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 2by1_1_A DATA FIRST_RESID 14 DATA SEQUENCE SFQTQHDPRT RLGATPLPGG AGTRFRLWTS TARTVAVRVN GTEHVXTSLG DATA SEQUENCE GGIYELELPV GPGARYLFVL DGVPTPDPYA RFLPDGVHGE AEVVDFGTFD DATA SEQUENCE WTDADWHGIK LADCVFYEVH VGTFTPEGTY RAAAEKLPYL KELGVTAIQV DATA SEQUENCE XPLAAFDGQR GWGYDGAAFY APYAPYGRPE DLXALVDAAH RLGLGVFLDV DATA SEQUENCE VYNHFGPSGN YLSSYAPSYF TDRFSSAWGX GLDYAEPHXR RYVTGNARXW DATA SEQUENCE LRDYHFDGLR LDATPYXTDD SETHILTELA QEIHELGGTH LLLAEDHRNL DATA SEQUENCE PDLVTVNHLD GIWTDDFHHE TRVTLTGEQE GYYAGYRGGA EALAYTIRRG DATA SEQUENCE WRYEGQFWAV KGEEHERGHP SDALEAPNFV YCIQNHDQIG NRPLGERLHQ DATA SEQUENCE SDGVTLHEYR GAAALLLTLP XTPLLFQGQE WAASTPFQFF SDHAGELGQA DATA SEQUENCE VSEGRKKEFX XXXXXXXXDV PDPQAEQTFL NSKLNWAERE GGEHARTLRL DATA SEQUENCE YRDLLRLRRE DPVLHNRQRE NLTTGHDGDV LWVRTVTGAG ERVLLWNLGQ DATA SEQUENCE DTRAVAEVKL PFTVPRRLLL HTEGREDLTL GAGEAVLVG 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.638 174.600 0.064 0.000 1.055 14 S CA 0.000 58.229 58.200 0.049 0.000 1.107 14 S CB 0.000 63.215 63.200 0.026 0.000 0.593 15 F N 4.162 124.120 119.950 0.014 0.000 2.608 15 F HA 0.430 4.958 4.527 0.001 0.000 0.380 15 F C 0.328 176.140 175.800 0.020 0.000 1.083 15 F CA 0.753 58.765 58.000 0.021 0.000 1.266 15 F CB 0.493 39.516 39.000 0.038 0.000 1.076 15 F HN 0.318 nan 8.300 nan 0.000 0.574 16 Q N 4.805 124.032 119.800 -0.956 0.000 2.331 16 Q HA 0.183 4.524 4.340 0.001 0.000 0.267 16 Q C -0.051 175.333 176.000 -1.027 0.000 1.006 16 Q CA -0.940 54.456 55.803 -0.679 0.000 0.818 16 Q CB 1.801 30.313 28.738 -0.376 0.000 1.276 16 Q HN 0.790 nan 8.270 nan 0.000 0.450 17 T N 1.198 115.480 114.554 -0.454 0.000 2.939 17 T HA -0.099 4.251 4.350 0.001 0.000 0.319 17 T C 0.896 175.487 174.700 -0.183 0.000 1.082 17 T CA 0.787 62.815 62.100 -0.119 0.000 1.133 17 T CB 0.519 69.484 68.868 0.162 0.000 1.019 17 T HN 0.596 nan 8.240 nan 0.000 0.548 18 Q N 1.519 121.239 119.800 -0.132 0.000 2.403 18 Q HA 0.062 4.403 4.340 0.001 0.000 0.203 18 Q C 0.004 175.808 176.000 -0.326 0.000 0.932 18 Q CA 0.291 55.942 55.803 -0.253 0.000 0.945 18 Q CB 0.228 28.791 28.738 -0.292 0.000 1.045 18 Q HN 0.634 nan 8.270 nan 0.000 0.511 19 H N 0.402 119.479 119.070 0.011 0.000 2.467 19 H HA 0.267 4.824 4.556 0.001 0.000 0.326 19 H C -0.911 174.424 175.328 0.012 0.000 1.094 19 H CA -0.230 55.834 56.048 0.027 0.000 1.253 19 H CB 1.425 31.224 29.762 0.062 0.000 1.439 19 H HN -0.004 nan 8.280 nan 0.000 0.479 20 D N 3.928 124.395 120.400 0.111 0.000 2.788 20 D HA 0.212 4.853 4.640 0.001 0.000 0.247 20 D C -2.119 174.220 176.300 0.066 0.000 1.236 20 D CA -2.289 51.747 54.000 0.061 0.000 0.898 20 D CB 2.487 43.296 40.800 0.015 0.000 1.401 20 D HN 0.102 nan 8.370 nan 0.000 0.549 21 P HA -0.064 nan 4.420 nan 0.000 0.219 21 P C 0.759 178.074 177.300 0.026 0.000 1.146 21 P CA 1.021 64.152 63.100 0.051 0.000 0.808 21 P CB 0.267 31.996 31.700 0.049 0.000 0.779 22 R N -1.069 119.441 120.500 0.016 0.000 2.323 22 R HA 0.060 4.401 4.340 0.001 0.000 0.198 22 R C 1.178 177.476 176.300 -0.002 0.000 0.988 22 R CA 1.394 57.495 56.100 0.002 0.000 1.041 22 R CB -0.681 29.618 30.300 -0.001 0.000 0.926 22 R HN 0.300 nan 8.270 nan 0.000 0.476 23 T N -2.971 111.585 114.554 0.004 0.000 3.200 23 T HA 0.176 4.527 4.350 0.001 0.000 0.284 23 T C 0.401 175.101 174.700 -0.001 0.000 1.009 23 T CA -0.637 61.461 62.100 -0.002 0.000 0.907 23 T CB 0.202 69.064 68.868 -0.009 0.000 1.120 23 T HN -0.002 nan 8.240 nan 0.000 0.534 24 R N 1.721 122.225 120.500 0.007 0.000 2.522 24 R HA 0.338 4.679 4.340 0.001 0.000 0.284 24 R C -0.238 176.014 176.300 -0.080 0.000 1.032 24 R CA -0.345 55.757 56.100 0.003 0.000 1.049 24 R CB 0.225 30.540 30.300 0.025 0.000 0.956 24 R HN 0.402 nan 8.270 nan 0.000 0.422 25 L N 4.243 125.342 121.223 -0.205 0.000 2.436 25 L HA 0.337 4.678 4.340 0.001 0.000 0.265 25 L C 1.206 177.892 176.870 -0.307 0.000 1.168 25 L CA 0.776 55.372 54.840 -0.407 0.000 0.815 25 L CB 0.982 42.443 42.059 -0.997 0.000 1.109 25 L HN 1.094 nan 8.230 nan 0.000 0.462 26 G N 1.671 110.432 108.800 -0.066 0.000 2.418 26 G HA2 0.057 4.018 3.960 0.001 0.000 0.206 26 G HA3 0.057 4.018 3.960 0.001 0.000 0.206 26 G C -1.052 173.943 174.900 0.160 0.000 1.202 26 G CA -0.240 44.992 45.100 0.220 0.000 1.061 26 G HN 0.992 nan 8.290 nan 0.000 0.563 27 A N -0.346 122.492 122.820 0.030 0.000 2.304 27 A HA 0.838 5.159 4.320 0.001 0.000 0.314 27 A C -0.085 177.336 177.584 -0.272 0.000 1.187 27 A CA 0.632 52.447 52.037 -0.370 0.000 0.810 27 A CB 1.321 19.940 19.000 -0.635 0.000 1.183 27 A HN 1.522 nan 8.150 nan 0.000 0.487 28 T N 4.813 119.175 114.554 -0.320 0.000 2.840 28 T HA 0.528 4.878 4.350 0.001 0.000 0.287 28 T C -2.876 171.692 174.700 -0.220 0.000 0.991 28 T CA -1.051 60.936 62.100 -0.188 0.000 0.964 28 T CB 1.543 70.354 68.868 -0.094 0.000 0.954 28 T HN 0.382 nan 8.240 nan 0.000 0.438 29 P HA 0.157 nan 4.420 nan 0.000 0.266 29 P C -0.478 176.761 177.300 -0.102 0.000 1.195 29 P CA -0.190 62.822 63.100 -0.146 0.000 0.768 29 P CB 0.476 32.110 31.700 -0.110 0.000 0.838 30 L N 5.185 126.351 121.223 -0.095 0.000 2.399 30 L HA 0.436 4.777 4.340 0.001 0.000 0.265 30 L C -1.592 175.256 176.870 -0.037 0.000 1.089 30 L CA -2.020 52.783 54.840 -0.062 0.000 0.802 30 L CB 0.362 42.385 42.059 -0.060 0.000 1.180 30 L HN 0.307 nan 8.230 nan 0.000 0.454 31 P HA 0.110 nan 4.420 nan 0.000 0.272 31 P C 0.456 177.749 177.300 -0.012 0.000 1.240 31 P CA 0.037 63.130 63.100 -0.011 0.000 0.791 31 P CB 0.630 32.328 31.700 -0.004 0.000 0.978 32 G N 0.008 108.804 108.800 -0.007 0.000 2.179 32 G HA2 -0.110 3.851 3.960 0.001 0.000 0.257 32 G HA3 -0.110 3.851 3.960 0.001 0.000 0.257 32 G C 0.842 175.737 174.900 -0.009 0.000 1.010 32 G CA 0.566 45.663 45.100 -0.005 0.000 0.736 32 G HN 1.121 nan 8.290 nan 0.000 0.513 33 G N -1.307 107.485 108.800 -0.013 0.000 2.203 33 G HA2 0.060 4.021 3.960 0.001 0.000 0.263 33 G HA3 0.060 4.021 3.960 0.001 0.000 0.263 33 G C 1.406 176.296 174.900 -0.017 0.000 1.012 33 G CA 1.308 46.399 45.100 -0.015 0.000 0.749 33 G HN 2.143 nan 8.290 nan 0.000 0.512 34 A N -1.218 121.590 122.820 -0.020 0.000 2.119 34 A HA 0.549 4.870 4.320 0.001 0.000 0.217 34 A C 2.343 179.911 177.584 -0.027 0.000 1.153 34 A CA 2.155 54.180 52.037 -0.020 0.000 0.692 34 A CB -0.163 18.826 19.000 -0.019 0.000 0.799 34 A HN 2.596 nan 8.150 nan 0.000 0.458 35 G N -2.542 106.232 108.800 -0.042 0.000 2.253 35 G HA2 0.188 4.149 3.960 0.001 0.000 0.190 35 G HA3 0.188 4.149 3.960 0.001 0.000 0.190 35 G C -0.340 174.491 174.900 -0.114 0.000 1.274 35 G CA -0.121 44.945 45.100 -0.056 0.000 1.275 35 G HN 0.700 nan 8.290 nan 0.000 0.518 36 T N 0.471 114.924 114.554 -0.168 0.000 2.912 36 T HA 0.658 5.008 4.350 0.001 0.000 0.299 36 T C -0.400 174.043 174.700 -0.428 0.000 1.052 36 T CA -0.520 61.352 62.100 -0.379 0.000 0.996 36 T CB 2.122 70.624 68.868 -0.610 0.000 1.070 36 T HN 0.703 nan 8.240 nan 0.000 0.465 37 R N 2.265 122.509 120.500 -0.426 0.000 2.255 37 R HA 0.552 4.893 4.340 0.001 0.000 0.326 37 R C -1.423 174.630 176.300 -0.411 0.000 0.986 37 R CA -0.495 55.442 56.100 -0.272 0.000 0.847 37 R CB 0.370 30.591 30.300 -0.131 0.000 1.111 37 R HN 0.454 nan 8.270 nan 0.000 0.452 38 F N 3.537 123.481 119.950 -0.010 0.000 2.420 38 F HA 0.532 5.060 4.527 0.001 0.000 0.342 38 F C 0.450 176.306 175.800 0.093 0.000 1.113 38 F CA -0.484 57.560 58.000 0.073 0.000 1.059 38 F CB 1.608 40.703 39.000 0.157 0.000 1.128 38 F HN 0.312 nan 8.300 nan 0.000 0.475 39 R N 3.364 123.998 120.500 0.223 0.000 2.698 39 R HA 0.837 5.177 4.340 0.001 0.000 0.275 39 R C -1.746 174.521 176.300 -0.054 0.000 1.001 39 R CA -1.113 55.029 56.100 0.071 0.000 0.896 39 R CB 2.659 32.966 30.300 0.012 0.000 1.218 39 R HN 0.609 nan 8.270 nan 0.000 0.462 40 L N -1.621 119.553 121.223 -0.081 0.000 2.568 40 L HA 0.723 5.064 4.340 0.001 0.000 0.257 40 L C -1.675 175.264 176.870 0.115 0.000 1.024 40 L CA -0.833 53.934 54.840 -0.123 0.000 0.854 40 L CB 1.273 43.103 42.059 -0.381 0.000 1.460 40 L HN 0.678 nan 8.230 nan 0.000 0.409 41 W N 0.954 122.214 121.300 -0.067 0.000 2.532 41 W HA 0.799 5.459 4.660 0.001 0.000 0.321 41 W C -1.079 175.486 176.519 0.077 0.000 1.037 41 W CA -0.372 56.938 57.345 -0.058 0.000 1.220 41 W CB 1.835 31.072 29.460 -0.371 0.000 1.361 41 W HN 0.904 nan 8.180 nan 0.000 0.468 42 T N 3.447 117.726 114.554 -0.458 0.000 2.952 42 T HA 0.319 4.670 4.350 0.001 0.000 0.305 42 T C 0.602 174.925 174.700 -0.629 0.000 1.064 42 T CA 0.016 61.767 62.100 -0.581 0.000 1.008 42 T CB 1.232 69.945 68.868 -0.258 0.000 1.078 42 T HN 0.471 nan 8.240 nan 0.000 0.459 43 S N 2.021 117.297 115.700 -0.707 0.000 2.524 43 S HA 0.076 4.547 4.470 0.001 0.000 0.216 43 S C 1.506 176.003 174.600 -0.172 0.000 0.987 43 S CA 0.806 58.792 58.200 -0.358 0.000 0.909 43 S CB -0.156 62.850 63.200 -0.323 0.000 0.781 43 S HN 0.898 nan 8.310 nan 0.000 0.521 44 T N -1.942 112.498 114.554 -0.191 0.000 2.966 44 T HA 0.568 4.919 4.350 0.001 0.000 0.254 44 T C 0.635 175.264 174.700 -0.119 0.000 0.961 44 T CA 0.293 62.319 62.100 -0.123 0.000 0.915 44 T CB -0.201 68.597 68.868 -0.117 0.000 1.186 44 T HN 0.455 nan 8.240 nan 0.000 0.505 45 A N 1.798 124.517 122.820 -0.169 0.000 2.462 45 A HA 0.530 4.851 4.320 0.001 0.000 0.243 45 A C 1.308 178.814 177.584 -0.129 0.000 1.076 45 A CA -0.457 51.469 52.037 -0.184 0.000 0.773 45 A CB 0.322 19.151 19.000 -0.284 0.000 1.010 45 A HN 0.447 nan 8.150 nan 0.000 0.493 46 R N 0.209 120.648 120.500 -0.101 0.000 2.156 46 R HA 0.054 4.395 4.340 0.001 0.000 0.207 46 R C 0.250 176.514 176.300 -0.059 0.000 1.040 46 R CA 1.332 57.400 56.100 -0.052 0.000 1.013 46 R CB 0.068 30.346 30.300 -0.037 0.000 0.931 46 R HN 0.859 nan 8.270 nan 0.000 0.465 47 T N -1.595 112.896 114.554 -0.105 0.000 2.876 47 T HA 0.609 4.960 4.350 0.001 0.000 0.289 47 T C -0.525 174.063 174.700 -0.187 0.000 1.014 47 T CA -0.723 61.317 62.100 -0.100 0.000 0.986 47 T CB 2.437 71.268 68.868 -0.062 0.000 1.021 47 T HN -0.208 nan 8.240 nan 0.000 0.458 48 V N 1.600 121.392 119.914 -0.205 0.000 2.612 48 V HA 0.857 4.978 4.120 0.001 0.000 0.301 48 V C -0.155 175.884 176.094 -0.090 0.000 1.059 48 V CA -0.680 61.451 62.300 -0.281 0.000 0.886 48 V CB 1.230 32.597 31.823 -0.760 0.000 1.007 48 V HN 1.440 nan 8.190 nan 0.000 0.426 49 A N 3.615 126.428 122.820 -0.012 0.000 2.515 49 A HA 0.945 5.266 4.320 0.001 0.000 0.296 49 A C -1.391 176.298 177.584 0.175 0.000 1.094 49 A CA -0.724 51.354 52.037 0.068 0.000 0.718 49 A CB 2.296 21.314 19.000 0.029 0.000 1.307 49 A HN 1.064 nan 8.150 nan 0.000 0.408 50 V N 0.980 120.986 119.914 0.153 0.000 2.513 50 V HA 0.713 4.834 4.120 0.001 0.000 0.299 50 V C -0.150 175.936 176.094 -0.012 0.000 1.035 50 V CA -0.771 61.573 62.300 0.074 0.000 0.889 50 V CB 1.510 33.242 31.823 -0.151 0.000 0.988 50 V HN 0.900 nan 8.190 nan 0.000 0.440 51 R N 5.104 125.564 120.500 -0.067 0.000 2.288 51 R HA 0.670 5.011 4.340 0.001 0.000 0.326 51 R C -1.822 174.452 176.300 -0.044 0.000 0.959 51 R CA -0.391 55.686 56.100 -0.039 0.000 0.834 51 R CB 1.482 31.752 30.300 -0.049 0.000 1.157 51 R HN 0.614 nan 8.270 nan 0.000 0.470 52 V N 5.371 125.292 119.914 0.012 0.000 2.409 52 V HA 0.198 4.319 4.120 0.001 0.000 0.291 52 V C -0.015 176.119 176.094 0.067 0.000 1.020 52 V CA -0.985 61.330 62.300 0.025 0.000 0.848 52 V CB 1.557 33.362 31.823 -0.031 0.000 0.990 52 V HN 0.940 nan 8.190 nan 0.000 0.430 53 N N 3.984 122.722 118.700 0.063 0.000 2.710 53 N HA -0.234 4.507 4.740 0.001 0.000 0.249 53 N C 1.212 176.739 175.510 0.027 0.000 1.059 53 N CA 1.630 54.709 53.050 0.049 0.000 0.720 53 N CB -1.069 37.455 38.487 0.062 0.000 0.983 53 N HN 1.541 nan 8.380 nan 0.000 0.544 54 G N -2.919 105.886 108.800 0.008 0.000 2.199 54 G HA2 -0.300 3.661 3.960 0.001 0.000 0.254 54 G HA3 -0.300 3.661 3.960 0.001 0.000 0.254 54 G C 0.164 175.048 174.900 -0.027 0.000 0.982 54 G CA 0.613 45.706 45.100 -0.012 0.000 0.632 54 G HN 0.524 nan 8.290 nan 0.000 0.529 55 T N 1.669 116.211 114.554 -0.020 0.000 2.771 55 T HA 0.535 4.886 4.350 0.001 0.000 0.281 55 T C -0.219 174.387 174.700 -0.157 0.000 0.982 55 T CA -0.398 61.645 62.100 -0.095 0.000 0.978 55 T CB 1.788 70.607 68.868 -0.082 0.000 0.930 55 T HN 0.325 nan 8.240 nan 0.000 0.447 56 E N 2.844 122.913 120.200 -0.218 0.000 2.227 56 E HA 0.224 4.575 4.350 0.001 0.000 0.282 56 E C -0.406 175.999 176.600 -0.324 0.000 1.015 56 E CA -0.579 55.719 56.400 -0.171 0.000 0.823 56 E CB 0.757 30.398 29.700 -0.097 0.000 1.081 56 E HN 0.593 nan 8.360 nan 0.000 0.396 57 H N 1.600 120.651 119.070 -0.032 0.000 2.609 57 H HA 0.207 4.764 4.556 0.001 0.000 0.344 57 H C 0.100 175.433 175.328 0.008 0.000 1.040 57 H CA -0.622 55.418 56.048 -0.013 0.000 1.216 57 H CB 1.366 31.115 29.762 -0.020 0.000 1.529 57 H HN 0.232 nan 8.280 nan 0.000 0.519 61 S N 2.344 117.950 115.700 -0.157 0.000 2.505 61 S HA 0.426 4.897 4.470 0.001 0.000 0.276 61 S C 0.999 175.407 174.600 -0.319 0.000 1.274 61 S CA -0.616 57.241 58.200 -0.571 0.000 1.053 61 S CB 0.009 62.974 63.200 -0.392 0.000 0.919 61 S HN 0.595 nan 8.310 nan 0.000 0.490 62 L N 4.574 125.596 121.223 -0.334 0.000 2.638 62 L HA 0.415 4.755 4.340 0.001 0.000 0.232 62 L C 1.162 177.958 176.870 -0.124 0.000 1.099 62 L CA 0.216 54.960 54.840 -0.160 0.000 0.883 62 L CB -0.443 41.553 42.059 -0.104 0.000 1.136 62 L HN 0.933 nan 8.230 nan 0.000 0.492 63 G N -0.832 107.874 108.800 -0.157 0.000 2.629 63 G HA2 0.181 4.142 3.960 0.001 0.000 0.686 63 G HA3 0.181 4.142 3.960 0.001 0.000 0.686 63 G C 0.464 175.355 174.900 -0.016 0.000 1.232 63 G CA -0.485 44.572 45.100 -0.072 0.000 0.803 63 G HN 0.433 nan 8.290 nan 0.000 0.638 64 G N -0.835 107.991 108.800 0.042 0.000 2.168 64 G HA2 0.354 4.315 3.960 0.001 0.000 0.257 64 G HA3 0.354 4.315 3.960 0.001 0.000 0.257 64 G C 2.081 177.151 174.900 0.284 0.000 0.997 64 G CA 1.158 46.334 45.100 0.127 0.000 0.708 64 G HN 3.131 nan 8.290 nan 0.000 0.520 65 G N -1.638 107.288 108.800 0.210 0.000 2.162 65 G HA2 -0.223 3.737 3.960 0.001 0.000 0.260 65 G HA3 -0.223 3.737 3.960 0.001 0.000 0.260 65 G C 0.311 175.430 174.900 0.364 0.000 0.976 65 G CA 0.447 45.730 45.100 0.305 0.000 0.655 65 G HN 1.181 nan 8.290 nan 0.000 0.533 66 I N 0.465 121.131 120.570 0.161 0.000 2.395 66 I HA 0.515 4.686 4.170 0.001 0.000 0.289 66 I C 0.184 176.226 176.117 -0.125 0.000 1.023 66 I CA -0.950 60.424 61.300 0.124 0.000 1.350 66 I CB 0.486 38.523 38.000 0.061 0.000 1.409 66 I HN 0.085 nan 8.210 nan 0.000 0.507 67 Y N 3.810 124.129 120.300 0.032 0.000 2.462 67 Y HA 0.531 5.082 4.550 0.001 0.000 0.346 67 Y C 0.166 176.076 175.900 0.016 0.000 0.976 67 Y CA -0.689 57.419 58.100 0.012 0.000 1.044 67 Y CB 2.310 40.760 38.460 -0.016 0.000 1.230 67 Y HN 0.525 nan 8.280 nan 0.000 0.455 68 E N 2.342 122.638 120.200 0.160 0.000 2.366 68 E HA 0.676 5.027 4.350 0.001 0.000 0.278 68 E C -2.330 174.363 176.600 0.155 0.000 0.923 68 E CA -0.857 55.625 56.400 0.137 0.000 0.761 68 E CB 2.569 32.311 29.700 0.070 0.000 1.231 68 E HN 0.542 nan 8.360 nan 0.000 0.443 69 L N 2.110 123.450 121.223 0.195 0.000 2.505 69 L HA 0.429 4.770 4.340 0.001 0.000 0.259 69 L C -1.789 175.202 176.870 0.202 0.000 0.952 69 L CA -0.153 54.792 54.840 0.175 0.000 0.840 69 L CB 2.217 44.382 42.059 0.176 0.000 1.358 69 L HN 0.587 nan 8.230 nan 0.000 0.409 70 E N 4.733 125.001 120.200 0.114 0.000 2.158 70 E HA 0.702 5.053 4.350 0.001 0.000 0.271 70 E C -1.383 175.254 176.600 0.062 0.000 0.911 70 E CA -0.519 55.924 56.400 0.072 0.000 0.767 70 E CB 2.049 31.761 29.700 0.020 0.000 1.120 70 E HN 0.443 nan 8.360 nan 0.000 0.405 71 L N 3.327 124.597 121.223 0.079 0.000 2.371 71 L HA 0.396 4.737 4.340 0.001 0.000 0.262 71 L C -2.173 174.706 176.870 0.016 0.000 1.006 71 L CA -2.312 52.541 54.840 0.022 0.000 0.818 71 L CB 2.336 44.382 42.059 -0.020 0.000 1.354 71 L HN 0.341 nan 8.230 nan 0.000 0.415 72 P HA -0.011 nan 4.420 nan 0.000 0.269 72 P C -0.216 177.090 177.300 0.010 0.000 1.461 72 P CA 0.132 63.233 63.100 0.002 0.000 0.809 72 P CB -0.303 31.400 31.700 0.005 0.000 1.503 73 V N -3.021 116.909 119.914 0.026 0.000 2.686 73 V HA 0.806 4.927 4.120 0.001 0.000 0.295 73 V C 0.558 176.653 176.094 0.003 0.000 1.057 73 V CA -0.478 61.845 62.300 0.038 0.000 1.012 73 V CB 1.057 32.936 31.823 0.094 0.000 1.006 73 V HN 0.128 nan 8.190 nan 0.000 0.477 74 G N 2.563 111.366 108.800 0.004 0.000 2.887 74 G HA2 0.706 4.667 3.960 0.001 0.000 0.277 74 G HA3 0.706 4.667 3.960 0.001 0.000 0.277 74 G C -2.993 171.897 174.900 -0.017 0.000 1.346 74 G CA -1.899 43.188 45.100 -0.022 0.000 1.058 74 G HN 0.704 nan 8.290 nan 0.000 0.535 75 P HA 0.226 nan 4.420 nan 0.000 0.264 75 P C 0.870 178.176 177.300 0.009 0.000 1.183 75 P CA 1.645 64.727 63.100 -0.030 0.000 0.763 75 P CB 0.993 32.660 31.700 -0.055 0.000 0.807 76 G N 1.478 110.303 108.800 0.041 0.000 2.254 76 G HA2 -0.173 3.788 3.960 0.001 0.000 0.225 76 G HA3 -0.173 3.788 3.960 0.001 0.000 0.225 76 G C 0.454 175.411 174.900 0.095 0.000 1.003 76 G CA -0.019 45.121 45.100 0.066 0.000 0.622 76 G HN 0.845 nan 8.290 nan 0.000 0.507 77 A N 0.923 123.807 122.820 0.106 0.000 2.483 77 A HA 0.617 4.938 4.320 0.001 0.000 0.238 77 A C 0.654 178.369 177.584 0.220 0.000 1.070 77 A CA 0.395 52.519 52.037 0.144 0.000 0.770 77 A CB 0.264 19.360 19.000 0.159 0.000 1.008 77 A HN 0.403 nan 8.150 nan 0.000 0.497 78 R N 0.683 121.295 120.500 0.185 0.000 2.460 78 R HA 0.572 4.913 4.340 0.001 0.000 0.303 78 R C -1.133 175.279 176.300 0.186 0.000 0.968 78 R CA -0.189 56.002 56.100 0.152 0.000 0.889 78 R CB 0.983 31.312 30.300 0.049 0.000 1.123 78 R HN 0.852 nan 8.270 nan 0.000 0.455 79 Y N -0.025 120.244 120.300 -0.052 0.000 2.638 79 Y HA 0.716 5.266 4.550 0.001 0.000 0.335 79 Y C -1.516 174.243 175.900 -0.235 0.000 1.155 79 Y CA -1.483 56.519 58.100 -0.164 0.000 1.046 79 Y CB 1.095 39.419 38.460 -0.227 0.000 1.303 79 Y HN 0.350 nan 8.280 nan 0.000 0.460 80 L N -0.941 120.070 121.223 -0.353 0.000 2.630 80 L HA 0.779 5.120 4.340 0.001 0.000 0.258 80 L C -1.801 174.847 176.870 -0.370 0.000 1.072 80 L CA -1.424 53.148 54.840 -0.446 0.000 0.885 80 L CB 0.868 42.753 42.059 -0.289 0.000 1.502 80 L HN 0.598 nan 8.230 nan 0.000 0.406 81 F N -0.133 119.865 119.950 0.079 0.000 2.432 81 F HA 0.811 5.339 4.527 0.001 0.000 0.329 81 F C 0.064 175.841 175.800 -0.038 0.000 1.076 81 F CA -0.924 57.121 58.000 0.074 0.000 1.018 81 F CB 2.126 41.253 39.000 0.212 0.000 1.201 81 F HN 0.219 nan 8.300 nan 0.000 0.489 82 V N 4.072 124.081 119.914 0.158 0.000 2.376 82 V HA 0.382 4.503 4.120 0.001 0.000 0.287 82 V C -0.524 175.532 176.094 -0.063 0.000 1.015 82 V CA -0.686 61.617 62.300 0.005 0.000 0.834 82 V CB 1.355 33.172 31.823 -0.011 0.000 1.001 82 V HN 0.492 nan 8.190 nan 0.000 0.428 83 L N 4.235 125.377 121.223 -0.134 0.000 2.298 83 L HA 0.554 4.895 4.340 0.001 0.000 0.284 83 L C 0.096 176.872 176.870 -0.157 0.000 1.013 83 L CA -0.598 54.118 54.840 -0.206 0.000 0.824 83 L CB 1.242 43.106 42.059 -0.325 0.000 1.221 83 L HN 0.615 nan 8.230 nan 0.000 0.418 84 D N 3.482 123.798 120.400 -0.139 0.000 2.701 84 D HA -0.210 4.431 4.640 0.001 0.000 0.235 84 D C 1.208 177.459 176.300 -0.081 0.000 1.155 84 D CA 1.492 55.431 54.000 -0.101 0.000 0.649 84 D CB -0.734 40.007 40.800 -0.099 0.000 1.050 84 D HN 1.106 nan 8.370 nan 0.000 0.425 85 G N -2.281 106.473 108.800 -0.076 0.000 2.179 85 G HA2 -0.321 3.639 3.960 0.001 0.000 0.260 85 G HA3 -0.321 3.639 3.960 0.001 0.000 0.260 85 G C 0.364 175.227 174.900 -0.062 0.000 0.977 85 G CA 0.243 45.307 45.100 -0.061 0.000 0.641 85 G HN 0.625 nan 8.290 nan 0.000 0.533 86 V N 2.634 122.503 119.914 -0.076 0.000 2.364 86 V HA 0.449 4.570 4.120 0.001 0.000 0.272 86 V C -1.755 174.288 176.094 -0.084 0.000 1.036 86 V CA -1.690 60.565 62.300 -0.075 0.000 0.880 86 V CB 1.507 33.283 31.823 -0.078 0.000 0.991 86 V HN 0.121 nan 8.190 nan 0.000 0.460 87 P HA 0.270 nan 4.420 nan 0.000 0.271 87 P C -0.387 176.833 177.300 -0.134 0.000 1.220 87 P CA 0.176 63.224 63.100 -0.087 0.000 0.768 87 P CB 0.449 32.099 31.700 -0.083 0.000 0.848 88 T N 4.852 119.321 114.554 -0.142 0.000 2.937 88 T HA 0.403 4.754 4.350 0.001 0.000 0.297 88 T C -2.680 171.906 174.700 -0.190 0.000 0.991 88 T CA -1.567 60.388 62.100 -0.242 0.000 0.990 88 T CB 1.354 70.114 68.868 -0.182 0.000 0.991 88 T HN 0.116 nan 8.240 nan 0.000 0.440 89 P HA 0.098 nan 4.420 nan 0.000 0.269 89 P C -0.504 176.854 177.300 0.096 0.000 1.217 89 P CA -0.302 62.662 63.100 -0.227 0.000 0.783 89 P CB 0.451 31.974 31.700 -0.296 0.000 0.898 90 D N 2.368 122.819 120.400 0.086 0.000 2.325 90 D HA 0.109 4.750 4.640 0.001 0.000 0.251 90 D C -1.669 174.761 176.300 0.217 0.000 1.196 90 D CA -2.089 52.099 54.000 0.313 0.000 0.866 90 D CB 0.350 41.343 40.800 0.323 0.000 1.101 90 D HN 0.108 nan 8.370 nan 0.000 0.476 91 P HA -0.077 nan 4.420 nan 0.000 0.222 91 P C 0.217 177.528 177.300 0.018 0.000 1.147 91 P CA 0.961 64.075 63.100 0.022 0.000 0.790 91 P CB 0.006 31.540 31.700 -0.276 0.000 0.780 92 Y N -0.911 119.467 120.300 0.131 0.000 2.470 92 Y HA 0.379 4.930 4.550 0.001 0.000 0.284 92 Y C 1.239 177.157 175.900 0.030 0.000 1.188 92 Y CA -0.786 57.251 58.100 -0.105 0.000 1.269 92 Y CB -0.780 37.566 38.460 -0.189 0.000 1.094 92 Y HN -0.168 nan 8.280 nan 0.000 0.518 93 A N 0.928 123.905 122.820 0.262 0.000 2.584 93 A HA -0.004 4.316 4.320 0.001 0.000 0.239 93 A C 1.266 179.030 177.584 0.300 0.000 1.043 93 A CA -0.095 52.094 52.037 0.252 0.000 0.756 93 A CB 0.411 19.491 19.000 0.133 0.000 0.963 93 A HN 0.354 nan 8.150 nan 0.000 0.511 94 R N 0.515 121.209 120.500 0.322 0.000 2.246 94 R HA 0.223 4.564 4.340 0.001 0.000 0.199 94 R C -0.677 175.905 176.300 0.470 0.000 0.984 94 R CA 0.542 56.871 56.100 0.382 0.000 1.015 94 R CB -0.373 30.108 30.300 0.302 0.000 0.930 94 R HN 0.677 nan 8.270 nan 0.000 0.475 95 F N -0.724 119.330 119.950 0.175 0.000 2.688 95 F HA 0.365 4.893 4.527 0.002 0.000 0.308 95 F C -1.574 174.270 175.800 0.075 0.000 1.117 95 F CA -1.242 56.843 58.000 0.141 0.000 0.976 95 F CB 1.252 40.329 39.000 0.129 0.000 1.291 95 F HN -0.241 nan 8.300 nan 0.000 0.439 96 L N 7.345 128.178 121.223 -0.650 0.000 2.488 96 L HA 0.342 4.683 4.340 0.001 0.000 0.250 96 L C -1.881 174.547 176.870 -0.737 0.000 1.280 96 L CA -1.309 53.237 54.840 -0.490 0.000 0.929 96 L CB 1.553 43.459 42.059 -0.255 0.000 1.200 96 L HN 0.399 nan 8.230 nan 0.000 0.495 97 P HA -0.102 nan 4.420 nan 0.000 0.222 97 P C 0.266 177.389 177.300 -0.294 0.000 1.147 97 P CA 1.111 63.903 63.100 -0.513 0.000 0.790 97 P CB 0.361 31.976 31.700 -0.142 0.000 0.780 98 D N -0.713 119.546 120.400 -0.235 0.000 2.424 98 D HA 0.304 4.945 4.640 0.001 0.000 0.220 98 D C 1.234 177.444 176.300 -0.150 0.000 1.150 98 D CA 0.396 54.304 54.000 -0.153 0.000 0.831 98 D CB 0.463 41.204 40.800 -0.099 0.000 0.981 98 D HN 0.113 nan 8.370 nan 0.000 0.500 99 G N 0.762 109.430 108.800 -0.219 0.000 2.728 99 G HA2 -0.271 3.690 3.960 0.001 0.000 0.294 99 G HA3 -0.271 3.690 3.960 0.001 0.000 0.294 99 G C 0.956 175.757 174.900 -0.164 0.000 1.342 99 G CA -0.269 44.717 45.100 -0.190 0.000 0.866 99 G HN 0.362 nan 8.290 nan 0.000 0.534 100 V N -2.960 116.839 119.914 -0.191 0.000 3.141 100 V HA 0.108 4.229 4.120 0.001 0.000 0.265 100 V C 1.641 177.598 176.094 -0.227 0.000 1.126 100 V CA 2.247 64.429 62.300 -0.198 0.000 1.141 100 V CB -0.550 31.156 31.823 -0.195 0.000 0.743 100 V HN 0.777 nan 8.190 nan 0.000 0.492 101 H N 0.628 119.748 119.070 0.084 0.000 2.549 101 H HA 0.502 5.059 4.556 0.001 0.000 0.279 101 H C 1.127 176.425 175.328 -0.050 0.000 1.018 101 H CA 0.508 56.601 56.048 0.075 0.000 1.175 101 H CB 0.566 30.388 29.762 0.100 0.000 1.485 101 H HN 0.595 nan 8.280 nan 0.000 0.543 102 G N 0.367 109.155 108.800 -0.021 0.000 2.613 102 G HA2 0.272 4.233 3.960 0.001 0.000 0.303 102 G HA3 0.272 4.233 3.960 0.001 0.000 0.303 102 G C -0.241 174.566 174.900 -0.154 0.000 1.312 102 G CA -0.647 44.405 45.100 -0.080 0.000 1.036 102 G HN 0.125 nan 8.290 nan 0.000 0.513 103 E N -0.439 119.663 120.200 -0.163 0.000 2.398 103 E HA 0.379 4.730 4.350 0.001 0.000 0.263 103 E C 0.509 176.941 176.600 -0.281 0.000 1.046 103 E CA -0.092 56.165 56.400 -0.238 0.000 0.908 103 E CB 0.994 30.591 29.700 -0.172 0.000 0.963 103 E HN 0.539 nan 8.360 nan 0.000 0.431 104 A N 2.788 125.317 122.820 -0.485 0.000 2.287 104 A HA 0.180 4.500 4.320 0.001 0.000 0.273 104 A C -0.013 177.468 177.584 -0.171 0.000 1.091 104 A CA -0.311 51.481 52.037 -0.408 0.000 0.817 104 A CB 0.656 19.253 19.000 -0.671 0.000 1.069 104 A HN 0.714 nan 8.150 nan 0.000 0.492 105 E N 0.573 120.829 120.200 0.092 0.000 2.183 105 E HA 0.500 4.851 4.350 0.001 0.000 0.271 105 E C -1.231 175.572 176.600 0.339 0.000 0.919 105 E CA -0.685 55.859 56.400 0.240 0.000 0.781 105 E CB 1.475 31.337 29.700 0.270 0.000 1.140 105 E HN 0.402 nan 8.360 nan 0.000 0.402 106 V N 4.191 124.286 119.914 0.303 0.000 2.572 106 V HA 0.121 4.242 4.120 0.001 0.000 0.291 106 V C -0.049 176.060 176.094 0.025 0.000 1.039 106 V CA -0.157 62.228 62.300 0.141 0.000 1.055 106 V CB 1.043 32.877 31.823 0.018 0.000 0.969 106 V HN 0.441 nan 8.190 nan 0.000 0.482 107 V N 3.884 123.747 119.914 -0.084 0.000 2.604 107 V HA 0.456 4.577 4.120 0.001 0.000 0.305 107 V C -0.537 175.294 176.094 -0.438 0.000 1.043 107 V CA -0.665 61.482 62.300 -0.254 0.000 0.888 107 V CB 2.141 33.767 31.823 -0.329 0.000 0.995 107 V HN 0.907 nan 8.190 nan 0.000 0.429 108 D N 2.468 122.639 120.400 -0.381 0.000 2.414 108 D HA 0.384 5.025 4.640 0.001 0.000 0.232 108 D C 0.217 176.331 176.300 -0.309 0.000 1.070 108 D CA -0.472 53.343 54.000 -0.308 0.000 0.839 108 D CB 1.292 42.010 40.800 -0.137 0.000 1.079 108 D HN 0.283 nan 8.370 nan 0.000 0.521 109 F N 1.724 121.668 119.950 -0.010 0.000 2.661 109 F HA 0.181 4.709 4.527 0.001 0.000 0.298 109 F C 2.421 178.257 175.800 0.061 0.000 1.137 109 F CA 0.400 58.390 58.000 -0.017 0.000 1.454 109 F CB -0.056 38.928 39.000 -0.027 0.000 1.103 109 F HN 0.538 nan 8.300 nan 0.000 0.577 110 G N -1.135 107.771 108.800 0.177 0.000 2.650 110 G HA2 -0.104 3.857 3.960 0.001 0.000 0.214 110 G HA3 -0.104 3.857 3.960 0.001 0.000 0.214 110 G C 1.657 176.627 174.900 0.118 0.000 1.136 110 G CA 0.955 46.150 45.100 0.159 0.000 0.789 110 G HN 0.268 nan 8.290 nan 0.000 0.536 111 T N 0.693 115.292 114.554 0.075 0.000 2.732 111 T HA 0.014 4.365 4.350 0.001 0.000 0.261 111 T C 0.837 175.552 174.700 0.024 0.000 1.040 111 T CA 0.017 62.136 62.100 0.031 0.000 1.145 111 T CB -0.200 68.669 68.868 0.001 0.000 0.866 111 T HN 0.140 nan 8.240 nan 0.000 0.427 112 F N 3.259 123.119 119.950 -0.150 0.000 2.629 112 F HA 0.056 4.584 4.527 0.002 0.000 0.377 112 F C -0.040 175.556 175.800 -0.339 0.000 1.101 112 F CA -0.622 57.178 58.000 -0.333 0.000 1.301 112 F CB 0.329 38.971 39.000 -0.597 0.000 1.062 112 F HN 0.016 nan 8.300 nan 0.000 0.583 113 D N 6.836 126.651 120.400 -0.975 0.000 2.479 113 D HA 0.047 4.688 4.640 0.001 0.000 0.218 113 D C -0.702 175.212 176.300 -0.643 0.000 1.131 113 D CA 0.054 53.712 54.000 -0.571 0.000 0.916 113 D CB -0.060 40.477 40.800 -0.437 0.000 1.022 113 D HN 0.421 nan 8.370 nan 0.000 0.515 114 W N 0.843 122.086 121.300 -0.095 0.000 2.181 114 W HA 0.078 4.739 4.660 0.001 0.000 0.335 114 W C 1.721 178.264 176.519 0.041 0.000 1.310 114 W CA -0.244 57.154 57.345 0.087 0.000 1.226 114 W CB 0.728 30.303 29.460 0.192 0.000 1.155 114 W HN 0.219 nan 8.180 nan 0.000 0.565 115 T N -2.250 112.500 114.554 0.326 0.000 3.182 115 T HA -0.000 4.351 4.350 0.001 0.000 0.277 115 T C 0.197 175.036 174.700 0.231 0.000 1.013 115 T CA -0.294 61.927 62.100 0.201 0.000 0.900 115 T CB -0.259 68.667 68.868 0.097 0.000 1.098 115 T HN 0.430 nan 8.240 nan 0.000 0.543 116 D N 0.675 121.276 120.400 0.335 0.000 2.615 116 D HA 0.400 5.040 4.640 0.001 0.000 0.236 116 D C 1.446 177.851 176.300 0.175 0.000 1.233 116 D CA -0.335 53.835 54.000 0.283 0.000 0.829 116 D CB 0.162 41.214 40.800 0.420 0.000 1.024 116 D HN 0.357 nan 8.370 nan 0.000 0.490 117 A N 0.585 123.486 122.820 0.135 0.000 2.070 117 A HA -0.152 4.169 4.320 0.001 0.000 0.220 117 A C 1.456 179.004 177.584 -0.060 0.000 1.159 117 A CA 1.011 53.081 52.037 0.055 0.000 0.656 117 A CB -0.136 18.914 19.000 0.084 0.000 0.800 117 A HN 0.111 nan 8.150 nan 0.000 0.453 118 D N -1.746 118.628 120.400 -0.043 0.000 2.328 118 D HA 0.011 4.652 4.640 0.001 0.000 0.226 118 D C 0.115 176.204 176.300 -0.352 0.000 1.066 118 D CA -0.118 53.802 54.000 -0.134 0.000 0.861 118 D CB -0.110 40.707 40.800 0.027 0.000 0.912 118 D HN 0.705 nan 8.370 nan 0.000 0.521 119 W N 1.029 122.009 121.300 -0.533 0.000 2.351 119 W HA 0.160 4.821 4.660 0.001 0.000 0.311 119 W C -0.612 175.433 176.519 -0.790 0.000 1.168 119 W CA -0.151 56.868 57.345 -0.543 0.000 1.200 119 W CB 0.522 29.716 29.460 -0.444 0.000 1.221 119 W HN 0.006 nan 8.180 nan 0.000 0.519 120 H N 3.777 122.235 119.070 -1.019 0.000 2.549 120 H HA 0.334 4.891 4.556 0.001 0.000 0.253 120 H C 0.892 175.627 175.328 -0.989 0.000 1.170 120 H CA 0.340 55.908 56.048 -0.800 0.000 0.943 120 H CB 0.365 29.848 29.762 -0.466 0.000 1.849 120 H HN 0.730 nan 8.280 nan 0.000 0.603 121 G N 0.818 108.669 108.800 -1.580 0.000 2.741 121 G HA2 -0.248 3.712 3.960 0.001 0.000 0.222 121 G HA3 -0.248 3.712 3.960 0.001 0.000 0.222 121 G C -0.800 173.706 174.900 -0.658 0.000 1.364 121 G CA -0.280 44.365 45.100 -0.759 0.000 0.866 121 G HN 0.398 nan 8.290 nan 0.000 0.555 122 I N -0.649 119.858 120.570 -0.106 0.000 2.722 122 I HA 0.579 4.750 4.170 0.001 0.000 0.295 122 I C 0.039 176.198 176.117 0.069 0.000 1.161 122 I CA -1.125 60.179 61.300 0.007 0.000 1.032 122 I CB 1.612 39.775 38.000 0.272 0.000 1.244 122 I HN 0.675 nan 8.210 nan 0.000 0.421 123 K N 4.915 125.318 120.400 0.004 0.000 2.202 123 K HA 0.169 4.490 4.320 0.001 0.000 0.264 123 K C 0.609 177.231 176.600 0.037 0.000 1.010 123 K CA -0.513 55.785 56.287 0.019 0.000 0.940 123 K CB 1.249 33.730 32.500 -0.033 0.000 0.983 123 K HN 0.487 nan 8.250 nan 0.000 0.475 124 L N 3.203 124.464 121.223 0.064 0.000 2.043 124 L HA -0.214 4.126 4.340 0.001 0.000 0.212 124 L C 1.975 178.816 176.870 -0.049 0.000 1.075 124 L CA 2.082 56.945 54.840 0.038 0.000 0.752 124 L CB -0.705 41.407 42.059 0.088 0.000 0.891 124 L HN 0.869 nan 8.230 nan 0.000 0.432 125 A N -1.470 121.323 122.820 -0.044 0.000 2.125 125 A HA -0.165 4.156 4.320 0.001 0.000 0.219 125 A C 1.641 179.168 177.584 -0.095 0.000 1.156 125 A CA 1.741 53.737 52.037 -0.069 0.000 0.671 125 A CB -0.556 18.409 19.000 -0.059 0.000 0.794 125 A HN 0.564 nan 8.150 nan 0.000 0.459 126 D N -1.310 119.031 120.400 -0.097 0.000 2.369 126 D HA 0.145 4.786 4.640 0.001 0.000 0.211 126 D C -0.182 176.030 176.300 -0.146 0.000 1.077 126 D CA 0.024 53.961 54.000 -0.105 0.000 0.842 126 D CB -0.122 40.633 40.800 -0.075 0.000 0.947 126 D HN 0.298 nan 8.370 nan 0.000 0.509 127 C N 1.120 120.270 119.300 -0.250 0.000 2.527 127 C HA 0.431 4.892 4.460 0.001 0.000 0.396 127 C C 0.606 175.314 174.990 -0.469 0.000 1.289 127 C CA -0.602 58.112 59.018 -0.507 0.000 2.047 127 C CB 0.899 28.002 27.740 -1.062 0.000 2.568 127 C HN -0.035 nan 8.230 nan 0.000 0.573 128 V N 4.694 124.370 119.914 -0.396 0.000 2.380 128 V HA 0.333 4.454 4.120 0.001 0.000 0.286 128 V C -0.426 175.551 176.094 -0.194 0.000 1.015 128 V CA -0.272 61.890 62.300 -0.230 0.000 0.834 128 V CB 0.497 32.278 31.823 -0.071 0.000 1.009 128 V HN 0.668 nan 8.190 nan 0.000 0.428 129 F N 3.811 123.748 119.950 -0.021 0.000 2.418 129 F HA 0.451 4.979 4.527 0.002 0.000 0.341 129 F C -0.143 175.718 175.800 0.101 0.000 1.120 129 F CA -0.325 57.675 58.000 0.000 0.000 1.232 129 F CB 0.650 39.603 39.000 -0.078 0.000 1.175 129 F HN 0.480 nan 8.300 nan 0.000 0.569 130 Y N 2.163 122.592 120.300 0.215 0.000 2.349 130 Y HA 0.253 4.803 4.550 0.002 0.000 0.324 130 Y C -0.422 175.502 175.900 0.040 0.000 1.005 130 Y CA -0.882 57.276 58.100 0.097 0.000 1.240 130 Y CB 0.847 39.353 38.460 0.076 0.000 1.117 130 Y HN 0.654 nan 8.280 nan 0.000 0.463 131 E N 5.856 125.947 120.200 -0.182 0.000 2.180 131 E HA 0.438 4.788 4.350 0.001 0.000 0.283 131 E C -1.046 175.315 176.600 -0.398 0.000 1.061 131 E CA -0.518 55.805 56.400 -0.128 0.000 0.861 131 E CB 0.665 30.414 29.700 0.081 0.000 1.056 131 E HN 0.512 nan 8.360 nan 0.000 0.407 132 V N 2.324 122.092 119.914 -0.244 0.000 2.667 132 V HA 0.402 4.523 4.120 0.001 0.000 0.308 132 V C -0.427 175.564 176.094 -0.173 0.000 1.048 132 V CA -0.888 61.191 62.300 -0.368 0.000 0.928 132 V CB 1.700 33.164 31.823 -0.598 0.000 1.004 132 V HN 0.724 nan 8.190 nan 0.000 0.444 133 H N 2.810 121.777 119.070 -0.171 0.000 2.638 133 H HA 0.423 4.979 4.556 0.001 0.000 0.303 133 H C 0.374 175.771 175.328 0.115 0.000 1.034 133 H CA -0.278 55.801 56.048 0.052 0.000 1.225 133 H CB 2.100 32.023 29.762 0.268 0.000 1.394 133 H HN 0.609 nan 8.280 nan 0.000 0.477 134 V N 4.561 124.168 119.914 -0.511 0.000 2.324 134 V HA -0.261 3.860 4.120 0.001 0.000 0.250 134 V C 2.563 178.475 176.094 -0.302 0.000 1.060 134 V CA 2.340 64.334 62.300 -0.509 0.000 1.042 134 V CB -0.687 30.518 31.823 -1.029 0.000 0.650 134 V HN 0.918 nan 8.190 nan 0.000 0.450 135 G N -0.224 108.392 108.800 -0.307 0.000 2.432 135 G HA2 -0.221 3.739 3.960 0.001 0.000 0.219 135 G HA3 -0.221 3.739 3.960 0.001 0.000 0.219 135 G C 1.598 176.862 174.900 0.606 0.000 1.135 135 G CA 1.589 46.983 45.100 0.491 0.000 0.767 135 G HN 0.612 nan 8.290 nan 0.000 0.550 136 T N -3.028 111.964 114.554 0.729 0.000 3.001 136 T HA 0.173 4.524 4.350 0.001 0.000 0.251 136 T C 1.860 176.814 174.700 0.423 0.000 1.040 136 T CA -0.040 62.344 62.100 0.474 0.000 0.985 136 T CB -0.138 69.087 68.868 0.594 0.000 1.011 136 T HN 0.046 nan 8.240 nan 0.000 0.509 137 F N 4.447 124.566 119.950 0.281 0.000 2.216 137 F HA 0.096 4.624 4.527 0.001 0.000 0.300 137 F C 0.919 177.011 175.800 0.487 0.000 1.085 137 F CA 1.159 59.343 58.000 0.306 0.000 1.326 137 F CB -0.406 38.740 39.000 0.244 0.000 1.027 137 F HN 0.342 nan 8.300 nan 0.000 0.497 138 T N -4.381 110.363 114.554 0.316 0.000 2.883 138 T HA 0.393 4.744 4.350 0.001 0.000 0.296 138 T C -2.005 172.781 174.700 0.143 0.000 1.117 138 T CA -1.827 60.380 62.100 0.178 0.000 1.006 138 T CB 1.530 70.405 68.868 0.011 0.000 1.191 138 T HN -0.354 nan 8.240 nan 0.000 0.508 139 P HA -0.094 nan 4.420 nan 0.000 0.215 139 P C 1.105 178.444 177.300 0.065 0.000 1.157 139 P CA 1.308 64.442 63.100 0.057 0.000 0.874 139 P CB 0.066 31.784 31.700 0.030 0.000 0.790 140 E N -1.379 118.856 120.200 0.058 0.000 2.150 140 E HA 0.082 4.433 4.350 0.001 0.000 0.193 140 E C 1.374 178.050 176.600 0.127 0.000 0.985 140 E CA 1.052 57.496 56.400 0.074 0.000 0.814 140 E CB -0.887 28.839 29.700 0.043 0.000 0.752 140 E HN 0.200 nan 8.360 nan 0.000 0.466 141 G N 1.260 110.145 108.800 0.141 0.000 2.225 141 G HA2 -0.273 3.688 3.960 0.001 0.000 0.264 141 G HA3 -0.273 3.688 3.960 0.001 0.000 0.264 141 G C 0.191 175.151 174.900 0.100 0.000 1.060 141 G CA 0.590 45.806 45.100 0.193 0.000 0.833 141 G HN 0.410 nan 8.290 nan 0.000 0.498 142 T N -3.936 110.634 114.554 0.026 0.000 2.907 142 T HA 0.650 5.001 4.350 0.001 0.000 0.290 142 T C 0.974 175.631 174.700 -0.072 0.000 1.066 142 T CA -0.326 61.724 62.100 -0.083 0.000 1.012 142 T CB 1.355 70.223 68.868 -0.001 0.000 1.184 142 T HN 0.156 nan 8.240 nan 0.000 0.522 143 Y N 0.176 120.527 120.300 0.085 0.000 2.181 143 Y HA -0.104 4.447 4.550 0.001 0.000 0.288 143 Y C 3.016 178.950 175.900 0.057 0.000 1.146 143 Y CA 0.461 58.598 58.100 0.061 0.000 1.164 143 Y CB -0.239 38.261 38.460 0.067 0.000 0.982 143 Y HN 0.364 nan 8.280 nan 0.000 0.515 144 R N 0.452 121.074 120.500 0.204 0.000 2.091 144 R HA -0.148 4.193 4.340 0.001 0.000 0.238 144 R C 2.443 178.788 176.300 0.076 0.000 1.136 144 R CA 1.259 57.431 56.100 0.120 0.000 0.959 144 R CB -1.110 29.241 30.300 0.085 0.000 0.856 144 R HN 0.419 nan 8.270 nan 0.000 0.437 145 A N 0.922 123.780 122.820 0.064 0.000 1.930 145 A HA 0.002 4.323 4.320 0.001 0.000 0.217 145 A C 2.374 179.983 177.584 0.041 0.000 1.175 145 A CA 1.570 53.616 52.037 0.015 0.000 0.627 145 A CB -0.469 18.534 19.000 0.004 0.000 0.815 145 A HN 0.335 nan 8.150 nan 0.000 0.443 146 A N 0.057 122.981 122.820 0.173 0.000 1.902 146 A HA 0.150 4.471 4.320 0.001 0.000 0.217 146 A C 2.481 180.208 177.584 0.239 0.000 1.181 146 A CA 1.999 54.247 52.037 0.351 0.000 0.623 146 A CB -1.015 18.221 19.000 0.393 0.000 0.818 146 A HN 1.082 nan 8.150 nan 0.000 0.443 147 A N -0.344 122.561 122.820 0.141 0.000 1.978 147 A HA -0.163 4.158 4.320 0.001 0.000 0.220 147 A C 1.785 179.395 177.584 0.043 0.000 1.170 147 A CA 1.712 53.799 52.037 0.083 0.000 0.636 147 A CB -0.403 18.631 19.000 0.057 0.000 0.810 147 A HN 0.455 nan 8.150 nan 0.000 0.448 148 E N 0.057 120.260 120.200 0.004 0.000 2.338 148 E HA -0.096 4.255 4.350 0.001 0.000 0.197 148 E C 1.074 177.616 176.600 -0.096 0.000 1.007 148 E CA 0.687 57.051 56.400 -0.060 0.000 0.849 148 E CB -0.064 29.571 29.700 -0.109 0.000 0.774 148 E HN 0.495 nan 8.360 nan 0.000 0.506 149 K N 0.199 120.563 120.400 -0.061 0.000 2.374 149 K HA 0.174 4.495 4.320 0.001 0.000 0.196 149 K C 2.034 178.732 176.600 0.162 0.000 1.023 149 K CA -0.116 56.140 56.287 -0.052 0.000 1.103 149 K CB 0.245 32.651 32.500 -0.158 0.000 0.848 149 K HN 0.157 nan 8.250 nan 0.000 0.528 150 L N 1.243 122.536 121.223 0.117 0.000 2.012 150 L HA -0.167 4.174 4.340 0.001 0.000 0.210 150 L C -0.684 176.224 176.870 0.064 0.000 1.073 150 L CA 1.664 56.558 54.840 0.089 0.000 0.748 150 L CB -1.546 40.537 42.059 0.041 0.000 0.891 150 L HN 0.060 nan 8.230 nan 0.000 0.431 151 P HA -0.234 nan 4.420 nan 0.000 0.216 151 P C 1.378 178.718 177.300 0.068 0.000 1.150 151 P CA 1.317 64.444 63.100 0.044 0.000 0.837 151 P CB -0.096 31.625 31.700 0.034 0.000 0.786 152 Y N 0.498 120.796 120.300 -0.002 0.000 2.145 152 Y HA -0.184 4.367 4.550 0.001 0.000 0.286 152 Y C 1.986 177.911 175.900 0.042 0.000 1.145 152 Y CA 1.528 59.648 58.100 0.033 0.000 1.148 152 Y CB -1.089 37.403 38.460 0.053 0.000 0.981 152 Y HN -0.207 nan 8.280 nan 0.000 0.507 153 L N 0.128 121.291 121.223 -0.099 0.000 2.056 153 L HA -0.173 4.167 4.340 0.001 0.000 0.207 153 L C 2.522 179.266 176.870 -0.210 0.000 1.078 153 L CA 1.656 56.329 54.840 -0.278 0.000 0.749 153 L CB -0.614 41.355 42.059 -0.150 0.000 0.901 153 L HN 0.134 nan 8.230 nan 0.000 0.433 154 K N 0.600 120.939 120.400 -0.101 0.000 2.009 154 K HA -0.248 4.073 4.320 0.001 0.000 0.210 154 K C 2.122 178.677 176.600 -0.075 0.000 1.049 154 K CA 1.609 57.860 56.287 -0.060 0.000 0.929 154 K CB -0.264 32.224 32.500 -0.021 0.000 0.714 154 K HN 0.091 nan 8.250 nan 0.000 0.440 155 E N 0.245 120.389 120.200 -0.093 0.000 2.150 155 E HA -0.152 4.199 4.350 0.001 0.000 0.193 155 E C 1.908 178.438 176.600 -0.118 0.000 0.985 155 E CA 0.867 57.220 56.400 -0.079 0.000 0.814 155 E CB -0.181 29.492 29.700 -0.045 0.000 0.752 155 E HN 0.298 nan 8.360 nan 0.000 0.466 156 L N -0.000 121.074 121.223 -0.248 0.000 2.042 156 L HA -0.080 4.261 4.340 0.001 0.000 0.210 156 L C 1.588 178.414 176.870 -0.073 0.000 1.076 156 L CA 2.640 57.348 54.840 -0.221 0.000 0.749 156 L CB -0.381 41.423 42.059 -0.425 0.000 0.893 156 L HN 0.312 nan 8.230 nan 0.000 0.432 157 G N -1.802 106.955 108.800 -0.072 0.000 2.183 157 G HA2 -0.145 3.816 3.960 0.001 0.000 0.168 157 G HA3 -0.145 3.816 3.960 0.001 0.000 0.168 157 G C 0.255 175.152 174.900 -0.004 0.000 1.008 157 G CA 0.121 45.209 45.100 -0.019 0.000 0.677 157 G HN 0.811 nan 8.290 nan 0.000 0.498 158 V N -0.734 119.171 119.914 -0.016 0.000 3.133 158 V HA 0.828 4.949 4.120 0.001 0.000 0.305 158 V C 1.225 177.321 176.094 0.004 0.000 1.084 158 V CA 1.236 63.546 62.300 0.017 0.000 1.089 158 V CB 1.387 33.252 31.823 0.070 0.000 1.073 158 V HN 1.002 nan 8.190 nan 0.000 0.477 159 T N -1.862 112.694 114.554 0.004 0.000 3.016 159 T HA 0.666 5.017 4.350 0.001 0.000 0.271 159 T C 0.306 175.053 174.700 0.077 0.000 0.968 159 T CA 0.438 62.554 62.100 0.027 0.000 0.891 159 T CB 0.231 69.103 68.868 0.007 0.000 1.149 159 T HN 1.781 nan 8.240 nan 0.000 0.524 160 A N 1.558 124.415 122.820 0.062 0.000 2.459 160 A HA 0.685 5.006 4.320 0.001 0.000 0.296 160 A C -1.198 176.577 177.584 0.319 0.000 1.039 160 A CA -0.808 51.355 52.037 0.210 0.000 0.698 160 A CB 1.047 20.049 19.000 0.004 0.000 1.261 160 A HN 0.272 nan 8.150 nan 0.000 0.405 161 I N 2.218 123.012 120.570 0.374 0.000 2.304 161 I HA 0.320 4.491 4.170 0.001 0.000 0.291 161 I C 0.232 176.585 176.117 0.393 0.000 1.018 161 I CA -0.236 61.256 61.300 0.320 0.000 1.260 161 I CB 0.966 39.078 38.000 0.187 0.000 1.390 161 I HN 0.793 nan 8.210 nan 0.000 0.475 162 Q N 6.918 126.907 119.800 0.316 0.000 2.398 162 Q HA 0.461 4.802 4.340 0.001 0.000 0.251 162 Q C -1.025 175.048 176.000 0.123 0.000 0.999 162 Q CA -0.259 55.685 55.803 0.235 0.000 0.874 162 Q CB 1.083 29.900 28.738 0.130 0.000 1.215 162 Q HN 0.494 nan 8.270 nan 0.000 0.470 166 L N -0.181 120.972 121.223 -0.116 0.000 2.731 166 L HA 0.468 4.809 4.340 0.001 0.000 0.240 166 L C 0.933 177.971 176.870 0.280 0.000 1.120 166 L CA -0.190 54.753 54.840 0.173 0.000 0.913 166 L CB 0.233 42.346 42.059 0.089 0.000 1.213 166 L HN 0.567 nan 8.230 nan 0.000 0.515 167 A N 1.386 124.336 122.820 0.216 0.000 2.540 167 A HA 0.443 4.763 4.320 0.001 0.000 0.239 167 A C 0.792 178.597 177.584 0.368 0.000 1.061 167 A CA 0.179 52.441 52.037 0.373 0.000 0.758 167 A CB 0.104 19.295 19.000 0.317 0.000 0.991 167 A HN 0.276 nan 8.150 nan 0.000 0.502 168 A N 2.102 125.132 122.820 0.351 0.000 2.520 168 A HA 0.503 4.824 4.320 0.001 0.000 0.245 168 A C 0.028 177.750 177.584 0.230 0.000 1.072 168 A CA 0.341 52.513 52.037 0.225 0.000 0.761 168 A CB -0.648 18.447 19.000 0.158 0.000 1.004 168 A HN 1.491 nan 8.150 nan 0.000 0.499 169 F N -0.019 119.976 119.950 0.074 0.000 2.654 169 F HA 0.719 5.247 4.527 0.001 0.000 0.334 169 F C -0.331 175.484 175.800 0.025 0.000 1.078 169 F CA -1.747 56.250 58.000 -0.004 0.000 0.986 169 F CB 0.734 39.656 39.000 -0.129 0.000 1.362 169 F HN 0.406 nan 8.300 nan 0.000 0.498 170 D N 0.109 120.643 120.400 0.223 0.000 2.341 170 D HA 0.494 5.135 4.640 0.001 0.000 0.245 170 D C 0.378 176.732 176.300 0.091 0.000 1.106 170 D CA 1.561 55.630 54.000 0.116 0.000 0.905 170 D CB 1.295 42.215 40.800 0.201 0.000 1.202 170 D HN 1.130 nan 8.370 nan 0.000 0.426 171 G N 2.377 111.210 108.800 0.055 0.000 2.710 171 G HA2 -0.160 3.801 3.960 0.001 0.000 0.668 171 G HA3 -0.160 3.801 3.960 0.001 0.000 0.668 171 G C 0.119 175.062 174.900 0.072 0.000 1.320 171 G CA -0.417 44.706 45.100 0.038 0.000 0.860 171 G HN 0.440 nan 8.290 nan 0.000 0.538 172 Q N 0.060 119.882 119.800 0.037 0.000 2.282 172 Q HA 0.151 4.492 4.340 0.001 0.000 0.206 172 Q C 1.391 177.407 176.000 0.027 0.000 0.878 172 Q CA 1.092 56.901 55.803 0.011 0.000 0.944 172 Q CB 0.475 29.186 28.738 -0.046 0.000 1.100 172 Q HN 0.837 nan 8.270 nan 0.000 0.509 173 R N -1.927 118.609 120.500 0.060 0.000 2.716 173 R HA 0.778 5.119 4.340 0.001 0.000 0.271 173 R C -0.701 175.806 176.300 0.345 0.000 1.028 173 R CA -0.462 55.674 56.100 0.060 0.000 0.883 173 R CB 0.767 30.559 30.300 -0.847 0.000 1.250 173 R HN -0.031 nan 8.270 nan 0.000 0.465 174 G N -0.638 108.473 108.800 0.518 0.000 2.355 174 G HA2 0.304 4.265 3.960 0.001 0.000 0.296 174 G HA3 0.304 4.265 3.960 0.001 0.000 0.296 174 G C -1.074 173.928 174.900 0.169 0.000 1.507 174 G CA -0.743 44.355 45.100 -0.003 0.000 0.823 174 G HN 0.439 nan 8.290 nan 0.000 0.569 175 W N 0.214 121.259 121.300 -0.426 0.000 2.374 175 W HA 0.267 4.928 4.660 0.002 0.000 0.288 175 W C 2.156 178.583 176.519 -0.153 0.000 1.218 175 W CA 2.213 59.483 57.345 -0.125 0.000 1.245 175 W CB -0.125 29.370 29.460 0.059 0.000 1.126 175 W HN 1.810 nan 8.180 nan 0.000 0.545 176 G N -3.158 105.390 108.800 -0.420 0.000 2.296 176 G HA2 -0.278 3.683 3.960 0.001 0.000 0.188 176 G HA3 -0.278 3.683 3.960 0.001 0.000 0.188 176 G C 0.576 175.118 174.900 -0.596 0.000 1.000 176 G CA 0.001 44.730 45.100 -0.619 0.000 0.672 176 G HN 0.259 nan 8.290 nan 0.000 0.483 177 Y N 1.658 121.933 120.300 -0.042 0.000 2.578 177 Y HA 0.248 4.799 4.550 0.001 0.000 0.297 177 Y C 1.567 177.588 175.900 0.201 0.000 1.176 177 Y CA 0.790 58.956 58.100 0.109 0.000 1.315 177 Y CB 0.321 38.948 38.460 0.278 0.000 1.031 177 Y HN 0.145 nan 8.280 nan 0.000 0.524 178 D N -0.436 120.001 120.400 0.062 0.000 2.368 178 D HA 0.109 4.750 4.640 0.001 0.000 0.218 178 D C 1.121 177.501 176.300 0.133 0.000 1.112 178 D CA 0.080 54.133 54.000 0.088 0.000 0.834 178 D CB -0.048 40.766 40.800 0.024 0.000 0.953 178 D HN 0.227 nan 8.370 nan 0.000 0.505 179 G N 0.526 109.402 108.800 0.126 0.000 2.257 179 G HA2 0.201 4.162 3.960 0.001 0.000 0.235 179 G HA3 0.201 4.162 3.960 0.001 0.000 0.235 179 G C 0.795 175.974 174.900 0.464 0.000 1.225 179 G CA 0.353 45.640 45.100 0.311 0.000 0.878 179 G HN 0.210 nan 8.290 nan 0.000 0.505 180 A N 1.879 124.993 122.820 0.491 0.000 2.140 180 A HA 0.706 5.027 4.320 0.001 0.000 0.199 180 A C 1.326 179.207 177.584 0.495 0.000 1.416 180 A CA 1.042 53.375 52.037 0.493 0.000 1.018 180 A CB 0.467 19.624 19.000 0.262 0.000 1.117 180 A HN 1.743 nan 8.150 nan 0.000 0.480 181 A N -0.080 123.037 122.820 0.495 0.000 2.508 181 A HA 0.626 4.947 4.320 0.001 0.000 0.336 181 A C 0.055 178.029 177.584 0.651 0.000 1.360 181 A CA -0.523 51.793 52.037 0.465 0.000 0.841 181 A CB -0.296 18.892 19.000 0.312 0.000 1.136 181 A HN 0.179 nan 8.150 nan 0.000 0.489 182 F N 0.378 120.634 119.950 0.510 0.000 2.451 182 F HA -0.039 4.489 4.527 0.001 0.000 0.299 182 F C 1.084 177.003 175.800 0.197 0.000 1.101 182 F CA 1.115 59.327 58.000 0.354 0.000 1.436 182 F CB -0.641 38.546 39.000 0.312 0.000 1.074 182 F HN 0.770 nan 8.300 nan 0.000 0.553 183 Y N -0.678 119.793 120.300 0.284 0.000 2.466 183 Y HA 0.442 4.992 4.550 0.001 0.000 0.272 183 Y C 1.019 176.978 175.900 0.098 0.000 1.169 183 Y CA -0.027 58.088 58.100 0.025 0.000 1.285 183 Y CB 0.033 38.511 38.460 0.031 0.000 1.078 183 Y HN -0.120 nan 8.280 nan 0.000 0.523 184 A N 1.309 124.367 122.820 0.398 0.000 2.267 184 A HA 0.519 4.840 4.320 0.001 0.000 0.315 184 A C -2.776 175.095 177.584 0.480 0.000 1.297 184 A CA -1.873 50.412 52.037 0.414 0.000 0.865 184 A CB 0.214 19.404 19.000 0.318 0.000 1.165 184 A HN -0.112 nan 8.150 nan 0.000 0.513 185 P HA 0.023 nan 4.420 nan 0.000 0.271 185 P C -0.564 177.066 177.300 0.550 0.000 1.216 185 P CA 0.142 63.610 63.100 0.613 0.000 0.771 185 P CB 0.149 32.192 31.700 0.571 0.000 0.864 186 Y N 3.507 123.943 120.300 0.226 0.000 2.745 186 Y HA 0.078 4.629 4.550 0.002 0.000 0.335 186 Y C 1.540 177.385 175.900 -0.090 0.000 1.212 186 Y CA -0.087 57.930 58.100 -0.139 0.000 1.535 186 Y CB -0.057 38.101 38.460 -0.502 0.000 1.220 186 Y HN 0.558 nan 8.280 nan 0.000 0.531 187 A N 7.369 129.924 122.820 -0.442 0.000 1.940 187 A HA -0.105 4.216 4.320 0.001 0.000 0.219 187 A C -0.334 177.049 177.584 -0.335 0.000 1.176 187 A CA 1.398 53.304 52.037 -0.219 0.000 0.631 187 A CB -1.608 17.140 19.000 -0.419 0.000 0.814 187 A HN 0.724 nan 8.150 nan 0.000 0.446 188 P HA -0.142 nan 4.420 nan 0.000 0.221 188 P C 0.842 178.029 177.300 -0.187 0.000 1.145 188 P CA 0.969 63.765 63.100 -0.506 0.000 0.795 188 P CB -0.191 31.086 31.700 -0.704 0.000 0.775 189 Y N -1.219 118.893 120.300 -0.313 0.000 2.457 189 Y HA 0.165 4.716 4.550 0.001 0.000 0.292 189 Y C 1.473 177.036 175.900 -0.560 0.000 1.125 189 Y CA -0.131 57.683 58.100 -0.476 0.000 1.254 189 Y CB 0.152 38.168 38.460 -0.740 0.000 1.012 189 Y HN -0.012 nan 8.280 nan 0.000 0.555 190 G N 0.090 108.887 108.800 -0.005 0.000 2.347 190 G HA2 0.070 4.031 3.960 0.001 0.000 0.321 190 G HA3 0.070 4.031 3.960 0.001 0.000 0.321 190 G C -1.406 173.683 174.900 0.314 0.000 1.412 190 G CA -1.181 44.026 45.100 0.177 0.000 0.990 190 G HN -0.022 nan 8.290 nan 0.000 0.637 191 R N 0.655 121.242 120.500 0.146 0.000 2.580 191 R HA 0.417 4.758 4.340 0.001 0.000 0.267 191 R C -1.446 174.761 176.300 -0.155 0.000 1.125 191 R CA -1.257 54.703 56.100 -0.234 0.000 1.188 191 R CB 0.694 30.865 30.300 -0.216 0.000 1.155 191 R HN 0.261 nan 8.270 nan 0.000 0.586 192 P HA -0.237 nan 4.420 nan 0.000 0.216 192 P C 0.797 178.097 177.300 -0.000 0.000 1.153 192 P CA 1.400 64.511 63.100 0.017 0.000 0.858 192 P CB 0.095 31.806 31.700 0.018 0.000 0.789 193 E N -0.460 119.683 120.200 -0.095 0.000 2.268 193 E HA -0.188 4.163 4.350 0.001 0.000 0.195 193 E C 1.065 177.609 176.600 -0.092 0.000 0.995 193 E CA 1.174 57.497 56.400 -0.129 0.000 0.836 193 E CB -1.058 28.655 29.700 0.022 0.000 0.763 193 E HN 0.293 nan 8.360 nan 0.000 0.491 194 D N 1.101 121.509 120.400 0.012 0.000 2.144 194 D HA -0.044 4.597 4.640 0.001 0.000 0.200 194 D C 1.311 177.607 176.300 -0.008 0.000 0.978 194 D CA 0.280 54.343 54.000 0.105 0.000 0.833 194 D CB -0.229 40.738 40.800 0.278 0.000 0.961 194 D HN 0.166 nan 8.370 nan 0.000 0.470 198 L N 1.218 122.381 121.223 -0.099 0.000 2.017 198 L HA -0.008 4.333 4.340 0.001 0.000 0.208 198 L C 2.181 178.947 176.870 -0.173 0.000 1.073 198 L CA 2.793 57.577 54.840 -0.093 0.000 0.745 198 L CB -0.629 41.372 42.059 -0.097 0.000 0.894 198 L HN 0.246 nan 8.230 nan 0.000 0.432 199 V N 0.000 119.755 119.914 -0.265 0.000 2.295 199 V HA -0.318 3.803 4.120 0.001 0.000 0.246 199 V C 2.362 178.243 176.094 -0.354 0.000 1.049 199 V CA 2.064 64.116 62.300 -0.412 0.000 1.024 199 V CB -0.833 30.730 31.823 -0.433 0.000 0.648 199 V HN 0.550 nan 8.190 nan 0.000 0.447 200 D N 0.018 120.424 120.400 0.010 0.000 2.123 200 D HA -0.163 4.478 4.640 0.001 0.000 0.196 200 D C 2.108 178.431 176.300 0.037 0.000 0.992 200 D CA 1.519 55.630 54.000 0.185 0.000 0.833 200 D CB -0.157 40.821 40.800 0.296 0.000 0.954 200 D HN 0.392 nan 8.370 nan 0.000 0.455 201 A N 0.326 123.135 122.820 -0.018 0.000 1.902 201 A HA 0.038 4.359 4.320 0.001 0.000 0.217 201 A C 2.338 179.883 177.584 -0.065 0.000 1.181 201 A CA 2.067 54.091 52.037 -0.022 0.000 0.623 201 A CB -1.021 17.971 19.000 -0.015 0.000 0.818 201 A HN 0.312 nan 8.150 nan 0.000 0.443 202 A N -0.645 122.089 122.820 -0.144 0.000 1.877 202 A HA -0.200 4.121 4.320 0.001 0.000 0.216 202 A C 1.941 179.390 177.584 -0.225 0.000 1.186 202 A CA 1.692 53.622 52.037 -0.179 0.000 0.620 202 A CB -1.089 17.763 19.000 -0.246 0.000 0.822 202 A HN 0.758 nan 8.150 nan 0.000 0.443 203 H N -1.164 117.662 119.070 -0.407 0.000 2.387 203 H HA -0.067 4.490 4.556 0.001 0.000 0.299 203 H C 2.312 177.468 175.328 -0.288 0.000 1.090 203 H CA 0.775 56.413 56.048 -0.684 0.000 1.332 203 H CB 0.095 29.481 29.762 -0.628 0.000 1.386 203 H HN 0.254 nan 8.280 nan 0.000 0.516 204 R N 0.779 121.288 120.500 0.014 0.000 2.120 204 R HA -0.084 4.257 4.340 0.001 0.000 0.234 204 R C 1.942 178.259 176.300 0.029 0.000 1.123 204 R CA 0.727 56.854 56.100 0.045 0.000 0.975 204 R CB -0.433 29.895 30.300 0.047 0.000 0.866 204 R HN 0.393 nan 8.270 nan 0.000 0.446 205 L N -0.191 121.027 121.223 -0.009 0.000 2.591 205 L HA 0.155 4.496 4.340 0.001 0.000 0.228 205 L C 0.880 177.760 176.870 0.017 0.000 1.133 205 L CA 0.416 55.258 54.840 0.003 0.000 0.880 205 L CB -0.066 41.988 42.059 -0.008 0.000 1.033 205 L HN 0.344 nan 8.230 nan 0.000 0.450 206 G N 0.862 109.664 108.800 0.002 0.000 2.160 206 G HA2 -0.268 3.693 3.960 0.001 0.000 0.244 206 G HA3 -0.268 3.693 3.960 0.001 0.000 0.244 206 G C -0.047 174.880 174.900 0.045 0.000 1.022 206 G CA -0.127 45.051 45.100 0.131 0.000 0.741 206 G HN 0.245 nan 8.290 nan 0.000 0.508 207 L N 0.367 121.476 121.223 -0.191 0.000 2.309 207 L HA 0.707 5.048 4.340 0.001 0.000 0.282 207 L C 1.239 177.990 176.870 -0.198 0.000 1.036 207 L CA -0.561 54.229 54.840 -0.083 0.000 0.806 207 L CB 1.654 43.688 42.059 -0.041 0.000 1.220 207 L HN 0.199 nan 8.230 nan 0.000 0.429 208 G N 1.784 110.695 108.800 0.184 0.000 2.507 208 G HA2 0.527 4.488 3.960 0.001 0.000 0.271 208 G HA3 0.527 4.488 3.960 0.001 0.000 0.271 208 G C -0.797 174.332 174.900 0.382 0.000 1.189 208 G CA -0.278 45.078 45.100 0.427 0.000 0.859 208 G HN 0.331 nan 8.290 nan 0.000 0.542 209 V N 0.714 120.841 119.914 0.356 0.000 2.623 209 V HA 0.515 4.636 4.120 0.001 0.000 0.304 209 V C -1.014 175.350 176.094 0.450 0.000 1.054 209 V CA -0.585 61.916 62.300 0.335 0.000 0.882 209 V CB 1.316 33.113 31.823 -0.043 0.000 1.002 209 V HN 0.628 nan 8.190 nan 0.000 0.424 210 F N 4.135 124.332 119.950 0.411 0.000 2.546 210 F HA 0.785 5.313 4.527 0.001 0.000 0.320 210 F C -0.384 175.451 175.800 0.058 0.000 1.076 210 F CA -0.938 57.239 58.000 0.295 0.000 0.928 210 F CB 2.197 41.346 39.000 0.249 0.000 1.189 210 F HN 0.364 nan 8.300 nan 0.000 0.465 211 L N 2.447 123.562 121.223 -0.179 0.000 2.362 211 L HA 0.478 4.819 4.340 0.001 0.000 0.275 211 L C -0.882 175.699 176.870 -0.482 0.000 0.998 211 L CA -0.439 54.034 54.840 -0.611 0.000 0.820 211 L CB 1.380 42.504 42.059 -1.558 0.000 1.270 211 L HN 0.434 nan 8.230 nan 0.000 0.415 212 D N 3.422 123.565 120.400 -0.429 0.000 2.343 212 D HA 0.373 5.014 4.640 0.001 0.000 0.255 212 D C -0.739 175.222 176.300 -0.565 0.000 1.187 212 D CA 0.212 53.965 54.000 -0.413 0.000 0.875 212 D CB 1.024 41.638 40.800 -0.311 0.000 1.136 212 D HN 0.426 nan 8.370 nan 0.000 0.469 213 V N 1.280 120.829 119.914 -0.609 0.000 2.823 213 V HA 0.655 4.776 4.120 0.001 0.000 0.312 213 V C -0.339 175.265 176.094 -0.818 0.000 1.072 213 V CA -0.898 60.912 62.300 -0.817 0.000 0.937 213 V CB 2.055 33.242 31.823 -1.060 0.000 1.013 213 V HN 0.186 nan 8.190 nan 0.000 0.430 214 V N 4.879 124.273 119.914 -0.866 0.000 2.276 214 V HA 0.341 4.462 4.120 0.001 0.000 0.268 214 V C -0.576 175.319 176.094 -0.333 0.000 1.032 214 V CA -0.135 61.863 62.300 -0.505 0.000 0.810 214 V CB 0.308 31.886 31.823 -0.409 0.000 1.060 214 V HN 0.927 nan 8.190 nan 0.000 0.446 215 Y N 2.510 122.785 120.300 -0.041 0.000 2.571 215 Y HA 0.135 4.686 4.550 0.001 0.000 0.275 215 Y C 1.638 177.748 175.900 0.350 0.000 1.179 215 Y CA -0.854 57.368 58.100 0.204 0.000 1.242 215 Y CB -0.666 37.914 38.460 0.200 0.000 1.126 215 Y HN 0.807 nan 8.280 nan 0.000 0.524 216 N N -0.677 118.272 118.700 0.415 0.000 2.294 216 N HA -0.004 4.737 4.740 0.001 0.000 0.186 216 N C 0.234 176.060 175.510 0.527 0.000 1.107 216 N CA 0.234 53.571 53.050 0.478 0.000 0.884 216 N CB 0.289 39.040 38.487 0.440 0.000 1.030 216 N HN 0.205 nan 8.380 nan 0.000 0.482 217 H N -2.170 117.107 119.070 0.346 0.000 3.042 217 H HA 0.341 4.898 4.556 0.002 0.000 0.346 217 H C -1.817 173.717 175.328 0.343 0.000 1.294 217 H CA -1.074 55.202 56.048 0.380 0.000 1.141 217 H CB 0.295 30.272 29.762 0.359 0.000 1.872 217 H HN -0.122 nan 8.280 nan 0.000 0.541 218 F N 0.511 120.717 119.950 0.427 0.000 2.432 218 F HA 0.531 5.059 4.527 0.001 0.000 0.329 218 F C 1.457 177.462 175.800 0.342 0.000 1.076 218 F CA 0.112 58.296 58.000 0.306 0.000 1.018 218 F CB 1.743 40.796 39.000 0.087 0.000 1.201 218 F HN 0.779 nan 8.300 nan 0.000 0.489 219 G N 1.458 110.455 108.800 0.328 0.000 2.667 219 G HA2 0.252 4.213 3.960 0.001 0.000 0.250 219 G HA3 0.252 4.213 3.960 0.001 0.000 0.250 219 G C -1.852 172.905 174.900 -0.238 0.000 1.212 219 G CA -0.970 44.080 45.100 -0.085 0.000 0.874 219 G HN 0.469 nan 8.290 nan 0.000 0.561 220 P HA 0.039 nan 4.420 nan 0.000 0.229 220 P C 0.560 177.691 177.300 -0.282 0.000 1.160 220 P CA 0.669 63.478 63.100 -0.485 0.000 0.777 220 P CB 0.645 31.822 31.700 -0.873 0.000 0.814 221 S N -1.020 114.561 115.700 -0.197 0.000 2.561 221 S HA 0.574 5.045 4.470 0.001 0.000 0.303 221 S C 0.695 175.276 174.600 -0.030 0.000 1.110 221 S CA 0.139 58.314 58.200 -0.043 0.000 1.034 221 S CB 0.417 63.673 63.200 0.094 0.000 1.010 221 S HN 0.304 nan 8.310 nan 0.000 0.482 222 G N 3.807 112.543 108.800 -0.106 0.000 2.179 222 G HA2 -0.206 3.755 3.960 0.001 0.000 0.220 222 G HA3 -0.206 3.755 3.960 0.001 0.000 0.220 222 G C -0.161 174.669 174.900 -0.117 0.000 0.990 222 G CA -0.014 45.005 45.100 -0.136 0.000 0.646 222 G HN 0.831 nan 8.290 nan 0.000 0.517 223 N N 0.077 118.625 118.700 -0.254 0.000 2.500 223 N HA 0.512 5.252 4.740 0.001 0.000 0.236 223 N C 0.376 175.658 175.510 -0.380 0.000 1.022 223 N CA -0.734 52.162 53.050 -0.257 0.000 0.935 223 N CB 0.166 38.485 38.487 -0.280 0.000 1.147 223 N HN 0.220 nan 8.380 nan 0.000 0.512 224 Y N 2.622 122.882 120.300 -0.066 0.000 2.468 224 Y HA 0.264 4.815 4.550 0.002 0.000 0.268 224 Y C 1.577 177.544 175.900 0.112 0.000 1.177 224 Y CA -0.154 57.977 58.100 0.053 0.000 1.265 224 Y CB 0.268 38.835 38.460 0.178 0.000 1.103 224 Y HN 0.497 nan 8.280 nan 0.000 0.522 225 L N -1.186 120.026 121.223 -0.018 0.000 2.079 225 L HA -0.262 4.079 4.340 0.001 0.000 0.210 225 L C 2.279 179.291 176.870 0.237 0.000 1.081 225 L CA 1.364 56.131 54.840 -0.121 0.000 0.752 225 L CB -0.428 41.181 42.059 -0.750 0.000 0.896 225 L HN 0.145 nan 8.230 nan 0.000 0.433 226 S N -0.866 114.993 115.700 0.265 0.000 2.419 226 S HA -0.160 4.311 4.470 0.001 0.000 0.233 226 S C 2.136 176.823 174.600 0.145 0.000 1.016 226 S CA 1.337 59.685 58.200 0.247 0.000 0.974 226 S CB -0.106 63.165 63.200 0.118 0.000 0.786 226 S HN 0.383 nan 8.310 nan 0.000 0.492 227 S N 0.174 115.959 115.700 0.143 0.000 2.419 227 S HA -0.037 4.434 4.470 0.001 0.000 0.233 227 S C 1.353 175.860 174.600 -0.154 0.000 1.016 227 S CA 1.005 59.202 58.200 -0.004 0.000 0.974 227 S CB -0.247 62.951 63.200 -0.004 0.000 0.786 227 S HN 0.629 nan 8.310 nan 0.000 0.492 228 Y N 0.859 121.161 120.300 0.002 0.000 2.262 228 Y HA 0.445 4.996 4.550 0.001 0.000 0.295 228 Y C 0.989 176.739 175.900 -0.249 0.000 1.121 228 Y CA 0.439 58.485 58.100 -0.090 0.000 1.144 228 Y CB 0.211 38.681 38.460 0.016 0.000 1.043 228 Y HN 0.202 nan 8.280 nan 0.000 0.528 229 A N -0.651 122.185 122.820 0.026 0.000 2.497 229 A HA 0.431 4.752 4.320 0.001 0.000 0.280 229 A C -2.423 175.175 177.584 0.024 0.000 1.065 229 A CA -1.212 50.671 52.037 -0.257 0.000 0.781 229 A CB 0.784 19.168 19.000 -1.027 0.000 1.289 229 A HN -0.057 nan 8.150 nan 0.000 0.415 230 P HA -0.188 nan 4.420 nan 0.000 0.217 230 P C 1.563 178.950 177.300 0.144 0.000 1.148 230 P CA 2.124 65.298 63.100 0.124 0.000 0.828 230 P CB 0.208 31.942 31.700 0.057 0.000 0.783 231 S N -2.927 112.809 115.700 0.059 0.000 2.595 231 S HA -0.136 4.335 4.470 0.001 0.000 0.235 231 S C 1.540 176.150 174.600 0.017 0.000 0.974 231 S CA 0.371 58.611 58.200 0.067 0.000 0.942 231 S CB -1.543 61.722 63.200 0.108 0.000 0.766 231 S HN 0.116 nan 8.310 nan 0.000 0.536 232 Y N 1.128 121.372 120.300 -0.094 0.000 2.315 232 Y HA 0.150 4.701 4.550 0.001 0.000 0.288 232 Y C 0.590 176.025 175.900 -0.776 0.000 1.154 232 Y CA 0.598 58.412 58.100 -0.476 0.000 1.229 232 Y CB -0.207 37.697 38.460 -0.926 0.000 0.980 232 Y HN 0.297 nan 8.280 nan 0.000 0.540 233 F N -2.136 117.884 119.950 0.116 0.000 2.598 233 F HA 0.539 5.067 4.527 0.001 0.000 0.327 233 F C 0.279 176.035 175.800 -0.073 0.000 1.057 233 F CA -1.388 56.609 58.000 -0.005 0.000 0.957 233 F CB 1.543 40.531 39.000 -0.020 0.000 1.278 233 F HN -0.532 nan 8.300 nan 0.000 0.484 234 T N -0.569 113.991 114.554 0.009 0.000 2.900 234 T HA 0.313 4.664 4.350 0.001 0.000 0.295 234 T C -0.148 174.425 174.700 -0.211 0.000 1.044 234 T CA -0.637 61.374 62.100 -0.148 0.000 0.995 234 T CB 1.072 69.772 68.868 -0.281 0.000 1.072 234 T HN 0.674 nan 8.240 nan 0.000 0.473 235 D N 2.281 122.604 120.400 -0.129 0.000 2.340 235 D HA 0.029 4.670 4.640 0.001 0.000 0.220 235 D C 1.620 177.859 176.300 -0.101 0.000 1.039 235 D CA 0.021 53.962 54.000 -0.099 0.000 0.866 235 D CB -0.090 40.687 40.800 -0.040 0.000 0.913 235 D HN 0.513 nan 8.370 nan 0.000 0.523 236 R N -0.119 120.285 120.500 -0.160 0.000 2.152 236 R HA -0.008 4.333 4.340 0.001 0.000 0.232 236 R C -0.368 175.995 176.300 0.105 0.000 1.117 236 R CA 0.810 56.895 56.100 -0.026 0.000 0.981 236 R CB -0.074 30.244 30.300 0.031 0.000 0.870 236 R HN 0.327 nan 8.270 nan 0.000 0.451 237 F N -3.699 116.295 119.950 0.073 0.000 2.693 237 F HA 0.576 5.104 4.527 0.001 0.000 0.309 237 F C -1.152 174.694 175.800 0.076 0.000 1.129 237 F CA -1.282 56.762 58.000 0.073 0.000 0.948 237 F CB 1.145 40.201 39.000 0.093 0.000 1.315 237 F HN -0.374 nan 8.300 nan 0.000 0.447 238 S N 0.362 116.224 115.700 0.269 0.000 2.648 238 S HA 0.806 5.277 4.470 0.001 0.000 0.305 238 S C -0.695 174.035 174.600 0.216 0.000 1.094 238 S CA -0.683 57.610 58.200 0.155 0.000 0.983 238 S CB 1.896 65.128 63.200 0.054 0.000 1.101 238 S HN 0.736 nan 8.310 nan 0.000 0.514 239 S N 0.500 116.287 115.700 0.146 0.000 2.748 239 S HA 0.606 5.077 4.470 0.001 0.000 0.299 239 S C 1.469 176.002 174.600 -0.112 0.000 1.119 239 S CA -0.197 58.053 58.200 0.083 0.000 0.997 239 S CB 0.798 64.136 63.200 0.231 0.000 1.223 239 S HN 0.806 nan 8.310 nan 0.000 0.541 240 A N -0.520 122.103 122.820 -0.329 0.000 1.969 240 A HA -0.030 4.291 4.320 0.001 0.000 0.218 240 A C 1.363 178.559 177.584 -0.647 0.000 1.169 240 A CA 1.198 52.841 52.037 -0.657 0.000 0.635 240 A CB -0.561 17.799 19.000 -1.066 0.000 0.810 240 A HN 0.863 nan 8.150 nan 0.000 0.445 241 W N -1.916 119.340 121.300 -0.074 0.000 2.915 241 W HA 0.433 5.094 4.660 0.001 0.000 0.276 241 W C 0.996 177.485 176.519 -0.050 0.000 1.215 241 W CA 0.342 57.667 57.345 -0.035 0.000 1.514 241 W CB 0.604 30.100 29.460 0.061 0.000 1.017 241 W HN 0.511 nan 8.180 nan 0.000 0.598 245 L N 1.675 123.149 121.223 0.418 0.000 2.313 245 L HA 0.349 4.690 4.340 0.001 0.000 0.282 245 L C 0.104 176.925 176.870 -0.080 0.000 1.092 245 L CA -0.408 54.537 54.840 0.175 0.000 0.831 245 L CB 1.273 43.350 42.059 0.030 0.000 1.159 245 L HN 0.508 nan 8.230 nan 0.000 0.442 246 D N 2.367 122.673 120.400 -0.158 0.000 2.441 246 D HA 0.041 4.682 4.640 0.001 0.000 0.221 246 D C 0.389 176.651 176.300 -0.064 0.000 1.156 246 D CA -0.173 53.793 54.000 -0.057 0.000 0.896 246 D CB 0.362 41.139 40.800 -0.038 0.000 1.028 246 D HN 0.325 nan 8.370 nan 0.000 0.509 247 Y N 1.735 122.153 120.300 0.196 0.000 2.578 247 Y HA 0.094 4.645 4.550 0.002 0.000 0.297 247 Y C 2.175 178.109 175.900 0.057 0.000 1.176 247 Y CA 0.321 58.486 58.100 0.108 0.000 1.315 247 Y CB -0.237 38.260 38.460 0.062 0.000 1.031 247 Y HN 0.532 nan 8.280 nan 0.000 0.524 248 A N -0.390 122.534 122.820 0.174 0.000 2.119 248 A HA -0.059 4.262 4.320 0.001 0.000 0.216 248 A C 0.899 178.516 177.584 0.056 0.000 1.152 248 A CA 0.471 52.570 52.037 0.103 0.000 0.708 248 A CB -0.272 18.783 19.000 0.092 0.000 0.805 248 A HN 0.190 nan 8.150 nan 0.000 0.460 249 E N 0.390 120.620 120.200 0.049 0.000 2.089 249 E HA 0.350 4.701 4.350 0.001 0.000 0.284 249 E C -2.042 174.538 176.600 -0.033 0.000 1.023 249 E CA -2.774 53.619 56.400 -0.012 0.000 0.819 249 E CB 0.964 30.654 29.700 -0.017 0.000 1.076 249 E HN 0.051 nan 8.360 nan 0.000 0.396 250 P HA -0.163 nan 4.420 nan 0.000 0.217 250 P C 0.008 177.199 177.300 -0.182 0.000 1.148 250 P CA 1.203 64.197 63.100 -0.175 0.000 0.828 250 P CB 0.033 31.548 31.700 -0.309 0.000 0.783 254 R N 0.469 121.143 120.500 0.290 0.000 2.189 254 R HA -0.034 4.307 4.340 0.001 0.000 0.223 254 R C 1.742 178.360 176.300 0.530 0.000 1.092 254 R CA 1.419 57.731 56.100 0.353 0.000 0.989 254 R CB -0.129 30.285 30.300 0.191 0.000 0.876 254 R HN 0.185 nan 8.270 nan 0.000 0.457 255 Y N 1.183 121.761 120.300 0.463 0.000 2.145 255 Y HA -0.267 4.284 4.550 0.002 0.000 0.286 255 Y C 2.152 178.254 175.900 0.337 0.000 1.145 255 Y CA 1.817 60.218 58.100 0.502 0.000 1.148 255 Y CB -0.037 38.641 38.460 0.364 0.000 0.981 255 Y HN -0.082 nan 8.280 nan 0.000 0.507 256 V N -2.513 117.592 119.914 0.318 0.000 2.649 256 V HA -0.094 4.027 4.120 0.001 0.000 0.248 256 V C 2.120 178.065 176.094 -0.249 0.000 1.054 256 V CA 1.841 64.031 62.300 -0.184 0.000 1.073 256 V CB -1.376 30.157 31.823 -0.483 0.000 0.699 256 V HN 0.545 nan 8.190 nan 0.000 0.463 257 T N -1.333 113.233 114.554 0.019 0.000 2.904 257 T HA 0.041 4.392 4.350 0.001 0.000 0.267 257 T C 2.054 176.757 174.700 0.004 0.000 1.059 257 T CA 1.471 63.612 62.100 0.068 0.000 1.137 257 T CB -0.967 68.032 68.868 0.218 0.000 0.879 257 T HN 0.642 nan 8.240 nan 0.000 0.467 258 G N 1.414 110.222 108.800 0.014 0.000 2.422 258 G HA2 -0.240 3.720 3.960 0.001 0.000 0.218 258 G HA3 -0.240 3.720 3.960 0.001 0.000 0.218 258 G C 1.643 176.467 174.900 -0.127 0.000 1.146 258 G CA 0.739 45.665 45.100 -0.288 0.000 0.769 258 G HN 0.620 nan 8.290 nan 0.000 0.547 259 N N 1.023 119.547 118.700 -0.294 0.000 2.106 259 N HA -0.084 4.656 4.740 0.001 0.000 0.188 259 N C 2.588 177.967 175.510 -0.219 0.000 1.029 259 N CA 1.208 53.837 53.050 -0.702 0.000 0.848 259 N CB -0.162 37.911 38.487 -0.691 0.000 1.007 259 N HN 0.222 nan 8.380 nan 0.000 0.423 260 A N 1.933 124.766 122.820 0.021 0.000 1.883 260 A HA -0.125 4.195 4.320 0.001 0.000 0.217 260 A C 1.495 179.099 177.584 0.034 0.000 1.186 260 A CA 0.798 52.933 52.037 0.162 0.000 0.624 260 A CB -0.513 18.574 19.000 0.144 0.000 0.822 260 A HN 0.367 nan 8.150 nan 0.000 0.444 264 L N 0.902 122.271 121.223 0.243 0.000 2.023 264 L HA -0.016 4.325 4.340 0.001 0.000 0.205 264 L C 2.557 179.437 176.870 0.016 0.000 1.073 264 L CA 1.741 56.591 54.840 0.016 0.000 0.745 264 L CB -0.739 41.044 42.059 -0.458 0.000 0.900 264 L HN -0.002 nan 8.230 nan 0.000 0.435 265 R N 0.069 120.544 120.500 -0.043 0.000 2.062 265 R HA -0.125 4.215 4.340 0.001 0.000 0.226 265 R C 1.728 178.036 176.300 0.013 0.000 1.125 265 R CA 1.704 57.783 56.100 -0.034 0.000 0.966 265 R CB -0.009 30.257 30.300 -0.055 0.000 0.861 265 R HN 0.311 nan 8.270 nan 0.000 0.433 266 D N -0.847 119.500 120.400 -0.088 0.000 2.240 266 D HA -0.077 4.563 4.640 0.001 0.000 0.206 266 D C 0.977 177.127 176.300 -0.250 0.000 0.963 266 D CA 1.032 54.838 54.000 -0.324 0.000 0.863 266 D CB 0.131 40.286 40.800 -1.075 0.000 0.973 266 D HN 0.324 nan 8.370 nan 0.000 0.501 267 Y N -0.433 119.942 120.300 0.125 0.000 2.458 267 Y HA 0.168 4.719 4.550 0.002 0.000 0.256 267 Y C 0.295 176.279 175.900 0.140 0.000 1.159 267 Y CA 0.003 58.258 58.100 0.258 0.000 1.261 267 Y CB -0.069 38.672 38.460 0.468 0.000 1.119 267 Y HN 0.093 nan 8.280 nan 0.000 0.524 268 H N -2.442 116.616 119.070 -0.020 0.000 2.958 268 H HA -0.204 4.353 4.556 0.001 0.000 0.274 268 H C -0.224 175.138 175.328 0.057 0.000 1.184 268 H CA -0.062 55.904 56.048 -0.137 0.000 1.143 268 H CB -1.865 27.526 29.762 -0.618 0.000 1.297 268 H HN 0.190 nan 8.280 nan 0.000 0.356 269 F N 1.278 121.362 119.950 0.223 0.000 2.553 269 F HA -0.067 4.461 4.527 0.002 0.000 0.356 269 F C 1.886 177.758 175.800 0.121 0.000 1.142 269 F CA 0.674 58.742 58.000 0.114 0.000 1.322 269 F CB 0.447 39.467 39.000 0.033 0.000 1.126 269 F HN 0.105 nan 8.300 nan 0.000 0.599 270 D N 1.012 121.498 120.400 0.143 0.000 2.348 270 D HA 0.192 4.833 4.640 0.001 0.000 0.211 270 D C 0.840 176.928 176.300 -0.353 0.000 0.998 270 D CA 0.685 54.661 54.000 -0.041 0.000 0.873 270 D CB 0.493 41.262 40.800 -0.050 0.000 0.925 270 D HN 0.624 nan 8.370 nan 0.000 0.524 271 G N -0.053 108.437 108.800 -0.516 0.000 2.451 271 G HA2 0.487 4.447 3.960 0.001 0.000 0.292 271 G HA3 0.487 4.447 3.960 0.001 0.000 0.292 271 G C -1.965 172.894 174.900 -0.068 0.000 1.427 271 G CA -0.807 44.132 45.100 -0.269 0.000 0.792 271 G HN 0.014 nan 8.290 nan 0.000 0.498 272 L N 0.275 121.541 121.223 0.072 0.000 2.381 272 L HA 0.684 5.025 4.340 0.001 0.000 0.268 272 L C 0.052 176.917 176.870 -0.009 0.000 0.997 272 L CA -1.060 53.750 54.840 -0.051 0.000 0.818 272 L CB 2.447 44.435 42.059 -0.118 0.000 1.310 272 L HN 0.519 nan 8.230 nan 0.000 0.416 273 R N 3.540 123.952 120.500 -0.147 0.000 2.246 273 R HA 0.476 4.817 4.340 0.001 0.000 0.332 273 R C -1.355 174.736 176.300 -0.348 0.000 0.974 273 R CA -0.601 55.344 56.100 -0.257 0.000 0.837 273 R CB 0.762 30.845 30.300 -0.362 0.000 1.145 273 R HN 0.646 nan 8.270 nan 0.000 0.467 274 L N 4.256 125.302 121.223 -0.296 0.000 2.325 274 L HA 0.155 4.496 4.340 0.001 0.000 0.284 274 L C 0.418 177.122 176.870 -0.276 0.000 1.089 274 L CA -0.465 54.205 54.840 -0.284 0.000 0.836 274 L CB 0.549 42.519 42.059 -0.149 0.000 1.184 274 L HN 0.541 nan 8.230 nan 0.000 0.444 275 D N 3.782 124.031 120.400 -0.252 0.000 2.455 275 D HA 0.269 4.910 4.640 0.001 0.000 0.241 275 D C 0.789 177.070 176.300 -0.033 0.000 1.138 275 D CA 0.639 54.558 54.000 -0.135 0.000 0.877 275 D CB 0.885 41.684 40.800 -0.001 0.000 1.187 275 D HN 0.763 nan 8.370 nan 0.000 0.451 276 A N 2.878 125.695 122.820 -0.006 0.000 2.560 276 A HA -0.222 4.099 4.320 0.001 0.000 0.299 276 A C 1.571 179.200 177.584 0.075 0.000 1.484 276 A CA 1.453 53.567 52.037 0.128 0.000 0.749 276 A CB -2.486 16.695 19.000 0.302 0.000 1.072 276 A HN 0.838 nan 8.150 nan 0.000 0.426 277 T N -2.738 111.778 114.554 -0.064 0.000 2.849 277 T HA -0.053 4.297 4.350 0.001 0.000 0.270 277 T C -0.258 174.314 174.700 -0.214 0.000 1.066 277 T CA 1.374 63.418 62.100 -0.093 0.000 1.130 277 T CB -1.087 67.710 68.868 -0.119 0.000 0.864 277 T HN 0.507 nan 8.240 nan 0.000 0.481 278 P HA 0.031 nan 4.420 nan 0.000 0.225 278 P C -0.155 176.677 177.300 -0.781 0.000 1.148 278 P CA 0.796 63.446 63.100 -0.751 0.000 0.779 278 P CB -0.150 30.826 31.700 -1.206 0.000 0.780 282 D N 1.131 121.524 120.400 -0.011 0.000 2.804 282 D HA 0.309 4.949 4.640 0.001 0.000 0.209 282 D C -0.580 175.714 176.300 -0.010 0.000 1.314 282 D CA -0.460 53.507 54.000 -0.055 0.000 0.894 282 D CB 1.386 41.933 40.800 -0.422 0.000 1.615 282 D HN 0.355 nan 8.370 nan 0.000 0.571 283 D N 1.450 121.883 120.400 0.055 0.000 2.340 283 D HA 0.082 4.723 4.640 0.001 0.000 0.217 283 D C 0.097 176.430 176.300 0.056 0.000 1.081 283 D CA 0.017 54.058 54.000 0.068 0.000 0.842 283 D CB 0.492 41.339 40.800 0.079 0.000 0.934 283 D HN 0.206 nan 8.370 nan 0.000 0.511 284 S N 0.910 116.630 115.700 0.034 0.000 2.566 284 S HA -0.063 4.408 4.470 0.001 0.000 0.280 284 S C 1.549 176.174 174.600 0.042 0.000 1.343 284 S CA -0.215 58.004 58.200 0.033 0.000 1.036 284 S CB 1.939 65.150 63.200 0.017 0.000 0.866 284 S HN 0.258 nan 8.310 nan 0.000 0.526 285 E N 1.493 121.718 120.200 0.042 0.000 2.058 285 E HA -0.155 4.196 4.350 0.001 0.000 0.194 285 E C -0.030 176.603 176.600 0.055 0.000 0.997 285 E CA 1.067 57.494 56.400 0.046 0.000 0.801 285 E CB 0.075 29.799 29.700 0.039 0.000 0.746 285 E HN 0.584 nan 8.360 nan 0.000 0.450 286 T N 1.379 115.965 114.554 0.053 0.000 2.733 286 T HA 0.076 4.427 4.350 0.001 0.000 0.294 286 T C -0.451 174.285 174.700 0.059 0.000 0.956 286 T CA -0.419 61.719 62.100 0.063 0.000 0.987 286 T CB 0.895 69.803 68.868 0.065 0.000 0.920 286 T HN 0.198 nan 8.240 nan 0.000 0.470 287 H N 3.004 122.064 119.070 -0.017 0.000 2.771 287 H HA 0.082 4.638 4.556 0.001 0.000 0.364 287 H C 1.197 176.483 175.328 -0.069 0.000 1.133 287 H CA -0.382 55.643 56.048 -0.039 0.000 1.423 287 H CB 0.734 30.459 29.762 -0.061 0.000 1.425 287 H HN 0.526 nan 8.280 nan 0.000 0.606 288 I N 4.216 124.562 120.570 -0.373 0.000 2.335 288 I HA -0.264 3.907 4.170 0.001 0.000 0.251 288 I C 2.108 178.184 176.117 -0.069 0.000 1.129 288 I CA 1.195 62.328 61.300 -0.278 0.000 1.402 288 I CB -0.363 37.221 38.000 -0.693 0.000 1.069 288 I HN 0.652 nan 8.210 nan 0.000 0.424 289 L N -0.586 120.759 121.223 0.203 0.000 2.046 289 L HA -0.211 4.130 4.340 0.001 0.000 0.208 289 L C 2.370 179.247 176.870 0.012 0.000 1.077 289 L CA 1.823 56.713 54.840 0.083 0.000 0.747 289 L CB -1.122 40.961 42.059 0.039 0.000 0.896 289 L HN 0.206 nan 8.230 nan 0.000 0.432 290 T N -1.095 113.480 114.554 0.035 0.000 2.746 290 T HA -0.245 4.106 4.350 0.001 0.000 0.267 290 T C 1.767 176.436 174.700 -0.052 0.000 1.039 290 T CA 1.538 63.637 62.100 -0.001 0.000 1.142 290 T CB -0.128 68.757 68.868 0.028 0.000 0.866 290 T HN 0.378 nan 8.240 nan 0.000 0.444 291 E N 0.615 120.790 120.200 -0.042 0.000 2.106 291 E HA -0.084 4.267 4.350 0.001 0.000 0.192 291 E C 2.142 178.677 176.600 -0.108 0.000 0.984 291 E CA 0.694 57.052 56.400 -0.071 0.000 0.806 291 E CB -0.217 29.487 29.700 0.008 0.000 0.750 291 E HN 0.417 nan 8.360 nan 0.000 0.458 292 L N 0.499 121.676 121.223 -0.078 0.000 2.012 292 L HA -0.223 4.117 4.340 0.001 0.000 0.210 292 L C 2.673 179.452 176.870 -0.151 0.000 1.073 292 L CA 1.387 56.184 54.840 -0.072 0.000 0.748 292 L CB -0.487 41.557 42.059 -0.025 0.000 0.891 292 L HN 0.236 nan 8.230 nan 0.000 0.431 293 A N -0.690 122.017 122.820 -0.190 0.000 1.883 293 A HA -0.285 4.036 4.320 0.001 0.000 0.217 293 A C 2.191 179.448 177.584 -0.545 0.000 1.186 293 A CA 1.815 53.629 52.037 -0.371 0.000 0.624 293 A CB -0.564 18.306 19.000 -0.216 0.000 0.822 293 A HN 0.505 nan 8.150 nan 0.000 0.444 294 Q N -0.761 118.788 119.800 -0.418 0.000 2.061 294 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 294 Q C 2.038 177.691 176.000 -0.578 0.000 0.984 294 Q CA 1.575 56.975 55.803 -0.671 0.000 0.846 294 Q CB -0.201 27.772 28.738 -1.275 0.000 0.902 294 Q HN 0.619 nan 8.270 nan 0.000 0.421 295 E N 0.314 120.310 120.200 -0.340 0.000 2.150 295 E HA -0.128 4.223 4.350 0.001 0.000 0.193 295 E C 1.970 178.576 176.600 0.010 0.000 0.985 295 E CA 0.814 57.226 56.400 0.020 0.000 0.814 295 E CB 0.005 29.785 29.700 0.133 0.000 0.752 295 E HN 0.433 nan 8.360 nan 0.000 0.466 296 I N 0.024 120.533 120.570 -0.102 0.000 2.333 296 I HA -0.215 3.956 4.170 0.001 0.000 0.246 296 I C 2.120 178.251 176.117 0.024 0.000 1.106 296 I CA 0.886 62.138 61.300 -0.081 0.000 1.411 296 I CB -0.333 37.589 38.000 -0.130 0.000 1.082 296 I HN 0.132 nan 8.210 nan 0.000 0.420 297 H N 0.006 119.081 119.070 0.008 0.000 2.426 297 H HA -0.207 4.350 4.556 0.002 0.000 0.298 297 H C 2.100 177.463 175.328 0.057 0.000 1.107 297 H CA 1.097 57.157 56.048 0.020 0.000 1.298 297 H CB 0.073 29.810 29.762 -0.042 0.000 1.377 297 H HN 0.254 nan 8.280 nan 0.000 0.519 298 E N 1.510 121.826 120.200 0.194 0.000 2.268 298 E HA -0.131 4.219 4.350 0.001 0.000 0.195 298 E C 1.923 178.620 176.600 0.162 0.000 0.995 298 E CA 0.448 56.980 56.400 0.219 0.000 0.836 298 E CB -0.035 29.872 29.700 0.345 0.000 0.763 298 E HN 0.550 nan 8.360 nan 0.000 0.491 299 L N -0.255 121.055 121.223 0.145 0.000 2.450 299 L HA -0.063 4.278 4.340 0.001 0.000 0.224 299 L C 1.520 178.468 176.870 0.130 0.000 1.149 299 L CA 0.725 55.641 54.840 0.127 0.000 0.816 299 L CB -0.559 41.567 42.059 0.111 0.000 0.932 299 L HN 0.269 nan 8.230 nan 0.000 0.449 300 G N -0.016 108.859 108.800 0.126 0.000 2.221 300 G HA2 -0.199 3.762 3.960 0.001 0.000 0.265 300 G HA3 -0.199 3.762 3.960 0.001 0.000 0.265 300 G C 0.382 175.300 174.900 0.029 0.000 1.041 300 G CA 0.112 45.252 45.100 0.068 0.000 0.807 300 G HN 0.555 nan 8.290 nan 0.000 0.502 301 G N -1.551 107.275 108.800 0.044 0.000 3.122 301 G HA2 0.775 4.736 3.960 0.001 0.000 0.180 301 G HA3 0.775 4.736 3.960 0.001 0.000 0.180 301 G C 0.760 175.532 174.900 -0.214 0.000 1.279 301 G CA 0.810 45.802 45.100 -0.180 0.000 0.987 301 G HN 1.240 nan 8.290 nan 0.000 0.589 302 T N -2.207 112.093 114.554 -0.422 0.000 3.296 302 T HA 0.324 4.675 4.350 0.001 0.000 0.285 302 T C -0.079 174.518 174.700 -0.171 0.000 1.014 302 T CA -0.324 61.637 62.100 -0.231 0.000 0.920 302 T CB -0.696 68.040 68.868 -0.221 0.000 1.143 302 T HN 0.429 nan 8.240 nan 0.000 0.522 303 H N 1.130 120.222 119.070 0.036 0.000 2.790 303 H HA 0.523 5.080 4.556 0.002 0.000 0.358 303 H C 0.205 175.588 175.328 0.092 0.000 1.103 303 H CA -0.239 55.832 56.048 0.038 0.000 1.426 303 H CB 0.531 30.311 29.762 0.030 0.000 1.424 303 H HN 0.259 nan 8.280 nan 0.000 0.599 304 L N 2.664 124.034 121.223 0.243 0.000 2.334 304 L HA 0.471 4.812 4.340 0.001 0.000 0.270 304 L C -0.560 176.453 176.870 0.239 0.000 1.018 304 L CA -0.748 54.262 54.840 0.283 0.000 0.811 304 L CB 1.273 43.607 42.059 0.459 0.000 1.271 304 L HN 0.347 nan 8.230 nan 0.000 0.443 305 L N 3.286 124.623 121.223 0.190 0.000 2.381 305 L HA 0.528 4.869 4.340 0.001 0.000 0.274 305 L C -1.109 175.833 176.870 0.121 0.000 0.988 305 L CA -0.552 54.361 54.840 0.122 0.000 0.824 305 L CB 2.068 44.153 42.059 0.043 0.000 1.263 305 L HN 0.310 nan 8.230 nan 0.000 0.410 306 L N 2.749 124.028 121.223 0.092 0.000 2.362 306 L HA 0.667 5.008 4.340 0.001 0.000 0.275 306 L C 0.087 176.919 176.870 -0.062 0.000 0.998 306 L CA -0.388 54.489 54.840 0.063 0.000 0.820 306 L CB 1.877 44.006 42.059 0.115 0.000 1.270 306 L HN 0.657 nan 8.230 nan 0.000 0.415 307 A N 2.622 125.412 122.820 -0.050 0.000 2.290 307 A HA 0.380 4.701 4.320 0.001 0.000 0.310 307 A C 0.136 177.625 177.584 -0.159 0.000 1.202 307 A CA -0.484 51.483 52.037 -0.117 0.000 0.837 307 A CB 0.663 19.614 19.000 -0.081 0.000 1.139 307 A HN 0.734 nan 8.150 nan 0.000 0.509 308 E N 2.505 122.537 120.200 -0.280 0.000 1.941 308 E HA 0.125 4.476 4.350 0.001 0.000 0.275 308 E C -1.317 175.213 176.600 -0.117 0.000 1.113 308 E CA 0.025 56.286 56.400 -0.232 0.000 0.878 308 E CB 0.279 29.758 29.700 -0.369 0.000 1.070 308 E HN 0.658 nan 8.360 nan 0.000 0.399 309 D N 2.780 123.140 120.400 -0.066 0.000 2.936 309 D HA 0.041 4.682 4.640 0.001 0.000 0.238 309 D C 0.121 176.323 176.300 -0.163 0.000 1.248 309 D CA -0.444 53.445 54.000 -0.184 0.000 0.903 309 D CB 0.872 41.552 40.800 -0.200 0.000 1.544 309 D HN 0.665 nan 8.370 nan 0.000 0.543 310 H N 1.642 120.613 119.070 -0.166 0.000 2.551 310 H HA 0.307 4.863 4.556 0.001 0.000 0.271 310 H C 1.050 176.194 175.328 -0.306 0.000 0.984 310 H CA 0.158 56.077 56.048 -0.214 0.000 1.164 310 H CB 0.140 29.776 29.762 -0.210 0.000 1.437 310 H HN 0.142 nan 8.280 nan 0.000 0.550 311 R N 0.489 120.747 120.500 -0.402 0.000 2.307 311 R HA 0.022 4.362 4.340 0.001 0.000 0.199 311 R C -0.191 175.886 176.300 -0.371 0.000 1.000 311 R CA 0.348 56.264 56.100 -0.307 0.000 1.023 311 R CB -0.083 30.033 30.300 -0.307 0.000 0.908 311 R HN 0.240 nan 8.270 nan 0.000 0.473 312 N N 0.732 119.053 118.700 -0.632 0.000 2.696 312 N HA -0.184 4.557 4.740 0.001 0.000 0.256 312 N C -1.460 173.592 175.510 -0.763 0.000 1.031 312 N CA 0.708 52.888 53.050 -1.450 0.000 0.730 312 N CB -0.860 36.639 38.487 -1.647 0.000 0.894 312 N HN 0.098 nan 8.380 nan 0.000 0.544 313 L N 0.718 121.721 121.223 -0.366 0.000 2.353 313 L HA 0.521 4.861 4.340 0.001 0.000 0.270 313 L C -1.647 175.250 176.870 0.044 0.000 1.003 313 L CA -1.731 53.035 54.840 -0.123 0.000 0.862 313 L CB 1.589 43.509 42.059 -0.232 0.000 1.221 313 L HN -0.144 nan 8.230 nan 0.000 0.430 314 P HA -0.079 nan 4.420 nan 0.000 0.222 314 P C 0.514 177.797 177.300 -0.028 0.000 1.147 314 P CA 0.925 64.107 63.100 0.137 0.000 0.790 314 P CB 0.326 32.102 31.700 0.127 0.000 0.780 315 D N -0.460 119.876 120.400 -0.106 0.000 2.265 315 D HA -0.113 4.528 4.640 0.001 0.000 0.208 315 D C 1.951 178.147 176.300 -0.174 0.000 0.977 315 D CA 0.706 54.612 54.000 -0.157 0.000 0.871 315 D CB -0.735 39.944 40.800 -0.202 0.000 0.925 315 D HN 0.209 nan 8.370 nan 0.000 0.485 316 L N -0.226 120.908 121.223 -0.149 0.000 2.079 316 L HA -0.170 4.171 4.340 0.001 0.000 0.210 316 L C 2.286 179.086 176.870 -0.117 0.000 1.081 316 L CA 0.729 55.482 54.840 -0.144 0.000 0.752 316 L CB -0.205 41.788 42.059 -0.110 0.000 0.896 316 L HN 0.005 nan 8.230 nan 0.000 0.433 317 V N -1.113 118.745 119.914 -0.093 0.000 2.426 317 V HA -0.143 3.978 4.120 0.001 0.000 0.242 317 V C 2.506 178.546 176.094 -0.091 0.000 1.036 317 V CA 1.931 64.190 62.300 -0.068 0.000 1.044 317 V CB -0.267 31.515 31.823 -0.068 0.000 0.688 317 V HN 0.610 nan 8.190 nan 0.000 0.462 318 T N -2.925 111.559 114.554 -0.116 0.000 3.067 318 T HA 0.052 4.403 4.350 0.001 0.000 0.257 318 T C 1.480 176.035 174.700 -0.241 0.000 1.105 318 T CA 1.111 63.150 62.100 -0.102 0.000 1.104 318 T CB 0.512 69.343 68.868 -0.063 0.000 0.925 318 T HN 0.205 nan 8.240 nan 0.000 0.498 319 V N 1.478 121.186 119.914 -0.344 0.000 2.911 319 V HA 0.196 4.317 4.120 0.001 0.000 0.237 319 V C 1.930 177.649 176.094 -0.624 0.000 1.156 319 V CA 0.734 62.773 62.300 -0.434 0.000 1.180 319 V CB -0.418 31.263 31.823 -0.237 0.000 0.932 319 V HN 0.369 nan 8.190 nan 0.000 0.483 320 N N -0.787 117.666 118.700 -0.412 0.000 2.463 320 N HA -0.026 4.715 4.740 0.001 0.000 0.181 320 N C 0.114 175.518 175.510 -0.177 0.000 1.078 320 N CA 0.418 53.307 53.050 -0.268 0.000 0.902 320 N CB 0.024 38.401 38.487 -0.184 0.000 0.970 320 N HN 0.440 nan 8.380 nan 0.000 0.451 321 H N -1.236 117.827 119.070 -0.013 0.000 2.936 321 H HA -0.132 4.424 4.556 0.002 0.000 0.276 321 H C -0.271 175.083 175.328 0.042 0.000 1.216 321 H CA 0.436 56.505 56.048 0.035 0.000 1.132 321 H CB -2.144 27.672 29.762 0.090 0.000 1.303 321 H HN 0.265 nan 8.280 nan 0.000 0.370 322 L N 0.406 121.660 121.223 0.052 0.000 2.472 322 L HA 0.057 4.398 4.340 0.001 0.000 0.260 322 L C 1.715 178.628 176.870 0.072 0.000 1.209 322 L CA 0.169 55.038 54.840 0.048 0.000 0.817 322 L CB 0.418 42.478 42.059 0.001 0.000 1.106 322 L HN 0.043 nan 8.230 nan 0.000 0.479 323 D N 0.043 120.498 120.400 0.091 0.000 2.301 323 D HA 0.164 4.805 4.640 0.001 0.000 0.206 323 D C 0.644 176.980 176.300 0.060 0.000 0.979 323 D CA 0.678 54.736 54.000 0.096 0.000 0.874 323 D CB 1.088 41.979 40.800 0.150 0.000 0.968 323 D HN 0.709 nan 8.370 nan 0.000 0.510 324 G N 0.003 108.841 108.800 0.062 0.000 2.495 324 G HA2 0.532 4.492 3.960 0.001 0.000 0.294 324 G HA3 0.532 4.492 3.960 0.001 0.000 0.294 324 G C -1.863 173.084 174.900 0.078 0.000 1.397 324 G CA -0.739 44.384 45.100 0.039 0.000 0.790 324 G HN -0.002 nan 8.290 nan 0.000 0.486 325 I N -0.439 120.193 120.570 0.103 0.000 2.569 325 I HA 0.332 4.503 4.170 0.001 0.000 0.290 325 I C -1.061 175.262 176.117 0.343 0.000 1.088 325 I CA -0.620 60.788 61.300 0.181 0.000 1.047 325 I CB 2.357 40.455 38.000 0.163 0.000 1.237 325 I HN 0.410 nan 8.210 nan 0.000 0.421 326 W N 4.772 126.099 121.300 0.046 0.000 2.446 326 W HA 0.290 4.951 4.660 0.002 0.000 0.316 326 W C 0.828 177.421 176.519 0.124 0.000 1.376 326 W CA -0.284 57.104 57.345 0.071 0.000 1.300 326 W CB 0.566 30.025 29.460 -0.000 0.000 1.351 326 W HN 0.295 nan 8.180 nan 0.000 0.530 327 T N 2.660 117.450 114.554 0.393 0.000 2.792 327 T HA 0.230 4.581 4.350 0.001 0.000 0.280 327 T C 0.443 175.290 174.700 0.245 0.000 0.990 327 T CA -0.685 61.649 62.100 0.389 0.000 0.960 327 T CB 0.999 70.282 68.868 0.692 0.000 0.939 327 T HN 0.288 nan 8.240 nan 0.000 0.439 328 D N 2.925 123.362 120.400 0.061 0.000 2.354 328 D HA 0.059 4.700 4.640 0.001 0.000 0.209 328 D C 1.183 177.256 176.300 -0.378 0.000 1.015 328 D CA 0.206 54.048 54.000 -0.264 0.000 0.867 328 D CB 0.341 40.778 40.800 -0.604 0.000 0.933 328 D HN 0.619 nan 8.370 nan 0.000 0.520 329 D N 0.344 120.741 120.400 -0.004 0.000 2.133 329 D HA -0.180 4.461 4.640 0.001 0.000 0.195 329 D C 1.715 178.011 176.300 -0.006 0.000 0.997 329 D CA 0.565 54.650 54.000 0.142 0.000 0.840 329 D CB -0.343 40.742 40.800 0.474 0.000 0.947 329 D HN 0.228 nan 8.370 nan 0.000 0.452 330 F N 1.189 121.015 119.950 -0.207 0.000 2.102 330 F HA -0.246 4.282 4.527 0.001 0.000 0.298 330 F C 2.450 178.085 175.800 -0.274 0.000 1.105 330 F CA 1.740 59.493 58.000 -0.411 0.000 1.239 330 F CB -0.369 37.922 39.000 -1.182 0.000 0.991 330 F HN 0.089 nan 8.300 nan 0.000 0.474 331 H N -0.595 118.343 119.070 -0.220 0.000 2.319 331 H HA -0.208 4.348 4.556 0.001 0.000 0.297 331 H C 2.180 177.446 175.328 -0.104 0.000 1.097 331 H CA 2.454 58.395 56.048 -0.179 0.000 1.285 331 H CB -0.602 29.114 29.762 -0.077 0.000 1.368 331 H HN 0.345 nan 8.280 nan 0.000 0.495 332 H N 0.306 119.279 119.070 -0.161 0.000 2.357 332 H HA -0.062 4.494 4.556 0.001 0.000 0.301 332 H C 2.373 177.454 175.328 -0.411 0.000 1.082 332 H CA 1.383 57.281 56.048 -0.250 0.000 1.342 332 H CB -0.393 28.949 29.762 -0.700 0.000 1.389 332 H HN 0.461 nan 8.280 nan 0.000 0.511 333 E N 0.214 120.208 120.200 -0.344 0.000 2.110 333 E HA -0.114 4.237 4.350 0.001 0.000 0.193 333 E C 2.031 178.501 176.600 -0.216 0.000 0.988 333 E CA 1.651 57.951 56.400 -0.168 0.000 0.804 333 E CB 0.017 29.674 29.700 -0.072 0.000 0.745 333 E HN 0.327 nan 8.360 nan 0.000 0.458 334 T N -0.068 114.251 114.554 -0.392 0.000 2.737 334 T HA -0.152 4.199 4.350 0.001 0.000 0.265 334 T C 1.852 176.413 174.700 -0.233 0.000 1.038 334 T CA 1.433 63.327 62.100 -0.344 0.000 1.144 334 T CB -0.258 68.298 68.868 -0.520 0.000 0.866 334 T HN 0.170 nan 8.240 nan 0.000 0.434 335 R N 0.627 120.947 120.500 -0.301 0.000 2.081 335 R HA -0.063 4.277 4.340 0.001 0.000 0.235 335 R C 2.298 178.472 176.300 -0.209 0.000 1.131 335 R CA 1.149 57.097 56.100 -0.253 0.000 0.960 335 R CB -0.494 29.613 30.300 -0.322 0.000 0.856 335 R HN 0.218 nan 8.270 nan 0.000 0.436 336 V N 0.562 120.385 119.914 -0.152 0.000 2.407 336 V HA -0.229 3.891 4.120 0.001 0.000 0.248 336 V C 2.166 178.202 176.094 -0.098 0.000 1.055 336 V CA 2.261 64.502 62.300 -0.099 0.000 1.049 336 V CB -0.594 31.258 31.823 0.048 0.000 0.662 336 V HN 0.480 nan 8.190 nan 0.000 0.455 337 T N 0.600 115.087 114.554 -0.112 0.000 2.665 337 T HA -0.176 4.175 4.350 0.001 0.000 0.268 337 T C 1.776 176.392 174.700 -0.141 0.000 1.035 337 T CA 1.708 63.722 62.100 -0.143 0.000 1.151 337 T CB -0.276 68.472 68.868 -0.199 0.000 0.862 337 T HN 0.342 nan 8.240 nan 0.000 0.438 338 L N 0.687 121.840 121.223 -0.116 0.000 2.341 338 L HA 0.049 4.390 4.340 0.001 0.000 0.214 338 L C 2.708 179.536 176.870 -0.071 0.000 1.115 338 L CA 1.354 56.152 54.840 -0.069 0.000 0.820 338 L CB -0.476 41.588 42.059 0.008 0.000 0.944 338 L HN 0.453 nan 8.230 nan 0.000 0.452 339 T N -5.803 108.688 114.554 -0.105 0.000 2.955 339 T HA 0.250 4.601 4.350 0.001 0.000 0.251 339 T C 1.502 176.137 174.700 -0.108 0.000 1.002 339 T CA 0.611 62.644 62.100 -0.111 0.000 0.970 339 T CB 0.978 69.752 68.868 -0.157 0.000 1.091 339 T HN 0.296 nan 8.240 nan 0.000 0.495 340 G N 2.547 111.282 108.800 -0.108 0.000 2.179 340 G HA2 -0.297 3.664 3.960 0.001 0.000 0.260 340 G HA3 -0.297 3.664 3.960 0.001 0.000 0.260 340 G C -0.045 174.801 174.900 -0.090 0.000 0.977 340 G CA 0.406 45.455 45.100 -0.084 0.000 0.641 340 G HN 1.121 nan 8.290 nan 0.000 0.533 341 E N 0.108 120.219 120.200 -0.148 0.000 2.415 341 E HA 0.398 4.748 4.350 0.001 0.000 0.262 341 E C 0.238 176.790 176.600 -0.081 0.000 1.038 341 E CA 0.095 56.401 56.400 -0.158 0.000 0.921 341 E CB 0.498 30.030 29.700 -0.280 0.000 0.950 341 E HN 0.266 nan 8.360 nan 0.000 0.438 342 Q N 0.881 120.662 119.800 -0.031 0.000 2.064 342 Q HA 0.126 4.467 4.340 0.001 0.000 0.213 342 Q C -0.812 175.198 176.000 0.017 0.000 0.779 342 Q CA -0.109 55.708 55.803 0.022 0.000 1.032 342 Q CB 0.969 29.702 28.738 -0.009 0.000 1.203 342 Q HN 0.546 nan 8.270 nan 0.000 0.457 343 E N 0.696 120.910 120.200 0.024 0.000 2.366 343 E HA 0.409 4.760 4.350 0.001 0.000 0.266 343 E C 1.019 177.581 176.600 -0.064 0.000 1.051 343 E CA 0.607 57.000 56.400 -0.011 0.000 0.884 343 E CB 0.733 30.431 29.700 -0.003 0.000 1.006 343 E HN 0.312 nan 8.360 nan 0.000 0.417 344 G N 2.423 111.151 108.800 -0.120 0.000 2.596 344 G HA2 -0.395 3.566 3.960 0.001 0.000 0.295 344 G HA3 -0.395 3.566 3.960 0.001 0.000 0.295 344 G C 0.748 175.513 174.900 -0.224 0.000 1.240 344 G CA 0.823 45.802 45.100 -0.202 0.000 0.985 344 G HN 0.684 nan 8.290 nan 0.000 0.555 345 Y N -1.076 119.128 120.300 -0.160 0.000 2.497 345 Y HA 0.253 4.803 4.550 0.001 0.000 0.292 345 Y C 2.526 178.353 175.900 -0.122 0.000 1.137 345 Y CA 1.375 59.402 58.100 -0.121 0.000 1.285 345 Y CB -0.786 37.671 38.460 -0.006 0.000 0.991 345 Y HN 0.433 nan 8.280 nan 0.000 0.556 346 Y N 1.321 121.580 120.300 -0.069 0.000 2.315 346 Y HA -0.123 4.428 4.550 0.002 0.000 0.288 346 Y C 2.635 178.602 175.900 0.111 0.000 1.154 346 Y CA 0.627 58.781 58.100 0.090 0.000 1.229 346 Y CB -0.892 37.514 38.460 -0.090 0.000 0.980 346 Y HN 0.317 nan 8.280 nan 0.000 0.540 347 A N 0.055 122.903 122.820 0.047 0.000 2.131 347 A HA -0.087 4.234 4.320 0.001 0.000 0.220 347 A C 2.477 179.923 177.584 -0.230 0.000 1.158 347 A CA 1.391 53.378 52.037 -0.084 0.000 0.665 347 A CB -1.250 17.650 19.000 -0.166 0.000 0.795 347 A HN 0.451 nan 8.150 nan 0.000 0.460 348 G N -2.137 106.427 108.800 -0.393 0.000 2.776 348 G HA2 0.261 4.222 3.960 0.001 0.000 0.209 348 G HA3 0.261 4.222 3.960 0.001 0.000 0.209 348 G C 0.052 174.540 174.900 -0.687 0.000 1.145 348 G CA 0.267 44.882 45.100 -0.808 0.000 0.791 348 G HN 0.477 nan 8.290 nan 0.000 0.530 349 Y N -2.212 118.158 120.300 0.117 0.000 2.457 349 Y HA 0.465 5.016 4.550 0.002 0.000 0.343 349 Y C 1.008 176.947 175.900 0.064 0.000 0.994 349 Y CA -1.230 56.965 58.100 0.158 0.000 1.031 349 Y CB 1.826 40.424 38.460 0.230 0.000 1.246 349 Y HN -0.139 nan 8.280 nan 0.000 0.449 350 R N 1.780 122.368 120.500 0.147 0.000 2.100 350 R HA 0.316 4.656 4.340 0.001 0.000 0.220 350 R C 0.666 176.995 176.300 0.048 0.000 1.091 350 R CA 1.123 57.257 56.100 0.056 0.000 0.986 350 R CB -0.193 30.105 30.300 -0.004 0.000 0.888 350 R HN 1.060 nan 8.270 nan 0.000 0.444 351 G N -0.531 108.313 108.800 0.074 0.000 2.860 351 G HA2 0.148 4.108 3.960 0.001 0.000 0.553 351 G HA3 0.148 4.108 3.960 0.001 0.000 0.553 351 G C 0.043 174.905 174.900 -0.063 0.000 1.439 351 G CA -0.386 44.713 45.100 -0.002 0.000 0.879 351 G HN 0.944 nan 8.290 nan 0.000 0.545 352 G N -2.321 106.409 108.800 -0.116 0.000 2.555 352 G HA2 0.508 4.469 3.960 0.001 0.000 0.686 352 G HA3 0.508 4.469 3.960 0.001 0.000 0.686 352 G C 1.004 175.807 174.900 -0.163 0.000 1.275 352 G CA 0.827 45.838 45.100 -0.149 0.000 0.871 352 G HN 2.429 nan 8.290 nan 0.000 0.603 353 A N -0.256 122.460 122.820 -0.173 0.000 1.877 353 A HA 0.020 4.341 4.320 0.001 0.000 0.216 353 A C 2.132 179.610 177.584 -0.177 0.000 1.186 353 A CA 2.536 54.491 52.037 -0.137 0.000 0.620 353 A CB -0.583 18.383 19.000 -0.057 0.000 0.822 353 A HN 1.241 nan 8.150 nan 0.000 0.443 354 E N -0.098 119.872 120.200 -0.383 0.000 2.058 354 E HA -0.151 4.200 4.350 0.001 0.000 0.194 354 E C 2.126 178.608 176.600 -0.197 0.000 0.997 354 E CA 1.222 57.288 56.400 -0.557 0.000 0.801 354 E CB -0.303 28.898 29.700 -0.832 0.000 0.746 354 E HN 0.514 nan 8.360 nan 0.000 0.450 355 A N 1.113 123.850 122.820 -0.139 0.000 1.877 355 A HA -0.156 4.164 4.320 0.001 0.000 0.216 355 A C 2.254 179.869 177.584 0.052 0.000 1.186 355 A CA 1.304 53.327 52.037 -0.025 0.000 0.620 355 A CB -0.735 18.258 19.000 -0.012 0.000 0.822 355 A HN 0.342 nan 8.150 nan 0.000 0.443 356 L N -0.816 120.405 121.223 -0.004 0.000 2.046 356 L HA -0.200 4.141 4.340 0.001 0.000 0.208 356 L C 3.113 180.018 176.870 0.059 0.000 1.077 356 L CA 1.009 55.865 54.840 0.026 0.000 0.747 356 L CB -0.506 41.553 42.059 0.000 0.000 0.896 356 L HN 0.453 nan 8.230 nan 0.000 0.432 357 A N -0.754 122.070 122.820 0.006 0.000 1.908 357 A HA -0.305 4.016 4.320 0.001 0.000 0.218 357 A C 2.171 179.759 177.584 0.007 0.000 1.181 357 A CA 1.807 53.819 52.037 -0.041 0.000 0.627 357 A CB -0.883 18.047 19.000 -0.116 0.000 0.818 357 A HN 0.496 nan 8.150 nan 0.000 0.445 358 Y N 0.872 121.141 120.300 -0.053 0.000 2.163 358 Y HA -0.152 4.399 4.550 0.001 0.000 0.288 358 Y C 2.721 178.625 175.900 0.007 0.000 1.136 358 Y CA 2.316 60.399 58.100 -0.028 0.000 1.147 358 Y CB -0.601 37.841 38.460 -0.030 0.000 0.987 358 Y HN 0.298 nan 8.280 nan 0.000 0.509 359 T N 1.264 115.924 114.554 0.177 0.000 2.684 359 T HA -0.206 4.144 4.350 0.001 0.000 0.267 359 T C 1.946 176.669 174.700 0.039 0.000 1.036 359 T CA 2.108 64.295 62.100 0.145 0.000 1.148 359 T CB -0.487 68.519 68.868 0.232 0.000 0.863 359 T HN 0.336 nan 8.240 nan 0.000 0.436 360 I N 1.455 122.069 120.570 0.074 0.000 2.179 360 I HA -0.227 3.944 4.170 0.001 0.000 0.242 360 I C 2.742 178.781 176.117 -0.131 0.000 1.088 360 I CA 1.542 62.874 61.300 0.053 0.000 1.357 360 I CB -0.415 37.648 38.000 0.105 0.000 1.051 360 I HN 0.271 nan 8.210 nan 0.000 0.409 361 R N 0.813 121.206 120.500 -0.178 0.000 2.189 361 R HA -0.078 4.263 4.340 0.001 0.000 0.223 361 R C 1.743 177.852 176.300 -0.318 0.000 1.092 361 R CA 1.020 56.980 56.100 -0.233 0.000 0.989 361 R CB -0.178 29.997 30.300 -0.208 0.000 0.876 361 R HN 0.179 nan 8.270 nan 0.000 0.457 362 R N -0.081 120.178 120.500 -0.401 0.000 2.334 362 R HA 0.220 4.561 4.340 0.001 0.000 0.216 362 R C 1.359 177.399 176.300 -0.434 0.000 0.905 362 R CA 0.603 56.472 56.100 -0.384 0.000 1.064 362 R CB 0.452 30.495 30.300 -0.429 0.000 1.046 362 R HN 0.568 nan 8.270 nan 0.000 0.508 363 G N 1.019 109.502 108.800 -0.527 0.000 3.548 363 G HA2 -0.304 3.657 3.960 0.001 0.000 0.224 363 G HA3 -0.304 3.657 3.960 0.001 0.000 0.224 363 G C -0.184 174.513 174.900 -0.339 0.000 1.351 363 G CA 0.740 45.211 45.100 -1.049 0.000 0.905 363 G HN 0.387 nan 8.290 nan 0.000 0.561 364 W N -0.724 120.608 121.300 0.053 0.000 2.902 364 W HA 0.888 5.549 4.660 0.002 0.000 0.346 364 W C 0.654 177.282 176.519 0.181 0.000 1.139 364 W CA -1.016 56.458 57.345 0.215 0.000 1.139 364 W CB 0.732 30.386 29.460 0.323 0.000 1.439 364 W HN 0.237 nan 8.180 nan 0.000 0.558 365 R N -0.118 120.737 120.500 0.591 0.000 2.062 365 R HA 0.084 4.424 4.340 0.001 0.000 0.226 365 R C -0.282 176.188 176.300 0.284 0.000 1.125 365 R CA 0.708 57.061 56.100 0.421 0.000 0.966 365 R CB -0.394 30.115 30.300 0.349 0.000 0.861 365 R HN 0.545 nan 8.270 nan 0.000 0.433 366 Y N 1.456 121.945 120.300 0.315 0.000 2.452 366 Y HA 0.141 4.692 4.550 0.002 0.000 0.348 366 Y C 0.033 175.993 175.900 0.100 0.000 0.985 366 Y CA -0.013 58.170 58.100 0.139 0.000 1.214 366 Y CB 1.427 39.873 38.460 -0.022 0.000 1.136 366 Y HN 0.162 nan 8.280 nan 0.000 0.523 367 E N 2.231 122.582 120.200 0.251 0.000 2.734 367 E HA 0.276 4.627 4.350 0.001 0.000 0.211 367 E C 1.083 177.754 176.600 0.119 0.000 0.991 367 E CA 0.249 56.811 56.400 0.271 0.000 1.065 367 E CB 0.745 30.647 29.700 0.337 0.000 1.047 367 E HN 1.020 nan 8.360 nan 0.000 0.470 368 G N 1.634 110.467 108.800 0.054 0.000 2.367 368 G HA2 -0.213 3.748 3.960 0.001 0.000 0.181 368 G HA3 -0.213 3.748 3.960 0.001 0.000 0.181 368 G C 0.365 175.305 174.900 0.066 0.000 1.000 368 G CA -0.344 44.750 45.100 -0.010 0.000 0.693 368 G HN 0.200 nan 8.290 nan 0.000 0.480 369 Q N 0.552 120.429 119.800 0.129 0.000 2.471 369 Q HA 0.512 4.853 4.340 0.001 0.000 0.223 369 Q C -0.268 175.897 176.000 0.275 0.000 1.045 369 Q CA -0.665 55.241 55.803 0.173 0.000 0.956 369 Q CB 0.859 29.665 28.738 0.113 0.000 1.249 369 Q HN 0.402 nan 8.270 nan 0.000 0.549 370 F N 1.840 121.859 119.950 0.116 0.000 2.538 370 F HA 0.126 4.654 4.527 0.001 0.000 0.371 370 F C -0.302 175.628 175.800 0.216 0.000 1.087 370 F CA -0.362 57.699 58.000 0.100 0.000 1.250 370 F CB 0.441 39.472 39.000 0.052 0.000 1.110 370 F HN 0.560 nan 8.300 nan 0.000 0.570 371 W N 7.999 128.870 121.300 -0.716 0.000 2.308 371 W HA 0.502 5.163 4.660 0.001 0.000 0.311 371 W C -0.637 175.381 176.519 -0.836 0.000 1.088 371 W CA -0.719 56.190 57.345 -0.727 0.000 1.309 371 W CB 1.555 30.464 29.460 -0.918 0.000 1.229 371 W HN 0.698 nan 8.180 nan 0.000 0.427 372 A N 5.592 128.022 122.820 -0.650 0.000 2.345 372 A HA 0.185 4.505 4.320 0.001 0.000 0.225 372 A C 0.197 177.516 177.584 -0.442 0.000 1.243 372 A CA -0.094 51.720 52.037 -0.371 0.000 0.875 372 A CB -0.293 18.709 19.000 0.003 0.000 0.929 372 A HN 0.303 nan 8.150 nan 0.000 0.502 373 V N 1.790 121.204 119.914 -0.834 0.000 2.485 373 V HA -0.015 4.106 4.120 0.001 0.000 0.287 373 V C 0.588 176.505 176.094 -0.296 0.000 1.022 373 V CA 0.123 62.036 62.300 -0.646 0.000 1.067 373 V CB 0.191 31.446 31.823 -0.947 0.000 0.967 373 V HN 0.451 nan 8.190 nan 0.000 0.479 374 K N 3.897 124.188 120.400 -0.182 0.000 2.451 374 K HA 0.337 4.658 4.320 0.001 0.000 0.280 374 K C 1.265 177.832 176.600 -0.055 0.000 1.020 374 K CA 0.968 57.202 56.287 -0.088 0.000 1.008 374 K CB 0.304 32.763 32.500 -0.068 0.000 0.917 374 K HN 1.070 nan 8.250 nan 0.000 0.478 375 G N 2.708 111.495 108.800 -0.022 0.000 2.195 375 G HA2 -0.279 3.682 3.960 0.001 0.000 0.246 375 G HA3 -0.279 3.682 3.960 0.001 0.000 0.246 375 G C 0.365 175.278 174.900 0.021 0.000 0.984 375 G CA 0.219 45.316 45.100 -0.006 0.000 0.633 375 G HN 0.713 nan 8.290 nan 0.000 0.525 376 E N -0.002 120.228 120.200 0.050 0.000 2.759 376 E HA 0.183 4.534 4.350 0.001 0.000 0.220 376 E C -0.294 176.464 176.600 0.265 0.000 0.974 376 E CA -0.291 56.203 56.400 0.158 0.000 1.148 376 E CB 0.586 30.477 29.700 0.319 0.000 1.059 376 E HN 0.568 nan 8.360 nan 0.000 0.493 377 E N 2.715 122.973 120.200 0.097 0.000 2.417 377 E HA 0.022 4.373 4.350 0.001 0.000 0.261 377 E C 0.003 176.658 176.600 0.091 0.000 1.000 377 E CA 0.624 56.986 56.400 -0.063 0.000 0.919 377 E CB 0.209 29.945 29.700 0.059 0.000 0.955 377 E HN 0.238 nan 8.360 nan 0.000 0.455 378 H N 0.408 119.284 119.070 -0.324 0.000 2.917 378 H HA 0.261 4.818 4.556 0.002 0.000 0.299 378 H C -1.075 174.194 175.328 -0.100 0.000 1.418 378 H CA -1.129 54.869 56.048 -0.083 0.000 1.138 378 H CB 0.399 30.144 29.762 -0.029 0.000 1.830 378 H HN 0.402 nan 8.280 nan 0.000 0.514 379 E N 1.460 121.664 120.200 0.007 0.000 2.129 379 E HA 0.218 4.569 4.350 0.001 0.000 0.283 379 E C -0.047 176.415 176.600 -0.230 0.000 1.080 379 E CA -0.333 56.044 56.400 -0.039 0.000 0.867 379 E CB 1.439 31.195 29.700 0.093 0.000 1.056 379 E HN 0.243 nan 8.360 nan 0.000 0.404 380 R N 2.661 122.933 120.500 -0.380 0.000 2.312 380 R HA 0.480 4.821 4.340 0.001 0.000 0.311 380 R C 0.117 176.297 176.300 -0.201 0.000 1.004 380 R CA 0.336 56.179 56.100 -0.427 0.000 0.902 380 R CB 0.835 30.701 30.300 -0.724 0.000 1.073 380 R HN 0.704 nan 8.270 nan 0.000 0.457 381 G N 2.085 110.725 108.800 -0.265 0.000 2.710 381 G HA2 -0.178 3.783 3.960 0.001 0.000 0.668 381 G HA3 -0.178 3.783 3.960 0.001 0.000 0.668 381 G C -1.540 173.102 174.900 -0.430 0.000 1.320 381 G CA -0.674 44.263 45.100 -0.272 0.000 0.860 381 G HN 0.767 nan 8.290 nan 0.000 0.538 382 H N -0.528 118.582 119.070 0.066 0.000 3.016 382 H HA 0.590 5.147 4.556 0.001 0.000 0.362 382 H C -2.530 173.020 175.328 0.371 0.000 1.233 382 H CA -1.225 54.930 56.048 0.178 0.000 1.124 382 H CB 1.960 31.802 29.762 0.133 0.000 1.850 382 H HN 0.534 nan 8.280 nan 0.000 0.549 383 P HA -0.033 nan 4.420 nan 0.000 0.262 383 P C 0.344 177.845 177.300 0.334 0.000 1.182 383 P CA 0.251 63.539 63.100 0.313 0.000 0.761 383 P CB 0.586 32.403 31.700 0.195 0.000 0.795 384 S N 0.567 116.399 115.700 0.221 0.000 2.631 384 S HA -0.011 4.460 4.470 0.001 0.000 0.217 384 S C 0.905 175.487 174.600 -0.030 0.000 0.958 384 S CA 0.159 58.338 58.200 -0.035 0.000 0.920 384 S CB -0.713 62.192 63.200 -0.491 0.000 0.776 384 S HN 0.240 nan 8.310 nan 0.000 0.517 385 D N 3.151 123.564 120.400 0.022 0.000 2.158 385 D HA -0.055 4.586 4.640 0.001 0.000 0.197 385 D C 2.043 178.340 176.300 -0.005 0.000 0.995 385 D CA 1.523 55.525 54.000 0.004 0.000 0.846 385 D CB -0.400 40.412 40.800 0.020 0.000 0.941 385 D HN 0.616 nan 8.370 nan 0.000 0.456 386 A N 0.003 122.821 122.820 -0.004 0.000 2.066 386 A HA 0.031 4.352 4.320 0.001 0.000 0.218 386 A C 0.986 178.537 177.584 -0.054 0.000 1.157 386 A CA 0.406 52.432 52.037 -0.020 0.000 0.670 386 A CB -0.350 18.643 19.000 -0.013 0.000 0.804 386 A HN 0.167 nan 8.150 nan 0.000 0.453 387 L N 0.174 121.339 121.223 -0.096 0.000 2.375 387 L HA 0.423 4.764 4.340 0.001 0.000 0.271 387 L C 0.286 177.129 176.870 -0.046 0.000 1.107 387 L CA -0.580 54.148 54.840 -0.187 0.000 0.806 387 L CB 0.988 42.706 42.059 -0.568 0.000 1.146 387 L HN 0.220 nan 8.230 nan 0.000 0.447 388 E N 0.881 121.045 120.200 -0.060 0.000 2.243 388 E HA 0.450 4.801 4.350 0.001 0.000 0.260 388 E C 0.495 177.141 176.600 0.077 0.000 0.985 388 E CA 0.041 56.447 56.400 0.011 0.000 0.858 388 E CB 1.824 31.509 29.700 -0.026 0.000 1.210 388 E HN 0.534 nan 8.360 nan 0.000 0.411 389 A N 2.672 125.524 122.820 0.053 0.000 1.892 389 A HA -0.108 4.213 4.320 0.001 0.000 0.218 389 A C -0.828 176.775 177.584 0.032 0.000 1.188 389 A CA 1.885 53.944 52.037 0.037 0.000 0.631 389 A CB -1.703 17.249 19.000 -0.080 0.000 0.822 389 A HN 0.655 nan 8.150 nan 0.000 0.447 390 P HA -0.080 nan 4.420 nan 0.000 0.222 390 P C 0.831 178.110 177.300 -0.036 0.000 1.147 390 P CA 0.917 63.994 63.100 -0.038 0.000 0.790 390 P CB -0.140 31.538 31.700 -0.037 0.000 0.780 391 N N -1.004 117.638 118.700 -0.097 0.000 2.453 391 N HA -0.059 4.682 4.740 0.001 0.000 0.183 391 N C 0.076 175.411 175.510 -0.291 0.000 1.041 391 N CA 0.769 53.690 53.050 -0.215 0.000 0.900 391 N CB -0.343 37.910 38.487 -0.390 0.000 0.961 391 N HN 0.229 nan 8.380 nan 0.000 0.443 392 F N 0.515 120.387 119.950 -0.130 0.000 2.410 392 F HA 0.286 4.814 4.527 0.001 0.000 0.349 392 F C 0.372 176.082 175.800 -0.150 0.000 1.117 392 F CA -0.781 57.144 58.000 -0.126 0.000 1.104 392 F CB 1.175 39.965 39.000 -0.351 0.000 1.122 392 F HN -0.375 nan 8.300 nan 0.000 0.483 393 V N 4.863 124.875 119.914 0.163 0.000 2.383 393 V HA 0.255 4.376 4.120 0.001 0.000 0.275 393 V C -0.559 175.632 176.094 0.161 0.000 1.036 393 V CA -0.756 61.581 62.300 0.062 0.000 0.889 393 V CB 0.482 32.280 31.823 -0.041 0.000 0.985 393 V HN 0.444 nan 8.190 nan 0.000 0.459 394 Y N 3.572 123.793 120.300 -0.132 0.000 2.457 394 Y HA 0.771 5.322 4.550 0.001 0.000 0.333 394 Y C 0.421 176.252 175.900 -0.116 0.000 1.119 394 Y CA -1.619 56.383 58.100 -0.162 0.000 1.143 394 Y CB 1.897 40.059 38.460 -0.498 0.000 1.230 394 Y HN 0.905 nan 8.280 nan 0.000 0.469 395 C N 1.453 120.854 119.300 0.170 0.000 3.318 395 C HA 0.656 5.117 4.460 0.001 0.000 0.322 395 C C 0.725 175.902 174.990 0.311 0.000 1.398 395 C CA -1.015 58.090 59.018 0.145 0.000 1.339 395 C CB 0.610 28.322 27.740 -0.046 0.000 1.668 395 C HN 0.895 nan 8.230 nan 0.000 0.462 396 I N -2.046 118.677 120.570 0.255 0.000 4.139 396 I HA 0.335 4.506 4.170 0.001 0.000 0.335 396 I C -0.094 176.228 176.117 0.343 0.000 1.327 396 I CA 0.451 61.910 61.300 0.265 0.000 1.112 396 I CB -0.082 37.996 38.000 0.131 0.000 1.058 396 I HN 0.671 nan 8.210 nan 0.000 0.396 397 Q N 2.692 122.622 119.800 0.217 0.000 2.320 397 Q HA 0.424 4.764 4.340 0.001 0.000 0.272 397 Q C -1.583 174.385 176.000 -0.053 0.000 1.023 397 Q CA -0.397 55.469 55.803 0.105 0.000 0.855 397 Q CB 2.634 31.450 28.738 0.129 0.000 1.367 397 Q HN 0.562 nan 8.270 nan 0.000 0.406 398 N N -1.011 117.547 118.700 -0.238 0.000 3.243 398 N HA 0.167 4.908 4.740 0.001 0.000 0.280 398 N C 0.751 175.855 175.510 -0.677 0.000 1.545 398 N CA -0.448 52.406 53.050 -0.327 0.000 0.854 398 N CB 0.046 38.403 38.487 -0.216 0.000 1.612 398 N HN 0.572 nan 8.380 nan 0.000 0.577 399 H N -1.325 117.412 119.070 -0.555 0.000 2.352 399 H HA -0.070 4.486 4.556 0.001 0.000 0.299 399 H C -0.121 175.007 175.328 -0.333 0.000 1.097 399 H CA 1.779 57.400 56.048 -0.712 0.000 1.311 399 H CB -0.290 29.200 29.762 -0.454 0.000 1.377 399 H HN 0.553 nan 8.280 nan 0.000 0.504 400 D N 0.673 120.698 120.400 -0.626 0.000 2.162 400 D HA -0.076 4.565 4.640 0.001 0.000 0.203 400 D C 2.198 178.472 176.300 -0.043 0.000 0.967 400 D CA 0.650 54.536 54.000 -0.190 0.000 0.840 400 D CB 0.044 40.685 40.800 -0.266 0.000 0.972 400 D HN 0.385 nan 8.370 nan 0.000 0.482 401 Q N -0.101 119.600 119.800 -0.165 0.000 2.472 401 Q HA 0.091 4.432 4.340 0.001 0.000 0.208 401 Q C 2.013 178.054 176.000 0.067 0.000 0.958 401 Q CA 0.203 55.989 55.803 -0.027 0.000 0.932 401 Q CB 0.684 29.244 28.738 -0.296 0.000 1.007 401 Q HN 0.446 nan 8.270 nan 0.000 0.508 402 I N -1.253 119.301 120.570 -0.025 0.000 2.900 402 I HA 0.041 4.212 4.170 0.001 0.000 0.251 402 I C 2.075 178.296 176.117 0.174 0.000 1.102 402 I CA 0.771 62.093 61.300 0.037 0.000 1.457 402 I CB -0.311 37.624 38.000 -0.108 0.000 1.285 402 I HN 0.097 nan 8.210 nan 0.000 0.459 403 G N 1.757 110.735 108.800 0.297 0.000 2.484 403 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 403 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 403 G C 1.241 176.434 174.900 0.489 0.000 1.130 403 G CA 0.826 46.286 45.100 0.601 0.000 0.784 403 G HN 0.492 nan 8.290 nan 0.000 0.543 404 N N 0.474 119.391 118.700 0.362 0.000 2.512 404 N HA -0.040 4.701 4.740 0.001 0.000 0.183 404 N C 0.837 176.489 175.510 0.236 0.000 1.073 404 N CA 0.055 53.272 53.050 0.278 0.000 0.911 404 N CB -0.194 38.438 38.487 0.242 0.000 0.964 404 N HN 0.229 nan 8.380 nan 0.000 0.447 405 R N 0.567 121.144 120.500 0.128 0.000 2.410 405 R HA 0.212 4.553 4.340 0.001 0.000 0.288 405 R C -1.538 174.588 176.300 -0.289 0.000 1.051 405 R CA -1.694 54.386 56.100 -0.034 0.000 1.021 405 R CB 0.511 30.814 30.300 0.005 0.000 1.032 405 R HN 0.045 nan 8.270 nan 0.000 0.481 406 P HA -0.188 nan 4.420 nan 0.000 0.216 406 P C 0.670 177.728 177.300 -0.403 0.000 1.154 406 P CA 1.591 64.060 63.100 -1.052 0.000 0.865 406 P CB 0.192 31.404 31.700 -0.812 0.000 0.789 407 L N -3.159 117.933 121.223 -0.218 0.000 2.728 407 L HA 0.358 4.699 4.340 0.001 0.000 0.238 407 L C 1.153 178.015 176.870 -0.015 0.000 1.143 407 L CA 0.298 55.085 54.840 -0.089 0.000 0.937 407 L CB -0.720 41.295 42.059 -0.073 0.000 1.225 407 L HN 0.095 nan 8.230 nan 0.000 0.507 408 G N 1.791 110.595 108.800 0.006 0.000 2.283 408 G HA2 -0.278 3.683 3.960 0.001 0.000 0.280 408 G HA3 -0.278 3.683 3.960 0.001 0.000 0.280 408 G C 0.270 175.216 174.900 0.078 0.000 1.029 408 G CA 0.559 45.717 45.100 0.096 0.000 0.840 408 G HN 0.550 nan 8.290 nan 0.000 0.505 409 E N 0.342 120.551 120.200 0.016 0.000 2.349 409 E HA 0.469 4.820 4.350 0.001 0.000 0.265 409 E C 0.549 177.135 176.600 -0.025 0.000 1.064 409 E CA -0.636 55.751 56.400 -0.022 0.000 0.886 409 E CB 1.014 30.673 29.700 -0.067 0.000 1.036 409 E HN 0.484 nan 8.360 nan 0.000 0.413 410 R N 1.011 121.461 120.500 -0.083 0.000 2.583 410 R HA 0.141 4.482 4.340 0.001 0.000 0.268 410 R C 1.291 177.528 176.300 -0.105 0.000 1.101 410 R CA -0.631 55.433 56.100 -0.059 0.000 1.180 410 R CB 0.298 30.571 30.300 -0.045 0.000 1.128 410 R HN 0.483 nan 8.270 nan 0.000 0.568 411 L N 1.558 122.837 121.223 0.094 0.000 2.046 411 L HA -0.194 4.147 4.340 0.001 0.000 0.208 411 L C 2.077 178.969 176.870 0.037 0.000 1.077 411 L CA 2.072 56.993 54.840 0.136 0.000 0.747 411 L CB -0.684 41.580 42.059 0.341 0.000 0.896 411 L HN 0.796 nan 8.230 nan 0.000 0.432 412 H N -2.797 116.159 119.070 -0.189 0.000 2.545 412 H HA -0.001 4.556 4.556 0.002 0.000 0.282 412 H C 1.840 177.075 175.328 -0.154 0.000 1.020 412 H CA 0.910 56.778 56.048 -0.300 0.000 1.243 412 H CB -0.364 28.932 29.762 -0.776 0.000 1.377 412 H HN 0.514 nan 8.280 nan 0.000 0.581 413 Q N 0.698 120.177 119.800 -0.535 0.000 2.354 413 Q HA 0.139 4.479 4.340 0.001 0.000 0.203 413 Q C 0.342 176.243 176.000 -0.166 0.000 0.933 413 Q CA 0.109 55.704 55.803 -0.346 0.000 0.901 413 Q CB 0.621 29.139 28.738 -0.367 0.000 1.007 413 Q HN 0.306 nan 8.270 nan 0.000 0.495 414 S N 1.631 117.253 115.700 -0.130 0.000 2.572 414 S HA 0.009 4.480 4.470 0.001 0.000 0.279 414 S C -0.344 174.214 174.600 -0.070 0.000 1.341 414 S CA -0.447 57.700 58.200 -0.088 0.000 1.043 414 S CB 0.410 63.563 63.200 -0.079 0.000 0.887 414 S HN 0.146 nan 8.310 nan 0.000 0.516 415 D N 1.241 121.602 120.400 -0.065 0.000 2.487 415 D HA 0.354 4.995 4.640 0.001 0.000 0.243 415 D C 1.297 177.569 176.300 -0.047 0.000 1.154 415 D CA 1.644 55.612 54.000 -0.053 0.000 0.876 415 D CB 0.335 41.104 40.800 -0.052 0.000 1.161 415 D HN 0.778 nan 8.370 nan 0.000 0.478 416 G N 1.326 110.105 108.800 -0.035 0.000 2.317 416 G HA2 -0.283 3.678 3.960 0.001 0.000 0.227 416 G HA3 -0.283 3.678 3.960 0.001 0.000 0.227 416 G C 0.404 175.298 174.900 -0.010 0.000 1.042 416 G CA 0.036 45.120 45.100 -0.026 0.000 0.623 416 G HN 0.559 nan 8.290 nan 0.000 0.509 417 V N 3.421 123.334 119.914 -0.002 0.000 2.540 417 V HA 0.443 4.564 4.120 0.001 0.000 0.297 417 V C 1.342 177.470 176.094 0.057 0.000 1.024 417 V CA 0.812 63.136 62.300 0.041 0.000 1.105 417 V CB 0.721 32.580 31.823 0.060 0.000 0.938 417 V HN 0.898 nan 8.190 nan 0.000 0.482 418 T N 2.704 117.312 114.554 0.089 0.000 2.902 418 T HA 0.493 4.844 4.350 0.001 0.000 0.280 418 T C 1.013 175.815 174.700 0.170 0.000 0.992 418 T CA -0.743 61.404 62.100 0.079 0.000 1.015 418 T CB 1.120 70.007 68.868 0.033 0.000 1.044 418 T HN 0.316 nan 8.240 nan 0.000 0.520 419 L N 0.278 121.592 121.223 0.152 0.000 2.201 419 L HA -0.050 4.291 4.340 0.001 0.000 0.212 419 L C 2.754 179.871 176.870 0.411 0.000 1.105 419 L CA 1.213 56.208 54.840 0.258 0.000 0.775 419 L CB -0.604 41.571 42.059 0.192 0.000 0.913 419 L HN 0.843 nan 8.230 nan 0.000 0.440 420 H N -0.504 118.676 119.070 0.184 0.000 2.326 420 H HA -0.149 4.408 4.556 0.001 0.000 0.301 420 H C 2.027 177.504 175.328 0.248 0.000 1.081 420 H CA 1.197 57.359 56.048 0.190 0.000 1.334 420 H CB 0.275 30.133 29.762 0.161 0.000 1.385 420 H HN 0.409 nan 8.280 nan 0.000 0.504 421 E N 0.365 120.811 120.200 0.410 0.000 2.077 421 E HA -0.210 4.141 4.350 0.001 0.000 0.193 421 E C 1.882 178.752 176.600 0.450 0.000 0.989 421 E CA 0.892 57.566 56.400 0.456 0.000 0.800 421 E CB -0.125 29.775 29.700 0.334 0.000 0.746 421 E HN 0.436 nan 8.360 nan 0.000 0.452 422 Y N 1.763 122.204 120.300 0.236 0.000 2.165 422 Y HA -0.216 4.335 4.550 0.001 0.000 0.286 422 Y C 2.133 178.098 175.900 0.108 0.000 1.155 422 Y CA 1.630 59.840 58.100 0.184 0.000 1.164 422 Y CB 0.046 38.616 38.460 0.184 0.000 0.978 422 Y HN -0.153 nan 8.280 nan 0.000 0.513 423 R N -0.657 119.944 120.500 0.169 0.000 2.092 423 R HA -0.116 4.225 4.340 0.001 0.000 0.231 423 R C 2.557 178.729 176.300 -0.213 0.000 1.119 423 R CA 1.076 57.166 56.100 -0.017 0.000 0.970 423 R CB -0.933 29.415 30.300 0.079 0.000 0.864 423 R HN 0.515 nan 8.270 nan 0.000 0.440 424 G N 0.763 109.456 108.800 -0.179 0.000 2.418 424 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 424 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 424 G C 1.542 175.712 174.900 -1.217 0.000 1.158 424 G CA 0.833 45.542 45.100 -0.652 0.000 0.771 424 G HN 0.409 nan 8.290 nan 0.000 0.545 425 A N 1.173 123.488 122.820 -0.842 0.000 1.933 425 A HA 0.275 4.596 4.320 0.001 0.000 0.218 425 A C 2.822 180.102 177.584 -0.506 0.000 1.175 425 A CA 2.187 53.761 52.037 -0.772 0.000 0.628 425 A CB -0.775 18.131 19.000 -0.157 0.000 0.814 425 A HN 0.790 nan 8.150 nan 0.000 0.444 426 A N -0.013 122.525 122.820 -0.470 0.000 1.908 426 A HA 0.106 4.427 4.320 0.001 0.000 0.218 426 A C 2.513 179.827 177.584 -0.449 0.000 1.181 426 A CA 2.227 53.974 52.037 -0.484 0.000 0.627 426 A CB -1.050 17.484 19.000 -0.777 0.000 0.818 426 A HN 1.083 nan 8.150 nan 0.000 0.445 427 A N -0.498 122.042 122.820 -0.466 0.000 1.902 427 A HA -0.048 4.273 4.320 0.001 0.000 0.217 427 A C 2.151 179.557 177.584 -0.297 0.000 1.181 427 A CA 1.806 53.624 52.037 -0.365 0.000 0.623 427 A CB -0.655 18.130 19.000 -0.357 0.000 0.818 427 A HN 0.754 nan 8.150 nan 0.000 0.443 428 L N -0.690 120.306 121.223 -0.378 0.000 1.994 428 L HA -0.129 4.212 4.340 0.001 0.000 0.208 428 L C 2.272 179.113 176.870 -0.049 0.000 1.071 428 L CA 2.252 56.989 54.840 -0.173 0.000 0.745 428 L CB -0.742 41.222 42.059 -0.159 0.000 0.892 428 L HN 0.347 nan 8.230 nan 0.000 0.431 429 L N -0.556 120.645 121.223 -0.036 0.000 2.012 429 L HA -0.201 4.140 4.340 0.001 0.000 0.210 429 L C 2.158 178.983 176.870 -0.075 0.000 1.073 429 L CA 2.004 56.844 54.840 -0.001 0.000 0.748 429 L CB -0.591 41.493 42.059 0.042 0.000 0.891 429 L HN 0.328 nan 8.230 nan 0.000 0.431 430 L N -1.096 120.053 121.223 -0.122 0.000 2.591 430 L HA 0.013 4.353 4.340 0.001 0.000 0.228 430 L C 1.772 178.583 176.870 -0.099 0.000 1.133 430 L CA 0.896 55.668 54.840 -0.114 0.000 0.880 430 L CB -0.742 41.222 42.059 -0.157 0.000 1.033 430 L HN 0.483 nan 8.230 nan 0.000 0.450 431 T N -3.670 110.827 114.554 -0.096 0.000 3.040 431 T HA 0.234 4.585 4.350 0.001 0.000 0.250 431 T C 0.726 175.389 174.700 -0.062 0.000 1.058 431 T CA -0.229 61.828 62.100 -0.071 0.000 0.988 431 T CB 0.038 68.867 68.868 -0.064 0.000 0.993 431 T HN -0.000 nan 8.240 nan 0.000 0.519 432 L N 2.981 124.158 121.223 -0.076 0.000 2.436 432 L HA 0.391 4.732 4.340 0.001 0.000 0.265 432 L C -1.575 175.220 176.870 -0.126 0.000 1.168 432 L CA -2.144 52.638 54.840 -0.097 0.000 0.815 432 L CB 0.408 42.392 42.059 -0.126 0.000 1.109 432 L HN 0.120 nan 8.230 nan 0.000 0.462 436 P HA 0.721 nan 4.420 nan 0.000 0.285 436 P C -1.113 176.225 177.300 0.063 0.000 1.269 436 P CA -0.867 62.230 63.100 -0.006 0.000 0.844 436 P CB 1.444 33.133 31.700 -0.019 0.000 1.094 437 L N 1.941 123.187 121.223 0.039 0.000 2.410 437 L HA 0.523 4.864 4.340 0.001 0.000 0.270 437 L C -1.363 175.523 176.870 0.027 0.000 0.983 437 L CA -0.792 54.075 54.840 0.046 0.000 0.822 437 L CB 1.299 43.240 42.059 -0.197 0.000 1.285 437 L HN 0.185 nan 8.230 nan 0.000 0.409 438 L N 3.692 124.948 121.223 0.056 0.000 2.330 438 L HA 0.511 4.852 4.340 0.001 0.000 0.271 438 L C -0.927 175.861 176.870 -0.138 0.000 1.013 438 L CA -0.612 54.236 54.840 0.012 0.000 0.816 438 L CB 1.831 43.930 42.059 0.068 0.000 1.287 438 L HN 0.498 nan 8.230 nan 0.000 0.435 439 F N 1.786 121.554 119.950 -0.303 0.000 2.399 439 F HA 0.288 4.816 4.527 0.002 0.000 0.334 439 F C 0.315 175.760 175.800 -0.592 0.000 1.097 439 F CA -0.772 56.985 58.000 -0.406 0.000 1.076 439 F CB 1.249 40.084 39.000 -0.276 0.000 1.162 439 F HN 0.532 nan 8.300 nan 0.000 0.495 440 Q N 3.832 122.739 119.800 -1.488 0.000 2.304 440 Q HA 0.292 4.633 4.340 0.001 0.000 0.315 440 Q C 0.816 176.392 176.000 -0.706 0.000 1.075 440 Q CA 0.661 55.853 55.803 -1.018 0.000 0.988 440 Q CB 0.022 28.409 28.738 -0.585 0.000 1.146 440 Q HN 1.173 nan 8.270 nan 0.000 0.383 441 G N 2.463 110.832 108.800 -0.718 0.000 2.253 441 G HA2 -0.441 3.520 3.960 0.001 0.000 0.251 441 G HA3 -0.441 3.520 3.960 0.001 0.000 0.251 441 G C 0.818 175.148 174.900 -0.951 0.000 0.998 441 G CA 0.536 44.799 45.100 -1.394 0.000 0.621 441 G HN 0.886 nan 8.290 nan 0.000 0.524 442 Q N 0.818 120.340 119.800 -0.463 0.000 2.291 442 Q HA -0.048 4.293 4.340 0.001 0.000 0.206 442 Q C 2.040 177.769 176.000 -0.452 0.000 0.976 442 Q CA 1.867 57.539 55.803 -0.219 0.000 0.875 442 Q CB -0.354 28.376 28.738 -0.013 0.000 0.927 442 Q HN 0.643 nan 8.270 nan 0.000 0.450 443 E N 0.877 120.704 120.200 -0.621 0.000 2.338 443 E HA -0.181 4.170 4.350 0.001 0.000 0.197 443 E C 0.783 177.242 176.600 -0.234 0.000 1.007 443 E CA 1.018 56.867 56.400 -0.918 0.000 0.849 443 E CB -0.285 29.202 29.700 -0.354 0.000 0.774 443 E HN 0.843 nan 8.360 nan 0.000 0.506 444 W N -0.188 121.051 121.300 -0.102 0.000 2.818 444 W HA 0.724 5.385 4.660 0.002 0.000 0.403 444 W C 0.171 176.756 176.519 0.110 0.000 0.991 444 W CA -0.719 56.650 57.345 0.041 0.000 1.925 444 W CB -0.116 29.367 29.460 0.037 0.000 1.166 444 W HN 0.140 nan 8.180 nan 0.000 0.605 445 A N 0.957 123.766 122.820 -0.018 0.000 2.519 445 A HA 0.090 4.411 4.320 0.001 0.000 0.297 445 A C 1.082 178.633 177.584 -0.056 0.000 1.472 445 A CA 0.740 52.545 52.037 -0.386 0.000 0.739 445 A CB -1.872 16.820 19.000 -0.512 0.000 1.096 445 A HN 1.489 nan 8.150 nan 0.000 0.414 446 A N 0.774 123.454 122.820 -0.234 0.000 2.561 446 A HA 0.451 4.772 4.320 0.001 0.000 0.234 446 A C 1.590 179.316 177.584 0.237 0.000 1.055 446 A CA 0.794 52.760 52.037 -0.118 0.000 0.756 446 A CB -0.025 18.719 19.000 -0.427 0.000 0.986 446 A HN 2.083 nan 8.150 nan 0.000 0.505 447 S N 0.922 116.762 115.700 0.232 0.000 2.527 447 S HA 0.041 4.512 4.470 0.001 0.000 0.222 447 S C 0.793 175.469 174.600 0.127 0.000 0.985 447 S CA 0.674 59.017 58.200 0.238 0.000 0.921 447 S CB -0.729 62.601 63.200 0.218 0.000 0.772 447 S HN 1.163 nan 8.310 nan 0.000 0.529 448 T N 1.302 115.919 114.554 0.105 0.000 2.907 448 T HA 0.611 4.962 4.350 0.001 0.000 0.284 448 T C -2.725 172.046 174.700 0.118 0.000 1.004 448 T CA -2.163 59.993 62.100 0.094 0.000 1.063 448 T CB 1.470 70.391 68.868 0.088 0.000 0.992 448 T HN 0.052 nan 8.240 nan 0.000 0.483 449 P HA 0.360 nan 4.420 nan 0.000 0.279 449 P C -1.195 176.283 177.300 0.297 0.000 1.282 449 P CA -0.710 62.483 63.100 0.154 0.000 0.788 449 P CB 0.523 32.287 31.700 0.107 0.000 1.139 450 F N 0.138 120.184 119.950 0.159 0.000 2.532 450 F HA 0.330 4.858 4.527 0.001 0.000 0.365 450 F C -0.087 175.907 175.800 0.325 0.000 1.112 450 F CA -0.437 57.711 58.000 0.247 0.000 1.082 450 F CB 1.027 40.137 39.000 0.183 0.000 1.319 450 F HN 0.173 nan 8.300 nan 0.000 0.457 451 Q N 3.541 123.383 119.800 0.070 0.000 2.193 451 Q HA 0.318 4.659 4.340 0.001 0.000 0.246 451 Q C -1.095 175.066 176.000 0.269 0.000 0.959 451 Q CA -1.099 54.827 55.803 0.205 0.000 0.904 451 Q CB 2.070 30.919 28.738 0.186 0.000 1.238 451 Q HN 0.618 nan 8.270 nan 0.000 0.469 452 F N 3.007 122.996 119.950 0.066 0.000 2.472 452 F HA 0.288 4.816 4.527 0.002 0.000 0.364 452 F C -1.085 174.570 175.800 -0.241 0.000 1.090 452 F CA -0.614 57.119 58.000 -0.444 0.000 1.188 452 F CB 0.021 38.672 39.000 -0.581 0.000 1.105 452 F HN 0.354 nan 8.300 nan 0.000 0.536 453 F N 3.162 122.448 119.950 -1.106 0.000 2.576 453 F HA 0.849 5.377 4.527 0.002 0.000 0.313 453 F C -0.933 174.304 175.800 -0.938 0.000 1.078 453 F CA -0.942 56.624 58.000 -0.722 0.000 0.921 453 F CB 1.192 40.081 39.000 -0.186 0.000 1.232 453 F HN 0.430 nan 8.300 nan 0.000 0.459 454 S N 0.053 115.542 115.700 -0.351 0.000 2.656 454 S HA 0.632 5.103 4.470 0.001 0.000 0.273 454 S C -1.640 172.895 174.600 -0.108 0.000 1.168 454 S CA -0.629 57.403 58.200 -0.280 0.000 0.817 454 S CB 1.981 65.031 63.200 -0.249 0.000 1.146 454 S HN 0.827 nan 8.310 nan 0.000 0.475 455 D N -0.286 120.019 120.400 -0.158 0.000 3.078 455 D HA 0.240 4.881 4.640 0.001 0.000 0.363 455 D C -0.873 175.377 176.300 -0.084 0.000 1.391 455 D CA -0.180 53.775 54.000 -0.075 0.000 0.754 455 D CB -0.107 40.667 40.800 -0.043 0.000 1.238 455 D HN 0.543 nan 8.370 nan 0.000 0.500 456 H N 0.191 119.287 119.070 0.042 0.000 2.607 456 H HA 0.578 5.136 4.556 0.002 0.000 0.367 456 H C 0.399 175.751 175.328 0.039 0.000 1.181 456 H CA 0.046 56.117 56.048 0.038 0.000 1.402 456 H CB 1.331 31.099 29.762 0.010 0.000 1.474 456 H HN 0.297 nan 8.280 nan 0.000 0.596 457 A N 1.289 124.228 122.820 0.199 0.000 2.286 457 A HA 0.517 4.838 4.320 0.001 0.000 0.286 457 A C 1.085 178.716 177.584 0.079 0.000 1.097 457 A CA 0.319 52.423 52.037 0.112 0.000 0.821 457 A CB -0.004 19.055 19.000 0.098 0.000 1.076 457 A HN 0.921 nan 8.150 nan 0.000 0.490 458 G N 0.742 109.573 108.800 0.052 0.000 2.614 458 G HA2 -0.338 3.623 3.960 0.001 0.000 0.303 458 G HA3 -0.338 3.623 3.960 0.001 0.000 0.303 458 G C 0.735 175.655 174.900 0.033 0.000 1.270 458 G CA 0.965 46.084 45.100 0.032 0.000 0.988 458 G HN 0.849 nan 8.290 nan 0.000 0.551 459 E N -0.418 119.793 120.200 0.018 0.000 2.106 459 E HA -0.031 4.320 4.350 0.001 0.000 0.192 459 E C 2.632 179.246 176.600 0.023 0.000 0.984 459 E CA 1.092 57.502 56.400 0.017 0.000 0.806 459 E CB -0.120 29.583 29.700 0.006 0.000 0.750 459 E HN 0.369 nan 8.360 nan 0.000 0.458 460 L N 0.634 121.864 121.223 0.011 0.000 2.012 460 L HA -0.105 4.236 4.340 0.001 0.000 0.210 460 L C 2.159 179.060 176.870 0.051 0.000 1.073 460 L CA 2.286 57.122 54.840 -0.006 0.000 0.748 460 L CB -0.951 41.049 42.059 -0.099 0.000 0.891 460 L HN 0.115 nan 8.230 nan 0.000 0.431 461 G N -1.578 107.279 108.800 0.095 0.000 2.418 461 G HA2 -0.285 3.676 3.960 0.001 0.000 0.217 461 G HA3 -0.285 3.676 3.960 0.001 0.000 0.217 461 G C 1.459 176.418 174.900 0.098 0.000 1.158 461 G CA 0.797 45.976 45.100 0.131 0.000 0.771 461 G HN 0.561 nan 8.290 nan 0.000 0.545 462 Q N 0.136 119.978 119.800 0.070 0.000 2.124 462 Q HA 0.043 4.384 4.340 0.001 0.000 0.202 462 Q C 2.986 179.021 176.000 0.059 0.000 0.977 462 Q CA 1.145 56.982 55.803 0.057 0.000 0.850 462 Q CB -0.234 28.528 28.738 0.040 0.000 0.901 462 Q HN 0.487 nan 8.270 nan 0.000 0.429 463 A N 0.301 123.157 122.820 0.060 0.000 1.930 463 A HA -0.124 4.197 4.320 0.001 0.000 0.217 463 A C 2.321 179.954 177.584 0.083 0.000 1.175 463 A CA 1.167 53.239 52.037 0.059 0.000 0.627 463 A CB -0.615 18.419 19.000 0.057 0.000 0.815 463 A HN 0.201 nan 8.150 nan 0.000 0.443 464 V N -0.029 119.959 119.914 0.124 0.000 2.261 464 V HA -0.242 3.878 4.120 0.001 0.000 0.246 464 V C 2.810 178.985 176.094 0.135 0.000 1.047 464 V CA 2.401 64.803 62.300 0.170 0.000 1.015 464 V CB -0.927 31.048 31.823 0.253 0.000 0.642 464 V HN 0.565 nan 8.190 nan 0.000 0.446 465 S N -0.535 115.235 115.700 0.117 0.000 2.370 465 S HA -0.263 4.207 4.470 0.001 0.000 0.226 465 S C 2.033 176.679 174.600 0.078 0.000 1.033 465 S CA 1.819 60.079 58.200 0.101 0.000 1.011 465 S CB -0.335 62.915 63.200 0.083 0.000 0.852 465 S HN 0.629 nan 8.310 nan 0.000 0.457 466 E N 1.132 121.367 120.200 0.059 0.000 2.072 466 E HA -0.032 4.319 4.350 0.001 0.000 0.191 466 E C 2.113 178.724 176.600 0.018 0.000 0.985 466 E CA 1.279 57.700 56.400 0.036 0.000 0.801 466 E CB -0.885 28.831 29.700 0.025 0.000 0.750 466 E HN 0.429 nan 8.360 nan 0.000 0.452 467 G N -0.010 108.799 108.800 0.014 0.000 2.422 467 G HA2 -0.311 3.650 3.960 0.001 0.000 0.218 467 G HA3 -0.311 3.650 3.960 0.001 0.000 0.218 467 G C 1.812 176.681 174.900 -0.051 0.000 1.146 467 G CA 0.904 45.985 45.100 -0.032 0.000 0.769 467 G HN 0.181 nan 8.290 nan 0.000 0.547 468 R N 0.638 121.148 120.500 0.018 0.000 2.073 468 R HA 0.094 4.435 4.340 0.001 0.000 0.229 468 R C 2.402 178.766 176.300 0.107 0.000 1.120 468 R CA 1.676 57.816 56.100 0.066 0.000 0.967 468 R CB -0.435 29.969 30.300 0.175 0.000 0.862 468 R HN 0.357 nan 8.270 nan 0.000 0.436 469 K N 0.371 120.826 120.400 0.090 0.000 2.032 469 K HA -0.167 4.154 4.320 0.001 0.000 0.209 469 K C 1.718 178.347 176.600 0.048 0.000 1.048 469 K CA 1.852 58.193 56.287 0.091 0.000 0.927 469 K CB 0.003 32.541 32.500 0.063 0.000 0.712 469 K HN 0.084 nan 8.250 nan 0.000 0.441 470 K N 0.439 120.834 120.400 -0.009 0.000 2.057 470 K HA -0.192 4.129 4.320 0.001 0.000 0.206 470 K C 2.157 178.691 176.600 -0.109 0.000 1.050 470 K CA 1.617 57.876 56.287 -0.046 0.000 0.935 470 K CB -0.103 32.364 32.500 -0.056 0.000 0.715 470 K HN 0.350 nan 8.250 nan 0.000 0.439 471 E N 0.319 120.391 120.200 -0.214 0.000 2.118 471 E HA -0.151 4.199 4.350 0.001 0.000 0.195 471 E C -0.020 176.262 176.600 -0.530 0.000 0.992 471 E CA 0.926 57.061 56.400 -0.443 0.000 0.804 471 E CB 0.108 29.398 29.700 -0.682 0.000 0.741 471 E HN 0.096 nan 8.360 nan 0.000 0.458 483 V N 3.276 123.204 119.914 0.023 0.000 2.521 483 V HA 0.233 4.354 4.120 0.001 0.000 0.286 483 V C -1.542 174.581 176.094 0.049 0.000 1.034 483 V CA -0.727 61.585 62.300 0.020 0.000 1.045 483 V CB 0.334 32.203 31.823 0.077 0.000 0.974 483 V HN 0.422 nan 8.190 nan 0.000 0.480 484 P HA 0.050 nan 4.420 nan 0.000 0.267 484 P C -0.540 176.816 177.300 0.093 0.000 1.205 484 P CA -0.228 62.911 63.100 0.066 0.000 0.765 484 P CB 0.544 32.286 31.700 0.070 0.000 0.828 485 D N 4.854 125.306 120.400 0.086 0.000 2.382 485 D HA 0.030 4.671 4.640 0.001 0.000 0.259 485 D C -1.292 175.068 176.300 0.100 0.000 1.224 485 D CA -2.051 52.006 54.000 0.094 0.000 0.894 485 D CB 0.693 41.539 40.800 0.076 0.000 1.127 485 D HN 0.157 nan 8.370 nan 0.000 0.487 486 P HA -0.137 nan 4.420 nan 0.000 0.220 486 P C 0.956 178.276 177.300 0.033 0.000 1.148 486 P CA 0.954 64.089 63.100 0.058 0.000 0.803 486 P CB 0.339 32.092 31.700 0.089 0.000 0.782 487 Q N -0.798 119.039 119.800 0.062 0.000 2.432 487 Q HA 0.139 4.480 4.340 0.001 0.000 0.205 487 Q C 0.903 176.937 176.000 0.057 0.000 0.945 487 Q CA 0.177 56.013 55.803 0.054 0.000 0.924 487 Q CB -0.108 28.671 28.738 0.069 0.000 1.016 487 Q HN 0.158 nan 8.270 nan 0.000 0.503 488 A N 1.087 123.948 122.820 0.068 0.000 2.409 488 A HA 0.075 4.396 4.320 0.001 0.000 0.262 488 A C 0.901 178.533 177.584 0.081 0.000 1.113 488 A CA -0.218 51.859 52.037 0.067 0.000 0.790 488 A CB 0.418 19.457 19.000 0.066 0.000 1.046 488 A HN 0.187 nan 8.150 nan 0.000 0.496 489 E N 0.962 121.209 120.200 0.078 0.000 2.114 489 E HA -0.305 4.046 4.350 0.001 0.000 0.199 489 E C 1.751 178.422 176.600 0.119 0.000 1.008 489 E CA 1.894 58.361 56.400 0.112 0.000 0.810 489 E CB 0.024 29.782 29.700 0.097 0.000 0.739 489 E HN 0.837 nan 8.360 nan 0.000 0.456 490 Q N 0.195 120.042 119.800 0.078 0.000 2.181 490 Q HA -0.137 4.204 4.340 0.001 0.000 0.205 490 Q C 1.941 177.972 176.000 0.051 0.000 0.980 490 Q CA 1.919 57.754 55.803 0.053 0.000 0.862 490 Q CB -0.296 28.468 28.738 0.045 0.000 0.905 490 Q HN 0.176 nan 8.270 nan 0.000 0.429 491 T N 0.140 114.743 114.554 0.081 0.000 2.821 491 T HA -0.110 4.240 4.350 0.001 0.000 0.267 491 T C 1.226 175.969 174.700 0.071 0.000 1.046 491 T CA 1.142 63.303 62.100 0.101 0.000 1.139 491 T CB -0.461 68.491 68.868 0.140 0.000 0.871 491 T HN 0.371 nan 8.240 nan 0.000 0.454 492 F N 2.010 121.830 119.950 -0.217 0.000 2.075 492 F HA 0.011 4.539 4.527 0.002 0.000 0.297 492 F C 1.896 177.502 175.800 -0.323 0.000 1.113 492 F CA 1.056 58.680 58.000 -0.626 0.000 1.218 492 F CB -0.717 37.947 39.000 -0.560 0.000 0.984 492 F HN 0.037 nan 8.300 nan 0.000 0.472 493 L N 0.208 121.256 121.223 -0.291 0.000 2.083 493 L HA -0.258 4.083 4.340 0.001 0.000 0.209 493 L C 2.256 179.012 176.870 -0.190 0.000 1.083 493 L CA 1.196 55.846 54.840 -0.318 0.000 0.752 493 L CB -0.994 40.995 42.059 -0.117 0.000 0.899 493 L HN 0.171 nan 8.230 nan 0.000 0.433 494 N N -0.027 118.619 118.700 -0.090 0.000 2.091 494 N HA -0.184 4.556 4.740 0.001 0.000 0.193 494 N C 1.842 177.347 175.510 -0.009 0.000 1.021 494 N CA 1.782 54.819 53.050 -0.023 0.000 0.862 494 N CB -0.322 38.178 38.487 0.023 0.000 1.018 494 N HN 0.187 nan 8.380 nan 0.000 0.429 495 S N 0.167 115.845 115.700 -0.037 0.000 2.603 495 S HA 0.072 4.543 4.470 0.001 0.000 0.220 495 S C 0.425 175.082 174.600 0.094 0.000 0.967 495 S CA 0.124 58.375 58.200 0.085 0.000 0.920 495 S CB 0.290 63.563 63.200 0.122 0.000 0.773 495 S HN 0.190 nan 8.310 nan 0.000 0.529 496 K N 2.071 122.432 120.400 -0.066 0.000 2.401 496 K HA 0.159 4.480 4.320 0.001 0.000 0.278 496 K C -0.012 176.608 176.600 0.032 0.000 1.018 496 K CA 0.020 56.284 56.287 -0.038 0.000 0.981 496 K CB 0.460 32.885 32.500 -0.126 0.000 0.933 496 K HN 0.278 nan 8.250 nan 0.000 0.477 497 L N 2.668 123.919 121.223 0.048 0.000 2.485 497 L HA -0.022 4.319 4.340 0.001 0.000 0.275 497 L C 0.982 177.805 176.870 -0.077 0.000 1.207 497 L CA -0.033 54.766 54.840 -0.069 0.000 0.855 497 L CB 0.008 41.884 42.059 -0.305 0.000 1.114 497 L HN 0.511 nan 8.230 nan 0.000 0.485 498 N N 2.242 120.909 118.700 -0.053 0.000 2.589 498 N HA 0.063 4.804 4.740 0.001 0.000 0.232 498 N C 0.296 175.690 175.510 -0.193 0.000 1.015 498 N CA -0.288 52.731 53.050 -0.051 0.000 0.931 498 N CB 0.601 39.075 38.487 -0.023 0.000 1.150 498 N HN 0.477 nan 8.380 nan 0.000 0.512 499 W N 2.779 123.972 121.300 -0.179 0.000 2.402 499 W HA 0.024 4.685 4.660 0.001 0.000 0.286 499 W C 2.126 178.330 176.519 -0.525 0.000 1.221 499 W CA 0.998 58.087 57.345 -0.426 0.000 1.257 499 W CB 0.034 29.285 29.460 -0.347 0.000 1.120 499 W HN 0.713 nan 8.180 nan 0.000 0.551 500 A N 0.772 123.514 122.820 -0.130 0.000 2.014 500 A HA -0.202 4.119 4.320 0.001 0.000 0.218 500 A C 1.869 179.316 177.584 -0.227 0.000 1.163 500 A CA 1.658 53.606 52.037 -0.148 0.000 0.652 500 A CB -0.860 18.096 19.000 -0.073 0.000 0.808 500 A HN 0.525 nan 8.150 nan 0.000 0.449 501 E N 0.881 120.896 120.200 -0.310 0.000 2.268 501 E HA -0.248 4.103 4.350 0.001 0.000 0.195 501 E C 1.862 178.227 176.600 -0.392 0.000 0.995 501 E CA 0.970 57.189 56.400 -0.303 0.000 0.836 501 E CB -0.486 28.994 29.700 -0.368 0.000 0.763 501 E HN 0.765 nan 8.360 nan 0.000 0.491 502 R N 1.200 121.258 120.500 -0.736 0.000 2.293 502 R HA -0.086 4.254 4.340 0.001 0.000 0.219 502 R C 1.304 177.485 176.300 -0.199 0.000 1.091 502 R CA 1.419 57.127 56.100 -0.653 0.000 1.004 502 R CB -0.233 29.348 30.300 -1.198 0.000 0.865 502 R HN 0.255 nan 8.270 nan 0.000 0.469 503 E N 0.726 120.827 120.200 -0.165 0.000 2.427 503 E HA 0.056 4.407 4.350 0.001 0.000 0.196 503 E C 0.532 177.135 176.600 0.005 0.000 1.028 503 E CA 0.610 56.975 56.400 -0.059 0.000 0.864 503 E CB 0.422 30.082 29.700 -0.066 0.000 0.813 503 E HN 0.542 nan 8.360 nan 0.000 0.514 504 G N -0.643 108.180 108.800 0.039 0.000 2.642 504 G HA2 0.510 4.471 3.960 0.001 0.000 0.293 504 G HA3 0.510 4.471 3.960 0.001 0.000 0.293 504 G C 0.156 175.121 174.900 0.108 0.000 1.341 504 G CA -0.289 44.854 45.100 0.071 0.000 0.916 504 G HN 0.174 nan 8.290 nan 0.000 0.474 505 G N 0.250 109.092 108.800 0.070 0.000 2.582 505 G HA2 -0.270 3.691 3.960 0.001 0.000 0.288 505 G HA3 -0.270 3.691 3.960 0.001 0.000 0.288 505 G C 0.912 175.831 174.900 0.032 0.000 1.247 505 G CA 0.655 45.780 45.100 0.041 0.000 0.972 505 G HN 0.695 nan 8.290 nan 0.000 0.557 506 E N 0.392 120.564 120.200 -0.048 0.000 2.347 506 E HA -0.049 4.302 4.350 0.001 0.000 0.196 506 E C 2.102 178.703 176.600 0.002 0.000 1.008 506 E CA 1.150 57.529 56.400 -0.035 0.000 0.852 506 E CB -0.269 29.380 29.700 -0.085 0.000 0.783 506 E HN 0.641 nan 8.360 nan 0.000 0.505 507 H N 0.489 119.634 119.070 0.125 0.000 2.299 507 H HA 0.006 4.562 4.556 0.001 0.000 0.302 507 H C 2.056 177.486 175.328 0.171 0.000 1.078 507 H CA 1.414 57.570 56.048 0.180 0.000 1.323 507 H CB -0.307 29.551 29.762 0.161 0.000 1.381 507 H HN 0.171 nan 8.280 nan 0.000 0.498 508 A N 1.270 124.226 122.820 0.227 0.000 1.902 508 A HA -0.189 4.132 4.320 0.001 0.000 0.217 508 A C 2.517 180.199 177.584 0.163 0.000 1.181 508 A CA 1.511 53.645 52.037 0.162 0.000 0.623 508 A CB -0.521 18.541 19.000 0.105 0.000 0.818 508 A HN 0.268 nan 8.150 nan 0.000 0.443 509 R N -1.046 119.540 120.500 0.144 0.000 2.096 509 R HA -0.103 4.238 4.340 0.001 0.000 0.235 509 R C 2.197 178.603 176.300 0.178 0.000 1.127 509 R CA 1.864 58.045 56.100 0.135 0.000 0.968 509 R CB -0.423 29.944 30.300 0.112 0.000 0.861 509 R HN 0.569 nan 8.270 nan 0.000 0.440 510 T N 1.369 116.057 114.554 0.223 0.000 2.777 510 T HA -0.133 4.218 4.350 0.001 0.000 0.266 510 T C 1.582 176.498 174.700 0.360 0.000 1.040 510 T CA 0.898 63.181 62.100 0.304 0.000 1.141 510 T CB -0.191 68.875 68.868 0.329 0.000 0.868 510 T HN 0.085 nan 8.240 nan 0.000 0.444 511 L N 1.664 123.079 121.223 0.320 0.000 2.046 511 L HA 0.023 4.364 4.340 0.001 0.000 0.208 511 L C 2.486 179.517 176.870 0.269 0.000 1.077 511 L CA 1.699 56.732 54.840 0.322 0.000 0.747 511 L CB -0.691 41.560 42.059 0.319 0.000 0.896 511 L HN 0.104 nan 8.230 nan 0.000 0.432 512 R N -0.982 119.640 120.500 0.205 0.000 2.081 512 R HA -0.195 4.146 4.340 0.001 0.000 0.235 512 R C 2.273 178.657 176.300 0.139 0.000 1.131 512 R CA 1.811 58.001 56.100 0.150 0.000 0.960 512 R CB -0.443 29.926 30.300 0.115 0.000 0.856 512 R HN 0.401 nan 8.270 nan 0.000 0.436 513 L N 0.166 121.482 121.223 0.155 0.000 2.017 513 L HA -0.159 4.182 4.340 0.001 0.000 0.208 513 L C 1.754 178.663 176.870 0.064 0.000 1.073 513 L CA 1.752 56.645 54.840 0.089 0.000 0.745 513 L CB -0.745 41.357 42.059 0.072 0.000 0.894 513 L HN 0.163 nan 8.230 nan 0.000 0.432 514 Y N 0.068 120.399 120.300 0.052 0.000 2.181 514 Y HA -0.215 4.336 4.550 0.001 0.000 0.288 514 Y C 2.763 178.685 175.900 0.037 0.000 1.146 514 Y CA 1.808 59.934 58.100 0.044 0.000 1.164 514 Y CB -0.293 38.219 38.460 0.087 0.000 0.982 514 Y HN 0.159 nan 8.280 nan 0.000 0.515 515 R N -0.182 120.437 120.500 0.198 0.000 2.096 515 R HA -0.168 4.173 4.340 0.001 0.000 0.235 515 R C 1.616 177.950 176.300 0.056 0.000 1.127 515 R CA 1.611 57.775 56.100 0.107 0.000 0.968 515 R CB -0.346 30.011 30.300 0.096 0.000 0.861 515 R HN 0.348 nan 8.270 nan 0.000 0.440 516 D N 0.680 121.107 120.400 0.046 0.000 2.117 516 D HA -0.098 4.543 4.640 0.001 0.000 0.198 516 D C 2.023 178.314 176.300 -0.015 0.000 0.982 516 D CA 0.944 54.953 54.000 0.015 0.000 0.828 516 D CB -0.153 40.655 40.800 0.013 0.000 0.967 516 D HN 0.135 nan 8.370 nan 0.000 0.464 517 L N 0.188 121.382 121.223 -0.049 0.000 2.046 517 L HA -0.140 4.201 4.340 0.001 0.000 0.208 517 L C 2.489 179.326 176.870 -0.054 0.000 1.077 517 L CA 0.754 55.540 54.840 -0.091 0.000 0.747 517 L CB -0.328 41.612 42.059 -0.198 0.000 0.896 517 L HN 0.033 nan 8.230 nan 0.000 0.432 518 L N -0.721 120.490 121.223 -0.020 0.000 2.141 518 L HA -0.165 4.176 4.340 0.001 0.000 0.209 518 L C 2.770 179.643 176.870 0.006 0.000 1.094 518 L CA 0.899 55.741 54.840 0.002 0.000 0.763 518 L CB -0.457 41.623 42.059 0.037 0.000 0.908 518 L HN 0.242 nan 8.230 nan 0.000 0.437 519 R N 0.693 121.197 120.500 0.008 0.000 2.075 519 R HA -0.144 4.197 4.340 0.001 0.000 0.232 519 R C 2.328 178.633 176.300 0.009 0.000 1.126 519 R CA 1.290 57.397 56.100 0.012 0.000 0.963 519 R CB -0.227 30.080 30.300 0.013 0.000 0.858 519 R HN 0.266 nan 8.270 nan 0.000 0.435 520 L N 0.522 121.742 121.223 -0.006 0.000 2.042 520 L HA -0.183 4.158 4.340 0.001 0.000 0.210 520 L C 2.943 179.810 176.870 -0.006 0.000 1.076 520 L CA 1.625 56.456 54.840 -0.015 0.000 0.749 520 L CB -0.415 41.625 42.059 -0.032 0.000 0.893 520 L HN 0.292 nan 8.230 nan 0.000 0.432 521 R N 0.065 120.564 120.500 -0.003 0.000 2.091 521 R HA -0.231 4.110 4.340 0.001 0.000 0.238 521 R C 2.467 178.815 176.300 0.079 0.000 1.136 521 R CA 1.797 57.907 56.100 0.016 0.000 0.959 521 R CB -0.156 30.138 30.300 -0.009 0.000 0.856 521 R HN 0.239 nan 8.270 nan 0.000 0.437 522 R N 0.247 120.785 120.500 0.065 0.000 2.073 522 R HA -0.100 4.241 4.340 0.001 0.000 0.229 522 R C 1.443 177.870 176.300 0.210 0.000 1.120 522 R CA 1.844 57.999 56.100 0.091 0.000 0.967 522 R CB 0.086 30.412 30.300 0.043 0.000 0.862 522 R HN 0.341 nan 8.270 nan 0.000 0.436 523 E N -0.172 120.102 120.200 0.124 0.000 2.307 523 E HA -0.029 4.322 4.350 0.001 0.000 0.195 523 E C -0.224 176.347 176.600 -0.048 0.000 0.975 523 E CA -0.140 56.314 56.400 0.090 0.000 0.878 523 E CB 0.242 29.961 29.700 0.031 0.000 0.845 523 E HN 0.270 nan 8.360 nan 0.000 0.488 524 D N 1.941 122.267 120.400 -0.122 0.000 2.343 524 D HA 0.003 4.644 4.640 0.001 0.000 0.255 524 D C -1.564 174.398 176.300 -0.563 0.000 1.187 524 D CA -1.865 51.997 54.000 -0.230 0.000 0.875 524 D CB 1.488 42.207 40.800 -0.135 0.000 1.136 524 D HN -0.085 nan 8.370 nan 0.000 0.469 525 P HA -0.111 nan 4.420 nan 0.000 0.221 525 P C 1.530 178.611 177.300 -0.365 0.000 1.150 525 P CA 0.393 63.132 63.100 -0.603 0.000 0.800 525 P CB 0.518 32.070 31.700 -0.246 0.000 0.787 526 V N 0.354 120.131 119.914 -0.228 0.000 2.488 526 V HA -0.130 3.991 4.120 0.001 0.000 0.246 526 V C 2.663 178.700 176.094 -0.094 0.000 1.046 526 V CA 1.211 63.436 62.300 -0.125 0.000 1.053 526 V CB -1.127 30.640 31.823 -0.093 0.000 0.679 526 V HN 0.003 nan 8.190 nan 0.000 0.458 527 L N -0.462 120.693 121.223 -0.113 0.000 2.450 527 L HA -0.150 4.191 4.340 0.001 0.000 0.224 527 L C 2.274 179.171 176.870 0.046 0.000 1.149 527 L CA 1.229 56.042 54.840 -0.044 0.000 0.816 527 L CB -0.898 41.136 42.059 -0.041 0.000 0.932 527 L HN 0.495 nan 8.230 nan 0.000 0.449 528 H N -0.657 118.387 119.070 -0.044 0.000 2.518 528 H HA -0.100 4.457 4.556 0.001 0.000 0.289 528 H C 1.052 176.350 175.328 -0.049 0.000 1.051 528 H CA -0.304 55.717 56.048 -0.045 0.000 1.280 528 H CB -0.055 29.684 29.762 -0.038 0.000 1.380 528 H HN 0.331 nan 8.280 nan 0.000 0.566 529 N N 1.349 120.087 118.700 0.064 0.000 2.293 529 N HA -0.132 4.609 4.740 0.001 0.000 0.253 529 N C 0.281 175.784 175.510 -0.012 0.000 1.248 529 N CA 0.389 53.445 53.050 0.010 0.000 0.845 529 N CB 0.524 39.000 38.487 -0.017 0.000 1.073 529 N HN 0.103 nan 8.380 nan 0.000 0.464 530 R N 2.034 122.520 120.500 -0.023 0.000 2.642 530 R HA 0.161 4.502 4.340 0.001 0.000 0.435 530 R C -0.626 175.650 176.300 -0.041 0.000 1.046 530 R CA -0.154 55.921 56.100 -0.040 0.000 1.103 530 R CB 0.161 30.436 30.300 -0.042 0.000 1.425 530 R HN 0.696 nan 8.270 nan 0.000 0.586 531 Q N 0.029 119.806 119.800 -0.039 0.000 2.331 531 Q HA 0.398 4.739 4.340 0.001 0.000 0.267 531 Q C 0.637 176.609 176.000 -0.047 0.000 1.006 531 Q CA -0.414 55.367 55.803 -0.037 0.000 0.818 531 Q CB 2.437 31.156 28.738 -0.030 0.000 1.276 531 Q HN -0.086 nan 8.270 nan 0.000 0.450 532 R N 1.310 121.781 120.500 -0.050 0.000 2.148 532 R HA -0.187 4.154 4.340 0.001 0.000 0.227 532 R C 1.665 177.933 176.300 -0.052 0.000 1.103 532 R CA 1.158 57.218 56.100 -0.066 0.000 0.983 532 R CB 0.173 30.428 30.300 -0.075 0.000 0.874 532 R HN 0.717 nan 8.270 nan 0.000 0.451 533 E N 0.909 121.086 120.200 -0.038 0.000 2.219 533 E HA -0.204 4.147 4.350 0.001 0.000 0.198 533 E C 0.736 177.319 176.600 -0.029 0.000 0.998 533 E CA 1.174 57.557 56.400 -0.030 0.000 0.818 533 E CB 0.115 29.801 29.700 -0.024 0.000 0.741 533 E HN 0.270 nan 8.360 nan 0.000 0.477 534 N N 0.049 118.729 118.700 -0.034 0.000 2.236 534 N HA 0.081 4.822 4.740 0.001 0.000 0.196 534 N C -0.708 174.781 175.510 -0.035 0.000 1.114 534 N CA 0.028 53.057 53.050 -0.035 0.000 0.859 534 N CB 0.606 39.071 38.487 -0.036 0.000 0.982 534 N HN 0.112 nan 8.380 nan 0.000 0.493 535 L N 1.184 122.387 121.223 -0.033 0.000 2.313 535 L HA 0.461 4.802 4.340 0.001 0.000 0.283 535 L C -0.133 176.735 176.870 -0.003 0.000 1.013 535 L CA -0.246 54.578 54.840 -0.025 0.000 0.816 535 L CB 1.406 43.432 42.059 -0.054 0.000 1.236 535 L HN 0.025 nan 8.230 nan 0.000 0.419 536 T N 0.288 114.875 114.554 0.055 0.000 2.916 536 T HA 0.921 5.272 4.350 0.001 0.000 0.292 536 T C -0.268 174.473 174.700 0.068 0.000 1.055 536 T CA -0.301 61.859 62.100 0.099 0.000 1.009 536 T CB 1.833 70.838 68.868 0.227 0.000 1.118 536 T HN 0.724 nan 8.240 nan 0.000 0.497 537 T N -2.036 112.390 114.554 -0.212 0.000 2.883 537 T HA 0.907 5.258 4.350 0.001 0.000 0.301 537 T C -0.071 173.872 174.700 -1.261 0.000 1.158 537 T CA -0.339 61.358 62.100 -0.670 0.000 1.007 537 T CB 1.653 70.329 68.868 -0.319 0.000 1.186 537 T HN 1.484 nan 8.240 nan 0.000 0.499 538 G N 0.322 108.007 108.800 -1.859 0.000 2.490 538 G HA2 0.681 4.642 3.960 0.001 0.000 0.308 538 G HA3 0.681 4.642 3.960 0.001 0.000 0.308 538 G C -1.686 172.728 174.900 -0.810 0.000 1.286 538 G CA -0.468 43.920 45.100 -1.188 0.000 0.825 538 G HN 1.504 nan 8.290 nan 0.000 0.479 539 H N -1.764 117.138 119.070 -0.280 0.000 3.037 539 H HA 0.742 5.299 4.556 0.002 0.000 0.355 539 H C -2.129 173.299 175.328 0.166 0.000 1.263 539 H CA -0.832 55.191 56.048 -0.042 0.000 1.129 539 H CB 2.734 32.460 29.762 -0.061 0.000 1.861 539 H HN 0.507 nan 8.280 nan 0.000 0.546 540 D N 1.665 122.113 120.400 0.080 0.000 2.473 540 D HA 0.394 5.035 4.640 0.001 0.000 0.253 540 D C 1.103 177.460 176.300 0.094 0.000 1.233 540 D CA 0.904 54.908 54.000 0.007 0.000 0.908 540 D CB 0.892 41.722 40.800 0.050 0.000 1.170 540 D HN 1.122 nan 8.370 nan 0.000 0.558 541 G N 4.535 113.415 108.800 0.134 0.000 2.629 541 G HA2 -0.338 3.622 3.960 0.001 0.000 0.313 541 G HA3 -0.338 3.622 3.960 0.001 0.000 0.313 541 G C 0.598 175.579 174.900 0.136 0.000 1.217 541 G CA 0.523 45.702 45.100 0.131 0.000 0.994 541 G HN 0.564 nan 8.290 nan 0.000 0.549 542 D N 0.652 121.084 120.400 0.052 0.000 2.328 542 D HA 0.296 4.937 4.640 0.001 0.000 0.221 542 D C 0.698 176.988 176.300 -0.016 0.000 1.072 542 D CA 0.349 54.343 54.000 -0.010 0.000 0.850 542 D CB 0.548 41.319 40.800 -0.049 0.000 0.922 542 D HN 0.273 nan 8.370 nan 0.000 0.516 543 V N 2.131 122.081 119.914 0.059 0.000 2.383 543 V HA 0.178 4.299 4.120 0.001 0.000 0.275 543 V C 0.081 176.263 176.094 0.148 0.000 1.036 543 V CA -0.881 61.475 62.300 0.093 0.000 0.889 543 V CB 1.670 33.570 31.823 0.129 0.000 0.985 543 V HN -0.017 nan 8.190 nan 0.000 0.459 544 L N 7.298 128.600 121.223 0.133 0.000 2.334 544 L HA 0.618 4.958 4.340 0.001 0.000 0.277 544 L C -0.512 176.516 176.870 0.263 0.000 1.075 544 L CA -0.065 54.857 54.840 0.137 0.000 0.804 544 L CB 0.983 43.126 42.059 0.140 0.000 1.174 544 L HN 0.776 nan 8.230 nan 0.000 0.438 545 W N 4.596 126.004 121.300 0.180 0.000 2.844 545 W HA 0.756 5.417 4.660 0.002 0.000 0.340 545 W C -2.062 174.561 176.519 0.174 0.000 1.093 545 W CA -1.159 56.296 57.345 0.184 0.000 1.212 545 W CB 0.955 30.540 29.460 0.209 0.000 1.422 545 W HN 0.334 nan 8.180 nan 0.000 0.515 546 V N 3.748 123.942 119.914 0.468 0.000 2.525 546 V HA 0.458 4.579 4.120 0.001 0.000 0.299 546 V C -0.275 176.020 176.094 0.334 0.000 1.034 546 V CA -0.799 61.680 62.300 0.299 0.000 0.863 546 V CB 1.609 33.523 31.823 0.152 0.000 0.999 546 V HN 0.654 nan 8.190 nan 0.000 0.423 547 R N 2.528 123.226 120.500 0.329 0.000 2.494 547 R HA 0.729 5.069 4.340 0.001 0.000 0.305 547 R C -0.939 175.364 176.300 0.005 0.000 0.959 547 R CA -0.259 55.896 56.100 0.092 0.000 0.864 547 R CB 1.870 32.087 30.300 -0.138 0.000 1.159 547 R HN 0.723 nan 8.270 nan 0.000 0.446 548 T N 3.312 117.838 114.554 -0.046 0.000 2.807 548 T HA 0.421 4.772 4.350 0.001 0.000 0.279 548 T C -1.110 173.539 174.700 -0.086 0.000 0.993 548 T CA -0.476 61.591 62.100 -0.054 0.000 0.970 548 T CB 1.630 70.474 68.868 -0.041 0.000 0.950 548 T HN 0.259 nan 8.240 nan 0.000 0.441 549 V N 3.990 123.855 119.914 -0.082 0.000 2.525 549 V HA 0.731 4.852 4.120 0.001 0.000 0.299 549 V C 0.273 176.331 176.094 -0.059 0.000 1.034 549 V CA -0.708 61.541 62.300 -0.085 0.000 0.863 549 V CB 1.757 33.518 31.823 -0.103 0.000 0.999 549 V HN 1.133 nan 8.190 nan 0.000 0.423 550 T N 0.853 115.375 114.554 -0.053 0.000 2.716 550 T HA 0.546 4.897 4.350 0.001 0.000 0.286 550 T C 1.237 175.915 174.700 -0.037 0.000 1.052 550 T CA 0.107 62.184 62.100 -0.040 0.000 1.024 550 T CB 1.619 70.467 68.868 -0.033 0.000 1.349 550 T HN 0.670 nan 8.240 nan 0.000 0.525 551 G N -0.332 108.450 108.800 -0.029 0.000 2.498 551 G HA2 0.155 4.116 3.960 0.001 0.000 0.219 551 G HA3 0.155 4.116 3.960 0.001 0.000 0.219 551 G C 1.376 176.258 174.900 -0.029 0.000 1.119 551 G CA 0.685 45.770 45.100 -0.026 0.000 0.766 551 G HN 1.153 nan 8.290 nan 0.000 0.552 552 A N -0.770 122.029 122.820 -0.035 0.000 2.178 552 A HA 0.579 4.900 4.320 0.001 0.000 0.211 552 A C 1.362 178.917 177.584 -0.049 0.000 1.157 552 A CA 1.421 53.432 52.037 -0.043 0.000 0.780 552 A CB -0.150 18.817 19.000 -0.056 0.000 0.828 552 A HN 1.569 nan 8.150 nan 0.000 0.476 553 G N -1.223 107.548 108.800 -0.049 0.000 2.302 553 G HA2 0.278 4.239 3.960 0.001 0.000 0.276 553 G HA3 0.278 4.239 3.960 0.001 0.000 0.276 553 G C -1.086 173.777 174.900 -0.061 0.000 1.316 553 G CA -0.150 44.919 45.100 -0.051 0.000 0.988 553 G HN 0.526 nan 8.290 nan 0.000 0.479 554 E N -0.143 120.019 120.200 -0.063 0.000 2.292 554 E HA 0.676 5.027 4.350 0.001 0.000 0.272 554 E C -0.813 175.747 176.600 -0.066 0.000 0.881 554 E CA -0.969 55.382 56.400 -0.080 0.000 0.754 554 E CB 1.414 31.049 29.700 -0.108 0.000 1.201 554 E HN 0.473 nan 8.360 nan 0.000 0.425 555 R N 1.843 122.303 120.500 -0.066 0.000 2.740 555 R HA 0.630 4.971 4.340 0.001 0.000 0.282 555 R C -1.178 175.109 176.300 -0.020 0.000 0.969 555 R CA -0.983 55.095 56.100 -0.036 0.000 0.918 555 R CB 2.051 32.330 30.300 -0.035 0.000 1.175 555 R HN 0.350 nan 8.270 nan 0.000 0.464 556 V N 2.971 122.902 119.914 0.028 0.000 2.686 556 V HA 0.378 4.499 4.120 0.001 0.000 0.306 556 V C -0.746 175.416 176.094 0.113 0.000 1.065 556 V CA -0.937 61.423 62.300 0.101 0.000 0.894 556 V CB 2.366 34.291 31.823 0.169 0.000 1.004 556 V HN 0.542 nan 8.190 nan 0.000 0.424 557 L N 5.829 127.139 121.223 0.146 0.000 2.275 557 L HA 0.706 5.046 4.340 0.001 0.000 0.288 557 L C -1.026 175.971 176.870 0.211 0.000 1.046 557 L CA 0.159 55.072 54.840 0.122 0.000 0.805 557 L CB 1.078 43.185 42.059 0.080 0.000 1.193 557 L HN 0.560 nan 8.230 nan 0.000 0.426 558 L N 5.227 126.557 121.223 0.179 0.000 2.341 558 L HA 0.501 4.842 4.340 0.001 0.000 0.278 558 L C -1.351 175.676 176.870 0.262 0.000 1.005 558 L CA -0.128 54.857 54.840 0.242 0.000 0.818 558 L CB 1.730 43.902 42.059 0.189 0.000 1.259 558 L HN 0.609 nan 8.230 nan 0.000 0.418 559 W N 3.910 125.252 121.300 0.070 0.000 2.554 559 W HA 0.393 5.054 4.660 0.001 0.000 0.324 559 W C -0.533 176.012 176.519 0.043 0.000 1.018 559 W CA -1.307 56.057 57.345 0.032 0.000 1.243 559 W CB 1.346 30.822 29.460 0.027 0.000 1.345 559 W HN 0.434 nan 8.180 nan 0.000 0.441 560 N N 5.586 124.415 118.700 0.216 0.000 2.482 560 N HA 0.062 4.803 4.740 0.001 0.000 0.242 560 N C 0.497 175.884 175.510 -0.204 0.000 1.100 560 N CA 0.067 53.128 53.050 0.019 0.000 0.946 560 N CB 0.662 39.200 38.487 0.084 0.000 1.227 560 N HN 0.413 nan 8.380 nan 0.000 0.508 561 L N 1.765 122.768 121.223 -0.366 0.000 2.492 561 L HA 0.233 4.574 4.340 0.001 0.000 0.223 561 L C 1.514 178.251 176.870 -0.222 0.000 1.132 561 L CA 0.387 54.944 54.840 -0.472 0.000 0.850 561 L CB -1.571 40.163 42.059 -0.542 0.000 0.966 561 L HN 0.489 nan 8.230 nan 0.000 0.454 562 G N -0.832 107.894 108.800 -0.124 0.000 2.611 562 G HA2 0.140 4.101 3.960 0.001 0.000 0.273 562 G HA3 0.140 4.101 3.960 0.001 0.000 0.273 562 G C 0.635 175.514 174.900 -0.034 0.000 1.305 562 G CA -0.235 44.827 45.100 -0.063 0.000 1.010 562 G HN 0.180 nan 8.290 nan 0.000 0.509 563 Q N -0.467 119.322 119.800 -0.017 0.000 2.319 563 Q HA 0.113 4.454 4.340 0.001 0.000 0.209 563 Q C 0.131 176.140 176.000 0.014 0.000 0.884 563 Q CA 0.251 56.052 55.803 -0.003 0.000 0.938 563 Q CB 0.581 29.313 28.738 -0.010 0.000 1.098 563 Q HN 0.784 nan 8.270 nan 0.000 0.517 564 D N -0.642 119.768 120.400 0.017 0.000 2.506 564 D HA 0.250 4.891 4.640 0.001 0.000 0.254 564 D C -0.358 175.967 176.300 0.042 0.000 1.089 564 D CA -0.648 53.367 54.000 0.027 0.000 1.050 564 D CB 0.522 41.333 40.800 0.019 0.000 1.221 564 D HN -0.348 nan 8.370 nan 0.000 0.589 565 T N 0.571 115.152 114.554 0.046 0.000 2.845 565 T HA 0.486 4.837 4.350 0.001 0.000 0.288 565 T C -0.006 174.724 174.700 0.051 0.000 0.980 565 T CA -0.657 61.478 62.100 0.058 0.000 1.071 565 T CB 0.630 69.533 68.868 0.058 0.000 0.941 565 T HN 0.131 nan 8.240 nan 0.000 0.487 566 R N 1.569 122.105 120.500 0.061 0.000 2.513 566 R HA 0.615 4.956 4.340 0.001 0.000 0.301 566 R C -0.624 175.711 176.300 0.059 0.000 0.968 566 R CA -0.718 55.414 56.100 0.053 0.000 0.872 566 R CB 1.916 32.247 30.300 0.053 0.000 1.177 566 R HN 0.732 nan 8.270 nan 0.000 0.444 567 A N 2.591 125.437 122.820 0.044 0.000 2.363 567 A HA 0.240 4.560 4.320 0.001 0.000 0.270 567 A C 1.385 178.991 177.584 0.036 0.000 1.121 567 A CA -0.487 51.576 52.037 0.042 0.000 0.800 567 A CB 0.577 19.593 19.000 0.027 0.000 1.052 567 A HN 0.546 nan 8.150 nan 0.000 0.493 568 V N 2.901 122.841 119.914 0.044 0.000 2.324 568 V HA -0.344 3.777 4.120 0.001 0.000 0.250 568 V C 2.932 179.026 176.094 -0.001 0.000 1.060 568 V CA 2.707 65.025 62.300 0.031 0.000 1.042 568 V CB -1.278 30.569 31.823 0.041 0.000 0.650 568 V HN 1.016 nan 8.190 nan 0.000 0.450 569 A N -0.412 122.407 122.820 -0.002 0.000 2.024 569 A HA -0.245 4.075 4.320 0.001 0.000 0.220 569 A C 2.020 179.585 177.584 -0.031 0.000 1.164 569 A CA 1.945 53.970 52.037 -0.019 0.000 0.643 569 A CB -0.396 18.598 19.000 -0.010 0.000 0.806 569 A HN 0.700 nan 8.150 nan 0.000 0.451 570 E N -0.661 119.528 120.200 -0.019 0.000 2.474 570 E HA 0.180 4.531 4.350 0.001 0.000 0.195 570 E C -0.563 176.020 176.600 -0.028 0.000 1.039 570 E CA -0.362 56.025 56.400 -0.021 0.000 0.881 570 E CB 0.507 30.203 29.700 -0.006 0.000 0.970 570 E HN 0.321 nan 8.360 nan 0.000 0.486 571 V N 2.645 122.538 119.914 -0.035 0.000 2.508 571 V HA 0.026 4.147 4.120 0.001 0.000 0.281 571 V C 0.345 176.378 176.094 -0.101 0.000 1.041 571 V CA -0.109 62.167 62.300 -0.040 0.000 1.016 571 V CB 0.722 32.535 31.823 -0.015 0.000 0.984 571 V HN 0.090 nan 8.190 nan 0.000 0.478 572 K N 6.158 126.506 120.400 -0.088 0.000 2.349 572 K HA 0.551 4.872 4.320 0.001 0.000 0.289 572 K C -0.850 175.625 176.600 -0.209 0.000 1.064 572 K CA -0.032 56.178 56.287 -0.129 0.000 0.947 572 K CB 0.518 32.970 32.500 -0.080 0.000 1.007 572 K HN 0.501 nan 8.250 nan 0.000 0.478 573 L N 4.531 125.527 121.223 -0.378 0.000 2.388 573 L HA 0.358 4.699 4.340 0.001 0.000 0.264 573 L C -1.598 174.905 176.870 -0.610 0.000 0.998 573 L CA -1.853 52.549 54.840 -0.730 0.000 0.817 573 L CB 2.281 43.556 42.059 -1.306 0.000 1.338 573 L HN 0.522 nan 8.230 nan 0.000 0.414 574 P HA 0.083 nan 4.420 nan 0.000 0.256 574 P C -0.776 176.468 177.300 -0.093 0.000 1.335 574 P CA 0.421 63.414 63.100 -0.177 0.000 0.808 574 P CB -0.285 31.444 31.700 0.049 0.000 1.305 575 F N -3.825 115.993 119.950 -0.221 0.000 2.715 575 F HA 0.586 5.114 4.527 0.001 0.000 0.318 575 F C -0.526 175.170 175.800 -0.173 0.000 1.141 575 F CA -1.402 56.489 58.000 -0.181 0.000 0.950 575 F CB 0.187 39.060 39.000 -0.211 0.000 1.374 575 F HN -0.515 nan 8.300 nan 0.000 0.477 576 T N 2.095 116.698 114.554 0.081 0.000 2.794 576 T HA 0.334 4.685 4.350 0.001 0.000 0.296 576 T C -0.293 174.469 174.700 0.103 0.000 0.949 576 T CA -0.331 61.768 62.100 -0.002 0.000 1.101 576 T CB 1.147 70.027 68.868 0.021 0.000 0.905 576 T HN 0.693 nan 8.240 nan 0.000 0.516 577 V N 6.994 126.884 119.914 -0.040 0.000 2.585 577 V HA 0.174 4.295 4.120 0.001 0.000 0.296 577 V C -1.918 174.216 176.094 0.067 0.000 1.035 577 V CA -1.679 60.647 62.300 0.044 0.000 1.084 577 V CB 0.603 32.392 31.823 -0.057 0.000 0.953 577 V HN 0.716 nan 8.190 nan 0.000 0.483 578 P HA 0.192 nan 4.420 nan 0.000 0.268 578 P C 0.089 177.406 177.300 0.028 0.000 1.208 578 P CA 0.127 63.252 63.100 0.041 0.000 0.777 578 P CB 0.412 32.131 31.700 0.031 0.000 0.875 579 R N 0.573 121.083 120.500 0.016 0.000 2.206 579 R HA 0.109 4.450 4.340 0.001 0.000 0.198 579 R C 1.001 177.310 176.300 0.015 0.000 0.986 579 R CA 0.075 56.183 56.100 0.013 0.000 1.029 579 R CB 0.146 30.450 30.300 0.007 0.000 0.966 579 R HN 0.381 nan 8.270 nan 0.000 0.487 580 R N 2.077 122.584 120.500 0.012 0.000 2.265 580 R HA 0.123 4.463 4.340 0.001 0.000 0.314 580 R C -0.483 175.827 176.300 0.018 0.000 1.053 580 R CA -0.347 55.760 56.100 0.011 0.000 0.931 580 R CB 0.633 30.935 30.300 0.004 0.000 1.024 580 R HN -0.048 nan 8.270 nan 0.000 0.457 581 L N 7.268 128.505 121.223 0.024 0.000 2.418 581 L HA 0.079 4.420 4.340 0.001 0.000 0.274 581 L C -0.004 176.881 176.870 0.024 0.000 1.135 581 L CA 0.592 55.453 54.840 0.035 0.000 0.870 581 L CB 0.735 42.823 42.059 0.048 0.000 1.154 581 L HN 0.957 nan 8.230 nan 0.000 0.462 582 L N 5.919 127.154 121.223 0.020 0.000 2.388 582 L HA 0.276 4.617 4.340 0.001 0.000 0.209 582 L C 0.241 177.118 176.870 0.012 0.000 1.061 582 L CA 0.270 55.114 54.840 0.008 0.000 0.834 582 L CB 0.357 42.412 42.059 -0.007 0.000 1.029 582 L HN 0.532 nan 8.230 nan 0.000 0.473 583 L N -1.049 120.185 121.223 0.018 0.000 2.545 583 L HA 0.471 4.812 4.340 0.001 0.000 0.258 583 L C -1.586 175.313 176.870 0.049 0.000 0.942 583 L CA -0.565 54.288 54.840 0.023 0.000 0.855 583 L CB 2.418 44.468 42.059 -0.016 0.000 1.374 583 L HN -0.090 nan 8.230 nan 0.000 0.411 584 H N 1.731 120.788 119.070 -0.022 0.000 2.589 584 H HA 0.292 4.849 4.556 0.002 0.000 0.351 584 H C 0.150 175.453 175.328 -0.041 0.000 1.074 584 H CA 0.330 56.365 56.048 -0.022 0.000 1.203 584 H CB 2.258 32.013 29.762 -0.011 0.000 1.558 584 H HN 0.851 nan 8.280 nan 0.000 0.522 585 T N 0.872 115.384 114.554 -0.070 0.000 3.007 585 T HA -0.045 4.305 4.350 0.001 0.000 0.270 585 T C 0.640 175.379 174.700 0.065 0.000 1.107 585 T CA 0.839 62.925 62.100 -0.023 0.000 1.118 585 T CB 0.235 69.030 68.868 -0.121 0.000 0.889 585 T HN 0.470 nan 8.240 nan 0.000 0.506 586 E N 0.592 120.952 120.200 0.267 0.000 2.548 586 E HA 0.313 4.664 4.350 0.001 0.000 0.206 586 E C 1.353 177.966 176.600 0.023 0.000 1.005 586 E CA 0.259 56.698 56.400 0.064 0.000 0.951 586 E CB 0.343 29.993 29.700 -0.084 0.000 1.035 586 E HN 0.622 nan 8.360 nan 0.000 0.470 587 G N 2.615 111.461 108.800 0.077 0.000 2.160 587 G HA2 -0.352 3.609 3.960 0.001 0.000 0.251 587 G HA3 -0.352 3.609 3.960 0.001 0.000 0.251 587 G C 0.281 175.093 174.900 -0.147 0.000 1.008 587 G CA 0.249 45.342 45.100 -0.012 0.000 0.724 587 G HN 0.191 nan 8.290 nan 0.000 0.514 588 R N -0.261 119.969 120.500 -0.450 0.000 2.694 588 R HA 0.335 4.676 4.340 0.001 0.000 0.268 588 R C 1.180 177.324 176.300 -0.260 0.000 1.061 588 R CA 0.356 56.172 56.100 -0.473 0.000 1.133 588 R CB 0.546 30.365 30.300 -0.802 0.000 1.020 588 R HN 0.481 nan 8.270 nan 0.000 0.475 589 E N 0.446 120.559 120.200 -0.145 0.000 2.190 589 E HA -0.032 4.319 4.350 0.001 0.000 0.191 589 E C -0.340 176.239 176.600 -0.036 0.000 0.978 589 E CA 0.588 56.950 56.400 -0.063 0.000 0.839 589 E CB 0.319 29.994 29.700 -0.041 0.000 0.787 589 E HN 0.477 nan 8.360 nan 0.000 0.473 590 D N 0.312 120.685 120.400 -0.045 0.000 2.277 590 D HA 0.195 4.835 4.640 0.001 0.000 0.250 590 D C -0.073 176.256 176.300 0.048 0.000 1.032 590 D CA -0.389 53.611 54.000 0.000 0.000 0.947 590 D CB 1.379 42.178 40.800 -0.001 0.000 1.159 590 D HN -0.051 nan 8.370 nan 0.000 0.460 591 L N 1.456 122.719 121.223 0.067 0.000 2.391 591 L HA 0.174 4.515 4.340 0.001 0.000 0.249 591 L C 0.023 176.956 176.870 0.105 0.000 1.308 591 L CA 0.400 55.302 54.840 0.104 0.000 1.209 591 L CB -0.580 41.520 42.059 0.068 0.000 1.401 591 L HN 0.089 nan 8.230 nan 0.000 0.416 592 T N 2.176 116.821 114.554 0.153 0.000 2.937 592 T HA 0.448 4.799 4.350 0.001 0.000 0.297 592 T C -0.237 174.602 174.700 0.232 0.000 0.991 592 T CA -0.393 61.790 62.100 0.138 0.000 0.990 592 T CB 1.561 70.477 68.868 0.081 0.000 0.991 592 T HN 0.152 nan 8.240 nan 0.000 0.440 593 L N 3.313 124.640 121.223 0.174 0.000 2.264 593 L HA 0.543 4.884 4.340 0.001 0.000 0.287 593 L C 1.303 178.265 176.870 0.153 0.000 1.039 593 L CA -0.786 54.161 54.840 0.178 0.000 0.829 593 L CB 0.866 42.997 42.059 0.120 0.000 1.211 593 L HN 0.741 nan 8.230 nan 0.000 0.427 594 G N 2.191 111.099 108.800 0.180 0.000 2.699 594 G HA2 0.339 4.300 3.960 0.001 0.000 0.246 594 G HA3 0.339 4.300 3.960 0.001 0.000 0.246 594 G C 0.330 175.329 174.900 0.164 0.000 1.219 594 G CA -0.275 44.923 45.100 0.164 0.000 0.866 594 G HN 0.790 nan 8.290 nan 0.000 0.572 595 A N -0.550 122.357 122.820 0.143 0.000 2.573 595 A HA 0.477 4.798 4.320 0.001 0.000 0.250 595 A C 1.735 179.428 177.584 0.182 0.000 1.049 595 A CA 1.399 53.508 52.037 0.119 0.000 0.767 595 A CB -0.740 18.310 19.000 0.084 0.000 0.965 595 A HN 2.653 nan 8.150 nan 0.000 0.514 596 G N 1.978 110.870 108.800 0.154 0.000 2.176 596 G HA2 -0.220 3.741 3.960 0.001 0.000 0.253 596 G HA3 -0.220 3.741 3.960 0.001 0.000 0.253 596 G C 0.039 175.213 174.900 0.456 0.000 0.979 596 G CA 0.554 45.812 45.100 0.264 0.000 0.641 596 G HN 0.892 nan 8.290 nan 0.000 0.530 597 E N 0.311 120.699 120.200 0.312 0.000 2.318 597 E HA 0.665 5.016 4.350 0.001 0.000 0.265 597 E C 0.372 177.097 176.600 0.208 0.000 1.069 597 E CA 0.079 56.600 56.400 0.203 0.000 0.893 597 E CB 1.428 31.203 29.700 0.125 0.000 1.076 597 E HN 0.766 nan 8.360 nan 0.000 0.414 598 A N 1.409 124.194 122.820 -0.058 0.000 2.469 598 A HA 0.704 5.025 4.320 0.001 0.000 0.299 598 A C -1.365 176.035 177.584 -0.306 0.000 1.098 598 A CA -0.659 51.314 52.037 -0.107 0.000 0.737 598 A CB 2.061 20.919 19.000 -0.236 0.000 1.312 598 A HN 0.353 nan 8.150 nan 0.000 0.414 599 V N 1.224 121.031 119.914 -0.178 0.000 2.888 599 V HA 0.690 4.811 4.120 0.001 0.000 0.309 599 V C -1.819 174.245 176.094 -0.051 0.000 1.114 599 V CA -0.634 61.565 62.300 -0.169 0.000 0.940 599 V CB 1.878 33.620 31.823 -0.134 0.000 1.021 599 V HN 1.094 nan 8.190 nan 0.000 0.426 600 L N 7.332 128.533 121.223 -0.037 0.000 2.296 600 L HA 0.852 5.192 4.340 0.001 0.000 0.286 600 L C -0.478 176.397 176.870 0.009 0.000 1.023 600 L CA -0.010 54.824 54.840 -0.009 0.000 0.812 600 L CB 1.657 43.699 42.059 -0.029 0.000 1.223 600 L HN 0.695 nan 8.230 nan 0.000 0.421 601 V N 1.980 121.909 119.914 0.024 0.000 2.960 601 V HA 1.114 5.235 4.120 0.001 0.000 0.315 601 V C -0.056 176.046 176.094 0.014 0.000 1.087 601 V CA 0.059 62.374 62.300 0.025 0.000 0.982 601 V CB 1.232 33.079 31.823 0.039 0.000 1.039 601 V HN 0.920 nan 8.190 nan 0.000 0.437 602 G N 0.000 108.804 108.800 0.007 0.000 5.446 602 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 602 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 602 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 602 G HN 0.000 nan 8.290 nan 0.000 0.925