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 2bxz_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 0.000 174.635 174.600 0.059 0.000 1.055 14 S CA 0.000 58.225 58.200 0.042 0.000 1.107 14 S CB 0.000 63.213 63.200 0.021 0.000 0.593 15 F N 4.288 124.239 119.950 0.002 0.000 2.602 15 F HA 0.435 4.963 4.527 0.001 0.000 0.385 15 F C 0.349 176.159 175.800 0.015 0.000 1.063 15 F CA 0.663 58.670 58.000 0.013 0.000 1.233 15 F CB 0.472 39.488 39.000 0.027 0.000 1.067 15 F HN 0.298 nan 8.300 nan 0.000 0.564 16 Q N 4.787 124.066 119.800 -0.868 0.000 2.322 16 Q HA 0.191 4.532 4.340 0.002 0.000 0.265 16 Q C 0.038 175.415 176.000 -1.038 0.000 0.985 16 Q CA -0.924 54.483 55.803 -0.661 0.000 0.849 16 Q CB 1.756 30.280 28.738 -0.357 0.000 1.274 16 Q HN 0.769 nan 8.270 nan 0.000 0.449 17 T N 1.180 115.439 114.554 -0.491 0.000 2.939 17 T HA -0.091 4.260 4.350 0.002 0.000 0.319 17 T C 0.864 175.445 174.700 -0.199 0.000 1.082 17 T CA 0.677 62.680 62.100 -0.161 0.000 1.133 17 T CB 0.534 69.494 68.868 0.153 0.000 1.019 17 T HN 0.603 nan 8.240 nan 0.000 0.548 18 Q N 1.576 121.290 119.800 -0.142 0.000 2.403 18 Q HA 0.062 4.403 4.340 0.002 0.000 0.203 18 Q C 0.014 175.818 176.000 -0.327 0.000 0.932 18 Q CA 0.312 55.963 55.803 -0.254 0.000 0.945 18 Q CB 0.202 28.771 28.738 -0.282 0.000 1.045 18 Q HN 0.635 nan 8.270 nan 0.000 0.511 19 H N 0.249 119.322 119.070 0.006 0.000 2.457 19 H HA 0.290 4.847 4.556 0.002 0.000 0.335 19 H C -0.940 174.392 175.328 0.006 0.000 1.115 19 H CA -0.288 55.774 56.048 0.022 0.000 1.219 19 H CB 1.531 31.328 29.762 0.058 0.000 1.471 19 H HN -0.017 nan 8.280 nan 0.000 0.491 20 D N 3.726 124.192 120.400 0.109 0.000 2.788 20 D HA 0.207 4.848 4.640 0.002 0.000 0.247 20 D C -2.123 174.212 176.300 0.060 0.000 1.236 20 D CA -2.259 51.775 54.000 0.057 0.000 0.898 20 D CB 2.466 43.272 40.800 0.010 0.000 1.401 20 D HN 0.100 nan 8.370 nan 0.000 0.549 21 P HA -0.067 nan 4.420 nan 0.000 0.219 21 P C 0.903 178.215 177.300 0.020 0.000 1.146 21 P CA 0.986 64.113 63.100 0.045 0.000 0.808 21 P CB 0.293 32.019 31.700 0.043 0.000 0.779 22 R N -1.009 119.498 120.500 0.012 0.000 2.280 22 R HA 0.032 4.373 4.340 0.002 0.000 0.207 22 R C 1.243 177.539 176.300 -0.007 0.000 1.043 22 R CA 1.546 57.645 56.100 -0.002 0.000 1.006 22 R CB -0.655 29.642 30.300 -0.004 0.000 0.885 22 R HN 0.308 nan 8.270 nan 0.000 0.467 23 T N -2.763 111.790 114.554 -0.002 0.000 3.200 23 T HA 0.185 4.536 4.350 0.002 0.000 0.284 23 T C 0.353 175.046 174.700 -0.011 0.000 1.009 23 T CA -0.620 61.474 62.100 -0.009 0.000 0.907 23 T CB 0.178 69.037 68.868 -0.015 0.000 1.120 23 T HN -0.005 nan 8.240 nan 0.000 0.534 24 R N 1.730 122.227 120.500 -0.005 0.000 2.489 24 R HA 0.351 4.692 4.340 0.002 0.000 0.287 24 R C -0.232 176.008 176.300 -0.099 0.000 1.053 24 R CA -0.402 55.689 56.100 -0.014 0.000 1.036 24 R CB 0.221 30.529 30.300 0.013 0.000 0.966 24 R HN 0.396 nan 8.270 nan 0.000 0.432 25 L N 4.361 125.442 121.223 -0.236 0.000 2.439 25 L HA 0.309 4.650 4.340 0.002 0.000 0.269 25 L C 1.208 177.875 176.870 -0.339 0.000 1.179 25 L CA 0.877 55.454 54.840 -0.439 0.000 0.828 25 L CB 0.896 42.355 42.059 -1.000 0.000 1.106 25 L HN 1.099 nan 8.230 nan 0.000 0.467 26 G N 1.730 110.483 108.800 -0.077 0.000 2.445 26 G HA2 0.049 4.010 3.960 0.002 0.000 0.212 26 G HA3 0.049 4.010 3.960 0.002 0.000 0.212 26 G C -1.007 173.987 174.900 0.158 0.000 1.217 26 G CA -0.255 44.978 45.100 0.221 0.000 1.002 26 G HN 0.997 nan 8.290 nan 0.000 0.574 27 A N -0.322 122.515 122.820 0.029 0.000 2.291 27 A HA 0.832 5.153 4.320 0.002 0.000 0.311 27 A C -0.050 177.365 177.584 -0.283 0.000 1.224 27 A CA 0.645 52.457 52.037 -0.375 0.000 0.821 27 A CB 1.255 19.854 19.000 -0.667 0.000 1.172 27 A HN 1.514 nan 8.150 nan 0.000 0.494 28 T N 4.809 119.167 114.554 -0.327 0.000 2.841 28 T HA 0.530 4.881 4.350 0.002 0.000 0.285 28 T C -2.893 171.672 174.700 -0.225 0.000 0.991 28 T CA -1.085 60.898 62.100 -0.195 0.000 0.966 28 T CB 1.545 70.353 68.868 -0.101 0.000 0.962 28 T HN 0.380 nan 8.240 nan 0.000 0.438 29 P HA 0.151 nan 4.420 nan 0.000 0.264 29 P C -0.428 176.810 177.300 -0.104 0.000 1.193 29 P CA -0.179 62.833 63.100 -0.148 0.000 0.763 29 P CB 0.410 32.042 31.700 -0.113 0.000 0.810 30 L N 5.656 126.820 121.223 -0.099 0.000 2.418 30 L HA 0.397 4.738 4.340 0.002 0.000 0.265 30 L C -1.581 175.265 176.870 -0.040 0.000 1.143 30 L CA -1.987 52.814 54.840 -0.065 0.000 0.809 30 L CB 0.105 42.126 42.059 -0.062 0.000 1.124 30 L HN 0.296 nan 8.230 nan 0.000 0.456 31 P HA 0.123 nan 4.420 nan 0.000 0.272 31 P C 0.477 177.769 177.300 -0.014 0.000 1.240 31 P CA -0.005 63.087 63.100 -0.013 0.000 0.791 31 P CB 0.637 32.333 31.700 -0.006 0.000 0.978 32 G N 0.060 108.855 108.800 -0.008 0.000 2.179 32 G HA2 -0.098 3.863 3.960 0.002 0.000 0.257 32 G HA3 -0.098 3.863 3.960 0.002 0.000 0.257 32 G C 0.821 175.715 174.900 -0.010 0.000 1.010 32 G CA 0.613 45.709 45.100 -0.007 0.000 0.736 32 G HN 1.121 nan 8.290 nan 0.000 0.513 33 G N -1.367 107.424 108.800 -0.015 0.000 2.225 33 G HA2 0.073 4.034 3.960 0.002 0.000 0.267 33 G HA3 0.073 4.034 3.960 0.002 0.000 0.267 33 G C 1.310 176.200 174.900 -0.018 0.000 1.024 33 G CA 1.254 46.343 45.100 -0.017 0.000 0.784 33 G HN 2.138 nan 8.290 nan 0.000 0.507 34 A N -1.293 121.514 122.820 -0.022 0.000 2.167 34 A HA 0.584 4.905 4.320 0.002 0.000 0.214 34 A C 2.307 179.874 177.584 -0.028 0.000 1.151 34 A CA 2.030 54.055 52.037 -0.020 0.000 0.735 34 A CB -0.124 18.864 19.000 -0.020 0.000 0.802 34 A HN 2.596 nan 8.150 nan 0.000 0.467 35 G N -2.242 106.532 108.800 -0.043 0.000 2.348 35 G HA2 0.132 4.093 3.960 0.002 0.000 0.199 35 G HA3 0.132 4.093 3.960 0.002 0.000 0.199 35 G C -0.298 174.534 174.900 -0.113 0.000 1.235 35 G CA -0.137 44.930 45.100 -0.055 0.000 1.264 35 G HN 0.702 nan 8.290 nan 0.000 0.543 36 T N 0.589 115.044 114.554 -0.165 0.000 2.893 36 T HA 0.653 5.004 4.350 0.002 0.000 0.293 36 T C -0.279 174.169 174.700 -0.421 0.000 1.027 36 T CA -0.500 61.377 62.100 -0.371 0.000 0.988 36 T CB 2.073 70.576 68.868 -0.609 0.000 1.043 36 T HN 0.701 nan 8.240 nan 0.000 0.461 37 R N 2.339 122.592 120.500 -0.410 0.000 2.255 37 R HA 0.529 4.870 4.340 0.002 0.000 0.326 37 R C -1.362 174.681 176.300 -0.428 0.000 0.986 37 R CA -0.479 55.458 56.100 -0.272 0.000 0.847 37 R CB 0.331 30.552 30.300 -0.132 0.000 1.111 37 R HN 0.452 nan 8.270 nan 0.000 0.452 38 F N 3.580 123.527 119.950 -0.006 0.000 2.420 38 F HA 0.519 5.047 4.527 0.002 0.000 0.342 38 F C 0.466 176.325 175.800 0.098 0.000 1.113 38 F CA -0.482 57.566 58.000 0.080 0.000 1.059 38 F CB 1.561 40.664 39.000 0.172 0.000 1.128 38 F HN 0.323 nan 8.300 nan 0.000 0.475 39 R N 3.212 123.847 120.500 0.224 0.000 2.725 39 R HA 0.848 5.189 4.340 0.002 0.000 0.277 39 R C -1.700 174.566 176.300 -0.056 0.000 0.987 39 R CA -1.113 55.030 56.100 0.072 0.000 0.901 39 R CB 2.588 32.894 30.300 0.010 0.000 1.207 39 R HN 0.600 nan 8.270 nan 0.000 0.463 40 L N -1.692 119.479 121.223 -0.087 0.000 2.568 40 L HA 0.729 5.070 4.340 0.002 0.000 0.257 40 L C -1.738 175.200 176.870 0.113 0.000 1.024 40 L CA -0.816 53.948 54.840 -0.127 0.000 0.854 40 L CB 1.291 43.113 42.059 -0.395 0.000 1.460 40 L HN 0.689 nan 8.230 nan 0.000 0.409 41 W N 0.872 122.137 121.300 -0.059 0.000 2.532 41 W HA 0.796 5.457 4.660 0.001 0.000 0.321 41 W C -1.159 175.413 176.519 0.089 0.000 1.037 41 W CA -0.386 56.922 57.345 -0.061 0.000 1.220 41 W CB 1.868 31.091 29.460 -0.394 0.000 1.361 41 W HN 0.909 nan 8.180 nan 0.000 0.468 42 T N 3.409 117.707 114.554 -0.426 0.000 2.916 42 T HA 0.325 4.676 4.350 0.002 0.000 0.298 42 T C 0.623 174.932 174.700 -0.651 0.000 1.031 42 T CA 0.045 61.807 62.100 -0.562 0.000 0.993 42 T CB 1.288 70.015 68.868 -0.234 0.000 1.045 42 T HN 0.479 nan 8.240 nan 0.000 0.454 43 S N 1.991 117.250 115.700 -0.734 0.000 2.524 43 S HA 0.076 4.547 4.470 0.002 0.000 0.216 43 S C 1.483 175.969 174.600 -0.189 0.000 0.987 43 S CA 0.825 58.786 58.200 -0.397 0.000 0.909 43 S CB -0.151 62.824 63.200 -0.375 0.000 0.781 43 S HN 0.885 nan 8.310 nan 0.000 0.521 44 T N -1.905 112.532 114.554 -0.196 0.000 2.966 44 T HA 0.570 4.921 4.350 0.002 0.000 0.254 44 T C 0.651 175.279 174.700 -0.120 0.000 0.961 44 T CA 0.298 62.322 62.100 -0.126 0.000 0.915 44 T CB -0.218 68.580 68.868 -0.117 0.000 1.186 44 T HN 0.469 nan 8.240 nan 0.000 0.505 45 A N 1.775 124.495 122.820 -0.167 0.000 2.462 45 A HA 0.525 4.846 4.320 0.002 0.000 0.243 45 A C 1.274 178.780 177.584 -0.130 0.000 1.076 45 A CA -0.420 51.508 52.037 -0.182 0.000 0.773 45 A CB 0.299 19.128 19.000 -0.284 0.000 1.010 45 A HN 0.459 nan 8.150 nan 0.000 0.493 46 R N 0.189 120.626 120.500 -0.104 0.000 2.175 46 R HA 0.067 4.408 4.340 0.002 0.000 0.202 46 R C 0.193 176.456 176.300 -0.063 0.000 1.018 46 R CA 1.252 57.319 56.100 -0.054 0.000 1.029 46 R CB 0.153 30.430 30.300 -0.039 0.000 0.959 46 R HN 0.853 nan 8.270 nan 0.000 0.480 47 T N -1.420 113.069 114.554 -0.108 0.000 2.841 47 T HA 0.617 4.968 4.350 0.002 0.000 0.283 47 T C -0.480 174.101 174.700 -0.198 0.000 1.000 47 T CA -0.714 61.320 62.100 -0.111 0.000 0.977 47 T CB 2.399 71.225 68.868 -0.070 0.000 0.979 47 T HN -0.211 nan 8.240 nan 0.000 0.446 48 V N 1.581 121.364 119.914 -0.219 0.000 2.668 48 V HA 0.867 4.988 4.120 0.002 0.000 0.304 48 V C -0.146 175.887 176.094 -0.103 0.000 1.071 48 V CA -0.718 61.403 62.300 -0.298 0.000 0.894 48 V CB 1.216 32.551 31.823 -0.813 0.000 1.008 48 V HN 1.438 nan 8.190 nan 0.000 0.425 49 A N 3.527 126.335 122.820 -0.020 0.000 2.556 49 A HA 0.932 5.253 4.320 0.002 0.000 0.294 49 A C -1.427 176.263 177.584 0.177 0.000 1.091 49 A CA -0.727 51.349 52.037 0.065 0.000 0.704 49 A CB 2.290 21.305 19.000 0.027 0.000 1.300 49 A HN 1.041 nan 8.150 nan 0.000 0.406 50 V N 1.076 121.087 119.914 0.162 0.000 2.459 50 V HA 0.643 4.764 4.120 0.002 0.000 0.295 50 V C -0.047 176.045 176.094 -0.004 0.000 1.029 50 V CA -0.718 61.636 62.300 0.090 0.000 0.874 50 V CB 1.399 33.146 31.823 -0.128 0.000 0.985 50 V HN 0.870 nan 8.190 nan 0.000 0.438 51 R N 5.133 125.601 120.500 -0.054 0.000 2.215 51 R HA 0.626 4.967 4.340 0.002 0.000 0.337 51 R C -1.571 174.700 176.300 -0.047 0.000 1.010 51 R CA -0.366 55.710 56.100 -0.039 0.000 0.871 51 R CB 1.288 31.558 30.300 -0.051 0.000 1.134 51 R HN 0.620 nan 8.270 nan 0.000 0.477 52 V N 5.569 125.487 119.914 0.007 0.000 2.384 52 V HA 0.175 4.297 4.120 0.002 0.000 0.287 52 V C 0.020 176.152 176.094 0.063 0.000 1.020 52 V CA -0.964 61.347 62.300 0.019 0.000 0.850 52 V CB 1.507 33.305 31.823 -0.042 0.000 0.987 52 V HN 0.945 nan 8.190 nan 0.000 0.436 53 N N 4.073 122.808 118.700 0.058 0.000 2.721 53 N HA -0.229 4.512 4.740 0.002 0.000 0.249 53 N C 1.198 176.723 175.510 0.025 0.000 1.072 53 N CA 1.560 54.638 53.050 0.047 0.000 0.710 53 N CB -1.099 37.423 38.487 0.060 0.000 0.993 53 N HN 1.531 nan 8.380 nan 0.000 0.547 54 G N -2.773 106.031 108.800 0.006 0.000 2.199 54 G HA2 -0.301 3.660 3.960 0.002 0.000 0.254 54 G HA3 -0.301 3.660 3.960 0.002 0.000 0.254 54 G C 0.154 175.037 174.900 -0.029 0.000 0.982 54 G CA 0.635 45.727 45.100 -0.014 0.000 0.632 54 G HN 0.519 nan 8.290 nan 0.000 0.529 55 T N 1.660 116.201 114.554 -0.022 0.000 2.771 55 T HA 0.531 4.882 4.350 0.002 0.000 0.281 55 T C -0.196 174.402 174.700 -0.169 0.000 0.982 55 T CA -0.391 61.650 62.100 -0.098 0.000 0.978 55 T CB 1.776 70.596 68.868 -0.079 0.000 0.930 55 T HN 0.329 nan 8.240 nan 0.000 0.447 56 E N 2.871 122.934 120.200 -0.228 0.000 2.259 56 E HA 0.218 4.569 4.350 0.002 0.000 0.281 56 E C -0.380 176.016 176.600 -0.341 0.000 1.027 56 E CA -0.558 55.735 56.400 -0.179 0.000 0.838 56 E CB 0.719 30.359 29.700 -0.101 0.000 1.066 56 E HN 0.592 nan 8.360 nan 0.000 0.401 57 H N 1.590 120.641 119.070 -0.032 0.000 2.609 57 H HA 0.202 4.759 4.556 0.002 0.000 0.344 57 H C 0.103 175.436 175.328 0.007 0.000 1.040 57 H CA -0.636 55.404 56.048 -0.013 0.000 1.216 57 H CB 1.341 31.090 29.762 -0.021 0.000 1.529 57 H HN 0.235 nan 8.280 nan 0.000 0.519 61 S N 2.396 118.018 115.700 -0.131 0.000 2.474 61 S HA 0.430 4.901 4.470 0.002 0.000 0.276 61 S C 0.964 175.375 174.600 -0.316 0.000 1.227 61 S CA -0.666 57.209 58.200 -0.541 0.000 1.050 61 S CB -0.047 62.941 63.200 -0.353 0.000 0.939 61 S HN 0.599 nan 8.310 nan 0.000 0.490 62 L N 4.718 125.739 121.223 -0.336 0.000 2.616 62 L HA 0.397 4.738 4.340 0.002 0.000 0.229 62 L C 1.197 177.992 176.870 -0.126 0.000 1.110 62 L CA 0.231 54.972 54.840 -0.165 0.000 0.884 62 L CB -0.545 41.447 42.059 -0.113 0.000 1.115 62 L HN 0.950 nan 8.230 nan 0.000 0.481 63 G N -0.810 107.894 108.800 -0.160 0.000 2.663 63 G HA2 0.136 4.097 3.960 0.002 0.000 0.686 63 G HA3 0.136 4.097 3.960 0.002 0.000 0.686 63 G C 0.493 175.383 174.900 -0.017 0.000 1.246 63 G CA -0.488 44.568 45.100 -0.073 0.000 0.795 63 G HN 0.437 nan 8.290 nan 0.000 0.627 64 G N -0.816 108.010 108.800 0.042 0.000 2.203 64 G HA2 0.334 4.295 3.960 0.002 0.000 0.263 64 G HA3 0.334 4.295 3.960 0.002 0.000 0.263 64 G C 2.155 177.223 174.900 0.279 0.000 1.012 64 G CA 1.167 46.346 45.100 0.132 0.000 0.749 64 G HN 3.115 nan 8.290 nan 0.000 0.512 65 G N -1.645 107.269 108.800 0.191 0.000 2.168 65 G HA2 -0.250 3.711 3.960 0.002 0.000 0.263 65 G HA3 -0.250 3.711 3.960 0.002 0.000 0.263 65 G C 0.380 175.466 174.900 0.310 0.000 0.977 65 G CA 0.469 45.722 45.100 0.255 0.000 0.659 65 G HN 1.182 nan 8.290 nan 0.000 0.533 66 I N 0.327 120.978 120.570 0.135 0.000 2.474 66 I HA 0.471 4.642 4.170 0.002 0.000 0.287 66 I C 0.243 176.243 176.117 -0.195 0.000 1.048 66 I CA -0.800 60.557 61.300 0.095 0.000 1.383 66 I CB 0.347 38.377 38.000 0.050 0.000 1.412 66 I HN 0.077 nan 8.210 nan 0.000 0.531 67 Y N 3.780 124.098 120.300 0.030 0.000 2.462 67 Y HA 0.517 5.068 4.550 0.002 0.000 0.346 67 Y C 0.196 176.105 175.900 0.016 0.000 0.976 67 Y CA -0.675 57.431 58.100 0.011 0.000 1.044 67 Y CB 2.199 40.648 38.460 -0.017 0.000 1.230 67 Y HN 0.537 nan 8.280 nan 0.000 0.455 68 E N 2.399 122.694 120.200 0.159 0.000 2.383 68 E HA 0.722 5.073 4.350 0.002 0.000 0.275 68 E C -2.303 174.394 176.600 0.161 0.000 0.918 68 E CA -0.911 55.572 56.400 0.138 0.000 0.764 68 E CB 2.575 32.317 29.700 0.069 0.000 1.252 68 E HN 0.558 nan 8.360 nan 0.000 0.449 69 L N 2.074 123.416 121.223 0.198 0.000 2.549 69 L HA 0.386 4.727 4.340 0.002 0.000 0.259 69 L C -1.782 175.214 176.870 0.209 0.000 0.934 69 L CA -0.100 54.849 54.840 0.182 0.000 0.865 69 L CB 2.169 44.336 42.059 0.180 0.000 1.352 69 L HN 0.593 nan 8.230 nan 0.000 0.410 70 E N 4.803 125.072 120.200 0.116 0.000 2.179 70 E HA 0.745 5.096 4.350 0.002 0.000 0.275 70 E C -1.368 175.271 176.600 0.065 0.000 0.945 70 E CA -0.561 55.885 56.400 0.077 0.000 0.792 70 E CB 2.081 31.794 29.700 0.022 0.000 1.125 70 E HN 0.437 nan 8.360 nan 0.000 0.397 71 L N 3.246 124.516 121.223 0.078 0.000 2.409 71 L HA 0.368 4.709 4.340 0.002 0.000 0.262 71 L C -2.244 174.638 176.870 0.019 0.000 0.992 71 L CA -2.253 52.601 54.840 0.023 0.000 0.817 71 L CB 2.464 44.513 42.059 -0.016 0.000 1.350 71 L HN 0.347 nan 8.230 nan 0.000 0.411 72 P HA -0.009 nan 4.420 nan 0.000 0.269 72 P C -0.199 177.107 177.300 0.010 0.000 1.461 72 P CA 0.119 63.220 63.100 0.001 0.000 0.809 72 P CB -0.319 31.383 31.700 0.004 0.000 1.503 73 V N -3.044 116.887 119.914 0.028 0.000 2.686 73 V HA 0.811 4.932 4.120 0.002 0.000 0.295 73 V C 0.586 176.683 176.094 0.004 0.000 1.057 73 V CA -0.503 61.821 62.300 0.040 0.000 1.012 73 V CB 1.096 32.977 31.823 0.096 0.000 1.006 73 V HN 0.138 nan 8.190 nan 0.000 0.477 74 G N 2.532 111.334 108.800 0.003 0.000 2.887 74 G HA2 0.711 4.672 3.960 0.002 0.000 0.277 74 G HA3 0.711 4.672 3.960 0.002 0.000 0.277 74 G C -3.005 171.883 174.900 -0.020 0.000 1.346 74 G CA -1.929 43.156 45.100 -0.024 0.000 1.058 74 G HN 0.696 nan 8.290 nan 0.000 0.535 75 P HA 0.213 nan 4.420 nan 0.000 0.264 75 P C 0.885 178.188 177.300 0.004 0.000 1.183 75 P CA 1.710 64.789 63.100 -0.035 0.000 0.763 75 P CB 0.936 32.599 31.700 -0.061 0.000 0.807 76 G N 1.584 110.406 108.800 0.036 0.000 2.258 76 G HA2 -0.186 3.775 3.960 0.002 0.000 0.233 76 G HA3 -0.186 3.775 3.960 0.002 0.000 0.233 76 G C 0.475 175.431 174.900 0.094 0.000 1.006 76 G CA -0.019 45.120 45.100 0.065 0.000 0.620 76 G HN 0.848 nan 8.290 nan 0.000 0.511 77 A N 0.938 123.819 122.820 0.102 0.000 2.520 77 A HA 0.577 4.898 4.320 0.002 0.000 0.235 77 A C 0.690 178.402 177.584 0.213 0.000 1.065 77 A CA 0.510 52.631 52.037 0.140 0.000 0.764 77 A CB 0.231 19.323 19.000 0.153 0.000 1.002 77 A HN 0.430 nan 8.150 nan 0.000 0.502 78 R N 0.657 121.266 120.500 0.181 0.000 2.460 78 R HA 0.579 4.920 4.340 0.002 0.000 0.303 78 R C -1.144 175.264 176.300 0.180 0.000 0.968 78 R CA -0.213 55.979 56.100 0.153 0.000 0.889 78 R CB 1.092 31.424 30.300 0.053 0.000 1.123 78 R HN 0.861 nan 8.270 nan 0.000 0.455 79 Y N 0.079 120.344 120.300 -0.058 0.000 2.624 79 Y HA 0.696 5.247 4.550 0.002 0.000 0.334 79 Y C -1.600 174.157 175.900 -0.239 0.000 1.155 79 Y CA -1.458 56.540 58.100 -0.170 0.000 1.046 79 Y CB 1.057 39.386 38.460 -0.218 0.000 1.316 79 Y HN 0.367 nan 8.280 nan 0.000 0.457 80 L N -0.818 120.185 121.223 -0.366 0.000 2.654 80 L HA 0.791 5.132 4.340 0.002 0.000 0.257 80 L C -1.823 174.834 176.870 -0.355 0.000 1.093 80 L CA -1.494 53.070 54.840 -0.460 0.000 0.903 80 L CB 0.793 42.674 42.059 -0.297 0.000 1.520 80 L HN 0.601 nan 8.230 nan 0.000 0.402 81 F N -0.274 119.722 119.950 0.077 0.000 2.440 81 F HA 0.828 5.356 4.527 0.002 0.000 0.328 81 F C 0.042 175.819 175.800 -0.038 0.000 1.070 81 F CA -0.943 57.102 58.000 0.075 0.000 1.011 81 F CB 2.130 41.257 39.000 0.212 0.000 1.226 81 F HN 0.225 nan 8.300 nan 0.000 0.491 82 V N 3.765 123.775 119.914 0.161 0.000 2.376 82 V HA 0.397 4.518 4.120 0.002 0.000 0.287 82 V C -0.586 175.470 176.094 -0.063 0.000 1.015 82 V CA -0.683 61.621 62.300 0.006 0.000 0.834 82 V CB 1.362 33.179 31.823 -0.010 0.000 1.001 82 V HN 0.485 nan 8.190 nan 0.000 0.428 83 L N 4.107 125.251 121.223 -0.132 0.000 2.298 83 L HA 0.572 4.913 4.340 0.002 0.000 0.284 83 L C 0.108 176.884 176.870 -0.157 0.000 1.013 83 L CA -0.644 54.074 54.840 -0.204 0.000 0.824 83 L CB 1.344 43.210 42.059 -0.321 0.000 1.221 83 L HN 0.596 nan 8.230 nan 0.000 0.418 84 D N 3.489 123.805 120.400 -0.142 0.000 2.701 84 D HA -0.212 4.429 4.640 0.002 0.000 0.235 84 D C 1.220 177.472 176.300 -0.081 0.000 1.155 84 D CA 1.511 55.449 54.000 -0.103 0.000 0.649 84 D CB -0.661 40.079 40.800 -0.099 0.000 1.050 84 D HN 1.120 nan 8.370 nan 0.000 0.425 85 G N -2.225 106.529 108.800 -0.076 0.000 2.179 85 G HA2 -0.325 3.636 3.960 0.002 0.000 0.260 85 G HA3 -0.325 3.636 3.960 0.002 0.000 0.260 85 G C 0.371 175.234 174.900 -0.062 0.000 0.977 85 G CA 0.263 45.326 45.100 -0.061 0.000 0.641 85 G HN 0.616 nan 8.290 nan 0.000 0.533 86 V N 2.347 122.216 119.914 -0.075 0.000 2.364 86 V HA 0.441 4.562 4.120 0.002 0.000 0.272 86 V C -1.805 174.239 176.094 -0.082 0.000 1.036 86 V CA -1.731 60.525 62.300 -0.074 0.000 0.880 86 V CB 1.534 33.312 31.823 -0.075 0.000 0.991 86 V HN 0.098 nan 8.190 nan 0.000 0.460 87 P HA 0.242 nan 4.420 nan 0.000 0.267 87 P C -0.376 176.845 177.300 -0.131 0.000 1.209 87 P CA 0.275 63.324 63.100 -0.086 0.000 0.763 87 P CB 0.369 32.020 31.700 -0.082 0.000 0.816 88 T N 5.174 119.645 114.554 -0.139 0.000 2.937 88 T HA 0.411 4.762 4.350 0.002 0.000 0.297 88 T C -2.669 171.923 174.700 -0.181 0.000 0.991 88 T CA -1.684 60.274 62.100 -0.237 0.000 0.990 88 T CB 1.348 70.104 68.868 -0.186 0.000 0.991 88 T HN 0.099 nan 8.240 nan 0.000 0.440 89 P HA 0.115 nan 4.420 nan 0.000 0.268 89 P C -0.515 176.843 177.300 0.096 0.000 1.208 89 P CA -0.333 62.626 63.100 -0.235 0.000 0.777 89 P CB 0.450 31.959 31.700 -0.319 0.000 0.875 90 D N 2.648 123.103 120.400 0.091 0.000 2.325 90 D HA 0.109 4.750 4.640 0.002 0.000 0.251 90 D C -1.638 174.794 176.300 0.219 0.000 1.196 90 D CA -2.133 52.060 54.000 0.322 0.000 0.866 90 D CB 0.328 41.324 40.800 0.327 0.000 1.101 90 D HN 0.106 nan 8.370 nan 0.000 0.476 91 P HA -0.104 nan 4.420 nan 0.000 0.222 91 P C 0.256 177.552 177.300 -0.006 0.000 1.147 91 P CA 1.029 64.139 63.100 0.015 0.000 0.790 91 P CB -0.032 31.505 31.700 -0.271 0.000 0.780 92 Y N -0.874 119.496 120.300 0.117 0.000 2.470 92 Y HA 0.368 4.919 4.550 0.002 0.000 0.284 92 Y C 1.270 177.183 175.900 0.022 0.000 1.188 92 Y CA -0.786 57.243 58.100 -0.117 0.000 1.269 92 Y CB -0.850 37.470 38.460 -0.233 0.000 1.094 92 Y HN -0.154 nan 8.280 nan 0.000 0.518 93 A N 0.867 123.845 122.820 0.263 0.000 2.565 93 A HA 0.031 4.352 4.320 0.002 0.000 0.237 93 A C 1.274 179.044 177.584 0.310 0.000 1.053 93 A CA -0.154 52.039 52.037 0.261 0.000 0.755 93 A CB 0.438 19.522 19.000 0.140 0.000 0.980 93 A HN 0.349 nan 8.150 nan 0.000 0.506 94 R N 0.375 121.074 120.500 0.333 0.000 2.276 94 R HA 0.236 4.577 4.340 0.002 0.000 0.196 94 R C -0.760 175.831 176.300 0.485 0.000 0.961 94 R CA 0.522 56.859 56.100 0.396 0.000 1.024 94 R CB -0.355 30.134 30.300 0.315 0.000 0.940 94 R HN 0.673 nan 8.270 nan 0.000 0.480 95 F N -0.705 119.355 119.950 0.184 0.000 2.688 95 F HA 0.347 4.875 4.527 0.002 0.000 0.308 95 F C -1.581 174.269 175.800 0.083 0.000 1.117 95 F CA -1.205 56.885 58.000 0.150 0.000 0.976 95 F CB 1.200 40.281 39.000 0.135 0.000 1.291 95 F HN -0.238 nan 8.300 nan 0.000 0.439 96 L N 7.497 128.367 121.223 -0.588 0.000 2.488 96 L HA 0.346 4.687 4.340 0.002 0.000 0.250 96 L C -1.853 174.591 176.870 -0.711 0.000 1.280 96 L CA -1.282 53.281 54.840 -0.461 0.000 0.929 96 L CB 1.435 43.357 42.059 -0.228 0.000 1.200 96 L HN 0.398 nan 8.230 nan 0.000 0.495 97 P HA -0.112 nan 4.420 nan 0.000 0.220 97 P C 0.265 177.388 177.300 -0.294 0.000 1.148 97 P CA 1.121 63.906 63.100 -0.525 0.000 0.803 97 P CB 0.366 31.975 31.700 -0.152 0.000 0.782 98 D N -0.547 119.716 120.400 -0.228 0.000 2.388 98 D HA 0.294 4.935 4.640 0.002 0.000 0.221 98 D C 1.283 177.495 176.300 -0.146 0.000 1.133 98 D CA 0.435 54.345 54.000 -0.150 0.000 0.831 98 D CB 0.306 41.049 40.800 -0.096 0.000 0.962 98 D HN 0.132 nan 8.370 nan 0.000 0.502 99 G N 0.769 109.441 108.800 -0.213 0.000 2.725 99 G HA2 -0.282 3.679 3.960 0.002 0.000 0.220 99 G HA3 -0.282 3.679 3.960 0.002 0.000 0.220 99 G C 0.993 175.799 174.900 -0.157 0.000 1.357 99 G CA -0.204 44.785 45.100 -0.185 0.000 0.866 99 G HN 0.383 nan 8.290 nan 0.000 0.548 100 V N -3.021 116.780 119.914 -0.187 0.000 3.141 100 V HA 0.119 4.240 4.120 0.002 0.000 0.265 100 V C 1.688 177.654 176.094 -0.213 0.000 1.126 100 V CA 2.252 64.438 62.300 -0.190 0.000 1.141 100 V CB -0.509 31.200 31.823 -0.190 0.000 0.743 100 V HN 0.764 nan 8.190 nan 0.000 0.492 101 H N 0.678 119.799 119.070 0.086 0.000 2.549 101 H HA 0.509 5.066 4.556 0.002 0.000 0.279 101 H C 1.115 176.414 175.328 -0.049 0.000 1.018 101 H CA 0.531 56.626 56.048 0.078 0.000 1.175 101 H CB 0.604 30.426 29.762 0.099 0.000 1.485 101 H HN 0.603 nan 8.280 nan 0.000 0.543 102 G N 0.205 108.993 108.800 -0.020 0.000 2.705 102 G HA2 0.297 4.258 3.960 0.002 0.000 0.299 102 G HA3 0.297 4.258 3.960 0.002 0.000 0.299 102 G C -0.326 174.484 174.900 -0.150 0.000 1.315 102 G CA -0.657 44.397 45.100 -0.076 0.000 1.045 102 G HN 0.108 nan 8.290 nan 0.000 0.517 103 E N -0.411 119.693 120.200 -0.160 0.000 2.383 103 E HA 0.409 4.760 4.350 0.002 0.000 0.264 103 E C 0.427 176.865 176.600 -0.271 0.000 1.050 103 E CA -0.178 56.082 56.400 -0.234 0.000 0.896 103 E CB 1.162 30.761 29.700 -0.169 0.000 0.982 103 E HN 0.540 nan 8.360 nan 0.000 0.424 104 A N 2.756 125.292 122.820 -0.474 0.000 2.304 104 A HA 0.166 4.487 4.320 0.002 0.000 0.271 104 A C -0.028 177.472 177.584 -0.140 0.000 1.091 104 A CA -0.323 51.484 52.037 -0.385 0.000 0.812 104 A CB 0.628 19.264 19.000 -0.608 0.000 1.056 104 A HN 0.716 nan 8.150 nan 0.000 0.489 105 E N 0.921 121.189 120.200 0.113 0.000 2.179 105 E HA 0.481 4.832 4.350 0.002 0.000 0.275 105 E C -1.116 175.684 176.600 0.333 0.000 0.945 105 E CA -0.701 55.845 56.400 0.243 0.000 0.792 105 E CB 1.306 31.175 29.700 0.281 0.000 1.125 105 E HN 0.414 nan 8.360 nan 0.000 0.397 106 V N 4.397 124.492 119.914 0.301 0.000 2.529 106 V HA 0.057 4.178 4.120 0.002 0.000 0.292 106 V C 0.021 176.123 176.094 0.013 0.000 1.028 106 V CA -0.061 62.315 62.300 0.127 0.000 1.074 106 V CB 0.769 32.596 31.823 0.007 0.000 0.958 106 V HN 0.434 nan 8.190 nan 0.000 0.481 107 V N 4.069 123.926 119.914 -0.094 0.000 2.555 107 V HA 0.424 4.545 4.120 0.002 0.000 0.302 107 V C -0.374 175.440 176.094 -0.466 0.000 1.038 107 V CA -0.624 61.508 62.300 -0.280 0.000 0.887 107 V CB 2.040 33.645 31.823 -0.365 0.000 0.991 107 V HN 0.912 nan 8.190 nan 0.000 0.434 108 D N 2.796 122.960 120.400 -0.392 0.000 2.414 108 D HA 0.377 5.018 4.640 0.002 0.000 0.232 108 D C 0.294 176.411 176.300 -0.304 0.000 1.070 108 D CA -0.467 53.345 54.000 -0.313 0.000 0.839 108 D CB 1.206 41.920 40.800 -0.142 0.000 1.079 108 D HN 0.292 nan 8.370 nan 0.000 0.521 109 F N 1.706 121.648 119.950 -0.014 0.000 2.604 109 F HA 0.169 4.697 4.527 0.002 0.000 0.298 109 F C 2.476 178.310 175.800 0.057 0.000 1.131 109 F CA 0.428 58.416 58.000 -0.020 0.000 1.457 109 F CB -0.139 38.840 39.000 -0.036 0.000 1.095 109 F HN 0.534 nan 8.300 nan 0.000 0.574 110 G N -0.971 107.936 108.800 0.179 0.000 2.598 110 G HA2 -0.122 3.839 3.960 0.002 0.000 0.215 110 G HA3 -0.122 3.839 3.960 0.002 0.000 0.215 110 G C 1.631 176.599 174.900 0.113 0.000 1.131 110 G CA 1.122 46.314 45.100 0.153 0.000 0.785 110 G HN 0.288 nan 8.290 nan 0.000 0.539 111 T N 0.457 115.054 114.554 0.072 0.000 2.809 111 T HA 0.054 4.405 4.350 0.002 0.000 0.260 111 T C 0.824 175.528 174.700 0.007 0.000 1.039 111 T CA -0.134 61.980 62.100 0.022 0.000 1.141 111 T CB -0.160 68.702 68.868 -0.010 0.000 0.869 111 T HN 0.161 nan 8.240 nan 0.000 0.437 112 F N 3.266 123.124 119.950 -0.153 0.000 2.607 112 F HA 0.073 4.601 4.527 0.002 0.000 0.374 112 F C -0.061 175.531 175.800 -0.346 0.000 1.104 112 F CA -0.579 57.220 58.000 -0.334 0.000 1.296 112 F CB 0.375 39.029 39.000 -0.577 0.000 1.085 112 F HN -0.023 nan 8.300 nan 0.000 0.584 113 D N 6.923 126.709 120.400 -1.024 0.000 2.494 113 D HA 0.048 4.689 4.640 0.002 0.000 0.217 113 D C -0.726 175.216 176.300 -0.596 0.000 1.153 113 D CA 0.090 53.733 54.000 -0.595 0.000 0.954 113 D CB -0.157 40.352 40.800 -0.486 0.000 1.034 113 D HN 0.407 nan 8.370 nan 0.000 0.518 114 W N 0.690 121.969 121.300 -0.036 0.000 2.181 114 W HA 0.070 4.731 4.660 0.002 0.000 0.335 114 W C 1.773 178.333 176.519 0.068 0.000 1.310 114 W CA -0.254 57.176 57.345 0.140 0.000 1.226 114 W CB 0.672 30.254 29.460 0.203 0.000 1.155 114 W HN 0.199 nan 8.180 nan 0.000 0.565 115 T N -2.226 112.540 114.554 0.353 0.000 3.182 115 T HA -0.003 4.348 4.350 0.002 0.000 0.277 115 T C 0.248 175.093 174.700 0.242 0.000 1.013 115 T CA -0.240 61.992 62.100 0.220 0.000 0.900 115 T CB -0.267 68.668 68.868 0.113 0.000 1.098 115 T HN 0.432 nan 8.240 nan 0.000 0.543 116 D N 0.632 121.236 120.400 0.341 0.000 2.615 116 D HA 0.401 5.042 4.640 0.002 0.000 0.236 116 D C 1.485 177.887 176.300 0.171 0.000 1.233 116 D CA -0.256 53.917 54.000 0.288 0.000 0.829 116 D CB 0.154 41.211 40.800 0.428 0.000 1.024 116 D HN 0.356 nan 8.370 nan 0.000 0.490 117 A N 0.718 123.617 122.820 0.131 0.000 1.978 117 A HA -0.179 4.142 4.320 0.002 0.000 0.220 117 A C 1.521 179.058 177.584 -0.078 0.000 1.170 117 A CA 1.205 53.268 52.037 0.044 0.000 0.636 117 A CB -0.179 18.867 19.000 0.077 0.000 0.810 117 A HN 0.121 nan 8.150 nan 0.000 0.448 118 D N -1.871 118.503 120.400 -0.043 0.000 2.340 118 D HA 0.004 4.645 4.640 0.002 0.000 0.220 118 D C 0.188 176.305 176.300 -0.306 0.000 1.039 118 D CA -0.121 53.812 54.000 -0.113 0.000 0.866 118 D CB -0.146 40.683 40.800 0.048 0.000 0.913 118 D HN 0.697 nan 8.370 nan 0.000 0.523 119 W N 1.214 122.219 121.300 -0.492 0.000 2.316 119 W HA 0.130 4.791 4.660 0.002 0.000 0.311 119 W C -0.619 175.435 176.519 -0.774 0.000 1.217 119 W CA -0.059 56.979 57.345 -0.511 0.000 1.199 119 W CB 0.435 29.637 29.460 -0.432 0.000 1.202 119 W HN 0.020 nan 8.180 nan 0.000 0.528 120 H N 3.916 122.408 119.070 -0.964 0.000 2.562 120 H HA 0.343 4.900 4.556 0.002 0.000 0.249 120 H C 0.923 175.663 175.328 -0.980 0.000 1.195 120 H CA 0.350 55.933 56.048 -0.775 0.000 0.938 120 H CB 0.303 29.794 29.762 -0.453 0.000 1.891 120 H HN 0.722 nan 8.280 nan 0.000 0.595 121 G N 0.750 108.602 108.800 -1.579 0.000 2.741 121 G HA2 -0.251 3.710 3.960 0.002 0.000 0.222 121 G HA3 -0.251 3.710 3.960 0.002 0.000 0.222 121 G C -0.767 173.718 174.900 -0.692 0.000 1.364 121 G CA -0.281 44.344 45.100 -0.791 0.000 0.866 121 G HN 0.416 nan 8.290 nan 0.000 0.555 122 I N -0.473 120.019 120.570 -0.130 0.000 2.656 122 I HA 0.532 4.703 4.170 0.002 0.000 0.292 122 I C 0.076 176.234 176.117 0.068 0.000 1.144 122 I CA -1.091 60.213 61.300 0.005 0.000 1.038 122 I CB 1.550 39.722 38.000 0.287 0.000 1.244 122 I HN 0.660 nan 8.210 nan 0.000 0.420 123 K N 5.231 125.632 120.400 0.002 0.000 2.237 123 K HA 0.146 4.467 4.320 0.002 0.000 0.270 123 K C 0.623 177.243 176.600 0.034 0.000 1.015 123 K CA -0.533 55.763 56.287 0.016 0.000 0.949 123 K CB 1.238 33.718 32.500 -0.032 0.000 0.976 123 K HN 0.473 nan 8.250 nan 0.000 0.472 124 L N 3.354 124.613 121.223 0.060 0.000 2.013 124 L HA -0.230 4.111 4.340 0.002 0.000 0.212 124 L C 2.038 178.877 176.870 -0.053 0.000 1.073 124 L CA 2.138 56.998 54.840 0.033 0.000 0.753 124 L CB -0.827 41.281 42.059 0.082 0.000 0.890 124 L HN 0.887 nan 8.230 nan 0.000 0.432 125 A N -1.483 121.310 122.820 -0.044 0.000 2.131 125 A HA -0.187 4.134 4.320 0.002 0.000 0.220 125 A C 1.642 179.170 177.584 -0.092 0.000 1.158 125 A CA 1.836 53.833 52.037 -0.067 0.000 0.665 125 A CB -0.599 18.368 19.000 -0.056 0.000 0.795 125 A HN 0.579 nan 8.150 nan 0.000 0.460 126 D N -1.435 118.908 120.400 -0.095 0.000 2.369 126 D HA 0.147 4.788 4.640 0.002 0.000 0.211 126 D C -0.224 175.991 176.300 -0.143 0.000 1.077 126 D CA 0.029 53.968 54.000 -0.101 0.000 0.842 126 D CB -0.092 40.665 40.800 -0.071 0.000 0.947 126 D HN 0.303 nan 8.370 nan 0.000 0.509 127 C N 1.196 120.347 119.300 -0.247 0.000 2.435 127 C HA 0.447 4.908 4.460 0.002 0.000 0.375 127 C C 0.565 175.273 174.990 -0.471 0.000 1.281 127 C CA -0.619 58.100 59.018 -0.498 0.000 1.963 127 C CB 0.868 27.980 27.740 -1.045 0.000 2.490 127 C HN -0.042 nan 8.230 nan 0.000 0.557 128 V N 4.853 124.531 119.914 -0.393 0.000 2.380 128 V HA 0.336 4.457 4.120 0.002 0.000 0.286 128 V C -0.442 175.532 176.094 -0.201 0.000 1.015 128 V CA -0.284 61.877 62.300 -0.232 0.000 0.834 128 V CB 0.504 32.285 31.823 -0.069 0.000 1.009 128 V HN 0.663 nan 8.190 nan 0.000 0.428 129 F N 3.854 123.796 119.950 -0.013 0.000 2.399 129 F HA 0.441 4.970 4.527 0.002 0.000 0.342 129 F C -0.136 175.725 175.800 0.101 0.000 1.106 129 F CA -0.385 57.618 58.000 0.005 0.000 1.196 129 F CB 0.661 39.620 39.000 -0.068 0.000 1.163 129 F HN 0.481 nan 8.300 nan 0.000 0.547 130 Y N 2.489 122.915 120.300 0.211 0.000 2.363 130 Y HA 0.267 4.818 4.550 0.002 0.000 0.325 130 Y C -0.371 175.554 175.900 0.042 0.000 0.984 130 Y CA -0.856 57.304 58.100 0.100 0.000 1.248 130 Y CB 0.814 39.322 38.460 0.079 0.000 1.116 130 Y HN 0.653 nan 8.280 nan 0.000 0.470 131 E N 5.776 125.856 120.200 -0.201 0.000 2.223 131 E HA 0.459 4.810 4.350 0.002 0.000 0.282 131 E C -1.203 175.155 176.600 -0.403 0.000 1.046 131 E CA -0.602 55.723 56.400 -0.125 0.000 0.857 131 E CB 0.756 30.514 29.700 0.096 0.000 1.055 131 E HN 0.511 nan 8.360 nan 0.000 0.409 132 V N 2.497 122.261 119.914 -0.250 0.000 2.555 132 V HA 0.372 4.493 4.120 0.002 0.000 0.302 132 V C -0.485 175.505 176.094 -0.175 0.000 1.038 132 V CA -0.912 61.166 62.300 -0.369 0.000 0.887 132 V CB 1.624 33.087 31.823 -0.599 0.000 0.991 132 V HN 0.731 nan 8.190 nan 0.000 0.434 133 H N 3.574 122.549 119.070 -0.159 0.000 2.597 133 H HA 0.413 4.970 4.556 0.002 0.000 0.303 133 H C 0.473 175.872 175.328 0.119 0.000 1.057 133 H CA -0.191 55.900 56.048 0.072 0.000 1.261 133 H CB 2.095 32.050 29.762 0.322 0.000 1.397 133 H HN 0.638 nan 8.280 nan 0.000 0.461 134 V N 4.697 124.293 119.914 -0.529 0.000 2.324 134 V HA -0.257 3.864 4.120 0.002 0.000 0.250 134 V C 2.540 178.416 176.094 -0.363 0.000 1.060 134 V CA 2.306 64.275 62.300 -0.552 0.000 1.042 134 V CB -0.675 30.518 31.823 -1.049 0.000 0.650 134 V HN 0.928 nan 8.190 nan 0.000 0.450 135 G N -0.294 108.300 108.800 -0.342 0.000 2.422 135 G HA2 -0.207 3.754 3.960 0.002 0.000 0.218 135 G HA3 -0.207 3.754 3.960 0.002 0.000 0.218 135 G C 1.592 176.859 174.900 0.612 0.000 1.140 135 G CA 1.534 46.928 45.100 0.491 0.000 0.775 135 G HN 0.609 nan 8.290 nan 0.000 0.545 136 T N -3.071 111.921 114.554 0.731 0.000 3.001 136 T HA 0.171 4.522 4.350 0.002 0.000 0.251 136 T C 1.830 176.789 174.700 0.432 0.000 1.040 136 T CA -0.108 62.283 62.100 0.484 0.000 0.985 136 T CB -0.142 69.093 68.868 0.610 0.000 1.011 136 T HN 0.040 nan 8.240 nan 0.000 0.509 137 F N 4.424 124.544 119.950 0.283 0.000 2.269 137 F HA 0.140 4.668 4.527 0.002 0.000 0.301 137 F C 0.824 176.916 175.800 0.486 0.000 1.082 137 F CA 0.968 59.155 58.000 0.312 0.000 1.360 137 F CB -0.361 38.785 39.000 0.244 0.000 1.041 137 F HN 0.348 nan 8.300 nan 0.000 0.512 138 T N -4.555 110.184 114.554 0.309 0.000 2.883 138 T HA 0.382 4.733 4.350 0.002 0.000 0.301 138 T C -2.057 172.723 174.700 0.133 0.000 1.158 138 T CA -1.799 60.395 62.100 0.157 0.000 1.007 138 T CB 1.591 70.457 68.868 -0.004 0.000 1.186 138 T HN -0.373 nan 8.240 nan 0.000 0.499 139 P HA -0.101 nan 4.420 nan 0.000 0.215 139 P C 1.154 178.491 177.300 0.060 0.000 1.157 139 P CA 1.337 64.467 63.100 0.050 0.000 0.874 139 P CB 0.068 31.782 31.700 0.023 0.000 0.790 140 E N -1.406 118.826 120.200 0.053 0.000 2.153 140 E HA 0.047 4.398 4.350 0.002 0.000 0.194 140 E C 1.349 178.023 176.600 0.123 0.000 0.988 140 E CA 1.097 57.540 56.400 0.071 0.000 0.811 140 E CB -0.890 28.834 29.700 0.040 0.000 0.746 140 E HN 0.205 nan 8.360 nan 0.000 0.466 141 G N 1.256 110.139 108.800 0.138 0.000 2.246 141 G HA2 -0.279 3.682 3.960 0.002 0.000 0.273 141 G HA3 -0.279 3.682 3.960 0.002 0.000 0.273 141 G C 0.189 175.137 174.900 0.080 0.000 1.055 141 G CA 0.611 45.822 45.100 0.186 0.000 0.851 141 G HN 0.412 nan 8.290 nan 0.000 0.500 142 T N -4.005 110.555 114.554 0.010 0.000 2.887 142 T HA 0.647 4.998 4.350 0.002 0.000 0.292 142 T C 0.957 175.608 174.700 -0.082 0.000 1.087 142 T CA -0.345 61.697 62.100 -0.096 0.000 1.009 142 T CB 1.352 70.217 68.868 -0.005 0.000 1.203 142 T HN 0.152 nan 8.240 nan 0.000 0.518 143 Y N 0.124 120.475 120.300 0.086 0.000 2.224 143 Y HA -0.076 4.475 4.550 0.002 0.000 0.289 143 Y C 3.003 178.937 175.900 0.057 0.000 1.146 143 Y CA 0.408 58.545 58.100 0.062 0.000 1.182 143 Y CB -0.185 38.317 38.460 0.070 0.000 0.983 143 Y HN 0.356 nan 8.280 nan 0.000 0.524 144 R N 0.316 120.931 120.500 0.192 0.000 2.092 144 R HA -0.095 4.246 4.340 0.002 0.000 0.231 144 R C 2.435 178.777 176.300 0.071 0.000 1.119 144 R CA 1.154 57.323 56.100 0.116 0.000 0.970 144 R CB -0.974 29.377 30.300 0.084 0.000 0.864 144 R HN 0.394 nan 8.270 nan 0.000 0.440 145 A N 1.089 123.943 122.820 0.057 0.000 1.898 145 A HA -0.006 4.315 4.320 0.002 0.000 0.216 145 A C 2.386 179.990 177.584 0.033 0.000 1.181 145 A CA 1.553 53.595 52.037 0.008 0.000 0.620 145 A CB -0.504 18.492 19.000 -0.007 0.000 0.819 145 A HN 0.321 nan 8.150 nan 0.000 0.442 146 A N 0.125 123.043 122.820 0.164 0.000 1.908 146 A HA 0.089 4.410 4.320 0.002 0.000 0.218 146 A C 2.496 180.222 177.584 0.236 0.000 1.181 146 A CA 2.215 54.461 52.037 0.349 0.000 0.627 146 A CB -1.068 18.159 19.000 0.379 0.000 0.818 146 A HN 1.117 nan 8.150 nan 0.000 0.445 147 A N -0.422 122.482 122.820 0.139 0.000 1.978 147 A HA -0.169 4.152 4.320 0.002 0.000 0.220 147 A C 1.818 179.427 177.584 0.041 0.000 1.170 147 A CA 1.749 53.834 52.037 0.080 0.000 0.636 147 A CB -0.424 18.609 19.000 0.055 0.000 0.810 147 A HN 0.471 nan 8.150 nan 0.000 0.448 148 E N 0.213 120.413 120.200 0.001 0.000 2.265 148 E HA -0.119 4.232 4.350 0.002 0.000 0.196 148 E C 1.237 177.780 176.600 -0.096 0.000 0.996 148 E CA 0.771 57.134 56.400 -0.061 0.000 0.832 148 E CB -0.137 29.498 29.700 -0.108 0.000 0.756 148 E HN 0.510 nan 8.360 nan 0.000 0.491 149 K N 0.372 120.728 120.400 -0.073 0.000 2.444 149 K HA 0.133 4.454 4.320 0.002 0.000 0.193 149 K C 2.101 178.797 176.600 0.160 0.000 1.024 149 K CA -0.054 56.200 56.287 -0.054 0.000 1.077 149 K CB 0.120 32.528 32.500 -0.153 0.000 0.833 149 K HN 0.182 nan 8.250 nan 0.000 0.517 150 L N 1.154 122.445 121.223 0.114 0.000 2.012 150 L HA -0.160 4.181 4.340 0.002 0.000 0.210 150 L C -0.659 176.249 176.870 0.063 0.000 1.073 150 L CA 1.608 56.501 54.840 0.088 0.000 0.748 150 L CB -1.586 40.496 42.059 0.039 0.000 0.891 150 L HN 0.066 nan 8.230 nan 0.000 0.431 151 P HA -0.235 nan 4.420 nan 0.000 0.216 151 P C 1.385 178.724 177.300 0.065 0.000 1.150 151 P CA 1.304 64.430 63.100 0.043 0.000 0.837 151 P CB -0.103 31.617 31.700 0.034 0.000 0.786 152 Y N 0.629 120.928 120.300 -0.000 0.000 2.128 152 Y HA -0.204 4.347 4.550 0.002 0.000 0.284 152 Y C 1.989 177.917 175.900 0.046 0.000 1.154 152 Y CA 1.545 59.667 58.100 0.037 0.000 1.149 152 Y CB -1.159 37.336 38.460 0.058 0.000 0.976 152 Y HN -0.208 nan 8.280 nan 0.000 0.505 153 L N 0.170 121.326 121.223 -0.112 0.000 2.083 153 L HA -0.198 4.143 4.340 0.002 0.000 0.209 153 L C 2.526 179.273 176.870 -0.205 0.000 1.083 153 L CA 1.752 56.429 54.840 -0.272 0.000 0.752 153 L CB -0.619 41.354 42.059 -0.143 0.000 0.899 153 L HN 0.148 nan 8.230 nan 0.000 0.433 154 K N 0.499 120.838 120.400 -0.100 0.000 2.026 154 K HA -0.226 4.095 4.320 0.002 0.000 0.208 154 K C 2.119 178.675 176.600 -0.074 0.000 1.048 154 K CA 1.501 57.753 56.287 -0.059 0.000 0.929 154 K CB -0.254 32.234 32.500 -0.020 0.000 0.713 154 K HN 0.084 nan 8.250 nan 0.000 0.439 155 E N 0.348 120.492 120.200 -0.093 0.000 2.110 155 E HA -0.163 4.188 4.350 0.002 0.000 0.193 155 E C 1.937 178.469 176.600 -0.112 0.000 0.988 155 E CA 0.973 57.327 56.400 -0.076 0.000 0.804 155 E CB -0.251 29.420 29.700 -0.048 0.000 0.745 155 E HN 0.283 nan 8.360 nan 0.000 0.458 156 L N 0.050 121.127 121.223 -0.243 0.000 2.043 156 L HA -0.127 4.214 4.340 0.002 0.000 0.212 156 L C 1.626 178.455 176.870 -0.067 0.000 1.075 156 L CA 2.753 57.464 54.840 -0.215 0.000 0.752 156 L CB -0.461 41.355 42.059 -0.404 0.000 0.891 156 L HN 0.353 nan 8.230 nan 0.000 0.432 157 G N -1.989 106.771 108.800 -0.066 0.000 2.183 157 G HA2 -0.146 3.815 3.960 0.002 0.000 0.168 157 G HA3 -0.146 3.815 3.960 0.002 0.000 0.168 157 G C 0.261 175.161 174.900 0.001 0.000 1.008 157 G CA 0.137 45.228 45.100 -0.014 0.000 0.677 157 G HN 0.834 nan 8.290 nan 0.000 0.498 158 V N -0.711 119.198 119.914 -0.009 0.000 3.133 158 V HA 0.832 4.953 4.120 0.002 0.000 0.305 158 V C 1.171 177.271 176.094 0.010 0.000 1.084 158 V CA 1.246 63.560 62.300 0.025 0.000 1.089 158 V CB 1.406 33.281 31.823 0.086 0.000 1.073 158 V HN 1.011 nan 8.190 nan 0.000 0.477 159 T N -1.795 112.766 114.554 0.011 0.000 3.016 159 T HA 0.677 5.028 4.350 0.002 0.000 0.271 159 T C 0.258 175.010 174.700 0.087 0.000 0.968 159 T CA 0.434 62.556 62.100 0.037 0.000 0.891 159 T CB 0.210 69.087 68.868 0.015 0.000 1.149 159 T HN 1.809 nan 8.240 nan 0.000 0.524 160 A N 1.777 124.641 122.820 0.074 0.000 2.459 160 A HA 0.677 4.998 4.320 0.002 0.000 0.296 160 A C -1.170 176.609 177.584 0.325 0.000 1.039 160 A CA -0.855 51.312 52.037 0.217 0.000 0.698 160 A CB 1.031 20.016 19.000 -0.024 0.000 1.261 160 A HN 0.301 nan 8.150 nan 0.000 0.405 161 I N 1.887 122.684 120.570 0.379 0.000 2.315 161 I HA 0.373 4.544 4.170 0.002 0.000 0.291 161 I C 0.184 176.542 176.117 0.401 0.000 1.006 161 I CA -0.388 61.110 61.300 0.329 0.000 1.265 161 I CB 1.019 39.132 38.000 0.188 0.000 1.387 161 I HN 0.804 nan 8.210 nan 0.000 0.475 162 Q N 6.479 126.468 119.800 0.316 0.000 2.398 162 Q HA 0.469 4.810 4.340 0.002 0.000 0.251 162 Q C -1.062 175.006 176.000 0.113 0.000 0.999 162 Q CA -0.253 55.684 55.803 0.224 0.000 0.874 162 Q CB 1.138 29.949 28.738 0.121 0.000 1.215 162 Q HN 0.524 nan 8.270 nan 0.000 0.470 166 L N -0.080 121.068 121.223 -0.124 0.000 2.664 166 L HA 0.464 4.805 4.340 0.002 0.000 0.233 166 L C 0.946 177.982 176.870 0.277 0.000 1.113 166 L CA -0.192 54.744 54.840 0.161 0.000 0.896 166 L CB 0.158 42.269 42.059 0.088 0.000 1.163 166 L HN 0.553 nan 8.230 nan 0.000 0.497 167 A N 1.395 124.343 122.820 0.212 0.000 2.540 167 A HA 0.437 4.758 4.320 0.002 0.000 0.239 167 A C 0.789 178.597 177.584 0.373 0.000 1.061 167 A CA 0.158 52.418 52.037 0.371 0.000 0.758 167 A CB 0.085 19.261 19.000 0.293 0.000 0.991 167 A HN 0.279 nan 8.150 nan 0.000 0.502 168 A N 2.200 125.237 122.820 0.361 0.000 2.520 168 A HA 0.519 4.840 4.320 0.002 0.000 0.245 168 A C 0.032 177.764 177.584 0.246 0.000 1.072 168 A CA 0.293 52.472 52.037 0.237 0.000 0.761 168 A CB -0.583 18.515 19.000 0.164 0.000 1.004 168 A HN 1.492 nan 8.150 nan 0.000 0.499 169 F N -0.076 119.912 119.950 0.064 0.000 2.664 169 F HA 0.722 5.251 4.527 0.002 0.000 0.329 169 F C -0.339 175.471 175.800 0.015 0.000 1.090 169 F CA -1.670 56.322 58.000 -0.013 0.000 0.978 169 F CB 0.778 39.694 39.000 -0.138 0.000 1.378 169 F HN 0.404 nan 8.300 nan 0.000 0.495 170 D N 0.059 120.586 120.400 0.212 0.000 2.304 170 D HA 0.504 5.145 4.640 0.002 0.000 0.247 170 D C 0.370 176.707 176.300 0.062 0.000 1.089 170 D CA 1.489 55.545 54.000 0.092 0.000 0.910 170 D CB 1.348 42.252 40.800 0.174 0.000 1.199 170 D HN 1.129 nan 8.370 nan 0.000 0.426 171 G N 2.360 111.179 108.800 0.031 0.000 2.710 171 G HA2 -0.161 3.800 3.960 0.002 0.000 0.668 171 G HA3 -0.161 3.800 3.960 0.002 0.000 0.668 171 G C 0.149 175.079 174.900 0.049 0.000 1.320 171 G CA -0.394 44.718 45.100 0.020 0.000 0.860 171 G HN 0.440 nan 8.290 nan 0.000 0.538 172 Q N 0.032 119.847 119.800 0.025 0.000 2.319 172 Q HA 0.146 4.487 4.340 0.002 0.000 0.209 172 Q C 1.406 177.416 176.000 0.017 0.000 0.884 172 Q CA 1.147 56.948 55.803 -0.003 0.000 0.938 172 Q CB 0.543 29.251 28.738 -0.049 0.000 1.098 172 Q HN 0.841 nan 8.270 nan 0.000 0.517 173 R N -1.851 118.679 120.500 0.050 0.000 2.733 173 R HA 0.769 5.110 4.340 0.002 0.000 0.272 173 R C -0.727 175.790 176.300 0.361 0.000 1.029 173 R CA -0.394 55.745 56.100 0.066 0.000 0.888 173 R CB 0.697 30.468 30.300 -0.880 0.000 1.251 173 R HN -0.036 nan 8.270 nan 0.000 0.464 174 G N -0.839 108.286 108.800 0.542 0.000 2.340 174 G HA2 0.297 4.258 3.960 0.002 0.000 0.298 174 G HA3 0.297 4.258 3.960 0.002 0.000 0.298 174 G C -1.070 173.961 174.900 0.219 0.000 1.498 174 G CA -0.694 44.444 45.100 0.062 0.000 0.847 174 G HN 0.428 nan 8.290 nan 0.000 0.594 175 W N 0.223 121.290 121.300 -0.388 0.000 2.363 175 W HA 0.270 4.931 4.660 0.002 0.000 0.296 175 W C 2.166 178.616 176.519 -0.116 0.000 1.212 175 W CA 2.330 59.615 57.345 -0.100 0.000 1.260 175 W CB -0.102 29.412 29.460 0.089 0.000 1.131 175 W HN 1.812 nan 8.180 nan 0.000 0.530 176 G N -3.346 105.225 108.800 -0.381 0.000 2.296 176 G HA2 -0.271 3.690 3.960 0.002 0.000 0.188 176 G HA3 -0.271 3.690 3.960 0.002 0.000 0.188 176 G C 0.614 175.163 174.900 -0.585 0.000 1.000 176 G CA -0.014 44.730 45.100 -0.595 0.000 0.672 176 G HN 0.256 nan 8.290 nan 0.000 0.483 177 Y N 1.699 121.969 120.300 -0.050 0.000 2.578 177 Y HA 0.218 4.769 4.550 0.002 0.000 0.297 177 Y C 1.653 177.670 175.900 0.195 0.000 1.176 177 Y CA 0.935 59.103 58.100 0.113 0.000 1.315 177 Y CB 0.312 38.942 38.460 0.283 0.000 1.031 177 Y HN 0.152 nan 8.280 nan 0.000 0.524 178 D N -0.449 119.985 120.400 0.056 0.000 2.368 178 D HA 0.101 4.742 4.640 0.002 0.000 0.218 178 D C 1.117 177.489 176.300 0.121 0.000 1.112 178 D CA 0.108 54.149 54.000 0.069 0.000 0.834 178 D CB -0.107 40.704 40.800 0.018 0.000 0.953 178 D HN 0.219 nan 8.370 nan 0.000 0.505 179 G N 0.705 109.571 108.800 0.111 0.000 2.163 179 G HA2 0.144 4.105 3.960 0.002 0.000 0.239 179 G HA3 0.144 4.105 3.960 0.002 0.000 0.239 179 G C 0.851 176.026 174.900 0.458 0.000 1.148 179 G CA 0.413 45.693 45.100 0.299 0.000 0.880 179 G HN 0.226 nan 8.290 nan 0.000 0.466 180 A N 2.259 125.371 122.820 0.486 0.000 2.066 180 A HA 0.711 5.032 4.320 0.002 0.000 0.198 180 A C 1.433 179.322 177.584 0.508 0.000 1.405 180 A CA 1.099 53.429 52.037 0.489 0.000 0.973 180 A CB 0.452 19.607 19.000 0.258 0.000 1.026 180 A HN 1.771 nan 8.150 nan 0.000 0.474 181 A N -0.131 122.990 122.820 0.503 0.000 2.511 181 A HA 0.620 4.941 4.320 0.002 0.000 0.340 181 A C 0.119 178.104 177.584 0.669 0.000 1.396 181 A CA -0.562 51.765 52.037 0.484 0.000 0.887 181 A CB -0.331 18.861 19.000 0.321 0.000 1.145 181 A HN 0.184 nan 8.150 nan 0.000 0.497 182 F N 0.450 120.717 119.950 0.528 0.000 2.365 182 F HA -0.076 4.452 4.527 0.002 0.000 0.300 182 F C 1.237 177.161 175.800 0.207 0.000 1.090 182 F CA 1.263 59.487 58.000 0.374 0.000 1.408 182 F CB -0.695 38.517 39.000 0.354 0.000 1.060 182 F HN 0.773 nan 8.300 nan 0.000 0.534 183 Y N -0.664 119.807 120.300 0.286 0.000 2.490 183 Y HA 0.395 4.946 4.550 0.001 0.000 0.281 183 Y C 1.096 177.058 175.900 0.103 0.000 1.174 183 Y CA 0.073 58.187 58.100 0.023 0.000 1.295 183 Y CB -0.072 38.411 38.460 0.039 0.000 1.062 183 Y HN -0.110 nan 8.280 nan 0.000 0.522 184 A N 1.248 124.316 122.820 0.413 0.000 2.267 184 A HA 0.500 4.821 4.320 0.002 0.000 0.315 184 A C -2.752 175.128 177.584 0.494 0.000 1.297 184 A CA -1.913 50.382 52.037 0.430 0.000 0.865 184 A CB 0.183 19.383 19.000 0.334 0.000 1.165 184 A HN -0.110 nan 8.150 nan 0.000 0.513 185 P HA -0.006 nan 4.420 nan 0.000 0.267 185 P C -0.560 177.071 177.300 0.551 0.000 1.205 185 P CA 0.219 63.693 63.100 0.624 0.000 0.765 185 P CB 0.091 32.139 31.700 0.579 0.000 0.828 186 Y N 3.860 124.292 120.300 0.220 0.000 2.745 186 Y HA 0.075 4.626 4.550 0.002 0.000 0.335 186 Y C 1.535 177.372 175.900 -0.105 0.000 1.212 186 Y CA -0.191 57.821 58.100 -0.148 0.000 1.535 186 Y CB -0.081 38.075 38.460 -0.507 0.000 1.220 186 Y HN 0.564 nan 8.280 nan 0.000 0.531 187 A N 7.445 129.977 122.820 -0.479 0.000 1.940 187 A HA -0.115 4.207 4.320 0.002 0.000 0.219 187 A C -0.275 177.099 177.584 -0.350 0.000 1.176 187 A CA 1.456 53.330 52.037 -0.272 0.000 0.631 187 A CB -1.666 17.050 19.000 -0.474 0.000 0.814 187 A HN 0.723 nan 8.150 nan 0.000 0.446 188 P HA -0.170 nan 4.420 nan 0.000 0.218 188 P C 0.902 178.097 177.300 -0.175 0.000 1.146 188 P CA 1.110 63.912 63.100 -0.498 0.000 0.813 188 P CB -0.209 31.072 31.700 -0.699 0.000 0.778 189 Y N -1.338 118.773 120.300 -0.315 0.000 2.439 189 Y HA 0.148 4.699 4.550 0.002 0.000 0.292 189 Y C 1.518 177.089 175.900 -0.548 0.000 1.130 189 Y CA -0.128 57.689 58.100 -0.473 0.000 1.254 189 Y CB 0.067 38.068 38.460 -0.765 0.000 1.000 189 Y HN 0.001 nan 8.280 nan 0.000 0.554 190 G N 0.040 108.854 108.800 0.023 0.000 2.359 190 G HA2 0.077 4.038 3.960 0.002 0.000 0.314 190 G HA3 0.077 4.038 3.960 0.002 0.000 0.314 190 G C -1.442 173.673 174.900 0.357 0.000 1.364 190 G CA -1.197 44.033 45.100 0.217 0.000 0.978 190 G HN -0.031 nan 8.290 nan 0.000 0.615 191 R N 0.550 121.153 120.500 0.173 0.000 2.583 191 R HA 0.392 4.733 4.340 0.002 0.000 0.268 191 R C -1.473 174.729 176.300 -0.163 0.000 1.101 191 R CA -1.258 54.703 56.100 -0.231 0.000 1.180 191 R CB 0.789 30.968 30.300 -0.201 0.000 1.128 191 R HN 0.243 nan 8.270 nan 0.000 0.568 192 P HA -0.248 nan 4.420 nan 0.000 0.216 192 P C 0.847 178.160 177.300 0.022 0.000 1.153 192 P CA 1.406 64.523 63.100 0.028 0.000 0.858 192 P CB 0.112 31.818 31.700 0.010 0.000 0.789 193 E N -0.525 119.628 120.200 -0.078 0.000 2.204 193 E HA -0.190 4.161 4.350 0.002 0.000 0.194 193 E C 1.068 177.633 176.600 -0.059 0.000 0.989 193 E CA 1.211 57.560 56.400 -0.083 0.000 0.824 193 E CB -1.040 28.685 29.700 0.042 0.000 0.756 193 E HN 0.280 nan 8.360 nan 0.000 0.477 194 D N 1.086 121.501 120.400 0.025 0.000 2.144 194 D HA -0.039 4.602 4.640 0.002 0.000 0.200 194 D C 1.306 177.606 176.300 0.001 0.000 0.978 194 D CA 0.266 54.331 54.000 0.108 0.000 0.833 194 D CB -0.250 40.716 40.800 0.277 0.000 0.961 194 D HN 0.167 nan 8.370 nan 0.000 0.470 198 L N 1.165 122.322 121.223 -0.111 0.000 2.027 198 L HA 0.012 4.353 4.340 0.002 0.000 0.206 198 L C 2.160 178.920 176.870 -0.182 0.000 1.074 198 L CA 2.783 57.563 54.840 -0.098 0.000 0.745 198 L CB -0.582 41.426 42.059 -0.085 0.000 0.898 198 L HN 0.233 nan 8.230 nan 0.000 0.433 199 V N 0.003 119.749 119.914 -0.280 0.000 2.343 199 V HA -0.303 3.818 4.120 0.002 0.000 0.247 199 V C 2.338 178.199 176.094 -0.388 0.000 1.051 199 V CA 2.039 64.079 62.300 -0.435 0.000 1.036 199 V CB -0.827 30.718 31.823 -0.463 0.000 0.654 199 V HN 0.556 nan 8.190 nan 0.000 0.451 200 D N 0.062 120.446 120.400 -0.027 0.000 2.117 200 D HA -0.142 4.499 4.640 0.002 0.000 0.197 200 D C 2.127 178.441 176.300 0.024 0.000 0.987 200 D CA 1.459 55.557 54.000 0.163 0.000 0.829 200 D CB -0.158 40.813 40.800 0.285 0.000 0.961 200 D HN 0.374 nan 8.370 nan 0.000 0.460 201 A N 0.433 123.237 122.820 -0.026 0.000 1.902 201 A HA 0.004 4.325 4.320 0.002 0.000 0.217 201 A C 2.351 179.892 177.584 -0.073 0.000 1.181 201 A CA 2.152 54.171 52.037 -0.029 0.000 0.623 201 A CB -1.088 17.901 19.000 -0.019 0.000 0.818 201 A HN 0.319 nan 8.150 nan 0.000 0.443 202 A N -0.648 122.080 122.820 -0.153 0.000 1.877 202 A HA -0.211 4.110 4.320 0.002 0.000 0.216 202 A C 1.942 179.381 177.584 -0.241 0.000 1.186 202 A CA 1.742 53.666 52.037 -0.188 0.000 0.620 202 A CB -1.100 17.752 19.000 -0.246 0.000 0.822 202 A HN 0.765 nan 8.150 nan 0.000 0.443 203 H N -1.281 117.540 119.070 -0.415 0.000 2.387 203 H HA -0.062 4.495 4.556 0.002 0.000 0.299 203 H C 2.313 177.463 175.328 -0.297 0.000 1.090 203 H CA 0.831 56.466 56.048 -0.689 0.000 1.332 203 H CB 0.084 29.473 29.762 -0.622 0.000 1.386 203 H HN 0.239 nan 8.280 nan 0.000 0.516 204 R N 0.757 121.262 120.500 0.009 0.000 2.152 204 R HA -0.070 4.271 4.340 0.002 0.000 0.232 204 R C 1.965 178.281 176.300 0.026 0.000 1.117 204 R CA 0.674 56.800 56.100 0.045 0.000 0.981 204 R CB -0.353 29.976 30.300 0.048 0.000 0.870 204 R HN 0.389 nan 8.270 nan 0.000 0.451 205 L N -0.461 120.754 121.223 -0.014 0.000 2.591 205 L HA 0.142 4.483 4.340 0.002 0.000 0.228 205 L C 0.961 177.840 176.870 0.014 0.000 1.133 205 L CA 0.494 55.334 54.840 0.000 0.000 0.880 205 L CB 0.025 42.077 42.059 -0.011 0.000 1.033 205 L HN 0.346 nan 8.230 nan 0.000 0.450 206 G N 0.680 109.474 108.800 -0.011 0.000 2.137 206 G HA2 -0.256 3.705 3.960 0.002 0.000 0.237 206 G HA3 -0.256 3.705 3.960 0.002 0.000 0.237 206 G C -0.033 174.895 174.900 0.046 0.000 1.002 206 G CA -0.235 44.940 45.100 0.126 0.000 0.702 206 G HN 0.220 nan 8.290 nan 0.000 0.515 207 L N 0.614 121.725 121.223 -0.188 0.000 2.309 207 L HA 0.695 5.036 4.340 0.002 0.000 0.282 207 L C 1.285 178.039 176.870 -0.192 0.000 1.036 207 L CA -0.563 54.227 54.840 -0.083 0.000 0.806 207 L CB 1.555 43.593 42.059 -0.034 0.000 1.220 207 L HN 0.192 nan 8.230 nan 0.000 0.429 208 G N 1.951 110.877 108.800 0.211 0.000 2.539 208 G HA2 0.495 4.456 3.960 0.002 0.000 0.258 208 G HA3 0.495 4.456 3.960 0.002 0.000 0.258 208 G C -0.707 174.440 174.900 0.412 0.000 1.202 208 G CA -0.257 45.126 45.100 0.471 0.000 0.851 208 G HN 0.340 nan 8.290 nan 0.000 0.556 209 V N 0.779 120.923 119.914 0.383 0.000 2.623 209 V HA 0.509 4.630 4.120 0.002 0.000 0.304 209 V C -0.984 175.375 176.094 0.442 0.000 1.054 209 V CA -0.578 61.937 62.300 0.358 0.000 0.882 209 V CB 1.296 33.105 31.823 -0.023 0.000 1.002 209 V HN 0.628 nan 8.190 nan 0.000 0.424 210 F N 4.074 124.269 119.950 0.409 0.000 2.561 210 F HA 0.792 5.320 4.527 0.002 0.000 0.321 210 F C -0.385 175.438 175.800 0.037 0.000 1.065 210 F CA -0.966 57.205 58.000 0.285 0.000 0.934 210 F CB 2.187 41.324 39.000 0.229 0.000 1.215 210 F HN 0.358 nan 8.300 nan 0.000 0.471 211 L N 2.226 123.321 121.223 -0.213 0.000 2.362 211 L HA 0.472 4.813 4.340 0.002 0.000 0.275 211 L C -0.896 175.679 176.870 -0.492 0.000 0.998 211 L CA -0.455 54.006 54.840 -0.631 0.000 0.820 211 L CB 1.378 42.501 42.059 -1.561 0.000 1.270 211 L HN 0.437 nan 8.230 nan 0.000 0.415 212 D N 3.309 123.446 120.400 -0.439 0.000 2.348 212 D HA 0.387 5.028 4.640 0.002 0.000 0.253 212 D C -0.755 175.199 176.300 -0.576 0.000 1.161 212 D CA 0.214 53.959 54.000 -0.425 0.000 0.876 212 D CB 1.034 41.641 40.800 -0.322 0.000 1.160 212 D HN 0.424 nan 8.370 nan 0.000 0.459 213 V N 1.225 120.769 119.914 -0.617 0.000 2.914 213 V HA 0.661 4.782 4.120 0.002 0.000 0.314 213 V C -0.442 175.162 176.094 -0.818 0.000 1.084 213 V CA -0.903 60.906 62.300 -0.818 0.000 0.963 213 V CB 2.057 33.258 31.823 -1.036 0.000 1.025 213 V HN 0.191 nan 8.190 nan 0.000 0.432 214 V N 4.812 124.213 119.914 -0.856 0.000 2.289 214 V HA 0.354 4.475 4.120 0.002 0.000 0.272 214 V C -0.675 175.233 176.094 -0.310 0.000 1.026 214 V CA -0.132 61.870 62.300 -0.498 0.000 0.807 214 V CB 0.407 31.992 31.823 -0.396 0.000 1.044 214 V HN 0.922 nan 8.190 nan 0.000 0.443 215 Y N 2.735 123.009 120.300 -0.042 0.000 2.625 215 Y HA 0.162 4.713 4.550 0.002 0.000 0.285 215 Y C 1.510 177.617 175.900 0.346 0.000 1.168 215 Y CA -1.055 57.161 58.100 0.194 0.000 1.250 215 Y CB -0.676 37.908 38.460 0.206 0.000 1.130 215 Y HN 0.820 nan 8.280 nan 0.000 0.526 216 N N -0.801 118.149 118.700 0.417 0.000 2.227 216 N HA 0.017 4.758 4.740 0.002 0.000 0.196 216 N C 0.154 175.984 175.510 0.534 0.000 1.142 216 N CA 0.115 53.456 53.050 0.485 0.000 0.887 216 N CB 0.415 39.168 38.487 0.444 0.000 1.022 216 N HN 0.205 nan 8.380 nan 0.000 0.500 217 H N -2.164 117.112 119.070 0.342 0.000 3.024 217 H HA 0.322 4.879 4.556 0.002 0.000 0.324 217 H C -1.868 173.652 175.328 0.319 0.000 1.347 217 H CA -1.032 55.238 56.048 0.370 0.000 1.182 217 H CB 0.180 30.154 29.762 0.353 0.000 1.889 217 H HN -0.128 nan 8.280 nan 0.000 0.528 218 F N 0.607 120.797 119.950 0.399 0.000 2.458 218 F HA 0.532 5.060 4.527 0.001 0.000 0.330 218 F C 1.479 177.472 175.800 0.321 0.000 1.082 218 F CA 0.221 58.390 58.000 0.281 0.000 0.995 218 F CB 1.750 40.793 39.000 0.071 0.000 1.170 218 F HN 0.786 nan 8.300 nan 0.000 0.478 219 G N 1.679 110.674 108.800 0.325 0.000 2.699 219 G HA2 0.230 4.191 3.960 0.002 0.000 0.246 219 G HA3 0.230 4.191 3.960 0.002 0.000 0.246 219 G C -1.832 172.945 174.900 -0.206 0.000 1.219 219 G CA -0.933 44.127 45.100 -0.067 0.000 0.866 219 G HN 0.480 nan 8.290 nan 0.000 0.572 220 P HA 0.044 nan 4.420 nan 0.000 0.231 220 P C 0.509 177.650 177.300 -0.265 0.000 1.168 220 P CA 0.653 63.487 63.100 -0.443 0.000 0.779 220 P CB 0.678 31.885 31.700 -0.821 0.000 0.844 221 S N -0.971 114.619 115.700 -0.184 0.000 2.647 221 S HA 0.574 5.045 4.470 0.002 0.000 0.300 221 S C 0.646 175.231 174.600 -0.025 0.000 1.129 221 S CA 0.148 58.328 58.200 -0.033 0.000 1.029 221 S CB 0.456 63.719 63.200 0.104 0.000 1.007 221 S HN 0.291 nan 8.310 nan 0.000 0.484 222 G N 3.800 112.538 108.800 -0.103 0.000 2.179 222 G HA2 -0.202 3.759 3.960 0.002 0.000 0.220 222 G HA3 -0.202 3.759 3.960 0.002 0.000 0.220 222 G C -0.188 174.649 174.900 -0.105 0.000 0.990 222 G CA -0.009 45.013 45.100 -0.129 0.000 0.646 222 G HN 0.876 nan 8.290 nan 0.000 0.517 223 N N -0.012 118.531 118.700 -0.261 0.000 2.462 223 N HA 0.528 5.269 4.740 0.002 0.000 0.242 223 N C 0.319 175.602 175.510 -0.377 0.000 1.010 223 N CA -0.784 52.117 53.050 -0.248 0.000 0.939 223 N CB 0.226 38.552 38.487 -0.267 0.000 1.127 223 N HN 0.208 nan 8.380 nan 0.000 0.509 224 Y N 2.663 122.923 120.300 -0.067 0.000 2.524 224 Y HA 0.277 4.828 4.550 0.002 0.000 0.266 224 Y C 1.538 177.504 175.900 0.110 0.000 1.180 224 Y CA -0.197 57.933 58.100 0.050 0.000 1.244 224 Y CB 0.249 38.814 38.460 0.174 0.000 1.125 224 Y HN 0.492 nan 8.280 nan 0.000 0.524 225 L N -1.123 120.090 121.223 -0.018 0.000 2.079 225 L HA -0.282 4.059 4.340 0.002 0.000 0.210 225 L C 2.288 179.310 176.870 0.254 0.000 1.081 225 L CA 1.471 56.251 54.840 -0.101 0.000 0.752 225 L CB -0.456 41.151 42.059 -0.754 0.000 0.896 225 L HN 0.145 nan 8.230 nan 0.000 0.433 226 S N -0.971 114.895 115.700 0.277 0.000 2.419 226 S HA -0.148 4.323 4.470 0.002 0.000 0.233 226 S C 2.144 176.832 174.600 0.147 0.000 1.016 226 S CA 1.277 59.631 58.200 0.257 0.000 0.974 226 S CB -0.093 63.182 63.200 0.125 0.000 0.786 226 S HN 0.382 nan 8.310 nan 0.000 0.492 227 S N 0.196 115.982 115.700 0.142 0.000 2.423 227 S HA -0.035 4.436 4.470 0.002 0.000 0.231 227 S C 1.358 175.870 174.600 -0.147 0.000 1.014 227 S CA 1.005 59.206 58.200 0.001 0.000 0.965 227 S CB -0.248 62.956 63.200 0.008 0.000 0.785 227 S HN 0.625 nan 8.310 nan 0.000 0.495 228 Y N 0.869 121.179 120.300 0.018 0.000 2.262 228 Y HA 0.435 4.986 4.550 0.002 0.000 0.295 228 Y C 0.985 176.748 175.900 -0.228 0.000 1.121 228 Y CA 0.467 58.526 58.100 -0.070 0.000 1.144 228 Y CB 0.229 38.719 38.460 0.051 0.000 1.043 228 Y HN 0.208 nan 8.280 nan 0.000 0.528 229 A N -0.732 122.118 122.820 0.050 0.000 2.509 229 A HA 0.422 4.743 4.320 0.002 0.000 0.282 229 A C -2.444 175.164 177.584 0.040 0.000 1.054 229 A CA -1.140 50.753 52.037 -0.240 0.000 0.820 229 A CB 0.723 19.098 19.000 -1.041 0.000 1.333 229 A HN -0.054 nan 8.150 nan 0.000 0.409 230 P HA -0.176 nan 4.420 nan 0.000 0.219 230 P C 1.555 178.941 177.300 0.144 0.000 1.146 230 P CA 2.056 65.233 63.100 0.129 0.000 0.808 230 P CB 0.260 31.995 31.700 0.058 0.000 0.779 231 S N -3.007 112.727 115.700 0.057 0.000 2.603 231 S HA -0.112 4.359 4.470 0.002 0.000 0.229 231 S C 1.563 176.172 174.600 0.015 0.000 0.972 231 S CA 0.270 58.508 58.200 0.064 0.000 0.935 231 S CB -1.440 61.824 63.200 0.107 0.000 0.769 231 S HN 0.092 nan 8.310 nan 0.000 0.536 232 Y N 1.227 121.481 120.300 -0.076 0.000 2.315 232 Y HA 0.162 4.713 4.550 0.001 0.000 0.288 232 Y C 0.511 175.934 175.900 -0.794 0.000 1.154 232 Y CA 0.507 58.326 58.100 -0.469 0.000 1.229 232 Y CB -0.229 37.689 38.460 -0.903 0.000 0.980 232 Y HN 0.297 nan 8.280 nan 0.000 0.540 233 F N -2.199 117.820 119.950 0.115 0.000 2.598 233 F HA 0.533 5.061 4.527 0.001 0.000 0.327 233 F C 0.271 176.025 175.800 -0.076 0.000 1.057 233 F CA -1.416 56.579 58.000 -0.009 0.000 0.957 233 F CB 1.540 40.527 39.000 -0.022 0.000 1.278 233 F HN -0.536 nan 8.300 nan 0.000 0.484 234 T N -0.435 114.123 114.554 0.007 0.000 2.900 234 T HA 0.298 4.649 4.350 0.002 0.000 0.295 234 T C -0.056 174.528 174.700 -0.195 0.000 1.044 234 T CA -0.644 61.373 62.100 -0.139 0.000 0.995 234 T CB 1.024 69.732 68.868 -0.267 0.000 1.072 234 T HN 0.678 nan 8.240 nan 0.000 0.473 235 D N 2.562 122.894 120.400 -0.113 0.000 2.349 235 D HA 0.013 4.654 4.640 0.002 0.000 0.224 235 D C 1.639 177.888 176.300 -0.086 0.000 1.029 235 D CA 0.092 54.039 54.000 -0.087 0.000 0.879 235 D CB -0.087 40.693 40.800 -0.034 0.000 0.906 235 D HN 0.521 nan 8.370 nan 0.000 0.528 236 R N -0.276 120.141 120.500 -0.137 0.000 2.096 236 R HA -0.016 4.325 4.340 0.002 0.000 0.235 236 R C -0.116 176.252 176.300 0.114 0.000 1.127 236 R CA 0.995 57.089 56.100 -0.011 0.000 0.968 236 R CB -0.022 30.299 30.300 0.035 0.000 0.861 236 R HN 0.322 nan 8.270 nan 0.000 0.440 237 F N -3.406 116.589 119.950 0.075 0.000 2.643 237 F HA 0.647 5.175 4.527 0.001 0.000 0.314 237 F C -0.954 174.891 175.800 0.075 0.000 1.096 237 F CA -1.271 56.773 58.000 0.073 0.000 0.953 237 F CB 1.385 40.442 39.000 0.095 0.000 1.345 237 F HN -0.368 nan 8.300 nan 0.000 0.468 238 S N 0.223 116.084 115.700 0.270 0.000 2.638 238 S HA 0.761 5.232 4.470 0.002 0.000 0.302 238 S C -0.714 174.014 174.600 0.214 0.000 1.096 238 S CA -0.657 57.632 58.200 0.149 0.000 0.953 238 S CB 1.937 65.166 63.200 0.050 0.000 1.107 238 S HN 0.735 nan 8.310 nan 0.000 0.503 239 S N 0.747 116.538 115.700 0.153 0.000 2.718 239 S HA 0.572 5.043 4.470 0.002 0.000 0.292 239 S C 1.527 176.068 174.600 -0.099 0.000 1.125 239 S CA -0.170 58.090 58.200 0.099 0.000 1.013 239 S CB 0.735 64.086 63.200 0.252 0.000 1.192 239 S HN 0.823 nan 8.310 nan 0.000 0.535 240 A N -0.495 122.139 122.820 -0.310 0.000 1.972 240 A HA -0.065 4.256 4.320 0.002 0.000 0.219 240 A C 1.419 178.624 177.584 -0.632 0.000 1.169 240 A CA 1.333 52.991 52.037 -0.632 0.000 0.635 240 A CB -0.590 17.799 19.000 -1.019 0.000 0.810 240 A HN 0.871 nan 8.150 nan 0.000 0.446 241 W N -1.987 119.267 121.300 -0.077 0.000 2.842 241 W HA 0.429 5.090 4.660 0.002 0.000 0.267 241 W C 1.051 177.538 176.519 -0.054 0.000 1.219 241 W CA 0.370 57.690 57.345 -0.040 0.000 1.458 241 W CB 0.493 29.982 29.460 0.047 0.000 1.006 241 W HN 0.490 nan 8.180 nan 0.000 0.603 245 L N 1.622 123.088 121.223 0.405 0.000 2.361 245 L HA 0.325 4.666 4.340 0.002 0.000 0.278 245 L C 0.150 176.974 176.870 -0.077 0.000 1.113 245 L CA -0.326 54.623 54.840 0.182 0.000 0.849 245 L CB 1.187 43.273 42.059 0.045 0.000 1.155 245 L HN 0.499 nan 8.230 nan 0.000 0.452 246 D N 2.364 122.666 120.400 -0.163 0.000 2.422 246 D HA 0.035 4.676 4.640 0.002 0.000 0.227 246 D C 0.444 176.684 176.300 -0.100 0.000 1.190 246 D CA -0.106 53.845 54.000 -0.082 0.000 0.905 246 D CB 0.342 41.112 40.800 -0.049 0.000 1.034 246 D HN 0.322 nan 8.370 nan 0.000 0.507 247 Y N 1.769 122.188 120.300 0.197 0.000 2.632 247 Y HA 0.078 4.629 4.550 0.002 0.000 0.301 247 Y C 2.222 178.159 175.900 0.061 0.000 1.172 247 Y CA 0.394 58.561 58.100 0.112 0.000 1.328 247 Y CB -0.284 38.215 38.460 0.066 0.000 1.016 247 Y HN 0.528 nan 8.280 nan 0.000 0.529 248 A N -0.250 122.674 122.820 0.175 0.000 2.066 248 A HA -0.096 4.225 4.320 0.002 0.000 0.218 248 A C 0.962 178.580 177.584 0.057 0.000 1.157 248 A CA 0.640 52.740 52.037 0.105 0.000 0.670 248 A CB -0.332 18.724 19.000 0.093 0.000 0.804 248 A HN 0.218 nan 8.150 nan 0.000 0.453 249 E N 0.309 120.537 120.200 0.046 0.000 2.089 249 E HA 0.344 4.695 4.350 0.002 0.000 0.284 249 E C -2.035 174.541 176.600 -0.040 0.000 1.023 249 E CA -2.702 53.689 56.400 -0.016 0.000 0.819 249 E CB 0.956 30.642 29.700 -0.024 0.000 1.076 249 E HN 0.056 nan 8.360 nan 0.000 0.396 250 P HA -0.158 nan 4.420 nan 0.000 0.217 250 P C -0.020 177.153 177.300 -0.211 0.000 1.148 250 P CA 1.177 64.164 63.100 -0.187 0.000 0.828 250 P CB 0.036 31.546 31.700 -0.317 0.000 0.783 254 R N 0.429 121.105 120.500 0.294 0.000 2.148 254 R HA -0.018 4.323 4.340 0.002 0.000 0.223 254 R C 1.751 178.372 176.300 0.534 0.000 1.088 254 R CA 1.406 57.716 56.100 0.351 0.000 0.985 254 R CB -0.137 30.262 30.300 0.166 0.000 0.880 254 R HN 0.171 nan 8.270 nan 0.000 0.451 255 Y N 1.285 121.868 120.300 0.471 0.000 2.128 255 Y HA -0.298 4.253 4.550 0.002 0.000 0.284 255 Y C 2.201 178.301 175.900 0.333 0.000 1.154 255 Y CA 1.974 60.377 58.100 0.505 0.000 1.149 255 Y CB -0.099 38.575 38.460 0.357 0.000 0.976 255 Y HN -0.079 nan 8.280 nan 0.000 0.505 256 V N -2.598 117.503 119.914 0.312 0.000 2.535 256 V HA -0.116 4.005 4.120 0.002 0.000 0.246 256 V C 2.148 178.103 176.094 -0.231 0.000 1.045 256 V CA 1.909 64.085 62.300 -0.208 0.000 1.058 256 V CB -1.470 30.038 31.823 -0.525 0.000 0.689 256 V HN 0.553 nan 8.190 nan 0.000 0.461 257 T N -1.188 113.389 114.554 0.039 0.000 2.821 257 T HA 0.027 4.378 4.350 0.002 0.000 0.267 257 T C 2.107 176.811 174.700 0.006 0.000 1.046 257 T CA 1.488 63.643 62.100 0.092 0.000 1.139 257 T CB -1.113 67.904 68.868 0.248 0.000 0.871 257 T HN 0.661 nan 8.240 nan 0.000 0.454 258 G N 1.714 110.516 108.800 0.003 0.000 2.469 258 G HA2 -0.326 3.635 3.960 0.002 0.000 0.219 258 G HA3 -0.326 3.635 3.960 0.002 0.000 0.219 258 G C 1.661 176.471 174.900 -0.151 0.000 1.150 258 G CA 0.956 45.892 45.100 -0.273 0.000 0.763 258 G HN 0.629 nan 8.290 nan 0.000 0.561 259 N N 1.057 119.561 118.700 -0.326 0.000 2.106 259 N HA -0.083 4.658 4.740 0.002 0.000 0.188 259 N C 2.599 177.961 175.510 -0.248 0.000 1.029 259 N CA 1.279 53.896 53.050 -0.721 0.000 0.848 259 N CB -0.194 37.866 38.487 -0.711 0.000 1.007 259 N HN 0.240 nan 8.380 nan 0.000 0.423 260 A N 1.860 124.681 122.820 0.001 0.000 1.883 260 A HA -0.120 4.201 4.320 0.002 0.000 0.217 260 A C 1.531 179.124 177.584 0.016 0.000 1.186 260 A CA 0.797 52.920 52.037 0.143 0.000 0.624 260 A CB -0.471 18.617 19.000 0.147 0.000 0.822 260 A HN 0.360 nan 8.150 nan 0.000 0.444 264 L N 0.967 122.319 121.223 0.215 0.000 2.005 264 L HA -0.049 4.292 4.340 0.002 0.000 0.207 264 L C 2.563 179.406 176.870 -0.046 0.000 1.072 264 L CA 1.814 56.632 54.840 -0.038 0.000 0.744 264 L CB -0.750 41.010 42.059 -0.498 0.000 0.895 264 L HN 0.010 nan 8.230 nan 0.000 0.433 265 R N 0.013 120.464 120.500 -0.082 0.000 2.055 265 R HA -0.119 4.222 4.340 0.002 0.000 0.226 265 R C 1.789 178.084 176.300 -0.008 0.000 1.135 265 R CA 1.646 57.707 56.100 -0.065 0.000 0.959 265 R CB -0.018 30.236 30.300 -0.077 0.000 0.854 265 R HN 0.307 nan 8.270 nan 0.000 0.431 266 D N -0.691 119.646 120.400 -0.104 0.000 2.183 266 D HA -0.092 4.549 4.640 0.002 0.000 0.205 266 D C 1.098 177.250 176.300 -0.248 0.000 0.962 266 D CA 1.123 54.922 54.000 -0.334 0.000 0.849 266 D CB 0.038 40.198 40.800 -1.067 0.000 0.978 266 D HN 0.313 nan 8.370 nan 0.000 0.488 267 Y N -0.334 120.036 120.300 0.116 0.000 2.458 267 Y HA 0.159 4.710 4.550 0.002 0.000 0.256 267 Y C 0.306 176.271 175.900 0.110 0.000 1.159 267 Y CA 0.035 58.281 58.100 0.243 0.000 1.261 267 Y CB -0.209 38.530 38.460 0.465 0.000 1.119 267 Y HN 0.116 nan 8.280 nan 0.000 0.524 268 H N -2.566 116.465 119.070 -0.064 0.000 2.958 268 H HA -0.213 4.344 4.556 0.002 0.000 0.274 268 H C -0.172 175.178 175.328 0.037 0.000 1.184 268 H CA -0.062 55.878 56.048 -0.179 0.000 1.143 268 H CB -1.841 27.500 29.762 -0.702 0.000 1.297 268 H HN 0.186 nan 8.280 nan 0.000 0.356 269 F N 1.275 121.342 119.950 0.196 0.000 2.595 269 F HA -0.085 4.443 4.527 0.002 0.000 0.359 269 F C 1.881 177.741 175.800 0.099 0.000 1.147 269 F CA 0.781 58.836 58.000 0.093 0.000 1.341 269 F CB 0.436 39.448 39.000 0.021 0.000 1.104 269 F HN 0.112 nan 8.300 nan 0.000 0.603 270 D N 0.996 121.466 120.400 0.118 0.000 2.354 270 D HA 0.192 4.833 4.640 0.002 0.000 0.209 270 D C 0.831 176.924 176.300 -0.345 0.000 1.015 270 D CA 0.699 54.662 54.000 -0.062 0.000 0.867 270 D CB 0.515 41.242 40.800 -0.122 0.000 0.933 270 D HN 0.616 nan 8.370 nan 0.000 0.520 271 G N -0.022 108.474 108.800 -0.507 0.000 2.466 271 G HA2 0.489 4.450 3.960 0.002 0.000 0.291 271 G HA3 0.489 4.450 3.960 0.002 0.000 0.291 271 G C -1.927 172.942 174.900 -0.052 0.000 1.460 271 G CA -0.786 44.160 45.100 -0.257 0.000 0.791 271 G HN 0.009 nan 8.290 nan 0.000 0.505 272 L N 0.262 121.525 121.223 0.068 0.000 2.370 272 L HA 0.690 5.031 4.340 0.002 0.000 0.266 272 L C 0.066 176.916 176.870 -0.034 0.000 1.002 272 L CA -1.070 53.736 54.840 -0.058 0.000 0.818 272 L CB 2.488 44.470 42.059 -0.129 0.000 1.325 272 L HN 0.516 nan 8.230 nan 0.000 0.418 273 R N 3.374 123.770 120.500 -0.174 0.000 2.246 273 R HA 0.477 4.818 4.340 0.002 0.000 0.332 273 R C -1.405 174.670 176.300 -0.375 0.000 0.974 273 R CA -0.596 55.328 56.100 -0.293 0.000 0.837 273 R CB 0.755 30.820 30.300 -0.391 0.000 1.145 273 R HN 0.643 nan 8.270 nan 0.000 0.467 274 L N 4.329 125.358 121.223 -0.324 0.000 2.325 274 L HA 0.162 4.503 4.340 0.002 0.000 0.284 274 L C 0.386 177.083 176.870 -0.288 0.000 1.089 274 L CA -0.462 54.194 54.840 -0.306 0.000 0.836 274 L CB 0.673 42.629 42.059 -0.172 0.000 1.184 274 L HN 0.553 nan 8.230 nan 0.000 0.444 275 D N 3.695 123.941 120.400 -0.257 0.000 2.424 275 D HA 0.275 4.916 4.640 0.002 0.000 0.244 275 D C 0.761 177.041 176.300 -0.033 0.000 1.134 275 D CA 0.481 54.401 54.000 -0.133 0.000 0.881 275 D CB 0.937 41.747 40.800 0.018 0.000 1.191 275 D HN 0.750 nan 8.370 nan 0.000 0.445 276 A N 2.947 125.763 122.820 -0.006 0.000 2.415 276 A HA -0.222 4.099 4.320 0.002 0.000 0.292 276 A C 1.552 179.170 177.584 0.056 0.000 1.452 276 A CA 1.435 53.540 52.037 0.114 0.000 0.750 276 A CB -2.372 16.815 19.000 0.312 0.000 1.099 276 A HN 0.828 nan 8.150 nan 0.000 0.391 277 T N -2.510 111.994 114.554 -0.083 0.000 2.849 277 T HA -0.055 4.296 4.350 0.002 0.000 0.270 277 T C -0.265 174.302 174.700 -0.222 0.000 1.066 277 T CA 1.349 63.386 62.100 -0.105 0.000 1.130 277 T CB -1.056 67.735 68.868 -0.128 0.000 0.864 277 T HN 0.515 nan 8.240 nan 0.000 0.481 278 P HA 0.031 nan 4.420 nan 0.000 0.222 278 P C -0.105 176.751 177.300 -0.740 0.000 1.147 278 P CA 0.795 63.448 63.100 -0.744 0.000 0.790 278 P CB -0.149 30.824 31.700 -1.212 0.000 0.780 282 D N 1.265 121.686 120.400 0.036 0.000 2.891 282 D HA 0.328 4.969 4.640 0.002 0.000 0.224 282 D C -0.557 175.762 176.300 0.031 0.000 1.321 282 D CA -0.493 53.497 54.000 -0.017 0.000 0.929 282 D CB 1.429 41.980 40.800 -0.414 0.000 1.551 282 D HN 0.359 nan 8.370 nan 0.000 0.574 283 D N 1.500 121.947 120.400 0.079 0.000 2.363 283 D HA 0.082 4.723 4.640 0.002 0.000 0.214 283 D C 0.099 176.440 176.300 0.070 0.000 1.093 283 D CA -0.024 54.026 54.000 0.084 0.000 0.837 283 D CB 0.503 41.357 40.800 0.089 0.000 0.948 283 D HN 0.194 nan 8.370 nan 0.000 0.507 284 S N 0.923 116.653 115.700 0.051 0.000 2.566 284 S HA -0.062 4.409 4.470 0.002 0.000 0.280 284 S C 1.557 176.188 174.600 0.052 0.000 1.343 284 S CA -0.212 58.015 58.200 0.045 0.000 1.036 284 S CB 1.965 65.183 63.200 0.028 0.000 0.866 284 S HN 0.255 nan 8.310 nan 0.000 0.526 285 E N 1.496 121.726 120.200 0.049 0.000 2.049 285 E HA -0.159 4.192 4.350 0.002 0.000 0.198 285 E C 0.003 176.640 176.600 0.062 0.000 1.007 285 E CA 1.105 57.536 56.400 0.051 0.000 0.809 285 E CB 0.062 29.789 29.700 0.044 0.000 0.749 285 E HN 0.584 nan 8.360 nan 0.000 0.450 286 T N 1.252 115.842 114.554 0.060 0.000 2.733 286 T HA 0.074 4.425 4.350 0.002 0.000 0.294 286 T C -0.474 174.267 174.700 0.068 0.000 0.956 286 T CA -0.389 61.754 62.100 0.071 0.000 0.987 286 T CB 0.886 69.797 68.868 0.073 0.000 0.920 286 T HN 0.198 nan 8.240 nan 0.000 0.470 287 H N 3.208 122.275 119.070 -0.004 0.000 2.790 287 H HA 0.079 4.636 4.556 0.002 0.000 0.358 287 H C 1.218 176.515 175.328 -0.052 0.000 1.103 287 H CA -0.451 55.582 56.048 -0.025 0.000 1.426 287 H CB 0.730 30.463 29.762 -0.048 0.000 1.424 287 H HN 0.515 nan 8.280 nan 0.000 0.599 288 I N 4.566 124.902 120.570 -0.391 0.000 2.248 288 I HA -0.299 3.872 4.170 0.002 0.000 0.248 288 I C 2.118 178.190 176.117 -0.074 0.000 1.107 288 I CA 1.287 62.413 61.300 -0.290 0.000 1.373 288 I CB -0.412 37.159 38.000 -0.715 0.000 1.055 288 I HN 0.671 nan 8.210 nan 0.000 0.418 289 L N -0.700 120.638 121.223 0.191 0.000 2.046 289 L HA -0.220 4.121 4.340 0.002 0.000 0.208 289 L C 2.376 179.277 176.870 0.052 0.000 1.077 289 L CA 1.859 56.767 54.840 0.113 0.000 0.747 289 L CB -1.138 40.975 42.059 0.090 0.000 0.896 289 L HN 0.208 nan 8.230 nan 0.000 0.432 290 T N -1.048 113.550 114.554 0.075 0.000 2.746 290 T HA -0.260 4.091 4.350 0.002 0.000 0.267 290 T C 1.770 176.470 174.700 0.000 0.000 1.039 290 T CA 1.649 63.778 62.100 0.047 0.000 1.142 290 T CB -0.158 68.748 68.868 0.064 0.000 0.866 290 T HN 0.381 nan 8.240 nan 0.000 0.444 291 E N 0.546 120.743 120.200 -0.005 0.000 2.106 291 E HA -0.068 4.283 4.350 0.002 0.000 0.192 291 E C 2.149 178.716 176.600 -0.056 0.000 0.984 291 E CA 0.611 56.990 56.400 -0.035 0.000 0.806 291 E CB -0.217 29.502 29.700 0.032 0.000 0.750 291 E HN 0.416 nan 8.360 nan 0.000 0.458 292 L N 0.455 121.661 121.223 -0.028 0.000 2.012 292 L HA -0.215 4.126 4.340 0.002 0.000 0.210 292 L C 2.637 179.468 176.870 -0.065 0.000 1.073 292 L CA 1.379 56.208 54.840 -0.017 0.000 0.748 292 L CB -0.438 41.631 42.059 0.018 0.000 0.891 292 L HN 0.237 nan 8.230 nan 0.000 0.431 293 A N -0.749 122.029 122.820 -0.070 0.000 1.902 293 A HA -0.268 4.053 4.320 0.002 0.000 0.217 293 A C 2.183 179.671 177.584 -0.160 0.000 1.181 293 A CA 1.689 53.647 52.037 -0.131 0.000 0.623 293 A CB -0.504 18.513 19.000 0.029 0.000 0.818 293 A HN 0.502 nan 8.150 nan 0.000 0.443 294 Q N -0.682 118.998 119.800 -0.200 0.000 2.061 294 Q HA -0.191 4.150 4.340 0.002 0.000 0.204 294 Q C 2.026 177.732 176.000 -0.490 0.000 0.984 294 Q CA 1.503 56.977 55.803 -0.549 0.000 0.846 294 Q CB -0.207 27.759 28.738 -1.286 0.000 0.902 294 Q HN 0.598 nan 8.270 nan 0.000 0.421 295 E N 0.432 120.472 120.200 -0.265 0.000 2.110 295 E HA -0.146 4.205 4.350 0.002 0.000 0.193 295 E C 1.971 178.600 176.600 0.048 0.000 0.988 295 E CA 0.920 57.366 56.400 0.077 0.000 0.804 295 E CB -0.036 29.768 29.700 0.173 0.000 0.745 295 E HN 0.430 nan 8.360 nan 0.000 0.458 296 I N -0.122 120.413 120.570 -0.059 0.000 2.333 296 I HA -0.200 3.971 4.170 0.002 0.000 0.246 296 I C 2.065 178.158 176.117 -0.040 0.000 1.106 296 I CA 0.809 62.059 61.300 -0.084 0.000 1.411 296 I CB -0.281 37.632 38.000 -0.145 0.000 1.082 296 I HN 0.104 nan 8.210 nan 0.000 0.420 297 H N 0.059 119.133 119.070 0.008 0.000 2.422 297 H HA -0.193 4.364 4.556 0.002 0.000 0.298 297 H C 2.139 177.502 175.328 0.059 0.000 1.098 297 H CA 1.247 57.305 56.048 0.017 0.000 1.315 297 H CB 0.111 29.844 29.762 -0.048 0.000 1.382 297 H HN 0.237 nan 8.280 nan 0.000 0.523 298 E N 1.267 121.584 120.200 0.195 0.000 2.208 298 E HA -0.121 4.230 4.350 0.002 0.000 0.193 298 E C 1.951 178.647 176.600 0.160 0.000 0.988 298 E CA 0.415 56.951 56.400 0.226 0.000 0.828 298 E CB -0.020 29.897 29.700 0.362 0.000 0.763 298 E HN 0.540 nan 8.360 nan 0.000 0.478 299 L N -0.129 121.175 121.223 0.135 0.000 2.349 299 L HA -0.113 4.229 4.340 0.002 0.000 0.220 299 L C 1.554 178.498 176.870 0.124 0.000 1.130 299 L CA 0.883 55.793 54.840 0.115 0.000 0.791 299 L CB -0.648 41.465 42.059 0.091 0.000 0.918 299 L HN 0.300 nan 8.230 nan 0.000 0.444 300 G N -0.178 108.697 108.800 0.125 0.000 2.198 300 G HA2 -0.186 3.776 3.960 0.002 0.000 0.257 300 G HA3 -0.186 3.776 3.960 0.002 0.000 0.257 300 G C 0.353 175.274 174.900 0.035 0.000 1.042 300 G CA 0.084 45.229 45.100 0.074 0.000 0.791 300 G HN 0.573 nan 8.290 nan 0.000 0.502 301 G N -1.532 107.293 108.800 0.043 0.000 3.122 301 G HA2 0.785 4.746 3.960 0.002 0.000 0.180 301 G HA3 0.785 4.746 3.960 0.002 0.000 0.180 301 G C 0.729 175.495 174.900 -0.224 0.000 1.279 301 G CA 0.794 45.786 45.100 -0.180 0.000 0.987 301 G HN 1.234 nan 8.290 nan 0.000 0.589 302 T N -2.177 112.113 114.554 -0.440 0.000 3.296 302 T HA 0.320 4.671 4.350 0.002 0.000 0.285 302 T C -0.080 174.492 174.700 -0.213 0.000 1.014 302 T CA -0.334 61.621 62.100 -0.242 0.000 0.920 302 T CB -0.716 68.019 68.868 -0.223 0.000 1.143 302 T HN 0.436 nan 8.240 nan 0.000 0.522 303 H N 1.213 120.276 119.070 -0.011 0.000 2.871 303 H HA 0.482 5.039 4.556 0.002 0.000 0.355 303 H C 0.168 175.507 175.328 0.019 0.000 1.092 303 H CA -0.130 55.909 56.048 -0.015 0.000 1.420 303 H CB 0.472 30.215 29.762 -0.032 0.000 1.400 303 H HN 0.279 nan 8.280 nan 0.000 0.604 304 L N 2.987 124.325 121.223 0.193 0.000 2.330 304 L HA 0.455 4.796 4.340 0.002 0.000 0.271 304 L C -0.567 176.419 176.870 0.193 0.000 1.013 304 L CA -0.704 54.274 54.840 0.230 0.000 0.816 304 L CB 1.355 43.667 42.059 0.420 0.000 1.287 304 L HN 0.354 nan 8.230 nan 0.000 0.435 305 L N 3.584 124.888 121.223 0.136 0.000 2.356 305 L HA 0.520 4.861 4.340 0.002 0.000 0.277 305 L C -1.050 175.874 176.870 0.090 0.000 0.996 305 L CA -0.607 54.283 54.840 0.084 0.000 0.822 305 L CB 2.020 44.090 42.059 0.018 0.000 1.256 305 L HN 0.313 nan 8.230 nan 0.000 0.413 306 L N 2.811 124.070 121.223 0.060 0.000 2.341 306 L HA 0.647 4.988 4.340 0.002 0.000 0.278 306 L C 0.173 176.989 176.870 -0.090 0.000 1.005 306 L CA -0.366 54.491 54.840 0.030 0.000 0.818 306 L CB 1.792 43.888 42.059 0.060 0.000 1.259 306 L HN 0.649 nan 8.230 nan 0.000 0.418 307 A N 2.813 125.592 122.820 -0.069 0.000 2.290 307 A HA 0.372 4.693 4.320 0.002 0.000 0.310 307 A C 0.152 177.629 177.584 -0.177 0.000 1.202 307 A CA -0.493 51.465 52.037 -0.132 0.000 0.837 307 A CB 0.587 19.532 19.000 -0.091 0.000 1.139 307 A HN 0.733 nan 8.150 nan 0.000 0.509 308 E N 2.575 122.596 120.200 -0.300 0.000 1.996 308 E HA 0.141 4.492 4.350 0.002 0.000 0.280 308 E C -1.351 175.167 176.600 -0.137 0.000 1.092 308 E CA 0.009 56.262 56.400 -0.245 0.000 0.862 308 E CB 0.329 29.802 29.700 -0.379 0.000 1.066 308 E HN 0.654 nan 8.360 nan 0.000 0.396 309 D N 3.087 123.433 120.400 -0.091 0.000 2.855 309 D HA 0.031 4.672 4.640 0.002 0.000 0.241 309 D C 0.102 176.278 176.300 -0.206 0.000 1.277 309 D CA -0.424 53.441 54.000 -0.223 0.000 0.918 309 D CB 0.799 41.464 40.800 -0.225 0.000 1.462 309 D HN 0.671 nan 8.370 nan 0.000 0.559 310 H N 1.850 120.810 119.070 -0.183 0.000 2.539 310 H HA 0.289 4.846 4.556 0.001 0.000 0.269 310 H C 1.050 176.184 175.328 -0.324 0.000 0.980 310 H CA 0.223 56.132 56.048 -0.231 0.000 1.152 310 H CB 0.089 29.714 29.762 -0.227 0.000 1.407 310 H HN 0.150 nan 8.280 nan 0.000 0.564 311 R N 0.443 120.715 120.500 -0.380 0.000 2.307 311 R HA 0.028 4.369 4.340 0.002 0.000 0.199 311 R C -0.194 175.887 176.300 -0.364 0.000 1.000 311 R CA 0.345 56.278 56.100 -0.277 0.000 1.023 311 R CB -0.078 30.055 30.300 -0.277 0.000 0.908 311 R HN 0.224 nan 8.270 nan 0.000 0.473 312 N N 0.690 118.996 118.700 -0.657 0.000 2.696 312 N HA -0.180 4.561 4.740 0.002 0.000 0.256 312 N C -1.480 173.553 175.510 -0.795 0.000 1.031 312 N CA 0.706 52.841 53.050 -1.525 0.000 0.730 312 N CB -0.885 36.606 38.487 -1.660 0.000 0.894 312 N HN 0.109 nan 8.380 nan 0.000 0.544 313 L N 0.359 121.347 121.223 -0.392 0.000 2.353 313 L HA 0.537 4.879 4.340 0.002 0.000 0.270 313 L C -1.750 175.151 176.870 0.051 0.000 1.003 313 L CA -1.675 53.094 54.840 -0.118 0.000 0.862 313 L CB 1.738 43.661 42.059 -0.227 0.000 1.221 313 L HN -0.161 nan 8.230 nan 0.000 0.430 314 P HA -0.045 nan 4.420 nan 0.000 0.223 314 P C 0.552 177.835 177.300 -0.029 0.000 1.151 314 P CA 0.864 64.051 63.100 0.145 0.000 0.787 314 P CB 0.326 32.104 31.700 0.130 0.000 0.788 315 D N -0.468 119.869 120.400 -0.106 0.000 2.228 315 D HA -0.142 4.500 4.640 0.002 0.000 0.203 315 D C 1.888 178.082 176.300 -0.176 0.000 0.988 315 D CA 0.813 54.717 54.000 -0.160 0.000 0.864 315 D CB -0.783 39.894 40.800 -0.206 0.000 0.928 315 D HN 0.190 nan 8.370 nan 0.000 0.469 316 L N -0.281 120.852 121.223 -0.150 0.000 2.079 316 L HA -0.185 4.156 4.340 0.002 0.000 0.210 316 L C 2.303 179.103 176.870 -0.117 0.000 1.081 316 L CA 0.768 55.523 54.840 -0.141 0.000 0.752 316 L CB -0.285 41.708 42.059 -0.110 0.000 0.896 316 L HN 0.020 nan 8.230 nan 0.000 0.433 317 V N -1.034 118.821 119.914 -0.098 0.000 2.426 317 V HA -0.149 3.972 4.120 0.002 0.000 0.242 317 V C 2.535 178.558 176.094 -0.118 0.000 1.036 317 V CA 1.960 64.213 62.300 -0.078 0.000 1.044 317 V CB -0.310 31.467 31.823 -0.075 0.000 0.688 317 V HN 0.619 nan 8.190 nan 0.000 0.462 318 T N -2.898 111.570 114.554 -0.143 0.000 3.054 318 T HA 0.042 4.393 4.350 0.002 0.000 0.259 318 T C 1.468 175.986 174.700 -0.304 0.000 1.092 318 T CA 1.198 63.212 62.100 -0.142 0.000 1.121 318 T CB 0.497 69.314 68.868 -0.084 0.000 0.912 318 T HN 0.213 nan 8.240 nan 0.000 0.489 319 V N 1.366 121.049 119.914 -0.386 0.000 2.996 319 V HA 0.200 4.321 4.120 0.002 0.000 0.235 319 V C 1.933 177.674 176.094 -0.588 0.000 1.205 319 V CA 0.622 62.659 62.300 -0.437 0.000 1.225 319 V CB -0.407 31.280 31.823 -0.227 0.000 0.995 319 V HN 0.363 nan 8.190 nan 0.000 0.484 320 N N -0.589 117.878 118.700 -0.388 0.000 2.494 320 N HA -0.045 4.696 4.740 0.002 0.000 0.182 320 N C 0.129 175.562 175.510 -0.128 0.000 1.076 320 N CA 0.490 53.406 53.050 -0.223 0.000 0.908 320 N CB -0.024 38.372 38.487 -0.152 0.000 0.967 320 N HN 0.461 nan 8.380 nan 0.000 0.449 321 H N -1.169 117.900 119.070 -0.002 0.000 2.862 321 H HA -0.142 4.415 4.556 0.002 0.000 0.290 321 H C -0.235 175.129 175.328 0.060 0.000 1.211 321 H CA 0.479 56.552 56.048 0.042 0.000 1.140 321 H CB -2.170 27.640 29.762 0.079 0.000 1.341 321 H HN 0.292 nan 8.280 nan 0.000 0.392 322 L N 0.544 121.804 121.223 0.060 0.000 2.472 322 L HA 0.047 4.389 4.340 0.002 0.000 0.260 322 L C 1.745 178.653 176.870 0.063 0.000 1.209 322 L CA 0.130 54.998 54.840 0.048 0.000 0.817 322 L CB 0.418 42.478 42.059 0.002 0.000 1.106 322 L HN 0.059 nan 8.230 nan 0.000 0.479 323 D N 0.205 120.651 120.400 0.076 0.000 2.271 323 D HA 0.146 4.787 4.640 0.002 0.000 0.206 323 D C 0.664 176.996 176.300 0.053 0.000 0.967 323 D CA 0.711 54.762 54.000 0.084 0.000 0.867 323 D CB 0.977 41.855 40.800 0.131 0.000 0.960 323 D HN 0.710 nan 8.370 nan 0.000 0.509 324 G N 0.003 108.836 108.800 0.054 0.000 2.441 324 G HA2 0.519 4.480 3.960 0.002 0.000 0.294 324 G HA3 0.519 4.480 3.960 0.002 0.000 0.294 324 G C -1.899 173.048 174.900 0.080 0.000 1.393 324 G CA -0.761 44.363 45.100 0.039 0.000 0.796 324 G HN 0.006 nan 8.290 nan 0.000 0.494 325 I N -0.525 120.115 120.570 0.115 0.000 2.569 325 I HA 0.322 4.493 4.170 0.002 0.000 0.290 325 I C -1.084 175.243 176.117 0.350 0.000 1.088 325 I CA -0.598 60.813 61.300 0.186 0.000 1.047 325 I CB 2.414 40.512 38.000 0.164 0.000 1.237 325 I HN 0.441 nan 8.210 nan 0.000 0.421 326 W N 4.863 126.191 121.300 0.047 0.000 2.565 326 W HA 0.250 4.911 4.660 0.002 0.000 0.325 326 W C 0.854 177.445 176.519 0.121 0.000 1.408 326 W CA -0.224 57.163 57.345 0.071 0.000 1.350 326 W CB 0.421 29.879 29.460 -0.002 0.000 1.426 326 W HN 0.280 nan 8.180 nan 0.000 0.538 327 T N 2.896 117.687 114.554 0.396 0.000 2.786 327 T HA 0.203 4.554 4.350 0.002 0.000 0.283 327 T C 0.520 175.366 174.700 0.244 0.000 0.992 327 T CA -0.677 61.662 62.100 0.399 0.000 0.954 327 T CB 0.799 70.107 68.868 0.734 0.000 0.934 327 T HN 0.276 nan 8.240 nan 0.000 0.440 328 D N 3.158 123.587 120.400 0.048 0.000 2.349 328 D HA 0.049 4.690 4.640 0.002 0.000 0.215 328 D C 1.149 177.221 176.300 -0.380 0.000 1.016 328 D CA 0.208 54.047 54.000 -0.269 0.000 0.870 328 D CB 0.365 40.784 40.800 -0.636 0.000 0.917 328 D HN 0.620 nan 8.370 nan 0.000 0.524 329 D N 0.183 120.584 120.400 0.001 0.000 2.149 329 D HA -0.163 4.478 4.640 0.002 0.000 0.198 329 D C 1.695 178.010 176.300 0.024 0.000 0.990 329 D CA 0.492 54.591 54.000 0.166 0.000 0.839 329 D CB -0.284 40.812 40.800 0.494 0.000 0.948 329 D HN 0.218 nan 8.370 nan 0.000 0.460 330 F N 1.266 121.098 119.950 -0.198 0.000 2.075 330 F HA -0.237 4.291 4.527 0.002 0.000 0.297 330 F C 2.449 178.090 175.800 -0.265 0.000 1.113 330 F CA 1.706 59.461 58.000 -0.408 0.000 1.218 330 F CB -0.404 37.877 39.000 -1.198 0.000 0.984 330 F HN 0.083 nan 8.300 nan 0.000 0.472 331 H N -0.498 118.461 119.070 -0.184 0.000 2.289 331 H HA -0.214 4.343 4.556 0.002 0.000 0.296 331 H C 2.227 177.517 175.328 -0.064 0.000 1.091 331 H CA 2.505 58.475 56.048 -0.129 0.000 1.274 331 H CB -0.705 29.039 29.762 -0.030 0.000 1.364 331 H HN 0.336 nan 8.280 nan 0.000 0.490 332 H N 0.437 119.433 119.070 -0.123 0.000 2.319 332 H HA -0.089 4.468 4.556 0.002 0.000 0.299 332 H C 2.433 177.516 175.328 -0.409 0.000 1.092 332 H CA 1.556 57.461 56.048 -0.237 0.000 1.302 332 H CB -0.540 28.778 29.762 -0.741 0.000 1.373 332 H HN 0.450 nan 8.280 nan 0.000 0.497 333 E N 0.121 120.119 120.200 -0.337 0.000 2.077 333 E HA -0.128 4.223 4.350 0.002 0.000 0.193 333 E C 2.142 178.609 176.600 -0.223 0.000 0.989 333 E CA 1.806 58.107 56.400 -0.165 0.000 0.800 333 E CB -0.094 29.563 29.700 -0.072 0.000 0.746 333 E HN 0.381 nan 8.360 nan 0.000 0.452 334 T N 0.094 114.408 114.554 -0.401 0.000 2.652 334 T HA -0.210 4.141 4.350 0.002 0.000 0.267 334 T C 1.875 176.434 174.700 -0.234 0.000 1.039 334 T CA 1.608 63.495 62.100 -0.354 0.000 1.153 334 T CB -0.324 68.224 68.868 -0.533 0.000 0.863 334 T HN 0.186 nan 8.240 nan 0.000 0.428 335 R N 0.523 120.842 120.500 -0.303 0.000 2.083 335 R HA -0.091 4.250 4.340 0.002 0.000 0.237 335 R C 2.357 178.527 176.300 -0.218 0.000 1.137 335 R CA 1.331 57.277 56.100 -0.257 0.000 0.951 335 R CB -0.564 29.540 30.300 -0.326 0.000 0.851 335 R HN 0.237 nan 8.270 nan 0.000 0.434 336 V N 0.550 120.366 119.914 -0.164 0.000 2.407 336 V HA -0.241 3.880 4.120 0.002 0.000 0.248 336 V C 2.203 178.235 176.094 -0.104 0.000 1.055 336 V CA 2.293 64.528 62.300 -0.107 0.000 1.049 336 V CB -0.632 31.217 31.823 0.043 0.000 0.662 336 V HN 0.495 nan 8.190 nan 0.000 0.455 337 T N 0.632 115.115 114.554 -0.118 0.000 2.665 337 T HA -0.191 4.160 4.350 0.002 0.000 0.268 337 T C 1.771 176.382 174.700 -0.148 0.000 1.035 337 T CA 1.776 63.785 62.100 -0.151 0.000 1.151 337 T CB -0.290 68.451 68.868 -0.213 0.000 0.862 337 T HN 0.347 nan 8.240 nan 0.000 0.438 338 L N 0.661 121.813 121.223 -0.119 0.000 2.341 338 L HA 0.058 4.399 4.340 0.002 0.000 0.214 338 L C 2.722 179.549 176.870 -0.072 0.000 1.115 338 L CA 1.337 56.135 54.840 -0.070 0.000 0.820 338 L CB -0.474 41.591 42.059 0.010 0.000 0.944 338 L HN 0.449 nan 8.230 nan 0.000 0.452 339 T N -5.629 108.861 114.554 -0.107 0.000 2.955 339 T HA 0.233 4.584 4.350 0.002 0.000 0.251 339 T C 1.520 176.154 174.700 -0.111 0.000 1.002 339 T CA 0.599 62.631 62.100 -0.113 0.000 0.970 339 T CB 0.899 69.671 68.868 -0.159 0.000 1.091 339 T HN 0.299 nan 8.240 nan 0.000 0.495 340 G N 2.636 111.369 108.800 -0.111 0.000 2.189 340 G HA2 -0.309 3.652 3.960 0.002 0.000 0.267 340 G HA3 -0.309 3.652 3.960 0.002 0.000 0.267 340 G C -0.045 174.798 174.900 -0.094 0.000 0.975 340 G CA 0.493 45.540 45.100 -0.087 0.000 0.644 340 G HN 1.124 nan 8.290 nan 0.000 0.537 341 E N -0.168 119.941 120.200 -0.151 0.000 2.418 341 E HA 0.397 4.748 4.350 0.002 0.000 0.261 341 E C 0.269 176.818 176.600 -0.084 0.000 1.070 341 E CA 0.076 56.381 56.400 -0.159 0.000 0.931 341 E CB 0.489 30.023 29.700 -0.278 0.000 0.954 341 E HN 0.253 nan 8.360 nan 0.000 0.439 342 Q N 0.655 120.434 119.800 -0.035 0.000 2.064 342 Q HA 0.122 4.463 4.340 0.002 0.000 0.213 342 Q C -0.828 175.179 176.000 0.012 0.000 0.779 342 Q CA -0.107 55.706 55.803 0.018 0.000 1.032 342 Q CB 0.963 29.694 28.738 -0.012 0.000 1.203 342 Q HN 0.537 nan 8.270 nan 0.000 0.457 343 E N 0.809 121.018 120.200 0.015 0.000 2.366 343 E HA 0.381 4.732 4.350 0.002 0.000 0.266 343 E C 1.049 177.603 176.600 -0.076 0.000 1.051 343 E CA 0.730 57.120 56.400 -0.017 0.000 0.884 343 E CB 0.596 30.292 29.700 -0.007 0.000 1.006 343 E HN 0.328 nan 8.360 nan 0.000 0.417 344 G N 2.626 111.353 108.800 -0.122 0.000 2.614 344 G HA2 -0.397 3.564 3.960 0.002 0.000 0.303 344 G HA3 -0.397 3.564 3.960 0.002 0.000 0.303 344 G C 0.777 175.546 174.900 -0.218 0.000 1.270 344 G CA 0.887 45.872 45.100 -0.192 0.000 0.988 344 G HN 0.700 nan 8.290 nan 0.000 0.551 345 Y N -1.011 119.213 120.300 -0.127 0.000 2.497 345 Y HA 0.212 4.763 4.550 0.001 0.000 0.292 345 Y C 2.497 178.342 175.900 -0.093 0.000 1.137 345 Y CA 1.429 59.487 58.100 -0.069 0.000 1.285 345 Y CB -0.814 37.671 38.460 0.042 0.000 0.991 345 Y HN 0.433 nan 8.280 nan 0.000 0.556 346 Y N 1.253 121.481 120.300 -0.119 0.000 2.333 346 Y HA -0.101 4.451 4.550 0.002 0.000 0.290 346 Y C 2.642 178.603 175.900 0.100 0.000 1.144 346 Y CA 0.563 58.696 58.100 0.054 0.000 1.228 346 Y CB -0.922 37.465 38.460 -0.121 0.000 0.985 346 Y HN 0.317 nan 8.280 nan 0.000 0.542 347 A N 0.095 122.942 122.820 0.045 0.000 2.131 347 A HA -0.111 4.210 4.320 0.002 0.000 0.220 347 A C 2.486 179.931 177.584 -0.231 0.000 1.158 347 A CA 1.460 53.444 52.037 -0.089 0.000 0.665 347 A CB -1.270 17.629 19.000 -0.168 0.000 0.795 347 A HN 0.455 nan 8.150 nan 0.000 0.460 348 G N -2.254 106.319 108.800 -0.379 0.000 2.848 348 G HA2 0.273 4.234 3.960 0.002 0.000 0.208 348 G HA3 0.273 4.234 3.960 0.002 0.000 0.208 348 G C 0.058 174.556 174.900 -0.671 0.000 1.152 348 G CA 0.279 44.887 45.100 -0.820 0.000 0.789 348 G HN 0.478 nan 8.290 nan 0.000 0.531 349 Y N -2.325 118.042 120.300 0.112 0.000 2.492 349 Y HA 0.469 5.020 4.550 0.002 0.000 0.346 349 Y C 0.976 176.912 175.900 0.060 0.000 0.997 349 Y CA -1.226 56.966 58.100 0.154 0.000 1.025 349 Y CB 1.787 40.385 38.460 0.231 0.000 1.263 349 Y HN -0.149 nan 8.280 nan 0.000 0.454 350 R N 1.676 122.265 120.500 0.148 0.000 2.112 350 R HA 0.342 4.683 4.340 0.002 0.000 0.216 350 R C 0.605 176.931 176.300 0.043 0.000 1.080 350 R CA 1.125 57.256 56.100 0.051 0.000 0.996 350 R CB -0.150 30.144 30.300 -0.009 0.000 0.902 350 R HN 1.063 nan 8.270 nan 0.000 0.449 351 G N -0.487 108.354 108.800 0.068 0.000 2.829 351 G HA2 0.159 4.120 3.960 0.002 0.000 0.628 351 G HA3 0.159 4.120 3.960 0.002 0.000 0.628 351 G C 0.048 174.905 174.900 -0.072 0.000 1.412 351 G CA -0.400 44.694 45.100 -0.010 0.000 0.864 351 G HN 0.927 nan 8.290 nan 0.000 0.544 352 G N -2.116 106.608 108.800 -0.126 0.000 2.541 352 G HA2 0.492 4.453 3.960 0.002 0.000 0.686 352 G HA3 0.492 4.453 3.960 0.002 0.000 0.686 352 G C 1.079 175.871 174.900 -0.180 0.000 1.286 352 G CA 0.899 45.900 45.100 -0.165 0.000 0.894 352 G HN 2.444 nan 8.290 nan 0.000 0.575 353 A N -0.420 122.284 122.820 -0.193 0.000 1.877 353 A HA 0.015 4.336 4.320 0.002 0.000 0.216 353 A C 2.130 179.591 177.584 -0.205 0.000 1.186 353 A CA 2.542 54.484 52.037 -0.158 0.000 0.620 353 A CB -0.596 18.361 19.000 -0.071 0.000 0.822 353 A HN 1.158 nan 8.150 nan 0.000 0.443 354 E N -0.145 119.800 120.200 -0.424 0.000 2.058 354 E HA -0.168 4.183 4.350 0.002 0.000 0.194 354 E C 2.163 178.637 176.600 -0.210 0.000 0.997 354 E CA 1.216 57.259 56.400 -0.595 0.000 0.801 354 E CB -0.286 28.922 29.700 -0.819 0.000 0.746 354 E HN 0.520 nan 8.360 nan 0.000 0.450 355 A N 0.996 123.728 122.820 -0.147 0.000 1.902 355 A HA -0.147 4.175 4.320 0.002 0.000 0.217 355 A C 2.237 179.850 177.584 0.047 0.000 1.181 355 A CA 1.150 53.170 52.037 -0.028 0.000 0.623 355 A CB -0.640 18.349 19.000 -0.019 0.000 0.818 355 A HN 0.326 nan 8.150 nan 0.000 0.443 356 L N -0.864 120.351 121.223 -0.014 0.000 2.056 356 L HA -0.183 4.158 4.340 0.002 0.000 0.207 356 L C 3.133 180.034 176.870 0.052 0.000 1.078 356 L CA 0.990 55.839 54.840 0.014 0.000 0.749 356 L CB -0.526 41.524 42.059 -0.014 0.000 0.901 356 L HN 0.444 nan 8.230 nan 0.000 0.433 357 A N -0.626 122.193 122.820 -0.001 0.000 1.892 357 A HA -0.324 3.997 4.320 0.002 0.000 0.218 357 A C 2.179 179.764 177.584 0.002 0.000 1.188 357 A CA 2.001 54.010 52.037 -0.046 0.000 0.631 357 A CB -0.999 17.924 19.000 -0.127 0.000 0.822 357 A HN 0.494 nan 8.150 nan 0.000 0.447 358 Y N 0.871 121.138 120.300 -0.056 0.000 2.133 358 Y HA -0.178 4.373 4.550 0.002 0.000 0.287 358 Y C 2.774 178.679 175.900 0.009 0.000 1.134 358 Y CA 2.424 60.506 58.100 -0.029 0.000 1.133 358 Y CB -0.675 37.767 38.460 -0.031 0.000 0.987 358 Y HN 0.306 nan 8.280 nan 0.000 0.502 359 T N 1.281 115.943 114.554 0.181 0.000 2.720 359 T HA -0.218 4.133 4.350 0.002 0.000 0.268 359 T C 1.943 176.675 174.700 0.053 0.000 1.037 359 T CA 2.101 64.293 62.100 0.153 0.000 1.144 359 T CB -0.489 68.519 68.868 0.233 0.000 0.864 359 T HN 0.351 nan 8.240 nan 0.000 0.444 360 I N 1.423 122.041 120.570 0.080 0.000 2.179 360 I HA -0.208 3.963 4.170 0.002 0.000 0.242 360 I C 2.717 178.758 176.117 -0.127 0.000 1.088 360 I CA 1.475 62.813 61.300 0.063 0.000 1.357 360 I CB -0.411 37.663 38.000 0.124 0.000 1.051 360 I HN 0.283 nan 8.210 nan 0.000 0.409 361 R N 0.750 121.145 120.500 -0.176 0.000 2.189 361 R HA -0.053 4.288 4.340 0.002 0.000 0.223 361 R C 1.737 177.850 176.300 -0.312 0.000 1.092 361 R CA 0.910 56.872 56.100 -0.230 0.000 0.989 361 R CB -0.185 29.990 30.300 -0.208 0.000 0.876 361 R HN 0.171 nan 8.270 nan 0.000 0.457 362 R N -0.039 120.227 120.500 -0.390 0.000 2.334 362 R HA 0.236 4.577 4.340 0.002 0.000 0.216 362 R C 1.331 177.377 176.300 -0.423 0.000 0.905 362 R CA 0.579 56.456 56.100 -0.373 0.000 1.064 362 R CB 0.492 30.536 30.300 -0.426 0.000 1.046 362 R HN 0.554 nan 8.270 nan 0.000 0.508 363 G N 1.011 109.493 108.800 -0.530 0.000 3.444 363 G HA2 -0.301 3.660 3.960 0.002 0.000 0.222 363 G HA3 -0.301 3.660 3.960 0.002 0.000 0.222 363 G C -0.209 174.512 174.900 -0.297 0.000 1.358 363 G CA 0.675 45.133 45.100 -1.069 0.000 0.880 363 G HN 0.376 nan 8.290 nan 0.000 0.555 364 W N -0.587 120.762 121.300 0.082 0.000 2.975 364 W HA 0.884 5.545 4.660 0.002 0.000 0.342 364 W C 0.635 177.273 176.519 0.198 0.000 1.168 364 W CA -1.037 56.447 57.345 0.232 0.000 1.141 364 W CB 0.722 30.385 29.460 0.338 0.000 1.445 364 W HN 0.271 nan 8.180 nan 0.000 0.560 365 R N -0.099 120.768 120.500 0.611 0.000 2.066 365 R HA 0.103 4.444 4.340 0.002 0.000 0.224 365 R C -0.303 176.181 176.300 0.307 0.000 1.122 365 R CA 0.657 57.024 56.100 0.444 0.000 0.974 365 R CB -0.374 30.162 30.300 0.394 0.000 0.871 365 R HN 0.531 nan 8.270 nan 0.000 0.435 366 Y N 1.591 122.085 120.300 0.324 0.000 2.504 366 Y HA 0.146 4.697 4.550 0.002 0.000 0.351 366 Y C -0.024 175.948 175.900 0.121 0.000 0.988 366 Y CA -0.042 58.146 58.100 0.148 0.000 1.239 366 Y CB 1.381 39.836 38.460 -0.009 0.000 1.128 366 Y HN 0.160 nan 8.280 nan 0.000 0.525 367 E N 2.231 122.591 120.200 0.268 0.000 2.685 367 E HA 0.275 4.626 4.350 0.002 0.000 0.208 367 E C 1.100 177.776 176.600 0.125 0.000 0.996 367 E CA 0.231 56.803 56.400 0.287 0.000 1.054 367 E CB 0.679 30.585 29.700 0.343 0.000 1.075 367 E HN 1.019 nan 8.360 nan 0.000 0.460 368 G N 1.574 110.407 108.800 0.056 0.000 2.485 368 G HA2 -0.211 3.750 3.960 0.002 0.000 0.181 368 G HA3 -0.211 3.750 3.960 0.002 0.000 0.181 368 G C 0.317 175.256 174.900 0.065 0.000 0.999 368 G CA -0.386 44.710 45.100 -0.006 0.000 0.721 368 G HN 0.210 nan 8.290 nan 0.000 0.486 369 Q N 0.559 120.434 119.800 0.124 0.000 2.382 369 Q HA 0.518 4.859 4.340 0.002 0.000 0.229 369 Q C -0.280 175.880 176.000 0.267 0.000 1.006 369 Q CA -0.728 55.173 55.803 0.163 0.000 0.916 369 Q CB 1.019 29.811 28.738 0.090 0.000 1.235 369 Q HN 0.383 nan 8.270 nan 0.000 0.512 370 F N 2.186 122.201 119.950 0.109 0.000 2.578 370 F HA 0.083 4.611 4.527 0.001 0.000 0.381 370 F C -0.307 175.623 175.800 0.217 0.000 1.069 370 F CA -0.201 57.859 58.000 0.100 0.000 1.231 370 F CB 0.401 39.430 39.000 0.049 0.000 1.086 370 F HN 0.558 nan 8.300 nan 0.000 0.564 371 W N 8.074 128.922 121.300 -0.753 0.000 2.308 371 W HA 0.507 5.168 4.660 0.001 0.000 0.311 371 W C -0.639 175.374 176.519 -0.844 0.000 1.088 371 W CA -0.693 56.222 57.345 -0.717 0.000 1.309 371 W CB 1.563 30.484 29.460 -0.899 0.000 1.229 371 W HN 0.698 nan 8.180 nan 0.000 0.427 372 A N 5.511 127.930 122.820 -0.669 0.000 2.345 372 A HA 0.173 4.494 4.320 0.002 0.000 0.225 372 A C 0.282 177.609 177.584 -0.428 0.000 1.243 372 A CA -0.090 51.720 52.037 -0.378 0.000 0.875 372 A CB -0.283 18.708 19.000 -0.014 0.000 0.929 372 A HN 0.305 nan 8.150 nan 0.000 0.502 373 V N 2.007 121.433 119.914 -0.813 0.000 2.509 373 V HA -0.045 4.076 4.120 0.002 0.000 0.297 373 V C 0.587 176.520 176.094 -0.268 0.000 1.014 373 V CA 0.323 62.251 62.300 -0.619 0.000 1.127 373 V CB -0.075 31.223 31.823 -0.875 0.000 0.925 373 V HN 0.448 nan 8.190 nan 0.000 0.480 374 K N 4.040 124.341 120.400 -0.165 0.000 2.451 374 K HA 0.348 4.669 4.320 0.002 0.000 0.280 374 K C 1.280 177.854 176.600 -0.043 0.000 1.020 374 K CA 0.882 57.123 56.287 -0.075 0.000 1.008 374 K CB 0.369 32.834 32.500 -0.058 0.000 0.917 374 K HN 1.059 nan 8.250 nan 0.000 0.478 375 G N 2.697 111.489 108.800 -0.012 0.000 2.217 375 G HA2 -0.281 3.680 3.960 0.002 0.000 0.246 375 G HA3 -0.281 3.680 3.960 0.002 0.000 0.246 375 G C 0.406 175.322 174.900 0.026 0.000 0.990 375 G CA 0.202 45.303 45.100 0.001 0.000 0.627 375 G HN 0.709 nan 8.290 nan 0.000 0.522 376 E N 0.059 120.294 120.200 0.058 0.000 2.759 376 E HA 0.195 4.546 4.350 0.002 0.000 0.220 376 E C -0.283 176.479 176.600 0.270 0.000 0.974 376 E CA -0.304 56.191 56.400 0.158 0.000 1.148 376 E CB 0.568 30.460 29.700 0.320 0.000 1.059 376 E HN 0.560 nan 8.360 nan 0.000 0.493 377 E N 2.799 123.065 120.200 0.110 0.000 2.480 377 E HA -0.017 4.334 4.350 0.002 0.000 0.258 377 E C 0.014 176.678 176.600 0.108 0.000 0.984 377 E CA 0.747 57.125 56.400 -0.037 0.000 0.930 377 E CB 0.129 29.883 29.700 0.091 0.000 0.936 377 E HN 0.246 nan 8.360 nan 0.000 0.466 378 H N 0.443 119.326 119.070 -0.313 0.000 2.904 378 H HA 0.257 4.814 4.556 0.002 0.000 0.290 378 H C -1.079 174.186 175.328 -0.105 0.000 1.437 378 H CA -1.117 54.880 56.048 -0.085 0.000 1.147 378 H CB 0.451 30.193 29.762 -0.033 0.000 1.824 378 H HN 0.412 nan 8.280 nan 0.000 0.505 379 E N 1.446 121.637 120.200 -0.015 0.000 2.129 379 E HA 0.220 4.571 4.350 0.002 0.000 0.283 379 E C -0.090 176.372 176.600 -0.230 0.000 1.080 379 E CA -0.352 56.019 56.400 -0.048 0.000 0.867 379 E CB 1.496 31.253 29.700 0.095 0.000 1.056 379 E HN 0.253 nan 8.360 nan 0.000 0.404 380 R N 2.663 122.943 120.500 -0.367 0.000 2.294 380 R HA 0.478 4.819 4.340 0.002 0.000 0.319 380 R C 0.089 176.273 176.300 -0.194 0.000 0.984 380 R CA 0.306 56.161 56.100 -0.407 0.000 0.861 380 R CB 0.853 30.732 30.300 -0.703 0.000 1.104 380 R HN 0.706 nan 8.270 nan 0.000 0.451 381 G N 2.141 110.778 108.800 -0.270 0.000 2.710 381 G HA2 -0.180 3.781 3.960 0.002 0.000 0.668 381 G HA3 -0.180 3.781 3.960 0.002 0.000 0.668 381 G C -1.523 173.098 174.900 -0.465 0.000 1.320 381 G CA -0.668 44.263 45.100 -0.281 0.000 0.860 381 G HN 0.763 nan 8.290 nan 0.000 0.538 382 H N -0.509 118.613 119.070 0.087 0.000 2.980 382 H HA 0.594 5.151 4.556 0.002 0.000 0.367 382 H C -2.524 173.036 175.328 0.387 0.000 1.206 382 H CA -1.209 54.955 56.048 0.194 0.000 1.126 382 H CB 1.953 31.806 29.762 0.151 0.000 1.838 382 H HN 0.539 nan 8.280 nan 0.000 0.552 383 P HA -0.039 nan 4.420 nan 0.000 0.262 383 P C 0.384 177.884 177.300 0.334 0.000 1.182 383 P CA 0.266 63.555 63.100 0.315 0.000 0.761 383 P CB 0.627 32.443 31.700 0.194 0.000 0.795 384 S N 0.561 116.383 115.700 0.204 0.000 2.593 384 S HA -0.024 4.447 4.470 0.002 0.000 0.217 384 S C 0.943 175.512 174.600 -0.051 0.000 0.966 384 S CA 0.270 58.426 58.200 -0.074 0.000 0.914 384 S CB -0.711 62.183 63.200 -0.509 0.000 0.776 384 S HN 0.238 nan 8.310 nan 0.000 0.523 385 D N 3.112 123.518 120.400 0.010 0.000 2.149 385 D HA -0.027 4.614 4.640 0.002 0.000 0.198 385 D C 2.086 178.379 176.300 -0.012 0.000 0.990 385 D CA 1.496 55.495 54.000 -0.002 0.000 0.839 385 D CB -0.437 40.373 40.800 0.016 0.000 0.948 385 D HN 0.604 nan 8.370 nan 0.000 0.460 386 A N 0.106 122.919 122.820 -0.012 0.000 2.067 386 A HA -0.000 4.321 4.320 0.002 0.000 0.219 386 A C 1.011 178.556 177.584 -0.064 0.000 1.158 386 A CA 0.468 52.489 52.037 -0.028 0.000 0.661 386 A CB -0.421 18.567 19.000 -0.020 0.000 0.801 386 A HN 0.177 nan 8.150 nan 0.000 0.452 387 L N 0.335 121.490 121.223 -0.113 0.000 2.371 387 L HA 0.383 4.724 4.340 0.002 0.000 0.272 387 L C 0.308 177.144 176.870 -0.057 0.000 1.124 387 L CA -0.559 54.151 54.840 -0.217 0.000 0.816 387 L CB 0.886 42.560 42.059 -0.642 0.000 1.129 387 L HN 0.220 nan 8.230 nan 0.000 0.448 388 E N 1.112 121.270 120.200 -0.069 0.000 2.232 388 E HA 0.429 4.780 4.350 0.002 0.000 0.265 388 E C 0.544 177.194 176.600 0.084 0.000 1.001 388 E CA 0.089 56.495 56.400 0.009 0.000 0.870 388 E CB 1.809 31.493 29.700 -0.027 0.000 1.175 388 E HN 0.539 nan 8.360 nan 0.000 0.407 389 A N 3.012 125.869 122.820 0.062 0.000 1.903 389 A HA -0.130 4.191 4.320 0.002 0.000 0.219 389 A C -0.809 176.796 177.584 0.035 0.000 1.191 389 A CA 1.969 54.032 52.037 0.044 0.000 0.638 389 A CB -1.759 17.192 19.000 -0.081 0.000 0.823 389 A HN 0.661 nan 8.150 nan 0.000 0.451 390 P HA -0.080 nan 4.420 nan 0.000 0.222 390 P C 0.818 178.099 177.300 -0.032 0.000 1.147 390 P CA 0.942 64.020 63.100 -0.036 0.000 0.790 390 P CB -0.158 31.520 31.700 -0.035 0.000 0.780 391 N N -0.940 117.704 118.700 -0.093 0.000 2.453 391 N HA -0.060 4.681 4.740 0.002 0.000 0.183 391 N C 0.097 175.440 175.510 -0.278 0.000 1.041 391 N CA 0.760 53.683 53.050 -0.213 0.000 0.900 391 N CB -0.342 37.910 38.487 -0.391 0.000 0.961 391 N HN 0.240 nan 8.380 nan 0.000 0.443 392 F N 0.608 120.484 119.950 -0.124 0.000 2.405 392 F HA 0.285 4.813 4.527 0.002 0.000 0.355 392 F C 0.372 176.092 175.800 -0.135 0.000 1.121 392 F CA -0.799 57.130 58.000 -0.118 0.000 1.112 392 F CB 1.153 39.953 39.000 -0.334 0.000 1.126 392 F HN -0.374 nan 8.300 nan 0.000 0.481 393 V N 4.832 124.860 119.914 0.191 0.000 2.370 393 V HA 0.249 4.370 4.120 0.002 0.000 0.279 393 V C -0.530 175.671 176.094 0.179 0.000 1.029 393 V CA -0.767 61.587 62.300 0.090 0.000 0.870 393 V CB 0.422 32.246 31.823 0.001 0.000 0.984 393 V HN 0.446 nan 8.190 nan 0.000 0.451 394 Y N 3.608 123.829 120.300 -0.132 0.000 2.457 394 Y HA 0.772 5.323 4.550 0.002 0.000 0.333 394 Y C 0.427 176.248 175.900 -0.132 0.000 1.119 394 Y CA -1.614 56.380 58.100 -0.177 0.000 1.143 394 Y CB 1.873 40.023 38.460 -0.517 0.000 1.230 394 Y HN 0.907 nan 8.280 nan 0.000 0.469 395 C N 1.601 120.992 119.300 0.151 0.000 3.311 395 C HA 0.629 5.090 4.460 0.002 0.000 0.325 395 C C 0.686 175.859 174.990 0.305 0.000 1.352 395 C CA -1.047 58.051 59.018 0.133 0.000 1.308 395 C CB 0.543 28.250 27.740 -0.055 0.000 1.619 395 C HN 0.905 nan 8.230 nan 0.000 0.469 396 I N -1.970 118.750 120.570 0.249 0.000 4.057 396 I HA 0.330 4.501 4.170 0.002 0.000 0.334 396 I C -0.105 176.207 176.117 0.325 0.000 1.308 396 I CA 0.479 61.930 61.300 0.253 0.000 1.125 396 I CB -0.084 37.991 38.000 0.125 0.000 1.034 396 I HN 0.678 nan 8.210 nan 0.000 0.401 397 Q N 2.682 122.611 119.800 0.215 0.000 2.320 397 Q HA 0.425 4.766 4.340 0.002 0.000 0.272 397 Q C -1.600 174.369 176.000 -0.052 0.000 1.023 397 Q CA -0.385 55.481 55.803 0.106 0.000 0.855 397 Q CB 2.630 31.446 28.738 0.130 0.000 1.367 397 Q HN 0.581 nan 8.270 nan 0.000 0.406 398 N N -1.142 117.411 118.700 -0.244 0.000 3.039 398 N HA 0.171 4.912 4.740 0.002 0.000 0.257 398 N C 0.745 175.828 175.510 -0.713 0.000 1.497 398 N CA -0.472 52.376 53.050 -0.337 0.000 0.861 398 N CB 0.101 38.443 38.487 -0.242 0.000 1.479 398 N HN 0.568 nan 8.380 nan 0.000 0.547 399 H N -1.299 117.413 119.070 -0.597 0.000 2.353 399 H HA -0.087 4.470 4.556 0.002 0.000 0.298 399 H C -0.118 175.001 175.328 -0.348 0.000 1.103 399 H CA 1.807 57.394 56.048 -0.768 0.000 1.293 399 H CB -0.284 29.190 29.762 -0.480 0.000 1.372 399 H HN 0.558 nan 8.280 nan 0.000 0.501 400 D N 0.727 120.755 120.400 -0.620 0.000 2.123 400 D HA -0.086 4.555 4.640 0.002 0.000 0.200 400 D C 2.326 178.607 176.300 -0.031 0.000 0.976 400 D CA 0.734 54.634 54.000 -0.167 0.000 0.831 400 D CB -0.005 40.646 40.800 -0.249 0.000 0.974 400 D HN 0.375 nan 8.370 nan 0.000 0.469 401 Q N -0.105 119.601 119.800 -0.156 0.000 2.436 401 Q HA 0.044 4.385 4.340 0.002 0.000 0.209 401 Q C 2.126 178.168 176.000 0.070 0.000 0.965 401 Q CA 0.327 56.112 55.803 -0.030 0.000 0.910 401 Q CB 0.474 29.020 28.738 -0.321 0.000 0.980 401 Q HN 0.448 nan 8.270 nan 0.000 0.491 402 I N -1.131 119.422 120.570 -0.028 0.000 2.900 402 I HA 0.030 4.201 4.170 0.002 0.000 0.251 402 I C 2.120 178.346 176.117 0.182 0.000 1.102 402 I CA 0.783 62.103 61.300 0.033 0.000 1.457 402 I CB -0.373 37.558 38.000 -0.116 0.000 1.285 402 I HN 0.105 nan 8.210 nan 0.000 0.459 403 G N 1.771 110.761 108.800 0.317 0.000 2.471 403 G HA2 -0.235 3.726 3.960 0.002 0.000 0.219 403 G HA3 -0.235 3.726 3.960 0.002 0.000 0.219 403 G C 1.244 176.443 174.900 0.498 0.000 1.125 403 G CA 0.916 46.395 45.100 0.631 0.000 0.775 403 G HN 0.503 nan 8.290 nan 0.000 0.548 404 N N 0.441 119.360 118.700 0.366 0.000 2.512 404 N HA -0.040 4.701 4.740 0.002 0.000 0.183 404 N C 0.907 176.566 175.510 0.249 0.000 1.073 404 N CA 0.061 53.282 53.050 0.284 0.000 0.911 404 N CB -0.213 38.424 38.487 0.250 0.000 0.964 404 N HN 0.227 nan 8.380 nan 0.000 0.447 405 R N 0.828 121.408 120.500 0.134 0.000 2.490 405 R HA 0.170 4.511 4.340 0.002 0.000 0.280 405 R C -1.432 174.679 176.300 -0.315 0.000 1.077 405 R CA -1.537 54.538 56.100 -0.042 0.000 1.065 405 R CB 0.375 30.674 30.300 -0.002 0.000 1.003 405 R HN 0.109 nan 8.270 nan 0.000 0.470 406 P HA -0.172 nan 4.420 nan 0.000 0.216 406 P C 0.754 177.826 177.300 -0.381 0.000 1.150 406 P CA 1.580 64.049 63.100 -1.052 0.000 0.843 406 P CB 0.174 31.282 31.700 -0.987 0.000 0.787 407 L N -2.509 118.587 121.223 -0.211 0.000 2.640 407 L HA 0.351 4.692 4.340 0.002 0.000 0.230 407 L C 1.232 178.097 176.870 -0.008 0.000 1.123 407 L CA 0.312 55.103 54.840 -0.082 0.000 0.900 407 L CB -0.808 41.209 42.059 -0.071 0.000 1.146 407 L HN 0.057 nan 8.230 nan 0.000 0.484 408 G N 1.895 110.703 108.800 0.014 0.000 2.305 408 G HA2 -0.286 3.675 3.960 0.002 0.000 0.287 408 G HA3 -0.286 3.675 3.960 0.002 0.000 0.287 408 G C 0.295 175.248 174.900 0.088 0.000 1.036 408 G CA 0.577 45.741 45.100 0.107 0.000 0.887 408 G HN 0.563 nan 8.290 nan 0.000 0.505 409 E N 0.301 120.515 120.200 0.023 0.000 2.343 409 E HA 0.443 4.794 4.350 0.002 0.000 0.269 409 E C 0.565 177.154 176.600 -0.018 0.000 1.047 409 E CA -0.585 55.806 56.400 -0.015 0.000 0.874 409 E CB 0.996 30.658 29.700 -0.063 0.000 1.033 409 E HN 0.487 nan 8.360 nan 0.000 0.409 410 R N 1.118 121.575 120.500 -0.073 0.000 2.583 410 R HA 0.133 4.474 4.340 0.002 0.000 0.268 410 R C 1.283 177.531 176.300 -0.087 0.000 1.101 410 R CA -0.650 55.425 56.100 -0.042 0.000 1.180 410 R CB 0.292 30.584 30.300 -0.013 0.000 1.128 410 R HN 0.484 nan 8.270 nan 0.000 0.568 411 L N 1.596 122.890 121.223 0.119 0.000 2.017 411 L HA -0.196 4.145 4.340 0.002 0.000 0.208 411 L C 2.093 178.999 176.870 0.060 0.000 1.073 411 L CA 2.110 57.046 54.840 0.161 0.000 0.745 411 L CB -0.758 41.526 42.059 0.375 0.000 0.894 411 L HN 0.813 nan 8.230 nan 0.000 0.432 412 H N -2.490 116.478 119.070 -0.169 0.000 2.545 412 H HA -0.020 4.537 4.556 0.002 0.000 0.282 412 H C 1.702 176.937 175.328 -0.155 0.000 1.020 412 H CA 1.013 56.882 56.048 -0.299 0.000 1.243 412 H CB -0.407 28.859 29.762 -0.827 0.000 1.377 412 H HN 0.542 nan 8.280 nan 0.000 0.581 413 Q N 0.630 120.110 119.800 -0.533 0.000 2.408 413 Q HA 0.173 4.514 4.340 0.002 0.000 0.205 413 Q C 0.226 176.125 176.000 -0.168 0.000 0.919 413 Q CA -0.047 55.549 55.803 -0.345 0.000 0.932 413 Q CB 0.741 29.251 28.738 -0.379 0.000 1.058 413 Q HN 0.287 nan 8.270 nan 0.000 0.517 414 S N 1.608 117.230 115.700 -0.129 0.000 2.576 414 S HA 0.031 4.502 4.470 0.002 0.000 0.276 414 S C -0.253 174.306 174.600 -0.069 0.000 1.339 414 S CA -0.479 57.669 58.200 -0.087 0.000 1.039 414 S CB 0.475 63.629 63.200 -0.075 0.000 0.902 414 S HN 0.139 nan 8.310 nan 0.000 0.516 415 D N 1.226 121.587 120.400 -0.066 0.000 2.487 415 D HA 0.357 4.998 4.640 0.002 0.000 0.243 415 D C 1.268 177.540 176.300 -0.047 0.000 1.154 415 D CA 1.587 55.555 54.000 -0.053 0.000 0.876 415 D CB 0.495 41.264 40.800 -0.053 0.000 1.161 415 D HN 0.786 nan 8.370 nan 0.000 0.478 416 G N 1.379 110.158 108.800 -0.035 0.000 2.308 416 G HA2 -0.273 3.688 3.960 0.002 0.000 0.221 416 G HA3 -0.273 3.688 3.960 0.002 0.000 0.221 416 G C 0.370 175.265 174.900 -0.008 0.000 1.032 416 G CA -0.008 45.076 45.100 -0.026 0.000 0.623 416 G HN 0.548 nan 8.290 nan 0.000 0.506 417 V N 3.528 123.442 119.914 0.000 0.000 2.529 417 V HA 0.462 4.583 4.120 0.002 0.000 0.292 417 V C 1.307 177.438 176.094 0.061 0.000 1.028 417 V CA 0.733 63.060 62.300 0.045 0.000 1.074 417 V CB 0.741 32.603 31.823 0.066 0.000 0.958 417 V HN 0.884 nan 8.190 nan 0.000 0.481 418 T N 2.722 117.332 114.554 0.093 0.000 2.902 418 T HA 0.481 4.832 4.350 0.002 0.000 0.280 418 T C 1.077 175.882 174.700 0.175 0.000 0.992 418 T CA -0.729 61.422 62.100 0.086 0.000 1.015 418 T CB 1.121 70.018 68.868 0.048 0.000 1.044 418 T HN 0.320 nan 8.240 nan 0.000 0.520 419 L N 0.374 121.689 121.223 0.153 0.000 2.191 419 L HA -0.092 4.249 4.340 0.002 0.000 0.212 419 L C 2.802 179.914 176.870 0.402 0.000 1.103 419 L CA 1.383 56.375 54.840 0.253 0.000 0.769 419 L CB -0.639 41.534 42.059 0.189 0.000 0.908 419 L HN 0.848 nan 8.230 nan 0.000 0.438 420 H N -0.532 118.646 119.070 0.181 0.000 2.321 420 H HA -0.171 4.386 4.556 0.002 0.000 0.300 420 H C 2.096 177.571 175.328 0.245 0.000 1.087 420 H CA 1.274 57.435 56.048 0.187 0.000 1.319 420 H CB 0.230 30.087 29.762 0.159 0.000 1.379 420 H HN 0.426 nan 8.280 nan 0.000 0.501 421 E N 0.342 120.790 120.200 0.412 0.000 2.077 421 E HA -0.216 4.135 4.350 0.002 0.000 0.193 421 E C 1.942 178.811 176.600 0.447 0.000 0.989 421 E CA 0.993 57.670 56.400 0.463 0.000 0.800 421 E CB -0.160 29.745 29.700 0.343 0.000 0.746 421 E HN 0.436 nan 8.360 nan 0.000 0.452 422 Y N 1.716 122.155 120.300 0.232 0.000 2.165 422 Y HA -0.221 4.330 4.550 0.002 0.000 0.286 422 Y C 2.135 178.094 175.900 0.098 0.000 1.155 422 Y CA 1.655 59.861 58.100 0.176 0.000 1.164 422 Y CB 0.052 38.620 38.460 0.179 0.000 0.978 422 Y HN -0.146 nan 8.280 nan 0.000 0.513 423 R N -0.683 119.925 120.500 0.179 0.000 2.092 423 R HA -0.102 4.239 4.340 0.002 0.000 0.231 423 R C 2.555 178.720 176.300 -0.225 0.000 1.119 423 R CA 0.998 57.085 56.100 -0.021 0.000 0.970 423 R CB -0.854 29.487 30.300 0.068 0.000 0.864 423 R HN 0.509 nan 8.270 nan 0.000 0.440 424 G N 0.829 109.505 108.800 -0.206 0.000 2.418 424 G HA2 -0.270 3.691 3.960 0.002 0.000 0.217 424 G HA3 -0.270 3.691 3.960 0.002 0.000 0.217 424 G C 1.546 175.675 174.900 -1.285 0.000 1.158 424 G CA 0.794 45.469 45.100 -0.709 0.000 0.771 424 G HN 0.400 nan 8.290 nan 0.000 0.545 425 A N 1.141 123.426 122.820 -0.891 0.000 1.933 425 A HA 0.271 4.592 4.320 0.002 0.000 0.218 425 A C 2.806 180.090 177.584 -0.500 0.000 1.175 425 A CA 2.196 53.769 52.037 -0.774 0.000 0.628 425 A CB -0.732 18.170 19.000 -0.164 0.000 0.814 425 A HN 0.767 nan 8.150 nan 0.000 0.444 426 A N -0.069 122.468 122.820 -0.472 0.000 1.902 426 A HA 0.148 4.469 4.320 0.002 0.000 0.217 426 A C 2.514 179.828 177.584 -0.450 0.000 1.181 426 A CA 2.117 53.867 52.037 -0.479 0.000 0.623 426 A CB -1.031 17.519 19.000 -0.750 0.000 0.818 426 A HN 1.051 nan 8.150 nan 0.000 0.443 427 A N -0.500 122.039 122.820 -0.469 0.000 1.902 427 A HA -0.037 4.284 4.320 0.002 0.000 0.217 427 A C 2.143 179.551 177.584 -0.294 0.000 1.181 427 A CA 1.770 53.587 52.037 -0.367 0.000 0.623 427 A CB -0.670 18.116 19.000 -0.357 0.000 0.818 427 A HN 0.679 nan 8.150 nan 0.000 0.443 428 L N -0.673 120.328 121.223 -0.370 0.000 1.970 428 L HA -0.153 4.188 4.340 0.002 0.000 0.212 428 L C 2.286 179.129 176.870 -0.045 0.000 1.071 428 L CA 2.261 57.002 54.840 -0.164 0.000 0.751 428 L CB -0.753 41.222 42.059 -0.140 0.000 0.889 428 L HN 0.352 nan 8.230 nan 0.000 0.432 429 L N -0.578 120.627 121.223 -0.030 0.000 2.013 429 L HA -0.220 4.121 4.340 0.002 0.000 0.212 429 L C 2.182 179.003 176.870 -0.081 0.000 1.073 429 L CA 2.019 56.853 54.840 -0.009 0.000 0.753 429 L CB -0.646 41.431 42.059 0.029 0.000 0.890 429 L HN 0.337 nan 8.230 nan 0.000 0.432 430 L N -1.184 119.965 121.223 -0.123 0.000 2.554 430 L HA 0.009 4.350 4.340 0.002 0.000 0.226 430 L C 1.750 178.560 176.870 -0.100 0.000 1.137 430 L CA 0.908 55.678 54.840 -0.116 0.000 0.863 430 L CB -0.717 41.247 42.059 -0.157 0.000 0.985 430 L HN 0.475 nan 8.230 nan 0.000 0.451 431 T N -3.658 110.839 114.554 -0.096 0.000 3.040 431 T HA 0.249 4.600 4.350 0.002 0.000 0.250 431 T C 0.676 175.338 174.700 -0.063 0.000 1.058 431 T CA -0.215 61.841 62.100 -0.073 0.000 0.988 431 T CB 0.060 68.889 68.868 -0.065 0.000 0.993 431 T HN -0.003 nan 8.240 nan 0.000 0.519 432 L N 2.971 124.147 121.223 -0.078 0.000 2.418 432 L HA 0.430 4.771 4.340 0.002 0.000 0.265 432 L C -1.638 175.154 176.870 -0.131 0.000 1.143 432 L CA -2.294 52.487 54.840 -0.098 0.000 0.809 432 L CB 0.658 42.643 42.059 -0.123 0.000 1.124 432 L HN 0.101 nan 8.230 nan 0.000 0.456 436 P HA 0.657 nan 4.420 nan 0.000 0.284 436 P C -1.007 176.326 177.300 0.055 0.000 1.258 436 P CA -0.798 62.294 63.100 -0.014 0.000 0.824 436 P CB 1.353 33.037 31.700 -0.028 0.000 1.038 437 L N 2.668 123.914 121.223 0.039 0.000 2.386 437 L HA 0.539 4.880 4.340 0.002 0.000 0.271 437 L C -1.284 175.604 176.870 0.030 0.000 0.993 437 L CA -0.818 54.051 54.840 0.047 0.000 0.819 437 L CB 1.227 43.178 42.059 -0.179 0.000 1.294 437 L HN 0.199 nan 8.230 nan 0.000 0.414 438 L N 3.863 125.118 121.223 0.053 0.000 2.342 438 L HA 0.510 4.851 4.340 0.002 0.000 0.271 438 L C -0.964 175.824 176.870 -0.137 0.000 1.008 438 L CA -0.619 54.227 54.840 0.010 0.000 0.818 438 L CB 1.955 44.056 42.059 0.070 0.000 1.296 438 L HN 0.498 nan 8.230 nan 0.000 0.427 439 F N 1.836 121.605 119.950 -0.302 0.000 2.397 439 F HA 0.302 4.830 4.527 0.002 0.000 0.331 439 F C 0.339 175.789 175.800 -0.583 0.000 1.090 439 F CA -0.698 57.062 58.000 -0.400 0.000 1.065 439 F CB 1.295 40.132 39.000 -0.272 0.000 1.184 439 F HN 0.535 nan 8.300 nan 0.000 0.499 440 Q N 3.582 122.498 119.800 -1.473 0.000 2.304 440 Q HA 0.309 4.650 4.340 0.002 0.000 0.315 440 Q C 0.811 176.387 176.000 -0.706 0.000 1.075 440 Q CA 0.598 55.791 55.803 -1.017 0.000 0.988 440 Q CB 0.109 28.491 28.738 -0.593 0.000 1.146 440 Q HN 1.170 nan 8.270 nan 0.000 0.383 441 G N 2.366 110.724 108.800 -0.735 0.000 2.253 441 G HA2 -0.449 3.512 3.960 0.002 0.000 0.251 441 G HA3 -0.449 3.512 3.960 0.002 0.000 0.251 441 G C 0.840 175.167 174.900 -0.955 0.000 0.998 441 G CA 0.589 44.843 45.100 -1.409 0.000 0.621 441 G HN 0.895 nan 8.290 nan 0.000 0.524 442 Q N 0.753 120.274 119.800 -0.465 0.000 2.226 442 Q HA -0.067 4.274 4.340 0.002 0.000 0.204 442 Q C 2.087 177.819 176.000 -0.446 0.000 0.975 442 Q CA 1.903 57.572 55.803 -0.223 0.000 0.866 442 Q CB -0.374 28.348 28.738 -0.026 0.000 0.915 442 Q HN 0.648 nan 8.270 nan 0.000 0.440 443 E N 0.963 120.783 120.200 -0.633 0.000 2.268 443 E HA -0.187 4.164 4.350 0.002 0.000 0.195 443 E C 0.910 177.357 176.600 -0.256 0.000 0.995 443 E CA 1.115 56.934 56.400 -0.969 0.000 0.836 443 E CB -0.344 29.140 29.700 -0.360 0.000 0.763 443 E HN 0.839 nan 8.360 nan 0.000 0.491 444 W N 0.051 121.287 121.300 -0.107 0.000 2.926 444 W HA 0.722 5.383 4.660 0.002 0.000 0.419 444 W C 0.171 176.751 176.519 0.102 0.000 0.993 444 W CA -0.705 56.662 57.345 0.038 0.000 2.025 444 W CB -0.121 29.360 29.460 0.036 0.000 1.152 444 W HN 0.142 nan 8.180 nan 0.000 0.659 445 A N 1.000 123.812 122.820 -0.013 0.000 2.362 445 A HA 0.085 4.406 4.320 0.002 0.000 0.290 445 A C 1.068 178.621 177.584 -0.051 0.000 1.441 445 A CA 0.737 52.546 52.037 -0.381 0.000 0.743 445 A CB -1.841 16.869 19.000 -0.482 0.000 1.125 445 A HN 1.462 nan 8.150 nan 0.000 0.378 446 A N 0.987 123.672 122.820 -0.225 0.000 2.561 446 A HA 0.457 4.778 4.320 0.002 0.000 0.234 446 A C 1.603 179.325 177.584 0.229 0.000 1.055 446 A CA 0.773 52.736 52.037 -0.124 0.000 0.756 446 A CB -0.030 18.713 19.000 -0.428 0.000 0.986 446 A HN 2.098 nan 8.150 nan 0.000 0.505 447 S N 1.131 116.963 115.700 0.221 0.000 2.522 447 S HA 0.016 4.487 4.470 0.002 0.000 0.227 447 S C 0.809 175.481 174.600 0.119 0.000 0.986 447 S CA 0.762 59.095 58.200 0.221 0.000 0.929 447 S CB -0.747 62.571 63.200 0.197 0.000 0.769 447 S HN 1.169 nan 8.310 nan 0.000 0.529 448 T N 1.395 116.011 114.554 0.103 0.000 2.875 448 T HA 0.607 4.959 4.350 0.002 0.000 0.284 448 T C -2.677 172.098 174.700 0.124 0.000 0.995 448 T CA -2.170 59.988 62.100 0.096 0.000 1.060 448 T CB 1.563 70.486 68.868 0.092 0.000 0.967 448 T HN 0.069 nan 8.240 nan 0.000 0.476 449 P HA 0.359 nan 4.420 nan 0.000 0.279 449 P C -1.193 176.291 177.300 0.307 0.000 1.282 449 P CA -0.718 62.480 63.100 0.162 0.000 0.788 449 P CB 0.601 32.368 31.700 0.113 0.000 1.139 450 F N 0.240 120.295 119.950 0.174 0.000 2.532 450 F HA 0.328 4.856 4.527 0.002 0.000 0.365 450 F C -0.044 175.964 175.800 0.347 0.000 1.112 450 F CA -0.436 57.724 58.000 0.267 0.000 1.082 450 F CB 0.996 40.119 39.000 0.206 0.000 1.319 450 F HN 0.175 nan 8.300 nan 0.000 0.457 451 Q N 3.527 123.387 119.800 0.100 0.000 2.193 451 Q HA 0.320 4.661 4.340 0.002 0.000 0.246 451 Q C -1.117 175.050 176.000 0.279 0.000 0.959 451 Q CA -1.106 54.831 55.803 0.223 0.000 0.904 451 Q CB 2.090 30.947 28.738 0.198 0.000 1.238 451 Q HN 0.621 nan 8.270 nan 0.000 0.469 452 F N 2.930 122.915 119.950 0.058 0.000 2.472 452 F HA 0.307 4.835 4.527 0.002 0.000 0.364 452 F C -1.141 174.511 175.800 -0.247 0.000 1.090 452 F CA -0.666 57.058 58.000 -0.460 0.000 1.188 452 F CB 0.022 38.646 39.000 -0.626 0.000 1.105 452 F HN 0.355 nan 8.300 nan 0.000 0.536 453 F N 3.164 122.477 119.950 -1.061 0.000 2.588 453 F HA 0.855 5.383 4.527 0.002 0.000 0.314 453 F C -0.867 174.372 175.800 -0.936 0.000 1.069 453 F CA -0.906 56.664 58.000 -0.716 0.000 0.931 453 F CB 1.196 40.096 39.000 -0.167 0.000 1.260 453 F HN 0.433 nan 8.300 nan 0.000 0.465 454 S N -0.056 115.427 115.700 -0.362 0.000 2.705 454 S HA 0.634 5.105 4.470 0.002 0.000 0.280 454 S C -1.648 172.889 174.600 -0.104 0.000 1.174 454 S CA -0.637 57.398 58.200 -0.275 0.000 0.823 454 S CB 1.980 65.027 63.200 -0.254 0.000 1.162 454 S HN 0.807 nan 8.310 nan 0.000 0.487 455 D N -0.235 120.074 120.400 -0.153 0.000 3.078 455 D HA 0.244 4.885 4.640 0.002 0.000 0.363 455 D C -0.892 175.350 176.300 -0.097 0.000 1.391 455 D CA -0.185 53.769 54.000 -0.077 0.000 0.754 455 D CB -0.130 40.642 40.800 -0.046 0.000 1.238 455 D HN 0.541 nan 8.370 nan 0.000 0.500 456 H N 0.172 119.266 119.070 0.040 0.000 2.679 456 H HA 0.571 5.128 4.556 0.002 0.000 0.369 456 H C 0.416 175.767 175.328 0.038 0.000 1.178 456 H CA 0.050 56.119 56.048 0.035 0.000 1.419 456 H CB 1.321 31.085 29.762 0.002 0.000 1.458 456 H HN 0.295 nan 8.280 nan 0.000 0.605 457 A N 1.346 124.283 122.820 0.193 0.000 2.286 457 A HA 0.513 4.834 4.320 0.002 0.000 0.286 457 A C 1.119 178.751 177.584 0.081 0.000 1.097 457 A CA 0.276 52.379 52.037 0.111 0.000 0.821 457 A CB -0.026 19.033 19.000 0.098 0.000 1.076 457 A HN 0.910 nan 8.150 nan 0.000 0.490 458 G N 0.678 109.510 108.800 0.053 0.000 2.627 458 G HA2 -0.355 3.606 3.960 0.002 0.000 0.312 458 G HA3 -0.355 3.606 3.960 0.002 0.000 0.312 458 G C 0.751 175.673 174.900 0.036 0.000 1.299 458 G CA 1.041 46.161 45.100 0.035 0.000 0.989 458 G HN 0.861 nan 8.290 nan 0.000 0.547 459 E N -0.354 119.860 120.200 0.023 0.000 2.153 459 E HA -0.054 4.298 4.350 0.002 0.000 0.194 459 E C 2.607 179.224 176.600 0.029 0.000 0.988 459 E CA 1.101 57.514 56.400 0.022 0.000 0.811 459 E CB -0.121 29.585 29.700 0.010 0.000 0.746 459 E HN 0.356 nan 8.360 nan 0.000 0.466 460 L N 0.726 121.961 121.223 0.021 0.000 2.017 460 L HA -0.081 4.260 4.340 0.002 0.000 0.208 460 L C 2.188 179.094 176.870 0.061 0.000 1.073 460 L CA 2.292 57.137 54.840 0.008 0.000 0.745 460 L CB -1.007 41.008 42.059 -0.072 0.000 0.894 460 L HN 0.101 nan 8.230 nan 0.000 0.432 461 G N -1.425 107.436 108.800 0.101 0.000 2.440 461 G HA2 -0.305 3.656 3.960 0.002 0.000 0.218 461 G HA3 -0.305 3.656 3.960 0.002 0.000 0.218 461 G C 1.457 176.417 174.900 0.100 0.000 1.154 461 G CA 0.867 46.046 45.100 0.131 0.000 0.767 461 G HN 0.572 nan 8.290 nan 0.000 0.552 462 Q N 0.151 119.994 119.800 0.072 0.000 2.124 462 Q HA 0.033 4.374 4.340 0.002 0.000 0.202 462 Q C 2.993 179.030 176.000 0.062 0.000 0.977 462 Q CA 1.153 56.992 55.803 0.060 0.000 0.850 462 Q CB -0.250 28.514 28.738 0.043 0.000 0.901 462 Q HN 0.491 nan 8.270 nan 0.000 0.429 463 A N 0.335 123.193 122.820 0.063 0.000 1.930 463 A HA -0.126 4.195 4.320 0.002 0.000 0.217 463 A C 2.323 179.959 177.584 0.087 0.000 1.175 463 A CA 1.189 53.264 52.037 0.062 0.000 0.627 463 A CB -0.604 18.432 19.000 0.060 0.000 0.815 463 A HN 0.205 nan 8.150 nan 0.000 0.443 464 V N -0.087 119.904 119.914 0.129 0.000 2.295 464 V HA -0.230 3.891 4.120 0.002 0.000 0.246 464 V C 2.806 178.985 176.094 0.143 0.000 1.049 464 V CA 2.350 64.756 62.300 0.177 0.000 1.024 464 V CB -0.863 31.117 31.823 0.263 0.000 0.648 464 V HN 0.565 nan 8.190 nan 0.000 0.447 465 S N -0.474 115.298 115.700 0.120 0.000 2.359 465 S HA -0.259 4.212 4.470 0.002 0.000 0.224 465 S C 2.025 176.673 174.600 0.080 0.000 1.035 465 S CA 1.825 60.086 58.200 0.102 0.000 1.018 465 S CB -0.323 62.927 63.200 0.083 0.000 0.876 465 S HN 0.649 nan 8.310 nan 0.000 0.448 466 E N 1.216 121.452 120.200 0.060 0.000 2.051 466 E HA -0.069 4.282 4.350 0.002 0.000 0.192 466 E C 2.147 178.759 176.600 0.021 0.000 0.991 466 E CA 1.459 57.881 56.400 0.037 0.000 0.799 466 E CB -1.000 28.716 29.700 0.027 0.000 0.748 466 E HN 0.405 nan 8.360 nan 0.000 0.449 467 G N 0.228 109.038 108.800 0.016 0.000 2.476 467 G HA2 -0.372 3.589 3.960 0.002 0.000 0.218 467 G HA3 -0.372 3.589 3.960 0.002 0.000 0.218 467 G C 1.824 176.695 174.900 -0.048 0.000 1.164 467 G CA 1.182 46.265 45.100 -0.028 0.000 0.768 467 G HN 0.217 nan 8.290 nan 0.000 0.560 468 R N 0.643 121.154 120.500 0.018 0.000 2.075 468 R HA 0.058 4.399 4.340 0.002 0.000 0.232 468 R C 2.447 178.808 176.300 0.101 0.000 1.126 468 R CA 1.818 57.954 56.100 0.061 0.000 0.963 468 R CB -0.494 29.911 30.300 0.174 0.000 0.858 468 R HN 0.401 nan 8.270 nan 0.000 0.435 469 K N 0.318 120.773 120.400 0.090 0.000 2.032 469 K HA -0.169 4.152 4.320 0.002 0.000 0.209 469 K C 1.767 178.397 176.600 0.049 0.000 1.048 469 K CA 1.877 58.219 56.287 0.092 0.000 0.927 469 K CB -0.022 32.517 32.500 0.065 0.000 0.712 469 K HN 0.085 nan 8.250 nan 0.000 0.441 470 K N 0.422 120.818 120.400 -0.007 0.000 2.097 470 K HA -0.183 4.138 4.320 0.002 0.000 0.205 470 K C 2.090 178.625 176.600 -0.109 0.000 1.050 470 K CA 1.520 57.781 56.287 -0.044 0.000 0.938 470 K CB -0.032 32.436 32.500 -0.053 0.000 0.718 470 K HN 0.349 nan 8.250 nan 0.000 0.442 471 E N 0.225 120.298 120.200 -0.212 0.000 2.153 471 E HA -0.127 4.224 4.350 0.002 0.000 0.194 471 E C -0.026 176.245 176.600 -0.548 0.000 0.988 471 E CA 0.766 56.898 56.400 -0.446 0.000 0.811 471 E CB 0.149 29.445 29.700 -0.674 0.000 0.746 471 E HN 0.087 nan 8.360 nan 0.000 0.466 483 V N 2.866 122.799 119.914 0.032 0.000 2.521 483 V HA 0.234 4.355 4.120 0.002 0.000 0.286 483 V C -1.597 174.531 176.094 0.057 0.000 1.034 483 V CA -0.723 61.597 62.300 0.034 0.000 1.045 483 V CB 0.259 32.146 31.823 0.107 0.000 0.974 483 V HN 0.422 nan 8.190 nan 0.000 0.480 484 P HA 0.062 nan 4.420 nan 0.000 0.267 484 P C -0.539 176.819 177.300 0.097 0.000 1.205 484 P CA -0.228 62.914 63.100 0.070 0.000 0.765 484 P CB 0.527 32.271 31.700 0.073 0.000 0.828 485 D N 5.088 125.541 120.400 0.088 0.000 2.382 485 D HA 0.020 4.661 4.640 0.002 0.000 0.259 485 D C -1.247 175.112 176.300 0.099 0.000 1.224 485 D CA -2.035 52.022 54.000 0.095 0.000 0.894 485 D CB 0.640 41.486 40.800 0.076 0.000 1.127 485 D HN 0.160 nan 8.370 nan 0.000 0.487 486 P HA -0.155 nan 4.420 nan 0.000 0.219 486 P C 0.938 178.249 177.300 0.018 0.000 1.146 486 P CA 1.001 64.123 63.100 0.037 0.000 0.808 486 P CB 0.343 32.074 31.700 0.052 0.000 0.779 487 Q N -0.868 118.965 119.800 0.054 0.000 2.432 487 Q HA 0.151 4.492 4.340 0.002 0.000 0.205 487 Q C 0.934 176.968 176.000 0.057 0.000 0.945 487 Q CA 0.162 55.995 55.803 0.051 0.000 0.924 487 Q CB -0.080 28.698 28.738 0.066 0.000 1.016 487 Q HN 0.162 nan 8.270 nan 0.000 0.503 488 A N 1.047 123.908 122.820 0.069 0.000 2.401 488 A HA 0.097 4.418 4.320 0.002 0.000 0.259 488 A C 0.888 178.523 177.584 0.086 0.000 1.103 488 A CA -0.251 51.828 52.037 0.070 0.000 0.789 488 A CB 0.448 19.489 19.000 0.067 0.000 1.035 488 A HN 0.172 nan 8.150 nan 0.000 0.491 489 E N 0.957 121.207 120.200 0.084 0.000 2.130 489 E HA -0.288 4.063 4.350 0.002 0.000 0.196 489 E C 1.728 178.402 176.600 0.122 0.000 0.998 489 E CA 1.757 58.229 56.400 0.120 0.000 0.806 489 E CB 0.043 29.805 29.700 0.103 0.000 0.738 489 E HN 0.833 nan 8.360 nan 0.000 0.459 490 Q N 0.308 120.155 119.800 0.079 0.000 2.124 490 Q HA -0.128 4.213 4.340 0.002 0.000 0.202 490 Q C 1.944 177.973 176.000 0.047 0.000 0.977 490 Q CA 1.888 57.722 55.803 0.051 0.000 0.850 490 Q CB -0.275 28.489 28.738 0.044 0.000 0.901 490 Q HN 0.155 nan 8.270 nan 0.000 0.429 491 T N 0.244 114.846 114.554 0.080 0.000 2.788 491 T HA -0.118 4.233 4.350 0.002 0.000 0.268 491 T C 1.235 175.981 174.700 0.077 0.000 1.044 491 T CA 1.200 63.362 62.100 0.103 0.000 1.139 491 T CB -0.472 68.481 68.868 0.142 0.000 0.867 491 T HN 0.377 nan 8.240 nan 0.000 0.454 492 F N 2.002 121.833 119.950 -0.198 0.000 2.075 492 F HA 0.024 4.552 4.527 0.002 0.000 0.297 492 F C 1.910 177.515 175.800 -0.325 0.000 1.113 492 F CA 1.026 58.660 58.000 -0.609 0.000 1.218 492 F CB -0.725 37.940 39.000 -0.558 0.000 0.984 492 F HN 0.031 nan 8.300 nan 0.000 0.472 493 L N 0.257 121.282 121.223 -0.331 0.000 2.083 493 L HA -0.271 4.070 4.340 0.002 0.000 0.209 493 L C 2.326 179.078 176.870 -0.196 0.000 1.083 493 L CA 1.255 55.894 54.840 -0.334 0.000 0.752 493 L CB -1.028 40.951 42.059 -0.133 0.000 0.899 493 L HN 0.193 nan 8.230 nan 0.000 0.433 494 N N 0.062 118.705 118.700 -0.094 0.000 2.060 494 N HA -0.184 4.557 4.740 0.002 0.000 0.195 494 N C 1.849 177.354 175.510 -0.008 0.000 1.028 494 N CA 1.840 54.876 53.050 -0.023 0.000 0.861 494 N CB -0.312 38.189 38.487 0.023 0.000 1.029 494 N HN 0.197 nan 8.380 nan 0.000 0.428 495 S N 0.363 116.044 115.700 -0.031 0.000 2.607 495 S HA 0.053 4.524 4.470 0.002 0.000 0.224 495 S C 0.456 175.119 174.600 0.106 0.000 0.969 495 S CA 0.221 58.476 58.200 0.092 0.000 0.927 495 S CB 0.240 63.518 63.200 0.129 0.000 0.772 495 S HN 0.192 nan 8.310 nan 0.000 0.533 496 K N 2.103 122.469 120.400 -0.057 0.000 2.412 496 K HA 0.160 4.481 4.320 0.002 0.000 0.281 496 K C 0.010 176.640 176.600 0.049 0.000 1.027 496 K CA 0.011 56.282 56.287 -0.028 0.000 0.989 496 K CB 0.452 32.876 32.500 -0.126 0.000 0.935 496 K HN 0.284 nan 8.250 nan 0.000 0.475 497 L N 2.686 123.954 121.223 0.076 0.000 2.485 497 L HA -0.033 4.308 4.340 0.002 0.000 0.275 497 L C 0.987 177.837 176.870 -0.033 0.000 1.207 497 L CA 0.003 54.825 54.840 -0.030 0.000 0.855 497 L CB -0.031 41.877 42.059 -0.253 0.000 1.114 497 L HN 0.513 nan 8.230 nan 0.000 0.485 498 N N 2.191 120.877 118.700 -0.025 0.000 2.609 498 N HA 0.067 4.808 4.740 0.002 0.000 0.234 498 N C 0.285 175.692 175.510 -0.172 0.000 1.001 498 N CA -0.321 52.711 53.050 -0.030 0.000 0.926 498 N CB 0.603 39.083 38.487 -0.012 0.000 1.130 498 N HN 0.473 nan 8.380 nan 0.000 0.510 499 W N 2.842 124.037 121.300 -0.175 0.000 2.402 499 W HA 0.025 4.686 4.660 0.002 0.000 0.286 499 W C 2.150 178.349 176.519 -0.533 0.000 1.221 499 W CA 1.129 58.214 57.345 -0.434 0.000 1.257 499 W CB -0.068 29.175 29.460 -0.363 0.000 1.120 499 W HN 0.719 nan 8.180 nan 0.000 0.551 500 A N 0.848 123.590 122.820 -0.130 0.000 2.015 500 A HA -0.226 4.095 4.320 0.002 0.000 0.219 500 A C 1.871 179.318 177.584 -0.228 0.000 1.163 500 A CA 1.760 53.707 52.037 -0.149 0.000 0.646 500 A CB -0.907 18.049 19.000 -0.074 0.000 0.806 500 A HN 0.542 nan 8.150 nan 0.000 0.448 501 E N 0.832 120.845 120.200 -0.311 0.000 2.268 501 E HA -0.255 4.097 4.350 0.002 0.000 0.195 501 E C 1.881 178.250 176.600 -0.385 0.000 0.995 501 E CA 1.011 57.224 56.400 -0.313 0.000 0.836 501 E CB -0.484 28.980 29.700 -0.394 0.000 0.763 501 E HN 0.776 nan 8.360 nan 0.000 0.491 502 R N 1.174 121.248 120.500 -0.711 0.000 2.237 502 R HA -0.078 4.263 4.340 0.002 0.000 0.219 502 R C 1.356 177.547 176.300 -0.181 0.000 1.080 502 R CA 1.386 57.131 56.100 -0.593 0.000 0.995 502 R CB -0.240 29.400 30.300 -1.101 0.000 0.875 502 R HN 0.252 nan 8.270 nan 0.000 0.462 503 E N 0.805 120.912 120.200 -0.156 0.000 2.347 503 E HA 0.039 4.390 4.350 0.002 0.000 0.196 503 E C 0.535 177.139 176.600 0.008 0.000 1.008 503 E CA 0.658 57.025 56.400 -0.055 0.000 0.852 503 E CB 0.363 30.026 29.700 -0.062 0.000 0.783 503 E HN 0.538 nan 8.360 nan 0.000 0.505 504 G N -0.664 108.160 108.800 0.040 0.000 2.605 504 G HA2 0.504 4.465 3.960 0.002 0.000 0.296 504 G HA3 0.504 4.465 3.960 0.002 0.000 0.296 504 G C 0.223 175.190 174.900 0.112 0.000 1.304 504 G CA -0.285 44.859 45.100 0.074 0.000 0.941 504 G HN 0.171 nan 8.290 nan 0.000 0.475 505 G N 0.434 109.277 108.800 0.073 0.000 2.596 505 G HA2 -0.289 3.672 3.960 0.002 0.000 0.295 505 G HA3 -0.289 3.672 3.960 0.002 0.000 0.295 505 G C 0.990 175.908 174.900 0.030 0.000 1.240 505 G CA 0.730 45.857 45.100 0.045 0.000 0.985 505 G HN 0.686 nan 8.290 nan 0.000 0.555 506 E N 0.415 120.584 120.200 -0.052 0.000 2.204 506 E HA -0.062 4.289 4.350 0.002 0.000 0.194 506 E C 2.146 178.735 176.600 -0.019 0.000 0.989 506 E CA 1.341 57.709 56.400 -0.053 0.000 0.824 506 E CB -0.353 29.283 29.700 -0.107 0.000 0.756 506 E HN 0.671 nan 8.360 nan 0.000 0.477 507 H N 0.356 119.502 119.070 0.127 0.000 2.321 507 H HA -0.009 4.548 4.556 0.002 0.000 0.300 507 H C 2.017 177.449 175.328 0.172 0.000 1.087 507 H CA 1.422 57.579 56.048 0.181 0.000 1.319 507 H CB -0.274 29.593 29.762 0.173 0.000 1.379 507 H HN 0.171 nan 8.280 nan 0.000 0.501 508 A N 1.217 124.169 122.820 0.221 0.000 1.898 508 A HA -0.162 4.159 4.320 0.002 0.000 0.216 508 A C 2.526 180.206 177.584 0.161 0.000 1.181 508 A CA 1.348 53.482 52.037 0.161 0.000 0.620 508 A CB -0.473 18.590 19.000 0.105 0.000 0.819 508 A HN 0.258 nan 8.150 nan 0.000 0.442 509 R N -0.959 119.625 120.500 0.141 0.000 2.081 509 R HA -0.102 4.239 4.340 0.002 0.000 0.235 509 R C 2.192 178.597 176.300 0.176 0.000 1.131 509 R CA 1.887 58.067 56.100 0.133 0.000 0.960 509 R CB -0.432 29.933 30.300 0.108 0.000 0.856 509 R HN 0.539 nan 8.270 nan 0.000 0.436 510 T N 1.434 116.120 114.554 0.220 0.000 2.777 510 T HA -0.142 4.209 4.350 0.002 0.000 0.266 510 T C 1.589 176.510 174.700 0.368 0.000 1.040 510 T CA 1.027 63.309 62.100 0.303 0.000 1.141 510 T CB -0.196 68.864 68.868 0.321 0.000 0.868 510 T HN 0.098 nan 8.240 nan 0.000 0.444 511 L N 1.547 122.963 121.223 0.322 0.000 2.046 511 L HA 0.021 4.362 4.340 0.002 0.000 0.208 511 L C 2.488 179.521 176.870 0.272 0.000 1.077 511 L CA 1.746 56.779 54.840 0.323 0.000 0.747 511 L CB -0.635 41.616 42.059 0.320 0.000 0.896 511 L HN 0.086 nan 8.230 nan 0.000 0.432 512 R N -1.006 119.618 120.500 0.206 0.000 2.091 512 R HA -0.201 4.140 4.340 0.002 0.000 0.238 512 R C 2.270 178.652 176.300 0.137 0.000 1.136 512 R CA 1.860 58.049 56.100 0.149 0.000 0.959 512 R CB -0.439 29.930 30.300 0.114 0.000 0.856 512 R HN 0.416 nan 8.270 nan 0.000 0.437 513 L N -0.012 121.303 121.223 0.152 0.000 2.017 513 L HA -0.151 4.190 4.340 0.002 0.000 0.208 513 L C 1.726 178.627 176.870 0.051 0.000 1.073 513 L CA 1.757 56.645 54.840 0.081 0.000 0.745 513 L CB -0.778 41.319 42.059 0.064 0.000 0.894 513 L HN 0.164 nan 8.230 nan 0.000 0.432 514 Y N 0.188 120.519 120.300 0.051 0.000 2.165 514 Y HA -0.247 4.304 4.550 0.002 0.000 0.286 514 Y C 2.775 178.697 175.900 0.038 0.000 1.155 514 Y CA 1.983 60.110 58.100 0.045 0.000 1.164 514 Y CB -0.310 38.204 38.460 0.090 0.000 0.978 514 Y HN 0.168 nan 8.280 nan 0.000 0.513 515 R N -0.152 120.470 120.500 0.203 0.000 2.091 515 R HA -0.184 4.157 4.340 0.002 0.000 0.238 515 R C 1.707 178.041 176.300 0.056 0.000 1.136 515 R CA 1.687 57.852 56.100 0.109 0.000 0.959 515 R CB -0.408 29.950 30.300 0.097 0.000 0.856 515 R HN 0.346 nan 8.270 nan 0.000 0.437 516 D N 0.683 121.109 120.400 0.043 0.000 2.117 516 D HA -0.114 4.527 4.640 0.002 0.000 0.198 516 D C 2.027 178.316 176.300 -0.018 0.000 0.982 516 D CA 0.984 54.992 54.000 0.013 0.000 0.828 516 D CB -0.170 40.636 40.800 0.010 0.000 0.967 516 D HN 0.153 nan 8.370 nan 0.000 0.464 517 L N 0.188 121.379 121.223 -0.053 0.000 2.046 517 L HA -0.146 4.195 4.340 0.002 0.000 0.208 517 L C 2.517 179.354 176.870 -0.055 0.000 1.077 517 L CA 0.749 55.531 54.840 -0.096 0.000 0.747 517 L CB -0.309 41.626 42.059 -0.207 0.000 0.896 517 L HN 0.039 nan 8.230 nan 0.000 0.432 518 L N -0.801 120.410 121.223 -0.019 0.000 2.156 518 L HA -0.166 4.175 4.340 0.002 0.000 0.208 518 L C 2.778 179.652 176.870 0.007 0.000 1.095 518 L CA 0.895 55.738 54.840 0.004 0.000 0.770 518 L CB -0.450 41.633 42.059 0.040 0.000 0.914 518 L HN 0.234 nan 8.230 nan 0.000 0.439 519 R N 0.647 121.152 120.500 0.009 0.000 2.073 519 R HA -0.157 4.184 4.340 0.002 0.000 0.234 519 R C 2.335 178.639 176.300 0.007 0.000 1.134 519 R CA 1.366 57.473 56.100 0.012 0.000 0.952 519 R CB -0.220 30.087 30.300 0.012 0.000 0.850 519 R HN 0.272 nan 8.270 nan 0.000 0.433 520 L N 0.384 121.602 121.223 -0.009 0.000 2.046 520 L HA -0.176 4.165 4.340 0.002 0.000 0.208 520 L C 2.929 179.789 176.870 -0.017 0.000 1.077 520 L CA 1.527 56.353 54.840 -0.022 0.000 0.747 520 L CB -0.421 41.615 42.059 -0.038 0.000 0.896 520 L HN 0.282 nan 8.230 nan 0.000 0.432 521 R N 0.073 120.567 120.500 -0.010 0.000 2.083 521 R HA -0.241 4.100 4.340 0.002 0.000 0.237 521 R C 2.485 178.833 176.300 0.079 0.000 1.137 521 R CA 1.929 58.035 56.100 0.011 0.000 0.951 521 R CB -0.195 30.099 30.300 -0.009 0.000 0.851 521 R HN 0.226 nan 8.270 nan 0.000 0.434 522 R N 0.274 120.815 120.500 0.069 0.000 2.075 522 R HA -0.126 4.215 4.340 0.002 0.000 0.232 522 R C 1.559 177.997 176.300 0.230 0.000 1.126 522 R CA 1.991 58.156 56.100 0.107 0.000 0.963 522 R CB 0.049 30.381 30.300 0.053 0.000 0.858 522 R HN 0.369 nan 8.270 nan 0.000 0.435 523 E N -0.247 120.023 120.200 0.117 0.000 2.307 523 E HA -0.030 4.321 4.350 0.002 0.000 0.195 523 E C -0.160 176.389 176.600 -0.085 0.000 0.975 523 E CA -0.132 56.312 56.400 0.073 0.000 0.878 523 E CB 0.221 29.936 29.700 0.025 0.000 0.845 523 E HN 0.270 nan 8.360 nan 0.000 0.488 524 D N 1.783 122.078 120.400 -0.174 0.000 2.343 524 D HA 0.004 4.645 4.640 0.002 0.000 0.255 524 D C -1.616 174.313 176.300 -0.619 0.000 1.187 524 D CA -1.886 51.953 54.000 -0.269 0.000 0.875 524 D CB 1.474 42.178 40.800 -0.160 0.000 1.136 524 D HN -0.088 nan 8.370 nan 0.000 0.469 525 P HA -0.097 nan 4.420 nan 0.000 0.221 525 P C 1.521 178.627 177.300 -0.322 0.000 1.150 525 P CA 0.352 63.128 63.100 -0.540 0.000 0.800 525 P CB 0.513 32.091 31.700 -0.203 0.000 0.787 526 V N 0.308 120.090 119.914 -0.219 0.000 2.407 526 V HA -0.119 4.002 4.120 0.002 0.000 0.245 526 V C 2.628 178.664 176.094 -0.098 0.000 1.041 526 V CA 1.181 63.409 62.300 -0.120 0.000 1.040 526 V CB -1.114 30.655 31.823 -0.090 0.000 0.671 526 V HN 0.007 nan 8.190 nan 0.000 0.455 527 L N -0.397 120.750 121.223 -0.127 0.000 2.450 527 L HA -0.159 4.182 4.340 0.002 0.000 0.224 527 L C 2.288 179.174 176.870 0.027 0.000 1.149 527 L CA 1.295 56.098 54.840 -0.063 0.000 0.816 527 L CB -0.882 41.140 42.059 -0.062 0.000 0.932 527 L HN 0.511 nan 8.230 nan 0.000 0.449 528 H N -0.765 118.279 119.070 -0.043 0.000 2.518 528 H HA -0.095 4.462 4.556 0.002 0.000 0.289 528 H C 1.043 176.343 175.328 -0.048 0.000 1.051 528 H CA -0.331 55.691 56.048 -0.044 0.000 1.280 528 H CB -0.036 29.704 29.762 -0.037 0.000 1.380 528 H HN 0.310 nan 8.280 nan 0.000 0.566 529 N N 1.412 120.151 118.700 0.065 0.000 2.219 529 N HA -0.141 4.600 4.740 0.002 0.000 0.263 529 N C 0.278 175.781 175.510 -0.011 0.000 1.269 529 N CA 0.399 53.455 53.050 0.011 0.000 0.831 529 N CB 0.502 38.978 38.487 -0.017 0.000 1.059 529 N HN 0.130 nan 8.380 nan 0.000 0.475 530 R N 2.108 122.595 120.500 -0.022 0.000 2.616 530 R HA 0.160 4.501 4.340 0.002 0.000 0.427 530 R C -0.567 175.709 176.300 -0.040 0.000 1.030 530 R CA -0.138 55.938 56.100 -0.039 0.000 1.133 530 R CB 0.170 30.446 30.300 -0.040 0.000 1.444 530 R HN 0.688 nan 8.270 nan 0.000 0.578 531 Q N 0.086 119.863 119.800 -0.038 0.000 2.331 531 Q HA 0.396 4.737 4.340 0.002 0.000 0.267 531 Q C 0.642 176.614 176.000 -0.046 0.000 1.006 531 Q CA -0.411 55.370 55.803 -0.036 0.000 0.818 531 Q CB 2.430 31.151 28.738 -0.029 0.000 1.276 531 Q HN -0.086 nan 8.270 nan 0.000 0.450 532 R N 1.322 121.793 120.500 -0.049 0.000 2.152 532 R HA -0.190 4.151 4.340 0.002 0.000 0.232 532 R C 1.655 177.924 176.300 -0.052 0.000 1.117 532 R CA 1.168 57.228 56.100 -0.066 0.000 0.981 532 R CB 0.184 30.440 30.300 -0.072 0.000 0.870 532 R HN 0.715 nan 8.270 nan 0.000 0.451 533 E N 0.903 121.080 120.200 -0.038 0.000 2.209 533 E HA -0.189 4.162 4.350 0.002 0.000 0.196 533 E C 0.769 177.352 176.600 -0.028 0.000 0.993 533 E CA 1.111 57.493 56.400 -0.029 0.000 0.819 533 E CB 0.134 29.820 29.700 -0.024 0.000 0.745 533 E HN 0.272 nan 8.360 nan 0.000 0.477 534 N N 0.117 118.797 118.700 -0.033 0.000 2.280 534 N HA 0.073 4.814 4.740 0.002 0.000 0.192 534 N C -0.596 174.894 175.510 -0.034 0.000 1.109 534 N CA 0.046 53.076 53.050 -0.034 0.000 0.855 534 N CB 0.558 39.023 38.487 -0.035 0.000 0.974 534 N HN 0.119 nan 8.380 nan 0.000 0.482 535 L N 1.207 122.411 121.223 -0.032 0.000 2.313 535 L HA 0.459 4.800 4.340 0.002 0.000 0.283 535 L C -0.131 176.737 176.870 -0.002 0.000 1.013 535 L CA -0.221 54.605 54.840 -0.024 0.000 0.816 535 L CB 1.395 43.422 42.059 -0.053 0.000 1.236 535 L HN 0.037 nan 8.230 nan 0.000 0.419 536 T N 0.284 114.872 114.554 0.056 0.000 2.906 536 T HA 0.910 5.261 4.350 0.002 0.000 0.295 536 T C -0.293 174.447 174.700 0.067 0.000 1.075 536 T CA -0.268 61.892 62.100 0.100 0.000 1.005 536 T CB 1.829 70.833 68.868 0.227 0.000 1.136 536 T HN 0.734 nan 8.240 nan 0.000 0.498 537 T N -1.926 112.486 114.554 -0.236 0.000 2.864 537 T HA 0.930 5.281 4.350 0.002 0.000 0.299 537 T C -0.020 173.885 174.700 -1.325 0.000 1.166 537 T CA -0.294 61.374 62.100 -0.719 0.000 1.007 537 T CB 1.624 70.293 68.868 -0.332 0.000 1.219 537 T HN 1.593 nan 8.240 nan 0.000 0.506 538 G N 0.196 107.930 108.800 -1.776 0.000 2.427 538 G HA2 0.640 4.601 3.960 0.002 0.000 0.306 538 G HA3 0.640 4.601 3.960 0.002 0.000 0.306 538 G C -1.697 172.714 174.900 -0.815 0.000 1.280 538 G CA -0.345 44.049 45.100 -1.177 0.000 0.837 538 G HN 1.579 nan 8.290 nan 0.000 0.482 539 H N -1.708 117.184 119.070 -0.297 0.000 3.046 539 H HA 0.733 5.290 4.556 0.002 0.000 0.361 539 H C -2.161 173.270 175.328 0.172 0.000 1.235 539 H CA -0.801 55.231 56.048 -0.027 0.000 1.146 539 H CB 2.688 32.416 29.762 -0.057 0.000 1.859 539 H HN 0.518 nan 8.280 nan 0.000 0.548 540 D N 1.831 122.301 120.400 0.118 0.000 2.421 540 D HA 0.402 5.043 4.640 0.002 0.000 0.254 540 D C 1.107 177.467 176.300 0.101 0.000 1.238 540 D CA 0.965 54.979 54.000 0.024 0.000 0.919 540 D CB 0.830 41.664 40.800 0.057 0.000 1.152 540 D HN 1.127 nan 8.370 nan 0.000 0.552 541 G N 4.518 113.401 108.800 0.139 0.000 2.602 541 G HA2 -0.327 3.634 3.960 0.002 0.000 0.310 541 G HA3 -0.327 3.634 3.960 0.002 0.000 0.310 541 G C 0.563 175.545 174.900 0.138 0.000 1.183 541 G CA 0.470 45.650 45.100 0.133 0.000 0.979 541 G HN 0.553 nan 8.290 nan 0.000 0.545 542 D N 0.736 121.167 120.400 0.052 0.000 2.342 542 D HA 0.316 4.957 4.640 0.002 0.000 0.221 542 D C 0.618 176.906 176.300 -0.020 0.000 1.101 542 D CA 0.340 54.332 54.000 -0.014 0.000 0.837 542 D CB 0.657 41.425 40.800 -0.053 0.000 0.938 542 D HN 0.289 nan 8.370 nan 0.000 0.508 543 V N 2.261 122.210 119.914 0.059 0.000 2.364 543 V HA 0.174 4.295 4.120 0.002 0.000 0.272 543 V C 0.122 176.311 176.094 0.158 0.000 1.036 543 V CA -0.881 61.476 62.300 0.094 0.000 0.880 543 V CB 1.558 33.458 31.823 0.127 0.000 0.991 543 V HN -0.009 nan 8.190 nan 0.000 0.460 544 L N 7.476 128.781 121.223 0.136 0.000 2.326 544 L HA 0.578 4.919 4.340 0.002 0.000 0.278 544 L C -0.431 176.609 176.870 0.284 0.000 1.092 544 L CA -0.006 54.923 54.840 0.149 0.000 0.810 544 L CB 0.782 42.930 42.059 0.148 0.000 1.153 544 L HN 0.782 nan 8.230 nan 0.000 0.439 545 W N 4.742 126.150 121.300 0.180 0.000 2.844 545 W HA 0.762 5.423 4.660 0.002 0.000 0.340 545 W C -2.056 174.570 176.519 0.178 0.000 1.093 545 W CA -1.168 56.288 57.345 0.185 0.000 1.212 545 W CB 1.010 30.594 29.460 0.207 0.000 1.422 545 W HN 0.330 nan 8.180 nan 0.000 0.515 546 V N 3.665 123.892 119.914 0.521 0.000 2.524 546 V HA 0.434 4.555 4.120 0.002 0.000 0.297 546 V C -0.301 176.006 176.094 0.354 0.000 1.035 546 V CA -0.775 61.726 62.300 0.336 0.000 0.867 546 V CB 1.567 33.491 31.823 0.169 0.000 1.004 546 V HN 0.664 nan 8.190 nan 0.000 0.426 547 R N 2.524 123.240 120.500 0.360 0.000 2.494 547 R HA 0.740 5.081 4.340 0.002 0.000 0.305 547 R C -0.930 175.380 176.300 0.017 0.000 0.959 547 R CA -0.252 55.914 56.100 0.111 0.000 0.864 547 R CB 1.840 32.078 30.300 -0.104 0.000 1.159 547 R HN 0.725 nan 8.270 nan 0.000 0.446 548 T N 3.333 117.863 114.554 -0.040 0.000 2.807 548 T HA 0.416 4.767 4.350 0.002 0.000 0.279 548 T C -1.058 173.592 174.700 -0.084 0.000 0.993 548 T CA -0.505 61.564 62.100 -0.051 0.000 0.970 548 T CB 1.659 70.503 68.868 -0.039 0.000 0.950 548 T HN 0.261 nan 8.240 nan 0.000 0.441 549 V N 3.900 123.766 119.914 -0.081 0.000 2.525 549 V HA 0.712 4.833 4.120 0.002 0.000 0.299 549 V C 0.283 176.342 176.094 -0.058 0.000 1.034 549 V CA -0.772 61.477 62.300 -0.084 0.000 0.863 549 V CB 1.703 33.463 31.823 -0.104 0.000 0.999 549 V HN 1.123 nan 8.190 nan 0.000 0.423 550 T N 0.819 115.342 114.554 -0.051 0.000 2.831 550 T HA 0.563 4.914 4.350 0.002 0.000 0.287 550 T C 1.275 175.954 174.700 -0.035 0.000 1.070 550 T CA 0.095 62.173 62.100 -0.038 0.000 1.010 550 T CB 1.734 70.584 68.868 -0.031 0.000 1.264 550 T HN 0.687 nan 8.240 nan 0.000 0.532 551 G N -0.348 108.437 108.800 -0.026 0.000 2.501 551 G HA2 0.123 4.084 3.960 0.002 0.000 0.220 551 G HA3 0.123 4.084 3.960 0.002 0.000 0.220 551 G C 1.369 176.254 174.900 -0.025 0.000 1.114 551 G CA 0.682 45.768 45.100 -0.023 0.000 0.757 551 G HN 1.151 nan 8.290 nan 0.000 0.559 552 A N -0.815 121.987 122.820 -0.030 0.000 2.178 552 A HA 0.584 4.905 4.320 0.002 0.000 0.211 552 A C 1.348 178.906 177.584 -0.043 0.000 1.157 552 A CA 1.418 53.434 52.037 -0.036 0.000 0.780 552 A CB -0.114 18.859 19.000 -0.045 0.000 0.828 552 A HN 1.570 nan 8.150 nan 0.000 0.476 553 G N -1.301 107.472 108.800 -0.045 0.000 2.302 553 G HA2 0.281 4.242 3.960 0.002 0.000 0.276 553 G HA3 0.281 4.242 3.960 0.002 0.000 0.276 553 G C -1.148 173.717 174.900 -0.058 0.000 1.316 553 G CA -0.164 44.907 45.100 -0.048 0.000 0.988 553 G HN 0.430 nan 8.290 nan 0.000 0.479 554 E N -0.203 119.960 120.200 -0.060 0.000 2.293 554 E HA 0.683 5.034 4.350 0.002 0.000 0.270 554 E C -0.751 175.812 176.600 -0.062 0.000 0.879 554 E CA -0.969 55.385 56.400 -0.077 0.000 0.756 554 E CB 1.325 30.963 29.700 -0.102 0.000 1.208 554 E HN 0.467 nan 8.360 nan 0.000 0.428 555 R N 1.920 122.383 120.500 -0.063 0.000 2.686 555 R HA 0.572 4.913 4.340 0.002 0.000 0.286 555 R C -1.230 175.061 176.300 -0.016 0.000 0.969 555 R CA -0.946 55.134 56.100 -0.034 0.000 0.898 555 R CB 2.012 32.292 30.300 -0.034 0.000 1.183 555 R HN 0.313 nan 8.270 nan 0.000 0.456 556 V N 3.313 123.245 119.914 0.030 0.000 2.577 556 V HA 0.377 4.498 4.120 0.002 0.000 0.303 556 V C -0.591 175.571 176.094 0.113 0.000 1.042 556 V CA -0.951 61.411 62.300 0.103 0.000 0.872 556 V CB 2.192 34.119 31.823 0.172 0.000 0.998 556 V HN 0.548 nan 8.190 nan 0.000 0.423 557 L N 6.147 127.458 121.223 0.147 0.000 2.275 557 L HA 0.677 5.018 4.340 0.002 0.000 0.288 557 L C -0.980 176.017 176.870 0.211 0.000 1.046 557 L CA 0.170 55.085 54.840 0.124 0.000 0.805 557 L CB 1.011 43.120 42.059 0.084 0.000 1.193 557 L HN 0.551 nan 8.230 nan 0.000 0.426 558 L N 5.449 126.778 121.223 0.176 0.000 2.341 558 L HA 0.478 4.819 4.340 0.002 0.000 0.278 558 L C -1.285 175.742 176.870 0.260 0.000 1.005 558 L CA -0.098 54.883 54.840 0.235 0.000 0.818 558 L CB 1.631 43.800 42.059 0.183 0.000 1.259 558 L HN 0.612 nan 8.230 nan 0.000 0.418 559 W N 4.094 125.436 121.300 0.070 0.000 2.554 559 W HA 0.381 5.042 4.660 0.002 0.000 0.324 559 W C -0.409 176.136 176.519 0.043 0.000 1.018 559 W CA -1.361 56.003 57.345 0.032 0.000 1.243 559 W CB 1.280 30.757 29.460 0.028 0.000 1.345 559 W HN 0.450 nan 8.180 nan 0.000 0.441 560 N N 5.509 124.338 118.700 0.215 0.000 2.448 560 N HA 0.039 4.780 4.740 0.002 0.000 0.250 560 N C 0.549 175.941 175.510 -0.198 0.000 1.136 560 N CA 0.125 53.189 53.050 0.022 0.000 0.953 560 N CB 0.627 39.165 38.487 0.084 0.000 1.251 560 N HN 0.409 nan 8.380 nan 0.000 0.502 561 L N 1.708 122.711 121.223 -0.367 0.000 2.478 561 L HA 0.228 4.569 4.340 0.002 0.000 0.223 561 L C 1.473 178.207 176.870 -0.228 0.000 1.140 561 L CA 0.380 54.933 54.840 -0.478 0.000 0.842 561 L CB -1.592 40.135 42.059 -0.553 0.000 0.953 561 L HN 0.481 nan 8.230 nan 0.000 0.452 562 G N -0.893 107.832 108.800 -0.125 0.000 2.621 562 G HA2 0.197 4.158 3.960 0.002 0.000 0.271 562 G HA3 0.197 4.158 3.960 0.002 0.000 0.271 562 G C 0.618 175.497 174.900 -0.034 0.000 1.236 562 G CA -0.267 44.794 45.100 -0.066 0.000 0.958 562 G HN 0.159 nan 8.290 nan 0.000 0.512 563 Q N -0.388 119.400 119.800 -0.019 0.000 2.392 563 Q HA 0.093 4.434 4.340 0.002 0.000 0.203 563 Q C 0.197 176.205 176.000 0.013 0.000 0.917 563 Q CA 0.308 56.108 55.803 -0.004 0.000 0.939 563 Q CB 0.417 29.149 28.738 -0.010 0.000 1.063 563 Q HN 0.780 nan 8.270 nan 0.000 0.516 564 D N -0.521 119.888 120.400 0.016 0.000 2.506 564 D HA 0.240 4.881 4.640 0.002 0.000 0.254 564 D C -0.349 175.976 176.300 0.041 0.000 1.089 564 D CA -0.662 53.353 54.000 0.025 0.000 1.050 564 D CB 0.488 41.298 40.800 0.018 0.000 1.221 564 D HN -0.346 nan 8.370 nan 0.000 0.589 565 T N 0.519 115.100 114.554 0.044 0.000 2.845 565 T HA 0.487 4.838 4.350 0.002 0.000 0.288 565 T C -0.013 174.717 174.700 0.050 0.000 0.980 565 T CA -0.663 61.472 62.100 0.057 0.000 1.071 565 T CB 0.657 69.559 68.868 0.057 0.000 0.941 565 T HN 0.130 nan 8.240 nan 0.000 0.487 566 R N 1.599 122.135 120.500 0.060 0.000 2.513 566 R HA 0.618 4.960 4.340 0.002 0.000 0.301 566 R C -0.608 175.726 176.300 0.057 0.000 0.968 566 R CA -0.704 55.427 56.100 0.051 0.000 0.872 566 R CB 1.880 32.211 30.300 0.052 0.000 1.177 566 R HN 0.735 nan 8.270 nan 0.000 0.444 567 A N 2.501 125.347 122.820 0.042 0.000 2.363 567 A HA 0.249 4.570 4.320 0.002 0.000 0.270 567 A C 1.345 178.949 177.584 0.033 0.000 1.121 567 A CA -0.487 51.574 52.037 0.040 0.000 0.800 567 A CB 0.610 19.627 19.000 0.027 0.000 1.052 567 A HN 0.534 nan 8.150 nan 0.000 0.493 568 V N 2.722 122.659 119.914 0.039 0.000 2.392 568 V HA -0.305 3.816 4.120 0.002 0.000 0.249 568 V C 2.900 178.990 176.094 -0.006 0.000 1.059 568 V CA 2.614 64.929 62.300 0.026 0.000 1.051 568 V CB -1.224 30.621 31.823 0.036 0.000 0.658 568 V HN 1.011 nan 8.190 nan 0.000 0.455 569 A N -0.381 122.436 122.820 -0.005 0.000 2.076 569 A HA -0.226 4.095 4.320 0.002 0.000 0.220 569 A C 1.979 179.544 177.584 -0.032 0.000 1.160 569 A CA 1.826 53.850 52.037 -0.022 0.000 0.653 569 A CB -0.366 18.627 19.000 -0.012 0.000 0.801 569 A HN 0.686 nan 8.150 nan 0.000 0.455 570 E N -0.698 119.490 120.200 -0.021 0.000 2.476 570 E HA 0.194 4.545 4.350 0.002 0.000 0.196 570 E C -0.671 175.911 176.600 -0.030 0.000 1.029 570 E CA -0.365 56.020 56.400 -0.024 0.000 0.896 570 E CB 0.652 30.347 29.700 -0.008 0.000 1.012 570 E HN 0.304 nan 8.360 nan 0.000 0.475 571 V N 2.528 122.419 119.914 -0.039 0.000 2.455 571 V HA 0.051 4.172 4.120 0.002 0.000 0.273 571 V C 0.335 176.366 176.094 -0.106 0.000 1.045 571 V CA -0.228 62.046 62.300 -0.043 0.000 0.976 571 V CB 0.783 32.593 31.823 -0.021 0.000 0.993 571 V HN 0.091 nan 8.190 nan 0.000 0.475 572 K N 6.080 126.426 120.400 -0.090 0.000 2.349 572 K HA 0.530 4.851 4.320 0.002 0.000 0.289 572 K C -0.846 175.630 176.600 -0.207 0.000 1.064 572 K CA -0.012 56.197 56.287 -0.129 0.000 0.947 572 K CB 0.487 32.940 32.500 -0.079 0.000 1.007 572 K HN 0.511 nan 8.250 nan 0.000 0.478 573 L N 4.713 125.712 121.223 -0.374 0.000 2.401 573 L HA 0.359 4.700 4.340 0.002 0.000 0.266 573 L C -1.654 174.865 176.870 -0.585 0.000 0.991 573 L CA -1.900 52.509 54.840 -0.718 0.000 0.818 573 L CB 2.233 43.505 42.059 -1.312 0.000 1.321 573 L HN 0.518 nan 8.230 nan 0.000 0.413 574 P HA 0.100 nan 4.420 nan 0.000 0.258 574 P C -0.870 176.400 177.300 -0.050 0.000 1.403 574 P CA 0.347 63.362 63.100 -0.141 0.000 0.826 574 P CB -0.390 31.358 31.700 0.080 0.000 1.414 575 F N -4.231 115.593 119.950 -0.209 0.000 2.741 575 F HA 0.546 5.074 4.527 0.002 0.000 0.313 575 F C -0.689 175.010 175.800 -0.168 0.000 1.153 575 F CA -1.348 56.546 58.000 -0.176 0.000 0.931 575 F CB 0.230 39.106 39.000 -0.208 0.000 1.335 575 F HN -0.510 nan 8.300 nan 0.000 0.460 576 T N 2.205 116.802 114.554 0.071 0.000 2.761 576 T HA 0.336 4.687 4.350 0.002 0.000 0.296 576 T C -0.266 174.480 174.700 0.077 0.000 0.934 576 T CA -0.308 61.783 62.100 -0.014 0.000 1.091 576 T CB 1.079 69.955 68.868 0.013 0.000 0.896 576 T HN 0.702 nan 8.240 nan 0.000 0.515 577 V N 7.208 127.083 119.914 -0.066 0.000 2.599 577 V HA 0.139 4.260 4.120 0.002 0.000 0.300 577 V C -1.884 174.245 176.094 0.059 0.000 1.034 577 V CA -1.554 60.762 62.300 0.025 0.000 1.115 577 V CB 0.546 32.328 31.823 -0.069 0.000 0.934 577 V HN 0.718 nan 8.190 nan 0.000 0.485 578 P HA 0.198 nan 4.420 nan 0.000 0.268 578 P C -0.021 177.295 177.300 0.027 0.000 1.208 578 P CA 0.117 63.242 63.100 0.041 0.000 0.777 578 P CB 0.396 32.116 31.700 0.033 0.000 0.875 579 R N 0.715 121.225 120.500 0.016 0.000 2.254 579 R HA 0.123 4.464 4.340 0.002 0.000 0.193 579 R C 0.963 177.272 176.300 0.015 0.000 0.929 579 R CA -0.013 56.095 56.100 0.013 0.000 1.038 579 R CB 0.154 30.458 30.300 0.007 0.000 1.009 579 R HN 0.359 nan 8.270 nan 0.000 0.512 580 R N 2.265 122.772 120.500 0.012 0.000 2.234 580 R HA 0.120 4.461 4.340 0.002 0.000 0.324 580 R C -0.423 175.887 176.300 0.017 0.000 1.054 580 R CA -0.344 55.763 56.100 0.011 0.000 0.912 580 R CB 0.569 30.872 30.300 0.004 0.000 1.030 580 R HN -0.021 nan 8.270 nan 0.000 0.455 581 L N 7.289 128.526 121.223 0.024 0.000 2.477 581 L HA 0.024 4.365 4.340 0.002 0.000 0.272 581 L C 0.025 176.909 176.870 0.024 0.000 1.157 581 L CA 0.747 55.608 54.840 0.035 0.000 0.889 581 L CB 0.552 42.641 42.059 0.050 0.000 1.158 581 L HN 0.957 nan 8.230 nan 0.000 0.473 582 L N 6.016 127.250 121.223 0.019 0.000 2.467 582 L HA 0.269 4.611 4.340 0.002 0.000 0.213 582 L C 0.269 177.144 176.870 0.010 0.000 1.053 582 L CA 0.253 55.096 54.840 0.006 0.000 0.847 582 L CB 0.343 42.397 42.059 -0.008 0.000 1.075 582 L HN 0.533 nan 8.230 nan 0.000 0.479 583 L N -1.094 120.139 121.223 0.016 0.000 2.506 583 L HA 0.482 4.823 4.340 0.002 0.000 0.257 583 L C -1.593 175.306 176.870 0.048 0.000 0.964 583 L CA -0.563 54.289 54.840 0.020 0.000 0.836 583 L CB 2.457 44.504 42.059 -0.020 0.000 1.384 583 L HN -0.096 nan 8.230 nan 0.000 0.410 584 H N 1.592 120.647 119.070 -0.024 0.000 2.689 584 H HA 0.271 4.828 4.556 0.002 0.000 0.346 584 H C 0.176 175.478 175.328 -0.043 0.000 1.037 584 H CA 0.334 56.367 56.048 -0.024 0.000 1.234 584 H CB 2.241 31.995 29.762 -0.013 0.000 1.572 584 H HN 0.855 nan 8.280 nan 0.000 0.524 585 T N 0.942 115.441 114.554 -0.091 0.000 2.977 585 T HA -0.067 4.284 4.350 0.002 0.000 0.271 585 T C 0.627 175.362 174.700 0.058 0.000 1.105 585 T CA 0.962 63.040 62.100 -0.037 0.000 1.116 585 T CB 0.216 69.003 68.868 -0.135 0.000 0.878 585 T HN 0.478 nan 8.240 nan 0.000 0.509 586 E N 0.600 120.962 120.200 0.270 0.000 2.558 586 E HA 0.320 4.671 4.350 0.002 0.000 0.205 586 E C 1.349 177.965 176.600 0.027 0.000 1.006 586 E CA 0.253 56.695 56.400 0.071 0.000 0.961 586 E CB 0.293 29.944 29.700 -0.081 0.000 1.044 586 E HN 0.628 nan 8.360 nan 0.000 0.465 587 G N 2.587 111.435 108.800 0.081 0.000 2.179 587 G HA2 -0.359 3.602 3.960 0.002 0.000 0.257 587 G HA3 -0.359 3.602 3.960 0.002 0.000 0.257 587 G C 0.294 175.106 174.900 -0.146 0.000 1.010 587 G CA 0.273 45.366 45.100 -0.011 0.000 0.736 587 G HN 0.201 nan 8.290 nan 0.000 0.513 588 R N -0.227 119.999 120.500 -0.457 0.000 2.694 588 R HA 0.322 4.663 4.340 0.002 0.000 0.268 588 R C 1.195 177.333 176.300 -0.271 0.000 1.061 588 R CA 0.330 56.133 56.100 -0.495 0.000 1.133 588 R CB 0.545 30.331 30.300 -0.857 0.000 1.020 588 R HN 0.480 nan 8.270 nan 0.000 0.475 589 E N 0.519 120.630 120.200 -0.148 0.000 2.170 589 E HA -0.048 4.303 4.350 0.002 0.000 0.191 589 E C -0.291 176.288 176.600 -0.036 0.000 0.981 589 E CA 0.688 57.049 56.400 -0.065 0.000 0.830 589 E CB 0.293 29.968 29.700 -0.041 0.000 0.775 589 E HN 0.473 nan 8.360 nan 0.000 0.470 590 D N 0.049 120.421 120.400 -0.046 0.000 2.326 590 D HA 0.207 4.848 4.640 0.002 0.000 0.251 590 D C -0.146 176.185 176.300 0.052 0.000 1.023 590 D CA -0.421 53.580 54.000 0.001 0.000 0.966 590 D CB 1.319 42.119 40.800 -0.001 0.000 1.156 590 D HN -0.062 nan 8.370 nan 0.000 0.494 591 L N 1.334 122.598 121.223 0.068 0.000 2.423 591 L HA 0.204 4.546 4.340 0.002 0.000 0.249 591 L C -0.061 176.871 176.870 0.103 0.000 1.276 591 L CA 0.333 55.234 54.840 0.103 0.000 1.199 591 L CB -0.425 41.673 42.059 0.065 0.000 1.407 591 L HN 0.079 nan 8.230 nan 0.000 0.410 592 T N 2.027 116.672 114.554 0.151 0.000 3.011 592 T HA 0.450 4.802 4.350 0.002 0.000 0.303 592 T C -0.273 174.563 174.700 0.226 0.000 0.997 592 T CA -0.391 61.790 62.100 0.135 0.000 1.007 592 T CB 1.667 70.583 68.868 0.081 0.000 1.017 592 T HN 0.139 nan 8.240 nan 0.000 0.443 593 L N 3.272 124.597 121.223 0.169 0.000 2.264 593 L HA 0.531 4.873 4.340 0.002 0.000 0.287 593 L C 1.314 178.276 176.870 0.153 0.000 1.039 593 L CA -0.804 54.142 54.840 0.175 0.000 0.829 593 L CB 0.888 43.018 42.059 0.118 0.000 1.211 593 L HN 0.771 nan 8.230 nan 0.000 0.427 594 G N 2.256 111.164 108.800 0.181 0.000 2.732 594 G HA2 0.295 4.256 3.960 0.002 0.000 0.244 594 G HA3 0.295 4.256 3.960 0.002 0.000 0.244 594 G C 0.371 175.370 174.900 0.164 0.000 1.226 594 G CA -0.214 44.985 45.100 0.166 0.000 0.860 594 G HN 0.789 nan 8.290 nan 0.000 0.583 595 A N -0.478 122.427 122.820 0.143 0.000 2.566 595 A HA 0.486 4.807 4.320 0.002 0.000 0.245 595 A C 1.768 179.459 177.584 0.179 0.000 1.056 595 A CA 1.374 53.482 52.037 0.118 0.000 0.757 595 A CB -0.632 18.415 19.000 0.079 0.000 0.979 595 A HN 2.664 nan 8.150 nan 0.000 0.508 596 G N 1.924 110.813 108.800 0.149 0.000 2.205 596 G HA2 -0.239 3.722 3.960 0.002 0.000 0.261 596 G HA3 -0.239 3.722 3.960 0.002 0.000 0.261 596 G C 0.079 175.251 174.900 0.453 0.000 0.980 596 G CA 0.708 45.968 45.100 0.267 0.000 0.632 596 G HN 0.905 nan 8.290 nan 0.000 0.533 597 E N 0.261 120.648 120.200 0.311 0.000 2.318 597 E HA 0.678 5.029 4.350 0.002 0.000 0.265 597 E C 0.360 177.084 176.600 0.208 0.000 1.069 597 E CA 0.024 56.545 56.400 0.201 0.000 0.893 597 E CB 1.404 31.176 29.700 0.119 0.000 1.076 597 E HN 0.766 nan 8.360 nan 0.000 0.414 598 A N 1.249 124.035 122.820 -0.056 0.000 2.469 598 A HA 0.682 5.003 4.320 0.002 0.000 0.299 598 A C -1.387 176.011 177.584 -0.310 0.000 1.098 598 A CA -0.648 51.322 52.037 -0.111 0.000 0.737 598 A CB 2.006 20.867 19.000 -0.231 0.000 1.312 598 A HN 0.346 nan 8.150 nan 0.000 0.414 599 V N 1.501 121.307 119.914 -0.179 0.000 2.841 599 V HA 0.669 4.790 4.120 0.002 0.000 0.310 599 V C -1.715 174.350 176.094 -0.049 0.000 1.090 599 V CA -0.656 61.547 62.300 -0.163 0.000 0.930 599 V CB 1.831 33.581 31.823 -0.123 0.000 1.014 599 V HN 1.025 nan 8.190 nan 0.000 0.425 600 L N 7.506 128.706 121.223 -0.038 0.000 2.287 600 L HA 0.812 5.153 4.340 0.002 0.000 0.287 600 L C -0.447 176.428 176.870 0.007 0.000 1.022 600 L CA 0.022 54.855 54.840 -0.011 0.000 0.814 600 L CB 1.588 43.629 42.059 -0.030 0.000 1.217 600 L HN 0.650 nan 8.230 nan 0.000 0.420 601 V N 2.126 122.054 119.914 0.022 0.000 2.960 601 V HA 1.113 5.234 4.120 0.002 0.000 0.315 601 V C -0.025 176.077 176.094 0.014 0.000 1.087 601 V CA 0.050 62.365 62.300 0.024 0.000 0.982 601 V CB 1.194 33.040 31.823 0.039 0.000 1.039 601 V HN 0.909 nan 8.190 nan 0.000 0.437 602 G N 0.000 108.804 108.800 0.006 0.000 5.446 602 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 602 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 602 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 602 G HN 0.000 nan 8.290 nan 0.000 0.925