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 2g3n_1_C DATA FIRST_RESID 3 DATA SEQUENCE ILKIYENKGV YKVVIGEPFP PIEFPLEQKI SSNKSLSELG LTIVQQGNKV DATA SEQUENCE IVEKSLDLKE HIIGLGEKAF ELDRKRKRYV MYNVDAGAYK KYQDPLYVSI DATA SEQUENCE PLFISVKDGV ATGYFFNSAS KVIFDVGLEE YDKVIVTIPE DSVEFYVIEG DATA SEQUENCE PRIEDVLEKY TELTGKPFLP PMWAFGYMIS RYSYYPQDKV VELVDIMQKE DATA SEQUENCE GFRVAGVFLD IHYMDSYKLF TWHPYRFPEP KKLIDELHKR NVKLITIVDH DATA SEQUENCE GIRVDQNYSP FLSGMGKFCE IESGELFVGK MWPGTTVYPD FFREDTREWW DATA SEQUENCE AGLISEWLSQ GVDGIWLDMN EPTDFSRAIE IRDVLSSLPV QFRDDRLVTT DATA SEQUENCE FPDNVVHYLR GKRVKHEKVR NAYPLYEAMA TFKGFRTSHR NEIFILSRAG DATA SEQUENCE YAGIQRYAFI WTGDNTPSWD DLKLQLQLVL GLSISGVPFV GCDIGGFQGR DATA SEQUENCE NFAEIDNSMD LLVKYYALAL FFPFYRSHKA TDGIDTEPVF LPDYYKEKVK DATA SEQUENCE EIVELRYKFL PYIYSLALEA SEKGHPVIRP LFYEFQDDDD MYRIEDEYMV DATA SEQUENCE GKYLLYAPIV SKEESRLVTL PRGKWYNYWN GEIINGKSVV KSTHELPIYL DATA SEQUENCE REGSIIPLEG DELIVYGETS FKRYDNAEIT SSSNEIKFSR EIYVSKLTIT DATA SEQUENCE SEKPVSKIIV DDSKEIQVEK TMQNTYVAKI NQKIRGKINL E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.123 176.117 0.010 0.000 1.063 3 I CA 0.000 61.306 61.300 0.011 0.000 1.566 3 I CB 0.000 38.007 38.000 0.011 0.000 1.214 4 L N 4.176 125.395 121.223 -0.006 0.000 2.346 4 L HA 0.818 5.158 4.340 -0.000 0.000 0.276 4 L C -1.172 175.661 176.870 -0.061 0.000 1.006 4 L CA 0.020 54.848 54.840 -0.021 0.000 0.817 4 L CB 1.752 43.802 42.059 -0.016 0.000 1.272 4 L HN 0.707 nan 8.230 nan 0.000 0.421 5 K N 5.486 125.829 120.400 -0.095 0.000 2.525 5 K HA 0.684 5.004 4.320 -0.000 0.000 0.254 5 K C -1.561 174.871 176.600 -0.280 0.000 0.934 5 K CA -0.177 55.987 56.287 -0.205 0.000 0.802 5 K CB 2.212 34.604 32.500 -0.180 0.000 1.295 5 K HN 0.538 nan 8.250 nan 0.000 0.433 6 I N 3.178 123.513 120.570 -0.391 0.000 2.498 6 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 6 I C -1.024 174.842 176.117 -0.418 0.000 1.032 6 I CA -0.965 60.159 61.300 -0.294 0.000 1.073 6 I CB 1.175 39.088 38.000 -0.145 0.000 1.251 6 I HN 0.494 nan 8.210 nan 0.000 0.426 7 Y N 3.444 123.722 120.300 -0.036 0.000 2.587 7 Y HA 0.618 5.167 4.550 -0.000 0.000 0.337 7 Y C 0.073 175.952 175.900 -0.035 0.000 1.065 7 Y CA -0.737 57.345 58.100 -0.030 0.000 1.126 7 Y CB 1.557 39.987 38.460 -0.050 0.000 1.279 7 Y HN 0.398 nan 8.280 nan 0.000 0.489 8 E N 1.746 121.989 120.200 0.072 0.000 2.314 8 E HA 0.304 4.653 4.350 -0.000 0.000 0.272 8 E C -1.925 174.600 176.600 -0.125 0.000 0.884 8 E CA -0.741 55.552 56.400 -0.178 0.000 0.753 8 E CB 2.184 31.730 29.700 -0.258 0.000 1.213 8 E HN 0.878 nan 8.360 nan 0.000 0.432 9 N N 3.563 122.149 118.700 -0.190 0.000 2.699 9 N HA 0.088 4.828 4.740 -0.000 0.000 0.271 9 N C -1.293 174.138 175.510 -0.133 0.000 1.216 9 N CA -0.269 52.713 53.050 -0.114 0.000 0.844 9 N CB 0.294 38.747 38.487 -0.056 0.000 1.462 9 N HN 0.489 nan 8.380 nan 0.000 0.555 10 K N 2.372 122.697 120.400 -0.124 0.000 3.451 10 K HA -0.228 4.092 4.320 -0.000 0.000 0.273 10 K C 0.720 177.247 176.600 -0.122 0.000 0.944 10 K CA 0.884 57.108 56.287 -0.105 0.000 0.734 10 K CB -1.509 30.945 32.500 -0.077 0.000 1.437 10 K HN 0.984 nan 8.250 nan 0.000 0.454 11 G N -1.683 107.013 108.800 -0.173 0.000 2.157 11 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.248 11 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.248 11 G C 0.031 174.832 174.900 -0.165 0.000 0.979 11 G CA 0.006 45.015 45.100 -0.151 0.000 0.650 11 G HN 0.352 nan 8.290 nan 0.000 0.529 12 V N 0.308 120.080 119.914 -0.238 0.000 2.588 12 V HA 0.644 4.763 4.120 -0.000 0.000 0.304 12 V C -0.669 175.284 176.094 -0.235 0.000 1.042 12 V CA -1.172 61.050 62.300 -0.129 0.000 0.877 12 V CB 1.665 33.472 31.823 -0.025 0.000 0.996 12 V HN 0.231 nan 8.190 nan 0.000 0.425 13 Y N 2.935 123.236 120.300 0.002 0.000 2.331 13 Y HA 0.487 5.037 4.550 -0.000 0.000 0.338 13 Y C 0.336 176.171 175.900 -0.108 0.000 0.976 13 Y CA -0.529 57.545 58.100 -0.042 0.000 1.137 13 Y CB 1.619 40.029 38.460 -0.085 0.000 1.172 13 Y HN 0.488 nan 8.280 nan 0.000 0.478 14 K N 3.683 124.082 120.400 -0.001 0.000 2.281 14 K HA 0.552 4.872 4.320 -0.000 0.000 0.272 14 K C -1.540 174.884 176.600 -0.294 0.000 1.048 14 K CA -0.441 55.667 56.287 -0.297 0.000 0.898 14 K CB 0.622 33.006 32.500 -0.193 0.000 1.128 14 K HN 0.517 nan 8.250 nan 0.000 0.460 15 V N 5.151 124.687 119.914 -0.630 0.000 2.383 15 V HA 0.254 4.374 4.120 -0.000 0.000 0.275 15 V C -0.353 175.455 176.094 -0.476 0.000 1.036 15 V CA -0.848 61.075 62.300 -0.628 0.000 0.889 15 V CB 1.443 32.568 31.823 -1.163 0.000 0.985 15 V HN 0.479 nan 8.190 nan 0.000 0.459 16 V N 6.334 126.132 119.914 -0.193 0.000 2.384 16 V HA 0.474 4.594 4.120 -0.000 0.000 0.287 16 V C -0.237 175.856 176.094 -0.001 0.000 1.020 16 V CA -0.512 61.752 62.300 -0.060 0.000 0.850 16 V CB 1.677 33.526 31.823 0.044 0.000 0.987 16 V HN 0.581 nan 8.190 nan 0.000 0.436 17 I N 4.640 125.246 120.570 0.059 0.000 2.330 17 I HA 0.674 4.844 4.170 -0.000 0.000 0.289 17 I C 0.959 177.118 176.117 0.070 0.000 1.001 17 I CA 0.469 61.819 61.300 0.083 0.000 1.193 17 I CB 0.478 38.564 38.000 0.144 0.000 1.345 17 I HN 0.874 nan 8.210 nan 0.000 0.461 18 G N 7.388 116.219 108.800 0.051 0.000 2.528 18 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.262 18 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.262 18 G C -0.128 174.804 174.900 0.053 0.000 1.200 18 G CA -0.273 44.855 45.100 0.046 0.000 0.951 18 G HN 0.635 nan 8.290 nan 0.000 0.566 19 E N 1.659 121.893 120.200 0.058 0.000 2.916 19 E HA 0.422 4.772 4.350 -0.000 0.000 0.217 19 E C -2.521 174.138 176.600 0.098 0.000 1.100 19 E CA -1.508 54.935 56.400 0.071 0.000 0.891 19 E CB 1.507 31.242 29.700 0.059 0.000 1.311 19 E HN 0.308 nan 8.360 nan 0.000 0.421 20 P HA -0.009 nan 4.420 nan 0.000 0.269 20 P C -0.968 176.447 177.300 0.190 0.000 1.209 20 P CA -0.057 63.120 63.100 0.128 0.000 0.776 20 P CB 0.374 32.129 31.700 0.092 0.000 0.876 21 F N 3.319 123.282 119.950 0.023 0.000 2.686 21 F HA 0.387 4.913 4.527 -0.000 0.000 0.365 21 F C -2.418 173.394 175.800 0.020 0.000 1.196 21 F CA -2.763 55.245 58.000 0.013 0.000 1.198 21 F CB 0.408 39.404 39.000 -0.006 0.000 1.454 21 F HN 0.175 nan 8.300 nan 0.000 0.539 22 P HA 0.087 nan 4.420 nan 0.000 0.266 22 P C -1.961 175.249 177.300 -0.151 0.000 1.193 22 P CA -0.871 62.180 63.100 -0.082 0.000 0.770 22 P CB 0.340 32.007 31.700 -0.055 0.000 0.836 23 P HA -0.026 nan 4.420 nan 0.000 0.220 23 P C 0.333 177.701 177.300 0.113 0.000 1.148 23 P CA 1.412 64.527 63.100 0.024 0.000 0.803 23 P CB 0.602 32.299 31.700 -0.005 0.000 0.782 24 I N -1.497 119.066 120.570 -0.012 0.000 2.775 24 I HA 0.268 4.438 4.170 -0.000 0.000 0.295 24 I C -1.445 174.428 176.117 -0.406 0.000 1.287 24 I CA -0.996 60.220 61.300 -0.140 0.000 1.029 24 I CB 3.000 40.854 38.000 -0.242 0.000 1.282 24 I HN -0.325 nan 8.210 nan 0.000 0.426 25 E N 6.123 126.111 120.200 -0.353 0.000 2.174 25 E HA 0.344 4.694 4.350 -0.000 0.000 0.282 25 E C -1.665 174.723 176.600 -0.354 0.000 0.992 25 E CA -0.467 55.760 56.400 -0.288 0.000 0.803 25 E CB 1.337 30.953 29.700 -0.140 0.000 1.090 25 E HN 0.258 nan 8.360 nan 0.000 0.396 26 F N 4.593 124.581 119.950 0.062 0.000 2.361 26 F HA 0.247 4.774 4.527 -0.000 0.000 0.364 26 F C -1.660 174.142 175.800 0.003 0.000 1.120 26 F CA -2.857 55.148 58.000 0.009 0.000 1.102 26 F CB 0.678 39.665 39.000 -0.022 0.000 1.183 26 F HN 0.244 nan 8.300 nan 0.000 0.476 27 P HA 0.010 nan 4.420 nan 0.000 0.264 27 P C -0.375 176.958 177.300 0.054 0.000 1.193 27 P CA -0.120 63.018 63.100 0.064 0.000 0.763 27 P CB 1.703 33.422 31.700 0.033 0.000 0.810 28 L N 3.500 124.742 121.223 0.032 0.000 3.030 28 L HA 0.142 4.482 4.340 -0.000 0.000 0.252 28 L C 1.271 178.129 176.870 -0.020 0.000 1.316 28 L CA -0.172 54.679 54.840 0.018 0.000 0.975 28 L CB -0.689 41.402 42.059 0.053 0.000 1.357 28 L HN 0.290 nan 8.230 nan 0.000 0.534 29 E N 0.503 120.691 120.200 -0.020 0.000 3.220 29 E HA -0.337 4.013 4.350 -0.000 0.000 0.340 29 E C 0.274 176.856 176.600 -0.030 0.000 1.110 29 E CA 2.323 58.709 56.400 -0.025 0.000 1.358 29 E CB -0.721 28.964 29.700 -0.026 0.000 1.382 29 E HN 0.726 nan 8.360 nan 0.000 0.404 30 Q N 2.572 122.355 119.800 -0.028 0.000 2.810 30 Q HA 0.373 4.713 4.340 -0.000 0.000 0.236 30 Q C -0.169 175.818 176.000 -0.022 0.000 1.278 30 Q CA -0.023 55.765 55.803 -0.024 0.000 1.065 30 Q CB 0.294 29.021 28.738 -0.019 0.000 1.364 30 Q HN 0.140 nan 8.270 nan 0.000 0.570 31 K N 1.866 122.243 120.400 -0.037 0.000 2.336 31 K HA 0.331 4.651 4.320 -0.000 0.000 0.262 31 K C -0.243 176.392 176.600 0.057 0.000 0.992 31 K CA 0.325 56.596 56.287 -0.027 0.000 0.927 31 K CB 0.559 32.954 32.500 -0.176 0.000 0.956 31 K HN 0.504 nan 8.250 nan 0.000 0.495 32 I N 0.570 121.230 120.570 0.149 0.000 2.680 32 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 32 I C -0.715 175.510 176.117 0.180 0.000 1.244 32 I CA -0.642 60.737 61.300 0.131 0.000 1.042 32 I CB 2.275 40.303 38.000 0.048 0.000 1.277 32 I HN 0.424 nan 8.210 nan 0.000 0.423 33 S N 3.557 119.325 115.700 0.113 0.000 2.488 33 S HA 0.241 4.711 4.470 -0.000 0.000 0.278 33 S C 0.271 174.852 174.600 -0.033 0.000 1.259 33 S CA -0.477 57.691 58.200 -0.054 0.000 1.061 33 S CB 0.573 63.719 63.200 -0.090 0.000 0.910 33 S HN 0.708 nan 8.310 nan 0.000 0.491 34 S N 3.077 118.752 115.700 -0.041 0.000 2.646 34 S HA 0.352 4.822 4.470 -0.000 0.000 0.276 34 S C 0.453 175.053 174.600 0.000 0.000 1.222 34 S CA -0.902 57.314 58.200 0.027 0.000 1.014 34 S CB 0.625 63.911 63.200 0.144 0.000 0.991 34 S HN 0.637 nan 8.310 nan 0.000 0.533 35 N N 0.315 119.029 118.700 0.023 0.000 2.270 35 N HA 0.120 4.860 4.740 -0.000 0.000 0.198 35 N C -0.337 175.172 175.510 -0.001 0.000 1.117 35 N CA -0.009 53.042 53.050 0.000 0.000 0.845 35 N CB 0.195 38.684 38.487 0.004 0.000 0.980 35 N HN 0.558 nan 8.380 nan 0.000 0.486 36 K N 1.511 121.920 120.400 0.016 0.000 2.270 36 K HA 0.160 4.480 4.320 -0.000 0.000 0.276 36 K C 0.612 177.170 176.600 -0.071 0.000 1.023 36 K CA -0.063 56.201 56.287 -0.038 0.000 0.955 36 K CB 0.891 33.332 32.500 -0.098 0.000 0.975 36 K HN 0.097 nan 8.250 nan 0.000 0.471 37 S N 2.053 117.708 115.700 -0.075 0.000 2.768 37 S HA 0.246 4.716 4.470 -0.000 0.000 0.300 37 S C 0.952 175.511 174.600 -0.068 0.000 1.122 37 S CA -0.787 57.376 58.200 -0.063 0.000 0.995 37 S CB 0.609 63.785 63.200 -0.039 0.000 1.195 37 S HN 0.407 nan 8.310 nan 0.000 0.547 38 L N 1.341 122.544 121.223 -0.033 0.000 2.056 38 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 38 L C 2.862 179.731 176.870 -0.001 0.000 1.078 38 L CA 1.755 56.595 54.840 -0.001 0.000 0.749 38 L CB -1.624 40.454 42.059 0.031 0.000 0.901 38 L HN 0.841 nan 8.230 nan 0.000 0.433 39 S N -0.415 115.280 115.700 -0.008 0.000 2.353 39 S HA -0.233 4.236 4.470 -0.000 0.000 0.222 39 S C 1.737 176.327 174.600 -0.016 0.000 1.035 39 S CA 1.564 59.760 58.200 -0.007 0.000 1.025 39 S CB -0.372 62.822 63.200 -0.009 0.000 0.902 39 S HN 0.540 nan 8.310 nan 0.000 0.440 40 E N 0.295 120.473 120.200 -0.036 0.000 2.265 40 E HA -0.071 4.279 4.350 -0.000 0.000 0.196 40 E C 1.285 177.842 176.600 -0.072 0.000 0.996 40 E CA 0.552 56.921 56.400 -0.051 0.000 0.832 40 E CB -0.100 29.559 29.700 -0.068 0.000 0.756 40 E HN 0.228 nan 8.360 nan 0.000 0.491 41 L N -0.557 120.622 121.223 -0.075 0.000 2.585 41 L HA 0.204 4.544 4.340 -0.000 0.000 0.226 41 L C 1.236 178.130 176.870 0.041 0.000 1.113 41 L CA 0.973 55.773 54.840 -0.067 0.000 0.876 41 L CB 0.076 42.074 42.059 -0.101 0.000 1.072 41 L HN 0.212 nan 8.230 nan 0.000 0.468 42 G N 0.093 108.912 108.800 0.033 0.000 2.176 42 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 42 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 42 G C 0.102 175.043 174.900 0.068 0.000 1.024 42 G CA 0.542 45.672 45.100 0.050 0.000 0.755 42 G HN 0.284 nan 8.290 nan 0.000 0.507 43 L N -0.478 120.792 121.223 0.080 0.000 2.333 43 L HA 0.799 5.139 4.340 -0.000 0.000 0.269 43 L C 0.166 177.078 176.870 0.070 0.000 1.010 43 L CA -0.937 53.962 54.840 0.099 0.000 0.818 43 L CB 2.426 44.601 42.059 0.194 0.000 1.306 43 L HN 0.091 nan 8.230 nan 0.000 0.430 44 T N 2.646 117.233 114.554 0.054 0.000 2.861 44 T HA 0.687 5.037 4.350 -0.000 0.000 0.287 44 T C -0.553 174.170 174.700 0.039 0.000 1.003 44 T CA -0.316 61.804 62.100 0.034 0.000 0.977 44 T CB 1.642 70.516 68.868 0.009 0.000 0.996 44 T HN 0.274 nan 8.240 nan 0.000 0.448 45 I N 2.422 123.018 120.570 0.044 0.000 2.582 45 I HA 0.647 4.817 4.170 -0.000 0.000 0.292 45 I C -0.974 175.157 176.117 0.023 0.000 1.066 45 I CA -1.120 60.208 61.300 0.047 0.000 1.053 45 I CB 2.313 40.375 38.000 0.104 0.000 1.241 45 I HN 0.253 nan 8.210 nan 0.000 0.421 46 V N 5.097 125.015 119.914 0.007 0.000 2.709 46 V HA 0.383 4.503 4.120 -0.000 0.000 0.308 46 V C -0.731 175.361 176.094 -0.004 0.000 1.062 46 V CA -0.611 61.687 62.300 -0.003 0.000 0.901 46 V CB 2.167 33.978 31.823 -0.019 0.000 1.003 46 V HN 0.681 nan 8.190 nan 0.000 0.425 47 Q N 3.392 123.192 119.800 -0.000 0.000 2.333 47 Q HA 0.596 4.936 4.340 -0.000 0.000 0.268 47 Q C -0.718 175.277 176.000 -0.010 0.000 1.007 47 Q CA -0.377 55.425 55.803 -0.001 0.000 0.810 47 Q CB 2.676 31.420 28.738 0.010 0.000 1.264 47 Q HN 0.737 nan 8.270 nan 0.000 0.452 48 Q N 0.262 120.052 119.800 -0.017 0.000 3.331 48 Q HA 0.431 4.771 4.340 -0.000 0.000 0.279 48 Q C 0.191 176.178 176.000 -0.021 0.000 1.025 48 Q CA -0.974 54.816 55.803 -0.021 0.000 0.743 48 Q CB 0.434 29.155 28.738 -0.028 0.000 2.725 48 Q HN 0.747 nan 8.270 nan 0.000 0.380 49 G N 2.133 110.917 108.800 -0.026 0.000 2.635 49 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.289 49 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.289 49 G C -0.044 174.839 174.900 -0.028 0.000 0.705 49 G CA 0.134 45.218 45.100 -0.026 0.000 2.034 49 G HN 0.561 nan 8.290 nan 0.000 0.519 50 N N -0.067 118.620 118.700 -0.023 0.000 2.725 50 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 50 N C 0.044 175.539 175.510 -0.025 0.000 1.103 50 N CA 1.506 54.543 53.050 -0.021 0.000 0.707 50 N CB -0.580 37.892 38.487 -0.026 0.000 1.043 50 N HN 0.639 nan 8.380 nan 0.000 0.553 51 K N -0.299 120.085 120.400 -0.027 0.000 2.477 51 K HA 0.632 4.952 4.320 -0.000 0.000 0.255 51 K C -0.674 175.907 176.600 -0.032 0.000 0.952 51 K CA -0.687 55.578 56.287 -0.038 0.000 0.826 51 K CB 2.747 35.215 32.500 -0.055 0.000 1.331 51 K HN -0.166 nan 8.250 nan 0.000 0.437 52 V N 3.443 123.333 119.914 -0.040 0.000 2.444 52 V HA 0.457 4.577 4.120 -0.000 0.000 0.294 52 V C -0.568 175.477 176.094 -0.081 0.000 1.022 52 V CA -0.753 61.529 62.300 -0.030 0.000 0.850 52 V CB 1.429 33.260 31.823 0.014 0.000 0.992 52 V HN 0.601 nan 8.190 nan 0.000 0.426 53 I N 5.177 125.701 120.570 -0.077 0.000 2.362 53 I HA 0.504 4.674 4.170 -0.000 0.000 0.289 53 I C -0.655 175.399 176.117 -0.106 0.000 0.994 53 I CA -0.790 60.439 61.300 -0.118 0.000 1.158 53 I CB 1.963 39.905 38.000 -0.097 0.000 1.315 53 I HN 0.255 nan 8.210 nan 0.000 0.451 54 V N 6.215 126.028 119.914 -0.168 0.000 2.384 54 V HA 0.365 4.484 4.120 -0.000 0.000 0.287 54 V C -0.108 175.916 176.094 -0.116 0.000 1.020 54 V CA -0.593 61.630 62.300 -0.129 0.000 0.850 54 V CB 1.591 33.294 31.823 -0.200 0.000 0.987 54 V HN 0.701 nan 8.190 nan 0.000 0.436 55 E N 3.560 123.725 120.200 -0.058 0.000 2.207 55 E HA 0.671 5.020 4.350 -0.000 0.000 0.270 55 E C -0.789 175.795 176.600 -0.027 0.000 0.927 55 E CA -0.856 55.511 56.400 -0.055 0.000 0.799 55 E CB 2.792 32.463 29.700 -0.048 0.000 1.172 55 E HN 0.519 nan 8.360 nan 0.000 0.404 56 K N 0.933 121.307 120.400 -0.043 0.000 2.527 56 K HA 0.296 4.616 4.320 -0.000 0.000 0.260 56 K C -0.820 175.753 176.600 -0.046 0.000 0.937 56 K CA -0.588 55.678 56.287 -0.035 0.000 0.826 56 K CB 1.802 34.260 32.500 -0.070 0.000 1.359 56 K HN 0.631 nan 8.250 nan 0.000 0.434 57 S N 2.193 117.875 115.700 -0.030 0.000 2.614 57 S HA 0.477 4.947 4.470 -0.000 0.000 0.265 57 S C -0.487 174.079 174.600 -0.057 0.000 1.303 57 S CA -0.739 57.438 58.200 -0.038 0.000 1.000 57 S CB 0.968 64.155 63.200 -0.022 0.000 0.935 57 S HN 0.457 nan 8.310 nan 0.000 0.551 58 L N 1.690 122.867 121.223 -0.077 0.000 2.441 58 L HA 0.535 4.875 4.340 -0.000 0.000 0.270 58 L C -1.459 175.342 176.870 -0.114 0.000 0.973 58 L CA -0.285 54.488 54.840 -0.112 0.000 0.842 58 L CB 1.666 43.626 42.059 -0.164 0.000 1.239 58 L HN 0.728 nan 8.230 nan 0.000 0.406 59 D N 4.103 124.438 120.400 -0.108 0.000 2.312 59 D HA 0.239 4.879 4.640 -0.000 0.000 0.248 59 D C 1.403 177.621 176.300 -0.137 0.000 1.086 59 D CA -0.332 53.610 54.000 -0.098 0.000 0.948 59 D CB 1.689 42.439 40.800 -0.083 0.000 1.162 59 D HN 0.533 nan 8.370 nan 0.000 0.446 60 L N 0.583 121.750 121.223 -0.093 0.000 2.043 60 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 60 L C 2.009 178.789 176.870 -0.149 0.000 1.075 60 L CA 1.252 56.039 54.840 -0.088 0.000 0.752 60 L CB -0.227 41.825 42.059 -0.013 0.000 0.891 60 L HN 0.171 nan 8.230 nan 0.000 0.432 61 K N 0.109 120.404 120.400 -0.174 0.000 2.404 61 K HA 0.056 4.376 4.320 -0.000 0.000 0.194 61 K C 0.376 176.657 176.600 -0.531 0.000 1.023 61 K CA 0.021 56.142 56.287 -0.276 0.000 1.094 61 K CB 0.030 32.424 32.500 -0.177 0.000 0.841 61 K HN 0.350 nan 8.250 nan 0.000 0.523 62 E N 1.454 121.409 120.200 -0.408 0.000 2.360 62 E HA -0.018 4.332 4.350 -0.000 0.000 0.269 62 E C -0.676 175.594 176.600 -0.550 0.000 1.022 62 E CA -0.093 56.052 56.400 -0.425 0.000 0.887 62 E CB 0.502 30.073 29.700 -0.215 0.000 0.990 62 E HN 0.115 nan 8.360 nan 0.000 0.426 63 H N 4.185 123.093 119.070 -0.269 0.000 2.472 63 H HA 0.359 4.914 4.556 -0.000 0.000 0.338 63 H C -0.261 174.961 175.328 -0.176 0.000 1.133 63 H CA -0.639 55.206 56.048 -0.339 0.000 1.216 63 H CB 1.016 30.326 29.762 -0.753 0.000 1.497 63 H HN 0.368 nan 8.280 nan 0.000 0.500 64 I N 4.967 125.523 120.570 -0.023 0.000 2.447 64 I HA 0.288 4.458 4.170 -0.000 0.000 0.287 64 I C 0.518 176.622 176.117 -0.023 0.000 1.023 64 I CA -0.470 60.819 61.300 -0.017 0.000 1.083 64 I CB 1.257 39.168 38.000 -0.148 0.000 1.245 64 I HN 0.524 nan 8.210 nan 0.000 0.434 65 I N 2.047 122.638 120.570 0.036 0.000 3.108 65 I HA 1.035 5.205 4.170 -0.000 0.000 0.312 65 I C 0.381 176.523 176.117 0.041 0.000 1.095 65 I CA -0.543 60.770 61.300 0.022 0.000 1.000 65 I CB 2.434 40.443 38.000 0.016 0.000 1.229 65 I HN 0.685 nan 8.210 nan 0.000 0.454 66 G N 2.271 111.076 108.800 0.008 0.000 2.443 66 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.209 66 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.209 66 G C 0.089 174.884 174.900 -0.174 0.000 1.176 66 G CA -0.314 44.751 45.100 -0.059 0.000 1.074 66 G HN 1.437 nan 8.290 nan 0.000 0.577 67 L N 0.051 121.133 121.223 -0.234 0.000 4.759 67 L HA -0.152 4.188 4.340 -0.000 0.000 0.419 67 L C 2.122 178.868 176.870 -0.207 0.000 1.093 67 L CA 1.625 56.261 54.840 -0.339 0.000 1.037 67 L CB -1.779 39.931 42.059 -0.581 0.000 2.095 67 L HN 2.981 nan 8.230 nan 0.000 0.739 68 G N 0.405 109.115 108.800 -0.151 0.000 2.556 68 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.283 68 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.283 68 G C -0.015 174.844 174.900 -0.067 0.000 1.177 68 G CA 0.640 45.678 45.100 -0.102 0.000 0.978 68 G HN 0.499 nan 8.290 nan 0.000 0.554 69 E N 1.574 121.748 120.200 -0.043 0.000 1.858 69 E HA 0.349 4.699 4.350 -0.000 0.000 0.267 69 E C -0.365 176.242 176.600 0.011 0.000 1.215 69 E CA -0.078 56.308 56.400 -0.023 0.000 0.952 69 E CB -0.087 29.597 29.700 -0.026 0.000 1.058 69 E HN 0.228 nan 8.360 nan 0.000 0.407 70 K N 1.742 122.178 120.400 0.060 0.000 2.345 70 K HA 0.326 4.646 4.320 -0.000 0.000 0.255 70 K C -0.572 176.188 176.600 0.268 0.000 0.934 70 K CA -0.749 55.663 56.287 0.210 0.000 0.801 70 K CB 1.986 34.620 32.500 0.224 0.000 1.137 70 K HN 0.337 nan 8.250 nan 0.000 0.424 71 A N 3.891 126.879 122.820 0.281 0.000 3.033 71 A HA 0.383 4.703 4.320 -0.000 0.000 0.250 71 A C -0.697 176.805 177.584 -0.135 0.000 1.633 71 A CA 0.163 52.224 52.037 0.041 0.000 1.290 71 A CB -0.901 18.052 19.000 -0.078 0.000 1.048 71 A HN 0.492 nan 8.150 nan 0.000 0.648 72 F N -1.597 118.485 119.950 0.221 0.000 2.692 72 F HA 0.472 4.999 4.527 -0.000 0.000 0.320 72 F C 0.153 176.094 175.800 0.235 0.000 1.123 72 F CA -1.175 57.018 58.000 0.320 0.000 0.961 72 F CB 0.980 40.204 39.000 0.375 0.000 1.383 72 F HN 0.066 nan 8.300 nan 0.000 0.483 73 E N 0.691 121.171 120.200 0.467 0.000 2.437 73 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 73 E C 0.722 177.485 176.600 0.272 0.000 1.030 73 E CA 0.018 56.606 56.400 0.313 0.000 0.934 73 E CB 0.194 30.064 29.700 0.283 0.000 0.943 73 E HN 0.377 nan 8.360 nan 0.000 0.444 74 L N 1.229 122.596 121.223 0.241 0.000 2.127 74 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 74 L C 0.715 177.688 176.870 0.171 0.000 1.089 74 L CA 1.589 56.576 54.840 0.246 0.000 0.757 74 L CB -0.622 41.674 42.059 0.395 0.000 0.899 74 L HN 0.559 nan 8.230 nan 0.000 0.434 75 D N -0.121 120.373 120.400 0.156 0.000 2.339 75 D HA 0.016 4.656 4.640 -0.000 0.000 0.241 75 D C 0.810 177.164 176.300 0.090 0.000 1.183 75 D CA -0.221 53.833 54.000 0.089 0.000 0.859 75 D CB 0.835 41.704 40.800 0.116 0.000 1.067 75 D HN -0.013 nan 8.370 nan 0.000 0.484 76 R N 2.967 123.482 120.500 0.026 0.000 2.323 76 R HA 0.037 4.377 4.340 -0.000 0.000 0.198 76 R C 0.470 176.820 176.300 0.082 0.000 0.988 76 R CA 0.052 56.180 56.100 0.047 0.000 1.041 76 R CB -0.322 29.856 30.300 -0.202 0.000 0.926 76 R HN 0.363 nan 8.270 nan 0.000 0.476 77 K N 1.585 121.985 120.400 -0.000 0.000 2.440 77 K HA 0.010 4.329 4.320 -0.000 0.000 0.270 77 K C 0.353 176.919 176.600 -0.056 0.000 0.980 77 K CA -0.063 56.187 56.287 -0.061 0.000 0.953 77 K CB 0.390 32.823 32.500 -0.113 0.000 0.925 77 K HN -0.106 nan 8.250 nan 0.000 0.497 78 R N -0.130 120.304 120.500 -0.111 0.000 3.322 78 R HA -0.151 4.189 4.340 -0.000 0.000 0.266 78 R C -0.898 175.302 176.300 -0.167 0.000 1.072 78 R CA 0.551 56.584 56.100 -0.112 0.000 0.715 78 R CB -2.052 28.212 30.300 -0.060 0.000 1.199 78 R HN 0.651 nan 8.270 nan 0.000 0.421 79 K N 0.194 120.441 120.400 -0.254 0.000 2.562 79 K HA 0.410 4.730 4.320 -0.000 0.000 0.267 79 K C -1.206 175.052 176.600 -0.571 0.000 0.938 79 K CA -0.811 55.159 56.287 -0.528 0.000 0.840 79 K CB 1.475 33.394 32.500 -0.969 0.000 1.390 79 K HN 0.214 nan 8.250 nan 0.000 0.428 80 R N 3.739 123.910 120.500 -0.549 0.000 2.239 80 R HA 0.362 4.701 4.340 -0.000 0.000 0.332 80 R C -1.091 174.952 176.300 -0.428 0.000 0.988 80 R CA -0.356 55.538 56.100 -0.343 0.000 0.859 80 R CB 0.252 30.430 30.300 -0.205 0.000 1.148 80 R HN 0.556 nan 8.270 nan 0.000 0.482 81 Y N 2.448 122.682 120.300 -0.111 0.000 2.320 81 Y HA 0.373 4.923 4.550 -0.000 0.000 0.324 81 Y C 0.166 176.085 175.900 0.032 0.000 1.190 81 Y CA -0.710 57.345 58.100 -0.075 0.000 1.215 81 Y CB 1.776 40.180 38.460 -0.093 0.000 1.221 81 Y HN 0.157 nan 8.280 nan 0.000 0.486 82 V N 4.768 124.794 119.914 0.187 0.000 2.495 82 V HA 0.326 4.446 4.120 -0.000 0.000 0.298 82 V C -0.316 175.908 176.094 0.217 0.000 1.031 82 V CA -0.974 61.419 62.300 0.155 0.000 0.871 82 V CB 1.546 33.416 31.823 0.078 0.000 0.988 82 V HN 0.646 nan 8.190 nan 0.000 0.432 83 M N 5.813 125.566 119.600 0.255 0.000 2.152 83 M HA 0.434 4.914 4.480 -0.000 0.000 0.354 83 M C -1.249 175.257 176.300 0.343 0.000 1.173 83 M CA -0.287 55.185 55.300 0.286 0.000 1.110 83 M CB -0.118 32.697 32.600 0.359 0.000 1.366 83 M HN 0.690 nan 8.290 nan 0.000 0.415 84 Y N 2.586 122.937 120.300 0.084 0.000 2.294 84 Y HA 0.320 4.870 4.550 -0.000 0.000 0.329 84 Y C -0.540 175.376 175.900 0.026 0.000 1.135 84 Y CA -1.336 56.793 58.100 0.048 0.000 1.213 84 Y CB 0.896 39.373 38.460 0.029 0.000 1.141 84 Y HN 0.559 nan 8.280 nan 0.000 0.446 85 N N 3.111 121.732 118.700 -0.131 0.000 2.294 85 N HA 0.197 4.937 4.740 -0.000 0.000 0.263 85 N C -0.774 174.636 175.510 -0.167 0.000 1.281 85 N CA 0.489 53.465 53.050 -0.122 0.000 0.846 85 N CB 1.050 39.453 38.487 -0.139 0.000 1.061 85 N HN 0.391 nan 8.380 nan 0.000 0.478 86 V N 1.718 121.571 119.914 -0.101 0.000 3.012 86 V HA 0.156 4.276 4.120 -0.000 0.000 0.307 86 V C -1.151 174.873 176.094 -0.116 0.000 1.166 86 V CA -1.032 61.212 62.300 -0.094 0.000 0.974 86 V CB 2.388 34.193 31.823 -0.030 0.000 1.040 86 V HN 0.635 nan 8.190 nan 0.000 0.428 87 D N 4.630 125.008 120.400 -0.037 0.000 2.348 87 D HA 0.242 4.882 4.640 -0.000 0.000 0.259 87 D C 0.878 177.170 176.300 -0.012 0.000 1.296 87 D CA 0.553 54.598 54.000 0.075 0.000 0.931 87 D CB 1.729 42.599 40.800 0.117 0.000 1.067 87 D HN 0.755 nan 8.370 nan 0.000 0.503 88 A N 3.500 126.156 122.820 -0.273 0.000 2.168 88 A HA 0.294 4.614 4.320 -0.000 0.000 0.215 88 A C 1.479 179.133 177.584 0.116 0.000 1.152 88 A CA 1.011 52.946 52.037 -0.169 0.000 0.716 88 A CB -0.551 18.181 19.000 -0.447 0.000 0.794 88 A HN 0.887 nan 8.150 nan 0.000 0.465 89 G N -0.836 108.108 108.800 0.239 0.000 2.547 89 G HA2 0.066 4.026 3.960 -0.000 0.000 0.271 89 G HA3 0.066 4.026 3.960 -0.000 0.000 0.271 89 G C 0.568 175.656 174.900 0.313 0.000 1.209 89 G CA 0.200 45.472 45.100 0.287 0.000 0.959 89 G HN 1.712 nan 8.290 nan 0.000 0.563 90 A N 0.728 123.676 122.820 0.214 0.000 3.037 90 A HA 0.615 4.935 4.320 -0.000 0.000 0.272 90 A C 0.346 177.964 177.584 0.057 0.000 1.723 90 A CA 0.578 52.700 52.037 0.141 0.000 1.413 90 A CB -1.275 17.778 19.000 0.089 0.000 1.112 90 A HN 1.841 nan 8.150 nan 0.000 0.606 91 Y N -0.254 120.115 120.300 0.116 0.000 2.550 91 Y HA 0.484 5.034 4.550 -0.000 0.000 0.343 91 Y C 0.205 176.139 175.900 0.056 0.000 1.245 91 Y CA -0.384 57.749 58.100 0.055 0.000 1.462 91 Y CB 0.502 38.974 38.460 0.021 0.000 1.340 91 Y HN 0.419 nan 8.280 nan 0.000 0.604 92 K N 2.036 122.555 120.400 0.200 0.000 2.346 92 K HA 0.361 4.681 4.320 -0.000 0.000 0.238 92 K C -0.974 175.667 176.600 0.069 0.000 1.039 92 K CA -1.464 54.877 56.287 0.090 0.000 0.861 92 K CB 1.648 34.167 32.500 0.031 0.000 1.278 92 K HN 0.748 nan 8.250 nan 0.000 0.460 93 K N 0.288 120.634 120.400 -0.090 0.000 2.319 93 K HA 0.027 4.347 4.320 -0.000 0.000 0.265 93 K C -0.767 175.594 176.600 -0.399 0.000 1.000 93 K CA -0.105 55.980 56.287 -0.337 0.000 0.943 93 K CB 0.175 32.318 32.500 -0.594 0.000 0.950 93 K HN 0.580 nan 8.250 nan 0.000 0.485 94 Y N -2.554 117.439 120.300 -0.512 0.000 4.841 94 Y HA -0.274 4.275 4.550 -0.000 0.000 0.242 94 Y C -0.048 175.703 175.900 -0.249 0.000 1.002 94 Y CA 1.080 58.691 58.100 -0.816 0.000 2.011 94 Y CB -2.470 35.753 38.460 -0.396 0.000 1.554 94 Y HN 0.830 nan 8.280 nan 0.000 0.618 95 Q N 1.175 120.984 119.800 0.015 0.000 2.261 95 Q HA 0.487 4.827 4.340 -0.000 0.000 0.252 95 Q C -0.677 175.449 176.000 0.209 0.000 0.915 95 Q CA -0.309 55.571 55.803 0.127 0.000 0.915 95 Q CB 1.337 30.137 28.738 0.104 0.000 1.204 95 Q HN 0.291 nan 8.270 nan 0.000 0.421 96 D N 3.283 123.814 120.400 0.218 0.000 2.837 96 D HA 0.438 5.078 4.640 -0.000 0.000 0.220 96 D C -2.575 173.799 176.300 0.124 0.000 1.236 96 D CA -1.139 52.992 54.000 0.219 0.000 0.838 96 D CB 1.691 42.684 40.800 0.321 0.000 1.647 96 D HN 0.363 nan 8.370 nan 0.000 0.486 97 P HA 0.477 nan 4.420 nan 0.000 0.284 97 P C -0.614 176.670 177.300 -0.027 0.000 1.292 97 P CA -0.609 62.542 63.100 0.085 0.000 0.800 97 P CB 1.467 33.237 31.700 0.117 0.000 1.188 98 L N -1.696 119.474 121.223 -0.088 0.000 2.670 98 L HA 0.320 4.660 4.340 -0.000 0.000 0.251 98 L C 2.050 178.754 176.870 -0.277 0.000 1.548 98 L CA -0.751 53.899 54.840 -0.315 0.000 1.643 98 L CB -0.298 41.561 42.059 -0.333 0.000 2.174 98 L HN 0.256 nan 8.230 nan 0.000 0.585 99 Y N -0.497 119.729 120.300 -0.124 0.000 2.314 99 Y HA 0.040 4.590 4.550 -0.000 0.000 0.293 99 Y C 0.732 176.579 175.900 -0.088 0.000 1.129 99 Y CA 0.201 58.227 58.100 -0.124 0.000 1.201 99 Y CB -0.298 38.048 38.460 -0.190 0.000 0.999 99 Y HN -0.028 nan 8.280 nan 0.000 0.541 100 V N -0.261 119.706 119.914 0.088 0.000 2.581 100 V HA 0.395 4.515 4.120 -0.000 0.000 0.303 100 V C -0.269 175.869 176.094 0.074 0.000 1.041 100 V CA -0.974 61.365 62.300 0.065 0.000 0.907 100 V CB 1.835 33.676 31.823 0.030 0.000 0.994 100 V HN -0.042 nan 8.190 nan 0.000 0.442 101 S N 5.242 121.018 115.700 0.127 0.000 2.718 101 S HA 0.555 5.025 4.470 -0.000 0.000 0.294 101 S C -0.595 174.121 174.600 0.193 0.000 1.157 101 S CA -0.363 57.947 58.200 0.182 0.000 1.121 101 S CB 0.432 63.791 63.200 0.264 0.000 1.015 101 S HN 0.458 nan 8.310 nan 0.000 0.479 102 I N 4.464 125.079 120.570 0.075 0.000 2.388 102 I HA 0.322 4.492 4.170 -0.000 0.000 0.281 102 I C -2.510 173.644 176.117 0.061 0.000 1.046 102 I CA -2.754 58.547 61.300 0.001 0.000 1.187 102 I CB 0.798 38.736 38.000 -0.102 0.000 1.351 102 I HN 0.198 nan 8.210 nan 0.000 0.472 103 P HA 0.138 nan 4.420 nan 0.000 0.238 103 P C -0.397 177.232 177.300 0.548 0.000 1.714 103 P CA 0.049 63.435 63.100 0.478 0.000 0.908 103 P CB -0.105 32.027 31.700 0.721 0.000 1.893 104 L N 1.696 123.023 121.223 0.172 0.000 2.385 104 L HA 0.761 5.101 4.340 -0.000 0.000 0.273 104 L C -1.181 175.704 176.870 0.026 0.000 0.990 104 L CA -1.173 53.727 54.840 0.101 0.000 0.821 104 L CB 1.059 42.939 42.059 -0.299 0.000 1.279 104 L HN -0.033 nan 8.230 nan 0.000 0.412 105 F N 4.050 124.027 119.950 0.046 0.000 2.588 105 F HA 0.819 5.346 4.527 -0.000 0.000 0.310 105 F C -1.545 174.334 175.800 0.131 0.000 1.082 105 F CA -1.296 56.699 58.000 -0.008 0.000 0.929 105 F CB 1.088 40.044 39.000 -0.073 0.000 1.254 105 F HN 0.305 nan 8.300 nan 0.000 0.455 106 I N 2.698 123.455 120.570 0.312 0.000 2.433 106 I HA 0.421 4.591 4.170 -0.000 0.000 0.292 106 I C -0.356 175.971 176.117 0.350 0.000 1.001 106 I CA -0.871 60.566 61.300 0.229 0.000 1.119 106 I CB 2.049 40.115 38.000 0.110 0.000 1.289 106 I HN 0.794 nan 8.210 nan 0.000 0.438 107 S N 5.464 121.383 115.700 0.365 0.000 2.489 107 S HA 0.646 5.116 4.470 -0.000 0.000 0.291 107 S C -0.766 173.940 174.600 0.176 0.000 1.151 107 S CA -0.471 57.910 58.200 0.302 0.000 1.082 107 S CB 1.156 64.592 63.200 0.394 0.000 1.019 107 S HN 0.340 nan 8.310 nan 0.000 0.492 108 V N 5.782 125.759 119.914 0.106 0.000 2.349 108 V HA 0.511 4.631 4.120 -0.000 0.000 0.284 108 V C -0.198 175.903 176.094 0.011 0.000 1.014 108 V CA -0.693 61.660 62.300 0.088 0.000 0.826 108 V CB 1.111 33.019 31.823 0.142 0.000 1.009 108 V HN 0.874 nan 8.190 nan 0.000 0.431 109 K N 3.284 123.696 120.400 0.020 0.000 2.426 109 K HA 0.423 4.743 4.320 -0.000 0.000 0.254 109 K C -0.378 176.224 176.600 0.003 0.000 0.936 109 K CA -0.490 55.783 56.287 -0.024 0.000 0.801 109 K CB 1.158 33.654 32.500 -0.007 0.000 1.139 109 K HN 0.673 nan 8.250 nan 0.000 0.424 110 D N 3.345 123.738 120.400 -0.012 0.000 2.772 110 D HA -0.195 4.445 4.640 -0.000 0.000 0.233 110 D C 0.625 176.949 176.300 0.041 0.000 1.143 110 D CA 1.656 55.664 54.000 0.013 0.000 0.700 110 D CB -1.125 39.682 40.800 0.012 0.000 1.076 110 D HN 1.104 nan 8.370 nan 0.000 0.430 111 G N -1.942 106.897 108.800 0.064 0.000 2.189 111 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.267 111 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.267 111 G C 0.394 175.339 174.900 0.076 0.000 0.975 111 G CA 0.459 45.615 45.100 0.093 0.000 0.644 111 G HN 0.597 nan 8.290 nan 0.000 0.537 112 V N 0.981 120.930 119.914 0.058 0.000 2.427 112 V HA 0.779 4.898 4.120 -0.000 0.000 0.286 112 V C 0.656 176.785 176.094 0.058 0.000 1.034 112 V CA -0.261 62.067 62.300 0.047 0.000 0.893 112 V CB 1.516 33.362 31.823 0.037 0.000 0.982 112 V HN 1.016 nan 8.190 nan 0.000 0.452 113 A N 3.862 126.710 122.820 0.047 0.000 2.306 113 A HA 0.859 5.179 4.320 -0.000 0.000 0.314 113 A C 0.041 177.643 177.584 0.030 0.000 1.164 113 A CA -0.355 51.714 52.037 0.054 0.000 0.822 113 A CB 0.897 19.921 19.000 0.039 0.000 1.130 113 A HN 0.774 nan 8.150 nan 0.000 0.496 114 T N 0.987 115.567 114.554 0.044 0.000 2.971 114 T HA 0.621 4.971 4.350 -0.000 0.000 0.304 114 T C 0.103 174.721 174.700 -0.136 0.000 1.038 114 T CA -0.049 62.019 62.100 -0.053 0.000 1.007 114 T CB 1.805 70.664 68.868 -0.015 0.000 1.055 114 T HN 1.090 nan 8.240 nan 0.000 0.451 115 G N 1.062 109.680 108.800 -0.304 0.000 2.410 115 G HA2 0.646 4.606 3.960 -0.000 0.000 0.330 115 G HA3 0.646 4.606 3.960 -0.000 0.000 0.330 115 G C -1.739 172.759 174.900 -0.670 0.000 1.142 115 G CA -0.518 44.390 45.100 -0.320 0.000 0.902 115 G HN 0.626 nan 8.290 nan 0.000 0.491 116 Y N 0.452 120.558 120.300 -0.322 0.000 2.322 116 Y HA 0.400 4.950 4.550 -0.000 0.000 0.324 116 Y C -0.980 174.861 175.900 -0.098 0.000 1.027 116 Y CA -0.978 56.925 58.100 -0.328 0.000 1.179 116 Y CB 2.073 40.114 38.460 -0.700 0.000 1.136 116 Y HN 0.511 nan 8.280 nan 0.000 0.449 117 F N 5.105 125.024 119.950 -0.051 0.000 2.427 117 F HA 0.644 5.171 4.527 -0.000 0.000 0.348 117 F C -1.808 174.076 175.800 0.139 0.000 1.125 117 F CA -2.351 55.722 58.000 0.122 0.000 0.989 117 F CB 0.400 39.484 39.000 0.139 0.000 1.165 117 F HN 0.230 nan 8.300 nan 0.000 0.442 118 F N 4.886 124.916 119.950 0.132 0.000 2.334 118 F HA 0.260 4.787 4.527 -0.000 0.000 0.367 118 F C 0.745 176.418 175.800 -0.211 0.000 1.115 118 F CA -0.775 57.243 58.000 0.030 0.000 1.116 118 F CB 0.500 39.580 39.000 0.135 0.000 1.230 118 F HN 0.447 nan 8.300 nan 0.000 0.484 119 N N 2.611 121.160 118.700 -0.253 0.000 2.971 119 N HA 0.034 4.774 4.740 -0.000 0.000 0.294 119 N C -0.877 174.793 175.510 0.266 0.000 1.210 119 N CA 0.175 53.205 53.050 -0.033 0.000 1.157 119 N CB 0.071 38.624 38.487 0.109 0.000 1.450 119 N HN 0.417 nan 8.380 nan 0.000 0.527 120 S N 0.449 116.368 115.700 0.366 0.000 2.571 120 S HA 0.673 5.143 4.470 -0.000 0.000 0.284 120 S C 0.070 174.846 174.600 0.293 0.000 1.128 120 S CA -0.623 57.740 58.200 0.271 0.000 0.970 120 S CB 1.090 64.413 63.200 0.204 0.000 1.039 120 S HN 0.366 nan 8.310 nan 0.000 0.485 121 A N 3.196 126.050 122.820 0.057 0.000 2.415 121 A HA 0.467 4.787 4.320 -0.000 0.000 0.248 121 A C 0.945 178.541 177.584 0.020 0.000 1.299 121 A CA 0.068 52.030 52.037 -0.124 0.000 0.899 121 A CB -0.623 18.087 19.000 -0.483 0.000 0.997 121 A HN 1.006 nan 8.150 nan 0.000 0.506 122 S N -0.510 115.246 115.700 0.094 0.000 2.671 122 S HA 0.318 4.788 4.470 -0.000 0.000 0.272 122 S C 0.335 175.052 174.600 0.194 0.000 1.174 122 S CA -0.580 57.692 58.200 0.120 0.000 1.004 122 S CB 0.410 63.648 63.200 0.062 0.000 1.077 122 S HN 0.283 nan 8.310 nan 0.000 0.553 123 K N 1.378 121.854 120.400 0.127 0.000 2.121 123 K HA 0.255 4.575 4.320 -0.000 0.000 0.235 123 K C -0.958 175.641 176.600 -0.002 0.000 1.200 123 K CA -0.315 55.988 56.287 0.028 0.000 1.115 123 K CB -0.868 31.396 32.500 -0.394 0.000 1.474 123 K HN 0.448 nan 8.250 nan 0.000 0.295 124 V N 5.180 125.138 119.914 0.074 0.000 2.555 124 V HA 0.089 4.209 4.120 -0.000 0.000 0.286 124 V C 0.479 176.545 176.094 -0.046 0.000 1.044 124 V CA -0.381 61.898 62.300 -0.034 0.000 1.026 124 V CB 0.895 32.724 31.823 0.010 0.000 0.981 124 V HN 0.492 nan 8.190 nan 0.000 0.480 125 I N 5.223 125.666 120.570 -0.211 0.000 2.354 125 I HA 0.405 4.574 4.170 -0.000 0.000 0.292 125 I C -0.487 175.442 176.117 -0.312 0.000 0.989 125 I CA -0.412 60.802 61.300 -0.144 0.000 1.188 125 I CB 1.080 38.992 38.000 -0.146 0.000 1.342 125 I HN 0.418 nan 8.210 nan 0.000 0.457 126 F N 4.086 123.993 119.950 -0.072 0.000 2.311 126 F HA 0.235 4.762 4.527 -0.000 0.000 0.371 126 F C 0.755 176.507 175.800 -0.080 0.000 1.083 126 F CA -0.644 57.291 58.000 -0.108 0.000 1.113 126 F CB 0.712 39.661 39.000 -0.084 0.000 1.349 126 F HN 0.374 nan 8.300 nan 0.000 0.470 127 D N 4.055 124.432 120.400 -0.039 0.000 2.441 127 D HA 0.143 4.783 4.640 -0.000 0.000 0.221 127 D C -0.528 175.713 176.300 -0.097 0.000 1.156 127 D CA 0.033 53.986 54.000 -0.078 0.000 0.896 127 D CB 1.101 41.832 40.800 -0.114 0.000 1.028 127 D HN 0.160 nan 8.370 nan 0.000 0.509 128 V N 3.520 123.390 119.914 -0.073 0.000 2.267 128 V HA 0.307 4.427 4.120 -0.000 0.000 0.254 128 V C 1.430 177.432 176.094 -0.153 0.000 1.144 128 V CA -0.106 62.116 62.300 -0.130 0.000 0.992 128 V CB 0.384 32.155 31.823 -0.087 0.000 1.199 128 V HN 0.796 nan 8.190 nan 0.000 0.493 129 G N 3.646 112.345 108.800 -0.168 0.000 2.246 129 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.273 129 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.273 129 G C 0.463 175.282 174.900 -0.136 0.000 1.055 129 G CA 0.581 45.565 45.100 -0.194 0.000 0.851 129 G HN 0.547 nan 8.290 nan 0.000 0.500 130 L N -0.843 120.320 121.223 -0.100 0.000 2.541 130 L HA 0.356 4.696 4.340 -0.000 0.000 0.187 130 L C 2.311 179.155 176.870 -0.043 0.000 1.098 130 L CA 1.658 56.456 54.840 -0.072 0.000 0.846 130 L CB -0.403 41.587 42.059 -0.116 0.000 1.151 130 L HN 0.442 nan 8.230 nan 0.000 0.492 131 E N 0.102 120.266 120.200 -0.060 0.000 2.047 131 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 131 E C -0.232 176.354 176.600 -0.024 0.000 0.987 131 E CA 0.896 57.267 56.400 -0.048 0.000 0.799 131 E CB 0.429 30.090 29.700 -0.065 0.000 0.752 131 E HN 0.256 nan 8.360 nan 0.000 0.449 132 E N -0.284 119.901 120.200 -0.025 0.000 2.220 132 E HA 0.025 4.375 4.350 -0.000 0.000 0.256 132 E C -0.514 176.102 176.600 0.025 0.000 0.881 132 E CA -0.479 55.924 56.400 0.005 0.000 0.766 132 E CB 1.082 30.772 29.700 -0.017 0.000 1.187 132 E HN 0.230 nan 8.360 nan 0.000 0.419 133 Y N 3.179 123.444 120.300 -0.057 0.000 2.228 133 Y HA -0.258 4.292 4.550 -0.000 0.000 0.285 133 Y C 1.241 177.106 175.900 -0.058 0.000 1.178 133 Y CA 2.478 60.544 58.100 -0.056 0.000 1.202 133 Y CB 0.467 38.899 38.460 -0.047 0.000 0.974 133 Y HN 0.408 nan 8.280 nan 0.000 0.527 134 D N -1.018 119.403 120.400 0.035 0.000 2.525 134 D HA 0.166 4.805 4.640 -0.000 0.000 0.229 134 D C -0.382 175.879 176.300 -0.066 0.000 1.202 134 D CA -0.043 53.938 54.000 -0.032 0.000 0.828 134 D CB -0.077 40.748 40.800 0.042 0.000 1.008 134 D HN 0.236 nan 8.370 nan 0.000 0.493 135 K N -0.542 119.804 120.400 -0.090 0.000 2.508 135 K HA 0.518 4.838 4.320 -0.000 0.000 0.260 135 K C -1.480 175.043 176.600 -0.128 0.000 0.949 135 K CA -0.963 55.268 56.287 -0.093 0.000 0.834 135 K CB 3.209 35.669 32.500 -0.067 0.000 1.365 135 K HN -0.207 nan 8.250 nan 0.000 0.437 136 V N 3.524 123.358 119.914 -0.135 0.000 2.350 136 V HA 0.429 4.549 4.120 -0.000 0.000 0.285 136 V C -0.548 175.456 176.094 -0.151 0.000 1.014 136 V CA -0.649 61.544 62.300 -0.178 0.000 0.831 136 V CB 0.904 32.584 31.823 -0.238 0.000 1.000 136 V HN 0.563 nan 8.190 nan 0.000 0.433 137 I N 5.395 125.868 120.570 -0.162 0.000 2.362 137 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 137 I C -0.533 175.421 176.117 -0.271 0.000 0.994 137 I CA -0.772 60.421 61.300 -0.179 0.000 1.158 137 I CB 1.985 39.898 38.000 -0.145 0.000 1.315 137 I HN 0.249 nan 8.210 nan 0.000 0.451 138 V N 5.136 124.824 119.914 -0.376 0.000 2.384 138 V HA 0.381 4.501 4.120 -0.000 0.000 0.287 138 V C 0.031 175.806 176.094 -0.532 0.000 1.020 138 V CA -0.364 61.535 62.300 -0.667 0.000 0.850 138 V CB 1.726 32.877 31.823 -1.121 0.000 0.987 138 V HN 0.720 nan 8.190 nan 0.000 0.436 139 T N 6.396 120.666 114.554 -0.475 0.000 2.770 139 T HA 0.651 5.001 4.350 -0.000 0.000 0.283 139 T C -0.424 174.096 174.700 -0.299 0.000 0.988 139 T CA -0.165 61.747 62.100 -0.312 0.000 0.957 139 T CB 0.922 69.659 68.868 -0.218 0.000 0.930 139 T HN 0.311 nan 8.240 nan 0.000 0.443 140 I N 6.132 126.570 120.570 -0.220 0.000 2.330 140 I HA 0.303 4.472 4.170 -0.000 0.000 0.289 140 I C -1.825 174.244 176.117 -0.080 0.000 1.001 140 I CA -2.565 58.654 61.300 -0.135 0.000 1.193 140 I CB 1.520 39.481 38.000 -0.066 0.000 1.345 140 I HN 0.333 nan 8.210 nan 0.000 0.461 141 P HA 0.090 nan 4.420 nan 0.000 0.238 141 P C -0.698 176.586 177.300 -0.027 0.000 1.714 141 P CA 0.265 63.332 63.100 -0.055 0.000 0.908 141 P CB -0.121 31.538 31.700 -0.068 0.000 1.893 142 E N 0.132 120.323 120.200 -0.014 0.000 2.413 142 E HA 0.091 4.441 4.350 -0.000 0.000 0.277 142 E C -0.161 176.444 176.600 0.009 0.000 0.958 142 E CA -0.589 55.814 56.400 0.005 0.000 0.779 142 E CB 1.223 30.942 29.700 0.032 0.000 1.278 142 E HN -0.045 nan 8.360 nan 0.000 0.456 143 D N -0.419 119.988 120.400 0.012 0.000 2.317 143 D HA -0.012 4.628 4.640 -0.000 0.000 0.211 143 D C 0.218 176.538 176.300 0.034 0.000 0.966 143 D CA 0.496 54.504 54.000 0.014 0.000 0.876 143 D CB 0.332 41.135 40.800 0.006 0.000 0.927 143 D HN 0.063 nan 8.370 nan 0.000 0.519 144 S N -1.207 114.524 115.700 0.051 0.000 2.599 144 S HA 0.720 5.190 4.470 -0.000 0.000 0.287 144 S C -1.266 173.394 174.600 0.099 0.000 1.105 144 S CA -0.797 57.447 58.200 0.074 0.000 0.899 144 S CB 2.638 65.883 63.200 0.076 0.000 1.100 144 S HN 0.081 nan 8.310 nan 0.000 0.482 145 V N 1.723 121.712 119.914 0.124 0.000 3.174 145 V HA 0.497 4.617 4.120 -0.000 0.000 0.280 145 V C -2.146 174.050 176.094 0.171 0.000 1.554 145 V CA -0.792 61.606 62.300 0.162 0.000 1.016 145 V CB 2.197 34.142 31.823 0.203 0.000 1.197 145 V HN 1.051 nan 8.190 nan 0.000 0.453 146 E N 4.679 124.962 120.200 0.138 0.000 2.199 146 E HA 0.750 5.099 4.350 -0.000 0.000 0.265 146 E C -1.339 175.261 176.600 -0.001 0.000 0.882 146 E CA -0.604 55.791 56.400 -0.008 0.000 0.759 146 E CB 2.078 31.727 29.700 -0.084 0.000 1.148 146 E HN 0.712 nan 8.360 nan 0.000 0.412 147 F N 0.387 120.138 119.950 -0.333 0.000 2.640 147 F HA 0.708 5.235 4.527 -0.000 0.000 0.324 147 F C -1.595 173.904 175.800 -0.502 0.000 1.077 147 F CA -1.459 56.284 58.000 -0.429 0.000 0.965 147 F CB 1.040 39.610 39.000 -0.717 0.000 1.351 147 F HN 0.300 nan 8.300 nan 0.000 0.487 148 Y N 0.351 120.572 120.300 -0.130 0.000 2.462 148 Y HA 0.667 5.217 4.550 -0.000 0.000 0.346 148 Y C -0.750 175.108 175.900 -0.070 0.000 0.976 148 Y CA -1.694 56.352 58.100 -0.090 0.000 1.044 148 Y CB 2.073 40.564 38.460 0.053 0.000 1.230 148 Y HN 0.548 nan 8.280 nan 0.000 0.455 149 V N 4.930 124.876 119.914 0.053 0.000 2.347 149 V HA 0.405 4.525 4.120 -0.000 0.000 0.280 149 V C -0.261 175.817 176.094 -0.028 0.000 1.021 149 V CA -0.714 61.511 62.300 -0.125 0.000 0.847 149 V CB 0.890 32.666 31.823 -0.078 0.000 0.990 149 V HN 0.577 nan 8.190 nan 0.000 0.444 150 I N 4.493 124.968 120.570 -0.158 0.000 2.328 150 I HA 0.384 4.554 4.170 -0.000 0.000 0.287 150 I C 0.292 176.355 176.117 -0.090 0.000 1.012 150 I CA -0.616 60.640 61.300 -0.074 0.000 1.195 150 I CB 1.165 39.128 38.000 -0.061 0.000 1.350 150 I HN 0.492 nan 8.210 nan 0.000 0.464 151 E N 4.040 124.228 120.200 -0.020 0.000 2.404 151 E HA 0.175 4.525 4.350 -0.000 0.000 0.261 151 E C 0.583 177.167 176.600 -0.026 0.000 1.074 151 E CA 0.057 56.453 56.400 -0.007 0.000 0.917 151 E CB 1.337 31.062 29.700 0.043 0.000 0.965 151 E HN 0.768 nan 8.360 nan 0.000 0.433 152 G N 2.061 110.848 108.800 -0.020 0.000 2.992 152 G HA2 0.038 3.998 3.960 -0.000 0.000 0.195 152 G HA3 0.038 3.998 3.960 -0.000 0.000 0.195 152 G C -1.404 173.482 174.900 -0.024 0.000 2.032 152 G CA -0.062 45.022 45.100 -0.027 0.000 0.831 152 G HN 0.437 nan 8.290 nan 0.000 0.647 153 P HA 0.121 nan 4.420 nan 0.000 0.240 153 P C 0.314 177.598 177.300 -0.026 0.000 1.190 153 P CA 0.214 63.306 63.100 -0.012 0.000 0.781 153 P CB 0.420 32.119 31.700 -0.002 0.000 0.931 154 R N -0.213 120.253 120.500 -0.057 0.000 2.500 154 R HA 0.342 4.682 4.340 -0.000 0.000 0.275 154 R C 1.725 177.947 176.300 -0.131 0.000 1.051 154 R CA -0.611 55.426 56.100 -0.105 0.000 1.088 154 R CB 0.908 31.118 30.300 -0.150 0.000 1.063 154 R HN -0.024 nan 8.270 nan 0.000 0.511 155 I N 1.247 121.708 120.570 -0.183 0.000 2.264 155 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 155 I C 2.395 178.373 176.117 -0.232 0.000 1.111 155 I CA 1.477 62.673 61.300 -0.173 0.000 1.382 155 I CB -0.212 37.683 38.000 -0.175 0.000 1.060 155 I HN 0.743 nan 8.210 nan 0.000 0.418 156 E N 1.023 120.967 120.200 -0.427 0.000 2.153 156 E HA -0.248 4.101 4.350 -0.000 0.000 0.194 156 E C 1.560 178.102 176.600 -0.096 0.000 0.988 156 E CA 1.375 57.603 56.400 -0.288 0.000 0.811 156 E CB 0.110 29.560 29.700 -0.417 0.000 0.746 156 E HN 0.450 nan 8.360 nan 0.000 0.466 157 D N -0.044 120.295 120.400 -0.101 0.000 2.144 157 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 157 D C 2.065 178.345 176.300 -0.033 0.000 0.978 157 D CA 0.877 54.849 54.000 -0.048 0.000 0.833 157 D CB -0.081 40.688 40.800 -0.052 0.000 0.961 157 D HN 0.142 nan 8.370 nan 0.000 0.470 158 V N 1.479 121.366 119.914 -0.044 0.000 2.295 158 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 158 V C 2.681 178.770 176.094 -0.009 0.000 1.049 158 V CA 1.125 63.402 62.300 -0.038 0.000 1.024 158 V CB -0.475 31.317 31.823 -0.051 0.000 0.648 158 V HN 0.183 nan 8.190 nan 0.000 0.447 159 L N -0.416 120.814 121.223 0.011 0.000 2.141 159 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 159 L C 2.576 179.483 176.870 0.062 0.000 1.094 159 L CA 1.475 56.349 54.840 0.056 0.000 0.763 159 L CB -0.597 41.519 42.059 0.094 0.000 0.908 159 L HN 0.428 nan 8.230 nan 0.000 0.437 160 E N 0.295 120.525 120.200 0.051 0.000 2.047 160 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 160 E C 2.182 178.749 176.600 -0.056 0.000 0.987 160 E CA 1.079 57.486 56.400 0.013 0.000 0.799 160 E CB 0.021 29.745 29.700 0.041 0.000 0.752 160 E HN 0.436 nan 8.360 nan 0.000 0.449 161 K N 0.231 120.602 120.400 -0.050 0.000 2.057 161 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 161 K C 2.203 178.715 176.600 -0.148 0.000 1.049 161 K CA 1.321 57.554 56.287 -0.090 0.000 0.931 161 K CB -0.333 32.127 32.500 -0.068 0.000 0.714 161 K HN 0.152 nan 8.250 nan 0.000 0.440 162 Y N 2.308 122.466 120.300 -0.237 0.000 2.128 162 Y HA -0.255 4.294 4.550 -0.000 0.000 0.284 162 Y C 2.226 177.881 175.900 -0.409 0.000 1.154 162 Y CA 1.883 59.767 58.100 -0.359 0.000 1.149 162 Y CB -0.569 37.680 38.460 -0.352 0.000 0.976 162 Y HN -0.045 nan 8.280 nan 0.000 0.505 163 T N -0.067 114.272 114.554 -0.359 0.000 2.821 163 T HA -0.188 4.161 4.350 -0.000 0.000 0.267 163 T C 1.601 176.054 174.700 -0.410 0.000 1.046 163 T CA 1.523 63.369 62.100 -0.423 0.000 1.139 163 T CB -0.265 68.471 68.868 -0.219 0.000 0.871 163 T HN 0.404 nan 8.240 nan 0.000 0.454 164 E N 1.018 121.032 120.200 -0.311 0.000 2.077 164 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 164 E C 2.017 178.429 176.600 -0.314 0.000 0.989 164 E CA 0.842 57.090 56.400 -0.253 0.000 0.800 164 E CB -0.480 29.110 29.700 -0.182 0.000 0.746 164 E HN 0.384 nan 8.360 nan 0.000 0.452 165 L N 0.179 121.139 121.223 -0.438 0.000 2.005 165 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 165 L C 2.310 178.760 176.870 -0.700 0.000 1.072 165 L CA 2.152 56.679 54.840 -0.521 0.000 0.744 165 L CB -0.679 40.988 42.059 -0.654 0.000 0.895 165 L HN 0.453 nan 8.230 nan 0.000 0.433 166 T N -3.280 110.634 114.554 -1.068 0.000 3.067 166 T HA 0.322 4.672 4.350 -0.000 0.000 0.257 166 T C 0.752 175.122 174.700 -0.551 0.000 1.105 166 T CA 0.376 61.766 62.100 -1.183 0.000 1.104 166 T CB 0.370 68.283 68.868 -1.591 0.000 0.925 166 T HN 0.531 nan 8.240 nan 0.000 0.498 167 G N 1.206 109.717 108.800 -0.482 0.000 2.653 167 G HA2 0.197 4.156 3.960 -0.000 0.000 0.656 167 G HA3 0.197 4.156 3.960 -0.000 0.000 0.656 167 G C -1.259 173.437 174.900 -0.339 0.000 1.419 167 G CA -1.203 43.691 45.100 -0.343 0.000 0.862 167 G HN 0.241 nan 8.290 nan 0.000 0.639 168 K N 1.414 121.658 120.400 -0.260 0.000 2.237 168 K HA 0.425 4.745 4.320 -0.000 0.000 0.270 168 K C -2.261 174.214 176.600 -0.208 0.000 1.015 168 K CA -1.534 54.619 56.287 -0.224 0.000 0.949 168 K CB 1.079 33.481 32.500 -0.164 0.000 0.976 168 K HN 0.254 nan 8.250 nan 0.000 0.472 169 P HA 0.013 nan 4.420 nan 0.000 0.271 169 P C -0.338 176.985 177.300 0.038 0.000 1.216 169 P CA -0.230 62.779 63.100 -0.151 0.000 0.776 169 P CB 0.182 31.646 31.700 -0.395 0.000 0.881 170 F N 2.575 122.517 119.950 -0.013 0.000 2.444 170 F HA 0.374 4.901 4.527 -0.000 0.000 0.331 170 F C -0.305 175.647 175.800 0.254 0.000 1.167 170 F CA -1.268 56.798 58.000 0.111 0.000 1.262 170 F CB -0.242 38.875 39.000 0.196 0.000 1.196 170 F HN 0.068 nan 8.300 nan 0.000 0.583 171 L N 5.665 126.936 121.223 0.081 0.000 2.255 171 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 171 L C -2.375 174.462 176.870 -0.055 0.000 1.046 171 L CA -2.329 52.477 54.840 -0.056 0.000 0.816 171 L CB 0.146 42.221 42.059 0.025 0.000 1.197 171 L HN 0.571 nan 8.230 nan 0.000 0.427 172 P HA 0.443 nan 4.420 nan 0.000 0.278 172 P C -2.931 174.447 177.300 0.130 0.000 1.266 172 P CA -1.799 61.281 63.100 -0.033 0.000 0.807 172 P CB 0.328 31.950 31.700 -0.131 0.000 1.094 173 P HA 0.136 nan 4.420 nan 0.000 0.274 173 P C 1.060 178.176 177.300 -0.308 0.000 1.231 173 P CA -0.283 62.687 63.100 -0.218 0.000 0.790 173 P CB 0.835 32.189 31.700 -0.578 0.000 0.951 174 M N 2.615 121.903 119.600 -0.519 0.000 2.202 174 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 174 M C 1.655 177.869 176.300 -0.142 0.000 1.063 174 M CA 1.850 56.679 55.300 -0.785 0.000 1.097 174 M CB -0.474 31.506 32.600 -1.032 0.000 1.382 174 M HN 0.475 nan 8.290 nan 0.000 0.413 175 W N -0.231 121.047 121.300 -0.037 0.000 2.525 175 W HA 0.050 4.710 4.660 -0.000 0.000 0.259 175 W C 1.488 178.006 176.519 -0.001 0.000 1.253 175 W CA 0.659 58.014 57.345 0.017 0.000 1.262 175 W CB -1.182 28.275 29.460 -0.006 0.000 1.122 175 W HN 0.337 nan 8.180 nan 0.000 0.607 176 A N 0.570 123.152 122.820 -0.397 0.000 2.121 176 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 176 A C 1.253 178.665 177.584 -0.285 0.000 1.154 176 A CA 0.749 52.451 52.037 -0.558 0.000 0.679 176 A CB -1.117 17.441 19.000 -0.736 0.000 0.795 176 A HN 0.273 nan 8.150 nan 0.000 0.458 177 F N -0.374 119.605 119.950 0.049 0.000 2.664 177 F HA 0.314 4.841 4.527 -0.000 0.000 0.303 177 F C 1.614 177.455 175.800 0.068 0.000 1.092 177 F CA -0.325 57.760 58.000 0.142 0.000 1.305 177 F CB -0.198 38.864 39.000 0.104 0.000 1.054 177 F HN 0.182 nan 8.300 nan 0.000 0.565 178 G N -1.039 107.902 108.800 0.236 0.000 2.563 178 G HA2 0.063 4.023 3.960 -0.000 0.000 0.283 178 G HA3 0.063 4.023 3.960 -0.000 0.000 0.283 178 G C -1.377 173.673 174.900 0.250 0.000 1.309 178 G CA -0.346 44.874 45.100 0.200 0.000 1.022 178 G HN 0.097 nan 8.290 nan 0.000 0.501 179 Y N 1.255 121.673 120.300 0.197 0.000 2.480 179 Y HA 0.421 4.971 4.550 -0.000 0.000 0.341 179 Y C 0.023 176.058 175.900 0.224 0.000 1.031 179 Y CA -1.143 57.132 58.100 0.292 0.000 1.295 179 Y CB 0.305 39.014 38.460 0.415 0.000 1.162 179 Y HN 0.078 nan 8.280 nan 0.000 0.523 180 M N 8.951 128.509 119.600 -0.071 0.000 2.336 180 M HA 0.405 4.885 4.480 -0.000 0.000 0.342 180 M C -0.508 175.565 176.300 -0.378 0.000 1.128 180 M CA -0.768 54.431 55.300 -0.167 0.000 1.016 180 M CB 1.316 33.886 32.600 -0.050 0.000 1.665 180 M HN 0.663 nan 8.290 nan 0.000 0.445 181 I N -0.442 119.996 120.570 -0.220 0.000 2.493 181 I HA 0.880 5.050 4.170 -0.000 0.000 0.298 181 I C -0.242 175.991 176.117 0.193 0.000 0.998 181 I CA -0.386 60.855 61.300 -0.099 0.000 1.137 181 I CB 2.077 40.028 38.000 -0.081 0.000 1.310 181 I HN 0.690 nan 8.210 nan 0.000 0.445 182 S N 4.373 120.214 115.700 0.235 0.000 2.615 182 S HA 0.745 5.215 4.470 -0.000 0.000 0.269 182 S C -1.105 173.555 174.600 0.099 0.000 1.161 182 S CA -0.756 57.608 58.200 0.274 0.000 0.817 182 S CB 2.140 65.291 63.200 -0.083 0.000 1.131 182 S HN 0.987 nan 8.310 nan 0.000 0.467 183 R N 0.556 121.052 120.500 -0.008 0.000 2.741 183 R HA 0.348 4.688 4.340 -0.000 0.000 0.276 183 R C -2.406 174.012 176.300 0.198 0.000 1.028 183 R CA -0.580 55.391 56.100 -0.215 0.000 0.865 183 R CB 0.890 30.605 30.300 -0.974 0.000 1.268 183 R HN 0.691 nan 8.270 nan 0.000 0.475 184 Y N 1.771 122.074 120.300 0.005 0.000 2.919 184 Y HA 0.576 5.126 4.550 -0.000 0.000 0.341 184 Y C -1.631 174.315 175.900 0.076 0.000 1.045 184 Y CA -0.522 57.704 58.100 0.211 0.000 1.218 184 Y CB 0.430 39.075 38.460 0.308 0.000 1.137 184 Y HN 0.530 nan 8.280 nan 0.000 0.577 185 S N 2.508 118.225 115.700 0.029 0.000 2.685 185 S HA 0.539 5.009 4.470 -0.000 0.000 0.282 185 S C -1.910 172.861 174.600 0.287 0.000 1.159 185 S CA -0.630 57.735 58.200 0.275 0.000 0.833 185 S CB 1.293 64.783 63.200 0.482 0.000 1.151 185 S HN 0.231 nan 8.310 nan 0.000 0.485 186 Y N 1.911 122.506 120.300 0.492 0.000 2.326 186 Y HA 0.644 5.194 4.550 -0.000 0.000 0.337 186 Y C -0.210 176.062 175.900 0.619 0.000 1.023 186 Y CA -0.628 57.707 58.100 0.391 0.000 1.143 186 Y CB 0.516 39.169 38.460 0.322 0.000 1.183 186 Y HN 0.699 nan 8.280 nan 0.000 0.485 187 Y N 2.284 122.790 120.300 0.343 0.000 2.841 187 Y HA 0.559 5.108 4.550 -0.000 0.000 0.373 187 Y C -3.330 172.595 175.900 0.042 0.000 1.170 187 Y CA -2.712 55.523 58.100 0.226 0.000 1.196 187 Y CB 0.044 38.734 38.460 0.383 0.000 1.433 187 Y HN 0.325 nan 8.280 nan 0.000 0.479 188 P HA 0.095 nan 4.420 nan 0.000 0.286 188 P C 0.306 177.368 177.300 -0.395 0.000 1.293 188 P CA 0.188 63.182 63.100 -0.177 0.000 0.770 188 P CB 0.946 32.564 31.700 -0.136 0.000 1.206 189 Q N -0.395 118.895 119.800 -0.851 0.000 2.197 189 Q HA -0.223 4.117 4.340 -0.000 0.000 0.207 189 Q C 0.950 176.829 176.000 -0.201 0.000 0.984 189 Q CA 1.874 57.358 55.803 -0.531 0.000 0.869 189 Q CB -0.678 27.762 28.738 -0.495 0.000 0.906 189 Q HN 0.299 nan 8.270 nan 0.000 0.426 190 D N 0.918 121.212 120.400 -0.178 0.000 2.144 190 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 190 D C 1.761 178.011 176.300 -0.084 0.000 0.978 190 D CA 0.922 54.857 54.000 -0.108 0.000 0.833 190 D CB -0.015 40.731 40.800 -0.090 0.000 0.961 190 D HN 0.219 nan 8.370 nan 0.000 0.470 191 K N 0.672 121.021 120.400 -0.085 0.000 2.148 191 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 191 K C 2.205 178.767 176.600 -0.064 0.000 1.050 191 K CA 0.199 56.448 56.287 -0.064 0.000 0.942 191 K CB -0.390 32.069 32.500 -0.068 0.000 0.724 191 K HN 0.097 nan 8.250 nan 0.000 0.446 192 V N 1.088 120.982 119.914 -0.034 0.000 2.343 192 V HA -0.205 3.914 4.120 -0.000 0.000 0.247 192 V C 2.454 178.501 176.094 -0.079 0.000 1.051 192 V CA 1.456 63.735 62.300 -0.035 0.000 1.036 192 V CB -0.409 31.482 31.823 0.114 0.000 0.654 192 V HN -0.028 nan 8.190 nan 0.000 0.451 193 V N -0.315 119.563 119.914 -0.061 0.000 2.453 193 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 193 V C 2.356 178.409 176.094 -0.069 0.000 1.048 193 V CA 1.759 64.020 62.300 -0.065 0.000 1.049 193 V CB -0.669 31.116 31.823 -0.062 0.000 0.672 193 V HN 0.593 nan 8.190 nan 0.000 0.457 194 E N 0.061 120.222 120.200 -0.066 0.000 2.058 194 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 194 E C 2.143 178.703 176.600 -0.067 0.000 0.997 194 E CA 1.499 57.866 56.400 -0.055 0.000 0.801 194 E CB -0.253 29.423 29.700 -0.041 0.000 0.746 194 E HN 0.408 nan 8.360 nan 0.000 0.450 195 L N 0.651 121.816 121.223 -0.097 0.000 2.017 195 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 195 L C 2.222 179.008 176.870 -0.139 0.000 1.073 195 L CA 1.372 56.131 54.840 -0.136 0.000 0.745 195 L CB -0.353 41.561 42.059 -0.242 0.000 0.894 195 L HN -0.045 nan 8.230 nan 0.000 0.432 196 V N -0.097 119.741 119.914 -0.128 0.000 2.343 196 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 196 V C 2.319 178.380 176.094 -0.054 0.000 1.051 196 V CA 1.952 64.199 62.300 -0.088 0.000 1.036 196 V CB -0.786 30.992 31.823 -0.075 0.000 0.654 196 V HN 0.471 nan 8.190 nan 0.000 0.451 197 D N 0.030 120.397 120.400 -0.054 0.000 2.097 197 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 197 D C 2.089 178.371 176.300 -0.030 0.000 0.989 197 D CA 1.432 55.410 54.000 -0.037 0.000 0.827 197 D CB -0.160 40.618 40.800 -0.038 0.000 0.966 197 D HN 0.403 nan 8.370 nan 0.000 0.456 198 I N 0.506 121.046 120.570 -0.051 0.000 2.226 198 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 198 I C 2.477 178.577 176.117 -0.028 0.000 1.100 198 I CA 0.667 61.933 61.300 -0.058 0.000 1.374 198 I CB -0.207 37.724 38.000 -0.116 0.000 1.057 198 I HN 0.002 nan 8.210 nan 0.000 0.413 199 M N 0.208 119.787 119.600 -0.034 0.000 2.065 199 M HA -0.246 4.234 4.480 -0.000 0.000 0.259 199 M C 2.363 178.772 176.300 0.181 0.000 1.069 199 M CA 1.977 57.317 55.300 0.065 0.000 1.110 199 M CB -1.131 31.481 32.600 0.020 0.000 1.328 199 M HN 0.335 nan 8.290 nan 0.000 0.405 200 Q N -0.396 119.457 119.800 0.088 0.000 2.079 200 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 200 Q C 2.105 178.129 176.000 0.040 0.000 0.974 200 Q CA 1.317 57.160 55.803 0.068 0.000 0.840 200 Q CB -0.279 28.473 28.738 0.023 0.000 0.898 200 Q HN 0.484 nan 8.270 nan 0.000 0.430 201 K N 1.306 121.722 120.400 0.026 0.000 2.097 201 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 201 K C 1.157 177.766 176.600 0.015 0.000 1.049 201 K CA 1.201 57.493 56.287 0.009 0.000 0.933 201 K CB 0.146 32.645 32.500 -0.001 0.000 0.717 201 K HN 0.167 nan 8.250 nan 0.000 0.442 202 E N -0.957 119.279 120.200 0.060 0.000 2.445 202 E HA 0.039 4.389 4.350 -0.000 0.000 0.189 202 E C 0.397 176.966 176.600 -0.051 0.000 1.069 202 E CA 0.341 56.779 56.400 0.063 0.000 0.871 202 E CB 0.457 30.260 29.700 0.171 0.000 0.991 202 E HN 0.628 nan 8.360 nan 0.000 0.481 203 G N 1.098 109.856 108.800 -0.070 0.000 2.157 203 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.239 203 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.239 203 G C -0.102 174.615 174.900 -0.305 0.000 0.982 203 G CA -0.425 44.547 45.100 -0.213 0.000 0.650 203 G HN 0.194 nan 8.290 nan 0.000 0.527 204 F N 1.120 121.088 119.950 0.031 0.000 2.411 204 F HA 0.531 5.058 4.527 -0.000 0.000 0.355 204 F C 1.085 176.959 175.800 0.122 0.000 1.117 204 F CA -0.738 57.327 58.000 0.107 0.000 1.139 204 F CB 1.134 40.246 39.000 0.187 0.000 1.120 204 F HN 0.034 nan 8.300 nan 0.000 0.493 205 R N 3.631 124.282 120.500 0.251 0.000 2.272 205 R HA 0.407 4.747 4.340 -0.000 0.000 0.334 205 R C -1.390 175.118 176.300 0.347 0.000 1.117 205 R CA -0.232 55.936 56.100 0.114 0.000 0.966 205 R CB 0.225 30.349 30.300 -0.292 0.000 1.049 205 R HN 0.523 nan 8.270 nan 0.000 0.477 206 V N 5.080 125.138 119.914 0.241 0.000 2.383 206 V HA 0.211 4.331 4.120 -0.000 0.000 0.275 206 V C 1.016 177.192 176.094 0.138 0.000 1.036 206 V CA 0.011 62.423 62.300 0.187 0.000 0.889 206 V CB 1.180 33.038 31.823 0.058 0.000 0.985 206 V HN 0.978 nan 8.190 nan 0.000 0.459 207 A N 4.012 126.948 122.820 0.193 0.000 1.935 207 A HA 0.587 4.907 4.320 -0.000 0.000 0.214 207 A C 1.092 178.693 177.584 0.028 0.000 1.178 207 A CA 1.053 53.188 52.037 0.163 0.000 0.640 207 A CB -0.037 19.142 19.000 0.299 0.000 0.825 207 A HN 1.132 nan 8.150 nan 0.000 0.447 208 G N -1.864 106.954 108.800 0.029 0.000 2.601 208 G HA2 0.530 4.490 3.960 -0.000 0.000 0.291 208 G HA3 0.530 4.490 3.960 -0.000 0.000 0.291 208 G C -1.208 173.723 174.900 0.053 0.000 1.456 208 G CA 0.135 45.216 45.100 -0.031 0.000 0.804 208 G HN 1.158 nan 8.290 nan 0.000 0.499 209 V N -1.949 117.992 119.914 0.046 0.000 2.680 209 V HA 0.892 5.012 4.120 -0.000 0.000 0.309 209 V C -1.170 175.062 176.094 0.229 0.000 1.052 209 V CA -1.303 61.116 62.300 0.198 0.000 0.908 209 V CB 1.552 33.457 31.823 0.137 0.000 1.001 209 V HN 0.526 nan 8.190 nan 0.000 0.431 210 F N 3.942 123.994 119.950 0.170 0.000 2.421 210 F HA 0.739 5.266 4.527 -0.000 0.000 0.337 210 F C -0.130 175.904 175.800 0.390 0.000 1.105 210 F CA -1.057 57.078 58.000 0.225 0.000 1.049 210 F CB 1.774 40.785 39.000 0.018 0.000 1.139 210 F HN 0.348 nan 8.300 nan 0.000 0.479 211 L N 4.034 125.573 121.223 0.527 0.000 2.276 211 L HA 0.321 4.661 4.340 -0.000 0.000 0.286 211 L C 0.061 177.332 176.870 0.668 0.000 1.024 211 L CA -0.282 54.872 54.840 0.523 0.000 0.826 211 L CB 0.457 42.643 42.059 0.211 0.000 1.211 211 L HN 0.517 nan 8.230 nan 0.000 0.422 212 D N 2.043 122.834 120.400 0.651 0.000 2.433 212 D HA 0.131 4.771 4.640 -0.000 0.000 0.255 212 D C 1.695 178.186 176.300 0.318 0.000 1.226 212 D CA -0.296 53.991 54.000 0.478 0.000 1.015 212 D CB 1.044 42.194 40.800 0.582 0.000 1.091 212 D HN 0.547 nan 8.370 nan 0.000 0.527 213 I N -0.710 119.902 120.570 0.070 0.000 2.597 213 I HA -0.290 3.880 4.170 -0.000 0.000 0.262 213 I C 1.157 177.182 176.117 -0.154 0.000 1.194 213 I CA 1.341 62.566 61.300 -0.124 0.000 1.437 213 I CB -0.542 37.398 38.000 -0.099 0.000 1.096 213 I HN 0.261 nan 8.210 nan 0.000 0.451 214 H N 0.532 119.583 119.070 -0.032 0.000 2.521 214 H HA -0.116 4.440 4.556 -0.000 0.000 0.286 214 H C 1.800 177.023 175.328 -0.174 0.000 1.034 214 H CA 1.886 57.796 56.048 -0.231 0.000 1.278 214 H CB -0.375 29.044 29.762 -0.571 0.000 1.386 214 H HN 0.788 nan 8.280 nan 0.000 0.567 215 Y N -0.850 119.438 120.300 -0.021 0.000 2.457 215 Y HA 0.113 4.663 4.550 -0.000 0.000 0.292 215 Y C 0.606 176.452 175.900 -0.089 0.000 1.125 215 Y CA -0.277 57.688 58.100 -0.225 0.000 1.254 215 Y CB -0.403 37.717 38.460 -0.568 0.000 1.012 215 Y HN -0.038 nan 8.280 nan 0.000 0.555 216 M N 1.344 120.586 119.600 -0.597 0.000 2.202 216 M HA 0.072 4.552 4.480 -0.000 0.000 0.316 216 M C -0.510 175.691 176.300 -0.166 0.000 1.138 216 M CA -0.228 54.799 55.300 -0.455 0.000 1.151 216 M CB 0.325 32.539 32.600 -0.644 0.000 1.422 216 M HN 0.081 nan 8.290 nan 0.000 0.471 217 D N 0.397 120.712 120.400 -0.142 0.000 2.380 217 D HA 0.197 4.837 4.640 -0.000 0.000 0.230 217 D C -0.415 175.735 176.300 -0.251 0.000 1.154 217 D CA 0.209 54.109 54.000 -0.167 0.000 0.859 217 D CB 0.284 41.029 40.800 -0.092 0.000 1.045 217 D HN 0.612 nan 8.370 nan 0.000 0.495 218 S N 2.995 118.492 115.700 -0.339 0.000 3.587 218 S HA -0.276 4.194 4.470 -0.000 0.000 0.337 218 S C 0.078 174.492 174.600 -0.310 0.000 1.119 218 S CA 0.698 58.681 58.200 -0.363 0.000 0.976 218 S CB -1.896 61.193 63.200 -0.184 0.000 0.922 218 S HN 0.643 nan 8.310 nan 0.000 0.503 219 Y N -2.322 117.871 120.300 -0.178 0.000 4.668 219 Y HA -0.250 4.300 4.550 -0.000 0.000 0.234 219 Y C 0.650 176.400 175.900 -0.250 0.000 1.056 219 Y CA 0.994 58.970 58.100 -0.207 0.000 2.025 219 Y CB -1.973 36.430 38.460 -0.095 0.000 1.613 219 Y HN 0.470 nan 8.280 nan 0.000 0.653 220 K N 1.437 121.699 120.400 -0.231 0.000 2.312 220 K HA 0.385 4.705 4.320 -0.000 0.000 0.287 220 K C 0.462 176.917 176.600 -0.242 0.000 1.062 220 K CA -0.521 55.570 56.287 -0.327 0.000 0.934 220 K CB 0.608 32.818 32.500 -0.482 0.000 1.027 220 K HN 0.140 nan 8.250 nan 0.000 0.478 221 L N 4.029 125.131 121.223 -0.201 0.000 2.543 221 L HA -0.052 4.288 4.340 -0.000 0.000 0.285 221 L C 0.105 176.687 176.870 -0.481 0.000 1.236 221 L CA 0.180 54.695 54.840 -0.541 0.000 0.871 221 L CB -0.395 41.264 42.059 -0.667 0.000 1.121 221 L HN 0.702 nan 8.230 nan 0.000 0.501 222 F N -0.077 119.497 119.950 -0.626 0.000 3.074 222 F HA -0.216 4.311 4.527 -0.000 0.000 0.287 222 F C 0.617 176.286 175.800 -0.219 0.000 0.932 222 F CA 0.871 58.391 58.000 -0.800 0.000 0.995 222 F CB -2.644 36.097 39.000 -0.431 0.000 0.966 222 F HN 0.716 nan 8.300 nan 0.000 0.721 223 T N -4.386 110.100 114.554 -0.112 0.000 2.864 223 T HA 0.723 5.073 4.350 -0.000 0.000 0.299 223 T C -0.870 173.862 174.700 0.054 0.000 1.166 223 T CA -0.997 61.173 62.100 0.117 0.000 1.007 223 T CB 2.026 70.959 68.868 0.107 0.000 1.219 223 T HN 0.189 nan 8.240 nan 0.000 0.506 224 W N 1.021 122.513 121.300 0.320 0.000 2.632 224 W HA 0.444 5.104 4.660 -0.000 0.000 0.328 224 W C 0.421 177.088 176.519 0.247 0.000 1.044 224 W CA -0.818 56.729 57.345 0.337 0.000 1.225 224 W CB 1.061 30.710 29.460 0.315 0.000 1.396 224 W HN 0.765 nan 8.180 nan 0.000 0.499 225 H N 6.082 125.427 119.070 0.458 0.000 3.046 225 H HA -0.009 4.547 4.556 -0.000 0.000 0.303 225 H C -1.250 174.245 175.328 0.278 0.000 1.002 225 H CA -0.620 55.611 56.048 0.305 0.000 1.460 225 H CB 1.216 31.184 29.762 0.344 0.000 1.493 225 H HN 0.197 nan 8.280 nan 0.000 0.559 226 P HA -0.184 nan 4.420 nan 0.000 0.219 226 P C 0.452 177.588 177.300 -0.274 0.000 1.146 226 P CA 1.437 64.412 63.100 -0.209 0.000 0.808 226 P CB 0.107 31.512 31.700 -0.492 0.000 0.779 227 Y N -0.399 120.160 120.300 0.430 0.000 2.522 227 Y HA 0.221 4.771 4.550 -0.000 0.000 0.277 227 Y C 2.768 178.839 175.900 0.285 0.000 1.104 227 Y CA 0.387 58.697 58.100 0.349 0.000 1.260 227 Y CB -0.459 38.212 38.460 0.352 0.000 1.151 227 Y HN -0.204 nan 8.280 nan 0.000 0.539 228 R N -1.048 119.754 120.500 0.503 0.000 2.173 228 R HA 0.107 4.447 4.340 -0.000 0.000 0.208 228 R C -0.410 175.838 176.300 -0.088 0.000 1.035 228 R CA 0.808 57.009 56.100 0.168 0.000 1.004 228 R CB 0.124 30.539 30.300 0.193 0.000 0.917 228 R HN 0.115 nan 8.270 nan 0.000 0.462 229 F N 0.608 120.734 119.950 0.294 0.000 2.566 229 F HA 0.295 4.822 4.527 -0.000 0.000 0.347 229 F C -1.774 174.067 175.800 0.067 0.000 1.515 229 F CA -2.235 55.878 58.000 0.189 0.000 1.103 229 F CB 1.567 40.796 39.000 0.382 0.000 1.385 229 F HN -0.143 nan 8.300 nan 0.000 0.560 230 P HA -0.145 nan 4.420 nan 0.000 0.220 230 P C -0.031 177.244 177.300 -0.042 0.000 1.148 230 P CA 1.389 64.504 63.100 0.025 0.000 0.803 230 P CB 0.464 32.165 31.700 0.001 0.000 0.782 231 E N 0.090 120.237 120.200 -0.089 0.000 3.568 231 E HA 0.153 4.503 4.350 -0.000 0.000 0.213 231 E C -1.768 174.685 176.600 -0.245 0.000 1.197 231 E CA -1.819 54.495 56.400 -0.144 0.000 1.126 231 E CB 0.924 30.560 29.700 -0.106 0.000 1.285 231 E HN 0.241 nan 8.360 nan 0.000 0.418 232 P HA -0.269 nan 4.420 nan 0.000 0.216 232 P C 1.325 178.327 177.300 -0.497 0.000 1.150 232 P CA 1.187 63.834 63.100 -0.756 0.000 0.843 232 P CB 0.390 31.099 31.700 -1.653 0.000 0.787 233 K N 0.728 120.921 120.400 -0.344 0.000 2.097 233 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 233 K C 2.363 178.850 176.600 -0.189 0.000 1.049 233 K CA 1.314 57.462 56.287 -0.232 0.000 0.933 233 K CB -0.197 32.207 32.500 -0.161 0.000 0.717 233 K HN -0.046 nan 8.250 nan 0.000 0.442 234 K N 0.621 120.915 120.400 -0.176 0.000 2.097 234 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 234 K C 2.166 178.678 176.600 -0.147 0.000 1.050 234 K CA 0.904 57.109 56.287 -0.137 0.000 0.938 234 K CB -0.069 32.362 32.500 -0.115 0.000 0.718 234 K HN 0.123 nan 8.250 nan 0.000 0.442 235 L N 1.631 122.748 121.223 -0.176 0.000 2.027 235 L HA -0.095 4.244 4.340 -0.000 0.000 0.206 235 L C 1.929 178.680 176.870 -0.198 0.000 1.074 235 L CA 1.501 56.250 54.840 -0.152 0.000 0.745 235 L CB -0.273 41.721 42.059 -0.107 0.000 0.898 235 L HN 0.196 nan 8.230 nan 0.000 0.433 236 I N -0.188 120.224 120.570 -0.264 0.000 2.226 236 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 236 I C 1.992 177.869 176.117 -0.399 0.000 1.100 236 I CA 1.436 62.502 61.300 -0.391 0.000 1.374 236 I CB -0.600 37.198 38.000 -0.337 0.000 1.057 236 I HN 0.308 nan 8.210 nan 0.000 0.413 237 D N 0.692 120.974 120.400 -0.196 0.000 2.144 237 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 237 D C 2.092 178.344 176.300 -0.080 0.000 0.978 237 D CA 1.080 55.028 54.000 -0.088 0.000 0.833 237 D CB -0.185 40.579 40.800 -0.059 0.000 0.961 237 D HN 0.440 nan 8.370 nan 0.000 0.470 238 E N 0.377 120.513 120.200 -0.107 0.000 2.077 238 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 238 E C 2.372 178.922 176.600 -0.083 0.000 0.989 238 E CA 0.521 56.872 56.400 -0.083 0.000 0.800 238 E CB -0.051 29.599 29.700 -0.084 0.000 0.746 238 E HN 0.276 nan 8.360 nan 0.000 0.452 239 L N -0.111 121.032 121.223 -0.133 0.000 2.109 239 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 239 L C 2.284 179.115 176.870 -0.064 0.000 1.086 239 L CA 1.158 55.923 54.840 -0.125 0.000 0.760 239 L CB -0.464 41.485 42.059 -0.183 0.000 0.910 239 L HN 0.217 nan 8.230 nan 0.000 0.437 240 H N -0.396 118.615 119.070 -0.099 0.000 2.423 240 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 240 H C 2.254 177.528 175.328 -0.089 0.000 1.075 240 H CA 1.005 56.987 56.048 -0.109 0.000 1.342 240 H CB 0.250 29.948 29.762 -0.106 0.000 1.395 240 H HN 0.209 nan 8.280 nan 0.000 0.530 241 K N 1.474 121.903 120.400 0.047 0.000 2.147 241 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 241 K C 1.537 178.130 176.600 -0.012 0.000 1.049 241 K CA 1.121 57.410 56.287 0.004 0.000 0.936 241 K CB 0.156 32.647 32.500 -0.014 0.000 0.722 241 K HN 0.222 nan 8.250 nan 0.000 0.446 242 R N 0.385 120.875 120.500 -0.017 0.000 2.334 242 R HA 0.089 4.429 4.340 -0.000 0.000 0.220 242 R C -0.107 176.176 176.300 -0.027 0.000 0.917 242 R CA 0.301 56.386 56.100 -0.025 0.000 1.073 242 R CB -0.403 29.878 30.300 -0.032 0.000 1.056 242 R HN 0.396 nan 8.270 nan 0.000 0.506 243 N N 0.327 119.012 118.700 -0.024 0.000 2.738 243 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 243 N C -1.397 174.074 175.510 -0.066 0.000 1.047 243 N CA -0.175 52.847 53.050 -0.047 0.000 0.707 243 N CB -0.248 38.208 38.487 -0.052 0.000 0.937 243 N HN -0.063 nan 8.380 nan 0.000 0.545 244 V N 1.516 121.399 119.914 -0.053 0.000 2.487 244 V HA 0.368 4.488 4.120 -0.000 0.000 0.298 244 V C 0.293 176.315 176.094 -0.119 0.000 1.028 244 V CA -0.809 61.441 62.300 -0.084 0.000 0.860 244 V CB 1.826 33.613 31.823 -0.061 0.000 0.991 244 V HN 0.083 nan 8.190 nan 0.000 0.427 245 K N 3.189 123.436 120.400 -0.254 0.000 2.168 245 K HA 0.502 4.822 4.320 -0.000 0.000 0.258 245 K C -0.663 175.803 176.600 -0.224 0.000 1.010 245 K CA -0.554 55.518 56.287 -0.359 0.000 0.929 245 K CB 1.575 33.568 32.500 -0.844 0.000 0.998 245 K HN 0.454 nan 8.250 nan 0.000 0.479 246 L N 2.665 123.781 121.223 -0.178 0.000 2.325 246 L HA 0.418 4.758 4.340 -0.000 0.000 0.281 246 L C -1.318 175.487 176.870 -0.107 0.000 1.004 246 L CA -0.479 54.284 54.840 -0.128 0.000 0.823 246 L CB 0.961 42.950 42.059 -0.115 0.000 1.236 246 L HN 0.415 nan 8.230 nan 0.000 0.415 247 I N 3.931 124.379 120.570 -0.202 0.000 2.406 247 I HA 0.555 4.725 4.170 -0.000 0.000 0.290 247 I C 0.103 176.223 176.117 0.005 0.000 0.999 247 I CA -0.096 61.087 61.300 -0.195 0.000 1.124 247 I CB 2.145 39.653 38.000 -0.820 0.000 1.289 247 I HN 0.714 nan 8.210 nan 0.000 0.441 248 T N 4.171 118.845 114.554 0.200 0.000 2.823 248 T HA 0.653 5.003 4.350 -0.000 0.000 0.279 248 T C -0.127 174.825 174.700 0.419 0.000 0.998 248 T CA -0.677 61.584 62.100 0.269 0.000 0.994 248 T CB 1.379 70.363 68.868 0.193 0.000 0.960 248 T HN 0.458 nan 8.240 nan 0.000 0.448 249 I N 2.772 123.616 120.570 0.458 0.000 2.638 249 I HA 0.481 4.651 4.170 -0.000 0.000 0.286 249 I C -1.018 175.122 176.117 0.037 0.000 1.088 249 I CA -0.436 60.940 61.300 0.127 0.000 1.397 249 I CB 0.645 38.426 38.000 -0.365 0.000 1.414 249 I HN 0.505 nan 8.210 nan 0.000 0.566 250 V N 7.166 127.058 119.914 -0.036 0.000 2.488 250 V HA 0.304 4.424 4.120 -0.000 0.000 0.293 250 V C -0.450 175.673 176.094 0.049 0.000 1.027 250 V CA -0.869 61.388 62.300 -0.073 0.000 0.862 250 V CB 1.425 33.245 31.823 -0.005 0.000 1.008 250 V HN 0.706 nan 8.190 nan 0.000 0.428 251 D N 2.485 122.916 120.400 0.052 0.000 2.447 251 D HA 0.241 4.881 4.640 -0.000 0.000 0.265 251 D C 0.706 177.244 176.300 0.397 0.000 1.250 251 D CA -0.205 53.923 54.000 0.215 0.000 1.046 251 D CB 0.771 41.694 40.800 0.206 0.000 1.095 251 D HN 0.807 nan 8.370 nan 0.000 0.555 252 H N -1.797 117.421 119.070 0.246 0.000 2.652 252 H HA 0.274 4.830 4.556 -0.000 0.000 0.274 252 H C 0.401 175.966 175.328 0.395 0.000 1.021 252 H CA -0.406 55.874 56.048 0.388 0.000 1.187 252 H CB -0.217 29.837 29.762 0.488 0.000 1.505 252 H HN 0.218 nan 8.280 nan 0.000 0.530 253 G N 2.264 111.000 108.800 -0.107 0.000 2.325 253 G HA2 0.457 4.417 3.960 -0.000 0.000 0.298 253 G HA3 0.457 4.417 3.960 -0.000 0.000 0.298 253 G C -0.429 174.379 174.900 -0.154 0.000 1.134 253 G CA -0.493 44.384 45.100 -0.372 0.000 0.876 253 G HN 0.189 nan 8.290 nan 0.000 0.452 254 I N 2.306 122.760 120.570 -0.192 0.000 2.312 254 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 254 I C 0.825 176.841 176.117 -0.168 0.000 1.008 254 I CA -0.818 60.513 61.300 0.050 0.000 1.226 254 I CB 1.295 39.424 38.000 0.215 0.000 1.371 254 I HN 0.536 nan 8.210 nan 0.000 0.468 255 R N 5.120 125.536 120.500 -0.141 0.000 2.522 255 R HA 0.168 4.508 4.340 -0.000 0.000 0.284 255 R C -0.596 175.414 176.300 -0.484 0.000 1.032 255 R CA -0.191 55.705 56.100 -0.340 0.000 1.049 255 R CB 0.626 30.651 30.300 -0.458 0.000 0.956 255 R HN 0.427 nan 8.270 nan 0.000 0.422 256 V N 5.847 125.359 119.914 -0.670 0.000 2.242 256 V HA 0.031 4.151 4.120 -0.000 0.000 0.242 256 V C -0.009 175.619 176.094 -0.776 0.000 1.240 256 V CA 0.416 62.036 62.300 -1.133 0.000 1.211 256 V CB -0.047 31.341 31.823 -0.725 0.000 1.338 256 V HN 0.687 nan 8.190 nan 0.000 0.499 257 D N 2.777 122.761 120.400 -0.694 0.000 2.593 257 D HA 0.226 4.866 4.640 -0.000 0.000 0.251 257 D C 0.840 177.184 176.300 0.073 0.000 1.140 257 D CA -0.497 53.382 54.000 -0.201 0.000 0.855 257 D CB 2.146 42.896 40.800 -0.084 0.000 1.267 257 D HN 0.380 nan 8.370 nan 0.000 0.532 258 Q N 2.050 121.911 119.800 0.102 0.000 2.248 258 Q HA -0.132 4.208 4.340 -0.000 0.000 0.208 258 Q C 0.382 176.507 176.000 0.210 0.000 0.984 258 Q CA 1.457 57.383 55.803 0.205 0.000 0.875 258 Q CB 0.129 28.937 28.738 0.118 0.000 0.910 258 Q HN 0.461 nan 8.270 nan 0.000 0.433 259 N N -1.100 117.711 118.700 0.184 0.000 2.282 259 N HA 0.042 4.782 4.740 -0.000 0.000 0.240 259 N C -1.308 174.348 175.510 0.243 0.000 1.182 259 N CA -0.228 52.927 53.050 0.174 0.000 0.874 259 N CB 0.677 39.235 38.487 0.119 0.000 1.126 259 N HN 0.077 nan 8.380 nan 0.000 0.516 260 Y N 1.236 121.624 120.300 0.146 0.000 2.385 260 Y HA 0.304 4.854 4.550 -0.000 0.000 0.341 260 Y C 1.376 177.412 175.900 0.227 0.000 0.965 260 Y CA -1.004 57.189 58.100 0.155 0.000 1.180 260 Y CB 0.819 39.348 38.460 0.115 0.000 1.139 260 Y HN -0.086 nan 8.280 nan 0.000 0.502 261 S N 5.861 121.510 115.700 -0.085 0.000 2.368 261 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 261 S C -0.758 173.768 174.600 -0.123 0.000 1.044 261 S CA 2.317 60.462 58.200 -0.092 0.000 1.062 261 S CB -0.718 62.451 63.200 -0.052 0.000 0.931 261 S HN 0.730 nan 8.310 nan 0.000 0.440 262 P HA -0.071 nan 4.420 nan 0.000 0.216 262 P C 1.214 178.733 177.300 0.364 0.000 1.150 262 P CA 0.884 64.017 63.100 0.055 0.000 0.837 262 P CB -0.147 31.511 31.700 -0.070 0.000 0.786 263 F N 0.240 120.223 119.950 0.055 0.000 2.102 263 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 263 F C 1.872 177.821 175.800 0.248 0.000 1.105 263 F CA 1.454 59.614 58.000 0.267 0.000 1.239 263 F CB -0.998 38.136 39.000 0.222 0.000 0.991 263 F HN -0.247 nan 8.300 nan 0.000 0.474 264 L N -0.157 121.083 121.223 0.028 0.000 2.056 264 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 264 L C 2.704 179.509 176.870 -0.109 0.000 1.078 264 L CA 1.503 56.273 54.840 -0.117 0.000 0.749 264 L CB -1.133 40.925 42.059 -0.001 0.000 0.901 264 L HN 0.308 nan 8.230 nan 0.000 0.433 265 S N -0.323 115.382 115.700 0.009 0.000 2.436 265 S HA -0.043 4.427 4.470 -0.000 0.000 0.228 265 S C 1.905 176.353 174.600 -0.253 0.000 1.014 265 S CA 0.713 58.926 58.200 0.022 0.000 0.950 265 S CB -0.481 62.865 63.200 0.244 0.000 0.784 265 S HN 0.393 nan 8.310 nan 0.000 0.504 266 G N 0.781 109.335 108.800 -0.411 0.000 2.813 266 G HA2 0.183 4.143 3.960 -0.000 0.000 0.209 266 G HA3 0.183 4.143 3.960 -0.000 0.000 0.209 266 G C 0.402 174.375 174.900 -1.545 0.000 1.150 266 G CA -0.226 43.952 45.100 -1.538 0.000 0.785 266 G HN 0.454 nan 8.290 nan 0.000 0.535 267 M N 1.368 120.504 119.600 -0.772 0.000 2.290 267 M HA 0.375 4.855 4.480 -0.000 0.000 0.356 267 M C 1.454 177.423 176.300 -0.551 0.000 1.448 267 M CA 0.787 55.766 55.300 -0.536 0.000 0.993 267 M CB 0.221 32.621 32.600 -0.333 0.000 1.934 267 M HN 0.466 nan 8.290 nan 0.000 0.461 268 G N 4.167 112.697 108.800 -0.450 0.000 2.254 268 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.225 268 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.225 268 G C 0.683 175.344 174.900 -0.398 0.000 1.003 268 G CA 0.307 45.204 45.100 -0.339 0.000 0.622 268 G HN 0.650 nan 8.290 nan 0.000 0.507 269 K N -0.045 119.936 120.400 -0.697 0.000 2.455 269 K HA 0.438 4.758 4.320 -0.000 0.000 0.206 269 K C -0.229 176.084 176.600 -0.479 0.000 1.027 269 K CA -0.413 55.524 56.287 -0.583 0.000 1.113 269 K CB 0.376 32.460 32.500 -0.693 0.000 0.850 269 K HN 0.248 nan 8.250 nan 0.000 0.503 270 F N 0.472 120.348 119.950 -0.124 0.000 2.380 270 F HA 0.220 4.747 4.527 -0.000 0.000 0.321 270 F C 0.979 176.846 175.800 0.112 0.000 1.103 270 F CA -1.804 56.189 58.000 -0.011 0.000 1.067 270 F CB 0.376 39.369 39.000 -0.013 0.000 1.265 270 F HN -0.102 nan 8.300 nan 0.000 0.517 271 C N 1.497 121.062 119.300 0.441 0.000 2.676 271 C HA 0.313 4.773 4.460 -0.000 0.000 0.416 271 C C 0.434 175.586 174.990 0.269 0.000 1.299 271 C CA -0.580 58.654 59.018 0.360 0.000 2.048 271 C CB -0.706 27.297 27.740 0.438 0.000 2.713 271 C HN 0.711 nan 8.230 nan 0.000 0.624 272 E N 0.904 121.198 120.200 0.158 0.000 2.370 272 E HA 0.730 5.080 4.350 -0.000 0.000 0.259 272 E C -0.732 175.875 176.600 0.011 0.000 0.947 272 E CA -0.671 55.801 56.400 0.121 0.000 0.809 272 E CB 1.466 31.247 29.700 0.134 0.000 1.300 272 E HN 0.684 nan 8.360 nan 0.000 0.419 273 I N -2.166 118.411 120.570 0.011 0.000 2.910 273 I HA 0.393 4.563 4.170 -0.000 0.000 0.310 273 I C 1.047 177.134 176.117 -0.049 0.000 1.043 273 I CA -0.883 60.381 61.300 -0.060 0.000 1.053 273 I CB 1.426 39.407 38.000 -0.032 0.000 1.242 273 I HN 0.329 nan 8.210 nan 0.000 0.452 274 E N 1.911 122.068 120.200 -0.073 0.000 2.113 274 E HA -0.252 4.098 4.350 -0.000 0.000 0.210 274 E C 2.040 178.622 176.600 -0.030 0.000 1.040 274 E CA 2.500 58.865 56.400 -0.059 0.000 0.847 274 E CB -0.285 29.379 29.700 -0.059 0.000 0.755 274 E HN 0.861 nan 8.360 nan 0.000 0.459 275 S N -1.408 114.281 115.700 -0.019 0.000 2.595 275 S HA 0.099 4.568 4.470 -0.000 0.000 0.235 275 S C 1.547 176.152 174.600 0.010 0.000 0.974 275 S CA 1.009 59.206 58.200 -0.005 0.000 0.942 275 S CB 0.286 63.483 63.200 -0.004 0.000 0.766 275 S HN 0.433 nan 8.310 nan 0.000 0.536 276 G N 0.267 109.079 108.800 0.020 0.000 2.232 276 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.226 276 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.226 276 G C -0.128 174.801 174.900 0.048 0.000 0.996 276 G CA -0.052 45.072 45.100 0.040 0.000 0.626 276 G HN 0.580 nan 8.290 nan 0.000 0.509 277 E N 0.492 120.717 120.200 0.042 0.000 2.376 277 E HA 0.671 5.021 4.350 -0.000 0.000 0.254 277 E C 1.007 177.652 176.600 0.075 0.000 1.213 277 E CA -0.559 55.871 56.400 0.049 0.000 0.945 277 E CB 0.683 30.406 29.700 0.038 0.000 1.057 277 E HN 0.362 nan 8.360 nan 0.000 0.479 278 L N 1.259 122.529 121.223 0.079 0.000 2.452 278 L HA 0.136 4.476 4.340 -0.000 0.000 0.267 278 L C 0.094 177.034 176.870 0.116 0.000 1.188 278 L CA -0.409 54.495 54.840 0.106 0.000 0.821 278 L CB 0.155 42.264 42.059 0.083 0.000 1.102 278 L HN 0.465 nan 8.230 nan 0.000 0.470 279 F N 3.306 123.238 119.950 -0.030 0.000 2.404 279 F HA 0.348 4.875 4.527 -0.000 0.000 0.359 279 F C -0.354 175.386 175.800 -0.100 0.000 1.134 279 F CA -0.770 57.172 58.000 -0.097 0.000 1.160 279 F CB 0.413 39.310 39.000 -0.171 0.000 1.186 279 F HN -0.044 nan 8.300 nan 0.000 0.526 280 V N 7.330 126.996 119.914 -0.413 0.000 2.370 280 V HA 0.720 4.840 4.120 -0.000 0.000 0.279 280 V C 0.544 176.228 176.094 -0.684 0.000 1.029 280 V CA -0.002 61.980 62.300 -0.530 0.000 0.870 280 V CB 0.522 32.185 31.823 -0.266 0.000 0.984 280 V HN 0.977 nan 8.190 nan 0.000 0.451 281 G N 4.394 112.731 108.800 -0.771 0.000 3.257 281 G HA2 0.660 4.620 3.960 -0.000 0.000 0.205 281 G HA3 0.660 4.620 3.960 -0.000 0.000 0.205 281 G C -1.050 173.686 174.900 -0.272 0.000 1.234 281 G CA -0.596 44.205 45.100 -0.498 0.000 0.918 281 G HN 0.425 nan 8.290 nan 0.000 0.602 282 K N -0.037 120.292 120.400 -0.118 0.000 2.468 282 K HA 0.653 4.973 4.320 -0.000 0.000 0.252 282 K C -0.955 175.663 176.600 0.030 0.000 0.932 282 K CA -0.580 55.677 56.287 -0.050 0.000 0.794 282 K CB 2.250 34.764 32.500 0.024 0.000 1.241 282 K HN 0.377 nan 8.250 nan 0.000 0.428 283 M N 0.327 119.912 119.600 -0.026 0.000 3.385 283 M HA 0.236 4.716 4.480 -0.000 0.000 0.286 283 M C 0.228 176.517 176.300 -0.018 0.000 1.381 283 M CA -0.601 54.654 55.300 -0.074 0.000 0.813 283 M CB 0.799 33.280 32.600 -0.199 0.000 1.731 283 M HN 0.689 nan 8.290 nan 0.000 0.460 284 W N 1.997 123.270 121.300 -0.045 0.000 2.290 284 W HA -0.180 4.480 4.660 -0.000 0.000 0.318 284 W C -0.626 175.738 176.519 -0.259 0.000 1.248 284 W CA 1.076 58.245 57.345 -0.295 0.000 1.263 284 W CB -1.530 27.696 29.460 -0.390 0.000 1.147 284 W HN 0.471 nan 8.180 nan 0.000 0.494 285 P HA 0.150 nan 4.420 nan 0.000 0.245 285 P C 0.813 178.095 177.300 -0.030 0.000 1.212 285 P CA 1.839 64.972 63.100 0.055 0.000 0.774 285 P CB 0.279 31.938 31.700 -0.068 0.000 0.999 286 G N -0.142 108.638 108.800 -0.035 0.000 2.513 286 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.227 286 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.227 286 G C -0.509 174.308 174.900 -0.139 0.000 1.176 286 G CA -0.301 44.760 45.100 -0.065 0.000 0.967 286 G HN 0.165 nan 8.290 nan 0.000 0.587 287 T N 2.056 116.507 114.554 -0.171 0.000 2.867 287 T HA 0.508 4.858 4.350 -0.000 0.000 0.297 287 T C 0.704 175.198 174.700 -0.342 0.000 0.989 287 T CA 1.389 63.348 62.100 -0.236 0.000 1.159 287 T CB 0.345 69.081 68.868 -0.221 0.000 0.928 287 T HN 1.573 nan 8.240 nan 0.000 0.538 288 T N -0.541 113.749 114.554 -0.440 0.000 2.864 288 T HA 0.748 5.098 4.350 -0.000 0.000 0.299 288 T C -0.383 173.829 174.700 -0.813 0.000 1.166 288 T CA -0.945 60.787 62.100 -0.613 0.000 1.007 288 T CB 1.323 69.780 68.868 -0.684 0.000 1.219 288 T HN 0.532 nan 8.240 nan 0.000 0.506 289 V N -0.921 118.474 119.914 -0.864 0.000 3.113 289 V HA 0.882 5.002 4.120 -0.000 0.000 0.316 289 V C -1.657 173.910 176.094 -0.879 0.000 1.125 289 V CA -1.400 60.412 62.300 -0.813 0.000 1.026 289 V CB 1.216 32.580 31.823 -0.765 0.000 1.080 289 V HN 0.987 nan 8.190 nan 0.000 0.444 290 Y N 0.002 120.227 120.300 -0.125 0.000 2.462 290 Y HA 0.701 5.251 4.550 -0.000 0.000 0.346 290 Y C -2.678 173.433 175.900 0.351 0.000 0.976 290 Y CA -2.748 55.445 58.100 0.155 0.000 1.044 290 Y CB 2.244 40.899 38.460 0.325 0.000 1.230 290 Y HN 0.434 nan 8.280 nan 0.000 0.455 291 P HA 0.011 nan 4.420 nan 0.000 0.271 291 P C -0.545 176.693 177.300 -0.103 0.000 1.216 291 P CA -0.090 63.020 63.100 0.018 0.000 0.771 291 P CB 0.642 32.018 31.700 -0.541 0.000 0.864 292 D N 2.921 123.343 120.400 0.036 0.000 2.517 292 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 292 D C 0.346 176.651 176.300 0.008 0.000 1.158 292 D CA -0.293 53.865 54.000 0.262 0.000 0.992 292 D CB -0.653 40.385 40.800 0.396 0.000 1.058 292 D HN 0.129 nan 8.370 nan 0.000 0.516 293 F N 1.220 121.107 119.950 -0.105 0.000 2.449 293 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 293 F C 1.590 177.125 175.800 -0.442 0.000 1.092 293 F CA 0.443 58.235 58.000 -0.346 0.000 1.446 293 F CB -0.525 38.069 39.000 -0.676 0.000 1.084 293 F HN 0.341 nan 8.300 nan 0.000 0.567 294 F N -0.083 119.778 119.950 -0.149 0.000 2.502 294 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 294 F C 1.275 176.933 175.800 -0.238 0.000 1.111 294 F CA 0.461 58.182 58.000 -0.465 0.000 1.445 294 F CB -0.468 38.341 39.000 -0.318 0.000 1.081 294 F HN -0.280 nan 8.300 nan 0.000 0.558 295 R N 0.667 121.226 120.500 0.098 0.000 2.357 295 R HA 0.109 4.449 4.340 -0.000 0.000 0.296 295 R C 1.336 177.683 176.300 0.079 0.000 1.052 295 R CA -0.243 55.914 56.100 0.095 0.000 0.988 295 R CB 0.895 31.254 30.300 0.098 0.000 1.025 295 R HN 0.154 nan 8.270 nan 0.000 0.469 296 E N 2.437 122.683 120.200 0.077 0.000 2.085 296 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 296 E C 0.892 177.554 176.600 0.102 0.000 0.994 296 E CA 1.934 58.389 56.400 0.092 0.000 0.801 296 E CB 0.207 29.953 29.700 0.078 0.000 0.743 296 E HN 0.683 nan 8.360 nan 0.000 0.453 297 D N -0.559 119.885 120.400 0.072 0.000 2.144 297 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 297 D C 1.773 178.147 176.300 0.124 0.000 0.984 297 D CA 1.440 55.481 54.000 0.070 0.000 0.834 297 D CB -0.680 40.122 40.800 0.004 0.000 0.955 297 D HN 0.124 nan 8.370 nan 0.000 0.465 298 T N 0.529 115.145 114.554 0.105 0.000 2.867 298 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 298 T C 2.051 176.989 174.700 0.398 0.000 1.057 298 T CA 0.911 63.117 62.100 0.176 0.000 1.136 298 T CB -0.045 68.837 68.868 0.024 0.000 0.874 298 T HN 0.102 nan 8.240 nan 0.000 0.466 299 R N 0.874 121.558 120.500 0.308 0.000 2.075 299 R HA -0.004 4.336 4.340 -0.000 0.000 0.232 299 R C 2.497 178.989 176.300 0.320 0.000 1.126 299 R CA 1.241 57.549 56.100 0.346 0.000 0.963 299 R CB -0.066 30.373 30.300 0.231 0.000 0.858 299 R HN 0.498 nan 8.270 nan 0.000 0.435 300 E N -1.080 119.266 120.200 0.243 0.000 2.077 300 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 300 E C 1.557 178.286 176.600 0.214 0.000 0.989 300 E CA 1.312 57.823 56.400 0.184 0.000 0.800 300 E CB -0.235 29.548 29.700 0.138 0.000 0.746 300 E HN 0.409 nan 8.360 nan 0.000 0.452 301 W N 1.333 122.687 121.300 0.090 0.000 2.335 301 W HA -0.220 4.440 4.660 -0.000 0.000 0.311 301 W C 2.027 178.626 176.519 0.132 0.000 1.213 301 W CA 1.428 58.813 57.345 0.067 0.000 1.274 301 W CB -0.501 28.980 29.460 0.034 0.000 1.148 301 W HN 0.201 nan 8.180 nan 0.000 0.498 302 W N 1.245 122.521 121.300 -0.041 0.000 2.355 302 W HA -0.216 4.444 4.660 -0.000 0.000 0.309 302 W C 2.147 178.547 176.519 -0.198 0.000 1.206 302 W CA 2.742 59.947 57.345 -0.233 0.000 1.284 302 W CB -0.932 28.699 29.460 0.285 0.000 1.145 302 W HN 0.040 nan 8.180 nan 0.000 0.502 303 A N 1.136 124.013 122.820 0.095 0.000 1.940 303 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 303 A C 2.255 179.714 177.584 -0.208 0.000 1.176 303 A CA 2.382 54.403 52.037 -0.028 0.000 0.631 303 A CB -1.590 17.448 19.000 0.062 0.000 0.814 303 A HN 0.383 nan 8.150 nan 0.000 0.446 304 G N -0.194 108.469 108.800 -0.229 0.000 2.421 304 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 304 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 304 G C 1.551 176.187 174.900 -0.441 0.000 1.171 304 G CA 1.024 45.960 45.100 -0.273 0.000 0.775 304 G HN 0.444 nan 8.290 nan 0.000 0.543 305 L N 0.335 121.128 121.223 -0.718 0.000 2.046 305 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 305 L C 2.834 179.119 176.870 -0.975 0.000 1.077 305 L CA 0.412 54.637 54.840 -1.026 0.000 0.747 305 L CB -0.404 40.706 42.059 -1.582 0.000 0.896 305 L HN 0.116 nan 8.230 nan 0.000 0.432 306 I N -0.510 119.564 120.570 -0.827 0.000 2.142 306 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 306 I C 2.819 178.761 176.117 -0.292 0.000 1.078 306 I CA 1.494 62.506 61.300 -0.481 0.000 1.343 306 I CB -1.087 36.695 38.000 -0.363 0.000 1.046 306 I HN 0.237 nan 8.210 nan 0.000 0.405 307 S N 0.178 115.696 115.700 -0.304 0.000 2.365 307 S HA -0.281 4.189 4.470 -0.000 0.000 0.225 307 S C 2.052 176.533 174.600 -0.199 0.000 1.039 307 S CA 2.020 60.071 58.200 -0.249 0.000 1.033 307 S CB -0.267 62.804 63.200 -0.215 0.000 0.887 307 S HN 0.471 nan 8.310 nan 0.000 0.447 308 E N -0.555 119.520 120.200 -0.207 0.000 2.110 308 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 308 E C 1.929 178.493 176.600 -0.060 0.000 0.988 308 E CA 1.180 57.494 56.400 -0.143 0.000 0.804 308 E CB -0.361 29.231 29.700 -0.180 0.000 0.745 308 E HN 0.820 nan 8.360 nan 0.000 0.458 309 W N 0.896 122.031 121.300 -0.274 0.000 2.388 309 W HA -0.140 4.520 4.660 -0.000 0.000 0.294 309 W C 1.638 178.103 176.519 -0.090 0.000 1.212 309 W CA 0.702 57.964 57.345 -0.137 0.000 1.271 309 W CB -0.054 29.347 29.460 -0.099 0.000 1.126 309 W HN 0.115 nan 8.180 nan 0.000 0.535 310 L N 1.318 122.472 121.223 -0.115 0.000 2.201 310 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 310 L C 2.792 179.548 176.870 -0.189 0.000 1.105 310 L CA 1.575 56.286 54.840 -0.214 0.000 0.775 310 L CB -0.910 40.949 42.059 -0.334 0.000 0.913 310 L HN -0.033 nan 8.230 nan 0.000 0.440 311 S N -0.423 115.181 115.700 -0.159 0.000 2.469 311 S HA -0.223 4.247 4.470 -0.000 0.000 0.238 311 S C 1.678 176.209 174.600 -0.114 0.000 0.998 311 S CA 0.852 58.982 58.200 -0.116 0.000 0.957 311 S CB -0.320 62.825 63.200 -0.092 0.000 0.764 311 S HN 0.578 nan 8.310 nan 0.000 0.514 312 Q N 0.615 120.313 119.800 -0.171 0.000 2.435 312 Q HA 0.328 4.668 4.340 -0.000 0.000 0.207 312 Q C 1.500 177.424 176.000 -0.127 0.000 0.956 312 Q CA 0.492 56.197 55.803 -0.163 0.000 0.917 312 Q CB -0.244 28.353 28.738 -0.236 0.000 0.997 312 Q HN 0.757 nan 8.270 nan 0.000 0.497 313 G N 0.041 108.777 108.800 -0.106 0.000 2.183 313 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.168 313 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.168 313 G C -0.003 174.905 174.900 0.014 0.000 1.008 313 G CA -0.358 44.748 45.100 0.011 0.000 0.677 313 G HN 0.143 nan 8.290 nan 0.000 0.498 314 V N 1.911 121.757 119.914 -0.114 0.000 2.585 314 V HA 0.180 4.300 4.120 -0.000 0.000 0.296 314 V C 1.160 177.273 176.094 0.033 0.000 1.035 314 V CA 0.889 63.141 62.300 -0.080 0.000 1.084 314 V CB 1.236 32.941 31.823 -0.197 0.000 0.953 314 V HN 0.343 nan 8.190 nan 0.000 0.483 315 D N 3.173 123.630 120.400 0.096 0.000 2.327 315 D HA 0.169 4.809 4.640 -0.000 0.000 0.205 315 D C 0.732 177.320 176.300 0.481 0.000 0.989 315 D CA 0.950 55.072 54.000 0.203 0.000 0.873 315 D CB 0.999 41.786 40.800 -0.022 0.000 0.955 315 D HN 0.699 nan 8.370 nan 0.000 0.515 316 G N 0.201 109.264 108.800 0.439 0.000 2.692 316 G HA2 0.506 4.465 3.960 -0.000 0.000 0.291 316 G HA3 0.506 4.465 3.960 -0.000 0.000 0.291 316 G C -1.419 173.812 174.900 0.551 0.000 1.423 316 G CA -0.487 45.023 45.100 0.684 0.000 0.843 316 G HN -0.118 nan 8.290 nan 0.000 0.486 317 I N 0.435 121.355 120.570 0.583 0.000 2.433 317 I HA 0.414 4.583 4.170 -0.000 0.000 0.292 317 I C -1.314 175.060 176.117 0.428 0.000 1.001 317 I CA -0.922 60.660 61.300 0.471 0.000 1.119 317 I CB 1.848 40.138 38.000 0.482 0.000 1.289 317 I HN 0.624 nan 8.210 nan 0.000 0.438 318 W N 8.662 130.094 121.300 0.220 0.000 2.336 318 W HA 0.519 5.179 4.660 -0.000 0.000 0.315 318 W C -1.565 175.067 176.519 0.188 0.000 1.016 318 W CA -1.360 56.102 57.345 0.194 0.000 1.318 318 W CB 0.608 30.223 29.460 0.259 0.000 1.247 318 W HN 0.295 nan 8.180 nan 0.000 0.414 319 L N 6.811 128.276 121.223 0.403 0.000 2.278 319 L HA 0.229 4.569 4.340 -0.000 0.000 0.287 319 L C 0.135 177.122 176.870 0.195 0.000 1.072 319 L CA 0.083 55.058 54.840 0.224 0.000 0.819 319 L CB 0.554 42.722 42.059 0.182 0.000 1.176 319 L HN 0.332 nan 8.230 nan 0.000 0.435 320 D N 3.582 123.996 120.400 0.023 0.000 2.423 320 D HA 0.476 5.116 4.640 -0.000 0.000 0.235 320 D C 0.453 176.762 176.300 0.014 0.000 1.011 320 D CA -0.315 53.716 54.000 0.050 0.000 0.963 320 D CB 1.268 41.976 40.800 -0.154 0.000 1.349 320 D HN 0.369 nan 8.370 nan 0.000 0.508 321 M N 0.691 120.290 119.600 -0.002 0.000 2.811 321 M HA -0.233 4.247 4.480 -0.000 0.000 0.183 321 M C 0.077 176.111 176.300 -0.445 0.000 0.618 321 M CA 0.537 55.771 55.300 -0.111 0.000 0.633 321 M CB -2.937 29.655 32.600 -0.013 0.000 2.305 321 M HN 0.618 nan 8.290 nan 0.000 0.472 322 N N 0.355 118.858 118.700 -0.329 0.000 2.410 322 N HA 0.145 4.885 4.740 -0.000 0.000 0.231 322 N C 0.732 176.112 175.510 -0.217 0.000 1.172 322 N CA 0.210 53.044 53.050 -0.360 0.000 0.849 322 N CB 0.102 38.510 38.487 -0.132 0.000 1.116 322 N HN 0.300 nan 8.380 nan 0.000 0.485 323 E N 0.773 120.810 120.200 -0.271 0.000 2.110 323 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 323 E C -1.654 174.761 176.600 -0.308 0.000 0.988 323 E CA 0.846 57.119 56.400 -0.211 0.000 0.804 323 E CB -1.071 28.520 29.700 -0.182 0.000 0.745 323 E HN 0.595 nan 8.360 nan 0.000 0.458 324 P HA 0.128 nan 4.420 nan 0.000 0.286 324 P C -0.682 176.237 177.300 -0.635 0.000 1.261 324 P CA -0.009 62.603 63.100 -0.813 0.000 0.821 324 P CB 1.689 32.489 31.700 -1.500 0.000 1.013 325 T N 1.740 116.086 114.554 -0.346 0.000 2.902 325 T HA 0.462 4.811 4.350 -0.000 0.000 0.283 325 T C -0.707 173.895 174.700 -0.162 0.000 1.009 325 T CA 0.095 62.030 62.100 -0.275 0.000 1.051 325 T CB 0.795 69.450 68.868 -0.354 0.000 0.999 325 T HN 0.466 nan 8.240 nan 0.000 0.474 326 D N -0.102 120.105 120.400 -0.321 0.000 2.859 326 D HA 0.426 5.066 4.640 -0.000 0.000 0.223 326 D C -0.851 175.184 176.300 -0.441 0.000 1.218 326 D CA -0.588 53.262 54.000 -0.249 0.000 0.850 326 D CB 0.944 41.756 40.800 0.019 0.000 1.656 326 D HN 0.341 nan 8.370 nan 0.000 0.484 327 F N 1.235 121.185 119.950 -0.001 0.000 2.661 327 F HA 0.142 4.668 4.527 -0.000 0.000 0.306 327 F C 2.294 178.088 175.800 -0.010 0.000 1.094 327 F CA -0.001 57.992 58.000 -0.013 0.000 1.254 327 F CB 0.144 39.118 39.000 -0.043 0.000 1.040 327 F HN 0.387 nan 8.300 nan 0.000 0.562 328 S N -0.031 115.737 115.700 0.113 0.000 2.382 328 S HA -0.231 4.239 4.470 -0.000 0.000 0.228 328 S C 2.189 176.823 174.600 0.057 0.000 1.027 328 S CA 1.070 59.308 58.200 0.063 0.000 0.991 328 S CB -0.292 62.920 63.200 0.020 0.000 0.823 328 S HN 0.299 nan 8.310 nan 0.000 0.469 329 R N 1.649 122.185 120.500 0.060 0.000 2.066 329 R HA 0.204 4.544 4.340 -0.000 0.000 0.232 329 R C 2.722 179.039 176.300 0.027 0.000 1.131 329 R CA 1.387 57.508 56.100 0.035 0.000 0.955 329 R CB -1.008 29.311 30.300 0.032 0.000 0.851 329 R HN 0.554 nan 8.270 nan 0.000 0.432 330 A N 0.524 123.387 122.820 0.072 0.000 1.877 330 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 330 A C 2.165 179.752 177.584 0.005 0.000 1.186 330 A CA 1.454 53.524 52.037 0.054 0.000 0.620 330 A CB -0.608 18.493 19.000 0.168 0.000 0.822 330 A HN 0.273 nan 8.150 nan 0.000 0.443 331 I N -0.738 119.858 120.570 0.044 0.000 2.361 331 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 331 I C 2.536 178.643 176.117 -0.015 0.000 1.133 331 I CA 1.668 62.976 61.300 0.013 0.000 1.413 331 I CB -0.276 37.744 38.000 0.034 0.000 1.073 331 I HN 0.551 nan 8.210 nan 0.000 0.424 332 E N 1.508 121.700 120.200 -0.013 0.000 2.077 332 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 332 E C 2.300 178.867 176.600 -0.055 0.000 0.989 332 E CA 1.347 57.732 56.400 -0.024 0.000 0.800 332 E CB 0.010 29.702 29.700 -0.015 0.000 0.746 332 E HN 0.449 nan 8.360 nan 0.000 0.452 333 I N 0.713 121.226 120.570 -0.095 0.000 2.252 333 I HA -0.241 3.928 4.170 -0.000 0.000 0.245 333 I C 2.840 178.811 176.117 -0.243 0.000 1.102 333 I CA 0.830 62.020 61.300 -0.182 0.000 1.385 333 I CB -0.340 37.499 38.000 -0.268 0.000 1.064 333 I HN 0.110 nan 8.210 nan 0.000 0.414 334 R N 1.044 121.417 120.500 -0.211 0.000 2.152 334 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 334 R C 1.378 177.664 176.300 -0.023 0.000 1.117 334 R CA 1.651 57.669 56.100 -0.136 0.000 0.981 334 R CB -0.319 29.945 30.300 -0.059 0.000 0.870 334 R HN 0.351 nan 8.270 nan 0.000 0.451 335 D N -0.259 120.126 120.400 -0.025 0.000 2.162 335 D HA -0.068 4.572 4.640 -0.000 0.000 0.203 335 D C 1.938 178.245 176.300 0.012 0.000 0.967 335 D CA 0.859 54.861 54.000 0.003 0.000 0.840 335 D CB 0.043 40.842 40.800 -0.003 0.000 0.972 335 D HN 0.050 nan 8.370 nan 0.000 0.482 336 V N 0.714 120.627 119.914 -0.002 0.000 2.488 336 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 336 V C 1.969 178.090 176.094 0.044 0.000 1.046 336 V CA 1.044 63.352 62.300 0.012 0.000 1.053 336 V CB -0.116 31.706 31.823 -0.002 0.000 0.679 336 V HN 0.168 nan 8.190 nan 0.000 0.458 337 L N 0.323 121.585 121.223 0.064 0.000 2.910 337 L HA 0.160 4.499 4.340 -0.000 0.000 0.252 337 L C 2.234 179.269 176.870 0.275 0.000 1.195 337 L CA 0.350 55.295 54.840 0.175 0.000 1.003 337 L CB -0.059 42.158 42.059 0.262 0.000 1.328 337 L HN 0.380 nan 8.230 nan 0.000 0.540 338 S N -0.822 114.985 115.700 0.179 0.000 2.369 338 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 338 S C 1.385 176.067 174.600 0.136 0.000 1.043 338 S CA 1.371 59.676 58.200 0.176 0.000 1.074 338 S CB -0.489 62.770 63.200 0.099 0.000 0.962 338 S HN 0.339 nan 8.310 nan 0.000 0.433 339 S N 2.396 118.150 115.700 0.091 0.000 3.697 339 S HA 0.484 4.954 4.470 -0.000 0.000 0.207 339 S C -0.609 174.019 174.600 0.046 0.000 1.459 339 S CA -0.320 57.914 58.200 0.057 0.000 1.122 339 S CB -0.562 62.663 63.200 0.042 0.000 1.311 339 S HN 0.310 nan 8.310 nan 0.000 0.487 340 L N 3.446 124.695 121.223 0.043 0.000 2.441 340 L HA 0.387 4.727 4.340 -0.000 0.000 0.270 340 L C -1.953 174.886 176.870 -0.051 0.000 0.973 340 L CA -1.657 53.190 54.840 0.011 0.000 0.842 340 L CB 2.085 44.170 42.059 0.043 0.000 1.239 340 L HN 0.087 nan 8.230 nan 0.000 0.406 341 P HA -0.038 nan 4.420 nan 0.000 0.278 341 P C 0.253 177.479 177.300 -0.123 0.000 1.366 341 P CA 0.263 63.319 63.100 -0.074 0.000 0.750 341 P CB 0.179 31.853 31.700 -0.042 0.000 1.271 342 V N 0.410 120.213 119.914 -0.185 0.000 2.644 342 V HA 0.185 4.305 4.120 -0.000 0.000 0.295 342 V C 0.602 176.404 176.094 -0.486 0.000 1.053 342 V CA -0.491 61.659 62.300 -0.250 0.000 0.987 342 V CB 1.579 33.292 31.823 -0.182 0.000 1.006 342 V HN 0.078 nan 8.190 nan 0.000 0.472 343 Q N 2.282 121.869 119.800 -0.356 0.000 2.256 343 Q HA 0.458 4.798 4.340 -0.000 0.000 0.254 343 Q C -1.357 174.446 176.000 -0.329 0.000 0.916 343 Q CA -0.495 55.088 55.803 -0.368 0.000 0.932 343 Q CB 0.922 29.568 28.738 -0.154 0.000 1.207 343 Q HN 0.572 nan 8.270 nan 0.000 0.426 344 F N 2.439 122.403 119.950 0.023 0.000 2.375 344 F HA 0.317 4.844 4.527 -0.000 0.000 0.333 344 F C 0.714 176.530 175.800 0.026 0.000 1.104 344 F CA -0.697 57.319 58.000 0.026 0.000 1.149 344 F CB 0.558 39.578 39.000 0.032 0.000 1.190 344 F HN 0.494 nan 8.300 nan 0.000 0.533 345 R N 0.934 121.571 120.500 0.230 0.000 2.539 345 R HA 0.206 4.546 4.340 -0.000 0.000 0.275 345 R C -0.659 175.722 176.300 0.135 0.000 1.077 345 R CA -0.662 55.518 56.100 0.134 0.000 1.097 345 R CB 0.618 30.978 30.300 0.100 0.000 1.018 345 R HN 0.558 nan 8.270 nan 0.000 0.483 346 D N 1.998 122.457 120.400 0.100 0.000 2.524 346 D HA 0.033 4.673 4.640 -0.000 0.000 0.222 346 D C -1.092 175.257 176.300 0.081 0.000 1.142 346 D CA -0.301 53.755 54.000 0.095 0.000 0.973 346 D CB 0.363 41.209 40.800 0.077 0.000 1.025 346 D HN 0.515 nan 8.370 nan 0.000 0.519 347 D N 2.285 122.732 120.400 0.079 0.000 2.411 347 D HA 0.086 4.726 4.640 -0.000 0.000 0.225 347 D C 1.324 177.668 176.300 0.073 0.000 1.156 347 D CA -0.418 53.622 54.000 0.067 0.000 0.874 347 D CB 0.666 41.500 40.800 0.056 0.000 1.034 347 D HN 0.078 nan 8.370 nan 0.000 0.502 348 R N 3.058 123.602 120.500 0.073 0.000 2.152 348 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 348 R C 1.656 177.999 176.300 0.071 0.000 1.117 348 R CA 0.534 56.680 56.100 0.076 0.000 0.981 348 R CB -0.324 30.011 30.300 0.058 0.000 0.870 348 R HN 0.589 nan 8.270 nan 0.000 0.451 349 L N 0.401 121.669 121.223 0.076 0.000 2.353 349 L HA -0.107 4.233 4.340 -0.000 0.000 0.220 349 L C 2.353 179.271 176.870 0.080 0.000 1.133 349 L CA 0.479 55.377 54.840 0.096 0.000 0.798 349 L CB -0.410 41.705 42.059 0.093 0.000 0.922 349 L HN -0.009 nan 8.230 nan 0.000 0.445 350 V N 0.061 120.014 119.914 0.065 0.000 2.913 350 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 350 V C 2.352 178.474 176.094 0.048 0.000 1.098 350 V CA 2.112 64.446 62.300 0.055 0.000 1.121 350 V CB -0.319 31.536 31.823 0.053 0.000 0.714 350 V HN 0.708 nan 8.190 nan 0.000 0.487 351 T N -2.081 112.493 114.554 0.034 0.000 3.129 351 T HA 0.072 4.422 4.350 -0.000 0.000 0.251 351 T C 0.823 175.465 174.700 -0.097 0.000 1.117 351 T CA 0.517 62.582 62.100 -0.059 0.000 1.034 351 T CB -0.697 68.127 68.868 -0.073 0.000 0.968 351 T HN 0.657 nan 8.240 nan 0.000 0.526 352 T N -0.395 114.151 114.554 -0.013 0.000 2.847 352 T HA 0.572 4.922 4.350 -0.000 0.000 0.279 352 T C -0.090 174.661 174.700 0.085 0.000 0.984 352 T CA -0.914 61.179 62.100 -0.011 0.000 0.988 352 T CB 0.282 69.179 68.868 0.048 0.000 1.040 352 T HN 0.009 nan 8.240 nan 0.000 0.528 353 F N 2.022 121.809 119.950 -0.271 0.000 2.553 353 F HA 0.347 4.873 4.527 -0.000 0.000 0.356 353 F C -1.645 173.962 175.800 -0.322 0.000 1.142 353 F CA -1.986 55.736 58.000 -0.462 0.000 1.322 353 F CB -0.698 37.678 39.000 -1.041 0.000 1.126 353 F HN 0.437 nan 8.300 nan 0.000 0.599 354 P HA 0.024 nan 4.420 nan 0.000 0.271 354 P C 0.456 177.674 177.300 -0.137 0.000 1.244 354 P CA -0.036 62.959 63.100 -0.176 0.000 0.793 354 P CB 0.642 32.197 31.700 -0.240 0.000 0.984 355 D N 0.165 120.526 120.400 -0.066 0.000 2.277 355 D HA -0.094 4.545 4.640 -0.000 0.000 0.208 355 D C 1.010 177.268 176.300 -0.070 0.000 0.962 355 D CA 0.919 54.903 54.000 -0.027 0.000 0.865 355 D CB -0.260 40.533 40.800 -0.012 0.000 0.939 355 D HN 0.455 nan 8.370 nan 0.000 0.510 356 N N 0.649 119.274 118.700 -0.126 0.000 2.383 356 N HA -0.047 4.693 4.740 -0.000 0.000 0.192 356 N C 0.226 175.620 175.510 -0.194 0.000 1.141 356 N CA 0.011 52.984 53.050 -0.129 0.000 0.851 356 N CB 0.018 38.444 38.487 -0.102 0.000 0.976 356 N HN -0.104 nan 8.380 nan 0.000 0.465 357 V N 1.566 121.309 119.914 -0.286 0.000 2.583 357 V HA 0.272 4.392 4.120 -0.000 0.000 0.287 357 V C 0.501 176.437 176.094 -0.262 0.000 1.051 357 V CA -0.763 61.303 62.300 -0.390 0.000 1.010 357 V CB 1.276 32.688 31.823 -0.685 0.000 0.988 357 V HN 0.245 nan 8.190 nan 0.000 0.478 358 V N 2.553 122.276 119.914 -0.318 0.000 3.001 358 V HA 0.743 4.863 4.120 -0.000 0.000 0.314 358 V C -0.727 175.089 176.094 -0.464 0.000 1.099 358 V CA -0.637 61.468 62.300 -0.325 0.000 0.989 358 V CB 2.280 33.946 31.823 -0.260 0.000 1.040 358 V HN 0.856 nan 8.190 nan 0.000 0.434 359 H N 0.976 119.967 119.070 -0.132 0.000 2.907 359 H HA 0.547 5.103 4.556 -0.000 0.000 0.361 359 H C -1.824 173.325 175.328 -0.298 0.000 1.194 359 H CA -0.466 55.555 56.048 -0.045 0.000 1.152 359 H CB 2.232 31.994 29.762 0.001 0.000 1.867 359 H HN 0.780 nan 8.280 nan 0.000 0.561 360 Y N 1.243 121.656 120.300 0.188 0.000 2.464 360 Y HA 0.210 4.759 4.550 -0.000 0.000 0.326 360 Y C -0.371 175.588 175.900 0.098 0.000 0.969 360 Y CA -0.647 57.513 58.100 0.099 0.000 1.270 360 Y CB 1.056 39.564 38.460 0.079 0.000 1.103 360 Y HN 0.214 nan 8.280 nan 0.000 0.491 361 L N 4.735 126.047 121.223 0.149 0.000 2.287 361 L HA 0.532 4.872 4.340 -0.000 0.000 0.287 361 L C 0.399 177.421 176.870 0.254 0.000 1.022 361 L CA -0.567 54.352 54.840 0.131 0.000 0.814 361 L CB 0.595 42.673 42.059 0.031 0.000 1.217 361 L HN 0.676 nan 8.230 nan 0.000 0.420 362 R N 4.449 125.048 120.500 0.166 0.000 3.322 362 R HA -0.237 4.103 4.340 -0.000 0.000 0.253 362 R C 1.047 177.482 176.300 0.225 0.000 0.987 362 R CA 0.677 56.880 56.100 0.172 0.000 0.666 362 R CB -2.070 28.305 30.300 0.126 0.000 1.072 362 R HN 1.259 nan 8.270 nan 0.000 0.447 363 G N -0.358 108.563 108.800 0.203 0.000 2.212 363 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.266 363 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.266 363 G C 0.121 175.150 174.900 0.216 0.000 0.978 363 G CA 0.864 46.077 45.100 0.188 0.000 0.632 363 G HN 0.466 nan 8.290 nan 0.000 0.537 364 K N 0.408 120.924 120.400 0.193 0.000 2.138 364 K HA 0.583 4.903 4.320 -0.000 0.000 0.263 364 K C 0.295 176.859 176.600 -0.060 0.000 0.965 364 K CA -0.992 55.303 56.287 0.014 0.000 0.868 364 K CB 0.711 33.044 32.500 -0.279 0.000 1.083 364 K HN 0.177 nan 8.250 nan 0.000 0.443 365 R N 3.216 123.603 120.500 -0.188 0.000 2.248 365 R HA 0.200 4.540 4.340 -0.000 0.000 0.328 365 R C -0.692 175.423 176.300 -0.308 0.000 1.067 365 R CA -0.450 55.385 56.100 -0.441 0.000 0.924 365 R CB 0.474 30.530 30.300 -0.406 0.000 1.013 365 R HN 0.463 nan 8.270 nan 0.000 0.454 366 V N 0.456 120.202 119.914 -0.280 0.000 2.962 366 V HA 0.538 4.658 4.120 -0.000 0.000 0.313 366 V C -0.607 175.402 176.094 -0.141 0.000 1.099 366 V CA -1.307 60.883 62.300 -0.184 0.000 0.971 366 V CB 2.006 33.750 31.823 -0.132 0.000 1.028 366 V HN 0.649 nan 8.190 nan 0.000 0.430 367 K N 0.831 121.174 120.400 -0.096 0.000 2.326 367 K HA 0.206 4.526 4.320 -0.000 0.000 0.275 367 K C 0.935 177.549 176.600 0.025 0.000 1.018 367 K CA -0.079 56.180 56.287 -0.048 0.000 0.962 367 K CB 0.695 33.173 32.500 -0.038 0.000 0.953 367 K HN 0.976 nan 8.250 nan 0.000 0.475 368 H N 2.941 122.016 119.070 0.009 0.000 2.387 368 H HA -0.173 4.382 4.556 -0.000 0.000 0.299 368 H C 1.522 176.913 175.328 0.105 0.000 1.099 368 H CA 2.462 58.598 56.048 0.146 0.000 1.315 368 H CB 0.341 30.175 29.762 0.120 0.000 1.380 368 H HN 0.761 nan 8.280 nan 0.000 0.513 369 E N -0.127 120.100 120.200 0.045 0.000 2.338 369 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 369 E C 1.525 178.143 176.600 0.030 0.000 1.007 369 E CA 0.798 57.247 56.400 0.082 0.000 0.849 369 E CB 0.058 29.826 29.700 0.114 0.000 0.774 369 E HN 0.323 nan 8.360 nan 0.000 0.506 370 K N 0.948 121.331 120.400 -0.028 0.000 2.186 370 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 370 K C 2.017 178.578 176.600 -0.065 0.000 1.052 370 K CA 1.272 57.544 56.287 -0.026 0.000 0.965 370 K CB 0.710 33.194 32.500 -0.026 0.000 0.746 370 K HN 0.320 nan 8.250 nan 0.000 0.457 371 V N -2.307 117.513 119.914 -0.157 0.000 3.346 371 V HA 0.265 4.385 4.120 -0.000 0.000 0.309 371 V C 1.897 177.889 176.094 -0.169 0.000 1.457 371 V CA -0.211 61.969 62.300 -0.199 0.000 1.069 371 V CB 0.219 31.785 31.823 -0.428 0.000 0.944 371 V HN 0.012 nan 8.190 nan 0.000 0.449 372 R N 1.985 122.276 120.500 -0.349 0.000 2.162 372 R HA -0.261 4.079 4.340 -0.000 0.000 0.245 372 R C 1.968 178.142 176.300 -0.209 0.000 1.129 372 R CA 2.855 58.643 56.100 -0.520 0.000 0.940 372 R CB -0.401 29.472 30.300 -0.712 0.000 0.875 372 R HN 0.627 nan 8.270 nan 0.000 0.437 373 N N 0.087 118.676 118.700 -0.185 0.000 2.348 373 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 373 N C 1.231 176.690 175.510 -0.085 0.000 1.019 373 N CA 1.323 54.313 53.050 -0.101 0.000 0.880 373 N CB -0.215 38.281 38.487 0.014 0.000 0.965 373 N HN 0.417 nan 8.380 nan 0.000 0.437 374 A N -0.500 122.232 122.820 -0.146 0.000 2.218 374 A HA -0.016 4.304 4.320 -0.000 0.000 0.209 374 A C 1.838 179.485 177.584 0.105 0.000 1.168 374 A CA -0.128 51.887 52.037 -0.037 0.000 0.804 374 A CB -0.498 18.526 19.000 0.040 0.000 0.834 374 A HN 0.292 nan 8.150 nan 0.000 0.482 375 Y N 2.090 122.365 120.300 -0.041 0.000 2.081 375 Y HA -0.194 4.356 4.550 -0.000 0.000 0.280 375 Y C -0.390 175.381 175.900 -0.215 0.000 1.163 375 Y CA 2.904 60.859 58.100 -0.242 0.000 1.135 375 Y CB -0.695 37.683 38.460 -0.137 0.000 0.970 375 Y HN 0.319 nan 8.280 nan 0.000 0.498 376 P HA -0.200 nan 4.420 nan 0.000 0.218 376 P C 1.834 179.019 177.300 -0.191 0.000 1.149 376 P CA 1.442 64.474 63.100 -0.115 0.000 0.817 376 P CB -0.207 31.485 31.700 -0.013 0.000 0.785 377 L N -0.694 120.455 121.223 -0.123 0.000 2.017 377 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 377 L C 2.560 179.223 176.870 -0.346 0.000 1.073 377 L CA 1.918 56.671 54.840 -0.145 0.000 0.745 377 L CB -1.615 40.390 42.059 -0.089 0.000 0.894 377 L HN -0.191 nan 8.230 nan 0.000 0.432 378 Y N 0.011 120.097 120.300 -0.356 0.000 2.314 378 Y HA -0.159 4.391 4.550 -0.000 0.000 0.293 378 Y C 2.688 178.194 175.900 -0.655 0.000 1.129 378 Y CA 1.595 59.428 58.100 -0.446 0.000 1.201 378 Y CB -0.318 37.818 38.460 -0.541 0.000 0.999 378 Y HN 0.420 nan 8.280 nan 0.000 0.541 379 E N 0.143 119.830 120.200 -0.854 0.000 2.072 379 E HA -0.187 4.162 4.350 -0.000 0.000 0.191 379 E C 2.337 178.514 176.600 -0.705 0.000 0.985 379 E CA 0.959 56.486 56.400 -1.455 0.000 0.801 379 E CB -0.137 28.636 29.700 -1.545 0.000 0.750 379 E HN 0.382 nan 8.360 nan 0.000 0.452 380 A N 1.482 124.044 122.820 -0.430 0.000 1.933 380 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 380 A C 2.229 179.564 177.584 -0.414 0.000 1.175 380 A CA 1.583 53.477 52.037 -0.237 0.000 0.628 380 A CB -0.618 18.336 19.000 -0.077 0.000 0.814 380 A HN 0.471 nan 8.150 nan 0.000 0.444 381 M N -0.272 118.904 119.600 -0.708 0.000 2.080 381 M HA -0.172 4.308 4.480 -0.000 0.000 0.260 381 M C 2.272 178.338 176.300 -0.389 0.000 1.068 381 M CA 1.921 56.583 55.300 -1.064 0.000 1.109 381 M CB -0.261 31.908 32.600 -0.718 0.000 1.342 381 M HN 0.412 nan 8.290 nan 0.000 0.405 382 A N -0.570 122.142 122.820 -0.179 0.000 1.933 382 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 382 A C 2.021 179.759 177.584 0.257 0.000 1.175 382 A CA 2.162 54.258 52.037 0.099 0.000 0.628 382 A CB -1.157 17.959 19.000 0.194 0.000 0.814 382 A HN 0.606 nan 8.150 nan 0.000 0.444 383 T N -1.122 113.576 114.554 0.239 0.000 2.857 383 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 383 T C 1.580 176.479 174.700 0.333 0.000 1.048 383 T CA 1.336 63.651 62.100 0.359 0.000 1.139 383 T CB -0.343 68.748 68.868 0.371 0.000 0.874 383 T HN 0.459 nan 8.240 nan 0.000 0.455 384 F N 2.120 122.082 119.950 0.020 0.000 2.146 384 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 384 F C 2.323 178.189 175.800 0.110 0.000 1.096 384 F CA 1.273 59.279 58.000 0.010 0.000 1.275 384 F CB -0.103 38.808 39.000 -0.148 0.000 1.008 384 F HN -0.056 nan 8.300 nan 0.000 0.480 385 K N -0.000 120.532 120.400 0.221 0.000 2.147 385 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 385 K C 2.241 178.882 176.600 0.069 0.000 1.049 385 K CA 1.331 57.704 56.287 0.143 0.000 0.936 385 K CB -0.712 31.864 32.500 0.126 0.000 0.722 385 K HN 0.399 nan 8.250 nan 0.000 0.446 386 G N 0.142 108.995 108.800 0.088 0.000 2.422 386 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 386 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 386 G C 1.150 175.991 174.900 -0.098 0.000 1.140 386 G CA 0.379 45.463 45.100 -0.027 0.000 0.775 386 G HN 0.240 nan 8.290 nan 0.000 0.545 387 F N 0.915 120.774 119.950 -0.152 0.000 2.206 387 F HA 0.095 4.621 4.527 -0.000 0.000 0.298 387 F C 2.816 178.504 175.800 -0.188 0.000 1.090 387 F CA 0.869 58.763 58.000 -0.177 0.000 1.323 387 F CB 0.032 38.862 39.000 -0.283 0.000 1.028 387 F HN -0.081 nan 8.300 nan 0.000 0.492 388 R N -0.193 120.288 120.500 -0.031 0.000 2.073 388 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 388 R C 2.098 178.298 176.300 -0.168 0.000 1.134 388 R CA 1.718 57.786 56.100 -0.054 0.000 0.952 388 R CB -1.786 28.516 30.300 0.002 0.000 0.850 388 R HN 0.188 nan 8.270 nan 0.000 0.433 389 T N 0.989 115.442 114.554 -0.169 0.000 2.849 389 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 389 T C 1.552 176.009 174.700 -0.404 0.000 1.066 389 T CA 1.488 63.433 62.100 -0.258 0.000 1.130 389 T CB -0.079 68.695 68.868 -0.157 0.000 0.864 389 T HN 0.194 nan 8.240 nan 0.000 0.481 390 S N -0.130 115.388 115.700 -0.303 0.000 2.556 390 S HA 0.057 4.527 4.470 -0.000 0.000 0.216 390 S C 0.019 174.545 174.600 -0.123 0.000 0.970 390 S CA -0.378 57.684 58.200 -0.229 0.000 0.912 390 S CB -0.077 63.010 63.200 -0.188 0.000 0.790 390 S HN 0.517 nan 8.310 nan 0.000 0.504 391 H N 0.420 119.494 119.070 0.008 0.000 2.741 391 H HA -0.135 4.421 4.556 -0.000 0.000 0.305 391 H C 0.307 175.666 175.328 0.052 0.000 1.169 391 H CA 0.637 56.703 56.048 0.031 0.000 1.144 391 H CB -1.262 28.514 29.762 0.023 0.000 1.397 391 H HN 0.228 nan 8.280 nan 0.000 0.409 392 R N 1.855 122.434 120.500 0.131 0.000 2.196 392 R HA 0.203 4.543 4.340 -0.000 0.000 0.340 392 R C 1.038 177.460 176.300 0.204 0.000 1.043 392 R CA -0.307 55.901 56.100 0.181 0.000 0.883 392 R CB 0.321 30.752 30.300 0.218 0.000 1.078 392 R HN 0.182 nan 8.270 nan 0.000 0.462 393 N N 2.607 121.421 118.700 0.190 0.000 2.333 393 N HA -0.066 4.674 4.740 -0.000 0.000 0.178 393 N C -0.585 175.044 175.510 0.199 0.000 1.018 393 N CA 0.747 53.902 53.050 0.175 0.000 0.882 393 N CB 0.318 38.900 38.487 0.159 0.000 0.984 393 N HN 0.606 nan 8.380 nan 0.000 0.434 394 E N 1.427 121.778 120.200 0.251 0.000 1.996 394 E HA 0.270 4.620 4.350 -0.000 0.000 0.280 394 E C -0.289 176.486 176.600 0.291 0.000 1.092 394 E CA -0.029 56.538 56.400 0.278 0.000 0.862 394 E CB 0.935 30.889 29.700 0.423 0.000 1.066 394 E HN 0.194 nan 8.360 nan 0.000 0.396 395 I N 3.259 123.908 120.570 0.130 0.000 2.359 395 I HA 0.352 4.521 4.170 -0.000 0.000 0.294 395 I C -0.590 175.495 176.117 -0.052 0.000 0.987 395 I CA -0.840 60.329 61.300 -0.218 0.000 1.225 395 I CB 0.825 38.544 38.000 -0.468 0.000 1.366 395 I HN 0.398 nan 8.210 nan 0.000 0.466 396 F N 8.069 127.788 119.950 -0.385 0.000 2.579 396 F HA 0.641 5.168 4.527 -0.000 0.000 0.325 396 F C -1.283 174.434 175.800 -0.138 0.000 1.162 396 F CA -0.483 57.408 58.000 -0.182 0.000 0.946 396 F CB 0.932 39.858 39.000 -0.123 0.000 1.211 396 F HN 0.174 nan 8.300 nan 0.000 0.447 397 I N 7.126 127.180 120.570 -0.860 0.000 2.533 397 I HA 0.392 4.561 4.170 -0.000 0.000 0.290 397 I C -1.454 174.307 176.117 -0.594 0.000 1.056 397 I CA -0.811 60.175 61.300 -0.523 0.000 1.057 397 I CB 2.234 40.093 38.000 -0.235 0.000 1.240 397 I HN 0.489 nan 8.210 nan 0.000 0.423 398 L N 4.761 125.775 121.223 -0.348 0.000 2.341 398 L HA 0.618 4.958 4.340 -0.000 0.000 0.278 398 L C -0.519 176.489 176.870 0.230 0.000 1.005 398 L CA -0.107 54.651 54.840 -0.138 0.000 0.818 398 L CB 1.964 43.922 42.059 -0.168 0.000 1.259 398 L HN 0.648 nan 8.230 nan 0.000 0.418 399 S N 3.266 119.132 115.700 0.276 0.000 2.548 399 S HA 0.461 4.931 4.470 -0.000 0.000 0.286 399 S C 0.400 175.183 174.600 0.305 0.000 1.098 399 S CA -0.635 57.742 58.200 0.296 0.000 0.930 399 S CB 2.303 65.580 63.200 0.127 0.000 1.070 399 S HN 0.834 nan 8.310 nan 0.000 0.480 400 R N 1.852 122.452 120.500 0.167 0.000 2.087 400 R HA 0.413 4.753 4.340 -0.000 0.000 0.216 400 R C 0.808 176.964 176.300 -0.240 0.000 1.114 400 R CA 0.983 56.882 56.100 -0.335 0.000 1.002 400 R CB -0.251 29.757 30.300 -0.486 0.000 0.903 400 R HN 0.691 nan 8.270 nan 0.000 0.445 401 A N -0.376 122.394 122.820 -0.082 0.000 2.248 401 A HA 0.720 5.040 4.320 -0.000 0.000 0.316 401 A C -0.230 177.362 177.584 0.014 0.000 1.101 401 A CA -0.059 51.969 52.037 -0.015 0.000 0.875 401 A CB 1.304 20.297 19.000 -0.012 0.000 1.207 401 A HN 0.454 nan 8.150 nan 0.000 0.504 402 G N -2.172 106.659 108.800 0.051 0.000 2.451 402 G HA2 0.524 4.484 3.960 -0.000 0.000 0.292 402 G HA3 0.524 4.484 3.960 -0.000 0.000 0.292 402 G C -1.915 173.097 174.900 0.187 0.000 1.427 402 G CA -0.194 44.956 45.100 0.084 0.000 0.792 402 G HN 1.424 nan 8.290 nan 0.000 0.498 403 Y N -0.179 120.145 120.300 0.039 0.000 2.670 403 Y HA 0.700 5.250 4.550 -0.000 0.000 0.334 403 Y C 0.227 176.188 175.900 0.102 0.000 1.185 403 Y CA -0.362 57.797 58.100 0.097 0.000 1.053 403 Y CB 1.407 39.942 38.460 0.124 0.000 1.298 403 Y HN 1.316 nan 8.280 nan 0.000 0.459 404 A N 1.458 123.836 122.820 -0.737 0.000 2.567 404 A HA 0.393 4.713 4.320 -0.000 0.000 0.240 404 A C 1.285 178.766 177.584 -0.171 0.000 1.053 404 A CA 1.483 53.254 52.037 -0.444 0.000 0.755 404 A CB -1.360 17.333 19.000 -0.512 0.000 0.978 404 A HN 2.043 nan 8.150 nan 0.000 0.507 405 G N 1.617 110.290 108.800 -0.211 0.000 2.232 405 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.226 405 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.226 405 G C 0.907 175.692 174.900 -0.191 0.000 0.996 405 G CA 0.622 45.618 45.100 -0.173 0.000 0.626 405 G HN 1.370 nan 8.290 nan 0.000 0.509 406 I N 2.063 122.575 120.570 -0.097 0.000 2.423 406 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 406 I C 2.811 178.844 176.117 -0.139 0.000 1.151 406 I CA 2.578 63.844 61.300 -0.057 0.000 1.421 406 I CB -0.109 37.892 38.000 0.001 0.000 1.079 406 I HN 0.539 nan 8.210 nan 0.000 0.431 407 Q N 0.710 120.394 119.800 -0.193 0.000 2.364 407 Q HA -0.225 4.115 4.340 -0.000 0.000 0.209 407 Q C 1.991 177.858 176.000 -0.221 0.000 0.977 407 Q CA 1.374 57.060 55.803 -0.195 0.000 0.885 407 Q CB -0.784 27.799 28.738 -0.259 0.000 0.941 407 Q HN 0.517 nan 8.270 nan 0.000 0.464 408 R N -0.498 119.700 120.500 -0.503 0.000 2.115 408 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 408 R C 0.895 176.622 176.300 -0.955 0.000 1.111 408 R CA 1.689 57.297 56.100 -0.820 0.000 0.976 408 R CB -0.071 29.327 30.300 -1.504 0.000 0.870 408 R HN 0.386 nan 8.270 nan 0.000 0.445 409 Y N -1.969 118.109 120.300 -0.369 0.000 2.432 409 Y HA 0.524 5.074 4.550 -0.000 0.000 0.252 409 Y C 0.409 176.018 175.900 -0.484 0.000 1.097 409 Y CA -0.399 57.344 58.100 -0.595 0.000 1.250 409 Y CB 0.811 39.018 38.460 -0.421 0.000 1.245 409 Y HN -0.032 nan 8.280 nan 0.000 0.522 410 A N -0.797 122.035 122.820 0.019 0.000 2.599 410 A HA 0.640 4.960 4.320 -0.000 0.000 0.290 410 A C -1.695 176.114 177.584 0.375 0.000 1.101 410 A CA -0.648 51.492 52.037 0.172 0.000 0.674 410 A CB 0.526 19.563 19.000 0.062 0.000 1.277 410 A HN -0.058 nan 8.150 nan 0.000 0.419 411 F N 0.058 120.036 119.950 0.046 0.000 2.370 411 F HA 0.676 5.203 4.527 -0.000 0.000 0.324 411 F C 0.502 176.279 175.800 -0.038 0.000 1.116 411 F CA -0.366 57.636 58.000 0.003 0.000 1.123 411 F CB 1.133 39.965 39.000 -0.279 0.000 1.238 411 F HN 0.312 nan 8.300 nan 0.000 0.536 412 I N 1.504 122.172 120.570 0.162 0.000 2.533 412 I HA 0.242 4.411 4.170 -0.000 0.000 0.290 412 I C -1.353 174.891 176.117 0.211 0.000 1.056 412 I CA -0.733 60.651 61.300 0.140 0.000 1.057 412 I CB 1.907 39.931 38.000 0.039 0.000 1.240 412 I HN 0.730 nan 8.210 nan 0.000 0.423 413 W N 4.971 126.266 121.300 -0.009 0.000 2.706 413 W HA 0.505 5.165 4.660 -0.000 0.000 0.346 413 W C 0.592 177.149 176.519 0.063 0.000 1.071 413 W CA -0.769 56.627 57.345 0.084 0.000 1.206 413 W CB 0.968 30.504 29.460 0.127 0.000 1.413 413 W HN 0.556 nan 8.180 nan 0.000 0.542 414 T N 1.328 115.808 114.554 -0.123 0.000 3.439 414 T HA 0.385 4.735 4.350 -0.000 0.000 0.251 414 T C 0.978 175.507 174.700 -0.285 0.000 1.108 414 T CA 0.426 62.418 62.100 -0.179 0.000 0.982 414 T CB -1.215 67.727 68.868 0.123 0.000 1.024 414 T HN 1.695 nan 8.240 nan 0.000 0.573 415 G N 2.052 110.156 108.800 -1.161 0.000 2.569 415 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.259 415 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.259 415 G C -0.600 174.413 174.900 0.189 0.000 1.263 415 G CA -0.154 44.528 45.100 -0.697 0.000 0.928 415 G HN 0.499 nan 8.290 nan 0.000 0.572 416 D N 2.655 123.229 120.400 0.290 0.000 2.671 416 D HA 0.207 4.847 4.640 -0.000 0.000 0.228 416 D C 1.159 177.601 176.300 0.237 0.000 1.102 416 D CA 0.216 54.389 54.000 0.289 0.000 1.044 416 D CB -0.750 40.208 40.800 0.263 0.000 1.113 416 D HN 0.617 nan 8.370 nan 0.000 0.480 417 N N -0.336 118.488 118.700 0.206 0.000 2.399 417 N HA 0.069 4.809 4.740 -0.000 0.000 0.250 417 N C -0.251 175.285 175.510 0.043 0.000 1.272 417 N CA -0.134 52.872 53.050 -0.074 0.000 0.928 417 N CB 0.575 39.154 38.487 0.153 0.000 1.158 417 N HN -0.200 nan 8.380 nan 0.000 0.463 418 T N 1.289 115.834 114.554 -0.014 0.000 2.771 418 T HA 0.380 4.730 4.350 -0.000 0.000 0.281 418 T C -2.580 172.160 174.700 0.065 0.000 0.982 418 T CA -1.120 61.017 62.100 0.062 0.000 0.978 418 T CB 1.409 70.366 68.868 0.149 0.000 0.930 418 T HN 0.423 nan 8.240 nan 0.000 0.447 419 P HA 0.269 nan 4.420 nan 0.000 0.266 419 P C -0.655 176.680 177.300 0.059 0.000 1.215 419 P CA 0.064 63.181 63.100 0.027 0.000 0.763 419 P CB 0.359 31.994 31.700 -0.110 0.000 0.806 420 S N 1.840 117.596 115.700 0.093 0.000 2.622 420 S HA 0.201 4.671 4.470 -0.000 0.000 0.275 420 S C -0.164 174.402 174.600 -0.057 0.000 1.112 420 S CA -0.881 57.333 58.200 0.024 0.000 0.837 420 S CB -0.176 63.084 63.200 0.100 0.000 1.082 420 S HN 0.260 nan 8.310 nan 0.000 0.456 421 W N 1.218 122.543 121.300 0.042 0.000 2.363 421 W HA 0.013 4.673 4.660 -0.000 0.000 0.296 421 W C 1.660 178.172 176.519 -0.011 0.000 1.212 421 W CA 1.583 58.926 57.345 -0.003 0.000 1.260 421 W CB -0.278 29.186 29.460 0.008 0.000 1.131 421 W HN 0.749 nan 8.180 nan 0.000 0.530 422 D N -0.394 120.130 120.400 0.207 0.000 2.178 422 D HA -0.183 4.457 4.640 -0.000 0.000 0.202 422 D C 1.417 177.760 176.300 0.073 0.000 0.974 422 D CA 1.621 55.693 54.000 0.119 0.000 0.841 422 D CB -0.631 40.220 40.800 0.086 0.000 0.953 422 D HN 0.201 nan 8.370 nan 0.000 0.478 423 D N 0.290 120.732 120.400 0.071 0.000 2.218 423 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 423 D C 2.213 178.541 176.300 0.045 0.000 0.976 423 D CA 0.403 54.457 54.000 0.090 0.000 0.853 423 D CB -0.058 40.843 40.800 0.169 0.000 0.939 423 D HN 0.133 nan 8.370 nan 0.000 0.481 424 L N -0.008 121.167 121.223 -0.080 0.000 2.012 424 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 424 L C 2.492 179.377 176.870 0.025 0.000 1.073 424 L CA 1.278 56.034 54.840 -0.139 0.000 0.748 424 L CB -0.392 41.562 42.059 -0.174 0.000 0.891 424 L HN 0.050 nan 8.230 nan 0.000 0.431 425 K N -0.193 120.240 120.400 0.054 0.000 2.103 425 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 425 K C 2.128 178.778 176.600 0.082 0.000 1.052 425 K CA 0.880 57.213 56.287 0.077 0.000 0.945 425 K CB -0.123 32.418 32.500 0.069 0.000 0.722 425 K HN 0.251 nan 8.250 nan 0.000 0.443 426 L N 1.294 122.562 121.223 0.075 0.000 2.017 426 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 426 L C 2.356 179.307 176.870 0.135 0.000 1.073 426 L CA 1.504 56.397 54.840 0.088 0.000 0.745 426 L CB -0.244 41.877 42.059 0.103 0.000 0.894 426 L HN 0.295 nan 8.230 nan 0.000 0.432 427 Q N -0.543 119.364 119.800 0.178 0.000 2.135 427 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 427 Q C 2.095 178.187 176.000 0.152 0.000 0.981 427 Q CA 1.287 57.221 55.803 0.218 0.000 0.856 427 Q CB -0.573 28.353 28.738 0.315 0.000 0.902 427 Q HN 0.366 nan 8.270 nan 0.000 0.425 428 L N 1.026 122.342 121.223 0.155 0.000 2.093 428 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 428 L C 2.136 179.017 176.870 0.019 0.000 1.085 428 L CA 1.739 56.641 54.840 0.102 0.000 0.755 428 L CB -0.533 41.619 42.059 0.155 0.000 0.904 428 L HN 0.229 nan 8.230 nan 0.000 0.435 429 Q N -1.655 118.181 119.800 0.060 0.000 2.123 429 Q HA -0.171 4.168 4.340 -0.000 0.000 0.199 429 Q C 2.071 178.090 176.000 0.032 0.000 0.966 429 Q CA 0.954 56.795 55.803 0.063 0.000 0.845 429 Q CB -0.145 28.652 28.738 0.099 0.000 0.907 429 Q HN 0.306 nan 8.270 nan 0.000 0.439 430 L N 0.301 121.542 121.223 0.031 0.000 1.994 430 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 430 L C 2.482 179.317 176.870 -0.059 0.000 1.071 430 L CA 1.593 56.437 54.840 0.006 0.000 0.745 430 L CB -1.260 40.823 42.059 0.040 0.000 0.892 430 L HN 0.235 nan 8.230 nan 0.000 0.431 431 V N -3.384 116.453 119.914 -0.129 0.000 2.427 431 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 431 V C 2.296 178.243 176.094 -0.244 0.000 1.051 431 V CA 1.273 63.423 62.300 -0.251 0.000 1.048 431 V CB -0.767 30.715 31.823 -0.569 0.000 0.666 431 V HN 0.360 nan 8.190 nan 0.000 0.456 432 L N 1.090 122.188 121.223 -0.207 0.000 2.156 432 L HA 0.094 4.434 4.340 -0.000 0.000 0.208 432 L C 2.832 179.645 176.870 -0.094 0.000 1.095 432 L CA 1.463 56.202 54.840 -0.167 0.000 0.770 432 L CB -1.138 40.845 42.059 -0.126 0.000 0.914 432 L HN 0.503 nan 8.230 nan 0.000 0.439 433 G N -0.050 108.720 108.800 -0.050 0.000 2.408 433 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 433 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 433 G C 1.530 176.389 174.900 -0.068 0.000 1.150 433 G CA 0.237 45.324 45.100 -0.022 0.000 0.776 433 G HN 0.098 nan 8.290 nan 0.000 0.542 434 L N 0.986 122.155 121.223 -0.090 0.000 2.027 434 L HA 0.053 4.393 4.340 -0.000 0.000 0.206 434 L C 3.034 179.821 176.870 -0.138 0.000 1.074 434 L CA 1.935 56.710 54.840 -0.108 0.000 0.745 434 L CB -0.923 41.075 42.059 -0.102 0.000 0.898 434 L HN 0.278 nan 8.230 nan 0.000 0.433 435 S N -0.842 114.764 115.700 -0.156 0.000 2.368 435 S HA -0.172 4.297 4.470 -0.000 0.000 0.225 435 S C 1.931 176.431 174.600 -0.167 0.000 1.030 435 S CA 1.233 59.322 58.200 -0.185 0.000 0.999 435 S CB -0.324 62.750 63.200 -0.210 0.000 0.844 435 S HN 0.316 nan 8.310 nan 0.000 0.459 436 I N 1.245 121.744 120.570 -0.118 0.000 3.176 436 I HA 0.134 4.304 4.170 -0.000 0.000 0.275 436 I C 1.129 177.195 176.117 -0.085 0.000 1.298 436 I CA 0.714 61.986 61.300 -0.047 0.000 1.445 436 I CB -0.087 37.957 38.000 0.073 0.000 1.075 436 I HN 0.124 nan 8.210 nan 0.000 0.482 437 S N 0.241 115.852 115.700 -0.147 0.000 2.582 437 S HA 0.449 4.919 4.470 -0.000 0.000 0.234 437 S C 1.314 175.744 174.600 -0.285 0.000 0.961 437 S CA 0.341 58.396 58.200 -0.242 0.000 0.953 437 S CB 0.176 63.254 63.200 -0.202 0.000 0.800 437 S HN 0.646 nan 8.310 nan 0.000 0.471 438 G N 0.751 109.434 108.800 -0.196 0.000 2.176 438 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 438 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 438 G C 0.037 174.838 174.900 -0.165 0.000 0.986 438 G CA -0.076 44.962 45.100 -0.103 0.000 0.643 438 G HN 0.454 nan 8.290 nan 0.000 0.522 439 V N 2.571 122.368 119.914 -0.196 0.000 2.275 439 V HA 0.352 4.471 4.120 -0.000 0.000 0.272 439 V C -0.274 175.642 176.094 -0.297 0.000 1.028 439 V CA -0.604 61.555 62.300 -0.235 0.000 0.810 439 V CB 1.464 33.191 31.823 -0.161 0.000 1.043 439 V HN 0.182 nan 8.190 nan 0.000 0.453 440 P HA -0.019 nan 4.420 nan 0.000 0.218 440 P C 0.288 177.353 177.300 -0.392 0.000 1.152 440 P CA 0.775 63.559 63.100 -0.526 0.000 0.826 440 P CB 0.249 31.465 31.700 -0.807 0.000 0.790 441 F N 2.376 122.128 119.950 -0.331 0.000 2.377 441 F HA 0.274 4.801 4.527 -0.000 0.000 0.360 441 F C 0.953 176.558 175.800 -0.325 0.000 1.147 441 F CA -1.455 56.213 58.000 -0.553 0.000 1.170 441 F CB -0.361 37.760 39.000 -1.464 0.000 1.339 441 F HN -0.181 nan 8.300 nan 0.000 0.552 442 V N -0.228 119.742 119.914 0.094 0.000 3.160 442 V HA 1.132 5.252 4.120 -0.000 0.000 0.310 442 V C -0.232 176.046 176.094 0.307 0.000 1.181 442 V CA -0.761 61.627 62.300 0.147 0.000 1.047 442 V CB 1.713 33.525 31.823 -0.018 0.000 1.068 442 V HN 0.786 nan 8.190 nan 0.000 0.441 443 G N -1.016 108.005 108.800 0.370 0.000 2.488 443 G HA2 0.697 4.657 3.960 -0.000 0.000 0.301 443 G HA3 0.697 4.657 3.960 -0.000 0.000 0.301 443 G C -0.948 174.248 174.900 0.494 0.000 1.339 443 G CA 0.029 45.432 45.100 0.504 0.000 0.803 443 G HN 2.132 nan 8.290 nan 0.000 0.482 444 C N -1.192 118.419 119.300 0.518 0.000 3.154 444 C HA 0.803 5.263 4.460 -0.000 0.000 0.312 444 C C -1.028 174.171 174.990 0.348 0.000 1.349 444 C CA -1.164 58.136 59.018 0.470 0.000 1.518 444 C CB 1.721 29.723 27.740 0.437 0.000 1.934 444 C HN 0.625 nan 8.230 nan 0.000 0.462 445 D N 1.930 122.537 120.400 0.346 0.000 2.346 445 D HA 0.292 4.932 4.640 -0.000 0.000 0.260 445 D C 0.335 176.590 176.300 -0.075 0.000 1.252 445 D CA 0.579 54.665 54.000 0.144 0.000 0.895 445 D CB 0.569 41.539 40.800 0.283 0.000 1.097 445 D HN 0.531 nan 8.370 nan 0.000 0.489 446 I N 1.611 122.036 120.570 -0.243 0.000 2.662 446 I HA 0.069 4.239 4.170 -0.000 0.000 0.285 446 I C 1.670 177.445 176.117 -0.569 0.000 1.161 446 I CA 0.524 61.554 61.300 -0.450 0.000 1.415 446 I CB 0.418 37.950 38.000 -0.780 0.000 1.385 446 I HN 0.657 nan 8.210 nan 0.000 0.552 447 G N 4.016 112.225 108.800 -0.985 0.000 2.195 447 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.246 447 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.246 447 G C 0.584 174.983 174.900 -0.835 0.000 0.984 447 G CA -0.110 44.471 45.100 -0.866 0.000 0.633 447 G HN 1.570 nan 8.290 nan 0.000 0.525 448 G N -1.505 106.843 108.800 -0.754 0.000 2.764 448 G HA2 0.136 4.096 3.960 -0.000 0.000 0.686 448 G HA3 0.136 4.096 3.960 -0.000 0.000 0.686 448 G C 0.236 175.077 174.900 -0.099 0.000 1.258 448 G CA 0.210 45.119 45.100 -0.319 0.000 0.846 448 G HN 1.555 nan 8.290 nan 0.000 0.596 449 F N 2.014 121.935 119.950 -0.049 0.000 2.098 449 F HA 0.130 4.657 4.527 -0.000 0.000 0.294 449 F C 1.802 177.587 175.800 -0.025 0.000 1.107 449 F CA 1.704 59.703 58.000 -0.002 0.000 1.234 449 F CB -0.097 39.006 39.000 0.171 0.000 1.002 449 F HN 0.604 nan 8.300 nan 0.000 0.472 450 Q N 1.233 120.949 119.800 -0.141 0.000 2.304 450 Q HA 0.065 4.405 4.340 -0.000 0.000 0.301 450 Q C 0.925 176.698 176.000 -0.378 0.000 1.063 450 Q CA 0.801 56.447 55.803 -0.261 0.000 0.947 450 Q CB 0.288 29.006 28.738 -0.034 0.000 1.201 450 Q HN 0.514 nan 8.270 nan 0.000 0.389 451 G N 2.352 110.914 108.800 -0.396 0.000 2.568 451 G HA2 0.070 4.030 3.960 -0.000 0.000 0.212 451 G HA3 0.070 4.030 3.960 -0.000 0.000 0.212 451 G C 0.049 174.762 174.900 -0.310 0.000 1.821 451 G CA -0.118 44.782 45.100 -0.334 0.000 0.904 451 G HN 0.521 nan 8.290 nan 0.000 0.566 452 R N 0.721 121.063 120.500 -0.262 0.000 2.579 452 R HA 0.191 4.530 4.340 -0.000 0.000 0.386 452 R C 0.428 176.625 176.300 -0.172 0.000 1.065 452 R CA -0.186 55.770 56.100 -0.239 0.000 1.143 452 R CB 0.294 30.494 30.300 -0.166 0.000 1.357 452 R HN 0.448 nan 8.270 nan 0.000 0.644 453 N N 0.967 119.569 118.700 -0.164 0.000 2.336 453 N HA 0.010 4.750 4.740 -0.000 0.000 0.189 453 N C -0.166 175.454 175.510 0.184 0.000 1.113 453 N CA 0.174 53.242 53.050 0.029 0.000 0.858 453 N CB 0.257 38.817 38.487 0.123 0.000 0.970 453 N HN 0.222 nan 8.380 nan 0.000 0.471 454 F N -4.393 115.557 119.950 -0.001 0.000 2.688 454 F HA 0.710 5.236 4.527 -0.000 0.000 0.308 454 F C 0.728 176.532 175.800 0.005 0.000 1.117 454 F CA -1.243 56.763 58.000 0.009 0.000 0.976 454 F CB 0.575 39.588 39.000 0.023 0.000 1.291 454 F HN -0.155 nan 8.300 nan 0.000 0.439 455 A N 0.498 123.431 122.820 0.188 0.000 1.948 455 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 455 A C 1.186 178.825 177.584 0.091 0.000 1.177 455 A CA 1.933 54.027 52.037 0.095 0.000 0.636 455 A CB -0.880 18.183 19.000 0.105 0.000 0.815 455 A HN 0.779 nan 8.150 nan 0.000 0.449 456 E N -0.080 120.274 120.200 0.257 0.000 2.528 456 E HA 0.287 4.637 4.350 -0.000 0.000 0.237 456 E C -0.545 176.121 176.600 0.111 0.000 1.408 456 E CA 0.216 56.751 56.400 0.224 0.000 1.571 456 E CB -0.544 29.345 29.700 0.315 0.000 1.395 456 E HN 0.602 nan 8.360 nan 0.000 0.438 457 I N 0.432 120.945 120.570 -0.096 0.000 2.433 457 I HA 0.228 4.398 4.170 -0.000 0.000 0.292 457 I C -0.340 175.722 176.117 -0.093 0.000 1.001 457 I CA -0.983 60.206 61.300 -0.186 0.000 1.119 457 I CB 1.780 39.516 38.000 -0.441 0.000 1.289 457 I HN -0.117 nan 8.210 nan 0.000 0.438 458 D N 5.985 126.354 120.400 -0.051 0.000 2.427 458 D HA 0.206 4.845 4.640 -0.000 0.000 0.226 458 D C -0.136 176.127 176.300 -0.061 0.000 1.076 458 D CA -0.209 53.779 54.000 -0.020 0.000 0.849 458 D CB 0.818 41.638 40.800 0.034 0.000 1.052 458 D HN 0.384 nan 8.370 nan 0.000 0.515 459 N N 1.803 120.463 118.700 -0.067 0.000 2.279 459 N HA -0.004 4.736 4.740 -0.000 0.000 0.226 459 N C 0.110 175.579 175.510 -0.068 0.000 1.126 459 N CA -0.114 52.885 53.050 -0.086 0.000 0.846 459 N CB 0.499 38.925 38.487 -0.102 0.000 1.050 459 N HN 0.380 nan 8.380 nan 0.000 0.502 460 S N -0.349 115.328 115.700 -0.039 0.000 2.568 460 S HA 0.131 4.601 4.470 -0.000 0.000 0.282 460 S C 1.568 176.105 174.600 -0.105 0.000 1.338 460 S CA -0.312 57.869 58.200 -0.032 0.000 1.045 460 S CB 1.130 64.371 63.200 0.070 0.000 0.873 460 S HN 0.113 nan 8.310 nan 0.000 0.516 461 M N 1.385 120.849 119.600 -0.225 0.000 2.254 461 M HA -0.076 4.404 4.480 -0.000 0.000 0.265 461 M C 1.783 177.850 176.300 -0.388 0.000 1.066 461 M CA 1.353 56.392 55.300 -0.434 0.000 1.123 461 M CB -0.525 31.537 32.600 -0.897 0.000 1.388 461 M HN 0.883 nan 8.290 nan 0.000 0.425 462 D N 0.666 120.955 120.400 -0.186 0.000 2.224 462 D HA -0.156 4.484 4.640 -0.000 0.000 0.205 462 D C 1.901 178.263 176.300 0.103 0.000 0.965 462 D CA 0.876 54.972 54.000 0.159 0.000 0.852 462 D CB -0.575 40.462 40.800 0.396 0.000 0.947 462 D HN 0.381 nan 8.370 nan 0.000 0.494 463 L N -0.195 120.986 121.223 -0.070 0.000 2.072 463 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 463 L C 2.473 179.271 176.870 -0.120 0.000 1.079 463 L CA 0.720 55.281 54.840 -0.465 0.000 0.752 463 L CB -0.234 41.469 42.059 -0.593 0.000 0.906 463 L HN 0.039 nan 8.230 nan 0.000 0.436 464 L N -0.325 120.901 121.223 0.005 0.000 2.042 464 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 464 L C 2.326 179.352 176.870 0.260 0.000 1.076 464 L CA 1.794 56.715 54.840 0.134 0.000 0.749 464 L CB -0.636 41.461 42.059 0.062 0.000 0.893 464 L HN 0.020 nan 8.230 nan 0.000 0.432 465 V N -0.202 119.827 119.914 0.192 0.000 2.407 465 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 465 V C 2.672 178.901 176.094 0.226 0.000 1.055 465 V CA 1.669 64.114 62.300 0.242 0.000 1.049 465 V CB -0.792 31.166 31.823 0.225 0.000 0.662 465 V HN 0.420 nan 8.190 nan 0.000 0.455 466 K N -0.942 119.529 120.400 0.118 0.000 2.211 466 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 466 K C 1.979 178.577 176.600 -0.003 0.000 1.050 466 K CA 1.392 57.704 56.287 0.042 0.000 0.945 466 K CB -0.513 31.929 32.500 -0.096 0.000 0.732 466 K HN 0.527 nan 8.250 nan 0.000 0.451 467 Y N -0.120 120.159 120.300 -0.036 0.000 2.163 467 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 467 Y C 2.235 178.070 175.900 -0.109 0.000 1.136 467 Y CA 1.411 59.450 58.100 -0.101 0.000 1.147 467 Y CB -0.539 37.810 38.460 -0.184 0.000 0.987 467 Y HN 0.027 nan 8.280 nan 0.000 0.509 468 Y N -1.013 119.354 120.300 0.111 0.000 2.165 468 Y HA -0.295 4.255 4.550 -0.000 0.000 0.286 468 Y C 2.496 178.476 175.900 0.133 0.000 1.155 468 Y CA 1.390 59.532 58.100 0.070 0.000 1.164 468 Y CB -0.735 37.773 38.460 0.080 0.000 0.978 468 Y HN 0.109 nan 8.280 nan 0.000 0.513 469 A N -0.687 122.296 122.820 0.271 0.000 1.929 469 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 469 A C 2.135 179.870 177.584 0.250 0.000 1.176 469 A CA 1.291 53.469 52.037 0.236 0.000 0.628 469 A CB -0.965 18.175 19.000 0.233 0.000 0.816 469 A HN 0.442 nan 8.150 nan 0.000 0.444 470 L N -0.262 121.038 121.223 0.128 0.000 2.046 470 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 470 L C 2.233 178.988 176.870 -0.192 0.000 1.077 470 L CA 2.251 57.129 54.840 0.063 0.000 0.747 470 L CB -0.373 41.657 42.059 -0.050 0.000 0.896 470 L HN 0.273 nan 8.230 nan 0.000 0.432 471 A N -1.190 121.380 122.820 -0.416 0.000 2.337 471 A HA 0.116 4.436 4.320 -0.000 0.000 0.227 471 A C 1.822 179.342 177.584 -0.106 0.000 1.259 471 A CA 0.371 51.849 52.037 -0.931 0.000 0.870 471 A CB -0.809 17.891 19.000 -0.501 0.000 0.927 471 A HN 0.466 nan 8.150 nan 0.000 0.497 472 L N -1.105 120.097 121.223 -0.036 0.000 2.064 472 L HA -0.167 4.173 4.340 -0.000 0.000 0.216 472 L C 1.305 177.831 176.870 -0.574 0.000 1.077 472 L CA 2.301 56.918 54.840 -0.372 0.000 0.766 472 L CB -0.581 41.042 42.059 -0.727 0.000 0.890 472 L HN 0.430 nan 8.230 nan 0.000 0.435 473 F N -2.024 117.980 119.950 0.090 0.000 2.653 473 F HA 0.254 4.781 4.527 -0.000 0.000 0.304 473 F C 0.551 176.646 175.800 0.492 0.000 1.092 473 F CA -1.098 57.031 58.000 0.215 0.000 1.279 473 F CB -0.273 38.843 39.000 0.194 0.000 1.044 473 F HN -0.212 nan 8.300 nan 0.000 0.564 474 F N 2.077 122.280 119.950 0.422 0.000 2.506 474 F HA 0.171 4.698 4.527 -0.000 0.000 0.351 474 F C -1.050 174.989 175.800 0.399 0.000 1.136 474 F CA -2.992 55.219 58.000 0.350 0.000 1.298 474 F CB -0.077 39.114 39.000 0.318 0.000 1.145 474 F HN -0.141 nan 8.300 nan 0.000 0.593 475 P HA -0.167 nan 4.420 nan 0.000 0.215 475 P C 0.004 177.726 177.300 0.703 0.000 1.157 475 P CA 1.311 64.817 63.100 0.678 0.000 0.863 475 P CB 0.139 32.191 31.700 0.586 0.000 0.787 476 F N -0.120 120.129 119.950 0.499 0.000 2.385 476 F HA 0.372 4.899 4.527 -0.000 0.000 0.360 476 F C -0.703 175.367 175.800 0.449 0.000 1.122 476 F CA -1.409 56.871 58.000 0.467 0.000 1.090 476 F CB 0.205 39.517 39.000 0.520 0.000 1.150 476 F HN -0.158 nan 8.300 nan 0.000 0.472 477 Y N 7.429 127.573 120.300 -0.260 0.000 2.842 477 Y HA 0.451 5.001 4.550 -0.000 0.000 0.334 477 Y C -0.571 175.092 175.900 -0.396 0.000 1.019 477 Y CA -0.572 57.410 58.100 -0.198 0.000 1.258 477 Y CB 0.113 38.572 38.460 -0.002 0.000 1.106 477 Y HN 0.647 nan 8.280 nan 0.000 0.545 478 R N 2.727 122.813 120.500 -0.691 0.000 2.686 478 R HA 0.568 4.908 4.340 -0.000 0.000 0.283 478 R C -1.249 174.782 176.300 -0.448 0.000 0.978 478 R CA -0.606 55.100 56.100 -0.656 0.000 0.897 478 R CB 1.762 31.414 30.300 -1.080 0.000 1.192 478 R HN 0.487 nan 8.270 nan 0.000 0.457 479 S N 2.075 117.595 115.700 -0.300 0.000 2.429 479 S HA 0.316 4.786 4.470 -0.000 0.000 0.302 479 S C -1.373 173.180 174.600 -0.078 0.000 1.115 479 S CA -0.431 57.657 58.200 -0.187 0.000 1.095 479 S CB 0.547 63.733 63.200 -0.023 0.000 0.987 479 S HN 0.667 nan 8.310 nan 0.000 0.474 480 H N 2.543 121.515 119.070 -0.163 0.000 2.894 480 H HA 0.732 5.288 4.556 -0.000 0.000 0.367 480 H C -1.046 174.305 175.328 0.037 0.000 1.144 480 H CA -0.557 55.451 56.048 -0.067 0.000 1.180 480 H CB 1.493 31.198 29.762 -0.096 0.000 1.758 480 H HN 0.588 nan 8.280 nan 0.000 0.541 481 K N 2.657 122.837 120.400 -0.368 0.000 2.502 481 K HA 0.790 5.110 4.320 -0.000 0.000 0.257 481 K C -1.277 175.033 176.600 -0.483 0.000 0.938 481 K CA -0.226 55.841 56.287 -0.367 0.000 0.819 481 K CB 1.916 34.272 32.500 -0.240 0.000 1.333 481 K HN 0.700 nan 8.250 nan 0.000 0.434 482 A N 1.321 123.703 122.820 -0.729 0.000 2.346 482 A HA 0.242 4.562 4.320 -0.000 0.000 0.252 482 A C 0.720 178.101 177.584 -0.339 0.000 1.089 482 A CA 0.519 52.179 52.037 -0.629 0.000 0.797 482 A CB -0.294 18.136 19.000 -0.950 0.000 1.047 482 A HN 0.885 nan 8.150 nan 0.000 0.494 483 T N 0.818 115.170 114.554 -0.336 0.000 2.665 483 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 483 T C 1.090 175.643 174.700 -0.245 0.000 1.035 483 T CA 1.938 63.829 62.100 -0.349 0.000 1.151 483 T CB -0.354 68.239 68.868 -0.458 0.000 0.862 483 T HN 0.877 nan 8.240 nan 0.000 0.438 484 D N 1.412 121.680 120.400 -0.221 0.000 2.325 484 D HA 0.177 4.817 4.640 -0.000 0.000 0.225 484 D C 0.796 176.982 176.300 -0.189 0.000 1.096 484 D CA -0.281 53.614 54.000 -0.175 0.000 0.844 484 D CB -0.532 40.187 40.800 -0.135 0.000 0.925 484 D HN 0.389 nan 8.370 nan 0.000 0.513 485 G N 1.116 109.780 108.800 -0.227 0.000 2.476 485 G HA2 0.479 4.439 3.960 -0.000 0.000 0.286 485 G HA3 0.479 4.439 3.960 -0.000 0.000 0.286 485 G C 0.718 175.508 174.900 -0.183 0.000 1.177 485 G CA -0.895 44.071 45.100 -0.224 0.000 0.870 485 G HN 0.364 nan 8.290 nan 0.000 0.528 486 I N -1.164 119.309 120.570 -0.161 0.000 2.993 486 I HA 0.138 4.308 4.170 -0.000 0.000 0.286 486 I C -0.516 175.523 176.117 -0.130 0.000 1.215 486 I CA -0.554 60.663 61.300 -0.140 0.000 1.393 486 I CB 0.524 38.455 38.000 -0.114 0.000 1.371 486 I HN 0.201 nan 8.210 nan 0.000 0.602 487 D N 3.718 124.029 120.400 -0.148 0.000 2.371 487 D HA 0.057 4.697 4.640 -0.000 0.000 0.256 487 D C 1.030 177.350 176.300 0.033 0.000 1.193 487 D CA 0.363 54.299 54.000 -0.106 0.000 0.881 487 D CB 1.340 41.904 40.800 -0.392 0.000 1.143 487 D HN 0.781 nan 8.370 nan 0.000 0.473 488 T N -1.002 113.608 114.554 0.093 0.000 3.092 488 T HA 0.096 4.446 4.350 -0.000 0.000 0.258 488 T C 0.446 175.263 174.700 0.196 0.000 1.031 488 T CA -0.539 61.629 62.100 0.113 0.000 0.925 488 T CB 0.290 69.177 68.868 0.032 0.000 1.036 488 T HN 0.060 nan 8.240 nan 0.000 0.544 489 E N 2.998 123.374 120.200 0.292 0.000 2.384 489 E HA 0.214 4.564 4.350 -0.000 0.000 0.266 489 E C -1.706 174.891 176.600 -0.004 0.000 1.012 489 E CA -2.222 54.275 56.400 0.161 0.000 0.901 489 E CB 0.578 30.355 29.700 0.129 0.000 0.967 489 E HN 0.111 nan 8.360 nan 0.000 0.435 490 P HA -0.218 nan 4.420 nan 0.000 0.216 490 P C 1.135 178.257 177.300 -0.297 0.000 1.150 490 P CA 1.210 64.084 63.100 -0.377 0.000 0.843 490 P CB 0.028 31.115 31.700 -1.023 0.000 0.787 491 V N -5.274 114.368 119.914 -0.453 0.000 3.026 491 V HA -0.138 3.982 4.120 -0.000 0.000 0.265 491 V C 1.375 177.249 176.094 -0.366 0.000 1.121 491 V CA 1.630 63.701 62.300 -0.382 0.000 1.142 491 V CB -1.770 29.731 31.823 -0.536 0.000 0.730 491 V HN -0.057 nan 8.190 nan 0.000 0.503 492 F N 0.255 120.201 119.950 -0.006 0.000 2.693 492 F HA 0.520 5.047 4.527 -0.000 0.000 0.303 492 F C 0.872 176.693 175.800 0.035 0.000 1.097 492 F CA -0.927 57.081 58.000 0.014 0.000 1.330 492 F CB -0.228 38.773 39.000 0.003 0.000 1.067 492 F HN 0.084 nan 8.300 nan 0.000 0.565 493 L N 0.973 122.298 121.223 0.170 0.000 2.379 493 L HA 0.395 4.735 4.340 -0.000 0.000 0.269 493 L C -2.055 174.933 176.870 0.196 0.000 1.084 493 L CA -2.038 52.909 54.840 0.180 0.000 0.802 493 L CB 0.627 42.787 42.059 0.169 0.000 1.175 493 L HN -0.234 nan 8.230 nan 0.000 0.448 494 P HA 0.002 nan 4.420 nan 0.000 0.269 494 P C -0.020 177.400 177.300 0.200 0.000 1.209 494 P CA -0.205 63.028 63.100 0.222 0.000 0.776 494 P CB 0.509 32.378 31.700 0.283 0.000 0.876 495 D N 0.791 121.273 120.400 0.136 0.000 2.170 495 D HA -0.257 4.383 4.640 -0.000 0.000 0.193 495 D C 1.588 177.932 176.300 0.073 0.000 1.004 495 D CA 1.785 55.843 54.000 0.096 0.000 0.860 495 D CB -0.548 40.294 40.800 0.069 0.000 0.931 495 D HN 0.497 nan 8.370 nan 0.000 0.448 496 Y N 0.597 120.859 120.300 -0.064 0.000 2.081 496 Y HA -0.339 4.211 4.550 -0.000 0.000 0.280 496 Y C 2.168 177.933 175.900 -0.224 0.000 1.163 496 Y CA 1.733 59.711 58.100 -0.203 0.000 1.135 496 Y CB -0.622 37.613 38.460 -0.376 0.000 0.970 496 Y HN -0.013 nan 8.280 nan 0.000 0.498 497 Y N 0.134 120.467 120.300 0.055 0.000 2.286 497 Y HA -0.074 4.476 4.550 -0.000 0.000 0.293 497 Y C 2.571 178.445 175.900 -0.042 0.000 1.124 497 Y CA 1.528 59.612 58.100 -0.026 0.000 1.178 497 Y CB -0.663 37.861 38.460 0.107 0.000 1.010 497 Y HN 0.080 nan 8.280 nan 0.000 0.536 498 K N 0.385 120.880 120.400 0.159 0.000 2.063 498 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 498 K C 1.949 178.613 176.600 0.107 0.000 1.048 498 K CA 1.670 58.047 56.287 0.151 0.000 0.928 498 K CB -0.010 32.590 32.500 0.167 0.000 0.713 498 K HN 0.080 nan 8.250 nan 0.000 0.442 499 E N 1.001 121.198 120.200 -0.005 0.000 2.110 499 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 499 E C 1.806 178.349 176.600 -0.095 0.000 0.988 499 E CA 1.169 57.527 56.400 -0.070 0.000 0.804 499 E CB 0.097 29.731 29.700 -0.110 0.000 0.745 499 E HN 0.344 nan 8.360 nan 0.000 0.458 500 K N 0.056 120.377 120.400 -0.133 0.000 2.057 500 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 500 K C 2.189 178.754 176.600 -0.058 0.000 1.050 500 K CA 1.064 57.282 56.287 -0.115 0.000 0.935 500 K CB -0.029 32.386 32.500 -0.142 0.000 0.715 500 K HN -0.034 nan 8.250 nan 0.000 0.439 501 V N 1.783 121.659 119.914 -0.063 0.000 2.427 501 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 501 V C 2.312 178.385 176.094 -0.035 0.000 1.051 501 V CA 1.592 63.783 62.300 -0.182 0.000 1.048 501 V CB -0.366 31.219 31.823 -0.396 0.000 0.666 501 V HN 0.314 nan 8.190 nan 0.000 0.456 502 K N 0.204 120.633 120.400 0.048 0.000 2.032 502 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 502 K C 2.115 178.647 176.600 -0.113 0.000 1.048 502 K CA 1.935 58.129 56.287 -0.156 0.000 0.927 502 K CB -0.111 32.170 32.500 -0.366 0.000 0.712 502 K HN 0.589 nan 8.250 nan 0.000 0.441 503 E N 0.237 120.398 120.200 -0.065 0.000 2.150 503 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 503 E C 2.050 178.669 176.600 0.031 0.000 0.985 503 E CA 1.035 57.428 56.400 -0.012 0.000 0.814 503 E CB -0.036 29.663 29.700 -0.002 0.000 0.752 503 E HN 0.370 nan 8.360 nan 0.000 0.466 504 I N 0.680 121.261 120.570 0.019 0.000 2.252 504 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 504 I C 2.312 178.422 176.117 -0.011 0.000 1.102 504 I CA 0.736 62.056 61.300 0.033 0.000 1.385 504 I CB -0.119 37.927 38.000 0.077 0.000 1.064 504 I HN -0.026 nan 8.210 nan 0.000 0.414 505 V N 0.771 120.680 119.914 -0.007 0.000 2.407 505 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 505 V C 2.294 178.437 176.094 0.080 0.000 1.055 505 V CA 1.826 64.111 62.300 -0.024 0.000 1.049 505 V CB -0.690 31.135 31.823 0.003 0.000 0.662 505 V HN 0.440 nan 8.190 nan 0.000 0.455 506 E N -0.153 120.100 120.200 0.087 0.000 2.106 506 E HA -0.225 4.124 4.350 -0.000 0.000 0.192 506 E C 2.114 178.796 176.600 0.137 0.000 0.984 506 E CA 1.147 57.626 56.400 0.132 0.000 0.806 506 E CB -0.202 29.527 29.700 0.048 0.000 0.750 506 E HN 0.412 nan 8.360 nan 0.000 0.458 507 L N 1.381 122.663 121.223 0.099 0.000 2.141 507 L HA -0.138 4.201 4.340 -0.000 0.000 0.209 507 L C 2.334 179.267 176.870 0.104 0.000 1.094 507 L CA 1.591 56.515 54.840 0.141 0.000 0.763 507 L CB -0.268 41.879 42.059 0.146 0.000 0.908 507 L HN -0.062 nan 8.230 nan 0.000 0.437 508 R N -1.861 118.583 120.500 -0.093 0.000 2.073 508 R HA -0.221 4.119 4.340 -0.000 0.000 0.234 508 R C 2.280 178.526 176.300 -0.091 0.000 1.134 508 R CA 1.882 57.831 56.100 -0.251 0.000 0.952 508 R CB -0.548 29.388 30.300 -0.606 0.000 0.850 508 R HN 0.362 nan 8.270 nan 0.000 0.433 509 Y N 0.925 121.227 120.300 0.004 0.000 2.333 509 Y HA -0.180 4.370 4.550 -0.000 0.000 0.290 509 Y C 2.368 178.305 175.900 0.062 0.000 1.144 509 Y CA 1.697 59.823 58.100 0.044 0.000 1.228 509 Y CB -0.161 38.320 38.460 0.036 0.000 0.985 509 Y HN 0.123 nan 8.280 nan 0.000 0.542 510 K N -0.688 119.828 120.400 0.193 0.000 2.148 510 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 510 K C 1.003 177.580 176.600 -0.039 0.000 1.050 510 K CA 1.255 57.579 56.287 0.061 0.000 0.942 510 K CB -0.267 32.236 32.500 0.005 0.000 0.724 510 K HN 0.239 nan 8.250 nan 0.000 0.446 511 F N 0.158 120.172 119.950 0.108 0.000 2.727 511 F HA 0.089 4.616 4.527 -0.000 0.000 0.302 511 F C 1.417 177.343 175.800 0.210 0.000 1.097 511 F CA -0.328 57.783 58.000 0.185 0.000 1.330 511 F CB 0.214 39.383 39.000 0.281 0.000 1.084 511 F HN -0.018 nan 8.300 nan 0.000 0.578 512 L N 1.615 122.999 121.223 0.268 0.000 2.051 512 L HA -0.154 4.186 4.340 -0.000 0.000 0.214 512 L C -0.704 176.288 176.870 0.204 0.000 1.076 512 L CA 2.363 57.311 54.840 0.180 0.000 0.758 512 L CB -1.526 40.610 42.059 0.127 0.000 0.890 512 L HN -0.068 nan 8.230 nan 0.000 0.433 513 P HA -0.238 nan 4.420 nan 0.000 0.216 513 P C 1.230 178.841 177.300 0.519 0.000 1.150 513 P CA 1.488 64.849 63.100 0.434 0.000 0.843 513 P CB -0.224 31.745 31.700 0.449 0.000 0.787 514 Y N 0.130 120.626 120.300 0.327 0.000 2.184 514 Y HA -0.121 4.429 4.550 -0.000 0.000 0.290 514 Y C 2.059 178.135 175.900 0.292 0.000 1.129 514 Y CA 1.141 59.442 58.100 0.335 0.000 1.144 514 Y CB -1.078 37.550 38.460 0.281 0.000 0.995 514 Y HN -0.177 nan 8.280 nan 0.000 0.513 515 I N -0.995 119.658 120.570 0.139 0.000 2.163 515 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 515 I C 2.102 178.125 176.117 -0.156 0.000 1.085 515 I CA 1.784 63.056 61.300 -0.046 0.000 1.347 515 I CB -0.627 37.428 38.000 0.090 0.000 1.044 515 I HN 0.208 nan 8.210 nan 0.000 0.408 516 Y N 1.496 121.617 120.300 -0.297 0.000 2.274 516 Y HA -0.220 4.330 4.550 -0.000 0.000 0.290 516 Y C 2.776 178.568 175.900 -0.179 0.000 1.145 516 Y CA 1.268 59.087 58.100 -0.468 0.000 1.203 516 Y CB -0.342 37.791 38.460 -0.545 0.000 0.984 516 Y HN 0.081 nan 8.280 nan 0.000 0.533 517 S N 0.064 115.802 115.700 0.062 0.000 2.383 517 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 517 S C 2.073 176.606 174.600 -0.111 0.000 1.026 517 S CA 1.422 59.647 58.200 0.042 0.000 0.981 517 S CB -0.473 62.915 63.200 0.314 0.000 0.818 517 S HN 0.433 nan 8.310 nan 0.000 0.472 518 L N 0.983 122.133 121.223 -0.121 0.000 2.201 518 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 518 L C 2.703 179.502 176.870 -0.119 0.000 1.105 518 L CA 0.929 55.684 54.840 -0.143 0.000 0.775 518 L CB -0.615 41.302 42.059 -0.237 0.000 0.913 518 L HN 0.316 nan 8.230 nan 0.000 0.440 519 A N 0.154 122.865 122.820 -0.181 0.000 1.930 519 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 519 A C 2.199 179.706 177.584 -0.130 0.000 1.175 519 A CA 1.430 53.426 52.037 -0.068 0.000 0.627 519 A CB -0.550 18.198 19.000 -0.420 0.000 0.815 519 A HN 0.323 nan 8.150 nan 0.000 0.443 520 L N 0.180 121.211 121.223 -0.320 0.000 2.046 520 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 520 L C 2.218 178.980 176.870 -0.180 0.000 1.077 520 L CA 2.684 57.366 54.840 -0.264 0.000 0.747 520 L CB -0.622 41.268 42.059 -0.283 0.000 0.896 520 L HN 0.590 nan 8.230 nan 0.000 0.432 521 E N -0.533 119.561 120.200 -0.176 0.000 2.077 521 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 521 E C 2.061 178.541 176.600 -0.199 0.000 0.989 521 E CA 1.151 57.444 56.400 -0.178 0.000 0.800 521 E CB -0.151 29.476 29.700 -0.121 0.000 0.746 521 E HN 0.644 nan 8.360 nan 0.000 0.452 522 A N 0.968 123.704 122.820 -0.140 0.000 1.877 522 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 522 A C 2.341 179.810 177.584 -0.193 0.000 1.186 522 A CA 2.171 54.103 52.037 -0.175 0.000 0.620 522 A CB -0.812 18.069 19.000 -0.198 0.000 0.822 522 A HN 0.450 nan 8.150 nan 0.000 0.443 523 S N -0.408 115.223 115.700 -0.115 0.000 2.474 523 S HA -0.101 4.368 4.470 -0.000 0.000 0.235 523 S C 1.465 175.992 174.600 -0.123 0.000 0.997 523 S CA 1.328 59.470 58.200 -0.096 0.000 0.949 523 S CB -0.264 62.919 63.200 -0.028 0.000 0.766 523 S HN 0.700 nan 8.310 nan 0.000 0.517 524 E N 0.917 121.023 120.200 -0.157 0.000 2.201 524 E HA 0.149 4.499 4.350 -0.000 0.000 0.193 524 E C 1.559 178.031 176.600 -0.213 0.000 0.957 524 E CA 0.468 56.771 56.400 -0.161 0.000 0.858 524 E CB 0.141 29.748 29.700 -0.155 0.000 0.816 524 E HN 0.521 nan 8.360 nan 0.000 0.475 525 K N -0.771 119.441 120.400 -0.314 0.000 2.440 525 K HA 0.192 4.512 4.320 -0.000 0.000 0.207 525 K C 0.628 177.010 176.600 -0.363 0.000 1.112 525 K CA 0.464 56.500 56.287 -0.419 0.000 1.036 525 K CB 1.792 33.832 32.500 -0.767 0.000 0.935 525 K HN 0.169 nan 8.250 nan 0.000 0.564 526 G N 2.388 111.017 108.800 -0.284 0.000 2.137 526 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.237 526 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.237 526 G C -0.563 174.318 174.900 -0.032 0.000 1.002 526 G CA -0.058 44.938 45.100 -0.173 0.000 0.702 526 G HN 0.511 nan 8.290 nan 0.000 0.515 527 H N 1.370 120.368 119.070 -0.119 0.000 2.580 527 H HA 0.360 4.916 4.556 -0.000 0.000 0.322 527 H C -1.864 173.346 175.328 -0.197 0.000 1.082 527 H CA -1.632 54.356 56.048 -0.100 0.000 1.383 527 H CB 1.408 31.131 29.762 -0.066 0.000 1.450 527 H HN 0.196 nan 8.280 nan 0.000 0.505 528 P HA -0.065 nan 4.420 nan 0.000 0.272 528 P C 0.718 177.888 177.300 -0.217 0.000 1.223 528 P CA -0.135 62.817 63.100 -0.247 0.000 0.784 528 P CB 1.706 33.211 31.700 -0.324 0.000 0.923 529 V N 3.046 122.874 119.914 -0.143 0.000 2.255 529 V HA -0.132 3.988 4.120 -0.000 0.000 0.243 529 V C 1.494 177.550 176.094 -0.062 0.000 1.038 529 V CA 1.571 63.834 62.300 -0.062 0.000 1.008 529 V CB -0.865 31.007 31.823 0.082 0.000 0.645 529 V HN 0.512 nan 8.190 nan 0.000 0.449 530 I N -0.422 120.127 120.570 -0.036 0.000 2.428 530 I HA 0.659 4.829 4.170 -0.000 0.000 0.296 530 I C -0.304 175.734 176.117 -0.133 0.000 0.985 530 I CA -0.584 60.731 61.300 0.025 0.000 1.260 530 I CB 1.160 39.196 38.000 0.061 0.000 1.389 530 I HN 0.082 nan 8.210 nan 0.000 0.484 531 R N 4.569 125.010 120.500 -0.098 0.000 2.698 531 R HA 0.562 4.902 4.340 -0.000 0.000 0.275 531 R C -2.844 173.353 176.300 -0.173 0.000 1.001 531 R CA -1.811 54.129 56.100 -0.266 0.000 0.896 531 R CB 1.885 31.888 30.300 -0.494 0.000 1.218 531 R HN 0.466 nan 8.270 nan 0.000 0.462 532 P HA 0.088 nan 4.420 nan 0.000 0.274 532 P C 0.556 177.610 177.300 -0.410 0.000 1.237 532 P CA -0.361 62.462 63.100 -0.462 0.000 0.793 532 P CB 0.890 31.995 31.700 -0.993 0.000 0.977 533 L N 1.016 122.099 121.223 -0.234 0.000 2.079 533 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 533 L C 2.444 179.341 176.870 0.046 0.000 1.081 533 L CA 1.812 56.653 54.840 0.002 0.000 0.752 533 L CB -1.135 40.936 42.059 0.019 0.000 0.896 533 L HN 0.376 nan 8.230 nan 0.000 0.433 534 F N -1.720 118.169 119.950 -0.100 0.000 2.494 534 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 534 F C 2.315 178.044 175.800 -0.119 0.000 1.106 534 F CA 0.376 58.184 58.000 -0.321 0.000 1.452 534 F CB -1.409 36.886 39.000 -1.176 0.000 1.085 534 F HN -0.042 nan 8.300 nan 0.000 0.569 535 Y N 1.530 121.688 120.300 -0.237 0.000 2.200 535 Y HA -0.055 4.495 4.550 -0.000 0.000 0.290 535 Y C 2.095 177.913 175.900 -0.137 0.000 1.137 535 Y CA 1.879 59.911 58.100 -0.114 0.000 1.163 535 Y CB -0.183 38.141 38.460 -0.228 0.000 0.988 535 Y HN 0.017 nan 8.280 nan 0.000 0.518 536 E N -0.750 119.440 120.200 -0.016 0.000 2.318 536 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 536 E C -0.352 175.758 176.600 -0.817 0.000 0.998 536 E CA 0.486 56.628 56.400 -0.430 0.000 0.859 536 E CB 0.111 29.481 29.700 -0.550 0.000 0.812 536 E HN 0.453 nan 8.360 nan 0.000 0.492 537 F N 1.257 121.244 119.950 0.061 0.000 2.577 537 F HA 0.183 4.710 4.527 -0.000 0.000 0.342 537 F C 1.462 177.314 175.800 0.086 0.000 1.479 537 F CA -0.514 57.531 58.000 0.075 0.000 1.110 537 F CB 0.303 39.360 39.000 0.095 0.000 1.306 537 F HN -0.139 nan 8.300 nan 0.000 0.554 538 Q N 0.021 119.918 119.800 0.161 0.000 2.364 538 Q HA -0.168 4.172 4.340 -0.000 0.000 0.209 538 Q C 0.893 177.092 176.000 0.332 0.000 0.977 538 Q CA 1.869 57.820 55.803 0.247 0.000 0.885 538 Q CB -0.261 28.583 28.738 0.175 0.000 0.941 538 Q HN 0.557 nan 8.270 nan 0.000 0.464 539 D N 0.231 120.780 120.400 0.249 0.000 2.349 539 D HA -0.069 4.571 4.640 -0.000 0.000 0.215 539 D C -0.367 176.079 176.300 0.243 0.000 1.016 539 D CA 0.103 54.236 54.000 0.221 0.000 0.870 539 D CB -0.005 40.888 40.800 0.155 0.000 0.917 539 D HN 0.188 nan 8.370 nan 0.000 0.524 540 D N 0.860 121.433 120.400 0.290 0.000 2.427 540 D HA 0.081 4.721 4.640 -0.000 0.000 0.226 540 D C 0.554 177.044 176.300 0.316 0.000 1.076 540 D CA -0.538 53.611 54.000 0.247 0.000 0.849 540 D CB 1.247 42.165 40.800 0.196 0.000 1.052 540 D HN -0.296 nan 8.370 nan 0.000 0.515 541 D N 2.741 123.316 120.400 0.291 0.000 2.190 541 D HA -0.182 4.458 4.640 -0.000 0.000 0.200 541 D C 0.923 177.395 176.300 0.286 0.000 0.992 541 D CA 1.013 55.203 54.000 0.317 0.000 0.854 541 D CB 0.191 41.144 40.800 0.255 0.000 0.936 541 D HN 0.539 nan 8.370 nan 0.000 0.462 542 D N -0.051 120.465 120.400 0.194 0.000 2.158 542 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 542 D C 2.039 178.420 176.300 0.135 0.000 0.995 542 D CA 0.703 54.785 54.000 0.136 0.000 0.846 542 D CB -0.157 40.690 40.800 0.078 0.000 0.941 542 D HN 0.135 nan 8.370 nan 0.000 0.456 543 M N -0.523 119.157 119.600 0.134 0.000 2.267 543 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 543 M C 1.288 177.625 176.300 0.062 0.000 1.063 543 M CA 1.095 56.431 55.300 0.061 0.000 1.090 543 M CB -1.000 31.622 32.600 0.036 0.000 1.392 543 M HN 0.207 nan 8.290 nan 0.000 0.422 544 Y N -0.324 120.010 120.300 0.055 0.000 2.578 544 Y HA 0.017 4.567 4.550 -0.000 0.000 0.297 544 Y C 1.880 177.828 175.900 0.080 0.000 1.176 544 Y CA 0.442 58.544 58.100 0.003 0.000 1.315 544 Y CB -0.191 38.001 38.460 -0.446 0.000 1.031 544 Y HN 0.111 nan 8.280 nan 0.000 0.524 545 R N -0.570 120.051 120.500 0.202 0.000 2.437 545 R HA 0.211 4.551 4.340 -0.000 0.000 0.257 545 R C -0.488 175.887 176.300 0.125 0.000 0.927 545 R CA -0.086 56.109 56.100 0.159 0.000 1.078 545 R CB 0.234 30.613 30.300 0.131 0.000 1.161 545 R HN 0.141 nan 8.270 nan 0.000 0.529 546 I N 1.842 122.479 120.570 0.111 0.000 2.322 546 I HA 0.080 4.250 4.170 -0.000 0.000 0.292 546 I C 0.989 177.158 176.117 0.087 0.000 1.060 546 I CA 0.326 61.666 61.300 0.068 0.000 1.309 546 I CB 0.933 38.943 38.000 0.016 0.000 1.415 546 I HN 0.040 nan 8.210 nan 0.000 0.492 547 E N 2.929 123.183 120.200 0.089 0.000 2.641 547 E HA 0.035 4.385 4.350 -0.000 0.000 0.224 547 E C -0.187 176.474 176.600 0.102 0.000 0.951 547 E CA 0.204 56.666 56.400 0.104 0.000 1.102 547 E CB 0.595 30.370 29.700 0.125 0.000 1.091 547 E HN 0.666 nan 8.360 nan 0.000 0.507 548 D N 0.920 121.369 120.400 0.081 0.000 2.427 548 D HA 0.137 4.777 4.640 -0.000 0.000 0.224 548 D C -0.015 176.325 176.300 0.067 0.000 1.157 548 D CA -0.024 54.026 54.000 0.082 0.000 0.828 548 D CB 0.088 40.921 40.800 0.054 0.000 0.974 548 D HN -0.012 nan 8.370 nan 0.000 0.498 549 E N -0.272 119.981 120.200 0.089 0.000 2.383 549 E HA 0.504 4.854 4.350 -0.000 0.000 0.275 549 E C -1.363 175.350 176.600 0.188 0.000 0.918 549 E CA -1.230 55.198 56.400 0.047 0.000 0.764 549 E CB 2.220 31.887 29.700 -0.056 0.000 1.252 549 E HN 0.231 nan 8.360 nan 0.000 0.449 550 Y N -1.111 119.208 120.300 0.032 0.000 2.581 550 Y HA 0.552 5.102 4.550 -0.000 0.000 0.337 550 Y C -1.358 174.589 175.900 0.078 0.000 1.108 550 Y CA -1.452 56.677 58.100 0.048 0.000 1.033 550 Y CB 0.936 39.460 38.460 0.107 0.000 1.318 550 Y HN 0.249 nan 8.280 nan 0.000 0.459 551 M N 3.116 122.830 119.600 0.190 0.000 2.277 551 M HA 0.460 4.940 4.480 -0.000 0.000 0.350 551 M C -1.029 175.353 176.300 0.137 0.000 1.180 551 M CA -0.911 54.459 55.300 0.116 0.000 1.103 551 M CB 1.658 34.331 32.600 0.122 0.000 1.577 551 M HN 0.616 nan 8.290 nan 0.000 0.459 552 V N 2.826 122.762 119.914 0.038 0.000 2.293 552 V HA 0.633 4.753 4.120 -0.000 0.000 0.275 552 V C 0.793 176.906 176.094 0.032 0.000 1.021 552 V CA 0.146 62.457 62.300 0.018 0.000 0.815 552 V CB 0.282 31.978 31.823 -0.213 0.000 1.025 552 V HN 1.156 nan 8.190 nan 0.000 0.448 553 G N 4.769 113.535 108.800 -0.057 0.000 2.562 553 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.250 553 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.250 553 G C 0.620 175.477 174.900 -0.071 0.000 1.269 553 G CA 0.575 45.614 45.100 -0.102 0.000 0.919 553 G HN 0.726 nan 8.290 nan 0.000 0.574 554 K N -0.879 119.405 120.400 -0.195 0.000 2.352 554 K HA 0.275 4.595 4.320 -0.000 0.000 0.194 554 K C 1.814 178.424 176.600 0.017 0.000 1.038 554 K CA 1.042 57.223 56.287 -0.176 0.000 1.023 554 K CB -0.004 32.292 32.500 -0.339 0.000 0.840 554 K HN 0.514 nan 8.250 nan 0.000 0.519 555 Y N -0.090 120.305 120.300 0.159 0.000 2.507 555 Y HA 0.257 4.807 4.550 -0.000 0.000 0.263 555 Y C 0.487 176.468 175.900 0.134 0.000 1.093 555 Y CA -0.450 57.701 58.100 0.084 0.000 1.285 555 Y CB 0.300 38.727 38.460 -0.055 0.000 1.115 555 Y HN -0.102 nan 8.280 nan 0.000 0.533 556 L N 1.290 122.671 121.223 0.264 0.000 2.313 556 L HA 0.516 4.856 4.340 -0.000 0.000 0.283 556 L C -1.201 175.741 176.870 0.120 0.000 1.013 556 L CA -0.869 54.048 54.840 0.129 0.000 0.816 556 L CB 1.685 43.651 42.059 -0.156 0.000 1.236 556 L HN 0.041 nan 8.230 nan 0.000 0.419 557 L N 5.190 126.540 121.223 0.212 0.000 2.296 557 L HA 0.440 4.780 4.340 -0.000 0.000 0.286 557 L C -1.632 175.293 176.870 0.091 0.000 1.023 557 L CA -0.552 54.340 54.840 0.088 0.000 0.812 557 L CB 1.210 43.205 42.059 -0.106 0.000 1.223 557 L HN 0.614 nan 8.230 nan 0.000 0.421 558 Y N 4.791 124.948 120.300 -0.237 0.000 2.350 558 Y HA 0.648 5.197 4.550 -0.000 0.000 0.338 558 Y C -0.570 175.231 175.900 -0.166 0.000 0.961 558 Y CA -1.411 56.555 58.100 -0.225 0.000 1.100 558 Y CB 1.879 40.081 38.460 -0.430 0.000 1.179 558 Y HN 0.560 nan 8.280 nan 0.000 0.454 559 A N 9.463 132.120 122.820 -0.273 0.000 2.786 559 A HA 0.485 4.805 4.320 -0.000 0.000 0.346 559 A C -2.827 174.493 177.584 -0.440 0.000 1.265 559 A CA -1.715 50.153 52.037 -0.282 0.000 0.858 559 A CB -0.423 18.538 19.000 -0.065 0.000 1.118 559 A HN 0.521 nan 8.150 nan 0.000 0.482 560 P HA 0.086 nan 4.420 nan 0.000 0.269 560 P C -0.284 176.943 177.300 -0.121 0.000 1.209 560 P CA 0.302 63.102 63.100 -0.500 0.000 0.776 560 P CB 0.855 32.333 31.700 -0.370 0.000 0.876 561 I N 3.101 123.670 120.570 -0.002 0.000 2.363 561 I HA 0.001 4.171 4.170 -0.000 0.000 0.292 561 I C 1.305 177.491 176.117 0.116 0.000 1.075 561 I CA -0.265 61.075 61.300 0.065 0.000 1.333 561 I CB 0.780 38.839 38.000 0.098 0.000 1.415 561 I HN 0.169 nan 8.210 nan 0.000 0.502 562 V N 2.817 122.801 119.914 0.117 0.000 3.039 562 V HA 0.366 4.486 4.120 -0.000 0.000 0.369 562 V C 0.342 176.604 176.094 0.280 0.000 1.344 562 V CA -0.118 62.291 62.300 0.181 0.000 1.270 562 V CB -0.948 30.941 31.823 0.111 0.000 1.284 562 V HN 0.708 nan 8.190 nan 0.000 0.518 563 S N -0.633 115.206 115.700 0.232 0.000 2.705 563 S HA 0.605 5.075 4.470 -0.000 0.000 0.280 563 S C 0.110 174.554 174.600 -0.261 0.000 1.174 563 S CA -0.666 57.508 58.200 -0.043 0.000 0.823 563 S CB 1.893 65.047 63.200 -0.078 0.000 1.162 563 S HN 0.085 nan 8.310 nan 0.000 0.487 564 K N 0.757 120.786 120.400 -0.618 0.000 2.366 564 K HA 0.219 4.539 4.320 -0.000 0.000 0.198 564 K C 0.406 176.911 176.600 -0.158 0.000 1.044 564 K CA 0.463 56.466 56.287 -0.474 0.000 0.973 564 K CB -0.245 31.926 32.500 -0.549 0.000 0.767 564 K HN 0.572 nan 8.250 nan 0.000 0.475 565 E N 0.706 120.834 120.200 -0.121 0.000 2.468 565 E HA -0.140 4.210 4.350 -0.000 0.000 0.263 565 E C 0.658 177.252 176.600 -0.009 0.000 1.192 565 E CA 0.291 56.659 56.400 -0.053 0.000 1.016 565 E CB 0.377 30.054 29.700 -0.038 0.000 0.980 565 E HN 0.204 nan 8.360 nan 0.000 0.467 566 E N -0.061 120.136 120.200 -0.004 0.000 2.415 566 E HA -0.021 4.329 4.350 -0.000 0.000 0.197 566 E C -0.210 176.394 176.600 0.006 0.000 1.007 566 E CA 0.146 56.549 56.400 0.004 0.000 0.890 566 E CB 0.487 30.184 29.700 -0.006 0.000 0.891 566 E HN 0.409 nan 8.360 nan 0.000 0.496 567 S N -0.571 115.135 115.700 0.009 0.000 2.651 567 S HA 0.670 5.140 4.470 -0.000 0.000 0.279 567 S C -0.696 173.917 174.600 0.022 0.000 1.148 567 S CA -1.125 57.088 58.200 0.022 0.000 0.837 567 S CB 2.098 65.311 63.200 0.020 0.000 1.138 567 S HN 0.252 nan 8.310 nan 0.000 0.478 568 R N -0.011 120.509 120.500 0.033 0.000 2.781 568 R HA 0.701 5.041 4.340 -0.000 0.000 0.269 568 R C -1.539 174.773 176.300 0.021 0.000 1.025 568 R CA -1.199 54.915 56.100 0.022 0.000 0.914 568 R CB 0.681 30.994 30.300 0.023 0.000 1.236 568 R HN 0.559 nan 8.270 nan 0.000 0.465 569 L N 1.570 122.796 121.223 0.004 0.000 2.305 569 L HA 0.455 4.795 4.340 -0.000 0.000 0.281 569 L C -0.627 176.224 176.870 -0.032 0.000 1.085 569 L CA -1.021 53.813 54.840 -0.010 0.000 0.813 569 L CB 1.684 43.735 42.059 -0.014 0.000 1.157 569 L HN 0.339 nan 8.230 nan 0.000 0.436 570 V N 2.182 122.058 119.914 -0.064 0.000 2.448 570 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 570 V C 0.127 176.095 176.094 -0.210 0.000 1.025 570 V CA -0.527 61.689 62.300 -0.140 0.000 0.859 570 V CB 1.898 33.612 31.823 -0.182 0.000 0.988 570 V HN 0.722 nan 8.190 nan 0.000 0.431 571 T N 6.975 121.399 114.554 -0.218 0.000 2.743 571 T HA 0.570 4.920 4.350 -0.000 0.000 0.293 571 T C -0.217 174.251 174.700 -0.387 0.000 0.945 571 T CA -0.107 61.854 62.100 -0.232 0.000 1.030 571 T CB 0.313 69.088 68.868 -0.155 0.000 0.912 571 T HN 0.336 nan 8.240 nan 0.000 0.483 572 L N 6.238 127.200 121.223 -0.436 0.000 2.295 572 L HA 0.444 4.784 4.340 -0.000 0.000 0.285 572 L C -2.177 174.407 176.870 -0.478 0.000 1.035 572 L CA -2.384 52.044 54.840 -0.687 0.000 0.806 572 L CB 1.541 43.176 42.059 -0.707 0.000 1.214 572 L HN 0.335 nan 8.230 nan 0.000 0.426 573 P HA 0.127 nan 4.420 nan 0.000 0.277 573 P C -0.660 176.572 177.300 -0.114 0.000 1.276 573 P CA -0.740 62.049 63.100 -0.519 0.000 0.788 573 P CB 0.460 31.336 31.700 -1.375 0.000 1.114 574 R N 0.274 120.697 120.500 -0.127 0.000 2.698 574 R HA 0.370 4.710 4.340 -0.000 0.000 0.266 574 R C 0.365 176.782 176.300 0.196 0.000 1.026 574 R CA 1.438 57.589 56.100 0.085 0.000 1.102 574 R CB -0.865 29.509 30.300 0.123 0.000 0.978 574 R HN 0.796 nan 8.270 nan 0.000 0.436 575 G N 1.969 110.855 108.800 0.143 0.000 2.525 575 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.685 575 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.685 575 G C -1.420 173.455 174.900 -0.042 0.000 1.290 575 G CA -0.757 44.352 45.100 0.015 0.000 0.915 575 G HN 0.565 nan 8.290 nan 0.000 0.548 576 K N -0.741 119.534 120.400 -0.208 0.000 2.110 576 K HA 0.594 4.914 4.320 -0.000 0.000 0.263 576 K C -1.066 175.345 176.600 -0.315 0.000 0.975 576 K CA -0.344 55.894 56.287 -0.082 0.000 0.895 576 K CB 1.397 33.919 32.500 0.037 0.000 1.060 576 K HN 0.452 nan 8.250 nan 0.000 0.448 577 W N 1.764 123.208 121.300 0.240 0.000 2.883 577 W HA 0.247 4.907 4.660 -0.000 0.000 0.335 577 W C -0.907 175.853 176.519 0.402 0.000 1.083 577 W CA -0.722 56.817 57.345 0.323 0.000 1.233 577 W CB 0.847 30.422 29.460 0.191 0.000 1.412 577 W HN 0.430 nan 8.180 nan 0.000 0.490 578 Y N 4.057 124.651 120.300 0.489 0.000 2.335 578 Y HA 0.334 4.884 4.550 -0.000 0.000 0.339 578 Y C 0.160 176.199 175.900 0.232 0.000 0.987 578 Y CA -0.961 57.256 58.100 0.196 0.000 1.140 578 Y CB 0.685 39.048 38.460 -0.161 0.000 1.173 578 Y HN 0.393 nan 8.280 nan 0.000 0.486 579 N N 5.935 124.452 118.700 -0.305 0.000 2.399 579 N HA -0.105 4.635 4.740 -0.000 0.000 0.259 579 N C 0.755 175.819 175.510 -0.744 0.000 1.160 579 N CA 0.353 53.149 53.050 -0.423 0.000 0.946 579 N CB 0.046 38.409 38.487 -0.208 0.000 1.156 579 N HN 0.963 nan 8.380 nan 0.000 0.489 580 Y N 4.736 124.626 120.300 -0.682 0.000 2.102 580 Y HA -0.247 4.302 4.550 -0.000 0.000 0.280 580 Y C 1.016 176.545 175.900 -0.620 0.000 1.178 580 Y CA 2.062 59.778 58.100 -0.640 0.000 1.146 580 Y CB -0.225 37.843 38.460 -0.654 0.000 0.968 580 Y HN 0.644 nan 8.280 nan 0.000 0.504 581 W N 0.022 121.123 121.300 -0.332 0.000 2.453 581 W HA -0.057 4.602 4.660 -0.000 0.000 0.289 581 W C 1.835 178.201 176.519 -0.255 0.000 1.215 581 W CA 0.999 58.155 57.345 -0.314 0.000 1.297 581 W CB -0.351 28.999 29.460 -0.183 0.000 1.113 581 W HN 0.326 nan 8.180 nan 0.000 0.551 582 N N -1.119 117.550 118.700 -0.052 0.000 2.171 582 N HA 0.212 4.952 4.740 -0.000 0.000 0.212 582 N C 1.299 176.714 175.510 -0.160 0.000 1.184 582 N CA 0.579 53.590 53.050 -0.066 0.000 0.888 582 N CB 0.329 38.816 38.487 -0.001 0.000 1.038 582 N HN 0.066 nan 8.380 nan 0.000 0.517 583 G N 0.208 108.791 108.800 -0.360 0.000 2.184 583 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.264 583 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.264 583 G C -0.192 174.589 174.900 -0.200 0.000 0.975 583 G CA 0.447 45.327 45.100 -0.366 0.000 0.642 583 G HN 0.727 nan 8.290 nan 0.000 0.536 584 E N 0.366 120.481 120.200 -0.141 0.000 2.384 584 E HA 0.424 4.774 4.350 -0.000 0.000 0.266 584 E C 0.237 176.869 176.600 0.054 0.000 1.012 584 E CA -0.462 55.932 56.400 -0.010 0.000 0.901 584 E CB 0.195 29.913 29.700 0.029 0.000 0.967 584 E HN 0.378 nan 8.360 nan 0.000 0.435 585 I N 5.818 126.461 120.570 0.122 0.000 2.339 585 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 585 I C -0.289 175.944 176.117 0.193 0.000 0.994 585 I CA -0.796 60.624 61.300 0.200 0.000 1.191 585 I CB 1.023 39.142 38.000 0.200 0.000 1.343 585 I HN 0.458 nan 8.210 nan 0.000 0.458 586 I N 5.579 126.299 120.570 0.250 0.000 2.493 586 I HA 0.316 4.486 4.170 -0.000 0.000 0.298 586 I C 0.035 176.294 176.117 0.238 0.000 0.998 586 I CA -0.769 60.656 61.300 0.208 0.000 1.137 586 I CB 1.587 39.696 38.000 0.182 0.000 1.310 586 I HN 0.498 nan 8.210 nan 0.000 0.445 587 N N 3.162 121.963 118.700 0.169 0.000 2.488 587 N HA 0.220 4.960 4.740 -0.000 0.000 0.274 587 N C 0.357 175.975 175.510 0.179 0.000 1.111 587 N CA 0.019 53.166 53.050 0.161 0.000 0.974 587 N CB 1.749 40.299 38.487 0.105 0.000 1.089 587 N HN 0.838 nan 8.380 nan 0.000 0.465 588 G N 0.837 109.781 108.800 0.240 0.000 2.732 588 G HA2 0.048 4.008 3.960 -0.000 0.000 0.244 588 G HA3 0.048 4.008 3.960 -0.000 0.000 0.244 588 G C 0.245 175.198 174.900 0.088 0.000 1.226 588 G CA 0.200 45.441 45.100 0.235 0.000 0.860 588 G HN 0.641 nan 8.290 nan 0.000 0.583 589 K N -1.444 118.965 120.400 0.016 0.000 3.549 589 K HA -0.151 4.168 4.320 -0.000 0.000 0.275 589 K C 0.011 176.602 176.600 -0.015 0.000 1.060 589 K CA 1.018 57.297 56.287 -0.014 0.000 0.812 589 K CB -1.644 30.868 32.500 0.020 0.000 1.374 589 K HN 1.635 nan 8.250 nan 0.000 0.455 590 S N -1.951 113.718 115.700 -0.052 0.000 2.636 590 S HA 0.772 5.242 4.470 -0.000 0.000 0.268 590 S C -0.800 173.749 174.600 -0.086 0.000 1.159 590 S CA -0.587 57.586 58.200 -0.044 0.000 0.815 590 S CB 2.208 65.399 63.200 -0.015 0.000 1.130 590 S HN 0.269 nan 8.310 nan 0.000 0.471 591 V N 1.594 121.471 119.914 -0.062 0.000 2.487 591 V HA 0.810 4.930 4.120 -0.000 0.000 0.298 591 V C -0.138 175.924 176.094 -0.054 0.000 1.028 591 V CA -0.265 61.990 62.300 -0.074 0.000 0.860 591 V CB 1.143 32.938 31.823 -0.047 0.000 0.991 591 V HN 1.254 nan 8.190 nan 0.000 0.427 592 V N 1.942 121.814 119.914 -0.070 0.000 3.074 592 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 592 V C -0.545 175.550 176.094 0.002 0.000 1.117 592 V CA -1.165 61.121 62.300 -0.023 0.000 1.014 592 V CB 2.055 33.872 31.823 -0.010 0.000 1.057 592 V HN 0.783 nan 8.190 nan 0.000 0.438 593 K N 1.730 122.152 120.400 0.037 0.000 2.172 593 K HA 0.542 4.861 4.320 -0.000 0.000 0.276 593 K C 0.434 177.094 176.600 0.101 0.000 1.013 593 K CA -0.071 56.246 56.287 0.050 0.000 0.913 593 K CB 1.342 33.865 32.500 0.039 0.000 1.055 593 K HN 1.141 nan 8.250 nan 0.000 0.461 594 S N 1.589 117.357 115.700 0.113 0.000 2.576 594 S HA -0.004 4.466 4.470 -0.000 0.000 0.272 594 S C 0.937 175.609 174.600 0.121 0.000 1.352 594 S CA 0.126 58.426 58.200 0.166 0.000 1.021 594 S CB 1.102 64.389 63.200 0.146 0.000 0.887 594 S HN 0.805 nan 8.310 nan 0.000 0.542 595 T N -3.209 111.424 114.554 0.132 0.000 2.975 595 T HA 0.270 4.620 4.350 -0.000 0.000 0.261 595 T C 0.091 174.827 174.700 0.061 0.000 0.984 595 T CA 0.028 62.181 62.100 0.088 0.000 0.911 595 T CB -0.446 68.481 68.868 0.099 0.000 1.127 595 T HN 0.875 nan 8.240 nan 0.000 0.514 596 H N -0.182 118.851 119.070 -0.061 0.000 2.907 596 H HA 0.539 5.095 4.556 -0.000 0.000 0.361 596 H C 0.661 175.897 175.328 -0.153 0.000 1.194 596 H CA -0.605 55.297 56.048 -0.243 0.000 1.152 596 H CB 1.899 31.287 29.762 -0.623 0.000 1.867 596 H HN -0.071 nan 8.280 nan 0.000 0.561 597 E N 0.959 120.942 120.200 -0.361 0.000 2.208 597 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 597 E C -0.143 176.576 176.600 0.199 0.000 0.988 597 E CA 0.692 57.048 56.400 -0.075 0.000 0.828 597 E CB 0.310 29.902 29.700 -0.179 0.000 0.763 597 E HN 0.331 nan 8.360 nan 0.000 0.478 598 L N 1.894 123.395 121.223 0.463 0.000 2.408 598 L HA 0.321 4.661 4.340 -0.000 0.000 0.257 598 L C -2.522 174.710 176.870 0.604 0.000 1.053 598 L CA -2.111 53.053 54.840 0.541 0.000 0.922 598 L CB 1.140 43.513 42.059 0.524 0.000 1.261 598 L HN -0.310 nan 8.230 nan 0.000 0.458 599 P HA 0.142 nan 4.420 nan 0.000 0.263 599 P C -0.510 177.011 177.300 0.368 0.000 1.345 599 P CA 0.654 63.967 63.100 0.354 0.000 1.119 599 P CB 0.053 31.940 31.700 0.313 0.000 1.363 600 I N 4.219 124.863 120.570 0.124 0.000 2.433 600 I HA 0.387 4.557 4.170 -0.000 0.000 0.292 600 I C -0.384 175.560 176.117 -0.288 0.000 1.001 600 I CA -0.869 60.435 61.300 0.008 0.000 1.119 600 I CB 1.406 39.297 38.000 -0.181 0.000 1.289 600 I HN 0.189 nan 8.210 nan 0.000 0.438 601 Y N 5.617 125.991 120.300 0.124 0.000 2.442 601 Y HA 0.564 5.113 4.550 -0.000 0.000 0.344 601 Y C -0.494 175.640 175.900 0.390 0.000 0.976 601 Y CA -0.799 57.451 58.100 0.249 0.000 1.040 601 Y CB 1.732 40.340 38.460 0.246 0.000 1.228 601 Y HN 0.254 nan 8.280 nan 0.000 0.451 602 L N 3.604 125.184 121.223 0.594 0.000 2.295 602 L HA 0.564 4.904 4.340 -0.000 0.000 0.285 602 L C 0.219 177.384 176.870 0.492 0.000 1.035 602 L CA -0.878 54.263 54.840 0.502 0.000 0.806 602 L CB 1.594 43.919 42.059 0.444 0.000 1.214 602 L HN 0.597 nan 8.230 nan 0.000 0.426 603 R N 2.304 122.900 120.500 0.160 0.000 2.490 603 R HA 0.079 4.419 4.340 -0.000 0.000 0.280 603 R C 0.051 176.078 176.300 -0.455 0.000 1.077 603 R CA -0.430 55.393 56.100 -0.462 0.000 1.065 603 R CB 0.775 30.813 30.300 -0.436 0.000 1.003 603 R HN 0.608 nan 8.270 nan 0.000 0.470 604 E N 2.358 122.121 120.200 -0.729 0.000 2.406 604 E HA 0.083 4.433 4.350 -0.000 0.000 0.258 604 E C -0.396 175.763 176.600 -0.735 0.000 1.043 604 E CA 0.805 56.483 56.400 -1.204 0.000 0.929 604 E CB 0.206 29.417 29.700 -0.814 0.000 0.969 604 E HN 0.865 nan 8.360 nan 0.000 0.462 605 G N 3.226 111.584 108.800 -0.737 0.000 2.797 605 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.192 605 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.192 605 G C -0.567 173.982 174.900 -0.585 0.000 1.101 605 G CA -0.154 44.668 45.100 -0.463 0.000 0.930 605 G HN 0.460 nan 8.290 nan 0.000 0.512 606 S N -0.532 114.762 115.700 -0.676 0.000 2.548 606 S HA 0.840 5.310 4.470 -0.000 0.000 0.286 606 S C -0.229 173.909 174.600 -0.771 0.000 1.098 606 S CA -0.682 56.878 58.200 -1.065 0.000 0.930 606 S CB 2.105 64.983 63.200 -0.536 0.000 1.070 606 S HN 0.547 nan 8.310 nan 0.000 0.480 607 I N 2.790 122.800 120.570 -0.935 0.000 2.500 607 I HA 0.453 4.623 4.170 -0.000 0.000 0.286 607 I C -1.351 174.418 176.117 -0.580 0.000 1.063 607 I CA -0.311 60.685 61.300 -0.506 0.000 1.062 607 I CB 1.379 39.203 38.000 -0.294 0.000 1.223 607 I HN 0.458 nan 8.210 nan 0.000 0.435 608 I N 8.351 128.666 120.570 -0.425 0.000 2.439 608 I HA 0.361 4.531 4.170 -0.000 0.000 0.285 608 I C -2.434 173.561 176.117 -0.203 0.000 1.021 608 I CA -1.854 59.165 61.300 -0.467 0.000 1.091 608 I CB 2.349 40.067 38.000 -0.471 0.000 1.242 608 I HN 0.220 nan 8.210 nan 0.000 0.439 609 P HA 0.375 nan 4.420 nan 0.000 0.286 609 P C -1.041 176.300 177.300 0.068 0.000 1.269 609 P CA -0.198 62.965 63.100 0.104 0.000 0.787 609 P CB 1.543 33.420 31.700 0.295 0.000 0.920 610 L N 0.976 122.197 121.223 -0.003 0.000 2.286 610 L HA 0.465 4.804 4.340 -0.000 0.000 0.265 610 L C 0.975 177.861 176.870 0.027 0.000 1.012 610 L CA -1.266 53.521 54.840 -0.088 0.000 0.818 610 L CB 1.307 43.216 42.059 -0.250 0.000 1.337 610 L HN 0.373 nan 8.230 nan 0.000 0.438 611 E N 0.463 120.676 120.200 0.021 0.000 2.481 611 E HA 0.117 4.467 4.350 -0.000 0.000 0.263 611 E C 0.656 177.298 176.600 0.070 0.000 0.992 611 E CA 0.890 57.338 56.400 0.080 0.000 0.938 611 E CB 0.394 30.143 29.700 0.083 0.000 0.933 611 E HN 0.774 nan 8.360 nan 0.000 0.453 612 G N 4.357 113.215 108.800 0.097 0.000 2.225 612 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.264 612 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.264 612 G C 0.166 175.144 174.900 0.131 0.000 1.060 612 G CA 0.199 45.358 45.100 0.098 0.000 0.833 612 G HN 0.875 nan 8.290 nan 0.000 0.498 613 D N -1.086 119.402 120.400 0.147 0.000 3.059 613 D HA -0.152 4.488 4.640 -0.000 0.000 0.220 613 D C 0.703 177.060 176.300 0.094 0.000 1.169 613 D CA 1.854 55.949 54.000 0.159 0.000 0.902 613 D CB -0.659 40.306 40.800 0.276 0.000 1.116 613 D HN 0.854 nan 8.370 nan 0.000 0.417 614 E N -0.499 119.737 120.200 0.060 0.000 2.392 614 E HA 0.418 4.767 4.350 -0.000 0.000 0.256 614 E C -0.108 176.499 176.600 0.012 0.000 1.145 614 E CA -0.205 56.203 56.400 0.015 0.000 0.929 614 E CB 0.916 30.604 29.700 -0.020 0.000 0.998 614 E HN 0.048 nan 8.360 nan 0.000 0.442 615 L N 2.587 123.806 121.223 -0.007 0.000 2.526 615 L HA 0.419 4.759 4.340 -0.000 0.000 0.263 615 L C -1.615 175.228 176.870 -0.044 0.000 0.943 615 L CA -0.072 54.763 54.840 -0.009 0.000 0.859 615 L CB 1.610 43.698 42.059 0.048 0.000 1.313 615 L HN 0.418 nan 8.230 nan 0.000 0.406 616 I N 5.082 125.603 120.570 -0.083 0.000 2.406 616 I HA 0.633 4.803 4.170 -0.000 0.000 0.290 616 I C -0.906 175.133 176.117 -0.130 0.000 0.999 616 I CA -0.948 60.294 61.300 -0.096 0.000 1.124 616 I CB 1.937 39.890 38.000 -0.078 0.000 1.289 616 I HN 0.217 nan 8.210 nan 0.000 0.441 617 V N 6.500 126.343 119.914 -0.119 0.000 2.588 617 V HA 0.390 4.510 4.120 -0.000 0.000 0.304 617 V C -1.369 174.677 176.094 -0.081 0.000 1.042 617 V CA -0.746 61.478 62.300 -0.126 0.000 0.877 617 V CB 2.141 33.904 31.823 -0.100 0.000 0.996 617 V HN 0.530 nan 8.190 nan 0.000 0.425 618 Y N 3.888 124.022 120.300 -0.278 0.000 2.344 618 Y HA 0.681 5.231 4.550 -0.000 0.000 0.328 618 Y C 0.197 175.952 175.900 -0.241 0.000 1.067 618 Y CA -0.124 57.810 58.100 -0.276 0.000 1.247 618 Y CB 1.189 39.453 38.460 -0.327 0.000 1.113 618 Y HN 1.124 nan 8.280 nan 0.000 0.465 619 G N 4.751 113.510 108.800 -0.068 0.000 2.632 619 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.224 619 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.224 619 G C -1.099 173.685 174.900 -0.193 0.000 1.341 619 G CA -0.345 44.615 45.100 -0.234 0.000 0.880 619 G HN 0.654 nan 8.290 nan 0.000 0.566 620 E N -0.145 119.939 120.200 -0.194 0.000 2.158 620 E HA 0.664 5.014 4.350 -0.000 0.000 0.271 620 E C 0.019 176.533 176.600 -0.144 0.000 0.911 620 E CA -0.012 56.302 56.400 -0.144 0.000 0.767 620 E CB 2.082 31.721 29.700 -0.101 0.000 1.120 620 E HN 0.734 nan 8.360 nan 0.000 0.405 621 T N 0.788 115.271 114.554 -0.118 0.000 2.663 621 T HA 0.322 4.672 4.350 -0.000 0.000 0.305 621 T C -1.763 172.934 174.700 -0.006 0.000 1.660 621 T CA -0.582 61.484 62.100 -0.057 0.000 0.976 621 T CB 1.624 70.425 68.868 -0.111 0.000 1.705 621 T HN 0.269 nan 8.240 nan 0.000 0.494 622 S N 0.824 116.581 115.700 0.095 0.000 2.521 622 S HA 0.843 5.313 4.470 -0.000 0.000 0.295 622 S C -1.861 172.905 174.600 0.278 0.000 1.098 622 S CA -0.561 57.705 58.200 0.110 0.000 0.999 622 S CB 0.852 64.086 63.200 0.057 0.000 1.034 622 S HN 0.605 nan 8.310 nan 0.000 0.483 623 F N 3.742 123.727 119.950 0.058 0.000 2.581 623 F HA 0.548 5.075 4.527 -0.000 0.000 0.311 623 F C -0.873 174.961 175.800 0.056 0.000 1.113 623 F CA -0.677 57.397 58.000 0.123 0.000 0.935 623 F CB 1.545 40.676 39.000 0.218 0.000 1.232 623 F HN 0.540 nan 8.300 nan 0.000 0.445 624 K N 6.287 126.228 120.400 -0.766 0.000 2.263 624 K HA 0.412 4.732 4.320 -0.000 0.000 0.272 624 K C -0.265 175.821 176.600 -0.858 0.000 1.033 624 K CA -0.683 55.249 56.287 -0.593 0.000 0.884 624 K CB 0.925 33.206 32.500 -0.366 0.000 1.107 624 K HN 0.870 nan 8.250 nan 0.000 0.460 625 R N 2.720 122.968 120.500 -0.420 0.000 2.615 625 R HA -0.001 4.339 4.340 -0.000 0.000 0.270 625 R C 1.005 177.192 176.300 -0.187 0.000 1.081 625 R CA -0.006 55.976 56.100 -0.196 0.000 1.154 625 R CB 0.331 30.603 30.300 -0.046 0.000 1.063 625 R HN 0.730 nan 8.270 nan 0.000 0.519 626 Y N 0.652 120.935 120.300 -0.029 0.000 2.298 626 Y HA -0.176 4.374 4.550 -0.000 0.000 0.287 626 Y C 1.055 176.954 175.900 -0.001 0.000 1.164 626 Y CA 1.398 59.457 58.100 -0.069 0.000 1.229 626 Y CB -0.353 38.117 38.460 0.017 0.000 0.977 626 Y HN 0.624 nan 8.280 nan 0.000 0.538 627 D N -0.004 120.135 120.400 -0.434 0.000 2.325 627 D HA -0.042 4.598 4.640 -0.000 0.000 0.234 627 D C 0.876 177.116 176.300 -0.100 0.000 1.122 627 D CA 0.629 54.507 54.000 -0.203 0.000 0.850 627 D CB -0.864 39.731 40.800 -0.342 0.000 0.921 627 D HN 0.670 nan 8.370 nan 0.000 0.513 628 N N -0.139 118.502 118.700 -0.099 0.000 2.967 628 N HA -0.243 4.497 4.740 -0.000 0.000 0.218 628 N C -0.281 175.187 175.510 -0.071 0.000 0.870 628 N CA 0.955 53.960 53.050 -0.074 0.000 1.030 628 N CB -1.631 36.837 38.487 -0.033 0.000 1.027 628 N HN 0.336 nan 8.380 nan 0.000 0.603 629 A N 1.506 124.284 122.820 -0.070 0.000 2.491 629 A HA 0.367 4.686 4.320 -0.000 0.000 0.261 629 A C 0.142 177.706 177.584 -0.033 0.000 1.101 629 A CA 0.271 52.298 52.037 -0.016 0.000 0.772 629 A CB 0.061 19.078 19.000 0.028 0.000 1.043 629 A HN 0.422 nan 8.150 nan 0.000 0.501 630 E N 1.782 121.967 120.200 -0.024 0.000 2.197 630 E HA 0.526 4.875 4.350 -0.000 0.000 0.281 630 E C -0.877 175.681 176.600 -0.071 0.000 0.995 630 E CA -0.144 56.223 56.400 -0.054 0.000 0.808 630 E CB 1.541 31.210 29.700 -0.052 0.000 1.093 630 E HN 0.633 nan 8.360 nan 0.000 0.394 631 I N 2.009 122.526 120.570 -0.088 0.000 2.465 631 I HA 0.335 4.504 4.170 -0.000 0.000 0.291 631 I C -0.443 175.575 176.117 -0.165 0.000 1.014 631 I CA -0.598 60.546 61.300 -0.260 0.000 1.093 631 I CB 2.162 40.011 38.000 -0.252 0.000 1.267 631 I HN 0.385 nan 8.210 nan 0.000 0.431 632 T N 3.164 117.575 114.554 -0.237 0.000 2.886 632 T HA 0.452 4.802 4.350 -0.000 0.000 0.292 632 T C -0.494 174.115 174.700 -0.153 0.000 1.012 632 T CA -0.775 61.245 62.100 -0.135 0.000 0.982 632 T CB 1.717 70.533 68.868 -0.085 0.000 1.018 632 T HN 0.676 nan 8.240 nan 0.000 0.451 633 S N 1.566 117.195 115.700 -0.118 0.000 2.502 633 S HA 0.877 5.347 4.470 -0.000 0.000 0.304 633 S C -0.041 174.510 174.600 -0.082 0.000 1.097 633 S CA -0.598 57.537 58.200 -0.108 0.000 1.045 633 S CB 1.577 64.702 63.200 -0.125 0.000 1.019 633 S HN 0.863 nan 8.310 nan 0.000 0.481 634 S N 1.970 117.631 115.700 -0.065 0.000 3.132 634 S HA 0.635 5.105 4.470 -0.000 0.000 0.322 634 S C 1.294 175.867 174.600 -0.045 0.000 1.124 634 S CA -0.041 58.128 58.200 -0.052 0.000 0.906 634 S CB 0.164 63.340 63.200 -0.040 0.000 1.349 634 S HN 1.643 nan 8.310 nan 0.000 0.686 635 S N 2.220 117.898 115.700 -0.036 0.000 2.343 635 S HA -0.316 4.154 4.470 -0.000 0.000 0.324 635 S C 0.663 175.244 174.600 -0.032 0.000 1.144 635 S CA 2.089 60.270 58.200 -0.031 0.000 1.548 635 S CB -1.352 61.834 63.200 -0.024 0.000 1.368 635 S HN 0.853 nan 8.310 nan 0.000 0.477 636 N N 1.374 120.056 118.700 -0.029 0.000 2.527 636 N HA 0.316 5.056 4.740 -0.000 0.000 0.279 636 N C -1.138 174.359 175.510 -0.022 0.000 1.571 636 N CA -0.009 53.023 53.050 -0.029 0.000 0.858 636 N CB 1.146 39.615 38.487 -0.031 0.000 1.422 636 N HN 0.789 nan 8.380 nan 0.000 0.491 637 E N 1.053 121.240 120.200 -0.022 0.000 2.292 637 E HA 0.479 4.829 4.350 -0.000 0.000 0.272 637 E C -1.221 175.367 176.600 -0.020 0.000 0.881 637 E CA -0.500 55.895 56.400 -0.008 0.000 0.754 637 E CB 1.950 31.647 29.700 -0.004 0.000 1.201 637 E HN 0.067 nan 8.360 nan 0.000 0.425 638 I N 4.295 124.869 120.570 0.006 0.000 2.390 638 I HA 0.311 4.481 4.170 -0.000 0.000 0.283 638 I C -0.321 175.782 176.117 -0.024 0.000 1.016 638 I CA -0.678 60.590 61.300 -0.054 0.000 1.151 638 I CB 1.346 39.335 38.000 -0.019 0.000 1.293 638 I HN 0.266 nan 8.210 nan 0.000 0.458 639 K N 5.492 125.822 120.400 -0.116 0.000 2.098 639 K HA 0.643 4.962 4.320 -0.000 0.000 0.261 639 K C -1.237 175.242 176.600 -0.203 0.000 0.987 639 K CA -0.446 55.832 56.287 -0.016 0.000 0.916 639 K CB 1.407 33.901 32.500 -0.011 0.000 1.039 639 K HN 0.222 nan 8.250 nan 0.000 0.455 640 F N 0.214 120.163 119.950 -0.001 0.000 2.529 640 F HA 0.106 4.632 4.527 -0.000 0.000 0.320 640 F C 1.336 177.135 175.800 -0.002 0.000 1.118 640 F CA -0.858 57.143 58.000 0.001 0.000 0.915 640 F CB 1.964 40.963 39.000 -0.002 0.000 1.161 640 F HN 0.613 nan 8.300 nan 0.000 0.445 641 S N 2.402 118.180 115.700 0.130 0.000 2.469 641 S HA -0.022 4.448 4.470 -0.000 0.000 0.238 641 S C 0.466 175.115 174.600 0.082 0.000 0.998 641 S CA 0.524 58.769 58.200 0.074 0.000 0.957 641 S CB -0.342 62.876 63.200 0.031 0.000 0.764 641 S HN 0.775 nan 8.310 nan 0.000 0.514 642 R N -0.347 120.225 120.500 0.121 0.000 2.728 642 R HA 0.361 4.701 4.340 -0.000 0.000 0.274 642 R C -1.464 174.878 176.300 0.070 0.000 1.032 642 R CA -0.917 55.229 56.100 0.077 0.000 0.866 642 R CB 0.440 30.770 30.300 0.049 0.000 1.263 642 R HN 0.135 nan 8.270 nan 0.000 0.475 643 E N 2.493 122.705 120.200 0.021 0.000 2.493 643 E HA 0.174 4.524 4.350 -0.000 0.000 0.255 643 E C -0.440 176.151 176.600 -0.014 0.000 0.999 643 E CA -0.064 56.322 56.400 -0.024 0.000 0.934 643 E CB 0.390 30.079 29.700 -0.018 0.000 0.940 643 E HN 0.429 nan 8.360 nan 0.000 0.473 644 I N 1.581 122.108 120.570 -0.071 0.000 2.894 644 I HA 0.381 4.551 4.170 -0.000 0.000 0.302 644 I C -1.298 174.797 176.117 -0.037 0.000 1.188 644 I CA -1.326 59.967 61.300 -0.012 0.000 1.014 644 I CB 1.322 39.352 38.000 0.050 0.000 1.242 644 I HN 0.427 nan 8.210 nan 0.000 0.430 645 Y N 4.475 124.737 120.300 -0.063 0.000 2.346 645 Y HA 0.647 5.197 4.550 -0.000 0.000 0.330 645 Y C -0.810 175.061 175.900 -0.047 0.000 1.178 645 Y CA 0.044 58.108 58.100 -0.059 0.000 1.331 645 Y CB 1.296 39.741 38.460 -0.026 0.000 1.253 645 Y HN 0.441 nan 8.280 nan 0.000 0.529 646 V N 6.710 126.218 119.914 -0.677 0.000 2.524 646 V HA 0.185 4.305 4.120 -0.000 0.000 0.297 646 V C 0.117 175.862 176.094 -0.580 0.000 1.035 646 V CA 0.004 62.057 62.300 -0.411 0.000 0.867 646 V CB 1.176 32.840 31.823 -0.265 0.000 1.004 646 V HN 1.001 nan 8.190 nan 0.000 0.426 647 S N 4.259 119.801 115.700 -0.263 0.000 2.294 647 S HA 0.161 4.631 4.470 -0.000 0.000 0.182 647 S C 0.718 175.263 174.600 -0.092 0.000 1.053 647 S CA 0.254 58.377 58.200 -0.127 0.000 1.161 647 S CB 0.013 63.265 63.200 0.087 0.000 0.890 647 S HN 0.604 nan 8.310 nan 0.000 0.448 648 K N 0.887 121.266 120.400 -0.035 0.000 2.211 648 K HA 0.523 4.843 4.320 -0.000 0.000 0.275 648 K C -1.550 175.032 176.600 -0.030 0.000 1.024 648 K CA -0.794 55.475 56.287 -0.031 0.000 0.887 648 K CB 1.013 33.503 32.500 -0.017 0.000 1.084 648 K HN 0.371 nan 8.250 nan 0.000 0.463 649 L N 3.601 124.807 121.223 -0.029 0.000 2.313 649 L HA 0.455 4.795 4.340 -0.000 0.000 0.283 649 L C -1.210 175.649 176.870 -0.019 0.000 1.013 649 L CA 0.227 55.057 54.840 -0.017 0.000 0.816 649 L CB 1.977 44.033 42.059 -0.005 0.000 1.236 649 L HN 0.618 nan 8.230 nan 0.000 0.419 650 T N 6.638 121.173 114.554 -0.033 0.000 2.792 650 T HA 0.611 4.960 4.350 -0.000 0.000 0.280 650 T C -0.257 174.404 174.700 -0.065 0.000 0.990 650 T CA -0.092 61.979 62.100 -0.048 0.000 0.960 650 T CB 0.722 69.549 68.868 -0.070 0.000 0.939 650 T HN 0.439 nan 8.240 nan 0.000 0.439 651 I N 3.514 124.060 120.570 -0.039 0.000 2.389 651 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 651 I C 0.659 176.721 176.117 -0.092 0.000 0.999 651 I CA -0.826 60.447 61.300 -0.044 0.000 1.129 651 I CB 1.862 39.877 38.000 0.025 0.000 1.288 651 I HN 0.607 nan 8.210 nan 0.000 0.444 652 T N 2.191 116.573 114.554 -0.287 0.000 2.795 652 T HA 0.636 4.985 4.350 -0.000 0.000 0.282 652 T C -0.393 174.150 174.700 -0.261 0.000 0.980 652 T CA -0.554 61.226 62.100 -0.533 0.000 1.012 652 T CB 1.603 69.560 68.868 -1.518 0.000 0.936 652 T HN 0.551 nan 8.240 nan 0.000 0.457 653 S N 1.673 117.331 115.700 -0.070 0.000 2.535 653 S HA 0.301 4.771 4.470 -0.000 0.000 0.272 653 S C 0.413 175.091 174.600 0.131 0.000 1.149 653 S CA -0.710 57.536 58.200 0.077 0.000 0.888 653 S CB 1.733 65.007 63.200 0.124 0.000 1.110 653 S HN 0.827 nan 8.310 nan 0.000 0.463 654 E N 1.602 121.868 120.200 0.110 0.000 2.216 654 E HA 0.058 4.408 4.350 -0.000 0.000 0.192 654 E C -0.098 176.568 176.600 0.109 0.000 0.988 654 E CA 0.611 57.075 56.400 0.106 0.000 0.834 654 E CB 0.174 29.932 29.700 0.096 0.000 0.772 654 E HN 0.409 nan 8.360 nan 0.000 0.479 655 K N 2.380 122.832 120.400 0.086 0.000 2.172 655 K HA 0.217 4.537 4.320 -0.000 0.000 0.276 655 K C -2.401 174.203 176.600 0.007 0.000 1.013 655 K CA -2.055 54.257 56.287 0.042 0.000 0.913 655 K CB 0.975 33.479 32.500 0.007 0.000 1.055 655 K HN -0.075 nan 8.250 nan 0.000 0.461 656 P HA -0.017 nan 4.420 nan 0.000 0.267 656 P C -0.664 176.354 177.300 -0.471 0.000 1.200 656 P CA -0.175 62.786 63.100 -0.232 0.000 0.772 656 P CB 0.665 32.318 31.700 -0.079 0.000 0.855 657 V N 2.556 121.878 119.914 -0.987 0.000 2.376 657 V HA 0.106 4.226 4.120 -0.000 0.000 0.287 657 V C 1.522 177.334 176.094 -0.470 0.000 1.015 657 V CA -0.027 61.881 62.300 -0.654 0.000 0.834 657 V CB 0.947 32.371 31.823 -0.665 0.000 1.001 657 V HN 0.713 nan 8.190 nan 0.000 0.428 658 S N 3.654 119.208 115.700 -0.244 0.000 2.439 658 S HA 0.163 4.633 4.470 -0.000 0.000 0.224 658 S C 0.517 175.061 174.600 -0.094 0.000 1.029 658 S CA 0.191 58.307 58.200 -0.138 0.000 0.946 658 S CB 0.053 63.198 63.200 -0.092 0.000 0.797 658 S HN 0.847 nan 8.310 nan 0.000 0.504 659 K N 0.404 120.747 120.400 -0.095 0.000 2.607 659 K HA 0.640 4.959 4.320 -0.000 0.000 0.287 659 K C -1.416 175.149 176.600 -0.059 0.000 0.996 659 K CA -1.206 55.043 56.287 -0.062 0.000 0.876 659 K CB 1.109 33.581 32.500 -0.046 0.000 1.496 659 K HN 0.303 nan 8.250 nan 0.000 0.415 660 I N -1.338 119.207 120.570 -0.042 0.000 2.740 660 I HA 0.645 4.815 4.170 -0.000 0.000 0.303 660 I C -1.050 175.051 176.117 -0.028 0.000 1.044 660 I CA -1.393 59.888 61.300 -0.033 0.000 1.064 660 I CB 1.873 39.858 38.000 -0.024 0.000 1.249 660 I HN 0.573 nan 8.210 nan 0.000 0.433 661 I N 4.718 125.275 120.570 -0.022 0.000 2.439 661 I HA 0.328 4.498 4.170 -0.000 0.000 0.285 661 I C -0.605 175.501 176.117 -0.020 0.000 1.021 661 I CA -1.006 60.281 61.300 -0.021 0.000 1.091 661 I CB 2.039 40.028 38.000 -0.018 0.000 1.242 661 I HN 0.329 nan 8.210 nan 0.000 0.439 662 V N 5.963 125.857 119.914 -0.032 0.000 2.389 662 V HA 0.097 4.216 4.120 -0.000 0.000 0.264 662 V C 0.338 176.409 176.094 -0.039 0.000 1.049 662 V CA -0.081 62.192 62.300 -0.045 0.000 0.932 662 V CB 0.381 32.162 31.823 -0.070 0.000 1.011 662 V HN 0.857 nan 8.190 nan 0.000 0.475 663 D N 3.380 123.763 120.400 -0.029 0.000 2.751 663 D HA -0.182 4.458 4.640 -0.000 0.000 0.233 663 D C 0.153 176.444 176.300 -0.015 0.000 1.149 663 D CA 1.192 55.179 54.000 -0.021 0.000 0.682 663 D CB -0.768 40.011 40.800 -0.035 0.000 1.068 663 D HN 0.972 nan 8.370 nan 0.000 0.429 664 D N -1.482 118.911 120.400 -0.012 0.000 2.778 664 D HA -0.173 4.467 4.640 -0.000 0.000 0.246 664 D C 0.741 177.033 176.300 -0.014 0.000 1.107 664 D CA 1.477 55.470 54.000 -0.011 0.000 0.732 664 D CB -1.372 39.424 40.800 -0.007 0.000 1.055 664 D HN 0.628 nan 8.370 nan 0.000 0.429 665 S N -2.024 113.666 115.700 -0.018 0.000 4.938 665 S HA -0.018 4.452 4.470 -0.000 0.000 0.228 665 S C -0.850 173.737 174.600 -0.022 0.000 1.145 665 S CA -0.860 57.329 58.200 -0.018 0.000 1.293 665 S CB 0.626 63.816 63.200 -0.018 0.000 1.757 665 S HN -0.031 nan 8.310 nan 0.000 0.389 666 K N 3.304 123.690 120.400 -0.024 0.000 2.296 666 K HA -0.029 4.291 4.320 -0.000 0.000 0.247 666 K C -0.161 176.422 176.600 -0.029 0.000 1.301 666 K CA 0.903 57.174 56.287 -0.026 0.000 1.281 666 K CB -1.088 31.393 32.500 -0.031 0.000 0.738 666 K HN 0.535 nan 8.250 nan 0.000 0.524 667 E N 2.348 122.533 120.200 -0.025 0.000 2.319 667 E HA 0.294 4.643 4.350 -0.000 0.000 0.268 667 E C 0.269 176.853 176.600 -0.026 0.000 1.050 667 E CA -0.604 55.781 56.400 -0.025 0.000 0.878 667 E CB 0.991 30.677 29.700 -0.023 0.000 1.066 667 E HN 0.250 nan 8.360 nan 0.000 0.406 668 I N 1.857 122.410 120.570 -0.027 0.000 2.509 668 I HA 0.099 4.269 4.170 -0.000 0.000 0.293 668 I C 0.107 176.212 176.117 -0.019 0.000 1.020 668 I CA -0.721 60.564 61.300 -0.026 0.000 1.088 668 I CB 1.500 39.480 38.000 -0.032 0.000 1.267 668 I HN 0.599 nan 8.210 nan 0.000 0.430 669 Q N 4.483 124.274 119.800 -0.014 0.000 2.242 669 Q HA 0.173 4.513 4.340 -0.000 0.000 0.284 669 Q C -1.302 174.698 176.000 -0.001 0.000 1.130 669 Q CA 0.153 55.951 55.803 -0.007 0.000 0.940 669 Q CB 0.543 29.278 28.738 -0.004 0.000 1.146 669 Q HN 0.474 nan 8.270 nan 0.000 0.388 670 V N 5.579 125.495 119.914 0.003 0.000 2.394 670 V HA 0.276 4.396 4.120 -0.000 0.000 0.282 670 V C -0.280 175.847 176.094 0.055 0.000 1.031 670 V CA -0.381 61.933 62.300 0.022 0.000 0.881 670 V CB 1.339 33.160 31.823 -0.003 0.000 0.982 670 V HN 0.904 nan 8.190 nan 0.000 0.451 671 E N 3.948 124.197 120.200 0.082 0.000 2.238 671 E HA 0.544 4.894 4.350 -0.000 0.000 0.267 671 E C -0.793 175.888 176.600 0.136 0.000 0.887 671 E CA -1.080 55.376 56.400 0.094 0.000 0.769 671 E CB 2.078 31.804 29.700 0.043 0.000 1.187 671 E HN 0.478 nan 8.360 nan 0.000 0.416 672 K N 2.088 122.571 120.400 0.138 0.000 2.316 672 K HA 0.101 4.421 4.320 -0.000 0.000 0.289 672 K C 0.421 176.977 176.600 -0.074 0.000 1.070 672 K CA 0.196 56.476 56.287 -0.011 0.000 0.928 672 K CB 0.608 33.132 32.500 0.040 0.000 1.039 672 K HN 0.791 nan 8.250 nan 0.000 0.480 673 T N 1.608 116.086 114.554 -0.128 0.000 3.035 673 T HA 0.087 4.437 4.350 -0.000 0.000 0.259 673 T C 0.846 175.486 174.700 -0.099 0.000 1.078 673 T CA 0.214 62.260 62.100 -0.090 0.000 1.132 673 T CB -0.229 68.589 68.868 -0.083 0.000 0.900 673 T HN 0.708 nan 8.240 nan 0.000 0.480 674 M N -0.225 119.285 119.600 -0.151 0.000 3.069 674 M HA 0.356 4.836 4.480 -0.000 0.000 0.274 674 M C -1.708 174.490 176.300 -0.170 0.000 1.146 674 M CA -1.326 53.901 55.300 -0.122 0.000 0.807 674 M CB 1.584 34.127 32.600 -0.095 0.000 1.621 674 M HN 0.032 nan 8.290 nan 0.000 0.521 675 Q N 1.467 121.201 119.800 -0.111 0.000 2.304 675 Q HA 0.083 4.423 4.340 -0.000 0.000 0.315 675 Q C -0.478 175.451 176.000 -0.117 0.000 1.075 675 Q CA 0.898 56.642 55.803 -0.098 0.000 0.988 675 Q CB -0.185 28.529 28.738 -0.040 0.000 1.146 675 Q HN 0.816 nan 8.270 nan 0.000 0.383 676 N N 0.501 119.103 118.700 -0.163 0.000 2.815 676 N HA -0.148 4.592 4.740 -0.000 0.000 0.247 676 N C -1.040 174.277 175.510 -0.322 0.000 1.030 676 N CA 1.715 54.678 53.050 -0.146 0.000 0.881 676 N CB -1.485 37.008 38.487 0.011 0.000 1.134 676 N HN 0.758 nan 8.380 nan 0.000 0.582 677 T N 1.095 115.340 114.554 -0.514 0.000 2.791 677 T HA 0.529 4.879 4.350 -0.000 0.000 0.288 677 T C -0.542 173.749 174.700 -0.682 0.000 0.999 677 T CA -0.347 61.490 62.100 -0.440 0.000 0.952 677 T CB 0.755 69.516 68.868 -0.179 0.000 0.938 677 T HN 0.027 nan 8.240 nan 0.000 0.444 678 Y N 1.467 121.726 120.300 -0.069 0.000 2.341 678 Y HA 0.601 5.151 4.550 -0.000 0.000 0.338 678 Y C -0.096 175.769 175.900 -0.058 0.000 0.965 678 Y CA -1.150 56.917 58.100 -0.055 0.000 1.108 678 Y CB 1.407 39.835 38.460 -0.054 0.000 1.180 678 Y HN 0.332 nan 8.280 nan 0.000 0.458 679 V N 2.715 122.677 119.914 0.080 0.000 2.628 679 V HA 0.884 5.004 4.120 -0.000 0.000 0.306 679 V C -0.463 175.648 176.094 0.029 0.000 1.045 679 V CA -0.928 61.388 62.300 0.027 0.000 0.905 679 V CB 1.675 33.493 31.823 -0.007 0.000 0.997 679 V HN 0.846 nan 8.190 nan 0.000 0.436 680 A N 4.151 126.975 122.820 0.008 0.000 2.357 680 A HA 0.665 4.985 4.320 -0.000 0.000 0.295 680 A C -0.410 177.161 177.584 -0.021 0.000 1.121 680 A CA -0.807 51.227 52.037 -0.004 0.000 0.742 680 A CB 0.984 19.979 19.000 -0.008 0.000 1.181 680 A HN 0.615 nan 8.150 nan 0.000 0.454 681 K N 4.178 124.566 120.400 -0.021 0.000 2.171 681 K HA 0.254 4.574 4.320 -0.000 0.000 0.274 681 K C 0.485 177.056 176.600 -0.047 0.000 1.110 681 K CA 0.022 56.292 56.287 -0.028 0.000 0.952 681 K CB 0.480 32.972 32.500 -0.015 0.000 1.309 681 K HN 0.739 nan 8.250 nan 0.000 0.414 682 I N 0.952 121.474 120.570 -0.081 0.000 2.339 682 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 682 I C 0.113 176.137 176.117 -0.155 0.000 1.096 682 I CA 0.138 61.366 61.300 -0.120 0.000 1.408 682 I CB -0.121 37.783 38.000 -0.160 0.000 1.092 682 I HN 0.589 nan 8.210 nan 0.000 0.423 683 N N 3.376 121.946 118.700 -0.216 0.000 2.686 683 N HA -0.217 4.522 4.740 -0.000 0.000 0.261 683 N C -0.431 174.952 175.510 -0.212 0.000 1.001 683 N CA 0.974 53.905 53.050 -0.199 0.000 0.764 683 N CB -1.099 37.408 38.487 0.033 0.000 0.898 683 N HN 0.727 nan 8.380 nan 0.000 0.544 684 Q N -2.314 117.146 119.800 -0.567 0.000 2.721 684 Q HA 0.346 4.686 4.340 -0.000 0.000 0.282 684 Q C -1.415 174.398 176.000 -0.312 0.000 0.932 684 Q CA -1.102 54.568 55.803 -0.222 0.000 0.816 684 Q CB 1.280 29.963 28.738 -0.092 0.000 1.506 684 Q HN 0.013 nan 8.270 nan 0.000 0.399 685 K N 1.160 121.546 120.400 -0.024 0.000 2.355 685 K HA 0.404 4.724 4.320 -0.000 0.000 0.270 685 K C -0.511 175.995 176.600 -0.156 0.000 1.003 685 K CA 0.065 56.324 56.287 -0.047 0.000 0.957 685 K CB 0.522 33.048 32.500 0.044 0.000 0.939 685 K HN 0.430 nan 8.250 nan 0.000 0.482 686 I N 2.554 122.979 120.570 -0.243 0.000 2.418 686 I HA 0.179 4.349 4.170 -0.000 0.000 0.287 686 I C 1.318 177.287 176.117 -0.247 0.000 1.008 686 I CA -0.547 60.565 61.300 -0.312 0.000 1.104 686 I CB 1.747 39.393 38.000 -0.590 0.000 1.264 686 I HN 0.665 nan 8.210 nan 0.000 0.438 687 R N 4.423 124.837 120.500 -0.143 0.000 2.083 687 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 687 R C 1.311 177.582 176.300 -0.049 0.000 1.137 687 R CA 2.298 58.352 56.100 -0.076 0.000 0.951 687 R CB 0.066 30.340 30.300 -0.044 0.000 0.851 687 R HN 0.922 nan 8.270 nan 0.000 0.434 688 G N -1.003 107.773 108.800 -0.040 0.000 3.858 688 G HA2 0.076 4.035 3.960 -0.000 0.000 0.164 688 G HA3 0.076 4.035 3.960 -0.000 0.000 0.164 688 G C -0.794 174.219 174.900 0.189 0.000 1.116 688 G CA 0.102 45.246 45.100 0.074 0.000 0.830 688 G HN 0.368 nan 8.290 nan 0.000 0.666 689 K N -0.457 120.013 120.400 0.116 0.000 2.607 689 K HA 0.744 5.064 4.320 -0.000 0.000 0.287 689 K C -2.069 174.602 176.600 0.119 0.000 0.996 689 K CA -0.957 55.450 56.287 0.199 0.000 0.876 689 K CB 1.318 33.890 32.500 0.120 0.000 1.496 689 K HN 0.006 nan 8.250 nan 0.000 0.415 690 I N 1.341 122.008 120.570 0.160 0.000 2.569 690 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 690 I C -1.403 174.747 176.117 0.055 0.000 1.088 690 I CA -1.009 60.346 61.300 0.091 0.000 1.047 690 I CB 2.418 40.495 38.000 0.129 0.000 1.237 690 I HN 0.643 nan 8.210 nan 0.000 0.421 691 N N 4.943 123.655 118.700 0.020 0.000 2.370 691 N HA 0.724 5.464 4.740 -0.000 0.000 0.303 691 N C -1.441 174.061 175.510 -0.014 0.000 1.103 691 N CA -0.563 52.488 53.050 0.002 0.000 0.848 691 N CB 1.825 40.309 38.487 -0.004 0.000 1.235 691 N HN 0.257 nan 8.380 nan 0.000 0.496 692 L N 1.053 122.261 121.223 -0.025 0.000 2.334 692 L HA 0.555 4.894 4.340 -0.000 0.000 0.273 692 L C 0.223 177.061 176.870 -0.054 0.000 1.013 692 L CA -0.281 54.532 54.840 -0.045 0.000 0.816 692 L CB 1.343 43.371 42.059 -0.052 0.000 1.278 692 L HN 0.593 nan 8.230 nan 0.000 0.431 693 E N 0.000 120.157 120.200 -0.072 0.000 2.725 693 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 693 E CA 0.000 56.357 56.400 -0.071 0.000 0.976 693 E CB 0.000 29.668 29.700 -0.054 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440