 62.845 63.100 0.124 0.000 0.815 870 P CB 1.687 33.441 31.700 0.090 0.000 0.989 871 V N 3.898 123.717 119.914 -0.159 0.000 2.599 871 V HA -0.035 4.083 4.120 -0.002 0.000 0.300 871 V C 1.336 177.133 176.094 -0.495 0.000 1.034 871 V CA 0.681 62.581 62.300 -0.668 0.000 1.115 871 V CB -0.708 30.504 31.823 -1.017 0.000 0.934 871 V HN 0.734 nan 8.190 nan 0.000 0.485 872 N N 2.734 121.174 118.700 -0.433 0.000 2.433 872 N HA 0.473 5.212 4.740 -0.002 0.000 0.270 872 N C -0.120 175.345 175.510 -0.075 0.000 1.354 872 N CA 0.319 53.279 53.050 -0.151 0.000 0.889 872 N CB 1.299 39.753 38.487 -0.055 0.000 1.285 872 N HN 0.961 nan 8.380 nan 0.000 0.503 873 G N -0.449 108.244 108.800 -0.179 0.000 2.351 873 G HA2 0.166 4.124 3.960 -0.002 0.000 0.353 873 G HA3 0.166 4.124 3.960 -0.002 0.000 0.353 873 G C -1.903 172.947 174.900 -0.083 0.000 1.358 873 G CA -1.056 44.069 45.100 0.040 0.000 0.995 873 G HN 0.147 nan 8.290 nan 0.000 0.611 874 L N -0.462 120.787 121.223 0.044 0.000 2.375 874 L HA 0.854 5.193 4.340 -0.002 0.000 0.268 874 L C 0.037 176.987 176.870 0.135 0.000 1.058 874 L CA -1.201 53.682 54.840 0.073 0.000 0.803 874 L CB 1.687 43.818 42.059 0.121 0.000 1.212 874 L HN 0.627 nan 8.230 nan 0.000 0.451 875 V N 2.669 122.676 119.914 0.156 0.000 2.686 875 V HA 0.386 4.505 4.120 -0.002 0.000 0.306 875 V C -0.289 175.752 176.094 -0.087 0.000 1.065 875 V CA -0.670 61.684 62.300 0.089 0.000 0.894 875 V CB 2.123 33.953 31.823 0.012 0.000 1.004 875 V HN 0.774 nan 8.190 nan 0.000 0.424 876 R N 4.885 125.152 120.500 -0.389 0.000 2.570 876 R HA 0.227 4.566 4.340 -0.002 0.000 0.277 876 R C -0.113 175.949 176.300 -0.396 0.000 1.039 876 R CA 0.004 55.551 56.100 -0.922 0.000 1.065 876 R CB 0.366 30.173 30.300 -0.822 0.000 0.964 876 R HN 0.812 nan 8.270 nan 0.000 0.428 877 N N 0.356 118.848 118.700 -0.346 0.000 2.489 877 N HA 0.001 4.739 4.740 -0.002 0.000 0.284 877 N C 1.034 176.465 175.510 -0.132 0.000 1.158 877 N CA 0.059 53.008 53.050 -0.169 0.000 0.965 877 N CB 1.680 40.095 38.487 -0.119 0.000 1.195 877 N HN 0.655 nan 8.380 nan 0.000 0.506 878 S N -0.101 115.552 115.700 -0.078 0.000 2.409 878 S HA -0.252 4.217 4.470 -0.002 0.000 0.237 878 S C 0.885 175.456 174.600 -0.049 0.000 1.060 878 S CA 1.760 59.929 58.200 -0.053 0.000 1.052 878 S CB -0.311 62.869 63.200 -0.033 0.000 0.871 878 S HN 0.808 nan 8.310 nan 0.000 0.465 879 D N -0.042 120.325 120.400 -0.055 0.000 2.388 879 D HA 0.259 4.898 4.640 -0.002 0.000 0.221 879 D C 1.274 177.546 176.300 -0.046 0.000 1.133 879 D CA 0.484 54.461 54.000 -0.039 0.000 0.831 879 D CB -0.117 40.667 40.800 -0.027 0.000 0.962 879 D HN 0.622 nan 8.370 nan 0.000 0.502 880 G N 1.200 109.949 108.800 -0.086 0.000 2.179 880 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.260 880 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.260 880 G C 0.424 175.264 174.900 -0.100 0.000 0.977 880 G CA 0.452 45.498 45.100 -0.090 0.000 0.641 880 G HN 0.707 nan 8.290 nan 0.000 0.533 881 S N -0.484 115.158 115.700 -0.098 0.000 2.592 881 S HA 0.670 5.139 4.470 -0.002 0.000 0.271 881 S C -0.373 174.136 174.600 -0.151 0.000 1.326 881 S CA -0.460 57.710 58.200 -0.050 0.000 1.024 881 S CB 1.490 64.678 63.200 -0.020 0.000 0.921 881 S HN 0.396 nan 8.310 nan 0.000 0.527 882 Y N 0.928 121.212 120.300 -0.026 0.000 2.364 882 Y HA 0.557 5.106 4.550 -0.002 0.000 0.340 882 Y C 0.679 176.564 175.900 -0.025 0.000 0.975 882 Y CA -0.184 57.899 58.100 -0.029 0.000 1.089 882 Y CB 2.173 40.609 38.460 -0.041 0.000 1.192 882 Y HN 1.052 nan 8.280 nan 0.000 0.454 883 S N 1.508 117.269 115.700 0.101 0.000 2.697 883 S HA 0.587 5.056 4.470 -0.002 0.000 0.289 883 S C -1.377 173.213 174.600 -0.016 0.000 1.149 883 S CA -1.536 56.693 58.200 0.049 0.000 0.850 883 S CB 1.495 64.718 63.200 0.038 0.000 1.151 883 S HN 0.476 nan 8.310 nan 0.000 0.491 884 K N 1.421 121.768 120.400 -0.088 0.000 2.447 884 K HA 0.291 4.610 4.320 -0.002 0.000 0.281 884 K C 0.059 176.410 176.600 -0.416 0.000 1.031 884 K CA 0.017 56.095 56.287 -0.349 0.000 1.019 884 K CB 0.652 32.849 32.500 -0.505 0.000 0.918 884 K HN 0.567 nan 8.250 nan 0.000 0.476 885 S N 3.340 118.757 115.700 -0.471 0.000 2.541 885 S HA 0.530 4.999 4.470 -0.002 0.000 0.283 885 S C -0.737 173.522 174.600 -0.569 0.000 1.196 885 S CA -0.755 57.255 58.200 -0.318 0.000 1.062 885 S CB 0.309 63.424 63.200 -0.141 0.000 1.009 885 S HN 0.363 nan 8.310 nan 0.000 0.502 886 F N 2.307 122.209 119.950 -0.081 0.000 2.575 886 F HA 0.483 5.009 4.527 -0.002 0.000 0.330 886 F C 0.788 176.556 175.800 -0.052 0.000 1.056 886 F CA -1.042 56.908 58.000 -0.083 0.000 0.964 886 F CB 1.303 40.257 39.000 -0.077 0.000 1.258 886 F HN 0.533 nan 8.300 nan 0.000 0.484 887 N N 0.990 119.786 118.700 0.160 0.000 2.438 887 N HA 0.107 4.845 4.740 -0.002 0.000 0.282 887 N C 0.350 175.906 175.510 0.076 0.000 1.037 887 N CA -0.045 53.053 53.050 0.080 0.000 0.942 887 N CB 1.268 39.789 38.487 0.057 0.000 1.136 887 N HN 0.740 nan 8.380 nan 0.000 0.481 888 E N 0.657 120.886 120.200 0.049 0.000 2.268 888 E HA -0.054 4.294 4.350 -0.002 0.000 0.195 888 E C -0.017 176.594 176.600 0.020 0.000 0.995 888 E CA 0.816 57.235 56.400 0.032 0.000 0.836 888 E CB 0.157 29.871 29.700 0.024 0.000 0.763 888 E HN 0.577 nan 8.360 nan 0.000 0.491 889 T N 1.506 116.074 114.554 0.022 0.000 2.814 889 T HA 0.238 4.587 4.350 -0.002 0.000 0.297 889 T C 0.343 175.042 174.700 -0.002 0.000 0.956 889 T CA -0.138 61.971 62.100 0.015 0.000 1.123 889 T CB 1.068 69.948 68.868 0.020 0.000 0.902 889 T HN -0.043 nan 8.240 nan 0.000 0.528 890 I N 2.970 123.526 120.570 -0.023 0.000 2.474 890 I HA 0.201 4.369 4.170 -0.002 0.000 0.287 890 I C 0.733 176.774 176.117 -0.126 0.000 1.048 890 I CA -0.082 61.158 61.300 -0.099 0.000 1.383 890 I CB 0.758 38.681 38.000 -0.128 0.000 1.412 890 I HN 0.634 nan 8.210 nan 0.000 0.531 891 E N 5.105 125.182 120.200 -0.204 0.000 2.256 891 E HA 0.439 4.788 4.350 -0.002 0.000 0.267 891 E C -1.671 174.650 176.600 -0.466 0.000 0.892 891 E CA -0.752 55.502 56.400 -0.242 0.000 0.775 891 E CB 2.135 31.746 29.700 -0.148 0.000 1.207 891 E HN 0.327 nan 8.360 nan 0.000 0.420 892 Y N 0.722 120.813 120.300 -0.348 0.000 2.409 892 Y HA 0.436 4.985 4.550 -0.002 0.000 0.339 892 Y C -0.774 174.787 175.900 -0.565 0.000 1.033 892 Y CA -0.558 57.375 58.100 -0.280 0.000 1.094 892 Y CB 1.249 39.638 38.460 -0.119 0.000 1.210 892 Y HN 0.444 nan 8.280 nan 0.000 0.456 893 Y N 2.012 122.446 120.300 0.224 0.000 2.492 893 Y HA 0.422 4.971 4.550 -0.002 0.000 0.346 893 Y C -2.500 173.463 175.900 0.105 0.000 0.997 893 Y CA -2.855 55.344 58.100 0.165 0.000 1.025 893 Y CB 2.143 40.675 38.460 0.121 0.000 1.263 893 Y HN 0.409 nan 8.280 nan 0.000 0.454 894 P HA -0.044 nan 4.420 nan 0.000 0.265 894 P C 0.576 177.917 177.300 0.068 0.000 1.193 894 P CA 0.063 63.204 63.100 0.069 0.000 0.765 894 P CB 0.811 32.464 31.700 -0.079 0.000 0.823 895 L N 3.783 125.047 121.223 0.069 0.000 2.131 895 L HA -0.214 4.125 4.340 -0.002 0.000 0.210 895 L C 1.949 178.793 176.870 -0.043 0.000 1.092 895 L CA 1.708 56.577 54.840 0.048 0.000 0.759 895 L CB -1.048 41.060 42.059 0.081 0.000 0.903 895 L HN 0.383 nan 8.230 nan 0.000 0.435 896 Q N -0.491 119.247 119.800 -0.104 0.000 2.488 896 Q HA -0.136 4.203 4.340 -0.002 0.000 0.211 896 Q C 1.562 177.392 176.000 -0.283 0.000 0.967 896 Q CA 1.239 56.910 55.803 -0.220 0.000 0.926 896 Q CB -0.405 28.172 28.738 -0.269 0.000 0.992 896 Q HN 0.627 nan 8.270 nan 0.000 0.506 897 L N 0.589 121.678 121.223 -0.224 0.000 2.607 897 L HA 0.225 4.564 4.340 -0.002 0.000 0.228 897 L C 0.242 177.008 176.870 -0.174 0.000 1.123 897 L CA -0.290 54.390 54.840 -0.267 0.000 0.890 897 L CB 0.330 42.276 42.059 -0.188 0.000 1.103 897 L HN 0.105 nan 8.230 nan 0.000 0.468 898 I N 0.498 120.994 120.570 -0.124 0.000 2.396 898 I HA 0.196 4.365 4.170 -0.002 0.000 0.292 898 I C 0.163 176.234 176.117 -0.077 0.000 0.999 898 I CA -0.280 60.973 61.300 -0.079 0.000 1.310 898 I CB 1.701 39.673 38.000 -0.047 0.000 1.404 898 I HN -0.325 nan 8.210 nan 0.000 0.496 899 V N 7.117 127.027 119.914 -0.006 0.000 2.513 899 V HA 0.287 4.406 4.120 -0.002 0.000 0.299 899 V C 1.063 177.178 176.094 0.036 0.000 1.035 899 V CA -0.512 61.791 62.300 0.005 0.000 0.889 899 V CB 1.798 33.649 31.823 0.047 0.000 0.988 899 V HN 0.746 nan 8.190 nan 0.000 0.440 900 E N 1.765 121.956 120.200 -0.015 0.000 2.060 900 E HA 0.001 4.350 4.350 -0.002 0.000 0.189 900 E C -0.021 176.647 176.600 0.114 0.000 0.974 900 E CA 0.851 57.226 56.400 -0.041 0.000 0.808 900 E CB 0.314 30.002 29.700 -0.020 0.000 0.768 900 E HN 0.761 nan 8.360 nan 0.000 0.453 901 D N -1.326 119.103 120.400 0.048 0.000 2.781 901 D HA 0.447 5.086 4.640 -0.002 0.000 0.295 901 D C -1.641 174.491 176.300 -0.280 0.000 1.143 901 D CA -0.826 53.173 54.000 -0.002 0.000 1.076 901 D CB 2.235 43.074 40.800 0.064 0.000 1.444 901 D HN -0.189 nan 8.370 nan 0.000 0.567 902 V N 1.067 120.789 119.914 -0.321 0.000 3.000 902 V HA 0.235 4.354 4.120 -0.002 0.000 0.300 902 V C 0.700 176.686 176.094 -0.179 0.000 1.251 902 V CA -0.621 61.443 62.300 -0.394 0.000 0.972 902 V CB 2.159 33.451 31.823 -0.886 0.000 1.065 902 V HN 0.597 nan 8.190 nan 0.000 0.431 903 K N 2.149 122.475 120.400 -0.124 0.000 2.007 903 K HA 0.169 4.488 4.320 -0.002 0.000 0.206 903 K C 0.594 177.166 176.600 -0.046 0.000 1.047 903 K CA 1.028 57.276 56.287 -0.065 0.000 0.937 903 K CB 0.159 32.629 32.500 -0.051 0.000 0.718 903 K HN 0.680 nan 8.250 nan 0.000 0.438 904 N N 1.758 120.432 118.700 -0.043 0.000 2.408 904 N HA 0.114 4.853 4.740 -0.002 0.000 0.280 904 N C -1.194 174.315 175.510 -0.001 0.000 1.002 904 N CA -0.254 52.784 53.050 -0.020 0.000 0.907 904 N CB 1.630 40.107 38.487 -0.017 0.000 1.161 904 N HN -0.017 nan 8.380 nan 0.000 0.488 905 K N 0.871 121.284 120.400 0.022 0.000 2.138 905 K HA 0.173 4.492 4.320 -0.002 0.000 0.263 905 K C -0.435 176.187 176.600 0.037 0.000 0.965 905 K CA -0.726 55.604 56.287 0.072 0.000 0.868 905 K CB 1.639 34.204 32.500 0.109 0.000 1.083 905 K HN 0.422 nan 8.250 nan 0.000 0.443 906 D N 2.684 123.107 120.400 0.039 0.000 2.479 906 D HA -0.071 4.568 4.640 -0.002 0.000 0.257 906 D C 0.750 177.004 176.300 -0.077 0.000 1.230 906 D CA 0.673 54.629 54.000 -0.074 0.000 0.912 906 D CB 0.539 41.218 40.800 -0.202 0.000 1.130 906 D HN 0.442 nan 8.370 nan 0.000 0.515 907 E N 2.785 122.929 120.200 -0.094 0.000 2.110 907 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 907 E C 1.816 178.354 176.600 -0.103 0.000 0.988 907 E CA 0.769 57.122 56.400 -0.078 0.000 0.804 907 E CB 0.220 29.870 29.700 -0.084 0.000 0.745 907 E HN 0.430 nan 8.360 nan 0.000 0.458 908 R N -0.563 119.815 120.500 -0.203 0.000 2.211 908 R HA -0.171 4.168 4.340 -0.002 0.000 0.240 908 R C 1.202 177.457 176.300 -0.075 0.000 1.144 908 R CA 1.258 57.218 56.100 -0.233 0.000 0.992 908 R CB -0.105 29.959 30.300 -0.393 0.000 0.869 908 R HN 0.417 nan 8.270 nan 0.000 0.462 909 Y N -0.575 119.690 120.300 -0.059 0.000 2.467 909 Y HA 0.246 4.795 4.550 -0.002 0.000 0.250 909 Y C 0.594 176.463 175.900 -0.051 0.000 1.155 909 Y CA -0.956 57.103 58.100 -0.068 0.000 1.249 909 Y CB 0.744 39.161 38.460 -0.072 0.000 1.146 909 Y HN -0.101 nan 8.280 nan 0.000 0.524 910 I N 2.445 123.079 120.570 0.107 0.000 2.581 910 I HA -0.074 4.095 4.170 -0.002 0.000 0.285 910 I C 0.243 176.387 176.117 0.045 0.000 1.129 910 I CA 0.419 61.755 61.300 0.062 0.000 1.397 910 I CB 0.313 38.328 38.000 0.025 0.000 1.399 910 I HN 0.171 nan 8.210 nan 0.000 0.537 911 E N 7.027 127.257 120.200 0.049 0.000 2.452 911 E HA 0.014 4.362 4.350 -0.002 0.000 0.261 911 E C -0.510 176.120 176.600 0.050 0.000 0.987 911 E CA 0.357 56.790 56.400 0.055 0.000 0.926 911 E CB 0.610 30.340 29.700 0.051 0.000 0.934 911 E HN 0.425 nan 8.360 nan 0.000 0.452 912 K N 2.780 123.227 120.400 0.077 0.000 2.164 912 K HA 0.243 4.561 4.320 -0.002 0.000 0.258 912 K C -0.189 176.459 176.600 0.080 0.000 0.951 912 K CA -0.889 55.435 56.287 0.061 0.000 0.844 912 K CB 1.367 33.887 32.500 0.034 0.000 1.099 912 K HN 0.338 nan 8.250 nan 0.000 0.435 913 E N 2.696 122.923 120.200 0.044 0.000 2.371 913 E HA 0.162 4.511 4.350 -0.002 0.000 0.257 913 E C -2.140 174.484 176.600 0.039 0.000 1.134 913 E CA -1.870 54.550 56.400 0.033 0.000 0.919 913 E CB 0.125 29.833 29.700 0.014 0.000 1.025 913 E HN 0.384 nan 8.360 nan 0.000 0.438 914 P HA 0.114 nan 4.420 nan 0.000 0.270 914 P C -0.473 176.828 177.300 0.001 0.000 1.223 914 P CA 0.009 63.117 63.100 0.012 0.000 0.785 914 P CB 0.571 32.270 31.700 -0.002 0.000 0.923 915 L N 1.734 122.952 121.223 -0.009 0.000 2.283 915 L HA 0.590 4.929 4.340 -0.002 0.000 0.259 915 L C -2.209 174.640 176.870 -0.036 0.000 1.027 915 L CA -1.972 52.849 54.840 -0.032 0.000 0.828 915 L CB 1.143 43.166 42.059 -0.061 0.000 1.380 915 L HN 0.274 nan 8.230 nan 0.000 0.425 916 P HA 0.251 nan 4.420 nan 0.000 0.278 916 P C 0.671 177.925 177.300 -0.077 0.000 1.238 916 P CA -0.565 62.497 63.100 -0.064 0.000 0.794 916 P CB 0.489 32.140 31.700 -0.082 0.000 0.955 917 I N 1.963 122.497 120.570 -0.061 0.000 2.194 917 I HA -0.295 3.874 4.170 -0.002 0.000 0.246 917 I C 1.501 177.547 176.117 -0.117 0.000 1.093 917 I CA 2.096 63.402 61.300 0.010 0.000 1.355 917 I CB -2.375 35.618 38.000 -0.013 0.000 1.046 917 I HN 0.502 nan 8.210 nan 0.000 0.413 918 N N 0.738 119.187 118.700 -0.419 0.000 2.459 918 N HA -0.130 4.609 4.740 -0.002 0.000 0.181 918 N C 1.573 177.021 175.510 -0.104 0.000 1.046 918 N CA 0.585 53.364 53.050 -0.451 0.000 0.904 918 N CB -0.032 38.138 38.487 -0.529 0.000 0.964 918 N HN 0.230 nan 8.380 nan 0.000 0.444 919 K N 1.009 121.343 120.400 -0.109 0.000 2.141 919 K HA -0.001 4.317 4.320 -0.002 0.000 0.202 919 K C 1.757 178.271 176.600 -0.143 0.000 1.045 919 K CA 0.759 56.991 56.287 -0.092 0.000 0.971 919 K CB -0.281 32.163 32.500 -0.092 0.000 0.795 919 K HN 0.359 nan 8.250 nan 0.000 0.459 920 E N -0.501 119.550 120.200 -0.248 0.000 2.204 920 E HA -0.051 4.298 4.350 -0.002 0.000 0.194 920 E C -0.456 175.634 176.600 -0.850 0.000 0.989 920 E CA 0.657 56.701 56.400 -0.593 0.000 0.824 920 E CB 0.248 29.468 29.700 -0.799 0.000 0.756 920 E HN 0.127 nan 8.360 nan 0.000 0.477 921 F N 0.927 120.930 119.950 0.089 0.000 2.646 921 F HA 0.312 4.838 4.527 -0.002 0.000 0.336 921 F C -2.320 173.601 175.800 0.202 0.000 1.437 921 F CA -2.358 55.727 58.000 0.141 0.000 1.142 921 F CB 1.210 40.320 39.000 0.182 0.000 1.530 921 F HN -0.161 nan 8.300 nan 0.000 0.591 922 P HA -0.140 nan 4.420 nan 0.000 0.263 922 P C 0.007 177.461 177.300 0.257 0.000 1.175 922 P CA 0.101 63.333 63.100 0.221 0.000 0.761 922 P CB 0.785 32.555 31.700 0.118 0.000 0.794 923 K N 2.466 123.045 120.400 0.298 0.000 2.477 923 K HA 0.037 4.356 4.320 -0.002 0.000 0.275 923 K C 1.291 177.950 176.600 0.098 0.000 1.054 923 K CA 1.318 57.701 56.287 0.161 0.000 1.135 923 K CB -0.887 31.717 32.500 0.173 0.000 0.854 923 K HN 0.825 nan 8.250 nan 0.000 0.484 924 G N 2.453 111.288 108.800 0.058 0.000 2.157 924 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.248 924 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.248 924 G C -0.091 174.853 174.900 0.073 0.000 0.979 924 G CA 0.354 45.488 45.100 0.055 0.000 0.650 924 G HN 0.793 nan 8.290 nan 0.000 0.529 925 S N -0.574 115.183 115.700 0.095 0.000 2.610 925 S HA 0.691 5.159 4.470 -0.002 0.000 0.273 925 S C -0.055 174.607 174.600 0.104 0.000 1.274 925 S CA -0.527 57.736 58.200 0.104 0.000 1.023 925 S CB 2.041 65.319 63.200 0.130 0.000 0.962 925 S HN 0.393 nan 8.310 nan 0.000 0.523 926 K N 1.388 121.848 120.400 0.100 0.000 2.234 926 K HA 0.541 4.860 4.320 -0.002 0.000 0.277 926 K C -0.037 176.633 176.600 0.118 0.000 1.038 926 K CA -0.682 55.666 56.287 0.103 0.000 0.888 926 K CB 1.271 33.829 32.500 0.098 0.000 1.091 926 K HN 0.606 nan 8.250 nan 0.000 0.467 927 V N -0.476 119.514 119.914 0.127 0.000 3.240 927 V HA 0.567 4.686 4.120 -0.002 0.000 0.306 927 V C -0.315 175.860 176.094 0.135 0.000 1.227 927 V CA -0.963 61.418 62.300 0.135 0.000 1.047 927 V CB 1.592 33.498 31.823 0.138 0.000 1.203 927 V HN 0.310 nan 8.190 nan 0.000 0.471 928 V N 1.026 121.009 119.914 0.115 0.000 2.384 928 V HA 0.384 4.502 4.120 -0.002 0.000 0.287 928 V C -0.581 175.575 176.094 0.104 0.000 1.020 928 V CA -0.155 62.210 62.300 0.108 0.000 0.850 928 V CB 1.044 32.898 31.823 0.051 0.000 0.987 928 V HN 0.726 nan 8.190 nan 0.000 0.436 929 F N 6.606 126.555 119.950 -0.002 0.000 2.438 929 F HA 0.510 5.036 4.527 -0.002 0.000 0.360 929 F C 0.123 175.926 175.800 0.005 0.000 1.118 929 F CA -0.154 57.850 58.000 0.006 0.000 1.164 929 F CB 0.191 39.214 39.000 0.038 0.000 1.131 929 F HN 0.344 nan 8.300 nan 0.000 0.527 930 L N 4.631 125.515 121.223 -0.565 0.000 2.642 930 L HA 0.727 5.066 4.340 -0.002 0.000 0.229 930 L C 0.818 177.243 176.870 -0.741 0.000 1.179 930 L CA -0.501 54.108 54.840 -0.385 0.000 0.834 930 L CB 0.067 42.026 42.059 -0.167 0.000 1.515 930 L HN 0.839 nan 8.230 nan 0.000 0.512 931 G N 0.122 108.793 108.800 -0.214 0.000 2.722 931 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.686 931 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.686 931 G C -0.020 174.879 174.900 -0.000 0.000 1.282 931 G CA -0.250 44.690 45.100 -0.267 0.000 0.817 931 G HN 0.703 nan 8.290 nan 0.000 0.605 932 D N -0.046 120.472 120.400 0.197 0.000 2.117 932 D HA -0.132 4.506 4.640 -0.002 0.000 0.197 932 D C 1.955 178.444 176.300 0.314 0.000 0.987 932 D CA 2.005 56.130 54.000 0.207 0.000 0.829 932 D CB -0.069 40.831 40.800 0.167 0.000 0.961 932 D HN 0.551 nan 8.370 nan 0.000 0.460 933 Y N 1.377 121.883 120.300 0.343 0.000 1.993 933 Y HA -0.209 4.340 4.550 -0.002 0.000 0.267 933 Y C 0.478 176.543 175.900 0.275 0.000 1.155 933 Y CA 1.855 60.118 58.100 0.273 0.000 1.105 933 Y CB -0.305 38.271 38.460 0.193 0.000 0.960 933 Y HN -0.078 nan 8.280 nan 0.000 0.486 934 A N -0.810 122.145 122.820 0.225 0.000 2.815 934 A HA 0.296 4.615 4.320 -0.002 0.000 0.318 934 A C -1.637 176.158 177.584 0.353 0.000 1.186 934 A CA -0.507 51.576 52.037 0.077 0.000 0.754 934 A CB -0.917 17.938 19.000 -0.242 0.000 1.151 934 A HN 0.334 nan 8.150 nan 0.000 0.452 935 Y N 1.655 122.012 120.300 0.094 0.000 2.721 935 Y HA 0.292 4.841 4.550 -0.002 0.000 0.329 935 Y C 1.485 177.420 175.900 0.058 0.000 1.211 935 Y CA 1.673 59.790 58.100 0.029 0.000 1.512 935 Y CB 0.394 38.856 38.460 0.003 0.000 1.249 935 Y HN 1.470 nan 8.280 nan 0.000 0.549 936 G N 3.220 111.885 108.800 -0.226 0.000 2.179 936 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.260 936 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.260 936 G C 0.540 175.457 174.900 0.028 0.000 0.977 936 G CA 0.045 45.078 45.100 -0.113 0.000 0.641 936 G HN 1.225 nan 8.290 nan 0.000 0.533 937 G N -0.298 108.568 108.800 0.109 0.000 2.467 937 G HA2 0.475 4.433 3.960 -0.002 0.000 0.257 937 G HA3 0.475 4.433 3.960 -0.002 0.000 0.257 937 G C -0.024 174.940 174.900 0.106 0.000 1.227 937 G CA 0.160 45.299 45.100 0.066 0.000 0.835 937 G HN 0.462 nan 8.290 nan 0.000 0.556 938 E N 0.628 120.830 120.200 0.003 0.000 2.220 938 E HA 0.414 4.762 4.350 -0.002 0.000 0.272 938 E C 0.118 176.771 176.600 0.088 0.000 1.099 938 E CA -0.328 56.144 56.400 0.121 0.000 0.907 938 E CB 0.370 30.163 29.700 0.155 0.000 1.022 938 E HN 0.517 nan 8.360 nan 0.000 0.428 939 A N 4.056 126.943 122.820 0.111 0.000 2.331 939 A HA 0.441 4.760 4.320 -0.002 0.000 0.320 939 A C -0.276 177.341 177.584 0.056 0.000 1.138 939 A CA -0.695 51.376 52.037 0.056 0.000 0.790 939 A CB 1.617 20.659 19.000 0.069 0.000 1.206 939 A HN 0.564 nan 8.150 nan 0.000 0.470 940 T N 1.679 116.247 114.554 0.024 0.000 2.882 940 T HA 0.436 4.785 4.350 -0.002 0.000 0.287 940 T C 0.193 174.891 174.700 -0.003 0.000 0.992 940 T CA -0.288 61.827 62.100 0.026 0.000 1.076 940 T CB 1.125 70.006 68.868 0.021 0.000 0.961 940 T HN 0.433 nan 8.240 nan 0.000 0.490 941 V N 3.467 123.386 119.914 0.008 0.000 2.488 941 V HA 0.155 4.274 4.120 -0.002 0.000 0.277 941 V C 0.532 176.570 176.094 -0.093 0.000 1.046 941 V CA -0.075 62.197 62.300 -0.046 0.000 0.986 941 V CB 1.081 32.914 31.823 0.018 0.000 0.989 941 V HN 0.859 nan 8.190 nan 0.000 0.475 942 D N 2.403 122.704 120.400 -0.165 0.000 2.490 942 D HA 0.369 5.008 4.640 -0.002 0.000 0.244 942 D C 0.816 176.965 176.300 -0.252 0.000 0.979 942 D CA 1.512 55.420 54.000 -0.154 0.000 0.924 942 D CB 0.913 41.642 40.800 -0.117 0.000 1.075 942 D HN 0.771 nan 8.370 nan 0.000 0.488 943 G N -1.461 107.068 108.800 -0.451 0.000 2.428 943 G HA2 0.418 4.377 3.960 -0.002 0.000 0.304 943 G HA3 0.418 4.377 3.960 -0.002 0.000 0.304 943 G C -2.027 172.377 174.900 -0.828 0.000 1.303 943 G CA -0.865 43.870 45.100 -0.608 0.000 0.825 943 G HN -0.025 nan 8.290 nan 0.000 0.484 944 Y N 0.332 120.647 120.300 0.025 0.000 2.376 944 Y HA 0.458 5.007 4.550 -0.002 0.000 0.340 944 Y C 0.801 176.710 175.900 0.016 0.000 0.965 944 Y CA -1.190 56.925 58.100 0.025 0.000 1.078 944 Y CB 2.142 40.625 38.460 0.038 0.000 1.193 944 Y HN 0.353 nan 8.280 nan 0.000 0.452 945 N N 1.364 120.128 118.700 0.106 0.000 2.314 945 N HA 0.091 4.830 4.740 -0.002 0.000 0.200 945 N C -0.151 175.403 175.510 0.073 0.000 1.135 945 N CA 0.277 53.365 53.050 0.063 0.000 0.835 945 N CB 0.758 39.261 38.487 0.026 0.000 0.989 945 N HN 0.642 nan 8.380 nan 0.000 0.478 946 S N -1.032 114.734 115.700 0.109 0.000 2.616 946 S HA -0.010 4.458 4.470 -0.002 0.000 0.272 946 S C -0.191 174.462 174.600 0.090 0.000 0.994 946 S CA -0.564 57.685 58.200 0.081 0.000 1.002 946 S CB -0.273 62.959 63.200 0.054 0.000 1.269 946 S HN 0.029 nan 8.310 nan 0.000 0.466 947 E N -0.265 119.965 120.200 0.050 0.000 2.274 947 E HA -0.013 4.336 4.350 -0.002 0.000 0.194 947 E C 1.183 177.811 176.600 0.047 0.000 0.996 947 E CA 1.586 58.005 56.400 0.030 0.000 0.840 947 E CB 0.020 29.729 29.700 0.016 0.000 0.772 947 E HN 0.668 nan 8.360 nan 0.000 0.491 948 T N -2.635 111.953 114.554 0.056 0.000 3.009 948 T HA 0.260 4.609 4.350 -0.002 0.000 0.267 948 T C 0.706 175.439 174.700 0.054 0.000 0.942 948 T CA -0.559 61.573 62.100 0.052 0.000 0.883 948 T CB 0.547 69.434 68.868 0.031 0.000 1.192 948 T HN -0.186 nan 8.240 nan 0.000 0.524 949 R N 1.561 122.099 120.500 0.064 0.000 2.732 949 R HA 0.829 5.167 4.340 -0.002 0.000 0.278 949 R C -0.721 175.634 176.300 0.092 0.000 0.976 949 R CA -0.793 55.339 56.100 0.052 0.000 0.963 949 R CB 2.150 32.469 30.300 0.032 0.000 1.150 949 R HN 0.505 nan 8.270 nan 0.000 0.478 950 L N -1.778 119.474 121.223 0.049 0.000 2.424 950 L HA 0.653 4.991 4.340 -0.002 0.000 0.258 950 L C -0.702 176.133 176.870 -0.058 0.000 0.995 950 L CA -1.178 53.673 54.840 0.018 0.000 0.821 950 L CB 2.287 44.377 42.059 0.051 0.000 1.383 950 L HN 0.471 nan 8.230 nan 0.000 0.410 951 K N 2.116 122.441 120.400 -0.124 0.000 2.138 951 K HA 0.824 5.143 4.320 -0.002 0.000 0.263 951 K C -1.348 175.171 176.600 -0.135 0.000 0.965 951 K CA -0.645 55.575 56.287 -0.111 0.000 0.868 951 K CB 1.980 34.421 32.500 -0.099 0.000 1.083 951 K HN 0.726 nan 8.250 nan 0.000 0.443 952 L N -1.376 119.782 121.223 -0.109 0.000 2.654 952 L HA 0.561 4.900 4.340 -0.002 0.000 0.257 952 L C -0.948 175.854 176.870 -0.113 0.000 1.093 952 L CA -0.793 53.984 54.840 -0.105 0.000 0.903 952 L CB 1.688 43.697 42.059 -0.083 0.000 1.520 952 L HN 0.554 nan 8.230 nan 0.000 0.402 953 T N 0.826 115.323 114.554 -0.094 0.000 2.864 953 T HA 0.657 5.006 4.350 -0.002 0.000 0.310 953 T C -0.814 173.831 174.700 -0.091 0.000 1.040 953 T CA -0.296 61.750 62.100 -0.089 0.000 0.977 953 T CB 1.015 69.851 68.868 -0.052 0.000 0.976 953 T HN 0.479 nan 8.240 nan 0.000 0.459 954 V N 5.169 124.998 119.914 -0.142 0.000 2.432 954 V HA 0.397 4.516 4.120 -0.002 0.000 0.275 954 V C 0.358 176.448 176.094 -0.007 0.000 1.043 954 V CA -0.714 61.495 62.300 -0.151 0.000 0.925 954 V CB 1.208 32.803 31.823 -0.381 0.000 0.985 954 V HN 0.660 nan 8.190 nan 0.000 0.466 955 K N 4.624 125.016 120.400 -0.013 0.000 2.183 955 K HA 0.492 4.811 4.320 -0.002 0.000 0.274 955 K C -0.476 176.087 176.600 -0.061 0.000 1.009 955 K CA -0.673 55.610 56.287 -0.006 0.000 0.888 955 K CB 1.368 33.861 32.500 -0.012 0.000 1.078 955 K HN 0.594 nan 8.250 nan 0.000 0.459 956 K N 1.058 121.406 120.400 -0.086 0.000 2.159 956 K HA 0.235 4.554 4.320 -0.002 0.000 0.266 956 K C 0.675 177.223 176.600 -0.086 0.000 0.975 956 K CA -0.654 55.543 56.287 -0.149 0.000 0.865 956 K CB 1.768 34.114 32.500 -0.257 0.000 1.087 956 K HN 0.790 nan 8.250 nan 0.000 0.446 957 G N 0.430 109.179 108.800 -0.084 0.000 3.126 957 G HA2 -0.028 3.931 3.960 -0.002 0.000 0.224 957 G HA3 -0.028 3.931 3.960 -0.002 0.000 0.224 957 G C 0.068 174.962 174.900 -0.010 0.000 1.142 957 G CA 0.056 45.127 45.100 -0.048 0.000 0.759 957 G HN 0.491 nan 8.290 nan 0.000 0.550 958 S N -0.846 114.848 115.700 -0.009 0.000 2.566 958 S HA 0.430 4.898 4.470 -0.002 0.000 0.273 958 S C 0.366 174.971 174.600 0.009 0.000 1.157 958 S CA -0.675 57.535 58.200 0.017 0.000 0.938 958 S CB 1.111 64.347 63.200 0.060 0.000 1.087 958 S HN -0.006 nan 8.310 nan 0.000 0.474 959 L N 2.864 124.095 121.223 0.012 0.000 2.463 959 L HA 0.393 4.732 4.340 -0.002 0.000 0.219 959 L C 1.479 178.369 176.870 0.034 0.000 1.088 959 L CA 0.069 54.918 54.840 0.014 0.000 0.849 959 L CB -0.009 42.058 42.059 0.013 0.000 1.012 959 L HN 0.548 nan 8.230 nan 0.000 0.468 960 R N 1.928 122.455 120.500 0.046 0.000 2.370 960 R HA 0.335 4.674 4.340 -0.002 0.000 0.309 960 R C 0.315 176.697 176.300 0.138 0.000 1.059 960 R CA -0.111 56.038 56.100 0.081 0.000 0.981 960 R CB 0.671 31.000 30.300 0.049 0.000 0.972 960 R HN 0.116 nan 8.270 nan 0.000 0.437 961 A N 4.069 126.957 122.820 0.113 0.000 2.615 961 A HA -0.110 4.209 4.320 -0.002 0.000 0.230 961 A C -0.021 177.641 177.584 0.131 0.000 1.062 961 A CA 0.173 52.270 52.037 0.100 0.000 0.758 961 A CB 0.097 19.139 19.000 0.070 0.000 0.995 961 A HN 0.822 nan 8.150 nan 0.000 0.511 962 E N 1.791 122.026 120.200 0.060 0.000 2.376 962 E HA 0.298 4.647 4.350 -0.002 0.000 0.266 962 E C -1.790 174.723 176.600 -0.145 0.000 1.009 962 E CA -0.953 55.437 56.400 -0.016 0.000 0.902 962 E CB 0.344 30.041 29.700 -0.006 0.000 0.972 962 E HN 0.513 nan 8.360 nan 0.000 0.439 963 P HA 0.038 nan 4.420 nan 0.000 0.271 963 P C -0.485 176.691 177.300 -0.207 0.000 1.233 963 P CA 0.111 62.944 63.100 -0.444 0.000 0.789 963 P CB 0.739 31.955 31.700 -0.807 0.000 0.951 964 N N -0.977 117.643 118.700 -0.134 0.000 2.168 964 N HA 0.027 4.766 4.740 -0.002 0.000 0.216 964 N C 1.443 176.921 175.510 -0.053 0.000 1.259 964 N CA -0.023 52.985 53.050 -0.071 0.000 0.902 964 N CB -0.285 38.175 38.487 -0.044 0.000 1.079 964 N HN 0.199 nan 8.380 nan 0.000 0.507 965 I N 0.014 120.548 120.570 -0.059 0.000 2.143 965 I HA -0.153 4.015 4.170 -0.002 0.000 0.245 965 I C 2.406 178.507 176.117 -0.027 0.000 1.068 965 I CA 1.797 63.076 61.300 -0.036 0.000 1.326 965 I CB -1.396 36.585 38.000 -0.031 0.000 1.028 965 I HN 0.066 nan 8.210 nan 0.000 0.412 966 G N 0.967 109.749 108.800 -0.030 0.000 2.649 966 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.220 966 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.220 966 G C 1.748 176.645 174.900 -0.005 0.000 1.189 966 G CA 1.632 46.725 45.100 -0.011 0.000 0.777 966 G HN 0.497 nan 8.290 nan 0.000 0.602 967 K N -0.340 120.054 120.400 -0.010 0.000 2.217 967 K HA 0.104 4.423 4.320 -0.002 0.000 0.202 967 K C 2.648 179.238 176.600 -0.018 0.000 1.051 967 K CA 0.705 56.986 56.287 -0.009 0.000 0.952 967 K CB -0.053 32.439 32.500 -0.013 0.000 0.736 967 K HN 0.285 nan 8.250 nan 0.000 0.453 968 V N 1.114 121.016 119.914 -0.020 0.000 2.255 968 V HA -0.174 3.945 4.120 -0.002 0.000 0.243 968 V C 2.152 178.232 176.094 -0.023 0.000 1.038 968 V CA 1.443 63.730 62.300 -0.022 0.000 1.008 968 V CB -0.329 31.482 31.823 -0.020 0.000 0.645 968 V HN 0.179 nan 8.190 nan 0.000 0.449 969 R N 0.320 120.808 120.500 -0.019 0.000 2.193 969 R HA 0.004 4.343 4.340 -0.002 0.000 0.229 969 R C 2.140 178.425 176.300 -0.025 0.000 1.110 969 R CA 1.308 57.396 56.100 -0.020 0.000 0.988 969 R CB -1.238 29.053 30.300 -0.015 0.000 0.871 969 R HN 0.571 nan 8.270 nan 0.000 0.458 970 A N 0.358 123.166 122.820 -0.021 0.000 1.874 970 A HA -0.090 4.228 4.320 -0.002 0.000 0.214 970 A C 2.154 179.714 177.584 -0.039 0.000 1.189 970 A CA 1.190 53.214 52.037 -0.022 0.000 0.615 970 A CB -0.279 18.721 19.000 -0.000 0.000 0.830 970 A HN 0.206 nan 8.150 nan 0.000 0.443 971 K N -0.644 119.732 120.400 -0.039 0.000 2.057 971 K HA -0.130 4.189 4.320 -0.002 0.000 0.207 971 K C 1.883 178.447 176.600 -0.059 0.000 1.049 971 K CA 1.325 57.581 56.287 -0.052 0.000 0.931 971 K CB -0.327 32.146 32.500 -0.045 0.000 0.714 971 K HN 0.345 nan 8.250 nan 0.000 0.440 972 L N 1.841 123.035 121.223 -0.049 0.000 1.934 972 L HA -0.294 4.045 4.340 -0.002 0.000 0.227 972 L C 1.512 178.343 176.870 -0.066 0.000 1.084 972 L CA 2.347 57.157 54.840 -0.050 0.000 0.790 972 L CB -0.678 41.358 42.059 -0.038 0.000 0.896 972 L HN 0.225 nan 8.230 nan 0.000 0.437 973 D N -0.889 119.472 120.400 -0.064 0.000 2.248 973 D HA -0.282 4.357 4.640 -0.002 0.000 0.191 973 D C 2.394 178.622 176.300 -0.121 0.000 1.013 973 D CA 1.723 55.675 54.000 -0.080 0.000 0.883 973 D CB -0.396 40.361 40.800 -0.071 0.000 0.915 973 D HN 0.515 nan 8.370 nan 0.000 0.448 974 S N -0.803 114.818 115.700 -0.131 0.000 2.428 974 S HA -0.113 4.356 4.470 -0.002 0.000 0.230 974 S C 1.623 176.094 174.600 -0.215 0.000 1.014 974 S CA 0.923 59.008 58.200 -0.193 0.000 0.957 974 S CB 0.009 63.120 63.200 -0.148 0.000 0.784 974 S HN 0.306 nan 8.310 nan 0.000 0.499 975 Q N -0.287 119.422 119.800 -0.152 0.000 2.392 975 Q HA 0.369 4.708 4.340 -0.002 0.000 0.219 975 Q C 2.375 178.303 176.000 -0.120 0.000 0.895 975 Q CA 0.569 56.288 55.803 -0.140 0.000 0.929 975 Q CB -0.029 28.649 28.738 -0.101 0.000 1.077 975 Q HN 0.655 nan 8.270 nan 0.000 0.532 976 A N 1.174 123.931 122.820 -0.104 0.000 1.855 976 A HA -0.018 4.301 4.320 -0.002 0.000 0.215 976 A C 1.037 178.572 177.584 -0.082 0.000 1.191 976 A CA 0.746 52.737 52.037 -0.077 0.000 0.613 976 A CB -0.102 18.861 19.000 -0.062 0.000 0.829 976 A HN 0.338 nan 8.150 nan 0.000 0.442 977 L N 0.203 121.358 121.223 -0.113 0.000 2.325 977 L HA 0.514 4.853 4.340 -0.002 0.000 0.281 977 L C -0.356 176.380 176.870 -0.225 0.000 1.004 977 L CA -0.833 53.940 54.840 -0.111 0.000 0.823 977 L CB 1.238 43.252 42.059 -0.076 0.000 1.236 977 L HN 0.422 nan 8.230 nan 0.000 0.415 978 R N 4.882 125.240 120.500 -0.236 0.000 2.621 978 R HA 0.423 4.762 4.340 -0.002 0.000 0.292 978 R C -1.976 174.116 176.300 -0.348 0.000 0.969 978 R CA -0.568 55.278 56.100 -0.423 0.000 0.887 978 R CB 1.517 31.562 30.300 -0.425 0.000 1.180 978 R HN 0.503 nan 8.270 nan 0.000 0.450 979 F N 2.462 122.323 119.950 -0.148 0.000 2.404 979 F HA 0.466 4.992 4.527 -0.002 0.000 0.354 979 F C -1.228 174.526 175.800 -0.077 0.000 1.122 979 F CA -1.760 56.221 58.000 -0.032 0.000 1.080 979 F CB 0.158 39.183 39.000 0.042 0.000 1.131 979 F HN 0.213 nan 8.300 nan 0.000 0.471 980 Y N 3.027 123.461 120.300 0.224 0.000 2.326 980 Y HA 0.655 5.203 4.550 -0.002 0.000 0.337 980 Y C -2.682 173.284 175.900 0.110 0.000 1.023 980 Y CA -3.744 54.439 58.100 0.138 0.000 1.143 980 Y CB 0.887 39.396 38.460 0.082 0.000 1.183 980 Y HN 0.400 nan 8.280 nan 0.000 0.485 981 P HA 0.408 nan 4.420 nan 0.000 0.307 981 P C -1.155 176.198 177.300 0.088 0.000 1.450 981 P CA -0.729 62.442 63.100 0.118 0.000 1.026 981 P CB 2.039 33.770 31.700 0.051 0.000 1.040 982 T N 2.704 117.296 114.554 0.064 0.000 2.840 982 T HA 0.529 4.877 4.350 -0.002 0.000 0.287 982 T C -0.267 174.447 174.700 0.023 0.000 0.991 982 T CA -0.595 61.531 62.100 0.042 0.000 0.964 982 T CB 1.380 70.272 68.868 0.039 0.000 0.954 982 T HN 0.268 nan 8.240 nan 0.000 0.438 1094 A N 1.087 123.944 122.820 0.061 0.000 2.478 1094 A HA 0.636 4.955 4.320 -0.002 0.000 0.327 1094 A C 0.384 178.057 177.584 0.147 0.000 1.431 1094 A CA 0.244 52.352 52.037 0.118 0.000 1.014 1094 A CB -0.005 19.071 19.000 0.127 0.000 1.143 1094 A HN 0.448 nan 8.150 nan 0.000 0.532 1095 D N 1.260 121.758 120.400 0.162 0.000 2.338 1095 D HA -0.068 4.571 4.640 -0.002 0.000 0.208 1095 D C 1.397 177.807 176.300 0.183 0.000 0.997 1095 D CA 0.495 54.578 54.000 0.138 0.000 0.880 1095 D CB -0.084 40.778 40.800 0.103 0.000 0.980 1095 D HN 0.878 nan 8.370 nan 0.000 0.509 1096 W N 1.414 122.723 121.300 0.014 0.000 2.341 1096 W HA -0.152 4.506 4.660 -0.002 0.000 0.283 1096 W C 1.587 178.115 176.519 0.016 0.000 1.215 1096 W CA 0.915 58.268 57.345 0.014 0.000 1.211 1096 W CB -0.116 29.350 29.460 0.011 0.000 1.131 1096 W HN -0.062 nan 8.180 nan 0.000 0.552 1097 L N 0.467 121.944 121.223 0.423 0.000 2.395 1097 L HA -0.104 4.234 4.340 -0.002 0.000 0.218 1097 L C 2.386 179.270 176.870 0.023 0.000 1.130 1097 L CA 1.414 56.390 54.840 0.227 0.000 0.826 1097 L CB -0.287 41.973 42.059 0.335 0.000 0.941 1097 L HN -0.085 nan 8.230 nan 0.000 0.451 1098 S N -0.992 114.725 115.700 0.029 0.000 2.388 1098 S HA -0.126 4.342 4.470 -0.002 0.000 0.223 1098 S C 1.740 176.313 174.600 -0.045 0.000 1.034 1098 S CA 0.744 58.947 58.200 0.006 0.000 0.963 1098 S CB -0.107 63.112 63.200 0.032 0.000 0.827 1098 S HN 0.314 nan 8.310 nan 0.000 0.481 1099 E N 2.198 122.345 120.200 -0.089 0.000 2.274 1099 E HA 0.129 4.478 4.350 -0.002 0.000 0.194 1099 E C 1.694 178.166 176.600 -0.212 0.000 0.996 1099 E CA 0.911 57.236 56.400 -0.124 0.000 0.840 1099 E CB -0.388 29.243 29.700 -0.115 0.000 0.772 1099 E HN 0.458 nan 8.360 nan 0.000 0.491 1100 A N 0.011 122.625 122.820 -0.344 0.000 2.169 1100 A HA 0.050 4.369 4.320 -0.002 0.000 0.212 1100 A C 1.779 179.244 177.584 -0.199 0.000 1.153 1100 A CA 0.348 52.148 52.037 -0.396 0.000 0.756 1100 A CB -0.077 18.462 19.000 -0.767 0.000 0.813 1100 A HN -0.024 nan 8.150 nan 0.000 0.471 1101 R N -0.079 120.353 120.500 -0.113 0.000 2.334 1101 R HA 0.158 4.497 4.340 -0.002 0.000 0.220 1101 R C 1.083 177.405 176.300 0.038 0.000 0.917 1101 R CA 0.142 56.230 56.100 -0.019 0.000 1.073 1101 R CB -0.129 30.179 30.300 0.013 0.000 1.056 1101 R HN 0.549 nan 8.270 nan 0.000 0.506 1102 K N 0.812 121.205 120.400 -0.011 0.000 1.984 1102 K HA 0.007 4.325 4.320 -0.002 0.000 0.209 1102 K C -1.315 175.236 176.600 -0.082 0.000 1.046 1102 K CA 0.616 56.901 56.287 -0.002 0.000 0.934 1102 K CB -1.036 31.434 32.500 -0.051 0.000 0.717 1102 K HN 0.123 nan 8.250 nan 0.000 0.438 1103 P HA -0.093 nan 4.420 nan 0.000 0.261 1103 P C -0.879 176.387 177.300 -0.058 0.000 1.183 1103 P CA 0.654 63.645 63.100 -0.182 0.000 0.761 1103 P CB -0.085 31.550 31.700 -0.109 0.000 0.785 1104 F N 0.901 120.842 119.950 -0.016 0.000 2.518 1104 F HA 0.447 4.973 4.527 -0.002 0.000 0.323 1104 F C -0.375 175.421 175.800 -0.006 0.000 1.129 1104 F CA -1.876 56.118 58.000 -0.010 0.000 0.920 1104 F CB 0.847 39.842 39.000 -0.008 0.000 1.160 1104 F HN -0.052 nan 8.300 nan 0.000 0.440 1105 V N 4.213 124.268 119.914 0.236 0.000 2.838 1105 V HA 0.121 4.240 4.120 -0.002 0.000 0.356 1105 V C 0.067 176.231 176.094 0.116 0.000 1.302 1105 V CA -0.447 61.940 62.300 0.145 0.000 1.495 1105 V CB -0.009 31.866 31.823 0.086 0.000 1.505 1105 V HN 0.670 nan 8.190 nan 0.000 0.574 1106 V N 1.762 121.756 119.914 0.132 0.000 2.364 1106 V HA 0.235 4.354 4.120 -0.002 0.000 0.252 1106 V C 0.128 176.233 176.094 0.017 0.000 1.075 1106 V CA 0.203 62.511 62.300 0.013 0.000 1.033 1106 V CB 0.490 32.231 31.823 -0.137 0.000 1.116 1106 V HN 0.303 nan 8.190 nan 0.000 0.488 1107 V N 3.353 123.276 119.914 0.016 0.000 2.841 1107 V HA 0.395 4.513 4.120 -0.002 0.000 0.310 1107 V C 0.385 176.483 176.094 0.006 0.000 1.090 1107 V CA -0.558 61.750 62.300 0.014 0.000 0.930 1107 V CB 2.676 34.511 31.823 0.020 0.000 1.014 1107 V HN 0.816 nan 8.190 nan 0.000 0.425 1108 S N 3.180 118.883 115.700 0.005 0.000 2.527 1108 S HA 0.022 4.491 4.470 -0.002 0.000 0.274 1108 S C 0.661 175.271 174.600 0.016 0.000 1.349 1108 S CA 0.242 58.448 58.200 0.011 0.000 1.011 1108 S CB 0.080 63.291 63.200 0.017 0.000 0.837 1108 S HN 0.555 nan 8.310 nan 0.000 0.524 1109 L N 0.787 122.022 121.223 0.020 0.000 2.769 1109 L HA 0.257 4.596 4.340 -0.002 0.000 0.240 1109 L C 0.219 177.107 176.870 0.030 0.000 1.163 1109 L CA 0.355 55.205 54.840 0.016 0.000 0.962 1109 L CB -0.166 41.897 42.059 0.007 0.000 1.258 1109 L HN 0.646 nan 8.230 nan 0.000 0.513 1110 E N -0.045 120.192 120.200 0.061 0.000 2.874 1110 E HA 0.389 4.738 4.350 -0.002 0.000 0.320 1110 E C -0.810 175.918 176.600 0.214 0.000 1.141 1110 E CA -0.268 56.199 56.400 0.111 0.000 0.774 1110 E CB 1.012 30.766 29.700 0.091 0.000 1.542 1110 E HN 0.038 nan 8.360 nan 0.000 0.380 1111 S N 1.175 116.968 115.700 0.157 0.000 2.288 1111 S HA 0.250 4.719 4.470 -0.002 0.000 0.258 1111 S C -1.035 173.456 174.600 -0.181 0.000 0.919 1111 S CA -0.944 57.269 58.200 0.021 0.000 1.010 1111 S CB 0.605 63.825 63.200 0.034 0.000 1.231 1111 S HN 0.270 nan 8.310 nan 0.000 0.403 1112 D N 2.361 122.484 120.400 -0.462 0.000 2.570 1112 D HA 0.874 5.513 4.640 -0.002 0.000 0.266 1112 D C 0.357 176.418 176.300 -0.398 0.000 1.182 1112 D CA -0.374 53.440 54.000 -0.310 0.000 1.088 1112 D CB 0.476 41.194 40.800 -0.136 0.000 1.186 1112 D HN 1.017 nan 8.370 nan 0.000 0.618 1113 S N -1.960 113.586 115.700 -0.257 0.000 2.627 1113 S HA 0.364 4.833 4.470 -0.002 0.000 0.268 1113 S C -1.347 173.169 174.600 -0.140 0.000 1.130 1113 S CA -1.119 56.944 58.200 -0.228 0.000 0.819 1113 S CB -0.132 62.932 63.200 -0.227 0.000 1.100 1113 S HN 0.412 nan 8.310 nan 0.000 0.465 1114 L N 2.612 123.764 121.223 -0.117 0.000 2.467 1114 L HA 0.330 4.669 4.340 -0.002 0.000 0.270 1114 L C 1.249 178.078 176.870 -0.068 0.000 1.205 1114 L CA -0.301 54.494 54.840 -0.074 0.000 0.828 1114 L CB 0.484 42.513 42.059 -0.051 0.000 1.101 1114 L HN 1.004 nan 8.230 nan 0.000 0.479 1115 T N -1.309 113.214 114.554 -0.051 0.000 2.906 1115 T HA -0.052 4.297 4.350 -0.002 0.000 0.320 1115 T C 1.107 175.789 174.700 -0.029 0.000 1.088 1115 T CA -0.520 61.556 62.100 -0.040 0.000 1.120 1115 T CB 0.805 69.653 68.868 -0.034 0.000 1.000 1115 T HN 0.708 nan 8.240 nan 0.000 0.550 1116 K N 1.475 121.861 120.400 -0.022 0.000 2.107 1116 K HA -0.265 4.054 4.320 -0.002 0.000 0.211 1116 K C 2.150 178.751 176.600 0.000 0.000 1.049 1116 K CA 2.049 58.331 56.287 -0.007 0.000 0.927 1116 K CB -1.037 31.460 32.500 -0.006 0.000 0.714 1116 K HN 0.819 nan 8.250 nan 0.000 0.452 1117 A N 0.382 123.198 122.820 -0.006 0.000 1.855 1117 A HA -0.059 4.260 4.320 -0.002 0.000 0.213 1117 A C 2.328 179.911 177.584 -0.002 0.000 1.195 1117 A CA 1.719 53.754 52.037 -0.003 0.000 0.610 1117 A CB -0.869 18.126 19.000 -0.007 0.000 0.837 1117 A HN 0.417 nan 8.150 nan 0.000 0.444 1118 S N -1.099 114.595 115.700 -0.011 0.000 2.413 1118 S HA -0.255 4.214 4.470 -0.002 0.000 0.237 1118 S C 1.980 176.580 174.600 -0.001 0.000 1.044 1118 S CA 2.043 60.236 58.200 -0.011 0.000 1.024 1118 S CB -0.386 62.800 63.200 -0.023 0.000 0.829 1118 S HN 0.576 nan 8.310 nan 0.000 0.475 1119 M N 0.290 119.894 119.600 0.006 0.000 2.160 1119 M HA 0.032 4.511 4.480 -0.002 0.000 0.264 1119 M C 2.152 178.477 176.300 0.041 0.000 1.073 1119 M CA 1.364 56.681 55.300 0.029 0.000 1.142 1119 M CB -0.312 32.312 32.600 0.040 0.000 1.358 1119 M HN 0.333 nan 8.290 nan 0.000 0.422 1120 A N 0.230 123.070 122.820 0.033 0.000 1.940 1120 A HA -0.113 4.206 4.320 -0.002 0.000 0.219 1120 A C 2.235 179.834 177.584 0.025 0.000 1.176 1120 A CA 1.933 53.988 52.037 0.031 0.000 0.631 1120 A CB -1.151 17.862 19.000 0.023 0.000 0.814 1120 A HN 0.617 nan 8.150 nan 0.000 0.446 1121 A N -0.560 122.271 122.820 0.018 0.000 1.902 1121 A HA 0.006 4.325 4.320 -0.002 0.000 0.217 1121 A C 2.231 179.825 177.584 0.017 0.000 1.181 1121 A CA 1.776 53.821 52.037 0.014 0.000 0.623 1121 A CB -0.926 18.077 19.000 0.006 0.000 0.818 1121 A HN 0.401 nan 8.150 nan 0.000 0.443 1122 V N 0.009 119.934 119.914 0.019 0.000 2.295 1122 V HA -0.275 3.844 4.120 -0.002 0.000 0.246 1122 V C 2.535 178.647 176.094 0.031 0.000 1.049 1122 V CA 2.323 64.635 62.300 0.019 0.000 1.024 1122 V CB -0.751 31.085 31.823 0.022 0.000 0.648 1122 V HN 0.733 nan 8.190 nan 0.000 0.447 1123 E N -0.101 120.123 120.200 0.041 0.000 2.051 1123 E HA -0.240 4.109 4.350 -0.002 0.000 0.192 1123 E C 2.476 179.102 176.600 0.043 0.000 0.991 1123 E CA 1.559 57.986 56.400 0.045 0.000 0.799 1123 E CB -0.180 29.547 29.700 0.045 0.000 0.748 1123 E HN 0.517 nan 8.360 nan 0.000 0.449 1124 S N 0.292 116.013 115.700 0.036 0.000 2.368 1124 S HA -0.231 4.238 4.470 -0.002 0.000 0.225 1124 S C 1.917 176.542 174.600 0.043 0.000 1.030 1124 S CA 1.779 60.000 58.200 0.034 0.000 0.999 1124 S CB -0.264 62.952 63.200 0.027 0.000 0.844 1124 S HN 0.342 nan 8.310 nan 0.000 0.459 1125 E N 1.099 121.323 120.200 0.041 0.000 2.051 1125 E HA -0.087 4.262 4.350 -0.002 0.000 0.192 1125 E C 1.923 178.573 176.600 0.084 0.000 0.991 1125 E CA 1.482 57.913 56.400 0.051 0.000 0.799 1125 E CB -0.503 29.214 29.700 0.028 0.000 0.748 1125 E HN 0.473 nan 8.360 nan 0.000 0.449 1126 I N 1.130 121.744 120.570 0.074 0.000 2.163 1126 I HA -0.263 3.905 4.170 -0.002 0.000 0.243 1126 I C 2.467 178.676 176.117 0.153 0.000 1.085 1126 I CA 1.244 62.615 61.300 0.118 0.000 1.347 1126 I CB -0.960 37.087 38.000 0.079 0.000 1.044 1126 I HN 0.291 nan 8.210 nan 0.000 0.408 1127 I N 0.664 121.293 120.570 0.098 0.000 2.151 1127 I HA -0.370 3.799 4.170 -0.002 0.000 0.243 1127 I C 2.707 178.872 176.117 0.080 0.000 1.080 1127 I CA 1.548 62.894 61.300 0.077 0.000 1.339 1127 I CB -0.605 37.425 38.000 0.050 0.000 1.039 1127 I HN 0.307 nan 8.210 nan 0.000 0.409 1128 K N 1.129 121.580 120.400 0.086 0.000 2.002 1128 K HA -0.277 4.042 4.320 -0.002 0.000 0.209 1128 K C 2.376 179.036 176.600 0.100 0.000 1.048 1128 K CA 1.918 58.251 56.287 0.077 0.000 0.930 1128 K CB -0.793 31.750 32.500 0.071 0.000 0.714 1128 K HN 0.268 nan 8.250 nan 0.000 0.438 1129 Y N 1.461 121.773 120.300 0.021 0.000 2.151 1129 Y HA -0.226 4.323 4.550 -0.002 0.000 0.284 1129 Y C 2.132 178.047 175.900 0.025 0.000 1.166 1129 Y CA 1.827 59.941 58.100 0.023 0.000 1.163 1129 Y CB -0.453 38.024 38.460 0.027 0.000 0.974 1129 Y HN -0.065 nan 8.280 nan 0.000 0.511 1130 V N 0.182 120.141 119.914 0.075 0.000 3.141 1130 V HA -0.132 3.986 4.120 -0.002 0.000 0.265 1130 V C 2.055 178.099 176.094 -0.083 0.000 1.126 1130 V CA 1.714 64.000 62.300 -0.024 0.000 1.141 1130 V CB -0.644 31.251 31.823 0.120 0.000 0.743 1130 V HN 0.687 nan 8.190 nan 0.000 0.492 1131 S N -1.138 114.525 115.700 -0.063 0.000 2.556 1131 S HA 0.263 4.732 4.470 -0.002 0.000 0.216 1131 S C 0.599 175.153 174.600 -0.077 0.000 0.970 1131 S CA -0.252 57.918 58.200 -0.050 0.000 0.912 1131 S CB -0.236 62.956 63.200 -0.015 0.000 0.790 1131 S HN 0.399 nan 8.310 nan 0.000 0.504 1132 L N 2.802 123.941 121.223 -0.141 0.000 2.417 1132 L HA 0.383 4.722 4.340 -0.002 0.000 0.268 1132 L C -1.968 174.823 176.870 -0.132 0.000 1.158 1132 L CA -2.010 52.748 54.840 -0.136 0.000 0.819 1132 L CB 0.004 41.959 42.059 -0.174 0.000 1.112 1132 L HN 0.124 nan 8.230 nan 0.000 0.458 1133 P HA 0.091 nan 4.420 nan 0.000 0.266 1133 P C -1.010 176.242 177.300 -0.081 0.000 1.195 1133 P CA 0.117 63.177 63.100 -0.066 0.000 0.768 1133 P CB 1.005 32.681 31.700 -0.039 0.000 0.838 1134 D N -0.479 119.883 120.400 -0.063 0.000 2.643 1134 D HA 0.594 5.233 4.640 -0.002 0.000 0.283 1134 D C -1.032 175.253 176.300 -0.024 0.000 1.242 1134 D CA -0.394 53.575 54.000 -0.052 0.000 0.863 1134 D CB 2.216 42.971 40.800 -0.075 0.000 1.382 1134 D HN 0.269 nan 8.370 nan 0.000 0.444 1135 S N -0.860 114.833 115.700 -0.011 0.000 2.930 1135 S HA 0.759 5.228 4.470 -0.002 0.000 0.306 1135 S C -1.750 172.852 174.600 0.004 0.000 1.238 1135 S CA 0.042 58.242 58.200 -0.001 0.000 1.000 1135 S CB 0.342 63.543 63.200 0.002 0.000 1.342 1135 S HN 0.759 nan 8.310 nan 0.000 0.575 1136 S N 0.066 115.771 115.700 0.009 0.000 2.579 1136 S HA 0.756 5.225 4.470 -0.002 0.000 0.272 1136 S C -0.893 173.720 174.600 0.022 0.000 1.141 1136 S CA -0.617 57.589 58.200 0.009 0.000 0.843 1136 S CB 1.855 65.060 63.200 0.008 0.000 1.122 1136 S HN 0.855 nan 8.310 nan 0.000 0.468 1137 E N -0.160 120.059 120.200 0.032 0.000 2.518 1137 E HA 0.530 4.879 4.350 -0.002 0.000 0.241 1137 E C -1.139 175.516 176.600 0.092 0.000 0.899 1137 E CA -0.749 55.697 56.400 0.076 0.000 0.888 1137 E CB 1.467 31.247 29.700 0.133 0.000 1.426 1137 E HN 0.716 nan 8.360 nan 0.000 0.401 1138 Q N 1.397 121.281 119.800 0.141 0.000 3.105 1138 Q HA 0.088 4.427 4.340 -0.002 0.000 0.214 1138 Q C -1.231 174.798 176.000 0.049 0.000 0.633 1138 Q CA -0.087 55.778 55.803 0.103 0.000 1.016 1138 Q CB 0.337 29.101 28.738 0.042 0.000 1.510 1138 Q HN 0.439 nan 8.270 nan 0.000 0.353 1139 K N 0.744 121.159 120.400 0.025 0.000 2.443 1139 K HA -0.047 4.272 4.320 -0.002 0.000 0.268 1139 K C 0.049 176.542 176.600 -0.179 0.000 0.971 1139 K CA 0.582 56.729 56.287 -0.233 0.000 0.902 1139 K CB 0.554 32.583 32.500 -0.784 0.000 0.950 1139 K HN 0.055 nan 8.250 nan 0.000 0.525 1140 K N 3.281 123.569 120.400 -0.188 0.000 3.163 1140 K HA 0.197 4.515 4.320 -0.002 0.000 0.186 1140 K C -0.429 176.083 176.600 -0.147 0.000 1.111 1140 K CA -0.275 55.930 56.287 -0.138 0.000 0.918 1140 K CB -0.088 32.356 32.500 -0.094 0.000 1.059 1140 K HN 0.491 nan 8.250 nan 0.000 0.558 1141 L N 1.112 122.222 121.223 -0.188 0.000 2.516 1141 L HA 0.005 4.344 4.340 -0.002 0.000 0.288 1141 L C 0.491 177.301 176.870 -0.099 0.000 1.246 1141 L CA 0.432 55.179 54.840 -0.155 0.000 0.844 1141 L CB 0.471 42.420 42.059 -0.183 0.000 1.106 1141 L HN 0.414 nan 8.230 nan 0.000 0.509 1142 A N 2.047 124.827 122.820 -0.066 0.000 2.593 1142 A HA 0.525 4.844 4.320 -0.002 0.000 0.290 1142 A C -0.052 177.519 177.584 -0.022 0.000 1.126 1142 A CA -0.611 51.398 52.037 -0.047 0.000 0.695 1142 A CB 1.383 20.355 19.000 -0.046 0.000 1.290 1142 A HN 0.666 nan 8.150 nan 0.000 0.414 1143 K N -0.603 119.789 120.400 -0.014 0.000 3.117 1143 K HA -0.111 4.208 4.320 -0.002 0.000 0.269 1143 K C -0.785 175.816 176.600 0.001 0.000 1.098 1143 K CA 0.673 56.960 56.287 -0.001 0.000 0.785 1143 K CB -1.582 30.919 32.500 0.001 0.000 1.242 1143 K HN 0.650 nan 8.250 nan 0.000 0.491 1144 V N 2.313 122.227 119.914 0.001 0.000 2.385 1144 V HA 0.243 4.362 4.120 -0.002 0.000 0.269 1144 V C -1.389 174.694 176.094 -0.019 0.000 1.043 1144 V CA -1.232 61.072 62.300 0.006 0.000 0.906 1144 V CB 1.019 32.866 31.823 0.039 0.000 0.995 1144 V HN 0.206 nan 8.190 nan 0.000 0.467 1145 P HA 0.212 nan 4.420 nan 0.000 0.272 1145 P C 0.438 177.690 177.300 -0.080 0.000 1.240 1145 P CA -0.335 62.734 63.100 -0.051 0.000 0.791 1145 P CB 1.234 32.888 31.700 -0.076 0.000 0.978 1146 R N 0.514 120.977 120.500 -0.062 0.000 2.148 1146 R HA -0.102 4.237 4.340 -0.002 0.000 0.227 1146 R C 1.863 178.096 176.300 -0.112 0.000 1.103 1146 R CA 1.213 57.250 56.100 -0.104 0.000 0.983 1146 R CB -0.196 30.135 30.300 0.051 0.000 0.874 1146 R HN 0.575 nan 8.270 nan 0.000 0.451 1147 E N 0.199 120.350 120.200 -0.081 0.000 2.516 1147 E HA -0.082 4.266 4.350 -0.002 0.000 0.199 1147 E C 0.982 177.507 176.600 -0.125 0.000 1.069 1147 E CA 0.842 57.193 56.400 -0.083 0.000 0.876 1147 E CB 0.047 29.701 29.700 -0.076 0.000 0.843 1147 E HN 0.292 nan 8.360 nan 0.000 0.530 1148 A N 0.419 123.143 122.820 -0.159 0.000 2.308 1148 A HA 0.295 4.614 4.320 -0.002 0.000 0.217 1148 A C 0.504 177.964 177.584 -0.207 0.000 1.216 1148 A CA -0.166 51.746 52.037 -0.209 0.000 0.864 1148 A CB 0.138 19.029 19.000 -0.182 0.000 0.902 1148 A HN 0.116 nan 8.150 nan 0.000 0.499 1149 I N 0.077 120.548 120.570 -0.165 0.000 2.785 1149 I HA 0.657 4.826 4.170 -0.002 0.000 0.302 1149 I C -1.144 174.927 176.117 -0.077 0.000 1.069 1149 I CA -1.763 59.442 61.300 -0.159 0.000 1.045 1149 I CB 2.182 39.971 38.000 -0.351 0.000 1.236 1149 I HN 0.227 nan 8.210 nan 0.000 0.429 1150 L N 3.898 125.127 121.223 0.010 0.000 2.518 1150 L HA 0.669 5.008 4.340 -0.002 0.000 0.257 1150 L C -1.370 175.605 176.870 0.174 0.000 0.980 1150 L CA -0.680 54.237 54.840 0.128 0.000 0.837 1150 L CB 1.751 43.851 42.059 0.070 0.000 1.410 1150 L HN 0.349 nan 8.230 nan 0.000 0.410 1151 N N 1.529 120.362 118.700 0.222 0.000 2.420 1151 N HA 0.446 5.185 4.740 -0.002 0.000 0.249 1151 N C 0.771 176.285 175.510 0.007 0.000 1.033 1151 N CA 0.416 53.537 53.050 0.117 0.000 0.944 1151 N CB 2.055 40.593 38.487 0.086 0.000 1.113 1151 N HN 0.977 nan 8.380 nan 0.000 0.502 1152 A N 2.557 125.368 122.820 -0.016 0.000 1.969 1152 A HA -0.134 4.184 4.320 -0.002 0.000 0.218 1152 A C 1.891 179.363 177.584 -0.186 0.000 1.169 1152 A CA 0.932 52.928 52.037 -0.068 0.000 0.635 1152 A CB -0.245 18.730 19.000 -0.042 0.000 0.810 1152 A HN 0.710 nan 8.150 nan 0.000 0.445 1153 E N 0.460 120.548 120.200 -0.186 0.000 2.114 1153 E HA -0.205 4.144 4.350 -0.002 0.000 0.199 1153 E C 1.359 177.585 176.600 -0.623 0.000 1.008 1153 E CA 1.726 57.928 56.400 -0.329 0.000 0.810 1153 E CB -0.095 29.488 29.700 -0.194 0.000 0.739 1153 E HN 0.690 nan 8.360 nan 0.000 0.456 1154 S N -1.179 114.276 115.700 -0.408 0.000 2.588 1154 S HA 0.264 4.733 4.470 -0.002 0.000 0.245 1154 S C 0.371 174.836 174.600 -0.224 0.000 1.021 1154 S CA -0.515 57.449 58.200 -0.394 0.000 1.006 1154 S CB 0.928 63.925 63.200 -0.339 0.000 0.830 1154 S HN -0.052 nan 8.310 nan 0.000 0.468 1155 S N 0.502 116.042 115.700 -0.267 0.000 2.855 1155 S HA 0.339 4.808 4.470 -0.002 0.000 0.249 1155 S C 0.503 175.107 174.600 0.007 0.000 1.033 1155 S CA -0.695 57.464 58.200 -0.069 0.000 1.038 1155 S CB -0.363 62.826 63.200 -0.018 0.000 0.960 1155 S HN 0.623 nan 8.310 nan 0.000 0.548 1156 Y N 0.787 121.049 120.300 -0.062 0.000 2.069 1156 Y HA -0.252 4.297 4.550 -0.002 0.000 0.278 1156 Y C 2.472 178.347 175.900 -0.041 0.000 1.175 1156 Y CA 0.996 59.041 58.100 -0.091 0.000 1.134 1156 Y CB -0.313 38.083 38.460 -0.105 0.000 0.965 1156 Y HN 0.175 nan 8.280 nan 0.000 0.498 1157 V N -0.416 119.585 119.914 0.146 0.000 2.453 1157 V HA -0.262 3.857 4.120 -0.002 0.000 0.247 1157 V C 2.158 178.293 176.094 0.068 0.000 1.048 1157 V CA 1.259 63.611 62.300 0.087 0.000 1.049 1157 V CB -0.588 31.271 31.823 0.060 0.000 0.672 1157 V HN 0.304 nan 8.190 nan 0.000 0.457 1158 L N -0.171 121.091 121.223 0.065 0.000 2.017 1158 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 1158 L C 2.167 179.072 176.870 0.058 0.000 1.073 1158 L CA 1.942 56.811 54.840 0.049 0.000 0.745 1158 L CB -0.636 41.447 42.059 0.040 0.000 0.894 1158 L HN 0.205 nan 8.230 nan 0.000 0.432 1159 L N -0.891 120.377 121.223 0.075 0.000 2.191 1159 L HA -0.171 4.168 4.340 -0.002 0.000 0.212 1159 L C 2.553 179.509 176.870 0.144 0.000 1.103 1159 L CA 1.010 55.910 54.840 0.099 0.000 0.769 1159 L CB -0.427 41.687 42.059 0.092 0.000 0.908 1159 L HN 0.244 nan 8.230 nan 0.000 0.438 1160 R N -0.448 120.116 120.500 0.107 0.000 2.276 1160 R HA -0.057 4.282 4.340 -0.002 0.000 0.203 1160 R C 2.385 178.744 176.300 0.098 0.000 1.017 1160 R CA 1.094 57.258 56.100 0.106 0.000 1.010 1160 R CB -0.176 30.154 30.300 0.051 0.000 0.900 1160 R HN 0.416 nan 8.270 nan 0.000 0.469 1161 S N 0.168 115.910 115.700 0.069 0.000 2.496 1161 S HA -0.045 4.424 4.470 -0.002 0.000 0.224 1161 S C 0.686 175.293 174.600 0.012 0.000 0.996 1161 S CA -0.129 58.093 58.200 0.037 0.000 0.927 1161 S CB 0.060 63.274 63.200 0.024 0.000 0.774 1161 S HN 0.224 nan 8.310 nan 0.000 0.524 1162 Q N 1.976 121.783 119.800 0.012 0.000 2.349 1162 Q HA 0.188 4.527 4.340 -0.002 0.000 0.287 1162 Q C -0.059 175.851 176.000 -0.149 0.000 1.044 1162 Q CA -0.037 55.684 55.803 -0.135 0.000 0.918 1162 Q CB 0.398 28.940 28.738 -0.327 0.000 1.242 1162 Q HN 0.557 nan 8.270 nan 0.000 0.405 1163 R N 1.054 121.407 120.500 -0.245 0.000 2.615 1163 R HA 0.491 4.830 4.340 -0.002 0.000 0.270 1163 R C -0.865 175.099 176.300 -0.560 0.000 1.081 1163 R CA -0.111 55.805 56.100 -0.307 0.000 1.154 1163 R CB 0.485 30.604 30.300 -0.301 0.000 1.063 1163 R HN 0.344 nan 8.270 nan 0.000 0.519 1164 F N 0.084 119.738 119.950 -0.493 0.000 2.565 1164 F HA 0.414 4.940 4.527 -0.002 0.000 0.313 1164 F C 0.168 175.672 175.800 -0.494 0.000 1.091 1164 F CA -0.655 57.120 58.000 -0.375 0.000 0.915 1164 F CB 1.925 40.814 39.000 -0.186 0.000 1.208 1164 F HN 0.406 nan 8.300 nan 0.000 0.453 1165 H N 2.782 121.978 119.070 0.210 0.000 2.747 1165 H HA 0.408 4.963 4.556 -0.002 0.000 0.371 1165 H C -0.417 175.057 175.328 0.243 0.000 1.161 1165 H CA -0.988 55.201 56.048 0.235 0.000 1.167 1165 H CB 2.200 32.040 29.762 0.129 0.000 1.732 1165 H HN 0.387 nan 8.280 nan 0.000 0.544 1166 L N 1.111 122.557 121.223 0.372 0.000 2.628 1166 L HA -0.152 4.187 4.340 -0.002 0.000 0.292 1166 L C 1.529 178.483 176.870 0.141 0.000 1.250 1166 L CA 1.672 56.621 54.840 0.182 0.000 0.892 1166 L CB -0.094 42.022 42.059 0.095 0.000 1.138 1166 L HN 1.163 nan 8.230 nan 0.000 0.502 1167 G N 2.275 111.129 108.800 0.089 0.000 2.640 1167 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.226 1167 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.226 1167 G C 0.249 175.195 174.900 0.076 0.000 1.222 1167 G CA 0.139 45.276 45.100 0.061 0.000 0.729 1167 G HN 0.650 nan 8.290 nan 0.000 0.516 1168 D N 2.175 122.650 120.400 0.124 0.000 2.836 1168 D HA 0.142 4.781 4.640 -0.002 0.000 0.220 1168 D C 1.127 177.491 176.300 0.106 0.000 1.094 1168 D CA 0.595 54.672 54.000 0.128 0.000 0.820 1168 D CB 0.328 41.241 40.800 0.187 0.000 1.171 1168 D HN 0.322 nan 8.370 nan 0.000 0.507 1169 R N 1.583 122.131 120.500 0.080 0.000 2.340 1169 R HA 0.347 4.686 4.340 -0.002 0.000 0.300 1169 R C -0.177 176.195 176.300 0.120 0.000 1.069 1169 R CA -0.507 55.637 56.100 0.074 0.000 0.984 1169 R CB 0.743 31.072 30.300 0.048 0.000 1.003 1169 R HN 0.296 nan 8.270 nan 0.000 0.459 1170 V N 0.060 120.047 119.914 0.120 0.000 2.962 1170 V HA 0.630 4.749 4.120 -0.002 0.000 0.313 1170 V C -0.251 175.946 176.094 0.171 0.000 1.099 1170 V CA -1.160 61.246 62.300 0.177 0.000 0.971 1170 V CB 2.511 34.474 31.823 0.233 0.000 1.028 1170 V HN 0.709 nan 8.190 nan 0.000 0.430 1171 M N 3.405 123.132 119.600 0.212 0.000 2.383 1171 M HA 0.526 5.005 4.480 -0.002 0.000 0.325 1171 M C -1.602 174.889 176.300 0.318 0.000 1.092 1171 M CA -0.918 54.541 55.300 0.265 0.000 0.961 1171 M CB 2.028 34.759 32.600 0.218 0.000 1.672 1171 M HN 0.965 nan 8.290 nan 0.000 0.438 1172 Y N 5.316 125.789 120.300 0.288 0.000 2.496 1172 Y HA 0.164 4.713 4.550 -0.002 0.000 0.334 1172 Y C 0.313 176.321 175.900 0.180 0.000 1.080 1172 Y CA 0.278 58.538 58.100 0.266 0.000 1.355 1172 Y CB 0.515 39.132 38.460 0.261 0.000 1.193 1172 Y HN 0.617 nan 8.280 nan 0.000 0.523 1173 I N 3.988 124.467 120.570 -0.152 0.000 4.139 1173 I HA 0.104 4.273 4.170 -0.002 0.000 0.335 1173 I C -0.073 175.979 176.117 -0.108 0.000 1.327 1173 I CA 0.254 61.519 61.300 -0.058 0.000 1.112 1173 I CB -0.314 37.670 38.000 -0.027 0.000 1.058 1173 I HN 0.547 nan 8.210 nan 0.000 0.396 1174 Q N 1.396 121.064 119.800 -0.220 0.000 2.257 1174 Q HA 0.163 4.502 4.340 -0.002 0.000 0.255 1174 Q C 0.335 176.380 176.000 0.075 0.000 0.920 1174 Q CA -0.241 55.525 55.803 -0.062 0.000 0.927 1174 Q CB 1.975 30.695 28.738 -0.031 0.000 1.229 1174 Q HN 0.067 nan 8.270 nan 0.000 0.433 1175 D N 0.873 121.305 120.400 0.054 0.000 2.220 1175 D HA -0.150 4.489 4.640 -0.002 0.000 0.198 1175 D C 0.535 176.898 176.300 0.104 0.000 1.001 1175 D CA 1.530 55.563 54.000 0.056 0.000 0.875 1175 D CB 0.307 41.129 40.800 0.036 0.000 0.921 1175 D HN 0.543 nan 8.370 nan 0.000 0.454 1176 S N -2.318 113.495 115.700 0.188 0.000 2.709 1176 S HA 0.792 5.261 4.470 -0.002 0.000 0.302 1176 S C 0.365 175.101 174.600 0.226 0.000 1.127 1176 S CA -0.249 58.090 58.200 0.232 0.000 0.905 1176 S CB 2.791 66.197 63.200 0.343 0.000 1.151 1176 S HN 0.428 nan 8.310 nan 0.000 0.510 1177 G N 0.816 109.575 108.800 -0.067 0.000 2.362 1177 G HA2 -0.032 3.926 3.960 -0.002 0.000 0.517 1177 G HA3 -0.032 3.926 3.960 -0.002 0.000 0.517 1177 G C -0.328 174.356 174.900 -0.361 0.000 1.256 1177 G CA -0.383 44.454 45.100 -0.439 0.000 1.027 1177 G HN 0.654 nan 8.290 nan 0.000 0.491 1178 K N -0.586 119.577 120.400 -0.395 0.000 2.525 1178 K HA 0.316 4.635 4.320 -0.002 0.000 0.192 1178 K C 0.514 176.816 176.600 -0.496 0.000 1.029 1178 K CA 0.711 56.790 56.287 -0.347 0.000 1.029 1178 K CB 0.501 32.825 32.500 -0.294 0.000 0.814 1178 K HN 0.505 nan 8.250 nan 0.000 0.503 1179 V N 1.947 121.425 119.914 -0.727 0.000 2.851 1179 V HA 0.181 4.300 4.120 -0.002 0.000 0.307 1179 V C -2.657 172.992 176.094 -0.741 0.000 1.129 1179 V CA -2.182 59.539 62.300 -0.965 0.000 0.932 1179 V CB 2.517 33.416 31.823 -1.540 0.000 1.024 1179 V HN -0.073 nan 8.190 nan 0.000 0.426 1180 P HA 0.084 nan 4.420 nan 0.000 0.263 1180 P C -0.307 176.932 177.300 -0.101 0.000 1.195 1180 P CA -0.231 62.731 63.100 -0.229 0.000 0.762 1180 P CB 0.255 31.850 31.700 -0.175 0.000 0.799 1181 L N 6.351 127.549 121.223 -0.042 0.000 2.678 1181 L HA -0.143 4.196 4.340 -0.002 0.000 0.285 1181 L C 0.919 177.705 176.870 -0.139 0.000 1.233 1181 L CA 1.505 56.271 54.840 -0.124 0.000 0.920 1181 L CB -1.065 40.791 42.059 -0.338 0.000 1.176 1181 L HN 0.572 nan 8.230 nan 0.000 0.495 1182 H N 0.452 119.662 119.070 0.234 0.000 4.219 1182 H HA -0.150 4.405 4.556 -0.002 0.000 0.125 1182 H C 0.743 176.196 175.328 0.208 0.000 0.676 1182 H CA 0.644 56.803 56.048 0.186 0.000 1.235 1182 H CB -1.619 28.218 29.762 0.124 0.000 0.642 1182 H HN 0.635 nan 8.280 nan 0.000 0.599 1183 S N 3.206 119.068 115.700 0.271 0.000 2.931 1183 S HA 0.080 4.549 4.470 -0.002 0.000 0.342 1183 S C 0.867 175.740 174.600 0.455 0.000 1.220 1183 S CA 0.652 59.015 58.200 0.272 0.000 1.045 1183 S CB 0.759 63.971 63.200 0.019 0.000 0.758 1183 S HN 0.224 nan 8.310 nan 0.000 0.508 1184 K N 1.530 122.150 120.400 0.368 0.000 2.168 1184 K HA 0.825 5.144 4.320 -0.002 0.000 0.239 1184 K C 0.556 177.288 176.600 0.221 0.000 0.999 1184 K CA -0.821 55.639 56.287 0.288 0.000 0.900 1184 K CB 1.505 34.126 32.500 0.203 0.000 1.111 1184 K HN 0.684 nan 8.250 nan 0.000 0.452 1185 G N -0.387 108.441 108.800 0.047 0.000 2.430 1185 G HA2 0.342 4.300 3.960 -0.002 0.000 0.300 1185 G HA3 0.342 4.300 3.960 -0.002 0.000 0.300 1185 G C -1.564 173.291 174.900 -0.076 0.000 1.330 1185 G CA -0.578 44.459 45.100 -0.104 0.000 0.813 1185 G HN 0.368 nan 8.290 nan 0.000 0.487 1186 T N 0.179 114.680 114.554 -0.089 0.000 2.861 1186 T HA 0.521 4.870 4.350 -0.002 0.000 0.287 1186 T C -0.178 174.515 174.700 -0.012 0.000 1.003 1186 T CA -0.340 61.747 62.100 -0.022 0.000 0.977 1186 T CB 1.854 70.715 68.868 -0.013 0.000 0.996 1186 T HN 0.543 nan 8.240 nan 0.000 0.448 1187 V N 4.293 124.235 119.914 0.047 0.000 2.446 1187 V HA 0.090 4.209 4.120 -0.002 0.000 0.276 1187 V C 1.373 177.493 176.094 0.043 0.000 1.030 1187 V CA 0.132 62.473 62.300 0.069 0.000 1.033 1187 V CB 0.701 32.629 31.823 0.176 0.000 0.993 1187 V HN 0.861 nan 8.190 nan 0.000 0.477 1188 V N 2.241 122.155 119.914 -0.000 0.000 3.483 1188 V HA 0.800 4.919 4.120 -0.002 0.000 0.301 1188 V C 0.644 176.644 176.094 -0.157 0.000 1.389 1188 V CA 0.655 62.924 62.300 -0.053 0.000 1.101 1188 V CB -0.144 31.662 31.823 -0.029 0.000 0.971 1188 V HN 1.004 nan 8.190 nan 0.000 0.434 1189 G N 0.038 108.749 108.800 -0.147 0.000 2.316 1189 G HA2 0.519 4.478 3.960 -0.002 0.000 0.296 1189 G HA3 0.519 4.478 3.960 -0.002 0.000 0.296 1189 G C -1.757 173.061 174.900 -0.137 0.000 1.399 1189 G CA -0.152 44.788 45.100 -0.266 0.000 0.833 1189 G HN 1.016 nan 8.290 nan 0.000 0.565 1190 Y N -2.416 117.840 120.300 -0.074 0.000 2.552 1190 Y HA 0.827 5.376 4.550 -0.002 0.000 0.337 1190 Y C -0.628 175.242 175.900 -0.049 0.000 1.094 1190 Y CA -1.459 56.602 58.100 -0.065 0.000 1.028 1190 Y CB 1.656 40.090 38.460 -0.043 0.000 1.321 1190 Y HN 0.530 nan 8.280 nan 0.000 0.456 1191 T N 2.315 116.962 114.554 0.156 0.000 2.892 1191 T HA 0.258 4.607 4.350 -0.002 0.000 0.311 1191 T C -0.318 174.437 174.700 0.092 0.000 1.033 1191 T CA -0.514 61.636 62.100 0.083 0.000 0.991 1191 T CB 0.777 69.658 68.868 0.021 0.000 0.981 1191 T HN 0.734 nan 8.240 nan 0.000 0.457 1192 S N 3.896 119.659 115.700 0.104 0.000 2.699 1192 S HA 0.204 4.673 4.470 -0.002 0.000 0.251 1192 S C 0.851 175.474 174.600 0.037 0.000 1.179 1192 S CA -0.539 57.700 58.200 0.066 0.000 1.200 1192 S CB -0.802 62.443 63.200 0.074 0.000 0.848 1192 S HN 0.593 nan 8.310 nan 0.000 0.472 1193 I N 2.794 123.382 120.570 0.029 0.000 3.460 1193 I HA 0.008 4.176 4.170 -0.002 0.000 0.321 1193 I C 1.584 177.707 176.117 0.011 0.000 1.148 1193 I CA 0.878 62.188 61.300 0.017 0.000 2.244 1193 I CB -1.265 36.742 38.000 0.013 0.000 1.711 1193 I HN 0.581 nan 8.210 nan 0.000 1.079 1194 G N 3.625 112.432 108.800 0.012 0.000 4.843 1194 G HA2 -0.404 3.555 3.960 -0.002 0.000 0.229 1194 G HA3 -0.404 3.555 3.960 -0.002 0.000 0.229 1194 G C 1.577 176.483 174.900 0.010 0.000 1.384 1194 G CA 0.677 45.783 45.100 0.009 0.000 1.133 1194 G HN 0.391 nan 8.290 nan 0.000 0.741 1195 K N 1.885 122.289 120.400 0.007 0.000 2.521 1195 K HA 0.080 4.399 4.320 -0.002 0.000 0.182 1195 K C 1.346 177.948 176.600 0.004 0.000 1.096 1195 K CA 0.639 56.929 56.287 0.006 0.000 1.167 1195 K CB -1.024 31.477 32.500 0.001 0.000 1.596 1195 K HN 0.828 nan 8.250 nan 0.000 0.467 1196 N N 1.381 120.081 118.700 -0.000 0.000 2.529 1196 N HA 0.143 4.882 4.740 -0.002 0.000 0.278 1196 N C -0.195 175.313 175.510 -0.004 0.000 1.146 1196 N CA -0.482 52.565 53.050 -0.005 0.000 0.980 1196 N CB 1.084 39.563 38.487 -0.014 0.000 1.124 1196 N HN -0.171 nan 8.380 nan 0.000 0.458 1197 V N 0.860 120.765 119.914 -0.015 0.000 2.740 1197 V HA 0.071 4.190 4.120 -0.002 0.000 0.303 1197 V C 0.636 176.712 176.094 -0.030 0.000 1.054 1197 V CA -0.209 62.077 62.300 -0.023 0.000 1.106 1197 V CB 1.106 32.892 31.823 -0.062 0.000 0.957 1197 V HN 0.828 nan 8.190 nan 0.000 0.486 1198 S N 5.034 120.731 115.700 -0.005 0.000 2.667 1198 S HA 0.495 4.964 4.470 -0.002 0.000 0.304 1198 S C -0.646 173.953 174.600 -0.002 0.000 1.135 1198 S CA -0.774 57.423 58.200 -0.005 0.000 1.125 1198 S CB 0.066 63.279 63.200 0.022 0.000 0.996 1198 S HN 0.446 nan 8.310 nan 0.000 0.474 1199 I N 4.115 124.641 120.570 -0.073 0.000 2.452 1199 I HA 0.270 4.439 4.170 -0.002 0.000 0.287 1199 I C 0.498 176.605 176.117 -0.016 0.000 1.079 1199 I CA -0.242 61.012 61.300 -0.076 0.000 1.387 1199 I CB 0.359 38.182 38.000 -0.295 0.000 1.404 1199 I HN 0.613 nan 8.210 nan 0.000 0.522 1200 Q N 4.963 124.760 119.800 -0.005 0.000 2.307 1200 Q HA 0.307 4.646 4.340 -0.002 0.000 0.261 1200 Q C -0.590 175.456 176.000 0.076 0.000 1.051 1200 Q CA 0.040 55.861 55.803 0.029 0.000 0.911 1200 Q CB 0.971 29.535 28.738 -0.290 0.000 1.227 1200 Q HN 0.416 nan 8.270 nan 0.000 0.418 1201 V N 4.544 124.535 119.914 0.129 0.000 2.357 1201 V HA 0.267 4.386 4.120 -0.002 0.000 0.284 1201 V C -0.278 175.791 176.094 -0.040 0.000 1.018 1201 V CA -0.824 61.409 62.300 -0.111 0.000 0.841 1201 V CB 1.423 32.950 31.823 -0.494 0.000 0.991 1201 V HN 0.680 nan 8.190 nan 0.000 0.437 1202 L N 6.244 127.480 121.223 0.023 0.000 2.363 1202 L HA 0.443 4.781 4.340 -0.002 0.000 0.286 1202 L C -0.370 176.466 176.870 -0.056 0.000 1.106 1202 L CA -0.020 54.862 54.840 0.070 0.000 0.859 1202 L CB -0.131 42.005 42.059 0.128 0.000 1.223 1202 L HN 0.466 nan 8.230 nan 0.000 0.446 1203 F N 3.590 123.556 119.950 0.026 0.000 2.484 1203 F HA 0.010 4.536 4.527 -0.002 0.000 0.360 1203 F C 1.552 177.369 175.800 0.028 0.000 1.101 1203 F CA -0.040 57.972 58.000 0.019 0.000 1.251 1203 F CB 0.638 39.622 39.000 -0.027 0.000 1.132 1203 F HN 0.576 nan 8.300 nan 0.000 0.570 1204 D N 1.056 121.605 120.400 0.248 0.000 2.106 1204 D HA -0.171 4.468 4.640 -0.002 0.000 0.191 1204 D C 0.450 176.850 176.300 0.165 0.000 0.997 1204 D CA 1.514 55.630 54.000 0.194 0.000 0.834 1204 D CB -0.184 40.748 40.800 0.220 0.000 0.956 1204 D HN 0.339 nan 8.370 nan 0.000 0.448 1205 N N 1.384 120.178 118.700 0.157 0.000 2.524 1205 N HA 0.090 4.828 4.740 -0.002 0.000 0.283 1205 N C -0.151 175.375 175.510 0.028 0.000 1.142 1205 N CA -0.093 52.997 53.050 0.067 0.000 0.984 1205 N CB 0.737 39.236 38.487 0.020 0.000 1.155 1205 N HN 0.076 nan 8.380 nan 0.000 0.467 1206 E N 0.918 121.108 120.200 -0.016 0.000 2.414 1206 E HA 0.063 4.412 4.350 -0.002 0.000 0.263 1206 E C -0.153 176.369 176.600 -0.130 0.000 1.000 1206 E CA 0.193 56.556 56.400 -0.061 0.000 0.914 1206 E CB 0.734 30.392 29.700 -0.070 0.000 0.948 1206 E HN 0.299 nan 8.360 nan 0.000 0.444 1207 I N 4.122 124.591 120.570 -0.168 0.000 2.377 1207 I HA 0.085 4.254 4.170 -0.002 0.000 0.293 1207 I C 1.440 177.416 176.117 -0.236 0.000 0.987 1207 I CA -0.246 60.897 61.300 -0.261 0.000 1.185 1207 I CB 1.403 39.194 38.000 -0.347 0.000 1.341 1207 I HN 0.639 nan 8.210 nan 0.000 0.455 1208 I N 4.527 124.945 120.570 -0.254 0.000 2.208 1208 I HA -0.263 3.906 4.170 -0.002 0.000 0.245 1208 I C 2.248 178.274 176.117 -0.151 0.000 1.097 1208 I CA 1.650 62.811 61.300 -0.232 0.000 1.363 1208 I CB 0.119 37.989 38.000 -0.218 0.000 1.051 1208 I HN 0.757 nan 8.210 nan 0.000 0.413 1209 A N 0.309 123.031 122.820 -0.165 0.000 2.238 1209 A HA 0.280 4.598 4.320 -0.002 0.000 0.208 1209 A C 1.372 178.871 177.584 -0.142 0.000 1.177 1209 A CA 0.602 52.559 52.037 -0.132 0.000 0.804 1209 A CB -0.979 17.932 19.000 -0.149 0.000 0.823 1209 A HN 0.389 nan 8.150 nan 0.000 0.482 1210 G N 0.174 108.876 108.800 -0.163 0.000 2.508 1210 G HA2 0.441 4.399 3.960 -0.002 0.000 0.278 1210 G HA3 0.441 4.399 3.960 -0.002 0.000 0.278 1210 G C -0.278 174.521 174.900 -0.169 0.000 1.389 1210 G CA -0.100 44.900 45.100 -0.165 0.000 1.050 1210 G HN 0.842 nan 8.290 nan 0.000 0.522 1211 N N -2.905 115.652 118.700 -0.238 0.000 3.185 1211 N HA 0.169 4.908 4.740 -0.002 0.000 0.238 1211 N C -1.023 174.299 175.510 -0.313 0.000 1.451 1211 N CA -0.825 52.097 53.050 -0.214 0.000 0.888 1211 N CB 0.831 39.228 38.487 -0.149 0.000 1.413 1211 N HN 0.368 nan 8.380 nan 0.000 0.511 1212 N N 0.777 119.368 118.700 -0.183 0.000 3.052 1212 N HA 0.141 4.879 4.740 -0.002 0.000 0.302 1212 N C -0.742 174.748 175.510 -0.033 0.000 1.332 1212 N CA -0.537 52.432 53.050 -0.136 0.000 1.129 1212 N CB -1.116 37.340 38.487 -0.053 0.000 1.436 1212 N HN 0.707 nan 8.380 nan 0.000 0.536 1213 F N 1.091 121.042 119.950 0.002 0.000 2.670 1213 F HA -0.270 4.256 4.527 -0.002 0.000 0.192 1213 F C 1.571 177.370 175.800 -0.001 0.000 1.068 1213 F CA 0.565 58.565 58.000 -0.001 0.000 0.802 1213 F CB -1.473 37.525 39.000 -0.003 0.000 0.630 1213 F HN 0.602 nan 8.300 nan 0.000 0.837 1214 G N -0.081 108.810 108.800 0.151 0.000 2.272 1214 G HA2 0.083 4.041 3.960 -0.002 0.000 0.280 1214 G HA3 0.083 4.041 3.960 -0.002 0.000 0.280 1214 G C 0.934 175.877 174.900 0.070 0.000 1.067 1214 G CA 0.636 45.792 45.100 0.094 0.000 0.902 1214 G HN 1.933 nan 8.290 nan 0.000 0.500 1215 G N -0.567 108.266 108.800 0.056 0.000 2.195 1215 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.246 1215 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.246 1215 G C 0.830 175.758 174.900 0.047 0.000 0.984 1215 G CA 1.019 46.143 45.100 0.039 0.000 0.633 1215 G HN 2.052 nan 8.290 nan 0.000 0.525 1216 R N -0.492 120.055 120.500 0.077 0.000 3.782 1216 R HA 0.721 5.060 4.340 -0.002 0.000 0.291 1216 R C -0.280 176.073 176.300 0.089 0.000 1.539 1216 R CA -0.329 55.819 56.100 0.079 0.000 1.345 1216 R CB 0.021 30.373 30.300 0.088 0.000 1.408 1216 R HN 0.528 nan 8.270 nan 0.000 0.654 1217 L N 0.349 121.606 121.223 0.057 0.000 2.781 1217 L HA 0.078 4.417 4.340 -0.002 0.000 0.256 1217 L C -0.007 176.872 176.870 0.015 0.000 0.930 1217 L CA -0.300 54.566 54.840 0.043 0.000 0.967 1217 L CB 2.209 44.289 42.059 0.036 0.000 1.551 1217 L HN 0.050 nan 8.230 nan 0.000 0.445 1218 Q N 0.309 120.116 119.800 0.012 0.000 2.311 1218 Q HA 0.127 4.466 4.340 -0.002 0.000 0.203 1218 Q C 0.460 176.455 176.000 -0.008 0.000 0.954 1218 Q CA 1.128 56.933 55.803 0.004 0.000 0.885 1218 Q CB 0.269 29.012 28.738 0.009 0.000 0.963 1218 Q HN 0.816 nan 8.270 nan 0.000 0.471 1219 T N -3.071 111.472 114.554 -0.017 0.000 2.926 1219 T HA 0.489 4.838 4.350 -0.002 0.000 0.289 1219 T C -0.086 174.573 174.700 -0.068 0.000 1.054 1219 T CA -0.973 61.108 62.100 -0.033 0.000 1.015 1219 T CB 1.979 70.835 68.868 -0.020 0.000 1.167 1219 T HN -0.065 nan 8.240 nan 0.000 0.526 1220 R N 0.511 120.964 120.500 -0.078 0.000 4.138 1220 R HA 0.282 4.620 4.340 -0.002 0.000 0.206 1220 R C 0.784 177.014 176.300 -0.117 0.000 1.667 1220 R CA -0.231 55.800 56.100 -0.115 0.000 1.481 1220 R CB -0.306 29.927 30.300 -0.111 0.000 1.388 1220 R HN 0.556 nan 8.270 nan 0.000 0.776 1221 R N 0.251 120.677 120.500 -0.125 0.000 2.476 1221 R HA 0.156 4.495 4.340 -0.002 0.000 0.276 1221 R C 0.481 176.724 176.300 -0.095 0.000 0.941 1221 R CA 0.013 56.084 56.100 -0.050 0.000 1.088 1221 R CB 1.468 31.774 30.300 0.011 0.000 1.216 1221 R HN 0.327 nan 8.270 nan 0.000 0.533 1222 G N 1.152 109.709 108.800 -0.405 0.000 2.395 1222 G HA2 0.499 4.457 3.960 -0.002 0.000 0.283 1222 G HA3 0.499 4.457 3.960 -0.002 0.000 0.283 1222 G C -1.214 173.429 174.900 -0.428 0.000 1.178 1222 G CA -0.129 44.409 45.100 -0.936 0.000 0.837 1222 G HN -0.007 nan 8.290 nan 0.000 0.518 1223 L N 1.435 122.624 121.223 -0.057 0.000 2.705 1223 L HA 0.576 4.914 4.340 -0.002 0.000 0.260 1223 L C 0.231 177.262 176.870 0.267 0.000 0.921 1223 L CA -0.242 54.686 54.840 0.146 0.000 0.948 1223 L CB 1.744 43.923 42.059 0.200 0.000 1.427 1223 L HN 0.780 nan 8.230 nan 0.000 0.432 1224 G N 4.838 113.764 108.800 0.211 0.000 2.403 1224 G HA2 0.586 4.545 3.960 -0.002 0.000 0.259 1224 G HA3 0.586 4.545 3.960 -0.002 0.000 0.259 1224 G C -1.085 173.861 174.900 0.076 0.000 1.244 1224 G CA -0.263 44.920 45.100 0.139 0.000 0.849 1224 G HN 0.573 nan 8.290 nan 0.000 0.532 1225 L N 1.109 122.363 121.223 0.052 0.000 2.466 1225 L HA 0.280 4.619 4.340 -0.002 0.000 0.258 1225 L C -0.801 176.104 176.870 0.059 0.000 0.973 1225 L CA -1.059 53.802 54.840 0.036 0.000 0.826 1225 L CB 2.737 44.839 42.059 0.071 0.000 1.372 1225 L HN 0.596 nan 8.230 nan 0.000 0.409 1226 D N -0.065 120.438 120.400 0.171 0.000 2.389 1226 D HA 0.042 4.681 4.640 -0.002 0.000 0.247 1226 D C 1.176 177.553 176.300 0.127 0.000 1.128 1226 D CA 0.108 54.201 54.000 0.155 0.000 0.884 1226 D CB 1.322 42.247 40.800 0.208 0.000 1.194 1226 D HN 0.553 nan 8.370 nan 0.000 0.441 1227 S N 1.480 117.144 115.700 -0.061 0.000 2.537 1227 S HA -0.193 4.275 4.470 -0.002 0.000 0.240 1227 S C 1.824 176.429 174.600 0.008 0.000 0.981 1227 S CA 0.876 58.987 58.200 -0.148 0.000 0.948 1227 S CB -0.568 62.511 63.200 -0.203 0.000 0.759 1227 S HN 0.488 nan 8.310 nan 0.000 0.531 1228 S N 0.499 116.156 115.700 -0.071 0.000 2.469 1228 S HA 0.031 4.500 4.470 -0.002 0.000 0.238 1228 S C 1.250 175.671 174.600 -0.299 0.000 0.998 1228 S CA 0.386 58.472 58.200 -0.190 0.000 0.957 1228 S CB -0.915 61.987 63.200 -0.497 0.000 0.764 1228 S HN 0.562 nan 8.310 nan 0.000 0.514 1229 F N 1.299 121.194 119.950 -0.092 0.000 2.569 1229 F HA 0.444 4.970 4.527 -0.002 0.000 0.295 1229 F C 0.875 176.576 175.800 -0.165 0.000 1.115 1229 F CA -0.002 57.871 58.000 -0.212 0.000 1.450 1229 F CB 0.065 38.935 39.000 -0.217 0.000 1.107 1229 F HN 0.103 nan 8.300 nan 0.000 0.563 1230 L N 0.663 121.979 121.223 0.154 0.000 2.334 1230 L HA 0.455 4.793 4.340 -0.002 0.000 0.276 1230 L C -0.980 176.061 176.870 0.284 0.000 1.014 1230 L CA -1.109 53.869 54.840 0.231 0.000 0.815 1230 L CB 1.935 44.136 42.059 0.237 0.000 1.268 1230 L HN -0.183 nan 8.230 nan 0.000 0.428 1231 L N 2.528 123.872 121.223 0.201 0.000 2.282 1231 L HA 0.348 4.686 4.340 -0.002 0.000 0.288 1231 L C -0.075 176.887 176.870 0.152 0.000 1.033 1231 L CA 0.065 54.970 54.840 0.109 0.000 0.807 1231 L CB 1.280 43.301 42.059 -0.063 0.000 1.209 1231 L HN 0.521 nan 8.230 nan 0.000 0.423 1232 N N 3.779 122.503 118.700 0.040 0.000 2.402 1232 N HA 0.169 4.908 4.740 -0.002 0.000 0.252 1232 N C 0.723 176.310 175.510 0.127 0.000 1.118 1232 N CA -0.133 52.897 53.050 -0.034 0.000 0.945 1232 N CB 0.506 38.748 38.487 -0.408 0.000 1.147 1232 N HN 0.730 nan 8.380 nan 0.000 0.495 1233 L N 1.790 123.108 121.223 0.159 0.000 2.446 1233 L HA 0.079 4.418 4.340 -0.002 0.000 0.219 1233 L C 0.465 177.413 176.870 0.130 0.000 1.116 1233 L CA 0.229 55.205 54.840 0.226 0.000 0.844 1233 L CB 0.098 42.265 42.059 0.179 0.000 0.970 1233 L HN 0.517 nan 8.230 nan 0.000 0.457 1234 S N -1.041 114.702 115.700 0.073 0.000 2.130 1234 S HA 0.444 4.912 4.470 -0.002 0.000 0.165 1234 S C -0.560 174.050 174.600 0.017 0.000 1.677 1234 S CA -0.610 57.608 58.200 0.030 0.000 1.227 1234 S CB 0.785 64.004 63.200 0.032 0.000 1.115 1234 S HN 0.252 nan 8.310 nan 0.000 0.452 1235 D N 1.340 121.732 120.400 -0.013 0.000 3.351 1235 D HA -0.119 4.520 4.640 -0.002 0.000 0.108 1235 D C -0.865 175.404 176.300 -0.051 0.000 0.777 1235 D CA 0.039 54.025 54.000 -0.024 0.000 1.872 1235 D CB -0.649 40.163 40.800 0.020 0.000 0.405 1235 D HN 0.584 nan 8.370 nan 0.000 0.834 1236 R N 1.765 122.211 120.500 -0.090 0.000 2.408 1236 R HA 0.352 4.691 4.340 -0.002 0.000 0.308 1236 R C 1.231 177.483 176.300 -0.080 0.000 1.210 1236 R CA 0.009 56.027 56.100 -0.136 0.000 1.115 1236 R CB 0.595 30.604 30.300 -0.486 0.000 1.127 1236 R HN 0.237 nan 8.270 nan 0.000 0.523 1237 Q N 1.655 121.466 119.800 0.019 0.000 2.360 1237 Q HA 0.132 4.471 4.340 -0.002 0.000 0.202 1237 Q C 0.349 176.376 176.000 0.046 0.000 0.915 1237 Q CA 0.549 56.351 55.803 -0.002 0.000 0.943 1237 Q CB 0.572 29.282 28.738 -0.047 0.000 1.064 1237 Q HN 0.507 nan 8.270 nan 0.000 0.511 1238 L N 0.349 121.662 121.223 0.150 0.000 3.267 1238 L HA 0.258 4.597 4.340 -0.002 0.000 0.289 1238 L C -0.032 176.961 176.870 0.206 0.000 1.260 1238 L CA -0.510 54.422 54.840 0.154 0.000 1.034 1238 L CB 0.573 42.709 42.059 0.128 0.000 1.413 1238 L HN -0.061 nan 8.230 nan 0.000 0.594 1239 V N -2.307 117.664 119.914 0.095 0.000 3.051 1239 V HA 0.350 4.468 4.120 -0.002 0.000 0.306 1239 V C 0.186 176.339 176.094 0.098 0.000 1.083 1239 V CA -0.586 61.719 62.300 0.009 0.000 1.104 1239 V CB 0.265 31.956 31.823 -0.219 0.000 1.027 1239 V HN 0.399 nan 8.190 nan 0.000 0.483 1240 Y N 0.000 120.248 120.300 -0.086 0.000 2.660 1240 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 1240 Y CA 0.000 58.055 58.100 -0.076 0.000 1.940 1240 Y CB 0.000 38.423 38.460 -0.061 0.000 1.050 1240 Y HN 0.000 nan 8.280 nan 0.000 0.758