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 2by3_1_A DATA FIRST_RESID 14 DATA SEQUENCE SFQTQHDPRT RLGATPLPGG AGTRFRLWTS TARTVAVRVN GTEHVXTSLG DATA SEQUENCE GGIYELELPV GPGARYLFVL DGVPTPDPYA RFLPDGVHGE AEVVDFGTFD DATA SEQUENCE WTDADWHGIK LADCVFYEVH VGTFTPEGTY RAAAEKLPYL KELGVTAIQV DATA SEQUENCE XPLAAFDGQR GWGYDGAAFY APYAPYGRPE DLXALVDAAH RLGLGVFLDV DATA SEQUENCE VYNHFGPSGN YLSSYAPSYF TDRFSSAWGX GLDYAEPHXR RYVTGNARXW DATA SEQUENCE LRDYHFDGLR LDATPYXTDD SETHILTELA QEIHELGGTH LLLAEDHRNL DATA SEQUENCE PDLVTVNHLD GIWTDDFHHE TRVTLTGEQE GYYAGYRGGA EALAYTIRRG DATA SEQUENCE WRYEGQFWAV KGEEHERGHP SDALEAPNFV YCIQNHDQIG NRPLGERLHQ DATA SEQUENCE SDGVTLHEYR GAAALLLTLP XTPLLFQGQE WAASTPFQFF SDHAGELGQA DATA SEQUENCE VSEGRKKEFX XXXXXXXXDV PDPQAEQTFL NSKLNWAERE GGEHARTLRL DATA SEQUENCE YRDLLRLRRE DPVLHNRQRE NLTTGHDGDV LWVRTVTGAG ERVLLWNLGQ DATA SEQUENCE DTRAVAEVKL PFTVPRRLLL HTEGREDLTL GAGEAVLVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.638 174.600 0.063 0.000 1.055 14 S CA 0.000 58.227 58.200 0.046 0.000 1.107 14 S CB 0.000 63.215 63.200 0.026 0.000 0.593 15 F N 4.311 124.267 119.950 0.010 0.000 2.578 15 F HA 0.469 4.996 4.527 0.001 0.000 0.376 15 F C 0.293 176.103 175.800 0.017 0.000 1.085 15 F CA 0.619 58.630 58.000 0.018 0.000 1.260 15 F CB 0.518 39.538 39.000 0.034 0.000 1.095 15 F HN 0.285 nan 8.300 nan 0.000 0.573 16 Q N 4.902 124.133 119.800 -0.948 0.000 2.322 16 Q HA 0.174 4.515 4.340 0.002 0.000 0.265 16 Q C -0.040 175.318 176.000 -1.069 0.000 0.985 16 Q CA -0.936 54.451 55.803 -0.693 0.000 0.849 16 Q CB 1.785 30.300 28.738 -0.373 0.000 1.274 16 Q HN 0.788 nan 8.270 nan 0.000 0.449 17 T N 1.291 115.551 114.554 -0.489 0.000 2.946 17 T HA -0.101 4.250 4.350 0.002 0.000 0.312 17 T C 0.870 175.452 174.700 -0.197 0.000 1.066 17 T CA 0.780 62.798 62.100 -0.136 0.000 1.138 17 T CB 0.484 69.444 68.868 0.153 0.000 1.014 17 T HN 0.585 nan 8.240 nan 0.000 0.544 18 Q N 1.833 121.541 119.800 -0.153 0.000 2.365 18 Q HA 0.066 4.407 4.340 0.002 0.000 0.203 18 Q C -0.058 175.730 176.000 -0.352 0.000 0.929 18 Q CA 0.295 55.935 55.803 -0.271 0.000 0.948 18 Q CB 0.199 28.754 28.738 -0.305 0.000 1.043 18 Q HN 0.625 nan 8.270 nan 0.000 0.505 19 H N 0.282 119.354 119.070 0.003 0.000 2.466 19 H HA 0.280 4.837 4.556 0.001 0.000 0.338 19 H C -1.014 174.318 175.328 0.007 0.000 1.091 19 H CA -0.390 55.670 56.048 0.020 0.000 1.207 19 H CB 1.545 31.340 29.762 0.056 0.000 1.466 19 H HN -0.001 nan 8.280 nan 0.000 0.493 20 D N 4.039 124.502 120.400 0.105 0.000 2.696 20 D HA 0.222 4.862 4.640 0.002 0.000 0.251 20 D C -2.120 174.216 176.300 0.060 0.000 1.188 20 D CA -2.354 51.680 54.000 0.057 0.000 0.876 20 D CB 2.579 43.385 40.800 0.010 0.000 1.334 20 D HN 0.098 nan 8.370 nan 0.000 0.540 21 P HA -0.073 nan 4.420 nan 0.000 0.217 21 P C 0.988 178.301 177.300 0.021 0.000 1.148 21 P CA 1.044 64.171 63.100 0.046 0.000 0.828 21 P CB 0.288 32.015 31.700 0.045 0.000 0.783 22 R N -1.019 119.488 120.500 0.012 0.000 2.235 22 R HA 0.011 4.351 4.340 0.002 0.000 0.213 22 R C 1.308 177.603 176.300 -0.007 0.000 1.059 22 R CA 1.602 57.700 56.100 -0.003 0.000 0.997 22 R CB -0.677 29.620 30.300 -0.005 0.000 0.884 22 R HN 0.313 nan 8.270 nan 0.000 0.462 23 T N -2.634 111.919 114.554 -0.001 0.000 3.228 23 T HA 0.178 4.529 4.350 0.002 0.000 0.278 23 T C 0.368 175.063 174.700 -0.008 0.000 1.014 23 T CA -0.594 61.501 62.100 -0.008 0.000 0.904 23 T CB 0.150 69.009 68.868 -0.015 0.000 1.110 23 T HN -0.010 nan 8.240 nan 0.000 0.541 24 R N 1.721 122.219 120.500 -0.003 0.000 2.489 24 R HA 0.345 4.686 4.340 0.002 0.000 0.287 24 R C -0.168 176.077 176.300 -0.090 0.000 1.053 24 R CA -0.432 55.662 56.100 -0.009 0.000 1.036 24 R CB 0.222 30.531 30.300 0.014 0.000 0.966 24 R HN 0.413 nan 8.270 nan 0.000 0.432 25 L N 4.511 125.606 121.223 -0.212 0.000 2.439 25 L HA 0.270 4.611 4.340 0.002 0.000 0.269 25 L C 1.270 177.941 176.870 -0.332 0.000 1.179 25 L CA 0.877 55.460 54.840 -0.429 0.000 0.828 25 L CB 0.740 42.204 42.059 -0.991 0.000 1.106 25 L HN 1.100 nan 8.230 nan 0.000 0.467 26 G N 1.847 110.592 108.800 -0.091 0.000 2.464 26 G HA2 0.025 3.986 3.960 0.002 0.000 0.216 26 G HA3 0.025 3.986 3.960 0.002 0.000 0.216 26 G C -0.917 174.072 174.900 0.147 0.000 1.186 26 G CA -0.223 45.006 45.100 0.214 0.000 1.010 26 G HN 1.026 nan 8.290 nan 0.000 0.585 27 A N -0.300 122.525 122.820 0.010 0.000 2.311 27 A HA 0.831 5.152 4.320 0.002 0.000 0.306 27 A C -0.086 177.332 177.584 -0.276 0.000 1.189 27 A CA 0.687 52.490 52.037 -0.391 0.000 0.791 27 A CB 1.318 19.915 19.000 -0.672 0.000 1.172 27 A HN 1.517 nan 8.150 nan 0.000 0.481 28 T N 4.601 118.970 114.554 -0.308 0.000 2.812 28 T HA 0.531 4.882 4.350 0.002 0.000 0.282 28 T C -2.859 171.711 174.700 -0.217 0.000 0.990 28 T CA -1.093 60.895 62.100 -0.187 0.000 0.960 28 T CB 1.557 70.367 68.868 -0.097 0.000 0.948 28 T HN 0.375 nan 8.240 nan 0.000 0.438 29 P HA 0.152 nan 4.420 nan 0.000 0.265 29 P C -0.500 176.740 177.300 -0.099 0.000 1.193 29 P CA -0.156 62.859 63.100 -0.140 0.000 0.765 29 P CB 0.451 32.088 31.700 -0.104 0.000 0.823 30 L N 5.347 126.514 121.223 -0.093 0.000 2.421 30 L HA 0.443 4.783 4.340 0.002 0.000 0.263 30 L C -1.574 175.274 176.870 -0.037 0.000 1.122 30 L CA -2.019 52.783 54.840 -0.062 0.000 0.804 30 L CB 0.323 42.345 42.059 -0.060 0.000 1.150 30 L HN 0.310 nan 8.230 nan 0.000 0.457 31 P HA 0.100 nan 4.420 nan 0.000 0.272 31 P C 0.429 177.722 177.300 -0.012 0.000 1.240 31 P CA 0.016 63.109 63.100 -0.011 0.000 0.791 31 P CB 0.631 32.328 31.700 -0.004 0.000 0.978 32 G N 0.086 108.882 108.800 -0.007 0.000 2.225 32 G HA2 -0.115 3.846 3.960 0.002 0.000 0.267 32 G HA3 -0.115 3.846 3.960 0.002 0.000 0.267 32 G C 0.866 175.760 174.900 -0.008 0.000 1.024 32 G CA 0.642 45.739 45.100 -0.005 0.000 0.784 32 G HN 1.116 nan 8.290 nan 0.000 0.507 33 G N -1.454 107.339 108.800 -0.012 0.000 2.187 33 G HA2 0.049 4.010 3.960 0.002 0.000 0.261 33 G HA3 0.049 4.010 3.960 0.002 0.000 0.261 33 G C 1.424 176.314 174.900 -0.017 0.000 1.000 33 G CA 1.333 46.425 45.100 -0.015 0.000 0.718 33 G HN 2.150 nan 8.290 nan 0.000 0.519 34 A N -1.164 121.644 122.820 -0.020 0.000 2.168 34 A HA 0.539 4.860 4.320 0.002 0.000 0.215 34 A C 2.369 179.936 177.584 -0.028 0.000 1.152 34 A CA 2.145 54.171 52.037 -0.019 0.000 0.716 34 A CB -0.196 18.793 19.000 -0.019 0.000 0.794 34 A HN 2.597 nan 8.150 nan 0.000 0.465 35 G N -2.535 106.240 108.800 -0.042 0.000 2.348 35 G HA2 0.170 4.131 3.960 0.002 0.000 0.199 35 G HA3 0.170 4.131 3.960 0.002 0.000 0.199 35 G C -0.312 174.520 174.900 -0.113 0.000 1.235 35 G CA -0.120 44.947 45.100 -0.055 0.000 1.264 35 G HN 0.715 nan 8.290 nan 0.000 0.543 36 T N 0.494 114.946 114.554 -0.169 0.000 2.912 36 T HA 0.655 5.006 4.350 0.002 0.000 0.299 36 T C -0.377 174.068 174.700 -0.425 0.000 1.052 36 T CA -0.497 61.377 62.100 -0.376 0.000 0.996 36 T CB 2.107 70.615 68.868 -0.600 0.000 1.070 36 T HN 0.718 nan 8.240 nan 0.000 0.465 37 R N 2.277 122.525 120.500 -0.419 0.000 2.294 37 R HA 0.579 4.920 4.340 0.002 0.000 0.319 37 R C -1.452 174.596 176.300 -0.420 0.000 0.984 37 R CA -0.488 55.449 56.100 -0.272 0.000 0.861 37 R CB 0.424 30.644 30.300 -0.132 0.000 1.104 37 R HN 0.449 nan 8.270 nan 0.000 0.451 38 F N 3.352 123.293 119.950 -0.016 0.000 2.436 38 F HA 0.545 5.072 4.527 0.001 0.000 0.340 38 F C 0.367 176.220 175.800 0.088 0.000 1.113 38 F CA -0.505 57.532 58.000 0.062 0.000 1.022 38 F CB 1.734 40.816 39.000 0.137 0.000 1.128 38 F HN 0.331 nan 8.300 nan 0.000 0.466 39 R N 3.331 123.967 120.500 0.226 0.000 2.651 39 R HA 0.827 5.168 4.340 0.002 0.000 0.278 39 R C -1.765 174.505 176.300 -0.050 0.000 1.010 39 R CA -1.077 55.064 56.100 0.070 0.000 0.896 39 R CB 2.614 32.921 30.300 0.011 0.000 1.211 39 R HN 0.605 nan 8.270 nan 0.000 0.456 40 L N -1.588 119.589 121.223 -0.077 0.000 2.479 40 L HA 0.745 5.086 4.340 0.002 0.000 0.255 40 L C -1.663 175.279 176.870 0.122 0.000 1.026 40 L CA -0.819 53.952 54.840 -0.116 0.000 0.842 40 L CB 1.327 43.160 42.059 -0.377 0.000 1.444 40 L HN 0.680 nan 8.230 nan 0.000 0.409 41 W N 0.828 122.089 121.300 -0.065 0.000 2.587 41 W HA 0.802 5.463 4.660 0.001 0.000 0.324 41 W C -1.123 175.445 176.519 0.082 0.000 1.040 41 W CA -0.353 56.956 57.345 -0.060 0.000 1.222 41 W CB 1.907 31.143 29.460 -0.373 0.000 1.381 41 W HN 0.910 nan 8.180 nan 0.000 0.483 42 T N 3.279 117.545 114.554 -0.481 0.000 2.952 42 T HA 0.328 4.679 4.350 0.002 0.000 0.305 42 T C 0.539 174.838 174.700 -0.667 0.000 1.064 42 T CA 0.034 61.780 62.100 -0.589 0.000 1.008 42 T CB 1.271 69.996 68.868 -0.238 0.000 1.078 42 T HN 0.497 nan 8.240 nan 0.000 0.459 43 S N 1.874 117.142 115.700 -0.719 0.000 2.517 43 S HA 0.087 4.558 4.470 0.002 0.000 0.214 43 S C 1.490 175.981 174.600 -0.181 0.000 0.991 43 S CA 0.792 58.764 58.200 -0.379 0.000 0.906 43 S CB -0.140 62.847 63.200 -0.354 0.000 0.789 43 S HN 0.893 nan 8.310 nan 0.000 0.513 44 T N -1.828 112.612 114.554 -0.191 0.000 2.966 44 T HA 0.571 4.922 4.350 0.002 0.000 0.254 44 T C 0.649 175.280 174.700 -0.115 0.000 0.961 44 T CA 0.305 62.332 62.100 -0.122 0.000 0.915 44 T CB -0.169 68.629 68.868 -0.116 0.000 1.186 44 T HN 0.464 nan 8.240 nan 0.000 0.505 45 A N 1.725 124.449 122.820 -0.159 0.000 2.462 45 A HA 0.541 4.862 4.320 0.002 0.000 0.243 45 A C 1.271 178.779 177.584 -0.127 0.000 1.076 45 A CA -0.465 51.466 52.037 -0.177 0.000 0.773 45 A CB 0.317 19.152 19.000 -0.275 0.000 1.010 45 A HN 0.448 nan 8.150 nan 0.000 0.493 46 R N 0.182 120.620 120.500 -0.103 0.000 2.175 46 R HA 0.067 4.408 4.340 0.002 0.000 0.202 46 R C 0.195 176.456 176.300 -0.065 0.000 1.018 46 R CA 1.288 57.355 56.100 -0.055 0.000 1.029 46 R CB 0.169 30.446 30.300 -0.039 0.000 0.959 46 R HN 0.860 nan 8.270 nan 0.000 0.480 47 T N -1.658 112.830 114.554 -0.111 0.000 2.876 47 T HA 0.623 4.974 4.350 0.002 0.000 0.289 47 T C -0.529 174.051 174.700 -0.200 0.000 1.014 47 T CA -0.726 61.307 62.100 -0.111 0.000 0.986 47 T CB 2.474 71.301 68.868 -0.069 0.000 1.021 47 T HN -0.213 nan 8.240 nan 0.000 0.458 48 V N 1.382 121.162 119.914 -0.223 0.000 2.668 48 V HA 0.862 4.982 4.120 0.002 0.000 0.304 48 V C -0.212 175.816 176.094 -0.110 0.000 1.071 48 V CA -0.667 61.453 62.300 -0.299 0.000 0.894 48 V CB 1.293 32.637 31.823 -0.798 0.000 1.008 48 V HN 1.458 nan 8.190 nan 0.000 0.425 49 A N 3.512 126.319 122.820 -0.022 0.000 2.566 49 A HA 0.945 5.266 4.320 0.002 0.000 0.292 49 A C -1.454 176.233 177.584 0.172 0.000 1.112 49 A CA -0.717 51.357 52.037 0.061 0.000 0.707 49 A CB 2.296 21.311 19.000 0.025 0.000 1.302 49 A HN 1.146 nan 8.150 nan 0.000 0.409 50 V N 0.916 120.921 119.914 0.152 0.000 2.513 50 V HA 0.692 4.813 4.120 0.002 0.000 0.299 50 V C -0.139 175.954 176.094 -0.003 0.000 1.035 50 V CA -0.758 61.595 62.300 0.088 0.000 0.889 50 V CB 1.475 33.215 31.823 -0.139 0.000 0.988 50 V HN 0.898 nan 8.190 nan 0.000 0.440 51 R N 5.127 125.598 120.500 -0.049 0.000 2.215 51 R HA 0.654 4.995 4.340 0.002 0.000 0.336 51 R C -1.666 174.614 176.300 -0.034 0.000 0.996 51 R CA -0.376 55.707 56.100 -0.029 0.000 0.847 51 R CB 1.375 31.649 30.300 -0.043 0.000 1.127 51 R HN 0.628 nan 8.270 nan 0.000 0.465 52 V N 5.573 125.501 119.914 0.023 0.000 2.384 52 V HA 0.180 4.301 4.120 0.002 0.000 0.287 52 V C -0.004 176.132 176.094 0.070 0.000 1.020 52 V CA -0.934 61.382 62.300 0.028 0.000 0.850 52 V CB 1.536 33.334 31.823 -0.042 0.000 0.987 52 V HN 0.954 nan 8.190 nan 0.000 0.436 53 N N 4.065 122.804 118.700 0.066 0.000 2.721 53 N HA -0.232 4.509 4.740 0.002 0.000 0.249 53 N C 1.193 176.720 175.510 0.029 0.000 1.072 53 N CA 1.615 54.696 53.050 0.051 0.000 0.710 53 N CB -1.102 37.424 38.487 0.064 0.000 0.993 53 N HN 1.514 nan 8.380 nan 0.000 0.547 54 G N -2.906 105.901 108.800 0.011 0.000 2.217 54 G HA2 -0.299 3.661 3.960 0.002 0.000 0.246 54 G HA3 -0.299 3.661 3.960 0.002 0.000 0.246 54 G C 0.164 175.050 174.900 -0.024 0.000 0.990 54 G CA 0.602 45.697 45.100 -0.009 0.000 0.627 54 G HN 0.522 nan 8.290 nan 0.000 0.522 55 T N 1.744 116.289 114.554 -0.014 0.000 2.771 55 T HA 0.536 4.887 4.350 0.002 0.000 0.281 55 T C -0.212 174.393 174.700 -0.159 0.000 0.982 55 T CA -0.395 61.650 62.100 -0.091 0.000 0.978 55 T CB 1.836 70.659 68.868 -0.075 0.000 0.930 55 T HN 0.329 nan 8.240 nan 0.000 0.447 56 E N 2.845 122.914 120.200 -0.219 0.000 2.259 56 E HA 0.200 4.551 4.350 0.002 0.000 0.281 56 E C -0.358 176.043 176.600 -0.332 0.000 1.027 56 E CA -0.518 55.778 56.400 -0.173 0.000 0.838 56 E CB 0.675 30.317 29.700 -0.098 0.000 1.066 56 E HN 0.586 nan 8.360 nan 0.000 0.401 57 H N 1.690 120.740 119.070 -0.034 0.000 2.547 57 H HA 0.207 4.764 4.556 0.001 0.000 0.342 57 H C 0.108 175.439 175.328 0.005 0.000 1.048 57 H CA -0.626 55.413 56.048 -0.015 0.000 1.204 57 H CB 1.355 31.102 29.762 -0.025 0.000 1.493 57 H HN 0.236 nan 8.280 nan 0.000 0.511 61 S N 2.249 117.864 115.700 -0.142 0.000 2.474 61 S HA 0.442 4.913 4.470 0.002 0.000 0.276 61 S C 0.971 175.378 174.600 -0.322 0.000 1.227 61 S CA -0.678 57.180 58.200 -0.570 0.000 1.050 61 S CB -0.023 62.959 63.200 -0.363 0.000 0.939 61 S HN 0.595 nan 8.310 nan 0.000 0.490 62 L N 4.632 125.654 121.223 -0.336 0.000 2.590 62 L HA 0.411 4.751 4.340 0.002 0.000 0.227 62 L C 1.172 177.967 176.870 -0.125 0.000 1.099 62 L CA 0.197 54.940 54.840 -0.162 0.000 0.872 62 L CB -0.522 41.473 42.059 -0.107 0.000 1.088 62 L HN 0.934 nan 8.230 nan 0.000 0.479 63 G N -0.803 107.902 108.800 -0.158 0.000 2.629 63 G HA2 0.178 4.139 3.960 0.002 0.000 0.686 63 G HA3 0.178 4.139 3.960 0.002 0.000 0.686 63 G C 0.458 175.348 174.900 -0.017 0.000 1.232 63 G CA -0.485 44.572 45.100 -0.073 0.000 0.803 63 G HN 0.437 nan 8.290 nan 0.000 0.638 64 G N -0.803 108.022 108.800 0.042 0.000 2.168 64 G HA2 0.359 4.320 3.960 0.002 0.000 0.257 64 G HA3 0.359 4.320 3.960 0.002 0.000 0.257 64 G C 2.103 177.173 174.900 0.283 0.000 0.997 64 G CA 1.119 46.296 45.100 0.129 0.000 0.708 64 G HN 3.125 nan 8.290 nan 0.000 0.520 65 G N -1.595 107.320 108.800 0.191 0.000 2.155 65 G HA2 -0.231 3.730 3.960 0.002 0.000 0.257 65 G HA3 -0.231 3.730 3.960 0.002 0.000 0.257 65 G C 0.325 175.416 174.900 0.319 0.000 0.983 65 G CA 0.507 45.761 45.100 0.257 0.000 0.676 65 G HN 1.185 nan 8.290 nan 0.000 0.528 66 I N 0.285 120.935 120.570 0.134 0.000 2.396 66 I HA 0.518 4.689 4.170 0.002 0.000 0.292 66 I C 0.180 176.204 176.117 -0.156 0.000 0.999 66 I CA -1.066 60.300 61.300 0.110 0.000 1.310 66 I CB 0.616 38.647 38.000 0.052 0.000 1.404 66 I HN 0.077 nan 8.210 nan 0.000 0.496 67 Y N 3.713 124.030 120.300 0.029 0.000 2.462 67 Y HA 0.511 5.062 4.550 0.001 0.000 0.346 67 Y C 0.193 176.100 175.900 0.013 0.000 0.976 67 Y CA -0.667 57.438 58.100 0.009 0.000 1.044 67 Y CB 2.231 40.679 38.460 -0.021 0.000 1.230 67 Y HN 0.527 nan 8.280 nan 0.000 0.455 68 E N 2.417 122.710 120.200 0.155 0.000 2.383 68 E HA 0.706 5.057 4.350 0.002 0.000 0.275 68 E C -2.295 174.399 176.600 0.156 0.000 0.918 68 E CA -0.895 55.585 56.400 0.134 0.000 0.764 68 E CB 2.537 32.278 29.700 0.068 0.000 1.252 68 E HN 0.552 nan 8.360 nan 0.000 0.449 69 L N 2.050 123.391 121.223 0.196 0.000 2.545 69 L HA 0.413 4.754 4.340 0.002 0.000 0.258 69 L C -1.779 175.212 176.870 0.202 0.000 0.942 69 L CA -0.146 54.799 54.840 0.175 0.000 0.855 69 L CB 2.233 44.397 42.059 0.175 0.000 1.374 69 L HN 0.594 nan 8.230 nan 0.000 0.411 70 E N 4.635 124.903 120.200 0.113 0.000 2.151 70 E HA 0.710 5.061 4.350 0.002 0.000 0.275 70 E C -1.368 175.270 176.600 0.063 0.000 0.936 70 E CA -0.499 55.945 56.400 0.073 0.000 0.777 70 E CB 2.026 31.738 29.700 0.019 0.000 1.108 70 E HN 0.438 nan 8.360 nan 0.000 0.401 71 L N 3.409 124.680 121.223 0.079 0.000 2.371 71 L HA 0.393 4.734 4.340 0.002 0.000 0.262 71 L C -2.191 174.688 176.870 0.015 0.000 1.006 71 L CA -2.314 52.539 54.840 0.023 0.000 0.818 71 L CB 2.393 44.446 42.059 -0.011 0.000 1.354 71 L HN 0.348 nan 8.230 nan 0.000 0.415 72 P HA -0.007 nan 4.420 nan 0.000 0.269 72 P C -0.280 177.025 177.300 0.009 0.000 1.461 72 P CA 0.138 63.239 63.100 0.001 0.000 0.809 72 P CB -0.318 31.385 31.700 0.005 0.000 1.503 73 V N -3.081 116.847 119.914 0.024 0.000 2.743 73 V HA 0.852 4.973 4.120 0.002 0.000 0.301 73 V C 0.486 176.582 176.094 0.003 0.000 1.057 73 V CA -0.550 61.772 62.300 0.037 0.000 1.006 73 V CB 1.253 33.130 31.823 0.090 0.000 1.024 73 V HN 0.135 nan 8.190 nan 0.000 0.473 74 G N 2.292 111.096 108.800 0.006 0.000 2.820 74 G HA2 0.712 4.673 3.960 0.002 0.000 0.291 74 G HA3 0.712 4.673 3.960 0.002 0.000 0.291 74 G C -3.031 171.861 174.900 -0.014 0.000 1.323 74 G CA -1.962 43.127 45.100 -0.019 0.000 1.055 74 G HN 0.705 nan 8.290 nan 0.000 0.520 75 P HA 0.213 nan 4.420 nan 0.000 0.262 75 P C 0.893 178.199 177.300 0.010 0.000 1.182 75 P CA 1.709 64.792 63.100 -0.027 0.000 0.761 75 P CB 0.949 32.618 31.700 -0.053 0.000 0.795 76 G N 1.674 110.499 108.800 0.042 0.000 2.254 76 G HA2 -0.165 3.796 3.960 0.002 0.000 0.225 76 G HA3 -0.165 3.796 3.960 0.002 0.000 0.225 76 G C 0.454 175.411 174.900 0.095 0.000 1.003 76 G CA -0.041 45.098 45.100 0.066 0.000 0.622 76 G HN 0.841 nan 8.290 nan 0.000 0.507 77 A N 0.972 123.857 122.820 0.107 0.000 2.483 77 A HA 0.591 4.912 4.320 0.002 0.000 0.238 77 A C 0.659 178.376 177.584 0.221 0.000 1.070 77 A CA 0.489 52.615 52.037 0.148 0.000 0.770 77 A CB 0.240 19.339 19.000 0.166 0.000 1.008 77 A HN 0.408 nan 8.150 nan 0.000 0.497 78 R N 0.688 121.298 120.500 0.183 0.000 2.460 78 R HA 0.582 4.923 4.340 0.002 0.000 0.303 78 R C -1.121 175.285 176.300 0.176 0.000 0.968 78 R CA -0.200 55.988 56.100 0.146 0.000 0.889 78 R CB 1.065 31.392 30.300 0.045 0.000 1.123 78 R HN 0.853 nan 8.270 nan 0.000 0.455 79 Y N -0.005 120.264 120.300 -0.052 0.000 2.638 79 Y HA 0.722 5.273 4.550 0.001 0.000 0.335 79 Y C -1.474 174.288 175.900 -0.231 0.000 1.155 79 Y CA -1.468 56.535 58.100 -0.161 0.000 1.046 79 Y CB 1.044 39.377 38.460 -0.210 0.000 1.303 79 Y HN 0.351 nan 8.280 nan 0.000 0.460 80 L N -1.068 119.958 121.223 -0.328 0.000 2.654 80 L HA 0.788 5.128 4.340 0.002 0.000 0.257 80 L C -1.862 174.810 176.870 -0.330 0.000 1.093 80 L CA -1.463 53.123 54.840 -0.422 0.000 0.903 80 L CB 0.822 42.709 42.059 -0.287 0.000 1.520 80 L HN 0.599 nan 8.230 nan 0.000 0.402 81 F N -0.213 119.788 119.950 0.085 0.000 2.483 81 F HA 0.827 5.355 4.527 0.002 0.000 0.329 81 F C 0.016 175.796 175.800 -0.034 0.000 1.064 81 F CA -0.980 57.067 58.000 0.078 0.000 0.986 81 F CB 2.196 41.324 39.000 0.214 0.000 1.218 81 F HN 0.228 nan 8.300 nan 0.000 0.484 82 V N 3.972 123.978 119.914 0.154 0.000 2.349 82 V HA 0.374 4.495 4.120 0.002 0.000 0.284 82 V C -0.561 175.495 176.094 -0.063 0.000 1.014 82 V CA -0.657 61.645 62.300 0.004 0.000 0.826 82 V CB 1.322 33.139 31.823 -0.011 0.000 1.009 82 V HN 0.490 nan 8.190 nan 0.000 0.431 83 L N 4.271 125.416 121.223 -0.131 0.000 2.276 83 L HA 0.550 4.891 4.340 0.002 0.000 0.286 83 L C 0.107 176.884 176.870 -0.154 0.000 1.024 83 L CA -0.582 54.137 54.840 -0.202 0.000 0.826 83 L CB 1.191 43.058 42.059 -0.320 0.000 1.211 83 L HN 0.612 nan 8.230 nan 0.000 0.422 84 D N 3.526 123.842 120.400 -0.139 0.000 2.701 84 D HA -0.211 4.430 4.640 0.002 0.000 0.235 84 D C 1.198 177.450 176.300 -0.080 0.000 1.155 84 D CA 1.480 55.420 54.000 -0.101 0.000 0.649 84 D CB -0.747 39.995 40.800 -0.097 0.000 1.050 84 D HN 1.101 nan 8.370 nan 0.000 0.425 85 G N -2.335 106.419 108.800 -0.076 0.000 2.176 85 G HA2 -0.320 3.641 3.960 0.002 0.000 0.253 85 G HA3 -0.320 3.641 3.960 0.002 0.000 0.253 85 G C 0.362 175.226 174.900 -0.061 0.000 0.979 85 G CA 0.214 45.277 45.100 -0.061 0.000 0.641 85 G HN 0.632 nan 8.290 nan 0.000 0.530 86 V N 2.476 122.345 119.914 -0.074 0.000 2.364 86 V HA 0.442 4.562 4.120 0.002 0.000 0.272 86 V C -1.774 174.272 176.094 -0.080 0.000 1.036 86 V CA -1.691 60.566 62.300 -0.071 0.000 0.880 86 V CB 1.463 33.243 31.823 -0.072 0.000 0.991 86 V HN 0.104 nan 8.190 nan 0.000 0.460 87 P HA 0.239 nan 4.420 nan 0.000 0.267 87 P C -0.364 176.859 177.300 -0.128 0.000 1.209 87 P CA 0.287 63.338 63.100 -0.083 0.000 0.763 87 P CB 0.379 32.031 31.700 -0.079 0.000 0.816 88 T N 4.989 119.462 114.554 -0.136 0.000 2.937 88 T HA 0.399 4.750 4.350 0.002 0.000 0.297 88 T C -2.654 171.933 174.700 -0.188 0.000 0.991 88 T CA -1.575 60.384 62.100 -0.236 0.000 0.990 88 T CB 1.376 70.139 68.868 -0.176 0.000 0.991 88 T HN 0.095 nan 8.240 nan 0.000 0.440 89 P HA 0.099 nan 4.420 nan 0.000 0.269 89 P C -0.558 176.794 177.300 0.086 0.000 1.217 89 P CA -0.293 62.665 63.100 -0.237 0.000 0.783 89 P CB 0.457 31.962 31.700 -0.325 0.000 0.898 90 D N 2.144 122.593 120.400 0.081 0.000 2.325 90 D HA 0.124 4.765 4.640 0.002 0.000 0.251 90 D C -1.704 174.725 176.300 0.215 0.000 1.196 90 D CA -2.159 52.032 54.000 0.319 0.000 0.866 90 D CB 0.373 41.381 40.800 0.347 0.000 1.101 90 D HN 0.099 nan 8.370 nan 0.000 0.476 91 P HA -0.086 nan 4.420 nan 0.000 0.222 91 P C 0.226 177.526 177.300 0.000 0.000 1.147 91 P CA 0.989 64.099 63.100 0.016 0.000 0.790 91 P CB -0.009 31.526 31.700 -0.273 0.000 0.780 92 Y N -0.915 119.460 120.300 0.125 0.000 2.470 92 Y HA 0.367 4.918 4.550 0.001 0.000 0.284 92 Y C 1.249 177.159 175.900 0.016 0.000 1.188 92 Y CA -0.774 57.257 58.100 -0.115 0.000 1.269 92 Y CB -0.809 37.530 38.460 -0.203 0.000 1.094 92 Y HN -0.164 nan 8.280 nan 0.000 0.518 93 A N 0.921 123.894 122.820 0.254 0.000 2.567 93 A HA 0.016 4.337 4.320 0.002 0.000 0.240 93 A C 1.260 179.019 177.584 0.290 0.000 1.053 93 A CA -0.137 52.047 52.037 0.245 0.000 0.755 93 A CB 0.420 19.494 19.000 0.124 0.000 0.978 93 A HN 0.355 nan 8.150 nan 0.000 0.507 94 R N 0.542 121.228 120.500 0.310 0.000 2.246 94 R HA 0.212 4.553 4.340 0.002 0.000 0.199 94 R C -0.667 175.912 176.300 0.466 0.000 0.984 94 R CA 0.547 56.869 56.100 0.370 0.000 1.015 94 R CB -0.360 30.111 30.300 0.285 0.000 0.930 94 R HN 0.677 nan 8.270 nan 0.000 0.475 95 F N -0.661 119.387 119.950 0.164 0.000 2.688 95 F HA 0.373 4.901 4.527 0.002 0.000 0.308 95 F C -1.578 174.262 175.800 0.067 0.000 1.117 95 F CA -1.261 56.820 58.000 0.135 0.000 0.976 95 F CB 1.278 40.351 39.000 0.123 0.000 1.291 95 F HN -0.240 nan 8.300 nan 0.000 0.439 96 L N 7.282 128.097 121.223 -0.679 0.000 2.488 96 L HA 0.349 4.689 4.340 0.002 0.000 0.250 96 L C -1.902 174.516 176.870 -0.754 0.000 1.280 96 L CA -1.298 53.238 54.840 -0.507 0.000 0.929 96 L CB 1.532 43.434 42.059 -0.261 0.000 1.200 96 L HN 0.403 nan 8.230 nan 0.000 0.495 97 P HA -0.096 nan 4.420 nan 0.000 0.222 97 P C 0.263 177.391 177.300 -0.287 0.000 1.147 97 P CA 1.084 63.884 63.100 -0.500 0.000 0.790 97 P CB 0.370 31.995 31.700 -0.125 0.000 0.780 98 D N -0.627 119.633 120.400 -0.234 0.000 2.424 98 D HA 0.307 4.948 4.640 0.002 0.000 0.220 98 D C 1.213 177.423 176.300 -0.150 0.000 1.150 98 D CA 0.385 54.293 54.000 -0.153 0.000 0.831 98 D CB 0.450 41.190 40.800 -0.100 0.000 0.981 98 D HN 0.113 nan 8.370 nan 0.000 0.500 99 G N 0.720 109.389 108.800 -0.219 0.000 2.728 99 G HA2 -0.269 3.692 3.960 0.002 0.000 0.294 99 G HA3 -0.269 3.692 3.960 0.002 0.000 0.294 99 G C 0.959 175.760 174.900 -0.165 0.000 1.342 99 G CA -0.288 44.699 45.100 -0.187 0.000 0.866 99 G HN 0.354 nan 8.290 nan 0.000 0.534 100 V N -2.987 116.812 119.914 -0.193 0.000 3.141 100 V HA 0.094 4.215 4.120 0.002 0.000 0.265 100 V C 1.680 177.629 176.094 -0.242 0.000 1.126 100 V CA 2.261 64.440 62.300 -0.202 0.000 1.141 100 V CB -0.552 31.151 31.823 -0.201 0.000 0.743 100 V HN 0.774 nan 8.190 nan 0.000 0.492 101 H N 0.625 119.740 119.070 0.075 0.000 2.586 101 H HA 0.496 5.052 4.556 0.001 0.000 0.273 101 H C 1.146 176.440 175.328 -0.057 0.000 0.997 101 H CA 0.544 56.632 56.048 0.066 0.000 1.177 101 H CB 0.609 30.427 29.762 0.094 0.000 1.471 101 H HN 0.602 nan 8.280 nan 0.000 0.538 102 G N 0.318 109.100 108.800 -0.029 0.000 2.705 102 G HA2 0.280 4.241 3.960 0.002 0.000 0.299 102 G HA3 0.280 4.241 3.960 0.002 0.000 0.299 102 G C -0.265 174.540 174.900 -0.159 0.000 1.315 102 G CA -0.655 44.395 45.100 -0.084 0.000 1.045 102 G HN 0.113 nan 8.290 nan 0.000 0.517 103 E N -0.468 119.631 120.200 -0.168 0.000 2.398 103 E HA 0.384 4.735 4.350 0.002 0.000 0.263 103 E C 0.477 176.901 176.600 -0.293 0.000 1.046 103 E CA -0.091 56.161 56.400 -0.247 0.000 0.908 103 E CB 1.016 30.608 29.700 -0.181 0.000 0.963 103 E HN 0.535 nan 8.360 nan 0.000 0.431 104 A N 2.591 125.107 122.820 -0.506 0.000 2.287 104 A HA 0.204 4.525 4.320 0.002 0.000 0.273 104 A C -0.047 177.415 177.584 -0.204 0.000 1.091 104 A CA -0.334 51.446 52.037 -0.430 0.000 0.817 104 A CB 0.692 19.285 19.000 -0.678 0.000 1.069 104 A HN 0.714 nan 8.150 nan 0.000 0.492 105 E N 0.483 120.724 120.200 0.069 0.000 2.183 105 E HA 0.508 4.859 4.350 0.002 0.000 0.271 105 E C -1.297 175.496 176.600 0.323 0.000 0.919 105 E CA -0.689 55.844 56.400 0.222 0.000 0.781 105 E CB 1.540 31.400 29.700 0.267 0.000 1.140 105 E HN 0.398 nan 8.360 nan 0.000 0.402 106 V N 4.096 124.191 119.914 0.302 0.000 2.572 106 V HA 0.133 4.254 4.120 0.002 0.000 0.291 106 V C -0.056 176.054 176.094 0.027 0.000 1.039 106 V CA -0.194 62.196 62.300 0.150 0.000 1.055 106 V CB 1.072 32.912 31.823 0.028 0.000 0.969 106 V HN 0.451 nan 8.190 nan 0.000 0.482 107 V N 3.850 123.713 119.914 -0.084 0.000 2.604 107 V HA 0.444 4.565 4.120 0.002 0.000 0.305 107 V C -0.543 175.294 176.094 -0.428 0.000 1.043 107 V CA -0.651 61.494 62.300 -0.258 0.000 0.888 107 V CB 2.122 33.734 31.823 -0.351 0.000 0.995 107 V HN 0.921 nan 8.190 nan 0.000 0.429 108 D N 2.666 122.847 120.400 -0.365 0.000 2.414 108 D HA 0.377 5.018 4.640 0.002 0.000 0.232 108 D C 0.246 176.377 176.300 -0.282 0.000 1.070 108 D CA -0.475 53.349 54.000 -0.293 0.000 0.839 108 D CB 1.254 41.976 40.800 -0.129 0.000 1.079 108 D HN 0.283 nan 8.370 nan 0.000 0.521 109 F N 1.768 121.712 119.950 -0.010 0.000 2.604 109 F HA 0.182 4.710 4.527 0.001 0.000 0.298 109 F C 2.425 178.264 175.800 0.065 0.000 1.131 109 F CA 0.402 58.394 58.000 -0.014 0.000 1.457 109 F CB -0.070 38.914 39.000 -0.027 0.000 1.095 109 F HN 0.542 nan 8.300 nan 0.000 0.574 110 G N -1.033 107.878 108.800 0.185 0.000 2.650 110 G HA2 -0.108 3.853 3.960 0.002 0.000 0.214 110 G HA3 -0.108 3.853 3.960 0.002 0.000 0.214 110 G C 1.632 176.606 174.900 0.123 0.000 1.136 110 G CA 0.999 46.197 45.100 0.162 0.000 0.789 110 G HN 0.282 nan 8.290 nan 0.000 0.536 111 T N 0.624 115.227 114.554 0.082 0.000 2.770 111 T HA 0.029 4.380 4.350 0.002 0.000 0.263 111 T C 0.858 175.574 174.700 0.025 0.000 1.039 111 T CA -0.036 62.085 62.100 0.035 0.000 1.142 111 T CB -0.184 68.686 68.868 0.004 0.000 0.868 111 T HN 0.150 nan 8.240 nan 0.000 0.435 112 F N 3.232 123.098 119.950 -0.139 0.000 2.607 112 F HA 0.079 4.607 4.527 0.002 0.000 0.374 112 F C -0.079 175.524 175.800 -0.330 0.000 1.104 112 F CA -0.596 57.212 58.000 -0.321 0.000 1.296 112 F CB 0.363 39.028 39.000 -0.558 0.000 1.085 112 F HN -0.013 nan 8.300 nan 0.000 0.584 113 D N 6.816 126.623 120.400 -0.987 0.000 2.500 113 D HA 0.055 4.696 4.640 0.002 0.000 0.219 113 D C -0.727 175.197 176.300 -0.627 0.000 1.137 113 D CA 0.048 53.702 54.000 -0.577 0.000 0.946 113 D CB -0.139 40.387 40.800 -0.456 0.000 1.022 113 D HN 0.409 nan 8.370 nan 0.000 0.518 114 W N 0.799 122.048 121.300 -0.085 0.000 2.193 114 W HA 0.048 4.708 4.660 0.001 0.000 0.338 114 W C 1.776 178.319 176.519 0.039 0.000 1.310 114 W CA -0.159 57.238 57.345 0.087 0.000 1.243 114 W CB 0.600 30.164 29.460 0.172 0.000 1.165 114 W HN 0.210 nan 8.180 nan 0.000 0.566 115 T N -2.202 112.549 114.554 0.329 0.000 3.182 115 T HA 0.001 4.352 4.350 0.002 0.000 0.277 115 T C 0.215 175.057 174.700 0.237 0.000 1.013 115 T CA -0.247 61.977 62.100 0.206 0.000 0.900 115 T CB -0.253 68.675 68.868 0.100 0.000 1.098 115 T HN 0.431 nan 8.240 nan 0.000 0.543 116 D N 0.666 121.271 120.400 0.341 0.000 2.615 116 D HA 0.410 5.050 4.640 0.002 0.000 0.236 116 D C 1.452 177.866 176.300 0.190 0.000 1.233 116 D CA -0.333 53.841 54.000 0.291 0.000 0.829 116 D CB 0.167 41.224 40.800 0.430 0.000 1.024 116 D HN 0.345 nan 8.370 nan 0.000 0.490 117 A N 0.577 123.485 122.820 0.146 0.000 2.019 117 A HA -0.165 4.156 4.320 0.002 0.000 0.219 117 A C 1.443 179.001 177.584 -0.043 0.000 1.164 117 A CA 1.089 53.169 52.037 0.072 0.000 0.644 117 A CB -0.151 18.906 19.000 0.094 0.000 0.805 117 A HN 0.108 nan 8.150 nan 0.000 0.449 118 D N -1.827 118.545 120.400 -0.047 0.000 2.328 118 D HA 0.027 4.668 4.640 0.002 0.000 0.221 118 D C 0.075 176.134 176.300 -0.403 0.000 1.072 118 D CA -0.122 53.778 54.000 -0.167 0.000 0.850 118 D CB -0.101 40.702 40.800 0.005 0.000 0.922 118 D HN 0.704 nan 8.370 nan 0.000 0.516 119 W N 0.920 121.890 121.300 -0.549 0.000 2.390 119 W HA 0.187 4.848 4.660 0.001 0.000 0.312 119 W C -0.653 175.417 176.519 -0.749 0.000 1.123 119 W CA -0.235 56.785 57.345 -0.542 0.000 1.202 119 W CB 0.538 29.741 29.460 -0.429 0.000 1.251 119 W HN 0.009 nan 8.180 nan 0.000 0.511 120 H N 3.782 122.235 119.070 -1.027 0.000 2.549 120 H HA 0.329 4.886 4.556 0.001 0.000 0.253 120 H C 0.904 175.645 175.328 -0.978 0.000 1.170 120 H CA 0.286 55.855 56.048 -0.797 0.000 0.943 120 H CB 0.410 29.893 29.762 -0.466 0.000 1.849 120 H HN 0.735 nan 8.280 nan 0.000 0.603 121 G N 0.911 108.786 108.800 -1.541 0.000 2.741 121 G HA2 -0.254 3.707 3.960 0.002 0.000 0.222 121 G HA3 -0.254 3.707 3.960 0.002 0.000 0.222 121 G C -0.797 173.707 174.900 -0.660 0.000 1.364 121 G CA -0.266 44.389 45.100 -0.742 0.000 0.866 121 G HN 0.384 nan 8.290 nan 0.000 0.555 122 I N -0.648 119.856 120.570 -0.110 0.000 2.722 122 I HA 0.585 4.756 4.170 0.002 0.000 0.295 122 I C 0.023 176.181 176.117 0.068 0.000 1.161 122 I CA -1.147 60.160 61.300 0.011 0.000 1.032 122 I CB 1.628 39.798 38.000 0.284 0.000 1.244 122 I HN 0.680 nan 8.210 nan 0.000 0.421 123 K N 4.882 125.287 120.400 0.007 0.000 2.154 123 K HA 0.191 4.512 4.320 0.002 0.000 0.264 123 K C 0.541 177.167 176.600 0.042 0.000 1.008 123 K CA -0.580 55.720 56.287 0.022 0.000 0.937 123 K CB 1.322 33.805 32.500 -0.029 0.000 1.002 123 K HN 0.474 nan 8.250 nan 0.000 0.469 124 L N 2.989 124.253 121.223 0.068 0.000 2.042 124 L HA -0.191 4.150 4.340 0.002 0.000 0.210 124 L C 2.011 178.855 176.870 -0.043 0.000 1.076 124 L CA 2.049 56.918 54.840 0.049 0.000 0.749 124 L CB -0.792 41.326 42.059 0.099 0.000 0.893 124 L HN 0.871 nan 8.230 nan 0.000 0.432 125 A N -1.285 121.512 122.820 -0.038 0.000 2.076 125 A HA -0.182 4.139 4.320 0.002 0.000 0.220 125 A C 1.678 179.208 177.584 -0.089 0.000 1.160 125 A CA 1.806 53.806 52.037 -0.063 0.000 0.653 125 A CB -0.607 18.361 19.000 -0.054 0.000 0.801 125 A HN 0.580 nan 8.150 nan 0.000 0.455 126 D N -1.181 119.164 120.400 -0.091 0.000 2.349 126 D HA 0.129 4.770 4.640 0.002 0.000 0.214 126 D C -0.129 176.085 176.300 -0.144 0.000 1.063 126 D CA 0.045 53.985 54.000 -0.100 0.000 0.847 126 D CB -0.217 40.540 40.800 -0.071 0.000 0.933 126 D HN 0.302 nan 8.370 nan 0.000 0.513 127 C N 1.234 120.385 119.300 -0.248 0.000 2.514 127 C HA 0.381 4.842 4.460 0.002 0.000 0.392 127 C C 0.641 175.351 174.990 -0.467 0.000 1.294 127 C CA -0.616 58.093 59.018 -0.514 0.000 1.957 127 C CB 0.737 27.822 27.740 -1.091 0.000 2.541 127 C HN -0.026 nan 8.230 nan 0.000 0.569 128 V N 4.965 124.644 119.914 -0.391 0.000 2.380 128 V HA 0.332 4.453 4.120 0.002 0.000 0.286 128 V C -0.355 175.624 176.094 -0.193 0.000 1.015 128 V CA -0.271 61.890 62.300 -0.232 0.000 0.834 128 V CB 0.400 32.183 31.823 -0.068 0.000 1.009 128 V HN 0.665 nan 8.190 nan 0.000 0.428 129 F N 3.707 123.645 119.950 -0.020 0.000 2.410 129 F HA 0.455 4.983 4.527 0.002 0.000 0.334 129 F C -0.135 175.730 175.800 0.108 0.000 1.134 129 F CA -0.335 57.666 58.000 0.001 0.000 1.227 129 F CB 0.646 39.601 39.000 -0.075 0.000 1.194 129 F HN 0.478 nan 8.300 nan 0.000 0.571 130 Y N 1.966 122.395 120.300 0.216 0.000 2.333 130 Y HA 0.256 4.807 4.550 0.002 0.000 0.324 130 Y C -0.494 175.437 175.900 0.051 0.000 1.033 130 Y CA -0.851 57.310 58.100 0.102 0.000 1.224 130 Y CB 0.855 39.362 38.460 0.079 0.000 1.120 130 Y HN 0.656 nan 8.280 nan 0.000 0.457 131 E N 5.734 125.821 120.200 -0.188 0.000 2.223 131 E HA 0.466 4.817 4.350 0.002 0.000 0.282 131 E C -1.200 175.169 176.600 -0.385 0.000 1.046 131 E CA -0.567 55.766 56.400 -0.112 0.000 0.857 131 E CB 0.788 30.551 29.700 0.106 0.000 1.055 131 E HN 0.502 nan 8.360 nan 0.000 0.409 132 V N 2.584 122.355 119.914 -0.239 0.000 2.604 132 V HA 0.373 4.494 4.120 0.002 0.000 0.305 132 V C -0.663 175.331 176.094 -0.166 0.000 1.043 132 V CA -0.892 61.190 62.300 -0.363 0.000 0.888 132 V CB 1.698 33.127 31.823 -0.657 0.000 0.995 132 V HN 0.758 nan 8.190 nan 0.000 0.429 133 H N 3.822 122.796 119.070 -0.160 0.000 2.641 133 H HA 0.403 4.960 4.556 0.001 0.000 0.295 133 H C 0.547 175.943 175.328 0.114 0.000 1.070 133 H CA -0.116 55.967 56.048 0.059 0.000 1.257 133 H CB 2.020 31.944 29.762 0.269 0.000 1.393 133 H HN 0.674 nan 8.280 nan 0.000 0.464 134 V N 4.698 124.308 119.914 -0.506 0.000 2.324 134 V HA -0.276 3.845 4.120 0.002 0.000 0.250 134 V C 2.569 178.471 176.094 -0.319 0.000 1.060 134 V CA 2.296 64.289 62.300 -0.512 0.000 1.042 134 V CB -0.713 30.503 31.823 -1.012 0.000 0.650 134 V HN 0.915 nan 8.190 nan 0.000 0.450 135 G N -0.273 108.324 108.800 -0.339 0.000 2.422 135 G HA2 -0.214 3.747 3.960 0.002 0.000 0.218 135 G HA3 -0.214 3.747 3.960 0.002 0.000 0.218 135 G C 1.597 176.859 174.900 0.603 0.000 1.140 135 G CA 1.568 46.952 45.100 0.474 0.000 0.775 135 G HN 0.616 nan 8.290 nan 0.000 0.545 136 T N -3.140 111.847 114.554 0.721 0.000 3.001 136 T HA 0.172 4.523 4.350 0.002 0.000 0.251 136 T C 1.851 176.808 174.700 0.427 0.000 1.040 136 T CA -0.049 62.336 62.100 0.475 0.000 0.985 136 T CB -0.154 69.071 68.868 0.594 0.000 1.011 136 T HN 0.044 nan 8.240 nan 0.000 0.509 137 F N 4.460 124.580 119.950 0.284 0.000 2.202 137 F HA 0.094 4.622 4.527 0.002 0.000 0.301 137 F C 0.894 176.995 175.800 0.501 0.000 1.082 137 F CA 1.181 59.371 58.000 0.317 0.000 1.313 137 F CB -0.375 38.773 39.000 0.246 0.000 1.024 137 F HN 0.356 nan 8.300 nan 0.000 0.495 138 T N -4.527 110.211 114.554 0.307 0.000 2.883 138 T HA 0.395 4.746 4.350 0.002 0.000 0.296 138 T C -2.020 172.758 174.700 0.131 0.000 1.117 138 T CA -1.807 60.382 62.100 0.148 0.000 1.006 138 T CB 1.541 70.391 68.868 -0.030 0.000 1.191 138 T HN -0.360 nan 8.240 nan 0.000 0.508 139 P HA -0.089 nan 4.420 nan 0.000 0.215 139 P C 1.135 178.472 177.300 0.060 0.000 1.157 139 P CA 1.306 64.436 63.100 0.050 0.000 0.874 139 P CB 0.056 31.769 31.700 0.022 0.000 0.790 140 E N -1.365 118.866 120.200 0.050 0.000 2.150 140 E HA 0.059 4.410 4.350 0.002 0.000 0.193 140 E C 1.370 178.045 176.600 0.124 0.000 0.985 140 E CA 1.105 57.547 56.400 0.069 0.000 0.814 140 E CB -0.903 28.820 29.700 0.039 0.000 0.752 140 E HN 0.208 nan 8.360 nan 0.000 0.466 141 G N 1.190 110.073 108.800 0.137 0.000 2.225 141 G HA2 -0.275 3.686 3.960 0.002 0.000 0.264 141 G HA3 -0.275 3.686 3.960 0.002 0.000 0.264 141 G C 0.208 175.164 174.900 0.093 0.000 1.060 141 G CA 0.599 45.812 45.100 0.189 0.000 0.833 141 G HN 0.422 nan 8.290 nan 0.000 0.498 142 T N -4.027 110.539 114.554 0.020 0.000 2.887 142 T HA 0.654 5.005 4.350 0.002 0.000 0.292 142 T C 0.966 175.622 174.700 -0.073 0.000 1.087 142 T CA -0.324 61.724 62.100 -0.087 0.000 1.009 142 T CB 1.361 70.228 68.868 -0.003 0.000 1.203 142 T HN 0.147 nan 8.240 nan 0.000 0.518 143 Y N 0.122 120.472 120.300 0.085 0.000 2.181 143 Y HA -0.084 4.467 4.550 0.001 0.000 0.288 143 Y C 3.026 178.959 175.900 0.055 0.000 1.146 143 Y CA 0.367 58.503 58.100 0.060 0.000 1.164 143 Y CB -0.196 38.306 38.460 0.070 0.000 0.982 143 Y HN 0.355 nan 8.280 nan 0.000 0.515 144 R N 0.496 121.117 120.500 0.201 0.000 2.091 144 R HA -0.151 4.190 4.340 0.002 0.000 0.238 144 R C 2.458 178.801 176.300 0.072 0.000 1.136 144 R CA 1.280 57.450 56.100 0.117 0.000 0.959 144 R CB -1.179 29.170 30.300 0.082 0.000 0.856 144 R HN 0.410 nan 8.270 nan 0.000 0.437 145 A N 0.913 123.767 122.820 0.058 0.000 1.930 145 A HA -0.037 4.284 4.320 0.002 0.000 0.217 145 A C 2.373 179.977 177.584 0.033 0.000 1.175 145 A CA 1.726 53.769 52.037 0.009 0.000 0.627 145 A CB -0.518 18.480 19.000 -0.004 0.000 0.815 145 A HN 0.348 nan 8.150 nan 0.000 0.443 146 A N -0.023 122.895 122.820 0.164 0.000 1.902 146 A HA 0.161 4.482 4.320 0.002 0.000 0.217 146 A C 2.489 180.213 177.584 0.234 0.000 1.181 146 A CA 1.991 54.234 52.037 0.345 0.000 0.623 146 A CB -1.017 18.203 19.000 0.366 0.000 0.818 146 A HN 1.085 nan 8.150 nan 0.000 0.443 147 A N -0.241 122.662 122.820 0.138 0.000 1.978 147 A HA -0.169 4.152 4.320 0.002 0.000 0.220 147 A C 1.786 179.395 177.584 0.042 0.000 1.170 147 A CA 1.726 53.811 52.037 0.080 0.000 0.636 147 A CB -0.419 18.613 19.000 0.054 0.000 0.810 147 A HN 0.461 nan 8.150 nan 0.000 0.448 148 E N 0.129 120.331 120.200 0.003 0.000 2.338 148 E HA -0.107 4.244 4.350 0.002 0.000 0.197 148 E C 1.074 177.621 176.600 -0.089 0.000 1.007 148 E CA 0.719 57.084 56.400 -0.058 0.000 0.849 148 E CB -0.096 29.539 29.700 -0.108 0.000 0.774 148 E HN 0.511 nan 8.360 nan 0.000 0.506 149 K N 0.283 120.650 120.400 -0.054 0.000 2.374 149 K HA 0.170 4.491 4.320 0.002 0.000 0.196 149 K C 2.034 178.735 176.600 0.167 0.000 1.023 149 K CA -0.102 56.163 56.287 -0.037 0.000 1.103 149 K CB 0.254 32.666 32.500 -0.146 0.000 0.848 149 K HN 0.162 nan 8.250 nan 0.000 0.528 150 L N 1.151 122.444 121.223 0.116 0.000 2.012 150 L HA -0.158 4.183 4.340 0.002 0.000 0.210 150 L C -0.668 176.239 176.870 0.062 0.000 1.073 150 L CA 1.613 56.506 54.840 0.088 0.000 0.748 150 L CB -1.602 40.481 42.059 0.039 0.000 0.891 150 L HN 0.052 nan 8.230 nan 0.000 0.431 151 P HA -0.240 nan 4.420 nan 0.000 0.216 151 P C 1.386 178.725 177.300 0.064 0.000 1.150 151 P CA 1.363 64.489 63.100 0.043 0.000 0.837 151 P CB -0.091 31.631 31.700 0.037 0.000 0.786 152 Y N 0.452 120.752 120.300 0.001 0.000 2.145 152 Y HA -0.188 4.363 4.550 0.001 0.000 0.286 152 Y C 1.978 177.902 175.900 0.040 0.000 1.145 152 Y CA 1.519 59.640 58.100 0.035 0.000 1.148 152 Y CB -1.133 37.363 38.460 0.060 0.000 0.981 152 Y HN -0.207 nan 8.280 nan 0.000 0.507 153 L N 0.198 121.343 121.223 -0.129 0.000 2.046 153 L HA -0.199 4.142 4.340 0.002 0.000 0.208 153 L C 2.542 179.275 176.870 -0.228 0.000 1.077 153 L CA 1.763 56.423 54.840 -0.298 0.000 0.747 153 L CB -0.662 41.293 42.059 -0.172 0.000 0.896 153 L HN 0.138 nan 8.230 nan 0.000 0.432 154 K N 0.881 121.214 120.400 -0.112 0.000 2.032 154 K HA -0.260 4.061 4.320 0.002 0.000 0.209 154 K C 1.987 178.539 176.600 -0.081 0.000 1.048 154 K CA 1.847 58.094 56.287 -0.067 0.000 0.927 154 K CB -0.195 32.290 32.500 -0.026 0.000 0.712 154 K HN 0.114 nan 8.250 nan 0.000 0.441 155 E N -0.154 119.987 120.200 -0.098 0.000 2.150 155 E HA -0.113 4.238 4.350 0.002 0.000 0.193 155 E C 1.815 178.344 176.600 -0.117 0.000 0.985 155 E CA 0.868 57.221 56.400 -0.078 0.000 0.814 155 E CB -0.378 29.295 29.700 -0.044 0.000 0.752 155 E HN 0.287 nan 8.360 nan 0.000 0.466 156 L N -0.492 120.580 121.223 -0.252 0.000 2.043 156 L HA -0.048 4.293 4.340 0.002 0.000 0.212 156 L C 1.696 178.520 176.870 -0.077 0.000 1.075 156 L CA 2.514 57.219 54.840 -0.224 0.000 0.752 156 L CB -0.437 41.363 42.059 -0.432 0.000 0.891 156 L HN 0.359 nan 8.230 nan 0.000 0.432 157 G N -2.031 106.724 108.800 -0.075 0.000 2.192 157 G HA2 -0.162 3.799 3.960 0.002 0.000 0.193 157 G HA3 -0.162 3.799 3.960 0.002 0.000 0.193 157 G C 0.300 175.195 174.900 -0.008 0.000 0.999 157 G CA 0.176 45.263 45.100 -0.022 0.000 0.659 157 G HN 0.855 nan 8.290 nan 0.000 0.503 158 V N -0.464 119.437 119.914 -0.022 0.000 3.051 158 V HA 0.805 4.926 4.120 0.002 0.000 0.306 158 V C 1.220 177.313 176.094 -0.002 0.000 1.083 158 V CA 1.351 63.657 62.300 0.010 0.000 1.104 158 V CB 1.384 33.246 31.823 0.064 0.000 1.027 158 V HN 1.035 nan 8.190 nan 0.000 0.483 159 T N -1.543 113.011 114.554 -0.001 0.000 2.986 159 T HA 0.669 5.020 4.350 0.002 0.000 0.264 159 T C 0.317 175.059 174.700 0.071 0.000 0.964 159 T CA 0.433 62.547 62.100 0.023 0.000 0.895 159 T CB 0.234 69.103 68.868 0.002 0.000 1.163 159 T HN 1.799 nan 8.240 nan 0.000 0.517 160 A N 1.498 124.349 122.820 0.052 0.000 2.488 160 A HA 0.692 5.012 4.320 0.002 0.000 0.298 160 A C -1.255 176.509 177.584 0.299 0.000 1.044 160 A CA -0.813 51.336 52.037 0.187 0.000 0.693 160 A CB 1.088 20.051 19.000 -0.062 0.000 1.272 160 A HN 0.272 nan 8.150 nan 0.000 0.402 161 I N 2.146 122.934 120.570 0.363 0.000 2.304 161 I HA 0.324 4.495 4.170 0.002 0.000 0.291 161 I C 0.189 176.539 176.117 0.389 0.000 1.018 161 I CA -0.253 61.237 61.300 0.318 0.000 1.260 161 I CB 1.011 39.125 38.000 0.190 0.000 1.390 161 I HN 0.804 nan 8.210 nan 0.000 0.475 162 Q N 6.782 126.771 119.800 0.314 0.000 2.398 162 Q HA 0.453 4.794 4.340 0.002 0.000 0.251 162 Q C -0.998 175.076 176.000 0.124 0.000 0.999 162 Q CA -0.237 55.705 55.803 0.232 0.000 0.874 162 Q CB 1.070 29.885 28.738 0.129 0.000 1.215 162 Q HN 0.498 nan 8.270 nan 0.000 0.470 166 L N -0.157 120.988 121.223 -0.129 0.000 2.731 166 L HA 0.465 4.806 4.340 0.002 0.000 0.240 166 L C 0.939 177.973 176.870 0.275 0.000 1.120 166 L CA -0.196 54.738 54.840 0.156 0.000 0.913 166 L CB 0.189 42.296 42.059 0.080 0.000 1.213 166 L HN 0.561 nan 8.230 nan 0.000 0.515 167 A N 1.459 124.404 122.820 0.209 0.000 2.540 167 A HA 0.420 4.741 4.320 0.002 0.000 0.239 167 A C 0.818 178.617 177.584 0.359 0.000 1.061 167 A CA 0.192 52.447 52.037 0.363 0.000 0.758 167 A CB 0.058 19.226 19.000 0.280 0.000 0.991 167 A HN 0.284 nan 8.150 nan 0.000 0.502 168 A N 2.304 125.331 122.820 0.343 0.000 2.546 168 A HA 0.498 4.819 4.320 0.002 0.000 0.243 168 A C 0.039 177.755 177.584 0.220 0.000 1.063 168 A CA 0.365 52.531 52.037 0.214 0.000 0.757 168 A CB -0.640 18.448 19.000 0.147 0.000 0.991 168 A HN 1.497 nan 8.150 nan 0.000 0.503 169 F N -0.000 119.988 119.950 0.064 0.000 2.631 169 F HA 0.714 5.242 4.527 0.001 0.000 0.328 169 F C -0.306 175.509 175.800 0.024 0.000 1.067 169 F CA -1.726 56.270 58.000 -0.007 0.000 0.969 169 F CB 0.748 39.670 39.000 -0.130 0.000 1.332 169 F HN 0.413 nan 8.300 nan 0.000 0.490 170 D N 0.160 120.691 120.400 0.219 0.000 2.339 170 D HA 0.487 5.128 4.640 0.002 0.000 0.245 170 D C 0.412 176.765 176.300 0.088 0.000 1.115 170 D CA 1.617 55.685 54.000 0.113 0.000 0.917 170 D CB 1.288 42.212 40.800 0.207 0.000 1.192 170 D HN 1.131 nan 8.370 nan 0.000 0.428 171 G N 2.219 111.048 108.800 0.049 0.000 2.757 171 G HA2 -0.168 3.793 3.960 0.002 0.000 0.638 171 G HA3 -0.168 3.793 3.960 0.002 0.000 0.638 171 G C 0.156 175.095 174.900 0.065 0.000 1.344 171 G CA -0.363 44.757 45.100 0.034 0.000 0.855 171 G HN 0.448 nan 8.290 nan 0.000 0.537 172 Q N 0.055 119.877 119.800 0.038 0.000 2.282 172 Q HA 0.139 4.480 4.340 0.002 0.000 0.206 172 Q C 1.407 177.433 176.000 0.042 0.000 0.878 172 Q CA 1.150 56.962 55.803 0.014 0.000 0.944 172 Q CB 0.505 29.216 28.738 -0.044 0.000 1.100 172 Q HN 0.836 nan 8.270 nan 0.000 0.509 173 R N -1.835 118.710 120.500 0.075 0.000 2.716 173 R HA 0.775 5.116 4.340 0.002 0.000 0.271 173 R C -0.720 175.797 176.300 0.361 0.000 1.028 173 R CA -0.468 55.686 56.100 0.090 0.000 0.883 173 R CB 0.877 30.718 30.300 -0.765 0.000 1.250 173 R HN -0.033 nan 8.270 nan 0.000 0.465 174 G N -0.526 108.586 108.800 0.520 0.000 2.355 174 G HA2 0.306 4.267 3.960 0.002 0.000 0.296 174 G HA3 0.306 4.267 3.960 0.002 0.000 0.296 174 G C -1.080 173.915 174.900 0.158 0.000 1.507 174 G CA -0.746 44.333 45.100 -0.035 0.000 0.823 174 G HN 0.448 nan 8.290 nan 0.000 0.569 175 W N 0.173 121.215 121.300 -0.430 0.000 2.402 175 W HA 0.281 4.942 4.660 0.002 0.000 0.286 175 W C 2.130 178.570 176.519 -0.133 0.000 1.221 175 W CA 2.093 59.371 57.345 -0.113 0.000 1.257 175 W CB -0.149 29.357 29.460 0.077 0.000 1.120 175 W HN 1.791 nan 8.180 nan 0.000 0.551 176 G N -3.065 105.496 108.800 -0.399 0.000 2.296 176 G HA2 -0.281 3.680 3.960 0.002 0.000 0.188 176 G HA3 -0.281 3.680 3.960 0.002 0.000 0.188 176 G C 0.644 175.203 174.900 -0.569 0.000 1.000 176 G CA 0.011 44.751 45.100 -0.600 0.000 0.672 176 G HN 0.261 nan 8.290 nan 0.000 0.483 177 Y N 1.650 121.924 120.300 -0.044 0.000 2.578 177 Y HA 0.218 4.768 4.550 0.001 0.000 0.297 177 Y C 1.657 177.681 175.900 0.206 0.000 1.176 177 Y CA 0.959 59.129 58.100 0.117 0.000 1.315 177 Y CB 0.328 38.958 38.460 0.282 0.000 1.031 177 Y HN 0.151 nan 8.280 nan 0.000 0.524 178 D N -0.392 120.051 120.400 0.072 0.000 2.368 178 D HA 0.105 4.746 4.640 0.002 0.000 0.218 178 D C 1.077 177.465 176.300 0.147 0.000 1.112 178 D CA 0.096 54.155 54.000 0.099 0.000 0.834 178 D CB -0.098 40.721 40.800 0.031 0.000 0.953 178 D HN 0.217 nan 8.370 nan 0.000 0.505 179 G N 0.532 109.414 108.800 0.137 0.000 2.257 179 G HA2 0.191 4.152 3.960 0.002 0.000 0.235 179 G HA3 0.191 4.152 3.960 0.002 0.000 0.235 179 G C 0.805 175.993 174.900 0.481 0.000 1.225 179 G CA 0.351 45.641 45.100 0.317 0.000 0.878 179 G HN 0.209 nan 8.290 nan 0.000 0.505 180 A N 1.944 125.067 122.820 0.505 0.000 2.140 180 A HA 0.706 5.027 4.320 0.002 0.000 0.199 180 A C 1.345 179.235 177.584 0.510 0.000 1.416 180 A CA 1.038 53.383 52.037 0.513 0.000 1.018 180 A CB 0.472 19.633 19.000 0.268 0.000 1.117 180 A HN 1.733 nan 8.150 nan 0.000 0.480 181 A N -0.067 123.058 122.820 0.507 0.000 2.508 181 A HA 0.624 4.945 4.320 0.002 0.000 0.336 181 A C 0.084 178.067 177.584 0.664 0.000 1.360 181 A CA -0.532 51.789 52.037 0.472 0.000 0.841 181 A CB -0.313 18.873 19.000 0.311 0.000 1.136 181 A HN 0.179 nan 8.150 nan 0.000 0.489 182 F N 0.376 120.638 119.950 0.521 0.000 2.365 182 F HA -0.051 4.477 4.527 0.001 0.000 0.300 182 F C 1.134 177.046 175.800 0.187 0.000 1.090 182 F CA 1.152 59.364 58.000 0.354 0.000 1.408 182 F CB -0.673 38.521 39.000 0.325 0.000 1.060 182 F HN 0.772 nan 8.300 nan 0.000 0.534 183 Y N -0.671 119.794 120.300 0.275 0.000 2.466 183 Y HA 0.432 4.983 4.550 0.001 0.000 0.272 183 Y C 1.049 177.005 175.900 0.094 0.000 1.169 183 Y CA -0.028 58.083 58.100 0.018 0.000 1.285 183 Y CB -0.011 38.467 38.460 0.029 0.000 1.078 183 Y HN -0.117 nan 8.280 nan 0.000 0.523 184 A N 1.425 124.483 122.820 0.397 0.000 2.267 184 A HA 0.503 4.824 4.320 0.002 0.000 0.315 184 A C -2.746 175.121 177.584 0.472 0.000 1.297 184 A CA -1.891 50.390 52.037 0.408 0.000 0.865 184 A CB 0.159 19.342 19.000 0.306 0.000 1.165 184 A HN -0.109 nan 8.150 nan 0.000 0.513 185 P HA 0.012 nan 4.420 nan 0.000 0.268 185 P C -0.549 177.076 177.300 0.542 0.000 1.204 185 P CA 0.134 63.603 63.100 0.614 0.000 0.768 185 P CB 0.150 32.196 31.700 0.577 0.000 0.842 186 Y N 3.413 123.844 120.300 0.219 0.000 2.745 186 Y HA 0.071 4.622 4.550 0.002 0.000 0.335 186 Y C 1.574 177.422 175.900 -0.088 0.000 1.212 186 Y CA -0.084 57.935 58.100 -0.135 0.000 1.535 186 Y CB -0.069 38.097 38.460 -0.490 0.000 1.220 186 Y HN 0.560 nan 8.280 nan 0.000 0.531 187 A N 7.388 129.936 122.820 -0.453 0.000 1.940 187 A HA -0.116 4.205 4.320 0.002 0.000 0.219 187 A C -0.321 177.056 177.584 -0.344 0.000 1.176 187 A CA 1.456 53.348 52.037 -0.242 0.000 0.631 187 A CB -1.646 17.095 19.000 -0.432 0.000 0.814 187 A HN 0.725 nan 8.150 nan 0.000 0.446 188 P HA -0.141 nan 4.420 nan 0.000 0.221 188 P C 0.866 178.060 177.300 -0.177 0.000 1.145 188 P CA 0.986 63.785 63.100 -0.500 0.000 0.795 188 P CB -0.187 31.106 31.700 -0.678 0.000 0.775 189 Y N -1.205 118.910 120.300 -0.309 0.000 2.457 189 Y HA 0.182 4.733 4.550 0.002 0.000 0.292 189 Y C 1.472 177.030 175.900 -0.569 0.000 1.125 189 Y CA -0.129 57.691 58.100 -0.465 0.000 1.254 189 Y CB 0.205 38.229 38.460 -0.727 0.000 1.012 189 Y HN -0.012 nan 8.280 nan 0.000 0.555 190 G N 0.043 108.837 108.800 -0.009 0.000 2.361 190 G HA2 0.097 4.058 3.960 0.002 0.000 0.305 190 G HA3 0.097 4.058 3.960 0.002 0.000 0.305 190 G C -1.442 173.650 174.900 0.318 0.000 1.367 190 G CA -1.193 44.014 45.100 0.178 0.000 0.951 190 G HN -0.042 nan 8.290 nan 0.000 0.615 191 R N 0.625 121.211 120.500 0.143 0.000 2.583 191 R HA 0.376 4.717 4.340 0.002 0.000 0.268 191 R C -1.467 174.737 176.300 -0.160 0.000 1.101 191 R CA -1.190 54.764 56.100 -0.244 0.000 1.180 191 R CB 0.645 30.813 30.300 -0.220 0.000 1.128 191 R HN 0.245 nan 8.270 nan 0.000 0.568 192 P HA -0.244 nan 4.420 nan 0.000 0.216 192 P C 0.875 178.182 177.300 0.012 0.000 1.153 192 P CA 1.408 64.522 63.100 0.023 0.000 0.858 192 P CB 0.086 31.795 31.700 0.014 0.000 0.789 193 E N -0.401 119.745 120.200 -0.090 0.000 2.204 193 E HA -0.206 4.145 4.350 0.002 0.000 0.195 193 E C 1.103 177.651 176.600 -0.086 0.000 0.990 193 E CA 1.289 57.620 56.400 -0.116 0.000 0.821 193 E CB -1.114 28.605 29.700 0.033 0.000 0.750 193 E HN 0.290 nan 8.360 nan 0.000 0.477 194 D N 1.028 121.438 120.400 0.017 0.000 2.144 194 D HA -0.037 4.604 4.640 0.002 0.000 0.200 194 D C 1.303 177.603 176.300 -0.000 0.000 0.978 194 D CA 0.266 54.331 54.000 0.108 0.000 0.833 194 D CB -0.240 40.723 40.800 0.272 0.000 0.961 194 D HN 0.165 nan 8.370 nan 0.000 0.470 198 L N 1.147 122.308 121.223 -0.104 0.000 2.027 198 L HA 0.034 4.375 4.340 0.002 0.000 0.206 198 L C 2.149 178.915 176.870 -0.174 0.000 1.074 198 L CA 2.763 57.547 54.840 -0.093 0.000 0.745 198 L CB -0.606 41.401 42.059 -0.087 0.000 0.898 198 L HN 0.225 nan 8.230 nan 0.000 0.433 199 V N 0.039 119.795 119.914 -0.264 0.000 2.343 199 V HA -0.301 3.820 4.120 0.002 0.000 0.247 199 V C 2.345 178.214 176.094 -0.376 0.000 1.051 199 V CA 2.013 64.060 62.300 -0.422 0.000 1.036 199 V CB -0.848 30.699 31.823 -0.461 0.000 0.654 199 V HN 0.545 nan 8.190 nan 0.000 0.451 200 D N 0.119 120.513 120.400 -0.009 0.000 2.117 200 D HA -0.154 4.487 4.640 0.002 0.000 0.197 200 D C 2.121 178.439 176.300 0.029 0.000 0.987 200 D CA 1.485 55.589 54.000 0.173 0.000 0.829 200 D CB -0.150 40.819 40.800 0.282 0.000 0.961 200 D HN 0.383 nan 8.370 nan 0.000 0.460 201 A N 0.371 123.176 122.820 -0.024 0.000 1.902 201 A HA 0.021 4.341 4.320 0.002 0.000 0.217 201 A C 2.344 179.887 177.584 -0.069 0.000 1.181 201 A CA 2.101 54.122 52.037 -0.026 0.000 0.623 201 A CB -1.044 17.946 19.000 -0.018 0.000 0.818 201 A HN 0.315 nan 8.150 nan 0.000 0.443 202 A N -0.670 122.060 122.820 -0.149 0.000 1.877 202 A HA -0.198 4.123 4.320 0.002 0.000 0.216 202 A C 1.937 179.382 177.584 -0.231 0.000 1.186 202 A CA 1.689 53.616 52.037 -0.184 0.000 0.620 202 A CB -1.071 17.781 19.000 -0.246 0.000 0.822 202 A HN 0.764 nan 8.150 nan 0.000 0.443 203 H N -1.167 117.658 119.070 -0.409 0.000 2.387 203 H HA -0.061 4.496 4.556 0.001 0.000 0.299 203 H C 2.309 177.467 175.328 -0.284 0.000 1.090 203 H CA 0.805 56.446 56.048 -0.679 0.000 1.332 203 H CB 0.083 29.486 29.762 -0.597 0.000 1.386 203 H HN 0.256 nan 8.280 nan 0.000 0.516 204 R N 0.763 121.274 120.500 0.017 0.000 2.120 204 R HA -0.081 4.260 4.340 0.002 0.000 0.234 204 R C 1.945 178.262 176.300 0.027 0.000 1.123 204 R CA 0.722 56.849 56.100 0.046 0.000 0.975 204 R CB -0.384 29.944 30.300 0.047 0.000 0.866 204 R HN 0.385 nan 8.270 nan 0.000 0.446 205 L N -0.358 120.858 121.223 -0.012 0.000 2.591 205 L HA 0.161 4.502 4.340 0.002 0.000 0.228 205 L C 0.902 177.779 176.870 0.012 0.000 1.133 205 L CA 0.431 55.271 54.840 0.000 0.000 0.880 205 L CB 0.056 42.108 42.059 -0.012 0.000 1.033 205 L HN 0.347 nan 8.230 nan 0.000 0.450 206 G N 0.765 109.558 108.800 -0.012 0.000 2.149 206 G HA2 -0.258 3.703 3.960 0.002 0.000 0.235 206 G HA3 -0.258 3.703 3.960 0.002 0.000 0.235 206 G C -0.082 174.838 174.900 0.032 0.000 1.018 206 G CA -0.217 44.953 45.100 0.117 0.000 0.728 206 G HN 0.222 nan 8.290 nan 0.000 0.508 207 L N 0.519 121.624 121.223 -0.197 0.000 2.317 207 L HA 0.706 5.047 4.340 0.002 0.000 0.281 207 L C 1.259 178.003 176.870 -0.210 0.000 1.024 207 L CA -0.568 54.217 54.840 -0.092 0.000 0.810 207 L CB 1.642 43.675 42.059 -0.044 0.000 1.240 207 L HN 0.199 nan 8.230 nan 0.000 0.427 208 G N 1.894 110.798 108.800 0.173 0.000 2.539 208 G HA2 0.507 4.468 3.960 0.002 0.000 0.258 208 G HA3 0.507 4.468 3.960 0.002 0.000 0.258 208 G C -0.723 174.413 174.900 0.392 0.000 1.202 208 G CA -0.263 45.092 45.100 0.426 0.000 0.851 208 G HN 0.340 nan 8.290 nan 0.000 0.556 209 V N 0.745 120.900 119.914 0.401 0.000 2.623 209 V HA 0.508 4.629 4.120 0.002 0.000 0.304 209 V C -0.952 175.445 176.094 0.505 0.000 1.054 209 V CA -0.620 61.907 62.300 0.377 0.000 0.882 209 V CB 1.250 33.063 31.823 -0.015 0.000 1.002 209 V HN 0.628 nan 8.190 nan 0.000 0.424 210 F N 3.987 124.180 119.950 0.404 0.000 2.538 210 F HA 0.787 5.315 4.527 0.001 0.000 0.325 210 F C -0.364 175.474 175.800 0.063 0.000 1.066 210 F CA -0.968 57.209 58.000 0.296 0.000 0.946 210 F CB 2.215 41.357 39.000 0.237 0.000 1.199 210 F HN 0.369 nan 8.300 nan 0.000 0.473 211 L N 2.396 123.518 121.223 -0.168 0.000 2.362 211 L HA 0.467 4.807 4.340 0.002 0.000 0.275 211 L C -0.909 175.671 176.870 -0.485 0.000 0.998 211 L CA -0.433 54.039 54.840 -0.613 0.000 0.820 211 L CB 1.363 42.477 42.059 -1.574 0.000 1.270 211 L HN 0.428 nan 8.230 nan 0.000 0.415 212 D N 3.425 123.562 120.400 -0.439 0.000 2.343 212 D HA 0.389 5.029 4.640 0.002 0.000 0.255 212 D C -0.780 175.173 176.300 -0.579 0.000 1.187 212 D CA 0.168 53.914 54.000 -0.424 0.000 0.875 212 D CB 1.117 41.721 40.800 -0.325 0.000 1.136 212 D HN 0.415 nan 8.370 nan 0.000 0.469 213 V N 1.271 120.813 119.914 -0.620 0.000 2.823 213 V HA 0.654 4.775 4.120 0.002 0.000 0.312 213 V C -0.360 175.243 176.094 -0.817 0.000 1.072 213 V CA -0.903 60.905 62.300 -0.821 0.000 0.937 213 V CB 2.007 33.202 31.823 -1.047 0.000 1.013 213 V HN 0.197 nan 8.190 nan 0.000 0.430 214 V N 5.000 124.395 119.914 -0.864 0.000 2.266 214 V HA 0.347 4.468 4.120 0.002 0.000 0.271 214 V C -0.584 175.311 176.094 -0.331 0.000 1.032 214 V CA -0.136 61.852 62.300 -0.519 0.000 0.806 214 V CB 0.271 31.841 31.823 -0.422 0.000 1.052 214 V HN 0.926 nan 8.190 nan 0.000 0.449 215 Y N 2.555 122.826 120.300 -0.048 0.000 2.571 215 Y HA 0.142 4.692 4.550 0.001 0.000 0.275 215 Y C 1.617 177.719 175.900 0.337 0.000 1.179 215 Y CA -0.943 57.276 58.100 0.198 0.000 1.242 215 Y CB -0.663 37.915 38.460 0.196 0.000 1.126 215 Y HN 0.807 nan 8.280 nan 0.000 0.524 216 N N -0.617 118.322 118.700 0.398 0.000 2.250 216 N HA 0.002 4.743 4.740 0.002 0.000 0.190 216 N C 0.197 176.015 175.510 0.514 0.000 1.116 216 N CA 0.167 53.497 53.050 0.466 0.000 0.881 216 N CB 0.314 39.061 38.487 0.433 0.000 1.006 216 N HN 0.216 nan 8.380 nan 0.000 0.491 217 H N -2.192 117.083 119.070 0.342 0.000 3.037 217 H HA 0.324 4.881 4.556 0.002 0.000 0.336 217 H C -1.846 173.686 175.328 0.341 0.000 1.323 217 H CA -1.031 55.242 56.048 0.375 0.000 1.159 217 H CB 0.286 30.263 29.762 0.358 0.000 1.882 217 H HN -0.125 nan 8.280 nan 0.000 0.535 218 F N 0.581 120.789 119.950 0.430 0.000 2.470 218 F HA 0.527 5.055 4.527 0.001 0.000 0.329 218 F C 1.472 177.488 175.800 0.360 0.000 1.072 218 F CA 0.157 58.348 58.000 0.319 0.000 0.989 218 F CB 1.715 40.772 39.000 0.094 0.000 1.193 218 F HN 0.784 nan 8.300 nan 0.000 0.481 219 G N 1.441 110.454 108.800 0.355 0.000 2.667 219 G HA2 0.238 4.199 3.960 0.002 0.000 0.250 219 G HA3 0.238 4.199 3.960 0.002 0.000 0.250 219 G C -1.864 172.907 174.900 -0.214 0.000 1.212 219 G CA -0.931 44.135 45.100 -0.057 0.000 0.874 219 G HN 0.478 nan 8.290 nan 0.000 0.561 220 P HA 0.055 nan 4.420 nan 0.000 0.231 220 P C 0.486 177.615 177.300 -0.286 0.000 1.168 220 P CA 0.599 63.414 63.100 -0.474 0.000 0.779 220 P CB 0.712 31.887 31.700 -0.874 0.000 0.844 221 S N -0.951 114.630 115.700 -0.199 0.000 2.594 221 S HA 0.575 5.046 4.470 0.002 0.000 0.296 221 S C 0.655 175.236 174.600 -0.031 0.000 1.124 221 S CA 0.151 58.322 58.200 -0.049 0.000 1.011 221 S CB 0.490 63.740 63.200 0.083 0.000 1.016 221 S HN 0.288 nan 8.310 nan 0.000 0.485 222 G N 3.762 112.500 108.800 -0.103 0.000 2.179 222 G HA2 -0.201 3.760 3.960 0.002 0.000 0.220 222 G HA3 -0.201 3.760 3.960 0.002 0.000 0.220 222 G C -0.200 174.650 174.900 -0.084 0.000 0.990 222 G CA -0.008 45.021 45.100 -0.118 0.000 0.646 222 G HN 0.857 nan 8.290 nan 0.000 0.517 223 N N -0.063 118.488 118.700 -0.249 0.000 2.462 223 N HA 0.536 5.277 4.740 0.002 0.000 0.242 223 N C 0.266 175.553 175.510 -0.371 0.000 1.010 223 N CA -0.785 52.115 53.050 -0.249 0.000 0.939 223 N CB 0.270 38.575 38.487 -0.303 0.000 1.127 223 N HN 0.204 nan 8.380 nan 0.000 0.509 224 Y N 2.666 122.921 120.300 -0.075 0.000 2.524 224 Y HA 0.291 4.842 4.550 0.002 0.000 0.266 224 Y C 1.501 177.463 175.900 0.104 0.000 1.180 224 Y CA -0.196 57.930 58.100 0.044 0.000 1.244 224 Y CB 0.316 38.877 38.460 0.169 0.000 1.125 224 Y HN 0.501 nan 8.280 nan 0.000 0.524 225 L N -1.171 120.041 121.223 -0.018 0.000 2.127 225 L HA -0.246 4.094 4.340 0.002 0.000 0.211 225 L C 2.227 179.243 176.870 0.243 0.000 1.089 225 L CA 1.289 56.071 54.840 -0.096 0.000 0.757 225 L CB -0.335 41.301 42.059 -0.705 0.000 0.899 225 L HN 0.150 nan 8.230 nan 0.000 0.434 226 S N -1.006 114.852 115.700 0.262 0.000 2.447 226 S HA -0.135 4.336 4.470 0.002 0.000 0.233 226 S C 2.131 176.816 174.600 0.142 0.000 1.006 226 S CA 1.174 59.523 58.200 0.249 0.000 0.957 226 S CB -0.051 63.228 63.200 0.130 0.000 0.773 226 S HN 0.385 nan 8.310 nan 0.000 0.507 227 S N 0.235 116.017 115.700 0.138 0.000 2.423 227 S HA -0.026 4.445 4.470 0.002 0.000 0.231 227 S C 1.335 175.845 174.600 -0.149 0.000 1.014 227 S CA 0.972 59.167 58.200 -0.008 0.000 0.965 227 S CB -0.239 62.950 63.200 -0.018 0.000 0.785 227 S HN 0.627 nan 8.310 nan 0.000 0.495 228 Y N 0.928 121.235 120.300 0.012 0.000 2.262 228 Y HA 0.441 4.991 4.550 0.001 0.000 0.295 228 Y C 0.991 176.752 175.900 -0.231 0.000 1.121 228 Y CA 0.458 58.513 58.100 -0.076 0.000 1.144 228 Y CB 0.214 38.699 38.460 0.041 0.000 1.043 228 Y HN 0.206 nan 8.280 nan 0.000 0.528 229 A N -0.620 122.234 122.820 0.056 0.000 2.497 229 A HA 0.427 4.748 4.320 0.002 0.000 0.280 229 A C -2.435 175.170 177.584 0.035 0.000 1.065 229 A CA -1.197 50.708 52.037 -0.219 0.000 0.781 229 A CB 0.760 19.204 19.000 -0.927 0.000 1.289 229 A HN -0.064 nan 8.150 nan 0.000 0.415 230 P HA -0.165 nan 4.420 nan 0.000 0.219 230 P C 1.501 178.885 177.300 0.140 0.000 1.146 230 P CA 2.018 65.193 63.100 0.124 0.000 0.808 230 P CB 0.188 31.923 31.700 0.060 0.000 0.779 231 S N -2.968 112.768 115.700 0.060 0.000 2.603 231 S HA -0.123 4.348 4.470 0.002 0.000 0.229 231 S C 1.553 176.167 174.600 0.024 0.000 0.972 231 S CA 0.314 58.555 58.200 0.070 0.000 0.935 231 S CB -1.493 61.773 63.200 0.111 0.000 0.769 231 S HN 0.102 nan 8.310 nan 0.000 0.536 232 Y N 1.173 121.422 120.300 -0.085 0.000 2.333 232 Y HA 0.155 4.706 4.550 0.001 0.000 0.290 232 Y C 0.568 176.015 175.900 -0.756 0.000 1.144 232 Y CA 0.568 58.394 58.100 -0.458 0.000 1.228 232 Y CB -0.198 37.738 38.460 -0.874 0.000 0.985 232 Y HN 0.285 nan 8.280 nan 0.000 0.542 233 F N -2.051 117.968 119.950 0.115 0.000 2.575 233 F HA 0.527 5.055 4.527 0.001 0.000 0.330 233 F C 0.328 176.081 175.800 -0.078 0.000 1.056 233 F CA -1.369 56.627 58.000 -0.007 0.000 0.964 233 F CB 1.515 40.503 39.000 -0.020 0.000 1.258 233 F HN -0.525 nan 8.300 nan 0.000 0.484 234 T N -0.618 113.936 114.554 -0.000 0.000 2.906 234 T HA 0.315 4.666 4.350 0.002 0.000 0.295 234 T C -0.088 174.488 174.700 -0.206 0.000 1.061 234 T CA -0.635 61.374 62.100 -0.150 0.000 1.000 234 T CB 1.085 69.779 68.868 -0.290 0.000 1.103 234 T HN 0.675 nan 8.240 nan 0.000 0.486 235 D N 2.119 122.443 120.400 -0.126 0.000 2.340 235 D HA 0.033 4.674 4.640 0.002 0.000 0.220 235 D C 1.631 177.872 176.300 -0.099 0.000 1.039 235 D CA 0.046 53.988 54.000 -0.096 0.000 0.866 235 D CB -0.071 40.705 40.800 -0.040 0.000 0.913 235 D HN 0.516 nan 8.370 nan 0.000 0.523 236 R N -0.116 120.288 120.500 -0.161 0.000 2.115 236 R HA 0.011 4.351 4.340 0.002 0.000 0.230 236 R C -0.320 176.037 176.300 0.094 0.000 1.111 236 R CA 0.796 56.876 56.100 -0.034 0.000 0.976 236 R CB -0.042 30.268 30.300 0.015 0.000 0.870 236 R HN 0.319 nan 8.270 nan 0.000 0.445 237 F N -3.129 116.863 119.950 0.071 0.000 2.662 237 F HA 0.618 5.146 4.527 0.001 0.000 0.312 237 F C -1.091 174.751 175.800 0.071 0.000 1.113 237 F CA -1.295 56.747 58.000 0.069 0.000 0.951 237 F CB 1.246 40.300 39.000 0.090 0.000 1.344 237 F HN -0.358 nan 8.300 nan 0.000 0.462 238 S N 0.226 116.089 115.700 0.272 0.000 2.648 238 S HA 0.782 5.253 4.470 0.002 0.000 0.305 238 S C -0.719 174.015 174.600 0.224 0.000 1.094 238 S CA -0.721 57.574 58.200 0.158 0.000 0.983 238 S CB 1.857 65.089 63.200 0.054 0.000 1.101 238 S HN 0.728 nan 8.310 nan 0.000 0.514 239 S N 0.505 116.298 115.700 0.156 0.000 2.748 239 S HA 0.605 5.076 4.470 0.002 0.000 0.299 239 S C 1.471 176.014 174.600 -0.095 0.000 1.119 239 S CA -0.200 58.056 58.200 0.094 0.000 0.997 239 S CB 0.777 64.123 63.200 0.243 0.000 1.223 239 S HN 0.814 nan 8.310 nan 0.000 0.541 240 A N -0.638 122.003 122.820 -0.300 0.000 2.015 240 A HA -0.015 4.306 4.320 0.002 0.000 0.219 240 A C 1.261 178.469 177.584 -0.627 0.000 1.163 240 A CA 1.142 52.807 52.037 -0.621 0.000 0.646 240 A CB -0.522 17.877 19.000 -1.002 0.000 0.806 240 A HN 0.862 nan 8.150 nan 0.000 0.448 241 W N -2.139 119.114 121.300 -0.078 0.000 2.873 241 W HA 0.436 5.097 4.660 0.002 0.000 0.282 241 W C 0.940 177.426 176.519 -0.054 0.000 1.118 241 W CA 0.297 57.615 57.345 -0.044 0.000 1.480 241 W CB 0.687 30.170 29.460 0.039 0.000 0.954 241 W HN 0.482 nan 8.180 nan 0.000 0.591 245 L N 1.604 123.083 121.223 0.427 0.000 2.360 245 L HA 0.339 4.680 4.340 0.002 0.000 0.276 245 L C 0.114 176.932 176.870 -0.087 0.000 1.121 245 L CA -0.317 54.630 54.840 0.178 0.000 0.845 245 L CB 1.228 43.315 42.059 0.047 0.000 1.143 245 L HN 0.510 nan 8.230 nan 0.000 0.452 246 D N 2.329 122.626 120.400 -0.173 0.000 2.468 246 D HA 0.050 4.691 4.640 0.002 0.000 0.218 246 D C 0.431 176.677 176.300 -0.091 0.000 1.155 246 D CA -0.209 53.745 54.000 -0.078 0.000 0.924 246 D CB 0.343 41.114 40.800 -0.049 0.000 1.029 246 D HN 0.327 nan 8.370 nan 0.000 0.515 247 Y N 1.741 122.155 120.300 0.191 0.000 2.632 247 Y HA 0.066 4.617 4.550 0.002 0.000 0.301 247 Y C 2.213 178.145 175.900 0.054 0.000 1.172 247 Y CA 0.431 58.594 58.100 0.105 0.000 1.328 247 Y CB -0.301 38.192 38.460 0.054 0.000 1.016 247 Y HN 0.531 nan 8.280 nan 0.000 0.529 248 A N -0.363 122.558 122.820 0.169 0.000 2.119 248 A HA -0.060 4.261 4.320 0.002 0.000 0.216 248 A C 0.900 178.517 177.584 0.054 0.000 1.152 248 A CA 0.460 52.557 52.037 0.100 0.000 0.708 248 A CB -0.297 18.756 19.000 0.088 0.000 0.805 248 A HN 0.187 nan 8.150 nan 0.000 0.460 249 E N 0.475 120.702 120.200 0.046 0.000 2.089 249 E HA 0.338 4.689 4.350 0.002 0.000 0.284 249 E C -1.993 174.583 176.600 -0.040 0.000 1.023 249 E CA -2.813 53.578 56.400 -0.014 0.000 0.819 249 E CB 0.933 30.621 29.700 -0.020 0.000 1.076 249 E HN 0.061 nan 8.360 nan 0.000 0.396 250 P HA -0.168 nan 4.420 nan 0.000 0.217 250 P C 0.042 177.220 177.300 -0.203 0.000 1.148 250 P CA 1.237 64.225 63.100 -0.186 0.000 0.828 250 P CB 0.017 31.532 31.700 -0.309 0.000 0.783 254 R N 0.463 121.133 120.500 0.285 0.000 2.189 254 R HA -0.023 4.318 4.340 0.002 0.000 0.218 254 R C 1.729 178.344 176.300 0.526 0.000 1.074 254 R CA 1.379 57.690 56.100 0.350 0.000 0.991 254 R CB -0.125 30.288 30.300 0.189 0.000 0.883 254 R HN 0.180 nan 8.270 nan 0.000 0.457 255 Y N 1.323 121.899 120.300 0.461 0.000 2.128 255 Y HA -0.284 4.267 4.550 0.002 0.000 0.284 255 Y C 2.183 178.279 175.900 0.326 0.000 1.154 255 Y CA 1.891 60.294 58.100 0.505 0.000 1.149 255 Y CB -0.070 38.615 38.460 0.376 0.000 0.976 255 Y HN -0.082 nan 8.280 nan 0.000 0.505 256 V N -2.442 117.650 119.914 0.298 0.000 2.535 256 V HA -0.112 4.009 4.120 0.002 0.000 0.246 256 V C 2.156 178.100 176.094 -0.249 0.000 1.045 256 V CA 1.915 64.083 62.300 -0.220 0.000 1.058 256 V CB -1.461 30.027 31.823 -0.558 0.000 0.689 256 V HN 0.553 nan 8.190 nan 0.000 0.461 257 T N -1.174 113.389 114.554 0.015 0.000 2.821 257 T HA 0.018 4.369 4.350 0.002 0.000 0.267 257 T C 2.085 176.779 174.700 -0.010 0.000 1.046 257 T CA 1.542 63.684 62.100 0.070 0.000 1.139 257 T CB -1.107 67.895 68.868 0.224 0.000 0.871 257 T HN 0.663 nan 8.240 nan 0.000 0.454 258 G N 1.507 110.299 108.800 -0.014 0.000 2.422 258 G HA2 -0.275 3.686 3.960 0.002 0.000 0.218 258 G HA3 -0.275 3.686 3.960 0.002 0.000 0.218 258 G C 1.655 176.476 174.900 -0.131 0.000 1.146 258 G CA 0.836 45.755 45.100 -0.301 0.000 0.769 258 G HN 0.628 nan 8.290 nan 0.000 0.547 259 N N 1.023 119.548 118.700 -0.292 0.000 2.106 259 N HA -0.080 4.661 4.740 0.002 0.000 0.188 259 N C 2.601 177.981 175.510 -0.217 0.000 1.029 259 N CA 1.234 53.871 53.050 -0.689 0.000 0.848 259 N CB -0.180 37.884 38.487 -0.706 0.000 1.007 259 N HN 0.223 nan 8.380 nan 0.000 0.423 260 A N 1.907 124.741 122.820 0.023 0.000 1.908 260 A HA -0.124 4.197 4.320 0.002 0.000 0.218 260 A C 1.507 179.108 177.584 0.027 0.000 1.181 260 A CA 0.779 52.910 52.037 0.157 0.000 0.627 260 A CB -0.490 18.599 19.000 0.149 0.000 0.818 260 A HN 0.368 nan 8.150 nan 0.000 0.445 264 L N 0.927 122.287 121.223 0.229 0.000 2.044 264 L HA -0.022 4.319 4.340 0.002 0.000 0.205 264 L C 2.574 179.435 176.870 -0.014 0.000 1.075 264 L CA 1.690 56.529 54.840 -0.002 0.000 0.747 264 L CB -0.667 41.110 42.059 -0.470 0.000 0.903 264 L HN 0.005 nan 8.230 nan 0.000 0.435 265 R N 0.014 120.477 120.500 -0.062 0.000 2.062 265 R HA -0.116 4.224 4.340 0.002 0.000 0.226 265 R C 1.671 177.964 176.300 -0.012 0.000 1.125 265 R CA 1.612 57.674 56.100 -0.063 0.000 0.966 265 R CB 0.022 30.278 30.300 -0.074 0.000 0.861 265 R HN 0.309 nan 8.270 nan 0.000 0.433 266 D N -0.873 119.468 120.400 -0.098 0.000 2.240 266 D HA -0.072 4.569 4.640 0.002 0.000 0.206 266 D C 0.955 177.103 176.300 -0.254 0.000 0.963 266 D CA 1.011 54.808 54.000 -0.338 0.000 0.863 266 D CB 0.149 40.292 40.800 -1.096 0.000 0.973 266 D HN 0.309 nan 8.370 nan 0.000 0.501 267 Y N -0.440 119.942 120.300 0.136 0.000 2.467 267 Y HA 0.172 4.723 4.550 0.002 0.000 0.250 267 Y C 0.297 176.284 175.900 0.145 0.000 1.155 267 Y CA -0.002 58.259 58.100 0.269 0.000 1.249 267 Y CB -0.040 38.711 38.460 0.485 0.000 1.146 267 Y HN 0.092 nan 8.280 nan 0.000 0.524 268 H N -2.555 116.499 119.070 -0.027 0.000 2.992 268 H HA -0.202 4.355 4.556 0.001 0.000 0.266 268 H C -0.215 175.146 175.328 0.055 0.000 1.200 268 H CA -0.048 55.912 56.048 -0.147 0.000 1.135 268 H CB -1.878 27.503 29.762 -0.636 0.000 1.282 268 H HN 0.186 nan 8.280 nan 0.000 0.351 269 F N 1.315 121.399 119.950 0.224 0.000 2.545 269 F HA -0.061 4.467 4.527 0.002 0.000 0.348 269 F C 1.888 177.764 175.800 0.126 0.000 1.163 269 F CA 0.678 58.750 58.000 0.120 0.000 1.331 269 F CB 0.450 39.468 39.000 0.030 0.000 1.138 269 F HN 0.099 nan 8.300 nan 0.000 0.602 270 D N 0.929 121.424 120.400 0.159 0.000 2.354 270 D HA 0.195 4.836 4.640 0.002 0.000 0.209 270 D C 0.824 176.912 176.300 -0.353 0.000 1.015 270 D CA 0.681 54.669 54.000 -0.020 0.000 0.867 270 D CB 0.527 41.336 40.800 0.015 0.000 0.933 270 D HN 0.622 nan 8.370 nan 0.000 0.520 271 G N -0.021 108.435 108.800 -0.574 0.000 2.451 271 G HA2 0.491 4.452 3.960 0.002 0.000 0.292 271 G HA3 0.491 4.452 3.960 0.002 0.000 0.292 271 G C -1.956 172.848 174.900 -0.160 0.000 1.427 271 G CA -0.800 44.068 45.100 -0.388 0.000 0.792 271 G HN 0.012 nan 8.290 nan 0.000 0.498 272 L N 0.203 121.437 121.223 0.019 0.000 2.370 272 L HA 0.702 5.043 4.340 0.002 0.000 0.266 272 L C 0.032 176.890 176.870 -0.019 0.000 1.002 272 L CA -1.084 53.713 54.840 -0.072 0.000 0.818 272 L CB 2.474 44.448 42.059 -0.142 0.000 1.325 272 L HN 0.523 nan 8.230 nan 0.000 0.418 273 R N 3.373 123.781 120.500 -0.153 0.000 2.246 273 R HA 0.479 4.820 4.340 0.002 0.000 0.332 273 R C -1.427 174.658 176.300 -0.359 0.000 0.974 273 R CA -0.590 55.351 56.100 -0.264 0.000 0.837 273 R CB 0.763 30.840 30.300 -0.371 0.000 1.145 273 R HN 0.651 nan 8.270 nan 0.000 0.467 274 L N 4.149 125.189 121.223 -0.305 0.000 2.325 274 L HA 0.161 4.502 4.340 0.002 0.000 0.284 274 L C 0.438 177.138 176.870 -0.284 0.000 1.089 274 L CA -0.471 54.192 54.840 -0.295 0.000 0.836 274 L CB 0.558 42.520 42.059 -0.162 0.000 1.184 274 L HN 0.526 nan 8.230 nan 0.000 0.444 275 D N 3.643 123.889 120.400 -0.255 0.000 2.455 275 D HA 0.266 4.907 4.640 0.002 0.000 0.241 275 D C 0.782 177.063 176.300 -0.031 0.000 1.138 275 D CA 0.705 54.628 54.000 -0.128 0.000 0.877 275 D CB 0.911 41.722 40.800 0.019 0.000 1.187 275 D HN 0.756 nan 8.370 nan 0.000 0.451 276 A N 2.796 125.613 122.820 -0.005 0.000 2.560 276 A HA -0.228 4.093 4.320 0.002 0.000 0.299 276 A C 1.596 179.210 177.584 0.051 0.000 1.484 276 A CA 1.505 53.612 52.037 0.117 0.000 0.749 276 A CB -2.472 16.714 19.000 0.310 0.000 1.072 276 A HN 0.827 nan 8.150 nan 0.000 0.426 277 T N -2.817 111.687 114.554 -0.083 0.000 2.849 277 T HA -0.070 4.281 4.350 0.002 0.000 0.270 277 T C -0.271 174.292 174.700 -0.229 0.000 1.066 277 T CA 1.438 63.472 62.100 -0.109 0.000 1.130 277 T CB -1.082 67.709 68.868 -0.129 0.000 0.864 277 T HN 0.507 nan 8.240 nan 0.000 0.481 278 P HA 0.056 nan 4.420 nan 0.000 0.225 278 P C -0.161 176.687 177.300 -0.754 0.000 1.148 278 P CA 0.727 63.376 63.100 -0.751 0.000 0.779 278 P CB -0.133 30.833 31.700 -1.223 0.000 0.780 282 D N 1.111 121.528 120.400 0.028 0.000 2.861 282 D HA 0.318 4.959 4.640 0.002 0.000 0.216 282 D C -0.601 175.711 176.300 0.020 0.000 1.323 282 D CA -0.486 53.501 54.000 -0.022 0.000 0.917 282 D CB 1.462 42.013 40.800 -0.415 0.000 1.582 282 D HN 0.368 nan 8.370 nan 0.000 0.576 283 D N 1.465 121.909 120.400 0.074 0.000 2.363 283 D HA 0.084 4.725 4.640 0.002 0.000 0.214 283 D C 0.093 176.433 176.300 0.066 0.000 1.093 283 D CA -0.027 54.022 54.000 0.081 0.000 0.837 283 D CB 0.523 41.376 40.800 0.088 0.000 0.948 283 D HN 0.197 nan 8.370 nan 0.000 0.507 284 S N 0.973 116.701 115.700 0.045 0.000 2.566 284 S HA -0.070 4.401 4.470 0.002 0.000 0.280 284 S C 1.565 176.194 174.600 0.049 0.000 1.343 284 S CA -0.176 58.048 58.200 0.040 0.000 1.036 284 S CB 1.902 65.116 63.200 0.023 0.000 0.866 284 S HN 0.275 nan 8.310 nan 0.000 0.526 285 E N 1.486 121.714 120.200 0.047 0.000 2.058 285 E HA -0.154 4.197 4.350 0.002 0.000 0.194 285 E C -0.028 176.608 176.600 0.060 0.000 0.997 285 E CA 1.072 57.502 56.400 0.050 0.000 0.801 285 E CB 0.078 29.803 29.700 0.043 0.000 0.746 285 E HN 0.575 nan 8.360 nan 0.000 0.450 286 T N 1.420 116.008 114.554 0.057 0.000 2.738 286 T HA 0.076 4.427 4.350 0.002 0.000 0.298 286 T C -0.504 174.235 174.700 0.065 0.000 0.962 286 T CA -0.426 61.715 62.100 0.069 0.000 0.972 286 T CB 0.856 69.766 68.868 0.071 0.000 0.928 286 T HN 0.201 nan 8.240 nan 0.000 0.474 287 H N 3.067 122.131 119.070 -0.009 0.000 2.871 287 H HA 0.053 4.610 4.556 0.001 0.000 0.355 287 H C 1.200 176.492 175.328 -0.060 0.000 1.092 287 H CA -0.292 55.738 56.048 -0.030 0.000 1.420 287 H CB 0.714 30.444 29.762 -0.054 0.000 1.400 287 H HN 0.513 nan 8.280 nan 0.000 0.604 288 I N 4.460 124.797 120.570 -0.387 0.000 2.335 288 I HA -0.272 3.899 4.170 0.002 0.000 0.251 288 I C 2.144 178.219 176.117 -0.070 0.000 1.129 288 I CA 1.198 62.332 61.300 -0.277 0.000 1.402 288 I CB -0.385 37.194 38.000 -0.702 0.000 1.069 288 I HN 0.655 nan 8.210 nan 0.000 0.424 289 L N -0.606 120.737 121.223 0.200 0.000 2.083 289 L HA -0.218 4.123 4.340 0.002 0.000 0.209 289 L C 2.353 179.239 176.870 0.026 0.000 1.083 289 L CA 1.838 56.734 54.840 0.094 0.000 0.752 289 L CB -1.116 40.976 42.059 0.055 0.000 0.899 289 L HN 0.210 nan 8.230 nan 0.000 0.433 290 T N -1.180 113.404 114.554 0.051 0.000 2.777 290 T HA -0.226 4.124 4.350 0.002 0.000 0.266 290 T C 1.773 176.456 174.700 -0.029 0.000 1.040 290 T CA 1.416 63.527 62.100 0.018 0.000 1.141 290 T CB -0.097 68.797 68.868 0.044 0.000 0.868 290 T HN 0.371 nan 8.240 nan 0.000 0.444 291 E N 0.641 120.826 120.200 -0.024 0.000 2.106 291 E HA -0.074 4.277 4.350 0.002 0.000 0.192 291 E C 2.127 178.674 176.600 -0.088 0.000 0.984 291 E CA 0.633 57.002 56.400 -0.051 0.000 0.806 291 E CB -0.209 29.506 29.700 0.024 0.000 0.750 291 E HN 0.411 nan 8.360 nan 0.000 0.458 292 L N 0.527 121.713 121.223 -0.062 0.000 2.012 292 L HA -0.236 4.105 4.340 0.002 0.000 0.210 292 L C 2.663 179.453 176.870 -0.133 0.000 1.073 292 L CA 1.478 56.283 54.840 -0.057 0.000 0.748 292 L CB -0.474 41.578 42.059 -0.012 0.000 0.891 292 L HN 0.234 nan 8.230 nan 0.000 0.431 293 A N -0.868 121.857 122.820 -0.159 0.000 1.902 293 A HA -0.266 4.055 4.320 0.002 0.000 0.217 293 A C 2.194 179.497 177.584 -0.468 0.000 1.181 293 A CA 1.696 53.542 52.037 -0.318 0.000 0.623 293 A CB -0.496 18.416 19.000 -0.146 0.000 0.818 293 A HN 0.505 nan 8.150 nan 0.000 0.443 294 Q N -0.726 118.858 119.800 -0.360 0.000 2.050 294 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 294 Q C 2.012 177.677 176.000 -0.558 0.000 0.980 294 Q CA 1.465 56.900 55.803 -0.613 0.000 0.840 294 Q CB -0.177 27.838 28.738 -1.205 0.000 0.898 294 Q HN 0.607 nan 8.270 nan 0.000 0.424 295 E N 0.384 120.384 120.200 -0.333 0.000 2.153 295 E HA -0.149 4.202 4.350 0.002 0.000 0.194 295 E C 1.960 178.560 176.600 0.001 0.000 0.988 295 E CA 0.881 57.291 56.400 0.017 0.000 0.811 295 E CB -0.015 29.769 29.700 0.141 0.000 0.746 295 E HN 0.436 nan 8.360 nan 0.000 0.466 296 I N -0.064 120.435 120.570 -0.118 0.000 2.277 296 I HA -0.211 3.960 4.170 0.002 0.000 0.243 296 I C 2.112 178.214 176.117 -0.024 0.000 1.094 296 I CA 0.903 62.138 61.300 -0.108 0.000 1.393 296 I CB -0.377 37.525 38.000 -0.163 0.000 1.078 296 I HN 0.115 nan 8.210 nan 0.000 0.417 297 H N 0.112 119.182 119.070 0.000 0.000 2.426 297 H HA -0.201 4.356 4.556 0.002 0.000 0.298 297 H C 2.098 177.455 175.328 0.049 0.000 1.107 297 H CA 1.113 57.169 56.048 0.012 0.000 1.298 297 H CB 0.064 29.796 29.762 -0.050 0.000 1.377 297 H HN 0.270 nan 8.280 nan 0.000 0.519 298 E N 1.423 121.729 120.200 0.176 0.000 2.268 298 E HA -0.129 4.222 4.350 0.002 0.000 0.195 298 E C 1.870 178.563 176.600 0.156 0.000 0.995 298 E CA 0.441 56.968 56.400 0.212 0.000 0.836 298 E CB -0.008 29.899 29.700 0.344 0.000 0.763 298 E HN 0.556 nan 8.360 nan 0.000 0.491 299 L N -0.300 121.004 121.223 0.135 0.000 2.450 299 L HA -0.054 4.287 4.340 0.002 0.000 0.224 299 L C 1.544 178.488 176.870 0.124 0.000 1.149 299 L CA 0.735 55.645 54.840 0.117 0.000 0.816 299 L CB -0.499 41.617 42.059 0.096 0.000 0.932 299 L HN 0.275 nan 8.230 nan 0.000 0.449 300 G N -0.110 108.764 108.800 0.123 0.000 2.198 300 G HA2 -0.200 3.760 3.960 0.002 0.000 0.257 300 G HA3 -0.200 3.760 3.960 0.002 0.000 0.257 300 G C 0.384 175.302 174.900 0.031 0.000 1.042 300 G CA 0.083 45.224 45.100 0.067 0.000 0.791 300 G HN 0.554 nan 8.290 nan 0.000 0.502 301 G N -1.535 107.295 108.800 0.050 0.000 3.008 301 G HA2 0.754 4.715 3.960 0.002 0.000 0.181 301 G HA3 0.754 4.715 3.960 0.002 0.000 0.181 301 G C 0.815 175.589 174.900 -0.210 0.000 1.309 301 G CA 0.827 45.826 45.100 -0.170 0.000 1.009 301 G HN 1.215 nan 8.290 nan 0.000 0.584 302 T N -2.237 112.062 114.554 -0.424 0.000 3.228 302 T HA 0.310 4.661 4.350 0.002 0.000 0.278 302 T C 0.003 174.591 174.700 -0.187 0.000 1.014 302 T CA -0.315 61.641 62.100 -0.240 0.000 0.904 302 T CB -0.695 68.039 68.868 -0.223 0.000 1.110 302 T HN 0.432 nan 8.240 nan 0.000 0.541 303 H N 1.162 120.246 119.070 0.022 0.000 2.790 303 H HA 0.499 5.056 4.556 0.002 0.000 0.358 303 H C 0.190 175.556 175.328 0.063 0.000 1.103 303 H CA -0.230 55.828 56.048 0.016 0.000 1.426 303 H CB 0.484 30.247 29.762 0.003 0.000 1.424 303 H HN 0.255 nan 8.280 nan 0.000 0.599 304 L N 2.781 124.127 121.223 0.205 0.000 2.334 304 L HA 0.464 4.805 4.340 0.002 0.000 0.272 304 L C -0.534 176.461 176.870 0.207 0.000 1.020 304 L CA -0.714 54.279 54.840 0.254 0.000 0.812 304 L CB 1.230 43.557 42.059 0.447 0.000 1.264 304 L HN 0.348 nan 8.230 nan 0.000 0.439 305 L N 3.371 124.696 121.223 0.171 0.000 2.381 305 L HA 0.526 4.867 4.340 0.002 0.000 0.274 305 L C -1.108 175.833 176.870 0.119 0.000 0.988 305 L CA -0.582 54.323 54.840 0.109 0.000 0.824 305 L CB 2.094 44.174 42.059 0.034 0.000 1.263 305 L HN 0.307 nan 8.230 nan 0.000 0.410 306 L N 2.760 124.039 121.223 0.093 0.000 2.362 306 L HA 0.648 4.989 4.340 0.002 0.000 0.275 306 L C 0.119 176.952 176.870 -0.062 0.000 0.998 306 L CA -0.384 54.496 54.840 0.066 0.000 0.820 306 L CB 1.824 43.952 42.059 0.115 0.000 1.270 306 L HN 0.661 nan 8.230 nan 0.000 0.415 307 A N 2.818 125.610 122.820 -0.047 0.000 2.290 307 A HA 0.364 4.685 4.320 0.002 0.000 0.310 307 A C 0.191 177.684 177.584 -0.152 0.000 1.202 307 A CA -0.471 51.499 52.037 -0.112 0.000 0.837 307 A CB 0.526 19.479 19.000 -0.079 0.000 1.139 307 A HN 0.731 nan 8.150 nan 0.000 0.509 308 E N 2.688 122.722 120.200 -0.276 0.000 1.996 308 E HA 0.134 4.485 4.350 0.002 0.000 0.280 308 E C -1.331 175.194 176.600 -0.125 0.000 1.092 308 E CA -0.016 56.251 56.400 -0.223 0.000 0.862 308 E CB 0.310 29.793 29.700 -0.362 0.000 1.066 308 E HN 0.659 nan 8.360 nan 0.000 0.396 309 D N 3.032 123.387 120.400 -0.076 0.000 2.936 309 D HA 0.036 4.677 4.640 0.002 0.000 0.238 309 D C 0.105 176.293 176.300 -0.187 0.000 1.248 309 D CA -0.442 53.433 54.000 -0.209 0.000 0.903 309 D CB 0.852 41.524 40.800 -0.213 0.000 1.544 309 D HN 0.677 nan 8.370 nan 0.000 0.543 310 H N 1.804 120.767 119.070 -0.179 0.000 2.539 310 H HA 0.297 4.853 4.556 0.001 0.000 0.269 310 H C 1.070 176.209 175.328 -0.315 0.000 0.980 310 H CA 0.190 56.104 56.048 -0.224 0.000 1.152 310 H CB 0.098 29.727 29.762 -0.222 0.000 1.407 310 H HN 0.153 nan 8.280 nan 0.000 0.564 311 R N 0.454 120.744 120.500 -0.351 0.000 2.307 311 R HA 0.015 4.356 4.340 0.002 0.000 0.199 311 R C -0.200 175.889 176.300 -0.352 0.000 1.000 311 R CA 0.368 56.308 56.100 -0.266 0.000 1.023 311 R CB -0.091 30.043 30.300 -0.275 0.000 0.908 311 R HN 0.248 nan 8.270 nan 0.000 0.473 312 N N 0.685 119.004 118.700 -0.634 0.000 2.696 312 N HA -0.184 4.557 4.740 0.002 0.000 0.256 312 N C -1.469 173.582 175.510 -0.764 0.000 1.031 312 N CA 0.693 52.850 53.050 -1.488 0.000 0.730 312 N CB -0.884 36.609 38.487 -1.655 0.000 0.894 312 N HN 0.094 nan 8.380 nan 0.000 0.544 313 L N 0.827 121.818 121.223 -0.387 0.000 2.353 313 L HA 0.522 4.863 4.340 0.002 0.000 0.270 313 L C -1.619 175.275 176.870 0.039 0.000 1.003 313 L CA -1.722 53.038 54.840 -0.133 0.000 0.862 313 L CB 1.564 43.481 42.059 -0.237 0.000 1.221 313 L HN -0.136 nan 8.230 nan 0.000 0.430 314 P HA -0.067 nan 4.420 nan 0.000 0.222 314 P C 0.483 177.771 177.300 -0.020 0.000 1.147 314 P CA 0.874 64.068 63.100 0.156 0.000 0.790 314 P CB 0.339 32.125 31.700 0.143 0.000 0.780 315 D N -0.212 120.127 120.400 -0.102 0.000 2.271 315 D HA -0.128 4.512 4.640 0.002 0.000 0.207 315 D C 1.972 178.168 176.300 -0.173 0.000 0.983 315 D CA 0.744 54.651 54.000 -0.155 0.000 0.878 315 D CB -0.828 39.851 40.800 -0.201 0.000 0.920 315 D HN 0.207 nan 8.370 nan 0.000 0.479 316 L N -0.206 120.929 121.223 -0.147 0.000 2.079 316 L HA -0.180 4.161 4.340 0.002 0.000 0.210 316 L C 2.290 179.090 176.870 -0.116 0.000 1.081 316 L CA 0.753 55.508 54.840 -0.141 0.000 0.752 316 L CB -0.252 41.744 42.059 -0.105 0.000 0.896 316 L HN 0.017 nan 8.230 nan 0.000 0.433 317 V N -1.027 118.832 119.914 -0.091 0.000 2.426 317 V HA -0.158 3.963 4.120 0.002 0.000 0.242 317 V C 2.516 178.549 176.094 -0.101 0.000 1.036 317 V CA 2.006 64.265 62.300 -0.069 0.000 1.044 317 V CB -0.410 31.373 31.823 -0.066 0.000 0.688 317 V HN 0.618 nan 8.190 nan 0.000 0.462 318 T N -2.974 111.507 114.554 -0.123 0.000 3.067 318 T HA 0.055 4.406 4.350 0.002 0.000 0.257 318 T C 1.417 175.954 174.700 -0.271 0.000 1.105 318 T CA 1.104 63.135 62.100 -0.115 0.000 1.104 318 T CB 0.550 69.378 68.868 -0.065 0.000 0.925 318 T HN 0.211 nan 8.240 nan 0.000 0.498 319 V N 1.239 120.928 119.914 -0.376 0.000 2.996 319 V HA 0.203 4.324 4.120 0.002 0.000 0.235 319 V C 1.928 177.651 176.094 -0.618 0.000 1.205 319 V CA 0.579 62.612 62.300 -0.445 0.000 1.225 319 V CB -0.327 31.358 31.823 -0.231 0.000 0.995 319 V HN 0.355 nan 8.190 nan 0.000 0.484 320 N N -0.670 117.787 118.700 -0.406 0.000 2.494 320 N HA -0.043 4.697 4.740 0.002 0.000 0.182 320 N C 0.186 175.596 175.510 -0.166 0.000 1.076 320 N CA 0.545 53.446 53.050 -0.250 0.000 0.908 320 N CB 0.019 38.405 38.487 -0.169 0.000 0.967 320 N HN 0.445 nan 8.380 nan 0.000 0.449 321 H N -1.349 117.718 119.070 -0.005 0.000 2.936 321 H HA -0.130 4.427 4.556 0.002 0.000 0.276 321 H C -0.285 175.075 175.328 0.054 0.000 1.216 321 H CA 0.452 56.524 56.048 0.040 0.000 1.132 321 H CB -2.144 27.672 29.762 0.090 0.000 1.303 321 H HN 0.258 nan 8.280 nan 0.000 0.370 322 L N 0.445 121.704 121.223 0.060 0.000 2.472 322 L HA 0.059 4.400 4.340 0.002 0.000 0.260 322 L C 1.748 178.663 176.870 0.075 0.000 1.209 322 L CA 0.123 54.995 54.840 0.054 0.000 0.817 322 L CB 0.431 42.493 42.059 0.005 0.000 1.106 322 L HN 0.027 nan 8.230 nan 0.000 0.479 323 D N 0.133 120.589 120.400 0.094 0.000 2.240 323 D HA 0.143 4.784 4.640 0.002 0.000 0.206 323 D C 0.654 176.994 176.300 0.067 0.000 0.963 323 D CA 0.779 54.841 54.000 0.103 0.000 0.863 323 D CB 0.930 41.824 40.800 0.157 0.000 0.973 323 D HN 0.710 nan 8.370 nan 0.000 0.501 324 G N -0.109 108.733 108.800 0.070 0.000 2.495 324 G HA2 0.550 4.510 3.960 0.002 0.000 0.294 324 G HA3 0.550 4.510 3.960 0.002 0.000 0.294 324 G C -1.834 173.118 174.900 0.085 0.000 1.397 324 G CA -0.710 44.420 45.100 0.049 0.000 0.790 324 G HN 0.000 nan 8.290 nan 0.000 0.486 325 I N -0.514 120.124 120.570 0.113 0.000 2.569 325 I HA 0.317 4.488 4.170 0.002 0.000 0.290 325 I C -1.124 175.198 176.117 0.341 0.000 1.088 325 I CA -0.608 60.803 61.300 0.185 0.000 1.047 325 I CB 2.477 40.577 38.000 0.167 0.000 1.237 325 I HN 0.420 nan 8.210 nan 0.000 0.421 326 W N 4.807 126.136 121.300 0.049 0.000 2.529 326 W HA 0.284 4.945 4.660 0.002 0.000 0.319 326 W C 0.813 177.406 176.519 0.124 0.000 1.362 326 W CA -0.229 57.159 57.345 0.071 0.000 1.348 326 W CB 0.615 30.075 29.460 -0.000 0.000 1.403 326 W HN 0.284 nan 8.180 nan 0.000 0.519 327 T N 2.826 117.612 114.554 0.387 0.000 2.792 327 T HA 0.221 4.572 4.350 0.002 0.000 0.280 327 T C 0.500 175.343 174.700 0.239 0.000 0.990 327 T CA -0.681 61.651 62.100 0.386 0.000 0.960 327 T CB 0.960 70.248 68.868 0.700 0.000 0.939 327 T HN 0.291 nan 8.240 nan 0.000 0.439 328 D N 2.952 123.386 120.400 0.057 0.000 2.354 328 D HA 0.045 4.686 4.640 0.002 0.000 0.209 328 D C 1.188 177.263 176.300 -0.374 0.000 1.015 328 D CA 0.245 54.087 54.000 -0.264 0.000 0.867 328 D CB 0.337 40.767 40.800 -0.617 0.000 0.933 328 D HN 0.624 nan 8.370 nan 0.000 0.520 329 D N 0.399 120.795 120.400 -0.006 0.000 2.123 329 D HA -0.177 4.464 4.640 0.002 0.000 0.196 329 D C 1.730 178.031 176.300 0.001 0.000 0.992 329 D CA 0.534 54.618 54.000 0.140 0.000 0.833 329 D CB -0.369 40.724 40.800 0.489 0.000 0.954 329 D HN 0.231 nan 8.370 nan 0.000 0.455 330 F N 1.251 121.078 119.950 -0.206 0.000 2.095 330 F HA -0.256 4.272 4.527 0.001 0.000 0.298 330 F C 2.457 178.093 175.800 -0.272 0.000 1.104 330 F CA 1.758 59.515 58.000 -0.405 0.000 1.232 330 F CB -0.334 37.976 39.000 -1.149 0.000 0.987 330 F HN 0.086 nan 8.300 nan 0.000 0.475 331 H N -0.568 118.391 119.070 -0.185 0.000 2.289 331 H HA -0.211 4.346 4.556 0.001 0.000 0.296 331 H C 2.185 177.455 175.328 -0.098 0.000 1.091 331 H CA 2.470 58.425 56.048 -0.154 0.000 1.274 331 H CB -0.626 29.097 29.762 -0.065 0.000 1.364 331 H HN 0.346 nan 8.280 nan 0.000 0.490 332 H N 0.295 119.266 119.070 -0.165 0.000 2.357 332 H HA -0.063 4.494 4.556 0.001 0.000 0.301 332 H C 2.380 177.461 175.328 -0.412 0.000 1.082 332 H CA 1.398 57.301 56.048 -0.242 0.000 1.342 332 H CB -0.405 28.931 29.762 -0.711 0.000 1.389 332 H HN 0.455 nan 8.280 nan 0.000 0.511 333 E N 0.222 120.213 120.200 -0.348 0.000 2.110 333 E HA -0.115 4.236 4.350 0.002 0.000 0.193 333 E C 2.063 178.529 176.600 -0.223 0.000 0.988 333 E CA 1.640 57.938 56.400 -0.169 0.000 0.804 333 E CB -0.012 29.643 29.700 -0.075 0.000 0.745 333 E HN 0.328 nan 8.360 nan 0.000 0.458 334 T N 0.007 114.318 114.554 -0.406 0.000 2.708 334 T HA -0.176 4.175 4.350 0.002 0.000 0.266 334 T C 1.854 176.411 174.700 -0.237 0.000 1.037 334 T CA 1.507 63.392 62.100 -0.358 0.000 1.146 334 T CB -0.284 68.255 68.868 -0.547 0.000 0.865 334 T HN 0.179 nan 8.240 nan 0.000 0.435 335 R N 0.576 120.891 120.500 -0.309 0.000 2.073 335 R HA -0.083 4.258 4.340 0.002 0.000 0.234 335 R C 2.310 178.480 176.300 -0.216 0.000 1.134 335 R CA 1.313 57.254 56.100 -0.265 0.000 0.952 335 R CB -0.536 29.561 30.300 -0.338 0.000 0.850 335 R HN 0.228 nan 8.270 nan 0.000 0.433 336 V N 0.477 120.298 119.914 -0.156 0.000 2.407 336 V HA -0.214 3.907 4.120 0.002 0.000 0.248 336 V C 2.176 178.210 176.094 -0.100 0.000 1.055 336 V CA 2.229 64.467 62.300 -0.103 0.000 1.049 336 V CB -0.557 31.294 31.823 0.047 0.000 0.662 336 V HN 0.484 nan 8.190 nan 0.000 0.455 337 T N 0.529 115.015 114.554 -0.114 0.000 2.720 337 T HA -0.156 4.195 4.350 0.002 0.000 0.268 337 T C 1.773 176.389 174.700 -0.140 0.000 1.037 337 T CA 1.621 63.636 62.100 -0.142 0.000 1.144 337 T CB -0.248 68.501 68.868 -0.199 0.000 0.864 337 T HN 0.332 nan 8.240 nan 0.000 0.444 338 L N 0.681 121.836 121.223 -0.114 0.000 2.341 338 L HA 0.058 4.399 4.340 0.002 0.000 0.214 338 L C 2.686 179.515 176.870 -0.069 0.000 1.115 338 L CA 1.315 56.115 54.840 -0.067 0.000 0.820 338 L CB -0.409 41.656 42.059 0.010 0.000 0.944 338 L HN 0.445 nan 8.230 nan 0.000 0.452 339 T N -5.838 108.653 114.554 -0.104 0.000 2.955 339 T HA 0.245 4.596 4.350 0.002 0.000 0.251 339 T C 1.493 176.129 174.700 -0.107 0.000 1.002 339 T CA 0.607 62.641 62.100 -0.109 0.000 0.970 339 T CB 0.987 69.761 68.868 -0.157 0.000 1.091 339 T HN 0.293 nan 8.240 nan 0.000 0.495 340 G N 2.574 111.309 108.800 -0.108 0.000 2.179 340 G HA2 -0.298 3.663 3.960 0.002 0.000 0.260 340 G HA3 -0.298 3.663 3.960 0.002 0.000 0.260 340 G C -0.046 174.800 174.900 -0.090 0.000 0.977 340 G CA 0.389 45.438 45.100 -0.084 0.000 0.641 340 G HN 1.117 nan 8.290 nan 0.000 0.533 341 E N 0.091 120.204 120.200 -0.146 0.000 2.415 341 E HA 0.381 4.732 4.350 0.002 0.000 0.262 341 E C 0.282 176.835 176.600 -0.078 0.000 1.038 341 E CA 0.133 56.440 56.400 -0.154 0.000 0.921 341 E CB 0.487 30.024 29.700 -0.271 0.000 0.950 341 E HN 0.276 nan 8.360 nan 0.000 0.438 342 Q N 0.801 120.583 119.800 -0.030 0.000 2.064 342 Q HA 0.121 4.462 4.340 0.002 0.000 0.213 342 Q C -0.781 175.228 176.000 0.015 0.000 0.779 342 Q CA -0.088 55.727 55.803 0.019 0.000 1.032 342 Q CB 0.970 29.701 28.738 -0.011 0.000 1.203 342 Q HN 0.547 nan 8.270 nan 0.000 0.457 343 E N 0.785 120.997 120.200 0.021 0.000 2.366 343 E HA 0.413 4.764 4.350 0.002 0.000 0.266 343 E C 0.998 177.559 176.600 -0.066 0.000 1.051 343 E CA 0.599 56.991 56.400 -0.013 0.000 0.884 343 E CB 0.739 30.436 29.700 -0.004 0.000 1.006 343 E HN 0.308 nan 8.360 nan 0.000 0.417 344 G N 2.397 111.128 108.800 -0.116 0.000 2.574 344 G HA2 -0.388 3.573 3.960 0.002 0.000 0.286 344 G HA3 -0.388 3.573 3.960 0.002 0.000 0.286 344 G C 0.709 175.483 174.900 -0.211 0.000 1.212 344 G CA 0.726 45.710 45.100 -0.193 0.000 0.979 344 G HN 0.675 nan 8.290 nan 0.000 0.557 345 Y N -1.197 119.019 120.300 -0.140 0.000 2.509 345 Y HA 0.256 4.807 4.550 0.001 0.000 0.293 345 Y C 2.518 178.351 175.900 -0.111 0.000 1.133 345 Y CA 1.369 59.416 58.100 -0.088 0.000 1.283 345 Y CB -0.751 37.717 38.460 0.014 0.000 1.001 345 Y HN 0.434 nan 8.280 nan 0.000 0.555 346 Y N 1.304 121.550 120.300 -0.090 0.000 2.403 346 Y HA -0.104 4.447 4.550 0.002 0.000 0.291 346 Y C 2.601 178.564 175.900 0.104 0.000 1.143 346 Y CA 0.570 58.715 58.100 0.075 0.000 1.257 346 Y CB -0.839 37.565 38.460 -0.092 0.000 0.984 346 Y HN 0.310 nan 8.280 nan 0.000 0.550 347 A N 0.013 122.859 122.820 0.044 0.000 2.178 347 A HA -0.061 4.260 4.320 0.002 0.000 0.218 347 A C 2.444 179.882 177.584 -0.244 0.000 1.157 347 A CA 1.354 53.338 52.037 -0.088 0.000 0.689 347 A CB -1.194 17.708 19.000 -0.164 0.000 0.787 347 A HN 0.447 nan 8.150 nan 0.000 0.465 348 G N -2.108 106.451 108.800 -0.401 0.000 2.920 348 G HA2 0.299 4.260 3.960 0.002 0.000 0.208 348 G HA3 0.299 4.260 3.960 0.002 0.000 0.208 348 G C 0.035 174.517 174.900 -0.697 0.000 1.159 348 G CA 0.164 44.768 45.100 -0.828 0.000 0.784 348 G HN 0.468 nan 8.290 nan 0.000 0.535 349 Y N -1.996 118.369 120.300 0.108 0.000 2.442 349 Y HA 0.466 5.017 4.550 0.002 0.000 0.344 349 Y C 1.046 176.982 175.900 0.059 0.000 0.976 349 Y CA -1.223 56.968 58.100 0.151 0.000 1.040 349 Y CB 1.921 40.515 38.460 0.223 0.000 1.228 349 Y HN -0.129 nan 8.280 nan 0.000 0.451 350 R N 1.805 122.391 120.500 0.144 0.000 2.112 350 R HA 0.320 4.661 4.340 0.002 0.000 0.216 350 R C 0.717 177.044 176.300 0.045 0.000 1.080 350 R CA 1.099 57.229 56.100 0.050 0.000 0.996 350 R CB -0.187 30.108 30.300 -0.008 0.000 0.902 350 R HN 1.054 nan 8.270 nan 0.000 0.449 351 G N -0.428 108.415 108.800 0.072 0.000 2.855 351 G HA2 0.132 4.093 3.960 0.002 0.000 0.352 351 G HA3 0.132 4.093 3.960 0.002 0.000 0.352 351 G C 0.091 174.952 174.900 -0.065 0.000 1.415 351 G CA -0.376 44.722 45.100 -0.003 0.000 0.871 351 G HN 0.976 nan 8.290 nan 0.000 0.543 352 G N -2.542 106.187 108.800 -0.118 0.000 2.612 352 G HA2 0.489 4.450 3.960 0.002 0.000 0.686 352 G HA3 0.489 4.450 3.960 0.002 0.000 0.686 352 G C 1.023 175.823 174.900 -0.167 0.000 1.274 352 G CA 0.874 45.883 45.100 -0.152 0.000 0.849 352 G HN 2.434 nan 8.290 nan 0.000 0.595 353 A N -0.311 122.403 122.820 -0.177 0.000 1.877 353 A HA 0.040 4.361 4.320 0.002 0.000 0.216 353 A C 2.141 179.617 177.584 -0.180 0.000 1.186 353 A CA 2.502 54.455 52.037 -0.141 0.000 0.620 353 A CB -0.575 18.391 19.000 -0.058 0.000 0.822 353 A HN 1.241 nan 8.150 nan 0.000 0.443 354 E N -0.035 119.928 120.200 -0.396 0.000 2.058 354 E HA -0.152 4.199 4.350 0.002 0.000 0.194 354 E C 2.124 178.607 176.600 -0.195 0.000 0.997 354 E CA 1.218 57.280 56.400 -0.564 0.000 0.801 354 E CB -0.306 28.863 29.700 -0.885 0.000 0.746 354 E HN 0.504 nan 8.360 nan 0.000 0.450 355 A N 1.176 123.909 122.820 -0.146 0.000 1.883 355 A HA -0.162 4.159 4.320 0.002 0.000 0.217 355 A C 2.261 179.875 177.584 0.050 0.000 1.186 355 A CA 1.322 53.342 52.037 -0.028 0.000 0.624 355 A CB -0.727 18.262 19.000 -0.018 0.000 0.822 355 A HN 0.346 nan 8.150 nan 0.000 0.444 356 L N -0.863 120.356 121.223 -0.007 0.000 2.046 356 L HA -0.195 4.146 4.340 0.002 0.000 0.208 356 L C 3.134 180.038 176.870 0.058 0.000 1.077 356 L CA 1.009 55.863 54.840 0.023 0.000 0.747 356 L CB -0.537 41.520 42.059 -0.004 0.000 0.896 356 L HN 0.452 nan 8.230 nan 0.000 0.432 357 A N -0.644 122.178 122.820 0.003 0.000 1.917 357 A HA -0.322 3.999 4.320 0.002 0.000 0.219 357 A C 2.178 179.763 177.584 0.002 0.000 1.182 357 A CA 2.005 54.018 52.037 -0.040 0.000 0.633 357 A CB -0.969 17.959 19.000 -0.120 0.000 0.819 357 A HN 0.511 nan 8.150 nan 0.000 0.448 358 Y N 0.808 121.075 120.300 -0.055 0.000 2.163 358 Y HA -0.154 4.397 4.550 0.001 0.000 0.288 358 Y C 2.728 178.632 175.900 0.006 0.000 1.136 358 Y CA 2.327 60.409 58.100 -0.030 0.000 1.147 358 Y CB -0.613 37.828 38.460 -0.032 0.000 0.987 358 Y HN 0.297 nan 8.280 nan 0.000 0.509 359 T N 1.283 115.943 114.554 0.176 0.000 2.720 359 T HA -0.202 4.149 4.350 0.002 0.000 0.268 359 T C 1.932 176.652 174.700 0.033 0.000 1.037 359 T CA 2.075 64.259 62.100 0.141 0.000 1.144 359 T CB -0.468 68.540 68.868 0.232 0.000 0.864 359 T HN 0.344 nan 8.240 nan 0.000 0.444 360 I N 1.466 122.077 120.570 0.069 0.000 2.179 360 I HA -0.220 3.951 4.170 0.002 0.000 0.242 360 I C 2.718 178.754 176.117 -0.135 0.000 1.088 360 I CA 1.517 62.846 61.300 0.049 0.000 1.357 360 I CB -0.417 37.645 38.000 0.103 0.000 1.051 360 I HN 0.273 nan 8.210 nan 0.000 0.409 361 R N 0.787 121.178 120.500 -0.182 0.000 2.189 361 R HA -0.066 4.275 4.340 0.002 0.000 0.223 361 R C 1.722 177.829 176.300 -0.322 0.000 1.092 361 R CA 0.977 56.935 56.100 -0.237 0.000 0.989 361 R CB -0.176 29.999 30.300 -0.208 0.000 0.876 361 R HN 0.182 nan 8.270 nan 0.000 0.457 362 R N -0.083 120.173 120.500 -0.408 0.000 2.362 362 R HA 0.229 4.570 4.340 0.002 0.000 0.227 362 R C 1.323 177.359 176.300 -0.440 0.000 0.905 362 R CA 0.584 56.450 56.100 -0.391 0.000 1.067 362 R CB 0.547 30.583 30.300 -0.440 0.000 1.078 362 R HN 0.551 nan 8.270 nan 0.000 0.516 363 G N 1.097 109.575 108.800 -0.536 0.000 3.548 363 G HA2 -0.306 3.654 3.960 0.002 0.000 0.224 363 G HA3 -0.306 3.654 3.960 0.002 0.000 0.224 363 G C -0.188 174.527 174.900 -0.308 0.000 1.351 363 G CA 0.708 45.181 45.100 -1.044 0.000 0.905 363 G HN 0.381 nan 8.290 nan 0.000 0.561 364 W N -0.500 120.838 121.300 0.064 0.000 2.902 364 W HA 0.891 5.552 4.660 0.002 0.000 0.346 364 W C 0.694 177.326 176.519 0.189 0.000 1.139 364 W CA -0.981 56.497 57.345 0.221 0.000 1.139 364 W CB 0.764 30.422 29.460 0.330 0.000 1.439 364 W HN 0.285 nan 8.180 nan 0.000 0.558 365 R N -0.113 120.751 120.500 0.606 0.000 2.066 365 R HA 0.100 4.440 4.340 0.002 0.000 0.224 365 R C -0.288 176.205 176.300 0.322 0.000 1.122 365 R CA 0.655 57.024 56.100 0.447 0.000 0.974 365 R CB -0.410 30.118 30.300 0.380 0.000 0.871 365 R HN 0.541 nan 8.270 nan 0.000 0.435 366 Y N 1.445 121.946 120.300 0.335 0.000 2.452 366 Y HA 0.141 4.692 4.550 0.002 0.000 0.348 366 Y C 0.069 176.047 175.900 0.130 0.000 0.985 366 Y CA 0.018 58.214 58.100 0.161 0.000 1.214 366 Y CB 1.466 39.930 38.460 0.006 0.000 1.136 366 Y HN 0.171 nan 8.280 nan 0.000 0.523 367 E N 2.225 122.584 120.200 0.266 0.000 2.812 367 E HA 0.270 4.621 4.350 0.002 0.000 0.211 367 E C 1.046 177.721 176.600 0.125 0.000 0.986 367 E CA 0.256 56.826 56.400 0.284 0.000 1.119 367 E CB 0.817 30.724 29.700 0.346 0.000 1.046 367 E HN 1.017 nan 8.360 nan 0.000 0.474 368 G N 1.688 110.526 108.800 0.063 0.000 2.485 368 G HA2 -0.210 3.751 3.960 0.002 0.000 0.181 368 G HA3 -0.210 3.751 3.960 0.002 0.000 0.181 368 G C 0.350 175.292 174.900 0.071 0.000 0.999 368 G CA -0.360 44.737 45.100 -0.005 0.000 0.721 368 G HN 0.188 nan 8.290 nan 0.000 0.486 369 Q N 0.529 120.407 119.800 0.131 0.000 2.471 369 Q HA 0.497 4.838 4.340 0.002 0.000 0.223 369 Q C -0.284 175.883 176.000 0.279 0.000 1.045 369 Q CA -0.636 55.268 55.803 0.169 0.000 0.956 369 Q CB 0.866 29.662 28.738 0.098 0.000 1.249 369 Q HN 0.382 nan 8.270 nan 0.000 0.549 370 F N 1.931 121.949 119.950 0.114 0.000 2.543 370 F HA 0.114 4.642 4.527 0.001 0.000 0.375 370 F C -0.288 175.642 175.800 0.216 0.000 1.075 370 F CA -0.403 57.656 58.000 0.099 0.000 1.225 370 F CB 0.409 39.438 39.000 0.049 0.000 1.099 370 F HN 0.557 nan 8.300 nan 0.000 0.561 371 W N 7.941 128.816 121.300 -0.710 0.000 2.342 371 W HA 0.497 5.157 4.660 0.001 0.000 0.310 371 W C -0.613 175.384 176.519 -0.871 0.000 1.128 371 W CA -0.666 56.239 57.345 -0.734 0.000 1.322 371 W CB 1.543 30.452 29.460 -0.918 0.000 1.251 371 W HN 0.692 nan 8.180 nan 0.000 0.439 372 A N 5.626 128.027 122.820 -0.699 0.000 2.345 372 A HA 0.182 4.503 4.320 0.002 0.000 0.225 372 A C 0.217 177.526 177.584 -0.458 0.000 1.243 372 A CA -0.116 51.670 52.037 -0.419 0.000 0.875 372 A CB -0.299 18.676 19.000 -0.042 0.000 0.929 372 A HN 0.304 nan 8.150 nan 0.000 0.502 373 V N 1.916 121.329 119.914 -0.834 0.000 2.493 373 V HA -0.037 4.084 4.120 0.002 0.000 0.292 373 V C 0.610 176.544 176.094 -0.267 0.000 1.016 373 V CA 0.241 62.172 62.300 -0.614 0.000 1.097 373 V CB -0.010 31.296 31.823 -0.862 0.000 0.947 373 V HN 0.454 nan 8.190 nan 0.000 0.479 374 K N 4.005 124.305 120.400 -0.167 0.000 2.484 374 K HA 0.319 4.640 4.320 0.002 0.000 0.280 374 K C 1.289 177.862 176.600 -0.044 0.000 1.013 374 K CA 0.938 57.178 56.287 -0.077 0.000 1.029 374 K CB 0.270 32.733 32.500 -0.060 0.000 0.902 374 K HN 1.077 nan 8.250 nan 0.000 0.481 375 G N 2.729 111.521 108.800 -0.013 0.000 2.199 375 G HA2 -0.286 3.675 3.960 0.002 0.000 0.254 375 G HA3 -0.286 3.675 3.960 0.002 0.000 0.254 375 G C 0.367 175.283 174.900 0.027 0.000 0.982 375 G CA 0.262 45.362 45.100 0.001 0.000 0.632 375 G HN 0.718 nan 8.290 nan 0.000 0.529 376 E N -0.026 120.208 120.200 0.058 0.000 2.759 376 E HA 0.187 4.538 4.350 0.002 0.000 0.220 376 E C -0.341 176.419 176.600 0.266 0.000 0.974 376 E CA -0.293 56.203 56.400 0.160 0.000 1.148 376 E CB 0.559 30.450 29.700 0.318 0.000 1.059 376 E HN 0.558 nan 8.360 nan 0.000 0.493 377 E N 2.771 123.031 120.200 0.100 0.000 2.415 377 E HA 0.021 4.372 4.350 0.002 0.000 0.260 377 E C 0.010 176.664 176.600 0.090 0.000 1.016 377 E CA 0.605 56.962 56.400 -0.071 0.000 0.924 377 E CB 0.177 29.910 29.700 0.055 0.000 0.961 377 E HN 0.244 nan 8.360 nan 0.000 0.459 378 H N 0.450 119.338 119.070 -0.303 0.000 2.917 378 H HA 0.292 4.849 4.556 0.002 0.000 0.299 378 H C -1.022 174.266 175.328 -0.067 0.000 1.418 378 H CA -1.136 54.878 56.048 -0.057 0.000 1.138 378 H CB 0.445 30.195 29.762 -0.021 0.000 1.830 378 H HN 0.384 nan 8.280 nan 0.000 0.514 379 E N 1.396 121.608 120.200 0.020 0.000 2.129 379 E HA 0.213 4.564 4.350 0.002 0.000 0.283 379 E C -0.064 176.399 176.600 -0.228 0.000 1.080 379 E CA -0.314 56.070 56.400 -0.026 0.000 0.867 379 E CB 1.393 31.154 29.700 0.101 0.000 1.056 379 E HN 0.248 nan 8.360 nan 0.000 0.404 380 R N 2.721 123.003 120.500 -0.363 0.000 2.294 380 R HA 0.504 4.845 4.340 0.002 0.000 0.319 380 R C 0.021 176.209 176.300 -0.187 0.000 0.984 380 R CA 0.285 56.149 56.100 -0.394 0.000 0.861 380 R CB 0.849 30.742 30.300 -0.678 0.000 1.104 380 R HN 0.697 nan 8.270 nan 0.000 0.451 381 G N 2.131 110.766 108.800 -0.274 0.000 2.655 381 G HA2 -0.147 3.814 3.960 0.002 0.000 0.680 381 G HA3 -0.147 3.814 3.960 0.002 0.000 0.680 381 G C -1.618 172.991 174.900 -0.484 0.000 1.302 381 G CA -0.761 44.170 45.100 -0.281 0.000 0.872 381 G HN 0.758 nan 8.290 nan 0.000 0.540 382 H N -0.451 118.665 119.070 0.077 0.000 2.980 382 H HA 0.610 5.167 4.556 0.001 0.000 0.367 382 H C -2.486 173.075 175.328 0.388 0.000 1.206 382 H CA -1.208 54.954 56.048 0.190 0.000 1.126 382 H CB 1.959 31.808 29.762 0.144 0.000 1.838 382 H HN 0.542 nan 8.280 nan 0.000 0.552 383 P HA -0.036 nan 4.420 nan 0.000 0.262 383 P C 0.374 177.879 177.300 0.342 0.000 1.182 383 P CA 0.229 63.524 63.100 0.324 0.000 0.761 383 P CB 0.603 32.423 31.700 0.201 0.000 0.795 384 S N 0.354 116.174 115.700 0.201 0.000 2.605 384 S HA 0.011 4.481 4.470 0.002 0.000 0.217 384 S C 0.890 175.467 174.600 -0.038 0.000 0.958 384 S CA 0.071 58.236 58.200 -0.057 0.000 0.919 384 S CB -0.653 62.230 63.200 -0.528 0.000 0.780 384 S HN 0.215 nan 8.310 nan 0.000 0.507 385 D N 3.243 123.654 120.400 0.018 0.000 2.149 385 D HA -0.040 4.601 4.640 0.002 0.000 0.198 385 D C 2.078 178.375 176.300 -0.005 0.000 0.990 385 D CA 1.526 55.528 54.000 0.003 0.000 0.839 385 D CB -0.434 40.378 40.800 0.021 0.000 0.948 385 D HN 0.599 nan 8.370 nan 0.000 0.460 386 A N 0.104 122.923 122.820 -0.002 0.000 2.067 386 A HA -0.006 4.315 4.320 0.002 0.000 0.219 386 A C 0.994 178.547 177.584 -0.052 0.000 1.158 386 A CA 0.516 52.543 52.037 -0.017 0.000 0.661 386 A CB -0.437 18.559 19.000 -0.008 0.000 0.801 386 A HN 0.180 nan 8.150 nan 0.000 0.452 387 L N 0.139 121.306 121.223 -0.095 0.000 2.350 387 L HA 0.432 4.773 4.340 0.002 0.000 0.275 387 L C 0.248 177.093 176.870 -0.041 0.000 1.099 387 L CA -0.595 54.132 54.840 -0.189 0.000 0.808 387 L CB 0.966 42.678 42.059 -0.579 0.000 1.149 387 L HN 0.213 nan 8.230 nan 0.000 0.442 388 E N 0.963 121.132 120.200 -0.053 0.000 2.232 388 E HA 0.444 4.795 4.350 0.002 0.000 0.265 388 E C 0.533 177.183 176.600 0.085 0.000 1.001 388 E CA 0.066 56.476 56.400 0.016 0.000 0.870 388 E CB 1.850 31.538 29.700 -0.021 0.000 1.175 388 E HN 0.545 nan 8.360 nan 0.000 0.407 389 A N 3.176 126.033 122.820 0.062 0.000 1.903 389 A HA -0.134 4.187 4.320 0.002 0.000 0.219 389 A C -0.800 176.809 177.584 0.041 0.000 1.191 389 A CA 1.990 54.053 52.037 0.044 0.000 0.638 389 A CB -1.764 17.191 19.000 -0.076 0.000 0.823 389 A HN 0.676 nan 8.150 nan 0.000 0.451 390 P HA -0.088 nan 4.420 nan 0.000 0.222 390 P C 0.838 178.122 177.300 -0.027 0.000 1.147 390 P CA 0.988 64.070 63.100 -0.031 0.000 0.790 390 P CB -0.161 31.521 31.700 -0.030 0.000 0.780 391 N N -0.978 117.669 118.700 -0.088 0.000 2.443 391 N HA -0.069 4.672 4.740 0.002 0.000 0.184 391 N C 0.102 175.446 175.510 -0.277 0.000 1.037 391 N CA 0.798 53.724 53.050 -0.206 0.000 0.896 391 N CB -0.377 37.877 38.487 -0.388 0.000 0.959 391 N HN 0.233 nan 8.380 nan 0.000 0.442 392 F N 0.572 120.452 119.950 -0.117 0.000 2.410 392 F HA 0.277 4.805 4.527 0.001 0.000 0.349 392 F C 0.389 176.106 175.800 -0.138 0.000 1.117 392 F CA -0.766 57.169 58.000 -0.109 0.000 1.104 392 F CB 1.146 39.945 39.000 -0.334 0.000 1.122 392 F HN -0.373 nan 8.300 nan 0.000 0.483 393 V N 4.879 124.897 119.914 0.173 0.000 2.370 393 V HA 0.257 4.378 4.120 0.002 0.000 0.279 393 V C -0.588 175.600 176.094 0.155 0.000 1.029 393 V CA -0.755 61.582 62.300 0.062 0.000 0.870 393 V CB 0.469 32.260 31.823 -0.053 0.000 0.984 393 V HN 0.446 nan 8.190 nan 0.000 0.451 394 Y N 3.592 123.805 120.300 -0.144 0.000 2.446 394 Y HA 0.775 5.326 4.550 0.001 0.000 0.338 394 Y C 0.398 176.219 175.900 -0.130 0.000 1.055 394 Y CA -1.614 56.378 58.100 -0.179 0.000 1.101 394 Y CB 1.923 40.072 38.460 -0.520 0.000 1.221 394 Y HN 0.905 nan 8.280 nan 0.000 0.460 395 C N 1.633 121.028 119.300 0.157 0.000 3.288 395 C HA 0.648 5.109 4.460 0.002 0.000 0.318 395 C C 0.741 175.918 174.990 0.311 0.000 1.356 395 C CA -1.018 58.084 59.018 0.141 0.000 1.359 395 C CB 0.574 28.282 27.740 -0.053 0.000 1.688 395 C HN 0.903 nan 8.230 nan 0.000 0.467 396 I N -1.938 118.784 120.570 0.254 0.000 4.057 396 I HA 0.329 4.500 4.170 0.002 0.000 0.334 396 I C -0.069 176.252 176.117 0.340 0.000 1.308 396 I CA 0.481 61.938 61.300 0.263 0.000 1.125 396 I CB -0.110 37.967 38.000 0.129 0.000 1.034 396 I HN 0.679 nan 8.210 nan 0.000 0.401 397 Q N 2.589 122.517 119.800 0.214 0.000 2.353 397 Q HA 0.423 4.764 4.340 0.002 0.000 0.275 397 Q C -1.598 174.363 176.000 -0.064 0.000 1.029 397 Q CA -0.410 55.454 55.803 0.101 0.000 0.848 397 Q CB 2.611 31.422 28.738 0.121 0.000 1.390 397 Q HN 0.572 nan 8.270 nan 0.000 0.401 398 N N -1.216 117.332 118.700 -0.252 0.000 3.243 398 N HA 0.170 4.910 4.740 0.002 0.000 0.280 398 N C 0.711 175.802 175.510 -0.698 0.000 1.545 398 N CA -0.469 52.374 53.050 -0.346 0.000 0.854 398 N CB 0.039 38.393 38.487 -0.222 0.000 1.612 398 N HN 0.572 nan 8.380 nan 0.000 0.577 399 H N -1.495 117.232 119.070 -0.571 0.000 2.387 399 H HA -0.046 4.511 4.556 0.001 0.000 0.299 399 H C -0.149 174.973 175.328 -0.344 0.000 1.099 399 H CA 1.679 57.290 56.048 -0.730 0.000 1.315 399 H CB -0.235 29.252 29.762 -0.459 0.000 1.380 399 H HN 0.544 nan 8.280 nan 0.000 0.513 400 D N 0.688 120.707 120.400 -0.634 0.000 2.162 400 D HA -0.076 4.565 4.640 0.002 0.000 0.203 400 D C 2.161 178.436 176.300 -0.041 0.000 0.967 400 D CA 0.648 54.531 54.000 -0.195 0.000 0.840 400 D CB 0.068 40.709 40.800 -0.265 0.000 0.972 400 D HN 0.373 nan 8.370 nan 0.000 0.482 401 Q N -0.113 119.590 119.800 -0.161 0.000 2.451 401 Q HA 0.103 4.444 4.340 0.002 0.000 0.206 401 Q C 2.038 178.077 176.000 0.065 0.000 0.947 401 Q CA 0.184 55.972 55.803 -0.025 0.000 0.937 401 Q CB 0.682 29.229 28.738 -0.317 0.000 1.025 401 Q HN 0.442 nan 8.270 nan 0.000 0.511 402 I N -1.244 119.309 120.570 -0.029 0.000 2.899 402 I HA 0.040 4.211 4.170 0.002 0.000 0.257 402 I C 2.064 178.285 176.117 0.174 0.000 1.115 402 I CA 0.798 62.120 61.300 0.037 0.000 1.451 402 I CB -0.286 37.658 38.000 -0.094 0.000 1.251 402 I HN 0.095 nan 8.210 nan 0.000 0.456 403 G N 1.716 110.690 108.800 0.290 0.000 2.534 403 G HA2 -0.212 3.749 3.960 0.002 0.000 0.217 403 G HA3 -0.212 3.749 3.960 0.002 0.000 0.217 403 G C 1.226 176.424 174.900 0.496 0.000 1.128 403 G CA 0.772 46.220 45.100 0.581 0.000 0.784 403 G HN 0.491 nan 8.290 nan 0.000 0.542 404 N N 0.378 119.294 118.700 0.359 0.000 2.494 404 N HA -0.021 4.720 4.740 0.002 0.000 0.182 404 N C 0.853 176.506 175.510 0.238 0.000 1.076 404 N CA -0.022 53.197 53.050 0.282 0.000 0.908 404 N CB -0.165 38.470 38.487 0.246 0.000 0.967 404 N HN 0.212 nan 8.380 nan 0.000 0.449 405 R N 0.704 121.283 120.500 0.132 0.000 2.490 405 R HA 0.198 4.539 4.340 0.002 0.000 0.278 405 R C -1.487 174.643 176.300 -0.284 0.000 1.069 405 R CA -1.633 54.450 56.100 -0.028 0.000 1.080 405 R CB 0.404 30.707 30.300 0.006 0.000 1.030 405 R HN 0.054 nan 8.270 nan 0.000 0.491 406 P HA -0.192 nan 4.420 nan 0.000 0.216 406 P C 0.708 177.779 177.300 -0.382 0.000 1.157 406 P CA 1.628 64.119 63.100 -1.014 0.000 0.880 406 P CB 0.175 31.390 31.700 -0.809 0.000 0.791 407 L N -3.116 117.984 121.223 -0.206 0.000 2.728 407 L HA 0.359 4.700 4.340 0.002 0.000 0.238 407 L C 1.189 178.052 176.870 -0.011 0.000 1.143 407 L CA 0.315 55.105 54.840 -0.083 0.000 0.937 407 L CB -0.681 41.336 42.059 -0.070 0.000 1.225 407 L HN 0.094 nan 8.230 nan 0.000 0.507 408 G N 1.751 110.556 108.800 0.009 0.000 2.283 408 G HA2 -0.284 3.677 3.960 0.002 0.000 0.280 408 G HA3 -0.284 3.677 3.960 0.002 0.000 0.280 408 G C 0.276 175.225 174.900 0.082 0.000 1.029 408 G CA 0.567 45.726 45.100 0.098 0.000 0.840 408 G HN 0.553 nan 8.290 nan 0.000 0.505 409 E N 0.441 120.653 120.200 0.020 0.000 2.343 409 E HA 0.433 4.784 4.350 0.002 0.000 0.269 409 E C 0.529 177.114 176.600 -0.024 0.000 1.047 409 E CA -0.595 55.793 56.400 -0.020 0.000 0.874 409 E CB 0.972 30.634 29.700 -0.064 0.000 1.033 409 E HN 0.484 nan 8.360 nan 0.000 0.409 410 R N 1.313 121.763 120.500 -0.084 0.000 2.649 410 R HA 0.117 4.458 4.340 0.002 0.000 0.270 410 R C 1.294 177.532 176.300 -0.103 0.000 1.105 410 R CA -0.635 55.431 56.100 -0.056 0.000 1.193 410 R CB 0.342 30.614 30.300 -0.046 0.000 1.120 410 R HN 0.494 nan 8.270 nan 0.000 0.561 411 L N 1.789 123.075 121.223 0.105 0.000 2.012 411 L HA -0.215 4.126 4.340 0.002 0.000 0.210 411 L C 2.085 178.987 176.870 0.052 0.000 1.073 411 L CA 2.128 57.059 54.840 0.150 0.000 0.748 411 L CB -0.723 41.549 42.059 0.355 0.000 0.891 411 L HN 0.807 nan 8.230 nan 0.000 0.431 412 H N -2.704 116.271 119.070 -0.159 0.000 2.545 412 H HA -0.008 4.549 4.556 0.002 0.000 0.282 412 H C 1.787 177.027 175.328 -0.148 0.000 1.020 412 H CA 0.938 56.817 56.048 -0.283 0.000 1.243 412 H CB -0.400 28.893 29.762 -0.781 0.000 1.377 412 H HN 0.527 nan 8.280 nan 0.000 0.581 413 Q N 0.616 120.093 119.800 -0.538 0.000 2.398 413 Q HA 0.158 4.499 4.340 0.002 0.000 0.204 413 Q C 0.302 176.204 176.000 -0.164 0.000 0.932 413 Q CA 0.009 55.607 55.803 -0.342 0.000 0.916 413 Q CB 0.672 29.192 28.738 -0.363 0.000 1.024 413 Q HN 0.292 nan 8.270 nan 0.000 0.504 414 S N 1.485 117.110 115.700 -0.126 0.000 2.579 414 S HA 0.020 4.491 4.470 0.002 0.000 0.275 414 S C -0.300 174.261 174.600 -0.066 0.000 1.345 414 S CA -0.481 57.668 58.200 -0.085 0.000 1.031 414 S CB 0.437 63.593 63.200 -0.074 0.000 0.892 414 S HN 0.145 nan 8.310 nan 0.000 0.529 415 D N 1.221 121.583 120.400 -0.063 0.000 2.487 415 D HA 0.349 4.989 4.640 0.002 0.000 0.243 415 D C 1.277 177.550 176.300 -0.045 0.000 1.154 415 D CA 1.587 55.557 54.000 -0.051 0.000 0.876 415 D CB 0.401 41.171 40.800 -0.050 0.000 1.161 415 D HN 0.784 nan 8.370 nan 0.000 0.478 416 G N 1.450 110.231 108.800 -0.033 0.000 2.284 416 G HA2 -0.289 3.672 3.960 0.002 0.000 0.230 416 G HA3 -0.289 3.672 3.960 0.002 0.000 0.230 416 G C 0.431 175.326 174.900 -0.008 0.000 1.021 416 G CA 0.042 45.127 45.100 -0.024 0.000 0.619 416 G HN 0.556 nan 8.290 nan 0.000 0.510 417 V N 3.468 123.382 119.914 -0.000 0.000 2.493 417 V HA 0.421 4.542 4.120 0.002 0.000 0.292 417 V C 1.391 177.521 176.094 0.061 0.000 1.016 417 V CA 0.845 63.171 62.300 0.044 0.000 1.097 417 V CB 0.593 32.454 31.823 0.063 0.000 0.947 417 V HN 0.893 nan 8.190 nan 0.000 0.479 418 T N 2.941 117.548 114.554 0.089 0.000 2.899 418 T HA 0.449 4.800 4.350 0.002 0.000 0.284 418 T C 1.091 175.894 174.700 0.172 0.000 1.004 418 T CA -0.706 61.443 62.100 0.081 0.000 1.043 418 T CB 1.047 69.936 68.868 0.036 0.000 1.013 418 T HN 0.335 nan 8.240 nan 0.000 0.518 419 L N 0.549 121.863 121.223 0.150 0.000 2.191 419 L HA -0.092 4.249 4.340 0.002 0.000 0.212 419 L C 2.790 179.904 176.870 0.407 0.000 1.103 419 L CA 1.403 56.396 54.840 0.254 0.000 0.769 419 L CB -0.632 41.541 42.059 0.190 0.000 0.908 419 L HN 0.856 nan 8.230 nan 0.000 0.438 420 H N -0.594 118.584 119.070 0.180 0.000 2.353 420 H HA -0.165 4.392 4.556 0.001 0.000 0.300 420 H C 2.088 177.562 175.328 0.245 0.000 1.090 420 H CA 1.199 57.360 56.048 0.188 0.000 1.327 420 H CB 0.241 30.100 29.762 0.160 0.000 1.383 420 H HN 0.418 nan 8.280 nan 0.000 0.508 421 E N 0.360 120.805 120.200 0.407 0.000 2.077 421 E HA -0.213 4.138 4.350 0.002 0.000 0.193 421 E C 1.898 178.763 176.600 0.441 0.000 0.989 421 E CA 0.925 57.597 56.400 0.453 0.000 0.800 421 E CB -0.139 29.761 29.700 0.333 0.000 0.746 421 E HN 0.429 nan 8.360 nan 0.000 0.452 422 Y N 1.699 122.138 120.300 0.232 0.000 2.165 422 Y HA -0.238 4.313 4.550 0.001 0.000 0.286 422 Y C 2.115 178.075 175.900 0.099 0.000 1.155 422 Y CA 1.693 59.900 58.100 0.177 0.000 1.164 422 Y CB 0.052 38.619 38.460 0.178 0.000 0.978 422 Y HN -0.141 nan 8.280 nan 0.000 0.513 423 R N -0.803 119.796 120.500 0.165 0.000 2.092 423 R HA -0.081 4.260 4.340 0.002 0.000 0.231 423 R C 2.573 178.740 176.300 -0.221 0.000 1.119 423 R CA 0.961 57.045 56.100 -0.026 0.000 0.970 423 R CB -0.858 29.483 30.300 0.070 0.000 0.864 423 R HN 0.497 nan 8.270 nan 0.000 0.440 424 G N 0.909 109.598 108.800 -0.185 0.000 2.418 424 G HA2 -0.281 3.680 3.960 0.002 0.000 0.217 424 G HA3 -0.281 3.680 3.960 0.002 0.000 0.217 424 G C 1.552 175.716 174.900 -1.227 0.000 1.158 424 G CA 0.833 45.541 45.100 -0.652 0.000 0.771 424 G HN 0.400 nan 8.290 nan 0.000 0.545 425 A N 1.180 123.467 122.820 -0.888 0.000 1.902 425 A HA 0.244 4.565 4.320 0.002 0.000 0.217 425 A C 2.817 180.099 177.584 -0.504 0.000 1.181 425 A CA 2.264 53.838 52.037 -0.772 0.000 0.623 425 A CB -0.770 18.128 19.000 -0.171 0.000 0.818 425 A HN 0.799 nan 8.150 nan 0.000 0.443 426 A N -0.166 122.369 122.820 -0.476 0.000 1.902 426 A HA 0.154 4.475 4.320 0.002 0.000 0.217 426 A C 2.491 179.809 177.584 -0.445 0.000 1.181 426 A CA 2.076 53.826 52.037 -0.478 0.000 0.623 426 A CB -0.961 17.580 19.000 -0.766 0.000 0.818 426 A HN 1.051 nan 8.150 nan 0.000 0.443 427 A N -0.500 122.040 122.820 -0.467 0.000 1.898 427 A HA 0.007 4.327 4.320 0.002 0.000 0.216 427 A C 2.128 179.535 177.584 -0.295 0.000 1.181 427 A CA 1.678 53.495 52.037 -0.366 0.000 0.620 427 A CB -0.610 18.177 19.000 -0.356 0.000 0.819 427 A HN 0.699 nan 8.150 nan 0.000 0.442 428 L N -0.566 120.431 121.223 -0.377 0.000 1.970 428 L HA -0.141 4.200 4.340 0.002 0.000 0.212 428 L C 2.279 179.124 176.870 -0.042 0.000 1.071 428 L CA 2.301 57.041 54.840 -0.167 0.000 0.751 428 L CB -0.724 41.249 42.059 -0.144 0.000 0.889 428 L HN 0.347 nan 8.230 nan 0.000 0.432 429 L N -0.622 120.586 121.223 -0.025 0.000 2.013 429 L HA -0.203 4.138 4.340 0.002 0.000 0.212 429 L C 2.137 178.964 176.870 -0.071 0.000 1.073 429 L CA 1.983 56.828 54.840 0.008 0.000 0.753 429 L CB -0.559 41.533 42.059 0.055 0.000 0.890 429 L HN 0.339 nan 8.230 nan 0.000 0.432 430 L N -1.132 120.020 121.223 -0.118 0.000 2.558 430 L HA 0.021 4.362 4.340 0.002 0.000 0.225 430 L C 1.760 178.571 176.870 -0.097 0.000 1.128 430 L CA 0.886 55.659 54.840 -0.111 0.000 0.868 430 L CB -0.670 41.297 42.059 -0.153 0.000 1.006 430 L HN 0.478 nan 8.230 nan 0.000 0.454 431 T N -3.676 110.821 114.554 -0.095 0.000 3.040 431 T HA 0.236 4.586 4.350 0.002 0.000 0.250 431 T C 0.724 175.386 174.700 -0.064 0.000 1.058 431 T CA -0.233 61.824 62.100 -0.072 0.000 0.988 431 T CB 0.039 68.867 68.868 -0.066 0.000 0.993 431 T HN -0.008 nan 8.240 nan 0.000 0.519 432 L N 3.006 124.183 121.223 -0.077 0.000 2.452 432 L HA 0.381 4.722 4.340 0.002 0.000 0.267 432 L C -1.568 175.224 176.870 -0.129 0.000 1.188 432 L CA -2.106 52.674 54.840 -0.100 0.000 0.821 432 L CB 0.385 42.365 42.059 -0.132 0.000 1.102 432 L HN 0.118 nan 8.230 nan 0.000 0.470 436 P HA 0.722 nan 4.420 nan 0.000 0.282 436 P C -1.096 176.240 177.300 0.061 0.000 1.259 436 P CA -0.861 62.233 63.100 -0.009 0.000 0.826 436 P CB 1.505 33.193 31.700 -0.021 0.000 1.064 437 L N 1.813 123.058 121.223 0.037 0.000 2.408 437 L HA 0.535 4.876 4.340 0.002 0.000 0.268 437 L C -1.400 175.488 176.870 0.031 0.000 0.986 437 L CA -0.822 54.048 54.840 0.049 0.000 0.820 437 L CB 1.393 43.347 42.059 -0.175 0.000 1.303 437 L HN 0.191 nan 8.230 nan 0.000 0.411 438 L N 3.536 124.794 121.223 0.057 0.000 2.330 438 L HA 0.530 4.871 4.340 0.002 0.000 0.271 438 L C -0.999 175.791 176.870 -0.133 0.000 1.013 438 L CA -0.621 54.228 54.840 0.015 0.000 0.816 438 L CB 1.874 43.978 42.059 0.075 0.000 1.287 438 L HN 0.494 nan 8.230 nan 0.000 0.435 439 F N 1.658 121.424 119.950 -0.307 0.000 2.422 439 F HA 0.316 4.844 4.527 0.002 0.000 0.333 439 F C 0.234 175.681 175.800 -0.587 0.000 1.095 439 F CA -0.830 56.926 58.000 -0.407 0.000 1.038 439 F CB 1.314 40.149 39.000 -0.274 0.000 1.156 439 F HN 0.544 nan 8.300 nan 0.000 0.483 440 Q N 3.687 122.607 119.800 -1.465 0.000 2.304 440 Q HA 0.294 4.635 4.340 0.002 0.000 0.315 440 Q C 0.826 176.404 176.000 -0.704 0.000 1.075 440 Q CA 0.670 55.874 55.803 -0.998 0.000 0.988 440 Q CB 0.006 28.427 28.738 -0.527 0.000 1.146 440 Q HN 1.194 nan 8.270 nan 0.000 0.383 441 G N 2.347 110.716 108.800 -0.718 0.000 2.253 441 G HA2 -0.447 3.514 3.960 0.002 0.000 0.251 441 G HA3 -0.447 3.514 3.960 0.002 0.000 0.251 441 G C 0.834 175.157 174.900 -0.962 0.000 0.998 441 G CA 0.577 44.831 45.100 -1.411 0.000 0.621 441 G HN 0.894 nan 8.290 nan 0.000 0.524 442 Q N 0.819 120.337 119.800 -0.470 0.000 2.226 442 Q HA -0.060 4.281 4.340 0.002 0.000 0.204 442 Q C 2.063 177.794 176.000 -0.449 0.000 0.975 442 Q CA 1.897 57.566 55.803 -0.224 0.000 0.866 442 Q CB -0.381 28.345 28.738 -0.019 0.000 0.915 442 Q HN 0.648 nan 8.270 nan 0.000 0.440 443 E N 0.869 120.692 120.200 -0.628 0.000 2.338 443 E HA -0.184 4.166 4.350 0.002 0.000 0.197 443 E C 0.779 177.232 176.600 -0.244 0.000 1.007 443 E CA 1.078 56.910 56.400 -0.946 0.000 0.849 443 E CB -0.279 29.204 29.700 -0.362 0.000 0.774 443 E HN 0.845 nan 8.360 nan 0.000 0.506 444 W N -0.330 120.905 121.300 -0.109 0.000 2.818 444 W HA 0.722 5.383 4.660 0.002 0.000 0.403 444 W C 0.198 176.779 176.519 0.104 0.000 0.991 444 W CA -0.680 56.687 57.345 0.037 0.000 1.925 444 W CB -0.110 29.367 29.460 0.029 0.000 1.166 444 W HN 0.144 nan 8.180 nan 0.000 0.605 445 A N 0.925 123.724 122.820 -0.035 0.000 2.610 445 A HA 0.085 4.406 4.320 0.002 0.000 0.299 445 A C 1.111 178.645 177.584 -0.083 0.000 1.487 445 A CA 0.746 52.532 52.037 -0.418 0.000 0.743 445 A CB -1.895 16.801 19.000 -0.507 0.000 1.070 445 A HN 1.505 nan 8.150 nan 0.000 0.439 446 A N 0.637 123.298 122.820 -0.263 0.000 2.587 446 A HA 0.436 4.757 4.320 0.002 0.000 0.233 446 A C 1.587 179.304 177.584 0.223 0.000 1.049 446 A CA 0.841 52.789 52.037 -0.148 0.000 0.754 446 A CB -0.028 18.701 19.000 -0.453 0.000 0.977 446 A HN 2.082 nan 8.150 nan 0.000 0.509 447 S N 0.827 116.659 115.700 0.220 0.000 2.527 447 S HA 0.057 4.528 4.470 0.002 0.000 0.222 447 S C 0.781 175.453 174.600 0.121 0.000 0.985 447 S CA 0.640 58.979 58.200 0.232 0.000 0.921 447 S CB -0.697 62.635 63.200 0.220 0.000 0.772 447 S HN 1.169 nan 8.310 nan 0.000 0.529 448 T N 1.420 116.032 114.554 0.097 0.000 2.909 448 T HA 0.604 4.955 4.350 0.002 0.000 0.286 448 T C -2.737 172.031 174.700 0.114 0.000 1.002 448 T CA -2.129 60.024 62.100 0.088 0.000 1.074 448 T CB 1.433 70.351 68.868 0.084 0.000 0.984 448 T HN 0.063 nan 8.240 nan 0.000 0.495 449 P HA 0.352 nan 4.420 nan 0.000 0.277 449 P C -1.211 176.265 177.300 0.292 0.000 1.271 449 P CA -0.716 62.475 63.100 0.152 0.000 0.795 449 P CB 0.564 32.328 31.700 0.106 0.000 1.101 450 F N 0.346 120.392 119.950 0.159 0.000 2.532 450 F HA 0.328 4.856 4.527 0.001 0.000 0.365 450 F C 0.038 176.034 175.800 0.327 0.000 1.112 450 F CA -0.435 57.712 58.000 0.245 0.000 1.082 450 F CB 0.940 40.058 39.000 0.196 0.000 1.319 450 F HN 0.175 nan 8.300 nan 0.000 0.457 451 Q N 3.472 123.306 119.800 0.057 0.000 2.193 451 Q HA 0.299 4.639 4.340 0.002 0.000 0.246 451 Q C -1.064 175.116 176.000 0.301 0.000 0.959 451 Q CA -1.066 54.862 55.803 0.209 0.000 0.904 451 Q CB 2.013 30.867 28.738 0.194 0.000 1.238 451 Q HN 0.612 nan 8.270 nan 0.000 0.469 452 F N 3.138 123.161 119.950 0.122 0.000 2.472 452 F HA 0.288 4.816 4.527 0.002 0.000 0.364 452 F C -1.095 174.591 175.800 -0.190 0.000 1.090 452 F CA -0.635 57.162 58.000 -0.339 0.000 1.188 452 F CB 0.015 38.702 39.000 -0.521 0.000 1.105 452 F HN 0.350 nan 8.300 nan 0.000 0.536 453 F N 3.191 122.523 119.950 -1.030 0.000 2.577 453 F HA 0.856 5.384 4.527 0.002 0.000 0.318 453 F C -0.867 174.378 175.800 -0.925 0.000 1.065 453 F CA -0.876 56.705 58.000 -0.698 0.000 0.929 453 F CB 1.235 40.136 39.000 -0.165 0.000 1.237 453 F HN 0.439 nan 8.300 nan 0.000 0.468 454 S N -0.005 115.483 115.700 -0.354 0.000 2.688 454 S HA 0.615 5.086 4.470 0.002 0.000 0.275 454 S C -1.619 172.913 174.600 -0.114 0.000 1.175 454 S CA -0.627 57.400 58.200 -0.289 0.000 0.818 454 S CB 1.942 64.976 63.200 -0.277 0.000 1.157 454 S HN 0.825 nan 8.310 nan 0.000 0.482 455 D N -0.322 119.977 120.400 -0.168 0.000 3.216 455 D HA 0.239 4.880 4.640 0.002 0.000 0.348 455 D C -0.858 175.386 176.300 -0.093 0.000 1.407 455 D CA -0.179 53.772 54.000 -0.081 0.000 0.744 455 D CB -0.120 40.654 40.800 -0.044 0.000 1.264 455 D HN 0.541 nan 8.370 nan 0.000 0.543 456 H N 0.221 119.315 119.070 0.040 0.000 2.679 456 H HA 0.557 5.114 4.556 0.002 0.000 0.369 456 H C 0.440 175.790 175.328 0.038 0.000 1.178 456 H CA 0.126 56.195 56.048 0.035 0.000 1.419 456 H CB 1.257 31.022 29.762 0.005 0.000 1.458 456 H HN 0.288 nan 8.280 nan 0.000 0.605 457 A N 1.353 124.294 122.820 0.202 0.000 2.286 457 A HA 0.508 4.829 4.320 0.002 0.000 0.286 457 A C 1.133 178.765 177.584 0.080 0.000 1.097 457 A CA 0.317 52.422 52.037 0.113 0.000 0.821 457 A CB -0.054 19.004 19.000 0.096 0.000 1.076 457 A HN 0.918 nan 8.150 nan 0.000 0.490 458 G N 0.781 109.612 108.800 0.052 0.000 2.634 458 G HA2 -0.351 3.609 3.960 0.002 0.000 0.309 458 G HA3 -0.351 3.609 3.960 0.002 0.000 0.309 458 G C 0.751 175.671 174.900 0.034 0.000 1.265 458 G CA 1.031 46.150 45.100 0.032 0.000 0.998 458 G HN 0.852 nan 8.290 nan 0.000 0.551 459 E N -0.342 119.870 120.200 0.019 0.000 2.150 459 E HA -0.015 4.335 4.350 0.002 0.000 0.193 459 E C 2.613 179.228 176.600 0.026 0.000 0.985 459 E CA 1.110 57.521 56.400 0.019 0.000 0.814 459 E CB -0.115 29.590 29.700 0.007 0.000 0.752 459 E HN 0.378 nan 8.360 nan 0.000 0.466 460 L N 0.514 121.746 121.223 0.015 0.000 2.046 460 L HA -0.061 4.280 4.340 0.002 0.000 0.208 460 L C 2.139 179.042 176.870 0.056 0.000 1.077 460 L CA 2.222 57.061 54.840 -0.001 0.000 0.747 460 L CB -0.919 41.081 42.059 -0.098 0.000 0.896 460 L HN 0.103 nan 8.230 nan 0.000 0.432 461 G N -1.351 107.508 108.800 0.099 0.000 2.446 461 G HA2 -0.303 3.658 3.960 0.002 0.000 0.217 461 G HA3 -0.303 3.658 3.960 0.002 0.000 0.217 461 G C 1.459 176.420 174.900 0.101 0.000 1.168 461 G CA 0.855 46.035 45.100 0.134 0.000 0.771 461 G HN 0.564 nan 8.290 nan 0.000 0.551 462 Q N 0.140 119.984 119.800 0.073 0.000 2.170 462 Q HA 0.045 4.386 4.340 0.002 0.000 0.203 462 Q C 2.957 178.995 176.000 0.062 0.000 0.976 462 Q CA 1.158 56.997 55.803 0.060 0.000 0.858 462 Q CB -0.226 28.537 28.738 0.043 0.000 0.907 462 Q HN 0.498 nan 8.270 nan 0.000 0.433 463 A N 0.218 123.077 122.820 0.065 0.000 1.930 463 A HA -0.108 4.213 4.320 0.002 0.000 0.217 463 A C 2.311 179.948 177.584 0.088 0.000 1.175 463 A CA 1.056 53.131 52.037 0.064 0.000 0.627 463 A CB -0.562 18.477 19.000 0.064 0.000 0.815 463 A HN 0.199 nan 8.150 nan 0.000 0.443 464 V N -0.030 119.964 119.914 0.132 0.000 2.295 464 V HA -0.241 3.880 4.120 0.002 0.000 0.246 464 V C 2.816 178.995 176.094 0.141 0.000 1.049 464 V CA 2.394 64.802 62.300 0.179 0.000 1.024 464 V CB -0.888 31.093 31.823 0.263 0.000 0.648 464 V HN 0.560 nan 8.190 nan 0.000 0.447 465 S N -0.506 115.265 115.700 0.119 0.000 2.353 465 S HA -0.263 4.208 4.470 0.002 0.000 0.222 465 S C 2.038 176.687 174.600 0.081 0.000 1.035 465 S CA 1.848 60.109 58.200 0.103 0.000 1.025 465 S CB -0.343 62.908 63.200 0.084 0.000 0.902 465 S HN 0.667 nan 8.310 nan 0.000 0.440 466 E N 1.152 121.388 120.200 0.061 0.000 2.085 466 E HA -0.084 4.267 4.350 0.002 0.000 0.194 466 E C 2.088 178.701 176.600 0.021 0.000 0.994 466 E CA 1.462 57.885 56.400 0.038 0.000 0.801 466 E CB -0.924 28.792 29.700 0.027 0.000 0.743 466 E HN 0.424 nan 8.360 nan 0.000 0.453 467 G N 0.011 108.822 108.800 0.018 0.000 2.442 467 G HA2 -0.340 3.621 3.960 0.002 0.000 0.219 467 G HA3 -0.340 3.621 3.960 0.002 0.000 0.219 467 G C 1.819 176.694 174.900 -0.041 0.000 1.141 467 G CA 0.998 46.082 45.100 -0.026 0.000 0.763 467 G HN 0.204 nan 8.290 nan 0.000 0.554 468 R N 0.594 121.111 120.500 0.029 0.000 2.073 468 R HA 0.094 4.435 4.340 0.002 0.000 0.229 468 R C 2.407 178.777 176.300 0.116 0.000 1.120 468 R CA 1.682 57.829 56.100 0.078 0.000 0.967 468 R CB -0.415 29.996 30.300 0.184 0.000 0.862 468 R HN 0.384 nan 8.270 nan 0.000 0.436 469 K N 0.382 120.838 120.400 0.094 0.000 2.002 469 K HA -0.160 4.161 4.320 0.002 0.000 0.209 469 K C 1.738 178.371 176.600 0.054 0.000 1.048 469 K CA 1.848 58.192 56.287 0.095 0.000 0.930 469 K CB -0.011 32.528 32.500 0.066 0.000 0.714 469 K HN 0.062 nan 8.250 nan 0.000 0.438 470 K N 0.541 120.939 120.400 -0.002 0.000 2.057 470 K HA -0.206 4.115 4.320 0.002 0.000 0.207 470 K C 2.156 178.694 176.600 -0.104 0.000 1.049 470 K CA 1.718 57.980 56.287 -0.042 0.000 0.931 470 K CB -0.117 32.351 32.500 -0.053 0.000 0.714 470 K HN 0.344 nan 8.250 nan 0.000 0.440 471 E N 0.244 120.321 120.200 -0.205 0.000 2.130 471 E HA -0.165 4.186 4.350 0.002 0.000 0.196 471 E C -0.034 176.247 176.600 -0.532 0.000 0.998 471 E CA 0.997 57.132 56.400 -0.442 0.000 0.806 471 E CB 0.097 29.386 29.700 -0.685 0.000 0.738 471 E HN 0.097 nan 8.360 nan 0.000 0.459 483 V N 2.561 122.490 119.914 0.024 0.000 2.521 483 V HA 0.239 4.360 4.120 0.002 0.000 0.286 483 V C -1.609 174.515 176.094 0.051 0.000 1.034 483 V CA -0.698 61.615 62.300 0.022 0.000 1.045 483 V CB 0.436 32.305 31.823 0.077 0.000 0.974 483 V HN 0.424 nan 8.190 nan 0.000 0.480 484 P HA 0.086 nan 4.420 nan 0.000 0.271 484 P C -0.618 176.740 177.300 0.096 0.000 1.216 484 P CA -0.288 62.853 63.100 0.068 0.000 0.771 484 P CB 0.584 32.328 31.700 0.072 0.000 0.864 485 D N 4.738 125.191 120.400 0.088 0.000 2.358 485 D HA 0.031 4.672 4.640 0.002 0.000 0.258 485 D C -1.269 175.092 176.300 0.101 0.000 1.223 485 D CA -2.100 51.958 54.000 0.096 0.000 0.886 485 D CB 0.680 41.527 40.800 0.077 0.000 1.120 485 D HN 0.161 nan 8.370 nan 0.000 0.482 486 P HA -0.144 nan 4.420 nan 0.000 0.221 486 P C 0.921 178.238 177.300 0.029 0.000 1.145 486 P CA 0.944 64.077 63.100 0.054 0.000 0.795 486 P CB 0.376 32.116 31.700 0.067 0.000 0.775 487 Q N -0.748 119.088 119.800 0.059 0.000 2.432 487 Q HA 0.144 4.485 4.340 0.002 0.000 0.205 487 Q C 0.933 176.967 176.000 0.058 0.000 0.945 487 Q CA 0.133 55.967 55.803 0.052 0.000 0.924 487 Q CB -0.086 28.692 28.738 0.067 0.000 1.016 487 Q HN 0.157 nan 8.270 nan 0.000 0.503 488 A N 1.201 124.062 122.820 0.070 0.000 2.450 488 A HA 0.050 4.371 4.320 0.002 0.000 0.255 488 A C 0.884 178.518 177.584 0.085 0.000 1.096 488 A CA -0.147 51.932 52.037 0.070 0.000 0.778 488 A CB 0.328 19.369 19.000 0.068 0.000 1.031 488 A HN 0.198 nan 8.150 nan 0.000 0.494 489 E N 1.081 121.331 120.200 0.082 0.000 2.147 489 E HA -0.298 4.053 4.350 0.002 0.000 0.199 489 E C 1.769 178.444 176.600 0.126 0.000 1.005 489 E CA 1.817 58.288 56.400 0.118 0.000 0.810 489 E CB 0.030 29.792 29.700 0.104 0.000 0.736 489 E HN 0.842 nan 8.360 nan 0.000 0.460 490 Q N 0.208 120.057 119.800 0.082 0.000 2.135 490 Q HA -0.136 4.205 4.340 0.002 0.000 0.204 490 Q C 1.945 177.976 176.000 0.051 0.000 0.981 490 Q CA 1.934 57.771 55.803 0.055 0.000 0.856 490 Q CB -0.317 28.448 28.738 0.046 0.000 0.902 490 Q HN 0.174 nan 8.270 nan 0.000 0.425 491 T N 0.172 114.775 114.554 0.082 0.000 2.788 491 T HA -0.117 4.233 4.350 0.002 0.000 0.268 491 T C 1.245 175.986 174.700 0.068 0.000 1.044 491 T CA 1.208 63.368 62.100 0.101 0.000 1.139 491 T CB -0.462 68.490 68.868 0.141 0.000 0.867 491 T HN 0.392 nan 8.240 nan 0.000 0.454 492 F N 1.872 121.696 119.950 -0.210 0.000 2.113 492 F HA 0.065 4.593 4.527 0.002 0.000 0.297 492 F C 1.861 177.466 175.800 -0.325 0.000 1.103 492 F CA 0.983 58.608 58.000 -0.625 0.000 1.248 492 F CB -0.623 38.030 39.000 -0.579 0.000 0.999 492 F HN 0.032 nan 8.300 nan 0.000 0.475 493 L N 0.248 121.295 121.223 -0.294 0.000 2.083 493 L HA -0.240 4.100 4.340 0.002 0.000 0.209 493 L C 2.258 179.010 176.870 -0.196 0.000 1.083 493 L CA 1.067 55.711 54.840 -0.327 0.000 0.752 493 L CB -0.992 40.995 42.059 -0.121 0.000 0.899 493 L HN 0.168 nan 8.230 nan 0.000 0.433 494 N N 0.053 118.696 118.700 -0.095 0.000 2.060 494 N HA -0.190 4.551 4.740 0.002 0.000 0.195 494 N C 1.858 177.359 175.510 -0.015 0.000 1.028 494 N CA 1.815 54.848 53.050 -0.027 0.000 0.861 494 N CB -0.346 38.152 38.487 0.019 0.000 1.029 494 N HN 0.174 nan 8.380 nan 0.000 0.428 495 S N 0.288 115.961 115.700 -0.044 0.000 2.607 495 S HA 0.053 4.524 4.470 0.002 0.000 0.224 495 S C 0.456 175.113 174.600 0.094 0.000 0.969 495 S CA 0.235 58.482 58.200 0.078 0.000 0.927 495 S CB 0.229 63.487 63.200 0.097 0.000 0.772 495 S HN 0.198 nan 8.310 nan 0.000 0.533 496 K N 2.013 122.374 120.400 -0.066 0.000 2.401 496 K HA 0.169 4.490 4.320 0.002 0.000 0.278 496 K C -0.029 176.596 176.600 0.042 0.000 1.018 496 K CA -0.022 56.245 56.287 -0.032 0.000 0.981 496 K CB 0.489 32.913 32.500 -0.126 0.000 0.933 496 K HN 0.272 nan 8.250 nan 0.000 0.477 497 L N 2.752 124.016 121.223 0.067 0.000 2.490 497 L HA -0.033 4.308 4.340 0.002 0.000 0.274 497 L C 0.969 177.804 176.870 -0.058 0.000 1.201 497 L CA -0.040 54.770 54.840 -0.051 0.000 0.869 497 L CB -0.062 41.837 42.059 -0.265 0.000 1.123 497 L HN 0.497 nan 8.230 nan 0.000 0.484 498 N N 2.496 121.167 118.700 -0.048 0.000 2.589 498 N HA 0.055 4.795 4.740 0.002 0.000 0.232 498 N C 0.323 175.711 175.510 -0.202 0.000 1.015 498 N CA -0.272 52.749 53.050 -0.048 0.000 0.931 498 N CB 0.568 39.042 38.487 -0.021 0.000 1.150 498 N HN 0.467 nan 8.380 nan 0.000 0.512 499 W N 2.834 124.029 121.300 -0.175 0.000 2.402 499 W HA 0.016 4.677 4.660 0.001 0.000 0.286 499 W C 2.130 178.330 176.519 -0.531 0.000 1.221 499 W CA 1.095 58.188 57.345 -0.422 0.000 1.257 499 W CB -0.041 29.212 29.460 -0.345 0.000 1.120 499 W HN 0.717 nan 8.180 nan 0.000 0.551 500 A N 0.801 123.536 122.820 -0.141 0.000 1.968 500 A HA -0.206 4.115 4.320 0.002 0.000 0.217 500 A C 1.874 179.313 177.584 -0.242 0.000 1.169 500 A CA 1.671 53.613 52.037 -0.158 0.000 0.638 500 A CB -0.887 18.066 19.000 -0.079 0.000 0.812 500 A HN 0.523 nan 8.150 nan 0.000 0.446 501 E N 0.868 120.877 120.200 -0.319 0.000 2.268 501 E HA -0.254 4.097 4.350 0.002 0.000 0.195 501 E C 1.853 178.213 176.600 -0.400 0.000 0.995 501 E CA 1.016 57.233 56.400 -0.306 0.000 0.836 501 E CB -0.497 28.978 29.700 -0.374 0.000 0.763 501 E HN 0.775 nan 8.360 nan 0.000 0.491 502 R N 1.242 121.291 120.500 -0.751 0.000 2.285 502 R HA -0.082 4.259 4.340 0.002 0.000 0.213 502 R C 1.206 177.375 176.300 -0.218 0.000 1.068 502 R CA 1.384 57.079 56.100 -0.676 0.000 1.004 502 R CB -0.216 29.332 30.300 -1.253 0.000 0.873 502 R HN 0.254 nan 8.270 nan 0.000 0.467 503 E N 0.731 120.825 120.200 -0.175 0.000 2.427 503 E HA 0.074 4.425 4.350 0.002 0.000 0.196 503 E C 0.491 177.091 176.600 -0.000 0.000 1.028 503 E CA 0.496 56.856 56.400 -0.066 0.000 0.864 503 E CB 0.510 30.168 29.700 -0.071 0.000 0.813 503 E HN 0.528 nan 8.360 nan 0.000 0.514 504 G N -0.445 108.375 108.800 0.034 0.000 2.605 504 G HA2 0.515 4.476 3.960 0.002 0.000 0.296 504 G HA3 0.515 4.476 3.960 0.002 0.000 0.296 504 G C 0.216 175.181 174.900 0.107 0.000 1.304 504 G CA -0.271 44.870 45.100 0.069 0.000 0.941 504 G HN 0.162 nan 8.290 nan 0.000 0.475 505 G N 0.375 109.216 108.800 0.069 0.000 2.582 505 G HA2 -0.277 3.684 3.960 0.002 0.000 0.288 505 G HA3 -0.277 3.684 3.960 0.002 0.000 0.288 505 G C 0.924 175.844 174.900 0.032 0.000 1.247 505 G CA 0.637 45.761 45.100 0.041 0.000 0.972 505 G HN 0.684 nan 8.290 nan 0.000 0.557 506 E N 0.460 120.635 120.200 -0.043 0.000 2.347 506 E HA -0.054 4.297 4.350 0.002 0.000 0.196 506 E C 2.085 178.683 176.600 -0.003 0.000 1.008 506 E CA 1.145 57.525 56.400 -0.035 0.000 0.852 506 E CB -0.266 29.386 29.700 -0.081 0.000 0.783 506 E HN 0.650 nan 8.360 nan 0.000 0.505 507 H N 0.511 119.655 119.070 0.124 0.000 2.326 507 H HA 0.004 4.560 4.556 0.001 0.000 0.301 507 H C 2.055 177.486 175.328 0.170 0.000 1.081 507 H CA 1.416 57.572 56.048 0.181 0.000 1.334 507 H CB -0.268 29.596 29.762 0.169 0.000 1.385 507 H HN 0.174 nan 8.280 nan 0.000 0.504 508 A N 1.187 124.140 122.820 0.223 0.000 1.933 508 A HA -0.175 4.146 4.320 0.002 0.000 0.218 508 A C 2.518 180.199 177.584 0.161 0.000 1.175 508 A CA 1.468 53.600 52.037 0.159 0.000 0.628 508 A CB -0.494 18.566 19.000 0.100 0.000 0.814 508 A HN 0.268 nan 8.150 nan 0.000 0.444 509 R N -0.970 119.615 120.500 0.142 0.000 2.096 509 R HA -0.102 4.239 4.340 0.002 0.000 0.235 509 R C 2.168 178.574 176.300 0.176 0.000 1.127 509 R CA 1.898 58.078 56.100 0.133 0.000 0.968 509 R CB -0.416 29.949 30.300 0.109 0.000 0.861 509 R HN 0.538 nan 8.270 nan 0.000 0.440 510 T N 1.277 115.964 114.554 0.222 0.000 2.777 510 T HA -0.132 4.219 4.350 0.002 0.000 0.266 510 T C 1.556 176.478 174.700 0.370 0.000 1.040 510 T CA 0.988 63.272 62.100 0.306 0.000 1.141 510 T CB -0.180 68.885 68.868 0.329 0.000 0.868 510 T HN 0.099 nan 8.240 nan 0.000 0.444 511 L N 1.596 123.015 121.223 0.326 0.000 2.046 511 L HA 0.048 4.389 4.340 0.002 0.000 0.208 511 L C 2.481 179.516 176.870 0.275 0.000 1.077 511 L CA 1.704 56.742 54.840 0.331 0.000 0.747 511 L CB -0.666 41.587 42.059 0.323 0.000 0.896 511 L HN 0.087 nan 8.230 nan 0.000 0.432 512 R N -0.931 119.693 120.500 0.208 0.000 2.091 512 R HA -0.213 4.128 4.340 0.002 0.000 0.238 512 R C 2.283 178.667 176.300 0.140 0.000 1.136 512 R CA 2.007 58.197 56.100 0.150 0.000 0.959 512 R CB -0.480 29.888 30.300 0.114 0.000 0.856 512 R HN 0.420 nan 8.270 nan 0.000 0.437 513 L N -0.030 121.287 121.223 0.156 0.000 2.027 513 L HA -0.145 4.196 4.340 0.002 0.000 0.206 513 L C 1.755 178.658 176.870 0.054 0.000 1.074 513 L CA 1.721 56.612 54.840 0.085 0.000 0.745 513 L CB -0.718 41.377 42.059 0.061 0.000 0.898 513 L HN 0.168 nan 8.230 nan 0.000 0.433 514 Y N 0.254 120.587 120.300 0.055 0.000 2.128 514 Y HA -0.259 4.292 4.550 0.001 0.000 0.284 514 Y C 2.783 178.706 175.900 0.038 0.000 1.154 514 Y CA 2.002 60.131 58.100 0.048 0.000 1.149 514 Y CB -0.384 38.132 38.460 0.093 0.000 0.976 514 Y HN 0.166 nan 8.280 nan 0.000 0.505 515 R N -0.175 120.444 120.500 0.199 0.000 2.091 515 R HA -0.180 4.161 4.340 0.002 0.000 0.238 515 R C 1.679 178.012 176.300 0.056 0.000 1.136 515 R CA 1.656 57.820 56.100 0.106 0.000 0.959 515 R CB -0.388 29.970 30.300 0.097 0.000 0.856 515 R HN 0.359 nan 8.270 nan 0.000 0.437 516 D N 0.652 121.079 120.400 0.044 0.000 2.117 516 D HA -0.101 4.540 4.640 0.002 0.000 0.198 516 D C 2.034 178.324 176.300 -0.017 0.000 0.982 516 D CA 0.959 54.967 54.000 0.013 0.000 0.828 516 D CB -0.170 40.636 40.800 0.011 0.000 0.967 516 D HN 0.142 nan 8.370 nan 0.000 0.464 517 L N 0.217 121.409 121.223 -0.052 0.000 2.046 517 L HA -0.144 4.197 4.340 0.002 0.000 0.208 517 L C 2.504 179.343 176.870 -0.053 0.000 1.077 517 L CA 0.760 55.544 54.840 -0.092 0.000 0.747 517 L CB -0.330 41.609 42.059 -0.200 0.000 0.896 517 L HN 0.034 nan 8.230 nan 0.000 0.432 518 L N -0.784 120.429 121.223 -0.018 0.000 2.156 518 L HA -0.163 4.178 4.340 0.002 0.000 0.208 518 L C 2.776 179.650 176.870 0.006 0.000 1.095 518 L CA 0.877 55.720 54.840 0.004 0.000 0.770 518 L CB -0.459 41.623 42.059 0.038 0.000 0.914 518 L HN 0.238 nan 8.230 nan 0.000 0.439 519 R N 0.466 120.971 120.500 0.008 0.000 2.066 519 R HA -0.196 4.145 4.340 0.002 0.000 0.232 519 R C 2.349 178.654 176.300 0.008 0.000 1.131 519 R CA 1.394 57.501 56.100 0.012 0.000 0.955 519 R CB -0.276 30.031 30.300 0.013 0.000 0.851 519 R HN 0.175 nan 8.270 nan 0.000 0.432 520 L N 1.476 122.695 121.223 -0.007 0.000 2.042 520 L HA -0.188 4.153 4.340 0.002 0.000 0.210 520 L C 2.585 179.447 176.870 -0.013 0.000 1.076 520 L CA 1.887 56.716 54.840 -0.019 0.000 0.749 520 L CB -0.509 41.528 42.059 -0.036 0.000 0.893 520 L HN 0.169 nan 8.230 nan 0.000 0.432 521 R N -0.822 119.674 120.500 -0.007 0.000 2.081 521 R HA -0.205 4.136 4.340 0.002 0.000 0.235 521 R C 2.571 178.919 176.300 0.079 0.000 1.131 521 R CA 1.748 57.856 56.100 0.014 0.000 0.960 521 R CB -0.262 30.034 30.300 -0.008 0.000 0.856 521 R HN 0.349 nan 8.270 nan 0.000 0.436 522 R N 0.213 120.753 120.500 0.067 0.000 2.075 522 R HA -0.102 4.239 4.340 0.002 0.000 0.232 522 R C 1.419 177.855 176.300 0.228 0.000 1.126 522 R CA 1.848 58.008 56.100 0.100 0.000 0.963 522 R CB 0.109 30.437 30.300 0.046 0.000 0.858 522 R HN 0.353 nan 8.270 nan 0.000 0.435 523 E N -0.287 119.991 120.200 0.131 0.000 2.307 523 E HA -0.027 4.324 4.350 0.002 0.000 0.195 523 E C -0.202 176.370 176.600 -0.047 0.000 0.975 523 E CA -0.169 56.288 56.400 0.095 0.000 0.878 523 E CB 0.247 29.967 29.700 0.034 0.000 0.845 523 E HN 0.254 nan 8.360 nan 0.000 0.488 524 D N 2.120 122.436 120.400 -0.142 0.000 2.343 524 D HA -0.002 4.639 4.640 0.002 0.000 0.255 524 D C -1.550 174.383 176.300 -0.611 0.000 1.187 524 D CA -1.793 52.055 54.000 -0.253 0.000 0.875 524 D CB 1.448 42.156 40.800 -0.155 0.000 1.136 524 D HN -0.074 nan 8.370 nan 0.000 0.469 525 P HA -0.107 nan 4.420 nan 0.000 0.221 525 P C 1.477 178.560 177.300 -0.362 0.000 1.150 525 P CA 0.386 63.145 63.100 -0.570 0.000 0.800 525 P CB 0.529 32.103 31.700 -0.210 0.000 0.787 526 V N 0.190 119.963 119.914 -0.236 0.000 2.535 526 V HA -0.097 4.024 4.120 0.002 0.000 0.246 526 V C 2.637 178.665 176.094 -0.109 0.000 1.045 526 V CA 1.080 63.300 62.300 -0.132 0.000 1.058 526 V CB -1.022 30.744 31.823 -0.096 0.000 0.689 526 V HN 0.008 nan 8.190 nan 0.000 0.461 527 L N -0.403 120.736 121.223 -0.139 0.000 2.456 527 L HA -0.137 4.204 4.340 0.002 0.000 0.224 527 L C 2.252 179.135 176.870 0.021 0.000 1.148 527 L CA 1.197 55.997 54.840 -0.068 0.000 0.825 527 L CB -0.821 41.200 42.059 -0.064 0.000 0.937 527 L HN 0.506 nan 8.230 nan 0.000 0.450 528 H N -0.825 118.219 119.070 -0.043 0.000 2.518 528 H HA -0.094 4.463 4.556 0.001 0.000 0.289 528 H C 1.041 176.340 175.328 -0.048 0.000 1.051 528 H CA -0.356 55.666 56.048 -0.044 0.000 1.280 528 H CB -0.042 29.697 29.762 -0.038 0.000 1.380 528 H HN 0.318 nan 8.280 nan 0.000 0.566 529 N N 1.366 120.102 118.700 0.061 0.000 2.293 529 N HA -0.130 4.611 4.740 0.002 0.000 0.253 529 N C 0.288 175.792 175.510 -0.010 0.000 1.248 529 N CA 0.382 53.438 53.050 0.010 0.000 0.845 529 N CB 0.525 39.000 38.487 -0.019 0.000 1.073 529 N HN 0.108 nan 8.380 nan 0.000 0.464 530 R N 2.020 122.507 120.500 -0.021 0.000 2.642 530 R HA 0.165 4.506 4.340 0.002 0.000 0.435 530 R C -0.627 175.650 176.300 -0.039 0.000 1.046 530 R CA -0.151 55.926 56.100 -0.038 0.000 1.103 530 R CB 0.154 30.431 30.300 -0.038 0.000 1.425 530 R HN 0.692 nan 8.270 nan 0.000 0.586 531 Q N 0.044 119.822 119.800 -0.038 0.000 2.331 531 Q HA 0.400 4.741 4.340 0.002 0.000 0.267 531 Q C 0.647 176.619 176.000 -0.046 0.000 1.006 531 Q CA -0.414 55.367 55.803 -0.036 0.000 0.818 531 Q CB 2.477 31.197 28.738 -0.029 0.000 1.276 531 Q HN -0.082 nan 8.270 nan 0.000 0.450 532 R N 1.312 121.783 120.500 -0.049 0.000 2.148 532 R HA -0.183 4.158 4.340 0.002 0.000 0.227 532 R C 1.674 177.942 176.300 -0.053 0.000 1.103 532 R CA 1.139 57.199 56.100 -0.067 0.000 0.983 532 R CB 0.188 30.444 30.300 -0.074 0.000 0.874 532 R HN 0.720 nan 8.270 nan 0.000 0.451 533 E N 0.931 121.108 120.200 -0.039 0.000 2.171 533 E HA -0.210 4.141 4.350 0.002 0.000 0.197 533 E C 0.748 177.330 176.600 -0.030 0.000 0.997 533 E CA 1.228 57.610 56.400 -0.030 0.000 0.810 533 E CB 0.107 29.793 29.700 -0.024 0.000 0.738 533 E HN 0.257 nan 8.360 nan 0.000 0.467 534 N N 0.039 118.718 118.700 -0.035 0.000 2.230 534 N HA 0.085 4.826 4.740 0.002 0.000 0.202 534 N C -0.765 174.722 175.510 -0.037 0.000 1.119 534 N CA 0.028 53.057 53.050 -0.036 0.000 0.851 534 N CB 0.612 39.077 38.487 -0.037 0.000 0.990 534 N HN 0.113 nan 8.380 nan 0.000 0.497 535 L N 1.126 122.328 121.223 -0.035 0.000 2.333 535 L HA 0.468 4.809 4.340 0.002 0.000 0.280 535 L C -0.178 176.687 176.870 -0.008 0.000 1.004 535 L CA -0.262 54.561 54.840 -0.028 0.000 0.820 535 L CB 1.440 43.465 42.059 -0.057 0.000 1.247 535 L HN 0.025 nan 8.230 nan 0.000 0.416 536 T N 0.279 114.862 114.554 0.047 0.000 2.906 536 T HA 0.913 5.264 4.350 0.002 0.000 0.295 536 T C -0.264 174.468 174.700 0.053 0.000 1.075 536 T CA -0.299 61.854 62.100 0.088 0.000 1.005 536 T CB 1.827 70.825 68.868 0.217 0.000 1.136 536 T HN 0.722 nan 8.240 nan 0.000 0.498 537 T N -1.873 112.542 114.554 -0.230 0.000 2.883 537 T HA 0.917 5.268 4.350 0.002 0.000 0.296 537 T C -0.017 173.901 174.700 -1.302 0.000 1.117 537 T CA -0.335 61.352 62.100 -0.689 0.000 1.006 537 T CB 1.676 70.349 68.868 -0.324 0.000 1.191 537 T HN 1.456 nan 8.240 nan 0.000 0.508 538 G N 0.272 107.937 108.800 -1.892 0.000 2.561 538 G HA2 0.690 4.651 3.960 0.002 0.000 0.310 538 G HA3 0.690 4.651 3.960 0.002 0.000 0.310 538 G C -1.636 172.792 174.900 -0.787 0.000 1.292 538 G CA -0.460 43.905 45.100 -1.225 0.000 0.811 538 G HN 1.486 nan 8.290 nan 0.000 0.482 539 H N -1.827 117.069 119.070 -0.290 0.000 3.037 539 H HA 0.742 5.299 4.556 0.002 0.000 0.355 539 H C -2.143 173.288 175.328 0.172 0.000 1.263 539 H CA -0.810 55.215 56.048 -0.037 0.000 1.129 539 H CB 2.733 32.459 29.762 -0.060 0.000 1.861 539 H HN 0.522 nan 8.280 nan 0.000 0.546 540 D N 1.496 121.938 120.400 0.070 0.000 2.402 540 D HA 0.399 5.039 4.640 0.002 0.000 0.252 540 D C 1.042 177.392 176.300 0.083 0.000 1.294 540 D CA 0.885 54.880 54.000 -0.008 0.000 0.948 540 D CB 0.840 41.666 40.800 0.043 0.000 1.202 540 D HN 1.146 nan 8.370 nan 0.000 0.561 541 G N 4.389 113.264 108.800 0.124 0.000 2.591 541 G HA2 -0.317 3.644 3.960 0.002 0.000 0.298 541 G HA3 -0.317 3.644 3.960 0.002 0.000 0.298 541 G C 0.487 175.467 174.900 0.133 0.000 1.195 541 G CA 0.436 45.610 45.100 0.123 0.000 0.989 541 G HN 0.557 nan 8.290 nan 0.000 0.551 542 D N 0.729 121.159 120.400 0.050 0.000 2.325 542 D HA 0.301 4.942 4.640 0.002 0.000 0.225 542 D C 0.587 176.877 176.300 -0.017 0.000 1.096 542 D CA 0.341 54.336 54.000 -0.010 0.000 0.844 542 D CB 0.599 41.365 40.800 -0.056 0.000 0.925 542 D HN 0.274 nan 8.370 nan 0.000 0.513 543 V N 2.070 122.020 119.914 0.059 0.000 2.370 543 V HA 0.174 4.295 4.120 0.002 0.000 0.279 543 V C 0.054 176.237 176.094 0.149 0.000 1.029 543 V CA -0.897 61.457 62.300 0.090 0.000 0.870 543 V CB 1.749 33.647 31.823 0.125 0.000 0.984 543 V HN -0.002 nan 8.190 nan 0.000 0.451 544 L N 7.445 128.746 121.223 0.129 0.000 2.326 544 L HA 0.584 4.924 4.340 0.002 0.000 0.278 544 L C -0.472 176.563 176.870 0.274 0.000 1.092 544 L CA -0.014 54.913 54.840 0.144 0.000 0.810 544 L CB 0.835 42.979 42.059 0.142 0.000 1.153 544 L HN 0.772 nan 8.230 nan 0.000 0.439 545 W N 4.811 126.218 121.300 0.179 0.000 2.844 545 W HA 0.757 5.418 4.660 0.002 0.000 0.340 545 W C -2.056 174.567 176.519 0.174 0.000 1.093 545 W CA -1.165 56.290 57.345 0.183 0.000 1.212 545 W CB 0.997 30.581 29.460 0.208 0.000 1.422 545 W HN 0.319 nan 8.180 nan 0.000 0.515 546 V N 3.852 124.058 119.914 0.486 0.000 2.482 546 V HA 0.430 4.551 4.120 0.002 0.000 0.295 546 V C -0.273 176.018 176.094 0.329 0.000 1.026 546 V CA -0.774 61.708 62.300 0.303 0.000 0.856 546 V CB 1.558 33.473 31.823 0.153 0.000 1.001 546 V HN 0.660 nan 8.190 nan 0.000 0.424 547 R N 2.571 123.270 120.500 0.331 0.000 2.445 547 R HA 0.724 5.065 4.340 0.002 0.000 0.308 547 R C -0.908 175.393 176.300 0.003 0.000 0.961 547 R CA -0.258 55.897 56.100 0.091 0.000 0.862 547 R CB 1.813 32.026 30.300 -0.146 0.000 1.144 547 R HN 0.709 nan 8.270 nan 0.000 0.447 548 T N 3.500 118.025 114.554 -0.048 0.000 2.792 548 T HA 0.402 4.753 4.350 0.002 0.000 0.280 548 T C -1.030 173.616 174.700 -0.089 0.000 0.990 548 T CA -0.483 61.583 62.100 -0.057 0.000 0.960 548 T CB 1.578 70.419 68.868 -0.045 0.000 0.939 548 T HN 0.265 nan 8.240 nan 0.000 0.439 549 V N 4.022 123.885 119.914 -0.085 0.000 2.483 549 V HA 0.749 4.870 4.120 0.002 0.000 0.297 549 V C 0.333 176.391 176.094 -0.060 0.000 1.027 549 V CA -0.757 61.491 62.300 -0.086 0.000 0.855 549 V CB 1.701 33.462 31.823 -0.103 0.000 0.995 549 V HN 1.115 nan 8.190 nan 0.000 0.424 550 T N 0.774 115.296 114.554 -0.053 0.000 2.742 550 T HA 0.553 4.904 4.350 0.002 0.000 0.282 550 T C 1.233 175.911 174.700 -0.036 0.000 1.025 550 T CA 0.105 62.181 62.100 -0.040 0.000 1.020 550 T CB 1.640 70.488 68.868 -0.033 0.000 1.317 550 T HN 0.691 nan 8.240 nan 0.000 0.538 551 G N -0.350 108.434 108.800 -0.028 0.000 2.498 551 G HA2 0.157 4.118 3.960 0.002 0.000 0.219 551 G HA3 0.157 4.118 3.960 0.002 0.000 0.219 551 G C 1.358 176.242 174.900 -0.027 0.000 1.119 551 G CA 0.671 45.757 45.100 -0.025 0.000 0.766 551 G HN 1.155 nan 8.290 nan 0.000 0.552 552 A N -0.799 122.001 122.820 -0.032 0.000 2.218 552 A HA 0.592 4.913 4.320 0.002 0.000 0.209 552 A C 1.313 178.869 177.584 -0.046 0.000 1.168 552 A CA 1.374 53.388 52.037 -0.039 0.000 0.804 552 A CB -0.101 18.870 19.000 -0.048 0.000 0.834 552 A HN 1.517 nan 8.150 nan 0.000 0.482 553 G N -1.224 107.548 108.800 -0.047 0.000 2.340 553 G HA2 0.324 4.285 3.960 0.002 0.000 0.282 553 G HA3 0.324 4.285 3.960 0.002 0.000 0.282 553 G C -1.232 173.631 174.900 -0.060 0.000 1.312 553 G CA -0.139 44.931 45.100 -0.050 0.000 0.942 553 G HN 0.484 nan 8.290 nan 0.000 0.495 554 E N -0.171 119.991 120.200 -0.063 0.000 2.292 554 E HA 0.673 5.024 4.350 0.002 0.000 0.272 554 E C -0.921 175.639 176.600 -0.067 0.000 0.881 554 E CA -0.964 55.388 56.400 -0.081 0.000 0.754 554 E CB 1.485 31.119 29.700 -0.109 0.000 1.201 554 E HN 0.460 nan 8.360 nan 0.000 0.425 555 R N 1.933 122.392 120.500 -0.067 0.000 2.686 555 R HA 0.596 4.936 4.340 0.002 0.000 0.286 555 R C -1.205 175.082 176.300 -0.022 0.000 0.969 555 R CA -0.961 55.116 56.100 -0.038 0.000 0.898 555 R CB 2.050 32.328 30.300 -0.038 0.000 1.183 555 R HN 0.343 nan 8.270 nan 0.000 0.456 556 V N 3.334 123.263 119.914 0.026 0.000 2.577 556 V HA 0.392 4.513 4.120 0.002 0.000 0.303 556 V C -0.604 175.556 176.094 0.110 0.000 1.042 556 V CA -0.938 61.420 62.300 0.097 0.000 0.872 556 V CB 2.287 34.206 31.823 0.162 0.000 0.998 556 V HN 0.542 nan 8.190 nan 0.000 0.423 557 L N 6.002 127.311 121.223 0.144 0.000 2.275 557 L HA 0.618 4.959 4.340 0.002 0.000 0.288 557 L C -0.855 176.141 176.870 0.210 0.000 1.046 557 L CA 0.130 55.043 54.840 0.122 0.000 0.805 557 L CB 0.935 43.044 42.059 0.083 0.000 1.193 557 L HN 0.559 nan 8.230 nan 0.000 0.426 558 L N 5.161 126.489 121.223 0.176 0.000 2.319 558 L HA 0.351 4.692 4.340 0.002 0.000 0.281 558 L C -1.443 175.582 176.870 0.259 0.000 1.005 558 L CA -0.430 54.549 54.840 0.231 0.000 0.828 558 L CB 1.466 43.628 42.059 0.172 0.000 1.227 558 L HN 0.654 nan 8.230 nan 0.000 0.415 559 W N 4.926 126.267 121.300 0.068 0.000 2.411 559 W HA 0.314 4.974 4.660 0.001 0.000 0.317 559 W C -0.243 176.302 176.519 0.044 0.000 1.030 559 W CA -1.335 56.029 57.345 0.031 0.000 1.239 559 W CB 1.302 30.779 29.460 0.028 0.000 1.304 559 W HN 0.345 nan 8.180 nan 0.000 0.437 560 N N 5.633 124.460 118.700 0.211 0.000 2.482 560 N HA 0.048 4.789 4.740 0.002 0.000 0.242 560 N C 0.513 175.899 175.510 -0.206 0.000 1.100 560 N CA 0.047 53.107 53.050 0.017 0.000 0.946 560 N CB 0.617 39.155 38.487 0.085 0.000 1.227 560 N HN 0.382 nan 8.380 nan 0.000 0.508 561 L N 1.754 122.754 121.223 -0.372 0.000 2.478 561 L HA 0.233 4.573 4.340 0.002 0.000 0.223 561 L C 1.516 178.251 176.870 -0.225 0.000 1.140 561 L CA 0.412 54.965 54.840 -0.478 0.000 0.842 561 L CB -1.586 40.147 42.059 -0.543 0.000 0.953 561 L HN 0.492 nan 8.230 nan 0.000 0.452 562 G N -0.913 107.812 108.800 -0.125 0.000 2.611 562 G HA2 0.166 4.127 3.960 0.002 0.000 0.273 562 G HA3 0.166 4.127 3.960 0.002 0.000 0.273 562 G C 0.623 175.503 174.900 -0.034 0.000 1.305 562 G CA -0.233 44.828 45.100 -0.065 0.000 1.010 562 G HN 0.176 nan 8.290 nan 0.000 0.509 563 Q N -0.452 119.338 119.800 -0.017 0.000 2.319 563 Q HA 0.115 4.456 4.340 0.002 0.000 0.209 563 Q C 0.175 176.183 176.000 0.014 0.000 0.884 563 Q CA 0.253 56.054 55.803 -0.003 0.000 0.938 563 Q CB 0.573 29.305 28.738 -0.010 0.000 1.098 563 Q HN 0.784 nan 8.270 nan 0.000 0.517 564 D N -0.582 119.828 120.400 0.017 0.000 2.506 564 D HA 0.251 4.892 4.640 0.002 0.000 0.254 564 D C -0.384 175.940 176.300 0.041 0.000 1.089 564 D CA -0.629 53.386 54.000 0.026 0.000 1.050 564 D CB 0.633 41.444 40.800 0.018 0.000 1.221 564 D HN -0.345 nan 8.370 nan 0.000 0.589 565 T N 0.567 115.148 114.554 0.045 0.000 2.845 565 T HA 0.475 4.826 4.350 0.002 0.000 0.288 565 T C -0.003 174.727 174.700 0.049 0.000 0.980 565 T CA -0.665 61.469 62.100 0.058 0.000 1.071 565 T CB 0.683 69.585 68.868 0.057 0.000 0.941 565 T HN 0.128 nan 8.240 nan 0.000 0.487 566 R N 1.638 122.174 120.500 0.059 0.000 2.513 566 R HA 0.613 4.954 4.340 0.002 0.000 0.301 566 R C -0.575 175.760 176.300 0.057 0.000 0.968 566 R CA -0.714 55.417 56.100 0.051 0.000 0.872 566 R CB 1.837 32.168 30.300 0.051 0.000 1.177 566 R HN 0.734 nan 8.270 nan 0.000 0.444 567 A N 2.627 125.472 122.820 0.042 0.000 2.409 567 A HA 0.223 4.544 4.320 0.002 0.000 0.262 567 A C 1.381 178.985 177.584 0.033 0.000 1.113 567 A CA -0.477 51.584 52.037 0.040 0.000 0.790 567 A CB 0.566 19.581 19.000 0.026 0.000 1.046 567 A HN 0.550 nan 8.150 nan 0.000 0.496 568 V N 2.818 122.756 119.914 0.040 0.000 2.380 568 V HA -0.330 3.790 4.120 0.002 0.000 0.251 568 V C 2.862 178.953 176.094 -0.004 0.000 1.063 568 V CA 2.680 64.996 62.300 0.028 0.000 1.055 568 V CB -1.181 30.666 31.823 0.039 0.000 0.657 568 V HN 1.005 nan 8.190 nan 0.000 0.455 569 A N -0.413 122.405 122.820 -0.004 0.000 2.070 569 A HA -0.193 4.128 4.320 0.002 0.000 0.220 569 A C 1.991 179.555 177.584 -0.033 0.000 1.159 569 A CA 1.627 53.651 52.037 -0.022 0.000 0.656 569 A CB -0.342 18.650 19.000 -0.013 0.000 0.800 569 A HN 0.679 nan 8.150 nan 0.000 0.453 570 E N -0.586 119.602 120.200 -0.021 0.000 2.474 570 E HA 0.176 4.527 4.350 0.002 0.000 0.195 570 E C -0.571 176.010 176.600 -0.032 0.000 1.039 570 E CA -0.347 56.038 56.400 -0.024 0.000 0.881 570 E CB 0.535 30.229 29.700 -0.009 0.000 0.970 570 E HN 0.296 nan 8.360 nan 0.000 0.486 571 V N 2.665 122.555 119.914 -0.040 0.000 2.470 571 V HA 0.022 4.143 4.120 0.002 0.000 0.276 571 V C 0.329 176.358 176.094 -0.108 0.000 1.040 571 V CA -0.095 62.178 62.300 -0.045 0.000 1.008 571 V CB 0.682 32.493 31.823 -0.021 0.000 0.990 571 V HN 0.098 nan 8.190 nan 0.000 0.477 572 K N 6.311 126.654 120.400 -0.095 0.000 2.349 572 K HA 0.500 4.821 4.320 0.002 0.000 0.289 572 K C -0.797 175.671 176.600 -0.220 0.000 1.064 572 K CA 0.019 56.223 56.287 -0.137 0.000 0.947 572 K CB 0.434 32.882 32.500 -0.087 0.000 1.007 572 K HN 0.510 nan 8.250 nan 0.000 0.478 573 L N 4.671 125.655 121.223 -0.398 0.000 2.370 573 L HA 0.373 4.713 4.340 0.002 0.000 0.266 573 L C -1.520 174.972 176.870 -0.630 0.000 1.002 573 L CA -1.938 52.450 54.840 -0.753 0.000 0.818 573 L CB 2.079 43.327 42.059 -1.352 0.000 1.325 573 L HN 0.504 nan 8.230 nan 0.000 0.418 574 P HA 0.080 nan 4.420 nan 0.000 0.255 574 P C -0.750 176.488 177.300 -0.103 0.000 1.301 574 P CA 0.437 63.428 63.100 -0.182 0.000 0.817 574 P CB -0.248 31.483 31.700 0.052 0.000 1.259 575 F N -3.806 116.011 119.950 -0.222 0.000 2.715 575 F HA 0.620 5.148 4.527 0.001 0.000 0.318 575 F C -0.499 175.197 175.800 -0.173 0.000 1.141 575 F CA -1.431 56.461 58.000 -0.180 0.000 0.950 575 F CB 0.165 39.040 39.000 -0.208 0.000 1.374 575 F HN -0.525 nan 8.300 nan 0.000 0.477 576 T N 2.054 116.658 114.554 0.084 0.000 2.794 576 T HA 0.339 4.690 4.350 0.002 0.000 0.296 576 T C -0.335 174.421 174.700 0.094 0.000 0.949 576 T CA -0.322 61.774 62.100 -0.006 0.000 1.101 576 T CB 1.112 69.991 68.868 0.019 0.000 0.905 576 T HN 0.692 nan 8.240 nan 0.000 0.516 577 V N 7.217 127.101 119.914 -0.050 0.000 2.599 577 V HA 0.169 4.290 4.120 0.002 0.000 0.300 577 V C -1.908 174.224 176.094 0.063 0.000 1.034 577 V CA -1.667 60.656 62.300 0.038 0.000 1.115 577 V CB 0.564 32.352 31.823 -0.058 0.000 0.934 577 V HN 0.720 nan 8.190 nan 0.000 0.485 578 P HA 0.169 nan 4.420 nan 0.000 0.267 578 P C 0.057 177.373 177.300 0.027 0.000 1.200 578 P CA 0.175 63.300 63.100 0.041 0.000 0.772 578 P CB 0.379 32.098 31.700 0.032 0.000 0.855 579 R N 0.826 121.335 120.500 0.016 0.000 2.237 579 R HA 0.105 4.445 4.340 0.002 0.000 0.195 579 R C 1.031 177.340 176.300 0.014 0.000 0.956 579 R CA 0.102 56.209 56.100 0.013 0.000 1.029 579 R CB 0.118 30.422 30.300 0.006 0.000 0.972 579 R HN 0.381 nan 8.270 nan 0.000 0.493 580 R N 2.076 122.583 120.500 0.012 0.000 2.254 580 R HA 0.141 4.482 4.340 0.002 0.000 0.318 580 R C -0.471 175.840 176.300 0.017 0.000 1.031 580 R CA -0.332 55.774 56.100 0.011 0.000 0.905 580 R CB 0.636 30.938 30.300 0.003 0.000 1.050 580 R HN -0.013 nan 8.270 nan 0.000 0.456 581 L N 7.276 128.513 121.223 0.023 0.000 2.418 581 L HA 0.058 4.399 4.340 0.002 0.000 0.274 581 L C 0.007 176.890 176.870 0.023 0.000 1.135 581 L CA 0.530 55.390 54.840 0.034 0.000 0.870 581 L CB 0.690 42.777 42.059 0.047 0.000 1.154 581 L HN 0.955 nan 8.230 nan 0.000 0.462 582 L N 5.953 127.187 121.223 0.018 0.000 2.467 582 L HA 0.280 4.621 4.340 0.002 0.000 0.213 582 L C 0.181 177.057 176.870 0.010 0.000 1.053 582 L CA 0.269 55.112 54.840 0.006 0.000 0.847 582 L CB 0.417 42.471 42.059 -0.009 0.000 1.075 582 L HN 0.527 nan 8.230 nan 0.000 0.479 583 L N -0.978 120.254 121.223 0.016 0.000 2.545 583 L HA 0.458 4.799 4.340 0.002 0.000 0.258 583 L C -1.628 175.268 176.870 0.044 0.000 0.942 583 L CA -0.573 54.280 54.840 0.021 0.000 0.855 583 L CB 2.389 44.438 42.059 -0.018 0.000 1.374 583 L HN -0.090 nan 8.230 nan 0.000 0.411 584 H N 1.700 120.756 119.070 -0.024 0.000 2.589 584 H HA 0.296 4.853 4.556 0.002 0.000 0.351 584 H C 0.198 175.501 175.328 -0.043 0.000 1.074 584 H CA 0.318 56.352 56.048 -0.024 0.000 1.203 584 H CB 2.248 32.003 29.762 -0.012 0.000 1.558 584 H HN 0.839 nan 8.280 nan 0.000 0.522 585 T N 0.891 115.414 114.554 -0.052 0.000 3.007 585 T HA -0.053 4.298 4.350 0.002 0.000 0.270 585 T C 0.599 175.340 174.700 0.069 0.000 1.107 585 T CA 0.889 62.980 62.100 -0.016 0.000 1.118 585 T CB 0.221 69.016 68.868 -0.120 0.000 0.889 585 T HN 0.485 nan 8.240 nan 0.000 0.506 586 E N 0.629 120.999 120.200 0.282 0.000 2.558 586 E HA 0.313 4.664 4.350 0.002 0.000 0.205 586 E C 1.326 177.929 176.600 0.004 0.000 1.006 586 E CA 0.221 56.656 56.400 0.060 0.000 0.961 586 E CB 0.297 29.943 29.700 -0.091 0.000 1.044 586 E HN 0.616 nan 8.360 nan 0.000 0.465 587 G N 2.759 111.597 108.800 0.062 0.000 2.225 587 G HA2 -0.361 3.600 3.960 0.002 0.000 0.267 587 G HA3 -0.361 3.600 3.960 0.002 0.000 0.267 587 G C 0.263 175.068 174.900 -0.158 0.000 1.024 587 G CA 0.352 45.439 45.100 -0.022 0.000 0.784 587 G HN 0.200 nan 8.290 nan 0.000 0.507 588 R N -0.353 119.864 120.500 -0.472 0.000 2.641 588 R HA 0.349 4.690 4.340 0.002 0.000 0.269 588 R C 1.155 177.305 176.300 -0.250 0.000 1.074 588 R CA 0.306 56.131 56.100 -0.459 0.000 1.133 588 R CB 0.594 30.461 30.300 -0.721 0.000 1.029 588 R HN 0.484 nan 8.270 nan 0.000 0.488 589 E N 0.462 120.580 120.200 -0.137 0.000 2.190 589 E HA -0.029 4.322 4.350 0.002 0.000 0.191 589 E C -0.326 176.255 176.600 -0.031 0.000 0.978 589 E CA 0.580 56.946 56.400 -0.058 0.000 0.839 589 E CB 0.296 29.974 29.700 -0.038 0.000 0.787 589 E HN 0.482 nan 8.360 nan 0.000 0.473 590 D N 0.437 120.812 120.400 -0.041 0.000 2.277 590 D HA 0.183 4.824 4.640 0.002 0.000 0.250 590 D C -0.006 176.326 176.300 0.053 0.000 1.032 590 D CA -0.378 53.624 54.000 0.003 0.000 0.947 590 D CB 1.369 42.169 40.800 0.000 0.000 1.159 590 D HN -0.044 nan 8.370 nan 0.000 0.460 591 L N 1.462 122.727 121.223 0.069 0.000 2.376 591 L HA 0.153 4.494 4.340 0.002 0.000 0.250 591 L C 0.053 176.985 176.870 0.103 0.000 1.335 591 L CA 0.432 55.333 54.840 0.102 0.000 1.214 591 L CB -0.684 41.414 42.059 0.065 0.000 1.395 591 L HN 0.083 nan 8.230 nan 0.000 0.424 592 T N 2.010 116.654 114.554 0.150 0.000 2.937 592 T HA 0.451 4.802 4.350 0.002 0.000 0.297 592 T C -0.227 174.610 174.700 0.228 0.000 0.991 592 T CA -0.393 61.788 62.100 0.135 0.000 0.990 592 T CB 1.583 70.499 68.868 0.079 0.000 0.991 592 T HN 0.145 nan 8.240 nan 0.000 0.440 593 L N 3.285 124.611 121.223 0.171 0.000 2.264 593 L HA 0.539 4.880 4.340 0.002 0.000 0.287 593 L C 1.302 178.264 176.870 0.153 0.000 1.039 593 L CA -0.817 54.130 54.840 0.177 0.000 0.829 593 L CB 0.875 43.007 42.059 0.121 0.000 1.211 593 L HN 0.747 nan 8.230 nan 0.000 0.427 594 G N 2.211 111.119 108.800 0.180 0.000 2.664 594 G HA2 0.322 4.283 3.960 0.002 0.000 0.242 594 G HA3 0.322 4.283 3.960 0.002 0.000 0.242 594 G C 0.366 175.366 174.900 0.167 0.000 1.225 594 G CA -0.246 44.954 45.100 0.166 0.000 0.849 594 G HN 0.793 nan 8.290 nan 0.000 0.581 595 A N -0.437 122.470 122.820 0.145 0.000 2.573 595 A HA 0.479 4.800 4.320 0.002 0.000 0.250 595 A C 1.754 179.448 177.584 0.183 0.000 1.049 595 A CA 1.404 53.513 52.037 0.119 0.000 0.767 595 A CB -0.680 18.370 19.000 0.083 0.000 0.965 595 A HN 2.663 nan 8.150 nan 0.000 0.514 596 G N 1.947 110.841 108.800 0.156 0.000 2.199 596 G HA2 -0.226 3.735 3.960 0.002 0.000 0.254 596 G HA3 -0.226 3.735 3.960 0.002 0.000 0.254 596 G C 0.055 175.234 174.900 0.464 0.000 0.982 596 G CA 0.601 45.863 45.100 0.271 0.000 0.632 596 G HN 0.898 nan 8.290 nan 0.000 0.529 597 E N 0.347 120.739 120.200 0.321 0.000 2.318 597 E HA 0.667 5.018 4.350 0.002 0.000 0.265 597 E C 0.365 177.098 176.600 0.221 0.000 1.069 597 E CA 0.064 56.593 56.400 0.216 0.000 0.893 597 E CB 1.438 31.221 29.700 0.138 0.000 1.076 597 E HN 0.755 nan 8.360 nan 0.000 0.414 598 A N 1.443 124.236 122.820 -0.046 0.000 2.423 598 A HA 0.712 5.033 4.320 0.002 0.000 0.304 598 A C -1.351 176.043 177.584 -0.316 0.000 1.104 598 A CA -0.660 51.311 52.037 -0.111 0.000 0.757 598 A CB 2.038 20.891 19.000 -0.245 0.000 1.313 598 A HN 0.354 nan 8.150 nan 0.000 0.423 599 V N 1.304 121.108 119.914 -0.183 0.000 2.888 599 V HA 0.672 4.792 4.120 0.002 0.000 0.309 599 V C -1.862 174.200 176.094 -0.053 0.000 1.114 599 V CA -0.622 61.572 62.300 -0.175 0.000 0.940 599 V CB 1.900 33.631 31.823 -0.153 0.000 1.021 599 V HN 1.082 nan 8.190 nan 0.000 0.426 600 L N 7.396 128.595 121.223 -0.040 0.000 2.287 600 L HA 0.833 5.173 4.340 0.002 0.000 0.287 600 L C -0.425 176.449 176.870 0.006 0.000 1.022 600 L CA 0.005 54.838 54.840 -0.012 0.000 0.814 600 L CB 1.607 43.647 42.059 -0.032 0.000 1.217 600 L HN 0.682 nan 8.230 nan 0.000 0.420 601 V N 2.068 121.995 119.914 0.022 0.000 3.019 601 V HA 1.116 5.237 4.120 0.002 0.000 0.317 601 V C 0.022 176.123 176.094 0.012 0.000 1.094 601 V CA 0.037 62.352 62.300 0.023 0.000 1.000 601 V CB 1.209 33.054 31.823 0.038 0.000 1.060 601 V HN 0.910 nan 8.190 nan 0.000 0.443 602 G N 0.000 108.803 108.800 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 45.095 45.100 -0.008 0.000 0.502 602 G HN 0.000 nan 8.290 nan 0.000 0.925