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 3o8c_1_B DATA FIRST_RESID -15 DATA SEQUENCE GSVVIVGRII LSGSGSXXIT AYSQQTRGLL GCIITSLTGR DKNQVEGEVQ DATA SEQUENCE VVSTATQSFL ATCVNGVCWT VYHGAGSKTL AGPKGPITQM YTNVDQDLVG DATA SEQUENCE WQAPPGARSL TPCTCGSSDL YLVTRHADVI PVRRRGDSRG SLLSPRPVSY DATA SEQUENCE LKGSSGGPLL CPSGHAVGIF RAAVCTRGVA KAVDFVPVES METTMRSPVF DATA SEQUENCE TDNSSPPAVP QSFQVAHLHA PTGSGKSTKV PAAYAAQGYK VLVLNPSVAA DATA SEQUENCE TLGFGAYMSK AHGIDPNIRT GVRTITTGAP VTYSTYGKFL ADGGCSGGAY DATA SEQUENCE DIIICDECHS TDSTTILGIG TVLDQAETAG ARLVVLATAT PPGSVTVPHP DATA SEQUENCE NIEEVALSNT GEIPFYGKAI PIEAIRGGRH LIFCHSKKKC DELAAKLSGL DATA SEQUENCE GINAVAYYRG LDVSVIPTIG DVVVVATDAL MTGYTGDFDS VIDCNTCVTQ DATA SEQUENCE TVDFSLDPTF TIETTTVPQD AVSRSQRRGR TGRGRRGIYR FVTPGERPSG DATA SEQUENCE MFDSSVLCEC YDAGCAWYEL TPAETSVRLR AYLNTPGLPV CQDHLEFWES DATA SEQUENCE VFTGLTHIDA HFLSQTKQAG DNFPYLVAYQ ATVCARAQAP PPSWDQMWKC DATA SEQUENCE LIRLKPTLHG PTPLLYRLGA VQNEVTLTHP ITKYIMACMS ADLEVVT 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 -15 G HA2 0.000 nan 3.960 nan 0.000 0.244 -15 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -15 G C 0.000 174.905 174.900 0.008 0.000 0.946 -15 G CA 0.000 45.103 45.100 0.005 0.000 0.502 -14 S N -1.198 114.494 115.700 -0.013 0.000 2.646 -14 S HA 0.619 5.089 4.470 -0.000 0.000 0.276 -14 S C 0.517 175.087 174.600 -0.050 0.000 1.222 -14 S CA -0.533 57.648 58.200 -0.031 0.000 1.014 -14 S CB 1.689 64.845 63.200 -0.074 0.000 0.991 -14 S HN 0.680 nan 8.310 nan 0.000 0.533 -13 V N 2.528 122.398 119.914 -0.073 0.000 2.715 -13 V HA 0.231 4.351 4.120 -0.000 0.000 0.299 -13 V C -0.069 175.883 176.094 -0.237 0.000 1.054 -13 V CA -0.091 62.131 62.300 -0.131 0.000 1.077 -13 V CB 0.909 32.647 31.823 -0.141 0.000 0.972 -13 V HN 0.614 nan 8.190 nan 0.000 0.484 -12 V N 5.695 125.480 119.914 -0.215 0.000 2.604 -12 V HA 0.458 4.578 4.120 -0.000 0.000 0.305 -12 V C -0.097 175.864 176.094 -0.221 0.000 1.043 -12 V CA -0.639 61.539 62.300 -0.203 0.000 0.888 -12 V CB 2.007 33.748 31.823 -0.136 0.000 0.995 -12 V HN 0.646 nan 8.190 nan 0.000 0.429 -11 I N 4.611 125.057 120.570 -0.207 0.000 2.396 -11 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 -11 I C 0.808 176.846 176.117 -0.132 0.000 1.056 -11 I CA 0.146 61.339 61.300 -0.178 0.000 1.365 -11 I CB 1.349 39.253 38.000 -0.160 0.000 1.407 -11 I HN 0.625 nan 8.210 nan 0.000 0.509 -10 V N 2.571 122.411 119.914 -0.123 0.000 3.346 -10 V HA 0.715 4.835 4.120 -0.000 0.000 0.309 -10 V C 0.410 176.464 176.094 -0.067 0.000 1.457 -10 V CA 0.265 62.513 62.300 -0.088 0.000 1.069 -10 V CB -0.159 31.614 31.823 -0.084 0.000 0.944 -10 V HN 0.877 nan 8.190 nan 0.000 0.449 -9 G N 0.806 109.562 108.800 -0.073 0.000 2.321 -9 G HA2 0.626 4.586 3.960 -0.000 0.000 0.296 -9 G HA3 0.626 4.586 3.960 -0.000 0.000 0.296 -9 G C -1.416 173.446 174.900 -0.062 0.000 1.287 -9 G CA -0.503 44.565 45.100 -0.054 0.000 0.846 -9 G HN 0.773 nan 8.290 nan 0.000 0.508 -8 R N -1.421 119.044 120.500 -0.058 0.000 2.710 -8 R HA 0.714 5.054 4.340 -0.000 0.000 0.270 -8 R C -1.572 174.669 176.300 -0.098 0.000 1.021 -8 R CA -1.030 55.026 56.100 -0.073 0.000 0.889 -8 R CB 1.482 31.738 30.300 -0.073 0.000 1.243 -8 R HN 0.430 nan 8.270 nan 0.000 0.464 -7 I N 3.004 123.506 120.570 -0.113 0.000 2.355 -7 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 -7 I C -0.189 175.791 176.117 -0.230 0.000 0.999 -7 I CA -1.005 60.199 61.300 -0.160 0.000 1.163 -7 I CB 1.446 39.387 38.000 -0.098 0.000 1.316 -7 I HN 0.567 nan 8.210 nan 0.000 0.454 -6 I N 6.866 127.166 120.570 -0.451 0.000 2.371 -6 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 -6 I C 0.379 176.301 176.117 -0.326 0.000 1.028 -6 I CA -0.444 60.577 61.300 -0.464 0.000 1.345 -6 I CB 0.904 38.406 38.000 -0.830 0.000 1.407 -6 I HN 0.295 nan 8.210 nan 0.000 0.501 -5 L N 5.204 126.337 121.223 -0.150 0.000 2.357 -5 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 -5 L C 0.958 177.812 176.870 -0.027 0.000 1.080 -5 L CA -0.556 54.242 54.840 -0.071 0.000 0.803 -5 L CB 1.396 43.433 42.059 -0.037 0.000 1.174 -5 L HN 0.714 nan 8.230 nan 0.000 0.443 -4 S N 0.856 116.554 115.700 -0.002 0.000 2.584 -4 S HA 0.168 4.638 4.470 -0.000 0.000 0.270 -4 S C 1.080 175.684 174.600 0.007 0.000 1.346 -4 S CA -0.198 58.014 58.200 0.019 0.000 1.018 -4 S CB 1.446 64.653 63.200 0.012 0.000 0.899 -4 S HN 0.779 nan 8.310 nan 0.000 0.542 -3 G N 0.822 109.631 108.800 0.014 0.000 2.484 -3 G HA2 0.208 4.168 3.960 -0.000 0.000 0.215 -3 G HA3 0.208 4.168 3.960 -0.000 0.000 0.215 -3 G C 0.549 175.448 174.900 -0.001 0.000 1.219 -3 G CA 0.846 45.953 45.100 0.011 0.000 0.791 -3 G HN 1.033 nan 8.290 nan 0.000 0.550 -2 S N -2.902 112.792 115.700 -0.010 0.000 2.672 -2 S HA 0.518 4.988 4.470 -0.000 0.000 0.271 -2 S C -0.322 174.258 174.600 -0.034 0.000 1.171 -2 S CA 0.766 58.951 58.200 -0.025 0.000 0.817 -2 S CB 0.933 64.123 63.200 -0.017 0.000 1.150 -2 S HN 1.987 nan 8.310 nan 0.000 0.478 -1 G N 1.807 110.579 108.800 -0.047 0.000 2.920 -1 G HA2 0.133 4.093 3.960 -0.000 0.000 0.210 -1 G HA3 0.133 4.093 3.960 -0.000 0.000 0.210 -1 G C 0.180 175.041 174.900 -0.065 0.000 0.806 -1 G CA 0.436 45.506 45.100 -0.050 0.000 0.853 -1 G HN 1.779 nan 8.290 nan 0.000 0.333 4 T N 2.104 116.628 114.554 -0.050 0.000 2.907 4 T HA 0.997 5.346 4.350 -0.000 0.000 0.290 4 T C -0.608 174.105 174.700 0.021 0.000 1.066 4 T CA -0.845 61.254 62.100 -0.002 0.000 1.012 4 T CB 2.686 71.570 68.868 0.027 0.000 1.184 4 T HN 0.915 nan 8.240 nan 0.000 0.522 5 A N 0.882 123.735 122.820 0.054 0.000 2.604 5 A HA 0.819 5.139 4.320 -0.000 0.000 0.295 5 A C -1.700 175.955 177.584 0.119 0.000 1.067 5 A CA -1.157 50.894 52.037 0.025 0.000 0.683 5 A CB 1.136 20.123 19.000 -0.022 0.000 1.281 5 A HN 1.516 nan 8.150 nan 0.000 0.407 6 Y N -0.603 119.701 120.300 0.007 0.000 2.615 6 Y HA 0.843 5.393 4.550 -0.000 0.000 0.341 6 Y C -0.095 175.811 175.900 0.010 0.000 1.089 6 Y CA -0.551 57.555 58.100 0.010 0.000 1.049 6 Y CB 1.144 39.608 38.460 0.006 0.000 1.296 6 Y HN 1.064 nan 8.280 nan 0.000 0.470 7 S N 0.846 116.628 115.700 0.136 0.000 2.648 7 S HA 0.760 5.229 4.470 -0.000 0.000 0.305 7 S C -1.269 173.400 174.600 0.115 0.000 1.094 7 S CA -0.963 57.255 58.200 0.031 0.000 0.983 7 S CB 2.105 65.331 63.200 0.044 0.000 1.101 7 S HN 0.756 nan 8.310 nan 0.000 0.514 8 Q N 0.655 120.480 119.800 0.043 0.000 2.305 8 Q HA 0.368 4.708 4.340 -0.000 0.000 0.271 8 Q C -1.512 174.501 176.000 0.022 0.000 1.046 8 Q CA -0.403 55.437 55.803 0.062 0.000 0.798 8 Q CB 2.549 31.325 28.738 0.063 0.000 1.286 8 Q HN 0.796 nan 8.270 nan 0.000 0.435 9 Q N 1.504 121.319 119.800 0.025 0.000 2.340 9 Q HA 0.282 4.621 4.340 -0.000 0.000 0.259 9 Q C -0.096 175.904 176.000 0.000 0.000 0.964 9 Q CA -0.117 55.691 55.803 0.007 0.000 0.900 9 Q CB 0.963 29.709 28.738 0.012 0.000 1.228 9 Q HN 0.840 nan 8.270 nan 0.000 0.449 10 T N 0.873 115.419 114.554 -0.014 0.000 3.023 10 T HA 0.350 4.700 4.350 -0.000 0.000 0.253 10 T C 0.283 174.970 174.700 -0.022 0.000 1.038 10 T CA -0.246 61.844 62.100 -0.016 0.000 0.962 10 T CB 0.405 69.258 68.868 -0.025 0.000 1.018 10 T HN 0.330 nan 8.240 nan 0.000 0.521 11 R N 0.426 120.911 120.500 -0.026 0.000 2.604 11 R HA 0.719 5.059 4.340 -0.000 0.000 0.281 11 R C 0.192 176.479 176.300 -0.022 0.000 1.020 11 R CA -0.340 55.743 56.100 -0.029 0.000 0.899 11 R CB 1.571 31.845 30.300 -0.043 0.000 1.205 11 R HN 0.240 nan 8.270 nan 0.000 0.450 12 G N 1.349 110.139 108.800 -0.017 0.000 2.543 12 G HA2 0.192 4.152 3.960 -0.000 0.000 0.267 12 G HA3 0.192 4.152 3.960 -0.000 0.000 0.267 12 G C 0.108 175.000 174.900 -0.013 0.000 1.406 12 G CA -0.337 44.756 45.100 -0.011 0.000 1.048 12 G HN 0.485 nan 8.290 nan 0.000 0.548 13 L N -0.873 120.346 121.223 -0.007 0.000 2.095 13 L HA 0.134 4.474 4.340 -0.000 0.000 0.204 13 L C 2.463 179.329 176.870 -0.008 0.000 1.080 13 L CA 1.359 56.195 54.840 -0.006 0.000 0.759 13 L CB -0.732 41.327 42.059 0.000 0.000 0.914 13 L HN 0.399 nan 8.230 nan 0.000 0.439 14 L N 0.003 121.222 121.223 -0.007 0.000 2.017 14 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 14 L C 2.319 179.182 176.870 -0.012 0.000 1.073 14 L CA 2.181 57.017 54.840 -0.007 0.000 0.745 14 L CB -1.556 40.500 42.059 -0.005 0.000 0.894 14 L HN 0.319 nan 8.230 nan 0.000 0.432 15 G N -1.530 107.260 108.800 -0.016 0.000 2.422 15 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 15 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 15 G C 1.836 176.718 174.900 -0.030 0.000 1.146 15 G CA 0.921 46.007 45.100 -0.022 0.000 0.769 15 G HN 0.575 nan 8.290 nan 0.000 0.547 16 C N 0.167 119.449 119.300 -0.031 0.000 2.432 16 C HA -0.009 4.451 4.460 -0.000 0.000 0.277 16 C C 2.789 177.760 174.990 -0.032 0.000 1.249 16 C CA 0.902 59.896 59.018 -0.039 0.000 1.725 16 C CB -0.934 26.783 27.740 -0.038 0.000 2.028 16 C HN 0.356 nan 8.230 nan 0.000 0.477 17 I N 1.244 121.802 120.570 -0.019 0.000 2.179 17 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 17 I C 2.290 178.399 176.117 -0.013 0.000 1.088 17 I CA 1.657 62.950 61.300 -0.012 0.000 1.357 17 I CB -0.640 37.358 38.000 -0.003 0.000 1.051 17 I HN 0.350 nan 8.210 nan 0.000 0.409 18 I N -0.387 120.174 120.570 -0.015 0.000 2.142 18 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 18 I C 2.302 178.405 176.117 -0.023 0.000 1.078 18 I CA 1.706 62.997 61.300 -0.015 0.000 1.343 18 I CB -0.746 37.245 38.000 -0.015 0.000 1.046 18 I HN 0.190 nan 8.210 nan 0.000 0.405 19 T N -0.531 114.003 114.554 -0.033 0.000 2.833 19 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 19 T C 2.065 176.735 174.700 -0.050 0.000 1.054 19 T CA 1.612 63.684 62.100 -0.046 0.000 1.135 19 T CB -0.214 68.619 68.868 -0.059 0.000 0.869 19 T HN 0.322 nan 8.240 nan 0.000 0.466 20 S N 0.635 116.308 115.700 -0.044 0.000 2.368 20 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 20 S C 1.886 176.471 174.600 -0.025 0.000 1.029 20 S CA 0.667 58.843 58.200 -0.039 0.000 0.988 20 S CB -0.317 62.866 63.200 -0.028 0.000 0.838 20 S HN 0.195 nan 8.310 nan 0.000 0.462 21 L N 1.709 122.923 121.223 -0.016 0.000 2.056 21 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 21 L C 2.892 179.757 176.870 -0.009 0.000 1.078 21 L CA 2.244 57.081 54.840 -0.006 0.000 0.749 21 L CB -1.525 40.535 42.059 0.001 0.000 0.901 21 L HN 0.598 nan 8.230 nan 0.000 0.433 22 T N -4.682 109.862 114.554 -0.016 0.000 3.054 22 T HA 0.213 4.563 4.350 -0.000 0.000 0.259 22 T C 1.619 176.303 174.700 -0.026 0.000 1.092 22 T CA 0.521 62.611 62.100 -0.017 0.000 1.121 22 T CB -0.141 68.716 68.868 -0.019 0.000 0.912 22 T HN 0.376 nan 8.240 nan 0.000 0.489 23 G N 1.858 110.635 108.800 -0.038 0.000 2.175 23 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.265 23 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.265 23 G C 0.195 175.059 174.900 -0.060 0.000 0.979 23 G CA 0.356 45.424 45.100 -0.053 0.000 0.663 23 G HN 0.904 nan 8.290 nan 0.000 0.533 24 R N 0.499 120.968 120.500 -0.051 0.000 2.275 24 R HA 0.589 4.929 4.340 -0.000 0.000 0.326 24 R C -1.300 174.967 176.300 -0.054 0.000 0.973 24 R CA -0.803 55.268 56.100 -0.049 0.000 0.854 24 R CB 0.830 31.109 30.300 -0.035 0.000 1.156 24 R HN 0.094 nan 8.270 nan 0.000 0.487 25 D N 3.124 123.484 120.400 -0.066 0.000 2.471 25 D HA 0.274 4.914 4.640 -0.000 0.000 0.245 25 D C -0.425 175.840 176.300 -0.059 0.000 1.116 25 D CA -0.493 53.466 54.000 -0.068 0.000 0.853 25 D CB 1.334 42.078 40.800 -0.092 0.000 1.123 25 D HN 0.349 nan 8.370 nan 0.000 0.540 26 K N 2.308 122.680 120.400 -0.047 0.000 2.374 26 K HA 0.161 4.481 4.320 -0.000 0.000 0.196 26 K C -0.058 176.519 176.600 -0.038 0.000 1.023 26 K CA -0.293 55.971 56.287 -0.039 0.000 1.103 26 K CB -0.261 32.221 32.500 -0.030 0.000 0.848 26 K HN 0.362 nan 8.250 nan 0.000 0.528 27 N N 2.304 120.978 118.700 -0.044 0.000 2.454 27 N HA -0.014 4.726 4.740 -0.000 0.000 0.254 27 N C -0.052 175.433 175.510 -0.041 0.000 1.228 27 N CA 0.360 53.386 53.050 -0.041 0.000 0.900 27 N CB 0.458 38.917 38.487 -0.047 0.000 1.089 27 N HN 0.068 nan 8.380 nan 0.000 0.449 28 Q N 0.313 120.094 119.800 -0.032 0.000 2.288 28 Q HA 0.349 4.688 4.340 -0.000 0.000 0.254 28 Q C -0.559 175.421 176.000 -0.033 0.000 0.932 28 Q CA -0.492 55.293 55.803 -0.030 0.000 0.902 28 Q CB 1.116 29.842 28.738 -0.020 0.000 1.203 28 Q HN 0.264 nan 8.270 nan 0.000 0.415 29 V N 3.006 122.899 119.914 -0.036 0.000 2.439 29 V HA 0.243 4.363 4.120 -0.000 0.000 0.282 29 V C -0.047 176.031 176.094 -0.027 0.000 1.039 29 V CA -0.305 61.972 62.300 -0.039 0.000 0.913 29 V CB 1.099 32.894 31.823 -0.046 0.000 0.983 29 V HN 0.764 nan 8.190 nan 0.000 0.460 30 E N 2.360 122.544 120.200 -0.027 0.000 2.359 30 E HA 0.750 5.100 4.350 -0.000 0.000 0.266 30 E C 0.144 176.727 176.600 -0.028 0.000 0.920 30 E CA -0.417 55.970 56.400 -0.021 0.000 0.788 30 E CB 2.229 31.920 29.700 -0.016 0.000 1.279 30 E HN 1.052 nan 8.360 nan 0.000 0.438 31 G N 1.210 109.996 108.800 -0.023 0.000 2.829 31 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.628 31 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.628 31 G C 0.338 175.231 174.900 -0.012 0.000 1.412 31 G CA 0.089 45.171 45.100 -0.030 0.000 0.864 31 G HN 0.665 nan 8.290 nan 0.000 0.544 32 E N -1.445 118.752 120.200 -0.005 0.000 2.431 32 E HA 0.188 4.538 4.350 -0.000 0.000 0.200 32 E C 0.913 177.533 176.600 0.033 0.000 0.995 32 E CA 0.773 57.187 56.400 0.023 0.000 0.915 32 E CB 0.541 30.264 29.700 0.038 0.000 0.930 32 E HN 0.636 nan 8.360 nan 0.000 0.496 33 V N 3.380 123.298 119.914 0.006 0.000 2.384 33 V HA 0.214 4.334 4.120 -0.000 0.000 0.287 33 V C -0.258 175.826 176.094 -0.016 0.000 1.020 33 V CA -0.748 61.559 62.300 0.011 0.000 0.850 33 V CB 1.484 33.307 31.823 -0.001 0.000 0.987 33 V HN 0.065 nan 8.190 nan 0.000 0.436 34 Q N 3.170 122.965 119.800 -0.007 0.000 2.235 34 Q HA 0.566 4.905 4.340 -0.000 0.000 0.256 34 Q C -0.632 175.330 176.000 -0.065 0.000 0.951 34 Q CA -0.697 55.079 55.803 -0.045 0.000 0.890 34 Q CB 2.527 31.230 28.738 -0.058 0.000 1.279 34 Q HN 0.516 nan 8.270 nan 0.000 0.444 35 V N 2.680 122.539 119.914 -0.092 0.000 2.385 35 V HA 0.368 4.488 4.120 -0.000 0.000 0.269 35 V C 0.412 176.392 176.094 -0.190 0.000 1.043 35 V CA -0.590 61.636 62.300 -0.123 0.000 0.906 35 V CB 0.853 32.620 31.823 -0.094 0.000 0.995 35 V HN 0.586 nan 8.190 nan 0.000 0.467 36 V N 2.180 121.905 119.914 -0.315 0.000 3.019 36 V HA 1.005 5.125 4.120 -0.000 0.000 0.317 36 V C -0.260 175.501 176.094 -0.554 0.000 1.094 36 V CA -0.514 61.529 62.300 -0.428 0.000 1.000 36 V CB 2.078 33.597 31.823 -0.506 0.000 1.060 36 V HN 0.821 nan 8.190 nan 0.000 0.443 37 S N 0.680 116.130 115.700 -0.418 0.000 2.537 37 S HA 0.798 5.268 4.470 -0.000 0.000 0.270 37 S C -0.320 174.201 174.600 -0.131 0.000 1.142 37 S CA 0.163 58.199 58.200 -0.273 0.000 0.870 37 S CB 1.977 65.091 63.200 -0.143 0.000 1.112 37 S HN 1.772 nan 8.310 nan 0.000 0.466 38 T N 0.712 115.274 114.554 0.014 0.000 2.819 38 T HA 0.766 5.116 4.350 -0.000 0.000 0.271 38 T C 1.731 176.456 174.700 0.042 0.000 0.986 38 T CA -0.062 62.074 62.100 0.061 0.000 0.989 38 T CB 0.220 69.179 68.868 0.152 0.000 1.396 38 T HN 1.081 nan 8.240 nan 0.000 0.597 39 A N 0.848 123.694 122.820 0.044 0.000 1.884 39 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 39 A C 2.270 179.879 177.584 0.042 0.000 1.197 39 A CA 2.825 54.882 52.037 0.034 0.000 0.637 39 A CB -1.720 17.300 19.000 0.033 0.000 0.827 39 A HN 1.209 nan 8.150 nan 0.000 0.450 40 T N -4.593 109.997 114.554 0.061 0.000 3.040 40 T HA 0.418 4.768 4.350 -0.000 0.000 0.266 40 T C 0.199 174.951 174.700 0.087 0.000 1.005 40 T CA 0.224 62.361 62.100 0.063 0.000 0.906 40 T CB 0.183 69.083 68.868 0.054 0.000 1.082 40 T HN 0.513 nan 8.240 nan 0.000 0.531 41 Q N 0.220 120.095 119.800 0.126 0.000 2.418 41 Q HA 0.638 4.977 4.340 -0.000 0.000 0.282 41 Q C -1.979 174.159 176.000 0.231 0.000 1.044 41 Q CA -0.619 55.299 55.803 0.191 0.000 0.813 41 Q CB 2.475 31.347 28.738 0.224 0.000 1.428 41 Q HN 0.155 nan 8.270 nan 0.000 0.402 42 S N 1.890 117.741 115.700 0.252 0.000 2.571 42 S HA 0.869 5.339 4.470 -0.000 0.000 0.284 42 S C -1.496 173.260 174.600 0.260 0.000 1.128 42 S CA -0.388 57.879 58.200 0.112 0.000 0.970 42 S CB 0.545 63.762 63.200 0.028 0.000 1.039 42 S HN 0.498 nan 8.310 nan 0.000 0.485 43 F N 1.910 121.866 119.950 0.010 0.000 3.360 43 F HA 0.732 5.259 4.527 -0.000 0.000 0.327 43 F C -1.841 173.972 175.800 0.022 0.000 1.186 43 F CA -1.301 56.712 58.000 0.021 0.000 0.903 43 F CB 0.540 39.561 39.000 0.036 0.000 1.533 43 F HN 0.388 nan 8.300 nan 0.000 0.515 44 L N 0.945 122.310 121.223 0.236 0.000 2.323 44 L HA 0.933 5.272 4.340 -0.000 0.000 0.265 44 L C -0.830 176.158 176.870 0.197 0.000 1.012 44 L CA -1.295 53.612 54.840 0.111 0.000 0.820 44 L CB 1.983 44.109 42.059 0.113 0.000 1.334 44 L HN 0.969 nan 8.230 nan 0.000 0.427 45 A N 0.399 123.301 122.820 0.136 0.000 2.422 45 A HA 0.790 5.110 4.320 -0.000 0.000 0.302 45 A C -0.869 176.823 177.584 0.179 0.000 1.041 45 A CA -0.398 51.768 52.037 0.215 0.000 0.708 45 A CB 1.794 20.926 19.000 0.220 0.000 1.257 45 A HN 0.565 nan 8.150 nan 0.000 0.414 46 T N 1.398 116.095 114.554 0.237 0.000 2.807 46 T HA 0.423 4.773 4.350 -0.000 0.000 0.279 46 T C -0.530 174.330 174.700 0.266 0.000 0.993 46 T CA -0.171 62.054 62.100 0.208 0.000 0.970 46 T CB 0.723 69.711 68.868 0.199 0.000 0.950 46 T HN 0.702 nan 8.240 nan 0.000 0.441 47 C N 3.978 123.391 119.300 0.189 0.000 2.325 47 C HA 0.701 5.161 4.460 -0.000 0.000 0.347 47 C C 0.156 175.280 174.990 0.223 0.000 1.263 47 C CA -0.651 58.478 59.018 0.185 0.000 1.806 47 C CB -0.889 26.911 27.740 0.100 0.000 2.405 47 C HN 0.662 nan 8.230 nan 0.000 0.537 48 V N 4.831 124.948 119.914 0.339 0.000 2.623 48 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 48 V C -0.239 176.041 176.094 0.311 0.000 1.054 48 V CA -0.682 61.799 62.300 0.302 0.000 0.882 48 V CB 1.735 33.735 31.823 0.294 0.000 1.002 48 V HN 0.895 nan 8.190 nan 0.000 0.424 49 N N 3.471 122.278 118.700 0.179 0.000 2.725 49 N HA -0.208 4.531 4.740 -0.000 0.000 0.251 49 N C 1.208 176.794 175.510 0.127 0.000 1.031 49 N CA 1.711 54.848 53.050 0.146 0.000 0.720 49 N CB -0.998 37.589 38.487 0.168 0.000 0.930 49 N HN 1.688 nan 8.380 nan 0.000 0.543 50 G N -2.957 105.898 108.800 0.091 0.000 2.189 50 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.267 50 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.267 50 G C 0.050 174.957 174.900 0.013 0.000 0.975 50 G CA 0.534 45.665 45.100 0.051 0.000 0.644 50 G HN 0.540 nan 8.290 nan 0.000 0.537 51 V N 0.396 120.298 119.914 -0.020 0.000 2.459 51 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 51 V C 0.726 176.622 176.094 -0.330 0.000 1.029 51 V CA -0.528 61.602 62.300 -0.284 0.000 0.874 51 V CB 1.730 33.157 31.823 -0.659 0.000 0.985 51 V HN 0.535 nan 8.190 nan 0.000 0.438 52 C N 6.662 125.833 119.300 -0.215 0.000 2.256 52 C HA 0.554 5.014 4.460 -0.000 0.000 0.333 52 C C -0.437 174.575 174.990 0.036 0.000 1.183 52 C CA -0.904 58.125 59.018 0.018 0.000 1.692 52 C CB -1.354 26.478 27.740 0.153 0.000 2.274 52 C HN 0.837 nan 8.230 nan 0.000 0.509 53 W N 4.543 125.961 121.300 0.195 0.000 2.496 53 W HA 0.621 5.281 4.660 -0.000 0.000 0.327 53 W C 0.664 177.286 176.519 0.172 0.000 1.086 53 W CA -0.180 57.245 57.345 0.133 0.000 1.222 53 W CB 1.716 31.223 29.460 0.078 0.000 1.304 53 W HN 0.676 nan 8.180 nan 0.000 0.547 54 T N 0.225 115.007 114.554 0.380 0.000 2.626 54 T HA 0.511 4.861 4.350 -0.000 0.000 0.299 54 T C -1.166 173.633 174.700 0.166 0.000 1.181 54 T CA -0.642 61.647 62.100 0.316 0.000 1.053 54 T CB 0.387 69.540 68.868 0.475 0.000 1.566 54 T HN 0.354 nan 8.240 nan 0.000 0.486 55 V N 1.672 121.608 119.914 0.036 0.000 2.567 55 V HA 0.509 4.629 4.120 -0.000 0.000 0.289 55 V C 0.990 176.988 176.094 -0.162 0.000 1.049 55 V CA -0.470 61.745 62.300 -0.143 0.000 0.969 55 V CB 0.777 32.304 31.823 -0.493 0.000 0.995 55 V HN 0.913 nan 8.190 nan 0.000 0.471 56 Y N 3.911 124.121 120.300 -0.149 0.000 2.224 56 Y HA -0.194 4.356 4.550 -0.000 0.000 0.289 56 Y C 2.546 178.375 175.900 -0.117 0.000 1.146 56 Y CA 2.403 60.443 58.100 -0.100 0.000 1.182 56 Y CB -0.303 38.132 38.460 -0.041 0.000 0.983 56 Y HN 0.930 nan 8.280 nan 0.000 0.524 57 H N -2.546 116.446 119.070 -0.130 0.000 2.491 57 H HA 0.046 4.602 4.556 -0.000 0.000 0.290 57 H C 2.001 177.122 175.328 -0.344 0.000 1.050 57 H CA 1.147 57.063 56.048 -0.220 0.000 1.309 57 H CB -0.485 29.204 29.762 -0.122 0.000 1.392 57 H HN 0.439 nan 8.280 nan 0.000 0.554 58 G N 0.431 108.772 108.800 -0.764 0.000 2.497 58 G HA2 0.113 4.072 3.960 -0.000 0.000 0.210 58 G HA3 0.113 4.072 3.960 -0.000 0.000 0.210 58 G C 1.816 176.413 174.900 -0.506 0.000 1.177 58 G CA 0.574 45.083 45.100 -0.984 0.000 0.822 58 G HN 0.545 nan 8.290 nan 0.000 0.550 59 A N -0.151 122.518 122.820 -0.251 0.000 2.081 59 A HA 0.502 4.822 4.320 -0.000 0.000 0.214 59 A C 1.940 179.501 177.584 -0.038 0.000 1.158 59 A CA 1.447 53.578 52.037 0.157 0.000 0.724 59 A CB -0.699 18.553 19.000 0.420 0.000 0.826 59 A HN 1.642 nan 8.150 nan 0.000 0.463 60 G N -0.557 108.005 108.800 -0.396 0.000 2.596 60 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.295 60 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.295 60 G C 0.773 175.578 174.900 -0.158 0.000 1.240 60 G CA 0.461 45.181 45.100 -0.635 0.000 0.985 60 G HN 0.753 nan 8.290 nan 0.000 0.555 61 S N 1.112 116.830 115.700 0.030 0.000 2.582 61 S HA 0.235 4.704 4.470 -0.000 0.000 0.234 61 S C 0.891 175.564 174.600 0.123 0.000 0.961 61 S CA 0.269 58.546 58.200 0.129 0.000 0.953 61 S CB 0.028 63.310 63.200 0.137 0.000 0.800 61 S HN 0.526 nan 8.310 nan 0.000 0.471 62 K N 2.857 123.353 120.400 0.161 0.000 2.414 62 K HA 0.113 4.433 4.320 -0.000 0.000 0.272 62 K C 0.775 177.596 176.600 0.369 0.000 0.993 62 K CA 0.053 56.467 56.287 0.211 0.000 0.964 62 K CB 0.335 32.954 32.500 0.199 0.000 0.925 62 K HN 0.281 nan 8.250 nan 0.000 0.487 63 T N -0.276 114.425 114.554 0.244 0.000 2.860 63 T HA 0.247 4.597 4.350 -0.000 0.000 0.299 63 T C -0.150 174.576 174.700 0.043 0.000 1.045 63 T CA -0.936 61.314 62.100 0.249 0.000 1.071 63 T CB 0.646 69.568 68.868 0.089 0.000 0.985 63 T HN 0.307 nan 8.240 nan 0.000 0.537 64 L N 2.034 123.060 121.223 -0.329 0.000 2.282 64 L HA 0.669 5.008 4.340 -0.000 0.000 0.288 64 L C 0.313 176.958 176.870 -0.375 0.000 1.033 64 L CA -0.630 53.774 54.840 -0.727 0.000 0.807 64 L CB 0.461 41.600 42.059 -1.533 0.000 1.209 64 L HN 0.997 nan 8.230 nan 0.000 0.423 65 A N 3.819 126.467 122.820 -0.287 0.000 2.524 65 A HA 0.560 4.880 4.320 -0.000 0.000 0.250 65 A C 0.435 177.911 177.584 -0.180 0.000 1.078 65 A CA 0.573 52.500 52.037 -0.183 0.000 0.761 65 A CB -0.634 18.279 19.000 -0.145 0.000 1.012 65 A HN 0.988 nan 8.150 nan 0.000 0.500 66 G N 1.533 110.255 108.800 -0.129 0.000 2.658 66 G HA2 0.633 4.593 3.960 -0.000 0.000 0.292 66 G HA3 0.633 4.593 3.960 -0.000 0.000 0.292 66 G C -1.926 172.929 174.900 -0.076 0.000 1.320 66 G CA -1.060 43.973 45.100 -0.110 0.000 0.933 66 G HN 0.337 nan 8.290 nan 0.000 0.476 67 P HA -0.089 nan 4.420 nan 0.000 0.217 67 P C 0.689 177.965 177.300 -0.040 0.000 1.148 67 P CA 1.308 64.379 63.100 -0.048 0.000 0.828 67 P CB 0.341 32.016 31.700 -0.042 0.000 0.783 68 K N -0.573 119.804 120.400 -0.039 0.000 2.618 68 K HA 0.458 4.778 4.320 -0.000 0.000 0.207 68 K C 0.587 177.168 176.600 -0.032 0.000 1.058 68 K CA 0.065 56.333 56.287 -0.032 0.000 1.086 68 K CB 0.967 33.451 32.500 -0.026 0.000 0.827 68 K HN 0.152 nan 8.250 nan 0.000 0.481 69 G N 1.912 110.688 108.800 -0.040 0.000 2.408 69 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.682 69 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.682 69 G C -3.176 171.694 174.900 -0.049 0.000 1.303 69 G CA -1.355 43.722 45.100 -0.039 0.000 0.966 69 G HN -0.154 nan 8.290 nan 0.000 0.560 70 P HA 0.376 nan 4.420 nan 0.000 0.263 70 P C 0.023 177.305 177.300 -0.031 0.000 1.195 70 P CA 0.124 63.196 63.100 -0.046 0.000 0.762 70 P CB 0.328 32.015 31.700 -0.022 0.000 0.799 71 I N 2.685 123.227 120.570 -0.046 0.000 2.325 71 I HA 0.129 4.298 4.170 -0.000 0.000 0.291 71 I C 0.830 177.030 176.117 0.138 0.000 1.019 71 I CA -0.250 61.057 61.300 0.012 0.000 1.302 71 I CB 0.757 38.744 38.000 -0.021 0.000 1.401 71 I HN 0.177 nan 8.210 nan 0.000 0.485 72 T N 6.217 120.838 114.554 0.111 0.000 2.901 72 T HA 0.065 4.415 4.350 -0.000 0.000 0.301 72 T C 0.217 175.008 174.700 0.151 0.000 1.012 72 T CA -0.359 61.812 62.100 0.118 0.000 1.135 72 T CB 0.329 69.209 68.868 0.020 0.000 0.936 72 T HN 0.500 nan 8.240 nan 0.000 0.539 73 Q N 2.487 122.340 119.800 0.087 0.000 2.315 73 Q HA 0.037 4.377 4.340 -0.000 0.000 0.289 73 Q C 1.148 177.015 176.000 -0.222 0.000 1.044 73 Q CA 0.138 55.816 55.803 -0.209 0.000 0.920 73 Q CB 0.469 29.011 28.738 -0.327 0.000 1.214 73 Q HN 0.669 nan 8.270 nan 0.000 0.392 74 M N 2.475 121.867 119.600 -0.347 0.000 2.435 74 M HA 0.026 4.506 4.480 -0.000 0.000 0.265 74 M C -0.819 175.004 176.300 -0.794 0.000 1.104 74 M CA 0.998 55.956 55.300 -0.569 0.000 1.140 74 M CB 0.696 32.866 32.600 -0.716 0.000 1.372 74 M HN 0.567 nan 8.290 nan 0.000 0.456 75 Y N -0.896 119.299 120.300 -0.175 0.000 2.457 75 Y HA 0.426 4.976 4.550 -0.000 0.000 0.343 75 Y C -0.779 175.066 175.900 -0.092 0.000 0.994 75 Y CA -1.149 56.905 58.100 -0.077 0.000 1.031 75 Y CB 1.946 40.428 38.460 0.036 0.000 1.246 75 Y HN -0.235 nan 8.280 nan 0.000 0.449 76 T N 2.601 117.213 114.554 0.097 0.000 3.066 76 T HA 0.214 4.563 4.350 -0.000 0.000 0.318 76 T C -1.171 173.519 174.700 -0.016 0.000 0.979 76 T CA -0.854 61.254 62.100 0.014 0.000 1.025 76 T CB 0.479 69.328 68.868 -0.033 0.000 1.002 76 T HN 0.499 nan 8.240 nan 0.000 0.453 77 N N 3.415 122.100 118.700 -0.025 0.000 2.851 77 N HA 0.206 4.946 4.740 -0.000 0.000 0.248 77 N C 1.060 176.475 175.510 -0.158 0.000 1.221 77 N CA -0.423 52.585 53.050 -0.069 0.000 0.847 77 N CB 0.875 39.353 38.487 -0.016 0.000 1.150 77 N HN 0.284 nan 8.380 nan 0.000 0.507 78 V N 1.532 121.256 119.914 -0.318 0.000 2.392 78 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 78 V C 1.500 177.480 176.094 -0.190 0.000 1.059 78 V CA 1.636 63.675 62.300 -0.435 0.000 1.051 78 V CB -0.210 31.262 31.823 -0.585 0.000 0.658 78 V HN 0.520 nan 8.190 nan 0.000 0.455 79 D N -0.215 120.101 120.400 -0.140 0.000 2.123 79 D HA -0.162 4.477 4.640 -0.000 0.000 0.196 79 D C 2.162 178.418 176.300 -0.073 0.000 0.992 79 D CA 1.204 55.151 54.000 -0.089 0.000 0.833 79 D CB -0.173 40.581 40.800 -0.078 0.000 0.954 79 D HN 0.458 nan 8.370 nan 0.000 0.455 80 Q N 0.182 119.937 119.800 -0.074 0.000 2.319 80 Q HA 0.007 4.346 4.340 -0.000 0.000 0.202 80 Q C -0.205 175.772 176.000 -0.038 0.000 0.896 80 Q CA 0.055 55.817 55.803 -0.068 0.000 0.942 80 Q CB 0.579 29.266 28.738 -0.085 0.000 1.083 80 Q HN 0.160 nan 8.270 nan 0.000 0.510 81 D N 0.282 120.676 120.400 -0.010 0.000 2.716 81 D HA -0.186 4.454 4.640 -0.000 0.000 0.239 81 D C -1.429 174.915 176.300 0.073 0.000 1.125 81 D CA 0.325 54.368 54.000 0.072 0.000 0.681 81 D CB -1.096 39.761 40.800 0.095 0.000 1.070 81 D HN 0.186 nan 8.370 nan 0.000 0.432 82 L N 0.263 121.525 121.223 0.065 0.000 2.436 82 L HA 0.760 5.100 4.340 -0.000 0.000 0.268 82 L C -1.008 175.952 176.870 0.151 0.000 0.974 82 L CA -0.783 54.114 54.840 0.095 0.000 0.826 82 L CB 2.108 44.178 42.059 0.019 0.000 1.291 82 L HN 0.104 nan 8.230 nan 0.000 0.406 83 V N 1.087 121.102 119.914 0.168 0.000 3.078 83 V HA 1.103 5.223 4.120 -0.000 0.000 0.311 83 V C -0.485 175.569 176.094 -0.066 0.000 1.138 83 V CA 0.065 62.372 62.300 0.012 0.000 1.007 83 V CB 1.666 33.365 31.823 -0.206 0.000 1.045 83 V HN 1.058 nan 8.190 nan 0.000 0.432 84 G N 1.888 110.472 108.800 -0.360 0.000 2.719 84 G HA2 0.628 4.588 3.960 -0.000 0.000 0.298 84 G HA3 0.628 4.588 3.960 -0.000 0.000 0.298 84 G C -1.584 172.965 174.900 -0.586 0.000 1.411 84 G CA -0.598 44.134 45.100 -0.613 0.000 0.991 84 G HN 0.769 nan 8.290 nan 0.000 0.509 85 W N 0.682 121.844 121.300 -0.230 0.000 2.706 85 W HA 0.436 5.096 4.660 -0.000 0.000 0.346 85 W C 0.028 176.421 176.519 -0.209 0.000 1.071 85 W CA -0.993 56.243 57.345 -0.182 0.000 1.206 85 W CB 1.994 31.386 29.460 -0.114 0.000 1.413 85 W HN 0.501 nan 8.180 nan 0.000 0.542 86 Q N 1.816 121.650 119.800 0.058 0.000 2.247 86 Q HA 0.261 4.601 4.340 -0.000 0.000 0.288 86 Q C 0.058 176.071 176.000 0.020 0.000 1.079 86 Q CA 0.277 56.081 55.803 0.001 0.000 0.932 86 Q CB 0.664 29.395 28.738 -0.011 0.000 1.133 86 Q HN 0.390 nan 8.270 nan 0.000 0.377 87 A N 7.272 130.091 122.820 -0.002 0.000 2.548 87 A HA 0.288 4.607 4.320 -0.000 0.000 0.247 87 A C -1.958 175.621 177.584 -0.009 0.000 1.067 87 A CA -1.008 51.030 52.037 0.001 0.000 0.757 87 A CB -0.533 18.470 19.000 0.005 0.000 0.996 87 A HN 0.752 nan 8.150 nan 0.000 0.504 88 P HA 0.201 nan 4.420 nan 0.000 0.270 88 P C -2.621 174.665 177.300 -0.023 0.000 1.223 88 P CA -1.084 61.995 63.100 -0.035 0.000 0.785 88 P CB -0.340 31.324 31.700 -0.059 0.000 0.923 89 P HA 0.062 nan 4.420 nan 0.000 0.271 89 P C 0.860 178.151 177.300 -0.016 0.000 1.218 89 P CA 0.735 63.827 63.100 -0.015 0.000 0.780 89 P CB 0.271 31.962 31.700 -0.014 0.000 0.901 90 G N 1.149 109.943 108.800 -0.010 0.000 2.258 90 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.233 90 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.233 90 G C 0.347 175.242 174.900 -0.008 0.000 1.006 90 G CA 0.089 45.183 45.100 -0.010 0.000 0.620 90 G HN 0.886 nan 8.290 nan 0.000 0.511 91 A N 0.727 123.542 122.820 -0.008 0.000 2.401 91 A HA 0.721 5.041 4.320 -0.000 0.000 0.259 91 A C 0.583 178.172 177.584 0.009 0.000 1.103 91 A CA 0.535 52.571 52.037 -0.002 0.000 0.789 91 A CB 0.409 19.407 19.000 -0.003 0.000 1.035 91 A HN 0.668 nan 8.150 nan 0.000 0.491 92 R N 1.832 122.340 120.500 0.013 0.000 2.668 92 R HA 0.569 4.909 4.340 -0.000 0.000 0.279 92 R C -0.586 175.735 176.300 0.036 0.000 0.976 92 R CA -0.341 55.772 56.100 0.022 0.000 0.978 92 R CB 1.269 31.580 30.300 0.018 0.000 1.133 92 R HN 0.732 nan 8.270 nan 0.000 0.484 93 S N 2.458 118.185 115.700 0.045 0.000 2.651 93 S HA 0.449 4.919 4.470 -0.000 0.000 0.291 93 S C -0.248 174.388 174.600 0.061 0.000 1.141 93 S CA -0.735 57.504 58.200 0.065 0.000 1.027 93 S CB 1.089 64.333 63.200 0.074 0.000 1.043 93 S HN 0.395 nan 8.310 nan 0.000 0.530 94 L N 1.893 123.162 121.223 0.076 0.000 2.421 94 L HA 0.441 4.781 4.340 -0.000 0.000 0.263 94 L C 0.923 177.818 176.870 0.042 0.000 1.122 94 L CA -0.631 54.250 54.840 0.068 0.000 0.804 94 L CB 0.742 42.851 42.059 0.084 0.000 1.150 94 L HN 0.669 nan 8.230 nan 0.000 0.457 95 T N -0.585 113.965 114.554 -0.007 0.000 2.837 95 T HA 0.457 4.807 4.350 -0.000 0.000 0.285 95 T C -2.544 172.084 174.700 -0.121 0.000 0.984 95 T CA -2.117 59.923 62.100 -0.099 0.000 1.049 95 T CB 1.405 70.138 68.868 -0.223 0.000 0.947 95 T HN 0.208 nan 8.240 nan 0.000 0.472 96 P HA 0.137 nan 4.420 nan 0.000 0.265 96 P C 0.239 177.504 177.300 -0.059 0.000 1.193 96 P CA -0.619 62.456 63.100 -0.043 0.000 0.765 96 P CB 0.146 31.825 31.700 -0.034 0.000 0.823 97 C N 3.591 122.918 119.300 0.045 0.000 2.644 97 C HA 0.305 4.765 4.460 -0.000 0.000 0.417 97 C C 1.628 176.669 174.990 0.084 0.000 1.304 97 C CA 0.930 60.029 59.018 0.137 0.000 2.035 97 C CB -0.899 26.931 27.740 0.151 0.000 2.673 97 C HN 0.803 nan 8.230 nan 0.000 0.602 98 T N 0.414 115.040 114.554 0.119 0.000 3.016 98 T HA 0.015 4.365 4.350 -0.000 0.000 0.271 98 T C 1.262 176.007 174.700 0.076 0.000 0.968 98 T CA 0.619 62.762 62.100 0.072 0.000 0.891 98 T CB -0.910 67.986 68.868 0.047 0.000 1.149 98 T HN 1.000 nan 8.240 nan 0.000 0.524 99 C N 1.336 120.696 119.300 0.100 0.000 2.481 99 C HA 0.606 5.065 4.460 -0.000 0.000 0.275 99 C C 2.393 177.410 174.990 0.045 0.000 1.419 99 C CA -0.095 58.963 59.018 0.067 0.000 1.773 99 C CB -1.535 26.239 27.740 0.057 0.000 1.862 99 C HN 0.949 nan 8.230 nan 0.000 0.530 100 G N 1.042 109.870 108.800 0.047 0.000 2.153 100 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.252 100 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.252 100 G C 0.196 175.113 174.900 0.029 0.000 0.994 100 G CA 0.620 45.741 45.100 0.036 0.000 0.698 100 G HN 1.011 nan 8.290 nan 0.000 0.521 101 S N -0.309 115.407 115.700 0.027 0.000 2.572 101 S HA 0.540 5.010 4.470 -0.000 0.000 0.279 101 S C 1.664 176.267 174.600 0.005 0.000 1.341 101 S CA 0.852 59.061 58.200 0.016 0.000 1.043 101 S CB 0.889 64.099 63.200 0.017 0.000 0.887 101 S HN 1.424 nan 8.310 nan 0.000 0.516 102 S N 1.770 117.466 115.700 -0.007 0.000 2.540 102 S HA 0.231 4.701 4.470 -0.000 0.000 0.222 102 S C -0.416 174.144 174.600 -0.066 0.000 1.008 102 S CA -0.456 57.733 58.200 -0.020 0.000 0.939 102 S CB -0.053 63.143 63.200 -0.006 0.000 0.865 102 S HN 0.657 nan 8.310 nan 0.000 0.499 103 D N 2.665 123.020 120.400 -0.075 0.000 2.352 103 D HA 0.470 5.110 4.640 -0.000 0.000 0.245 103 D C -0.249 175.891 176.300 -0.268 0.000 1.224 103 D CA 0.168 54.067 54.000 -0.168 0.000 0.879 103 D CB 0.744 41.496 40.800 -0.080 0.000 1.057 103 D HN 0.387 nan 8.370 nan 0.000 0.491 104 L N 1.717 122.683 121.223 -0.428 0.000 2.286 104 L HA 0.563 4.903 4.340 -0.000 0.000 0.265 104 L C -0.820 175.597 176.870 -0.754 0.000 1.012 104 L CA -1.164 53.437 54.840 -0.399 0.000 0.818 104 L CB 1.205 43.108 42.059 -0.260 0.000 1.337 104 L HN 0.223 nan 8.230 nan 0.000 0.438 105 Y N 1.100 121.355 120.300 -0.074 0.000 2.332 105 Y HA 0.413 4.963 4.550 -0.000 0.000 0.325 105 Y C -0.571 175.287 175.900 -0.070 0.000 1.054 105 Y CA -0.598 57.468 58.100 -0.057 0.000 1.119 105 Y CB 1.947 40.383 38.460 -0.041 0.000 1.168 105 Y HN 0.269 nan 8.280 nan 0.000 0.439 106 L N 4.447 125.684 121.223 0.025 0.000 2.292 106 L HA 0.728 5.067 4.340 -0.000 0.000 0.284 106 L C -1.059 175.808 176.870 -0.005 0.000 1.065 106 L CA -0.433 54.389 54.840 -0.030 0.000 0.806 106 L CB 0.957 42.952 42.059 -0.106 0.000 1.175 106 L HN 0.399 nan 8.230 nan 0.000 0.431 107 V N 4.668 124.572 119.914 -0.015 0.000 2.370 107 V HA 0.459 4.579 4.120 -0.000 0.000 0.279 107 V C 0.660 176.717 176.094 -0.061 0.000 1.029 107 V CA -0.101 62.190 62.300 -0.015 0.000 0.870 107 V CB 1.083 32.904 31.823 -0.003 0.000 0.984 107 V HN 0.986 nan 8.190 nan 0.000 0.451 108 T N 2.366 116.872 114.554 -0.080 0.000 2.862 108 T HA 0.352 4.702 4.350 -0.000 0.000 0.276 108 T C 1.082 175.694 174.700 -0.148 0.000 0.974 108 T CA -0.420 61.588 62.100 -0.153 0.000 0.966 108 T CB 0.955 69.691 68.868 -0.221 0.000 1.072 108 T HN 0.714 nan 8.240 nan 0.000 0.538 109 R N -0.589 119.764 120.500 -0.245 0.000 2.316 109 R HA 0.056 4.396 4.340 -0.000 0.000 0.202 109 R C 0.923 177.039 176.300 -0.306 0.000 1.029 109 R CA 1.008 56.945 56.100 -0.271 0.000 1.018 109 R CB -0.470 29.631 30.300 -0.333 0.000 0.888 109 R HN 0.657 nan 8.270 nan 0.000 0.471 110 H N 0.223 119.242 119.070 -0.085 0.000 2.505 110 H HA 0.406 4.962 4.556 -0.000 0.000 0.286 110 H C 0.638 175.947 175.328 -0.032 0.000 1.072 110 H CA -0.059 55.951 56.048 -0.063 0.000 1.141 110 H CB 1.071 30.774 29.762 -0.099 0.000 1.550 110 H HN 0.375 nan 8.280 nan 0.000 0.547 111 A N 0.640 123.484 122.820 0.040 0.000 2.887 111 A HA -0.205 4.115 4.320 -0.000 0.000 0.257 111 A C -0.124 177.494 177.584 0.056 0.000 1.372 111 A CA 0.851 52.909 52.037 0.035 0.000 0.879 111 A CB -1.812 17.222 19.000 0.056 0.000 1.082 111 A HN 0.321 nan 8.150 nan 0.000 0.703 112 D N -0.573 119.864 120.400 0.061 0.000 2.341 112 D HA 0.465 5.105 4.640 -0.000 0.000 0.245 112 D C 0.139 176.484 176.300 0.075 0.000 1.106 112 D CA 0.246 54.302 54.000 0.093 0.000 0.905 112 D CB 1.353 42.252 40.800 0.166 0.000 1.202 112 D HN 0.293 nan 8.370 nan 0.000 0.426 113 V N 3.470 123.438 119.914 0.089 0.000 2.350 113 V HA 0.253 4.373 4.120 -0.000 0.000 0.285 113 V C -0.187 175.988 176.094 0.136 0.000 1.014 113 V CA -0.749 61.606 62.300 0.093 0.000 0.831 113 V CB 1.259 33.117 31.823 0.059 0.000 1.000 113 V HN 0.319 nan 8.190 nan 0.000 0.433 114 I N 6.855 127.505 120.570 0.132 0.000 2.362 114 I HA 0.443 4.613 4.170 -0.000 0.000 0.289 114 I C -2.512 173.646 176.117 0.069 0.000 0.994 114 I CA -3.063 58.298 61.300 0.102 0.000 1.158 114 I CB 1.812 39.858 38.000 0.075 0.000 1.315 114 I HN 0.346 nan 8.210 nan 0.000 0.451 115 P HA 0.166 nan 4.420 nan 0.000 0.267 115 P C -0.605 176.596 177.300 -0.166 0.000 1.209 115 P CA 0.108 63.133 63.100 -0.124 0.000 0.763 115 P CB 0.679 32.360 31.700 -0.032 0.000 0.816 116 V N 4.644 124.390 119.914 -0.280 0.000 2.638 116 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 116 V C 0.049 176.031 176.094 -0.187 0.000 1.052 116 V CA -0.790 61.406 62.300 -0.173 0.000 0.885 116 V CB 2.296 34.038 31.823 -0.135 0.000 0.999 116 V HN 0.321 nan 8.190 nan 0.000 0.424 117 R N 3.678 124.118 120.500 -0.100 0.000 2.207 117 R HA 0.428 4.767 4.340 -0.000 0.000 0.334 117 R C -0.047 176.241 176.300 -0.020 0.000 1.013 117 R CA -0.419 55.638 56.100 -0.073 0.000 0.858 117 R CB 0.485 30.757 30.300 -0.048 0.000 1.094 117 R HN 0.748 nan 8.270 nan 0.000 0.457 118 R N 3.070 123.562 120.500 -0.013 0.000 2.570 118 R HA 0.045 4.384 4.340 -0.000 0.000 0.277 118 R C 0.079 176.416 176.300 0.062 0.000 1.039 118 R CA 0.316 56.453 56.100 0.060 0.000 1.065 118 R CB 0.554 30.893 30.300 0.065 0.000 0.964 118 R HN 0.637 nan 8.270 nan 0.000 0.428 119 R N 2.253 122.807 120.500 0.090 0.000 2.350 119 R HA 0.241 4.581 4.340 -0.000 0.000 0.199 119 R C 0.563 176.887 176.300 0.039 0.000 0.876 119 R CA 0.740 56.871 56.100 0.051 0.000 1.062 119 R CB 0.695 31.020 30.300 0.042 0.000 1.263 119 R HN 0.759 nan 8.270 nan 0.000 0.641 120 G N -0.164 108.663 108.800 0.044 0.000 3.222 120 G HA2 0.223 4.183 3.960 -0.000 0.000 0.263 120 G HA3 0.223 4.183 3.960 -0.000 0.000 0.263 120 G C -0.322 174.576 174.900 -0.002 0.000 1.312 120 G CA -0.278 44.822 45.100 -0.001 0.000 0.934 120 G HN -0.181 nan 8.290 nan 0.000 0.577 121 D N -0.364 119.997 120.400 -0.065 0.000 2.224 121 D HA -0.042 4.598 4.640 -0.000 0.000 0.205 121 D C 2.307 178.416 176.300 -0.318 0.000 0.965 121 D CA 1.830 55.777 54.000 -0.089 0.000 0.852 121 D CB 0.323 41.067 40.800 -0.094 0.000 0.947 121 D HN 0.332 nan 8.370 nan 0.000 0.494 122 S N -1.195 114.214 115.700 -0.486 0.000 2.780 122 S HA 0.249 4.719 4.470 -0.000 0.000 0.248 122 S C 0.598 174.651 174.600 -0.912 0.000 1.036 122 S CA -0.599 57.007 58.200 -0.991 0.000 1.061 122 S CB 1.152 64.035 63.200 -0.528 0.000 1.037 122 S HN -0.138 nan 8.310 nan 0.000 0.584 123 R N 0.584 120.881 120.500 -0.338 0.000 2.744 123 R HA 0.783 5.123 4.340 -0.000 0.000 0.279 123 R C -0.488 175.984 176.300 0.287 0.000 0.977 123 R CA -0.207 55.909 56.100 0.028 0.000 0.906 123 R CB 1.729 32.023 30.300 -0.009 0.000 1.197 123 R HN 0.320 nan 8.270 nan 0.000 0.463 124 G N 0.127 109.101 108.800 0.289 0.000 2.719 124 G HA2 0.374 4.334 3.960 -0.000 0.000 0.298 124 G HA3 0.374 4.334 3.960 -0.000 0.000 0.298 124 G C -0.990 173.976 174.900 0.110 0.000 1.411 124 G CA -0.481 44.733 45.100 0.190 0.000 0.991 124 G HN 0.495 nan 8.290 nan 0.000 0.509 125 S N 1.272 117.005 115.700 0.054 0.000 2.554 125 S HA 0.642 5.112 4.470 -0.000 0.000 0.278 125 S C 0.138 174.744 174.600 0.010 0.000 1.242 125 S CA -0.766 57.453 58.200 0.032 0.000 1.051 125 S CB 1.400 64.609 63.200 0.014 0.000 0.986 125 S HN 0.542 nan 8.310 nan 0.000 0.502 126 L N 3.096 124.326 121.223 0.012 0.000 2.367 126 L HA 0.178 4.518 4.340 -0.000 0.000 0.275 126 L C 0.888 177.745 176.870 -0.022 0.000 1.129 126 L CA -0.747 54.089 54.840 -0.008 0.000 0.839 126 L CB 0.581 42.640 42.059 -0.000 0.000 1.133 126 L HN 0.681 nan 8.230 nan 0.000 0.453 127 L N 1.997 123.199 121.223 -0.035 0.000 2.093 127 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 127 L C 0.860 177.712 176.870 -0.031 0.000 1.085 127 L CA 1.374 56.194 54.840 -0.033 0.000 0.755 127 L CB -0.251 41.786 42.059 -0.036 0.000 0.904 127 L HN 0.521 nan 8.230 nan 0.000 0.435 128 S N -0.319 115.358 115.700 -0.039 0.000 2.667 128 S HA 0.426 4.895 4.470 -0.000 0.000 0.304 128 S C -2.383 172.180 174.600 -0.061 0.000 1.135 128 S CA -1.177 56.992 58.200 -0.051 0.000 1.125 128 S CB 1.272 64.433 63.200 -0.065 0.000 0.996 128 S HN -0.097 nan 8.310 nan 0.000 0.474 129 P HA 0.172 nan 4.420 nan 0.000 0.265 129 P C -0.326 176.935 177.300 -0.066 0.000 1.187 129 P CA -0.052 63.024 63.100 -0.039 0.000 0.766 129 P CB 0.493 32.178 31.700 -0.026 0.000 0.820 130 R N 3.050 123.515 120.500 -0.057 0.000 2.795 130 R HA 0.474 4.814 4.340 -0.000 0.000 0.275 130 R C -2.698 173.602 176.300 -0.000 0.000 0.981 130 R CA -2.537 53.508 56.100 -0.090 0.000 0.917 130 R CB 0.829 31.002 30.300 -0.211 0.000 1.202 130 R HN 0.274 nan 8.270 nan 0.000 0.469 131 P HA -0.064 nan 4.420 nan 0.000 0.265 131 P C 1.079 178.450 177.300 0.119 0.000 1.193 131 P CA 0.018 63.156 63.100 0.063 0.000 0.765 131 P CB 0.797 32.537 31.700 0.067 0.000 0.823 132 V N 3.294 123.272 119.914 0.107 0.000 2.546 132 V HA -0.286 3.834 4.120 -0.000 0.000 0.254 132 V C 2.288 178.478 176.094 0.160 0.000 1.076 132 V CA 2.964 65.346 62.300 0.136 0.000 1.087 132 V CB -1.141 30.749 31.823 0.111 0.000 0.674 132 V HN 0.760 nan 8.190 nan 0.000 0.470 133 S N -1.375 114.413 115.700 0.146 0.000 2.442 133 S HA -0.278 4.192 4.470 -0.000 0.000 0.236 133 S C 1.903 176.606 174.600 0.173 0.000 1.007 133 S CA 1.593 59.878 58.200 0.141 0.000 0.965 133 S CB -0.915 62.355 63.200 0.117 0.000 0.773 133 S HN 0.788 nan 8.310 nan 0.000 0.504 134 Y N 2.008 122.351 120.300 0.072 0.000 2.333 134 Y HA 0.095 4.645 4.550 -0.000 0.000 0.290 134 Y C 1.666 177.605 175.900 0.066 0.000 1.144 134 Y CA 1.305 59.449 58.100 0.073 0.000 1.228 134 Y CB -0.152 38.337 38.460 0.047 0.000 0.985 134 Y HN 0.246 nan 8.280 nan 0.000 0.542 135 L N 0.999 122.293 121.223 0.118 0.000 2.592 135 L HA 0.062 4.402 4.340 -0.000 0.000 0.227 135 L C 0.468 177.381 176.870 0.070 0.000 1.127 135 L CA -0.237 54.618 54.840 0.024 0.000 0.884 135 L CB -0.346 41.786 42.059 0.122 0.000 1.065 135 L HN 0.044 nan 8.230 nan 0.000 0.457 136 K N 0.451 120.894 120.400 0.072 0.000 2.401 136 K HA 0.348 4.668 4.320 -0.000 0.000 0.278 136 K C 1.053 177.685 176.600 0.053 0.000 1.018 136 K CA 0.595 56.941 56.287 0.099 0.000 0.981 136 K CB 0.596 33.154 32.500 0.097 0.000 0.933 136 K HN 0.093 nan 8.250 nan 0.000 0.477 137 G N 1.870 110.740 108.800 0.116 0.000 2.159 137 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.256 137 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.256 137 G C 0.672 175.640 174.900 0.113 0.000 0.977 137 G CA 0.406 45.576 45.100 0.116 0.000 0.652 137 G HN 0.586 nan 8.290 nan 0.000 0.531 138 S N 0.176 115.959 115.700 0.139 0.000 2.575 138 S HA 0.319 4.788 4.470 -0.000 0.000 0.215 138 S C 1.430 176.269 174.600 0.398 0.000 0.966 138 S CA 0.612 58.889 58.200 0.129 0.000 0.911 138 S CB 0.196 63.335 63.200 -0.101 0.000 0.780 138 S HN 1.428 nan 8.310 nan 0.000 0.514 139 S N 0.902 116.882 115.700 0.466 0.000 2.549 139 S HA 0.468 4.938 4.470 -0.000 0.000 0.286 139 S C 1.324 176.116 174.600 0.320 0.000 1.314 139 S CA 0.312 58.749 58.200 0.396 0.000 1.062 139 S CB 0.756 64.050 63.200 0.156 0.000 0.865 139 S HN 0.644 nan 8.310 nan 0.000 0.498 140 G N 2.179 111.150 108.800 0.285 0.000 2.234 140 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.235 140 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.235 140 G C 0.523 175.567 174.900 0.240 0.000 0.997 140 G CA -0.114 45.148 45.100 0.270 0.000 0.623 140 G HN 1.475 nan 8.290 nan 0.000 0.514 141 G N 1.368 110.313 108.800 0.242 0.000 2.491 141 G HA2 0.543 4.502 3.960 -0.000 0.000 0.242 141 G HA3 0.543 4.502 3.960 -0.000 0.000 0.242 141 G C -1.850 173.138 174.900 0.147 0.000 1.266 141 G CA -0.124 45.069 45.100 0.154 0.000 0.844 141 G HN 0.339 nan 8.290 nan 0.000 0.571 142 P HA 0.217 nan 4.420 nan 0.000 0.284 142 P C -0.524 176.785 177.300 0.014 0.000 1.253 142 P CA -0.518 62.620 63.100 0.062 0.000 0.800 142 P CB 1.658 33.392 31.700 0.056 0.000 0.961 143 L N 4.250 125.444 121.223 -0.049 0.000 2.260 143 L HA 0.384 4.724 4.340 -0.000 0.000 0.289 143 L C 0.498 177.320 176.870 -0.079 0.000 1.057 143 L CA -0.304 54.452 54.840 -0.140 0.000 0.811 143 L CB 0.272 42.077 42.059 -0.424 0.000 1.184 143 L HN 0.339 nan 8.230 nan 0.000 0.429 144 L N 3.337 124.562 121.223 0.003 0.000 2.331 144 L HA 0.532 4.872 4.340 -0.000 0.000 0.275 144 L C 0.578 177.506 176.870 0.097 0.000 1.022 144 L CA -0.757 54.118 54.840 0.058 0.000 0.812 144 L CB 1.929 44.036 42.059 0.080 0.000 1.257 144 L HN 0.674 nan 8.230 nan 0.000 0.435 145 C N 0.094 119.439 119.300 0.075 0.000 2.470 145 C HA 0.418 4.878 4.460 -0.000 0.000 0.350 145 C C -1.216 173.841 174.990 0.111 0.000 1.341 145 C CA -1.190 57.875 59.018 0.078 0.000 2.440 145 C CB 0.608 28.363 27.740 0.026 0.000 2.295 145 C HN 0.671 nan 8.230 nan 0.000 0.645 146 P HA -0.016 nan 4.420 nan 0.000 0.225 146 P C 1.435 178.689 177.300 -0.077 0.000 1.148 146 P CA 1.387 64.530 63.100 0.073 0.000 0.779 146 P CB -0.089 31.668 31.700 0.095 0.000 0.780 147 S N -1.618 113.988 115.700 -0.158 0.000 2.562 147 S HA 0.237 4.706 4.470 -0.000 0.000 0.221 147 S C 1.593 176.019 174.600 -0.291 0.000 0.975 147 S CA 0.781 58.802 58.200 -0.299 0.000 0.918 147 S CB -0.753 62.104 63.200 -0.571 0.000 0.772 147 S HN 0.333 nan 8.310 nan 0.000 0.531 148 G N 1.358 110.062 108.800 -0.159 0.000 2.132 148 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.234 148 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.234 148 G C -0.190 174.761 174.900 0.084 0.000 0.989 148 G CA -0.185 44.891 45.100 -0.040 0.000 0.676 148 G HN 0.639 nan 8.290 nan 0.000 0.522 149 H N 0.246 119.329 119.070 0.022 0.000 2.505 149 H HA 0.570 5.126 4.556 -0.000 0.000 0.351 149 H C 0.866 176.205 175.328 0.017 0.000 1.151 149 H CA -0.456 55.605 56.048 0.021 0.000 1.339 149 H CB 1.288 31.062 29.762 0.020 0.000 1.483 149 H HN 0.472 nan 8.280 nan 0.000 0.558 150 A N 2.481 125.387 122.820 0.144 0.000 2.451 150 A HA 0.148 4.467 4.320 -0.000 0.000 0.266 150 A C 0.927 178.539 177.584 0.047 0.000 1.119 150 A CA -0.412 51.668 52.037 0.072 0.000 0.786 150 A CB 0.080 19.115 19.000 0.058 0.000 1.061 150 A HN 0.607 nan 8.150 nan 0.000 0.503 151 V N 2.685 122.602 119.914 0.004 0.000 2.949 151 V HA 0.399 4.519 4.120 -0.000 0.000 0.245 151 V C 1.353 177.457 176.094 0.016 0.000 1.086 151 V CA 1.491 63.782 62.300 -0.014 0.000 1.097 151 V CB -0.460 31.303 31.823 -0.101 0.000 0.762 151 V HN 1.283 nan 8.190 nan 0.000 0.470 152 G N -0.041 108.746 108.800 -0.021 0.000 2.342 152 G HA2 0.467 4.427 3.960 -0.000 0.000 0.297 152 G HA3 0.467 4.427 3.960 -0.000 0.000 0.297 152 G C -1.722 173.231 174.900 0.089 0.000 1.313 152 G CA -0.370 44.796 45.100 0.110 0.000 0.830 152 G HN 0.284 nan 8.290 nan 0.000 0.506 153 I N -2.176 118.494 120.570 0.167 0.000 2.530 153 I HA 0.789 4.958 4.170 -0.000 0.000 0.297 153 I C -0.430 175.861 176.117 0.289 0.000 1.011 153 I CA -1.144 60.270 61.300 0.190 0.000 1.107 153 I CB 2.042 40.141 38.000 0.164 0.000 1.285 153 I HN 0.400 nan 8.210 nan 0.000 0.436 154 F N 6.055 126.089 119.950 0.139 0.000 2.572 154 F HA 0.277 4.804 4.527 -0.000 0.000 0.370 154 F C 1.248 177.145 175.800 0.161 0.000 1.103 154 F CA 0.078 58.176 58.000 0.163 0.000 1.286 154 F CB 0.680 39.748 39.000 0.113 0.000 1.105 154 F HN 0.728 nan 8.300 nan 0.000 0.583 155 R N 3.484 123.678 120.500 -0.511 0.000 2.492 155 R HA 0.732 5.071 4.340 -0.000 0.000 0.219 155 R C -0.714 175.263 176.300 -0.538 0.000 0.886 155 R CA 0.259 56.147 56.100 -0.353 0.000 1.003 155 R CB 0.357 30.607 30.300 -0.083 0.000 1.345 155 R HN 0.573 nan 8.270 nan 0.000 0.631 156 A N 0.790 123.112 122.820 -0.830 0.000 2.608 156 A HA 0.774 5.094 4.320 -0.000 0.000 0.292 156 A C -1.705 175.722 177.584 -0.261 0.000 1.066 156 A CA -0.497 51.252 52.037 -0.480 0.000 0.676 156 A CB 1.427 20.281 19.000 -0.243 0.000 1.277 156 A HN 0.316 nan 8.150 nan 0.000 0.413 157 A N 0.318 123.149 122.820 0.018 0.000 2.305 157 A HA 0.666 4.986 4.320 -0.000 0.000 0.322 157 A C -0.545 177.091 177.584 0.085 0.000 1.187 157 A CA -0.445 51.704 52.037 0.186 0.000 0.825 157 A CB 0.806 19.963 19.000 0.262 0.000 1.164 157 A HN 1.465 nan 8.150 nan 0.000 0.498 158 V N 2.057 122.021 119.914 0.083 0.000 2.348 158 V HA 0.262 4.382 4.120 -0.000 0.000 0.270 158 V C -0.145 175.957 176.094 0.012 0.000 1.037 158 V CA -0.451 61.866 62.300 0.028 0.000 0.872 158 V CB 0.032 31.869 31.823 0.024 0.000 1.002 158 V HN 0.940 nan 8.190 nan 0.000 0.464 159 C N 3.447 122.729 119.300 -0.029 0.000 2.435 159 C HA 0.686 5.146 4.460 -0.000 0.000 0.333 159 C C 0.718 175.652 174.990 -0.094 0.000 1.202 159 C CA -0.492 58.500 59.018 -0.042 0.000 1.830 159 C CB 1.490 29.212 27.740 -0.031 0.000 2.326 159 C HN 0.821 nan 8.230 nan 0.000 0.507 160 T N 2.568 117.080 114.554 -0.071 0.000 2.809 160 T HA 0.371 4.720 4.350 -0.000 0.000 0.296 160 T C 0.172 174.829 174.700 -0.072 0.000 1.015 160 T CA -0.435 61.613 62.100 -0.086 0.000 0.954 160 T CB 0.290 69.123 68.868 -0.059 0.000 0.950 160 T HN 0.750 nan 8.240 nan 0.000 0.450 161 R N 2.159 122.602 120.500 -0.096 0.000 3.405 161 R HA -0.240 4.100 4.340 -0.000 0.000 0.258 161 R C 1.240 177.523 176.300 -0.029 0.000 1.030 161 R CA 0.695 56.759 56.100 -0.061 0.000 0.691 161 R CB -2.061 28.214 30.300 -0.042 0.000 1.093 161 R HN 1.212 nan 8.270 nan 0.000 0.448 162 G N -1.817 106.966 108.800 -0.028 0.000 2.176 162 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.253 162 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.253 162 G C 0.142 175.053 174.900 0.019 0.000 0.979 162 G CA 0.034 45.140 45.100 0.010 0.000 0.641 162 G HN 0.291 nan 8.290 nan 0.000 0.530 163 V N 1.499 121.415 119.914 0.003 0.000 2.350 163 V HA 0.725 4.845 4.120 -0.000 0.000 0.276 163 V C 0.863 176.966 176.094 0.015 0.000 1.028 163 V CA -0.387 61.919 62.300 0.010 0.000 0.860 163 V CB 1.301 33.122 31.823 -0.004 0.000 0.990 163 V HN 1.098 nan 8.190 nan 0.000 0.453 164 A N 4.877 127.721 122.820 0.041 0.000 2.484 164 A HA 0.318 4.638 4.320 -0.000 0.000 0.268 164 A C 0.997 178.603 177.584 0.037 0.000 1.114 164 A CA 0.037 52.109 52.037 0.059 0.000 0.780 164 A CB -0.019 19.047 19.000 0.110 0.000 1.061 164 A HN 0.939 nan 8.150 nan 0.000 0.505 165 K N 1.387 121.804 120.400 0.029 0.000 2.370 165 K HA 0.380 4.700 4.320 -0.000 0.000 0.194 165 K C 0.503 177.124 176.600 0.034 0.000 1.070 165 K CA 0.919 57.216 56.287 0.017 0.000 0.998 165 K CB 0.644 33.144 32.500 0.000 0.000 0.911 165 K HN 0.773 nan 8.250 nan 0.000 0.533 166 A N 0.885 123.740 122.820 0.059 0.000 2.569 166 A HA 0.640 4.960 4.320 -0.000 0.000 0.290 166 A C -1.170 176.506 177.584 0.154 0.000 1.136 166 A CA -0.737 51.353 52.037 0.087 0.000 0.710 166 A CB 1.496 20.535 19.000 0.065 0.000 1.303 166 A HN -0.056 nan 8.150 nan 0.000 0.413 167 V N -1.357 118.685 119.914 0.213 0.000 2.823 167 V HA 0.778 4.898 4.120 -0.000 0.000 0.312 167 V C -0.975 175.294 176.094 0.291 0.000 1.072 167 V CA -0.646 61.863 62.300 0.348 0.000 0.937 167 V CB 1.644 33.791 31.823 0.540 0.000 1.013 167 V HN 0.895 nan 8.190 nan 0.000 0.430 168 D N 2.609 123.114 120.400 0.175 0.000 2.217 168 D HA 0.728 5.368 4.640 -0.000 0.000 0.243 168 D C -0.770 175.580 176.300 0.084 0.000 1.054 168 D CA -0.317 53.703 54.000 0.033 0.000 0.838 168 D CB 1.442 42.193 40.800 -0.081 0.000 1.162 168 D HN 0.690 nan 8.370 nan 0.000 0.472 169 F N 1.051 120.994 119.950 -0.012 0.000 2.613 169 F HA 0.640 5.167 4.527 -0.000 0.000 0.314 169 F C -1.416 174.366 175.800 -0.030 0.000 1.075 169 F CA -1.343 56.658 58.000 0.000 0.000 0.945 169 F CB 0.844 39.892 39.000 0.079 0.000 1.310 169 F HN 0.011 nan 8.300 nan 0.000 0.467 170 V N 3.591 123.576 119.914 0.119 0.000 2.368 170 V HA 0.331 4.450 4.120 -0.000 0.000 0.266 170 V C -2.009 174.145 176.094 0.100 0.000 1.045 170 V CA -1.646 60.649 62.300 -0.007 0.000 0.899 170 V CB 0.406 32.206 31.823 -0.039 0.000 1.006 170 V HN 0.592 nan 8.190 nan 0.000 0.470 171 P HA 0.105 nan 4.420 nan 0.000 0.272 171 P C 1.206 178.493 177.300 -0.022 0.000 1.223 171 P CA -0.106 63.075 63.100 0.135 0.000 0.784 171 P CB 1.215 32.939 31.700 0.040 0.000 0.923 172 V N 0.365 120.270 119.914 -0.015 0.000 2.380 172 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 172 V C 1.966 177.975 176.094 -0.142 0.000 1.063 172 V CA 1.970 64.201 62.300 -0.115 0.000 1.055 172 V CB -1.897 29.892 31.823 -0.058 0.000 0.657 172 V HN 0.349 nan 8.190 nan 0.000 0.455 173 E N 1.236 121.386 120.200 -0.083 0.000 2.160 173 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 173 E C 2.393 178.915 176.600 -0.130 0.000 0.991 173 E CA 1.674 58.022 56.400 -0.086 0.000 0.810 173 E CB -0.545 29.123 29.700 -0.052 0.000 0.742 173 E HN 0.662 nan 8.360 nan 0.000 0.466 174 S N -0.228 115.374 115.700 -0.163 0.000 2.428 174 S HA -0.042 4.428 4.470 -0.000 0.000 0.230 174 S C 1.785 176.198 174.600 -0.312 0.000 1.014 174 S CA 0.850 58.930 58.200 -0.199 0.000 0.957 174 S CB -0.090 62.997 63.200 -0.187 0.000 0.784 174 S HN 0.253 nan 8.310 nan 0.000 0.499 175 M N 0.644 119.967 119.600 -0.462 0.000 2.200 175 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 175 M C 2.230 178.287 176.300 -0.404 0.000 1.066 175 M CA 1.169 55.997 55.300 -0.786 0.000 1.127 175 M CB -0.333 31.555 32.600 -1.186 0.000 1.379 175 M HN 0.124 nan 8.290 nan 0.000 0.420 176 E N 0.637 120.693 120.200 -0.240 0.000 2.017 176 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 176 E C 1.818 178.354 176.600 -0.107 0.000 0.997 176 E CA 2.126 58.453 56.400 -0.122 0.000 0.804 176 E CB -0.421 29.229 29.700 -0.083 0.000 0.757 176 E HN 0.297 nan 8.360 nan 0.000 0.448 177 T N -0.157 114.330 114.554 -0.112 0.000 2.685 177 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 177 T C 1.818 176.471 174.700 -0.078 0.000 1.034 177 T CA 2.022 64.073 62.100 -0.083 0.000 1.149 177 T CB -0.682 68.135 68.868 -0.085 0.000 0.860 177 T HN 0.275 nan 8.240 nan 0.000 0.449 178 T N 1.726 116.205 114.554 -0.125 0.000 2.777 178 T HA 0.047 4.397 4.350 -0.000 0.000 0.266 178 T C 2.041 176.667 174.700 -0.122 0.000 1.040 178 T CA 1.038 63.081 62.100 -0.095 0.000 1.141 178 T CB -0.302 68.499 68.868 -0.111 0.000 0.868 178 T HN 0.331 nan 8.240 nan 0.000 0.444 179 M N 1.036 120.493 119.600 -0.238 0.000 2.159 179 M HA -0.061 4.419 4.480 -0.000 0.000 0.263 179 M C 2.076 178.406 176.300 0.051 0.000 1.063 179 M CA 1.418 56.571 55.300 -0.245 0.000 1.110 179 M CB -0.172 32.344 32.600 -0.140 0.000 1.374 179 M HN 0.215 nan 8.290 nan 0.000 0.411 180 R N -0.063 120.448 120.500 0.018 0.000 2.427 180 R HA 0.195 4.535 4.340 -0.000 0.000 0.262 180 R C 0.043 176.369 176.300 0.044 0.000 0.943 180 R CA -0.107 56.019 56.100 0.044 0.000 1.081 180 R CB -0.274 30.039 30.300 0.022 0.000 1.166 180 R HN 0.137 nan 8.270 nan 0.000 0.534 181 S N 1.413 117.146 115.700 0.055 0.000 2.610 181 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 181 S C -2.137 172.517 174.600 0.091 0.000 1.274 181 S CA -1.506 56.727 58.200 0.055 0.000 1.023 181 S CB 0.978 64.204 63.200 0.043 0.000 0.962 181 S HN 0.112 nan 8.310 nan 0.000 0.523 182 P HA 0.165 nan 4.420 nan 0.000 0.276 182 P C 0.860 178.227 177.300 0.113 0.000 1.253 182 P CA -0.434 62.714 63.100 0.080 0.000 0.766 182 P CB 0.870 32.594 31.700 0.039 0.000 0.845 183 V N 3.269 123.263 119.914 0.134 0.000 2.568 183 V HA -0.188 3.932 4.120 -0.000 0.000 0.253 183 V C 1.183 177.390 176.094 0.188 0.000 1.072 183 V CA 1.417 63.792 62.300 0.126 0.000 1.084 183 V CB -1.002 30.847 31.823 0.043 0.000 0.676 183 V HN 0.473 nan 8.190 nan 0.000 0.469 184 F N 1.819 121.769 119.950 0.000 0.000 2.303 184 F HA 0.454 4.981 4.527 -0.000 0.000 0.368 184 F C 0.228 176.026 175.800 -0.003 0.000 1.105 184 F CA -1.131 56.866 58.000 -0.004 0.000 1.153 184 F CB 0.246 39.240 39.000 -0.008 0.000 1.362 184 F HN -0.137 nan 8.300 nan 0.000 0.511 185 T N 5.085 119.723 114.554 0.140 0.000 2.749 185 T HA 0.101 4.451 4.350 -0.000 0.000 0.287 185 T C -0.467 174.139 174.700 -0.156 0.000 0.970 185 T CA -0.480 61.561 62.100 -0.098 0.000 0.980 185 T CB 0.706 69.555 68.868 -0.032 0.000 0.924 185 T HN 0.381 nan 8.240 nan 0.000 0.456 186 D N 3.172 123.317 120.400 -0.424 0.000 2.339 186 D HA 0.100 4.739 4.640 -0.000 0.000 0.241 186 D C 0.011 176.230 176.300 -0.134 0.000 1.183 186 D CA -0.268 53.559 54.000 -0.289 0.000 0.859 186 D CB 0.496 41.029 40.800 -0.444 0.000 1.067 186 D HN 0.397 nan 8.370 nan 0.000 0.484 187 N N 2.387 121.051 118.700 -0.058 0.000 2.401 187 N HA -0.048 4.692 4.740 -0.000 0.000 0.264 187 N C 0.851 176.331 175.510 -0.050 0.000 1.238 187 N CA -0.128 52.853 53.050 -0.115 0.000 0.889 187 N CB 1.027 39.328 38.487 -0.310 0.000 1.196 187 N HN 0.219 nan 8.380 nan 0.000 0.511 188 S N -0.381 115.318 115.700 -0.003 0.000 2.478 188 S HA 0.141 4.610 4.470 -0.000 0.000 0.222 188 S C 0.732 175.330 174.600 -0.004 0.000 1.008 188 S CA 0.149 58.366 58.200 0.027 0.000 0.928 188 S CB 0.288 63.522 63.200 0.057 0.000 0.781 188 S HN 0.106 nan 8.310 nan 0.000 0.518 189 S N 2.878 118.560 115.700 -0.030 0.000 2.578 189 S HA 0.539 5.009 4.470 -0.000 0.000 0.283 189 S C -2.741 171.827 174.600 -0.052 0.000 1.195 189 S CA -1.063 57.112 58.200 -0.042 0.000 1.050 189 S CB 1.290 64.463 63.200 -0.045 0.000 1.012 189 S HN 0.239 nan 8.310 nan 0.000 0.511 190 P HA 0.153 nan 4.420 nan 0.000 0.262 190 P C -2.300 174.993 177.300 -0.011 0.000 1.199 190 P CA -0.805 62.253 63.100 -0.071 0.000 0.763 190 P CB -0.538 31.026 31.700 -0.227 0.000 0.790 191 P HA 0.036 nan 4.420 nan 0.000 0.267 191 P C -0.378 176.951 177.300 0.048 0.000 1.200 191 P CA 0.007 63.104 63.100 -0.005 0.000 0.772 191 P CB 0.511 32.174 31.700 -0.061 0.000 0.855 192 A N 2.704 125.522 122.820 -0.003 0.000 2.371 192 A HA 0.267 4.587 4.320 -0.000 0.000 0.257 192 A C 0.153 177.690 177.584 -0.079 0.000 1.089 192 A CA -0.569 51.471 52.037 0.006 0.000 0.794 192 A CB 0.076 19.073 19.000 -0.006 0.000 1.029 192 A HN 0.385 nan 8.150 nan 0.000 0.488 193 V N 5.084 124.918 119.914 -0.134 0.000 2.446 193 V HA 0.185 4.305 4.120 -0.000 0.000 0.276 193 V C -1.374 174.631 176.094 -0.148 0.000 1.030 193 V CA -0.653 61.473 62.300 -0.289 0.000 1.033 193 V CB 0.051 31.526 31.823 -0.580 0.000 0.993 193 V HN 0.899 nan 8.190 nan 0.000 0.477 194 P HA 0.255 nan 4.420 nan 0.000 0.277 194 P C 0.383 177.650 177.300 -0.055 0.000 1.271 194 P CA -0.497 62.547 63.100 -0.094 0.000 0.795 194 P CB 1.077 32.704 31.700 -0.122 0.000 1.101 195 Q N -0.460 119.324 119.800 -0.026 0.000 2.083 195 Q HA 0.016 4.356 4.340 -0.000 0.000 0.198 195 Q C 0.927 176.932 176.000 0.008 0.000 0.969 195 Q CA 1.236 57.038 55.803 -0.001 0.000 0.838 195 Q CB -0.168 28.571 28.738 0.003 0.000 0.900 195 Q HN 0.632 nan 8.270 nan 0.000 0.436 196 S N -0.845 114.858 115.700 0.004 0.000 2.638 196 S HA 0.439 4.909 4.470 -0.000 0.000 0.302 196 S C -0.407 174.221 174.600 0.046 0.000 1.096 196 S CA -0.967 57.257 58.200 0.040 0.000 0.953 196 S CB 1.280 64.506 63.200 0.044 0.000 1.107 196 S HN 0.183 nan 8.310 nan 0.000 0.503 197 F N 1.916 121.838 119.950 -0.047 0.000 2.604 197 F HA 0.188 4.715 4.527 -0.000 0.000 0.393 197 F C 0.365 176.126 175.800 -0.065 0.000 1.043 197 F CA 0.974 58.938 58.000 -0.060 0.000 1.227 197 F CB 0.078 39.048 39.000 -0.049 0.000 1.016 197 F HN 0.666 nan 8.300 nan 0.000 0.556 198 Q N 3.818 123.102 119.800 -0.859 0.000 2.456 198 Q HA 0.584 4.924 4.340 -0.000 0.000 0.283 198 Q C -1.520 173.902 176.000 -0.964 0.000 1.084 198 Q CA -1.308 54.058 55.803 -0.728 0.000 0.801 198 Q CB 2.705 31.232 28.738 -0.353 0.000 1.434 198 Q HN 0.441 nan 8.270 nan 0.000 0.419 199 V N 1.121 120.692 119.914 -0.572 0.000 2.370 199 V HA 0.780 4.900 4.120 -0.000 0.000 0.279 199 V C -0.523 175.364 176.094 -0.344 0.000 1.029 199 V CA -0.369 61.677 62.300 -0.424 0.000 0.870 199 V CB 1.004 32.682 31.823 -0.242 0.000 0.984 199 V HN 0.821 nan 8.190 nan 0.000 0.451 200 A N 4.211 126.808 122.820 -0.372 0.000 2.423 200 A HA 0.817 5.137 4.320 -0.000 0.000 0.304 200 A C -0.756 176.580 177.584 -0.414 0.000 1.104 200 A CA -0.681 51.181 52.037 -0.292 0.000 0.757 200 A CB 1.315 20.188 19.000 -0.211 0.000 1.313 200 A HN 0.859 nan 8.150 nan 0.000 0.423 201 H N 0.377 119.328 119.070 -0.198 0.000 2.472 201 H HA 0.508 5.064 4.556 -0.000 0.000 0.338 201 H C -1.460 173.685 175.328 -0.306 0.000 1.133 201 H CA -0.448 55.443 56.048 -0.262 0.000 1.216 201 H CB 1.995 31.521 29.762 -0.392 0.000 1.497 201 H HN 0.424 nan 8.280 nan 0.000 0.500 202 L N 4.093 125.251 121.223 -0.108 0.000 2.345 202 L HA 0.238 4.578 4.340 -0.000 0.000 0.274 202 L C -0.956 175.967 176.870 0.089 0.000 0.999 202 L CA -0.341 54.465 54.840 -0.056 0.000 0.849 202 L CB 0.281 42.332 42.059 -0.012 0.000 1.220 202 L HN 0.600 nan 8.230 nan 0.000 0.422 203 H N 4.844 123.943 119.070 0.049 0.000 2.623 203 H HA 0.827 5.383 4.556 -0.000 0.000 0.299 203 H C -0.505 174.840 175.328 0.029 0.000 1.052 203 H CA -0.617 55.455 56.048 0.041 0.000 1.231 203 H CB 1.298 31.084 29.762 0.040 0.000 1.389 203 H HN 0.795 nan 8.280 nan 0.000 0.469 204 A N 4.632 127.535 122.820 0.138 0.000 2.549 204 A HA 0.482 4.802 4.320 -0.000 0.000 0.297 204 A C -2.935 174.680 177.584 0.051 0.000 1.061 204 A CA -1.833 50.249 52.037 0.075 0.000 0.690 204 A CB 1.355 20.385 19.000 0.050 0.000 1.287 204 A HN 0.353 nan 8.150 nan 0.000 0.402 205 P HA 0.222 nan 4.420 nan 0.000 0.269 205 P C 0.036 177.356 177.300 0.033 0.000 1.215 205 P CA 0.290 63.402 63.100 0.021 0.000 0.780 205 P CB 0.296 32.001 31.700 0.007 0.000 0.898 206 T N 1.948 116.525 114.554 0.038 0.000 2.905 206 T HA 0.281 4.631 4.350 -0.000 0.000 0.299 206 T C 1.436 176.168 174.700 0.054 0.000 1.024 206 T CA 1.504 63.634 62.100 0.051 0.000 1.151 206 T CB -0.509 68.394 68.868 0.058 0.000 0.987 206 T HN 0.845 nan 8.240 nan 0.000 0.535 207 G N 2.206 111.034 108.800 0.047 0.000 2.175 207 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.244 207 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.244 207 G C 1.063 175.989 174.900 0.043 0.000 0.982 207 G CA 0.520 45.647 45.100 0.044 0.000 0.641 207 G HN 1.039 nan 8.290 nan 0.000 0.527 208 S N -0.008 115.713 115.700 0.036 0.000 2.603 208 S HA 0.416 4.886 4.470 -0.000 0.000 0.220 208 S C 2.021 176.636 174.600 0.026 0.000 0.967 208 S CA 1.252 59.471 58.200 0.031 0.000 0.920 208 S CB 0.201 63.416 63.200 0.025 0.000 0.773 208 S HN 2.359 nan 8.310 nan 0.000 0.529 209 G N 1.702 110.516 108.800 0.022 0.000 2.142 209 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.225 209 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.225 209 G C 0.596 175.477 174.900 -0.031 0.000 1.015 209 G CA 0.282 45.387 45.100 0.007 0.000 0.716 209 G HN 0.510 nan 8.290 nan 0.000 0.508 210 K N 0.362 120.749 120.400 -0.021 0.000 2.113 210 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 210 K C 2.579 179.132 176.600 -0.079 0.000 1.047 210 K CA 1.893 58.159 56.287 -0.035 0.000 0.928 210 K CB -0.176 32.327 32.500 0.005 0.000 0.716 210 K HN 0.726 nan 8.250 nan 0.000 0.446 211 S N -1.061 114.573 115.700 -0.110 0.000 2.540 211 S HA 0.039 4.509 4.470 -0.000 0.000 0.218 211 S C 1.457 175.886 174.600 -0.284 0.000 0.977 211 S CA 0.431 58.484 58.200 -0.245 0.000 0.918 211 S CB 0.347 63.333 63.200 -0.357 0.000 0.806 211 S HN 0.352 nan 8.310 nan 0.000 0.496 212 T N -0.232 114.226 114.554 -0.160 0.000 3.400 212 T HA 0.327 4.676 4.350 -0.000 0.000 0.228 212 T C 1.537 176.128 174.700 -0.182 0.000 0.992 212 T CA 0.191 62.240 62.100 -0.084 0.000 1.222 212 T CB -0.491 68.395 68.868 0.030 0.000 1.236 212 T HN 0.126 nan 8.240 nan 0.000 0.357 213 K N 0.924 121.258 120.400 -0.111 0.000 2.074 213 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 213 K C 2.220 178.702 176.600 -0.196 0.000 1.048 213 K CA 1.839 58.043 56.287 -0.139 0.000 0.926 213 K CB -0.602 31.919 32.500 0.036 0.000 0.713 213 K HN 0.265 nan 8.250 nan 0.000 0.444 214 V N 1.639 121.445 119.914 -0.180 0.000 2.244 214 V HA -0.164 3.955 4.120 -0.000 0.000 0.244 214 V C -1.047 174.876 176.094 -0.285 0.000 1.042 214 V CA 1.936 64.074 62.300 -0.270 0.000 1.006 214 V CB -1.158 30.541 31.823 -0.206 0.000 0.641 214 V HN 0.381 nan 8.190 nan 0.000 0.446 215 P HA -0.153 nan 4.420 nan 0.000 0.217 215 P C 1.597 178.876 177.300 -0.036 0.000 1.150 215 P CA 2.186 65.277 63.100 -0.016 0.000 0.832 215 P CB -0.091 31.535 31.700 -0.124 0.000 0.787 216 A N 0.565 123.297 122.820 -0.147 0.000 1.933 216 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 216 A C 2.495 180.042 177.584 -0.063 0.000 1.175 216 A CA 2.097 54.049 52.037 -0.140 0.000 0.628 216 A CB -1.505 17.240 19.000 -0.425 0.000 0.814 216 A HN 0.223 nan 8.150 nan 0.000 0.444 217 A N -1.072 121.676 122.820 -0.121 0.000 1.883 217 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 217 A C 2.088 179.668 177.584 -0.007 0.000 1.186 217 A CA 1.703 53.680 52.037 -0.100 0.000 0.624 217 A CB -0.881 17.988 19.000 -0.219 0.000 0.822 217 A HN 0.538 nan 8.150 nan 0.000 0.444 218 Y N -0.071 120.249 120.300 0.032 0.000 2.165 218 Y HA -0.130 4.419 4.550 -0.000 0.000 0.286 218 Y C 2.991 178.989 175.900 0.164 0.000 1.155 218 Y CA 0.550 58.725 58.100 0.124 0.000 1.164 218 Y CB -1.034 37.450 38.460 0.040 0.000 0.978 218 Y HN 0.334 nan 8.280 nan 0.000 0.513 219 A N -0.006 122.955 122.820 0.236 0.000 1.908 219 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 219 A C 2.499 180.136 177.584 0.087 0.000 1.181 219 A CA 1.949 54.071 52.037 0.142 0.000 0.627 219 A CB -1.259 17.793 19.000 0.086 0.000 0.818 219 A HN 0.397 nan 8.150 nan 0.000 0.445 220 A N -0.559 122.307 122.820 0.077 0.000 1.978 220 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 220 A C 1.932 179.528 177.584 0.021 0.000 1.170 220 A CA 1.620 53.683 52.037 0.044 0.000 0.636 220 A CB -0.511 18.515 19.000 0.043 0.000 0.810 220 A HN 0.691 nan 8.150 nan 0.000 0.448 221 Q N -1.426 118.404 119.800 0.051 0.000 2.415 221 Q HA 0.316 4.656 4.340 -0.000 0.000 0.206 221 Q C 0.975 176.811 176.000 -0.272 0.000 0.946 221 Q CA 0.335 56.119 55.803 -0.031 0.000 0.951 221 Q CB 0.066 28.889 28.738 0.142 0.000 1.026 221 Q HN 0.858 nan 8.270 nan 0.000 0.510 222 G N -0.008 108.683 108.800 -0.181 0.000 2.132 222 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.234 222 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.234 222 G C -0.498 174.232 174.900 -0.283 0.000 0.989 222 G CA -0.388 44.570 45.100 -0.237 0.000 0.676 222 G HN 0.279 nan 8.290 nan 0.000 0.522 223 Y N 0.198 120.512 120.300 0.024 0.000 2.320 223 Y HA 0.613 5.162 4.550 -0.000 0.000 0.324 223 Y C 0.905 176.809 175.900 0.006 0.000 1.190 223 Y CA -0.676 57.422 58.100 -0.002 0.000 1.215 223 Y CB 1.044 39.481 38.460 -0.038 0.000 1.221 223 Y HN 0.027 nan 8.280 nan 0.000 0.486 224 K N 1.831 122.336 120.400 0.175 0.000 2.248 224 K HA 0.580 4.900 4.320 -0.000 0.000 0.281 224 K C -1.365 175.354 176.600 0.199 0.000 1.054 224 K CA -0.394 55.974 56.287 0.135 0.000 0.903 224 K CB 1.003 33.530 32.500 0.044 0.000 1.077 224 K HN 0.335 nan 8.250 nan 0.000 0.474 225 V N 4.326 124.352 119.914 0.187 0.000 2.588 225 V HA 0.361 4.481 4.120 -0.000 0.000 0.304 225 V C -1.120 174.906 176.094 -0.114 0.000 1.042 225 V CA -1.056 61.260 62.300 0.027 0.000 0.877 225 V CB 1.579 33.377 31.823 -0.041 0.000 0.996 225 V HN 0.528 nan 8.190 nan 0.000 0.425 226 L N 6.193 127.149 121.223 -0.446 0.000 2.296 226 L HA 0.760 5.100 4.340 -0.000 0.000 0.286 226 L C -0.604 175.925 176.870 -0.567 0.000 1.023 226 L CA -0.005 54.376 54.840 -0.766 0.000 0.812 226 L CB 1.772 42.990 42.059 -1.401 0.000 1.223 226 L HN 0.456 nan 8.230 nan 0.000 0.421 227 V N 6.686 126.249 119.914 -0.585 0.000 2.378 227 V HA 0.421 4.541 4.120 -0.000 0.000 0.288 227 V C 0.004 175.844 176.094 -0.423 0.000 1.016 227 V CA -0.541 61.447 62.300 -0.519 0.000 0.840 227 V CB 1.257 32.658 31.823 -0.702 0.000 0.994 227 V HN 0.620 nan 8.190 nan 0.000 0.431 228 L N 5.021 125.952 121.223 -0.487 0.000 2.307 228 L HA 0.628 4.968 4.340 -0.000 0.000 0.282 228 L C 0.074 176.558 176.870 -0.645 0.000 1.051 228 L CA -0.130 54.270 54.840 -0.733 0.000 0.804 228 L CB 1.303 42.642 42.059 -1.199 0.000 1.197 228 L HN 0.624 nan 8.230 nan 0.000 0.431 229 N N 2.995 121.390 118.700 -0.509 0.000 2.264 229 N HA 0.336 5.076 4.740 -0.000 0.000 0.288 229 N C -2.458 173.083 175.510 0.052 0.000 1.094 229 N CA -1.457 51.545 53.050 -0.079 0.000 0.817 229 N CB 3.259 41.840 38.487 0.158 0.000 1.604 229 N HN 0.116 nan 8.380 nan 0.000 0.473 230 P HA -0.030 nan 4.420 nan 0.000 0.221 230 P C 0.185 177.553 177.300 0.113 0.000 1.150 230 P CA 0.858 64.099 63.100 0.236 0.000 0.800 230 P CB 0.273 32.054 31.700 0.135 0.000 0.787 231 S N -0.841 114.910 115.700 0.086 0.000 2.457 231 S HA 0.213 4.683 4.470 -0.000 0.000 0.289 231 S C 1.201 175.812 174.600 0.019 0.000 1.163 231 S CA -0.700 57.529 58.200 0.048 0.000 1.078 231 S CB 0.513 63.734 63.200 0.035 0.000 0.987 231 S HN -0.247 nan 8.310 nan 0.000 0.482 232 V N 5.662 125.584 119.914 0.014 0.000 2.343 232 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 232 V C 2.840 178.908 176.094 -0.043 0.000 1.051 232 V CA 2.222 64.520 62.300 -0.002 0.000 1.036 232 V CB -1.539 30.288 31.823 0.007 0.000 0.654 232 V HN 0.959 nan 8.190 nan 0.000 0.451 233 A N 0.208 122.998 122.820 -0.051 0.000 1.902 233 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 233 A C 2.426 179.883 177.584 -0.212 0.000 1.181 233 A CA 2.208 54.181 52.037 -0.107 0.000 0.623 233 A CB -0.795 18.154 19.000 -0.085 0.000 0.818 233 A HN 0.577 nan 8.150 nan 0.000 0.443 234 A N -1.214 121.470 122.820 -0.226 0.000 1.898 234 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 234 A C 2.311 179.486 177.584 -0.683 0.000 1.181 234 A CA 2.224 53.984 52.037 -0.462 0.000 0.620 234 A CB -1.235 17.602 19.000 -0.271 0.000 0.819 234 A HN 0.418 nan 8.150 nan 0.000 0.442 235 T N 0.690 115.108 114.554 -0.227 0.000 2.708 235 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 235 T C 1.829 176.473 174.700 -0.093 0.000 1.037 235 T CA 1.559 63.658 62.100 -0.002 0.000 1.146 235 T CB -0.441 68.482 68.868 0.092 0.000 0.865 235 T HN 0.377 nan 8.240 nan 0.000 0.435 236 L N 0.667 121.815 121.223 -0.125 0.000 2.012 236 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 236 L C 3.066 179.830 176.870 -0.177 0.000 1.073 236 L CA 1.472 56.249 54.840 -0.105 0.000 0.748 236 L CB -1.185 40.823 42.059 -0.085 0.000 0.891 236 L HN 0.355 nan 8.230 nan 0.000 0.431 237 G N -0.300 108.315 108.800 -0.308 0.000 2.485 237 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.221 237 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.221 237 G C 1.302 176.015 174.900 -0.312 0.000 1.115 237 G CA 0.524 45.420 45.100 -0.340 0.000 0.751 237 G HN 0.200 nan 8.290 nan 0.000 0.567 238 F N 1.677 121.453 119.950 -0.290 0.000 2.293 238 F HA 0.101 4.628 4.527 -0.000 0.000 0.300 238 F C 2.732 178.352 175.800 -0.299 0.000 1.086 238 F CA 0.142 57.855 58.000 -0.478 0.000 1.375 238 F CB -0.846 37.390 39.000 -1.274 0.000 1.045 238 F HN 0.162 nan 8.300 nan 0.000 0.516 239 G N 0.043 108.816 108.800 -0.045 0.000 2.545 239 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 239 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 239 G C 1.968 176.902 174.900 0.057 0.000 1.218 239 G CA 1.223 46.340 45.100 0.028 0.000 0.787 239 G HN 0.436 nan 8.290 nan 0.000 0.571 240 A N -0.440 122.401 122.820 0.035 0.000 1.933 240 A HA -0.039 4.280 4.320 -0.000 0.000 0.218 240 A C 2.249 179.872 177.584 0.066 0.000 1.175 240 A CA 1.810 53.868 52.037 0.035 0.000 0.628 240 A CB -0.644 18.360 19.000 0.007 0.000 0.814 240 A HN 0.562 nan 8.150 nan 0.000 0.444 241 Y N -1.143 119.157 120.300 0.001 0.000 2.242 241 Y HA -0.120 4.430 4.550 -0.000 0.000 0.291 241 Y C 2.245 178.204 175.900 0.098 0.000 1.137 241 Y CA 2.082 60.208 58.100 0.042 0.000 1.181 241 Y CB -0.148 38.351 38.460 0.065 0.000 0.989 241 Y HN 0.294 nan 8.280 nan 0.000 0.527 242 M N -0.404 119.370 119.600 0.290 0.000 2.200 242 M HA -0.163 4.317 4.480 -0.000 0.000 0.265 242 M C 2.310 178.689 176.300 0.131 0.000 1.066 242 M CA 1.581 57.043 55.300 0.270 0.000 1.127 242 M CB -0.440 32.325 32.600 0.273 0.000 1.379 242 M HN 0.146 nan 8.290 nan 0.000 0.420 243 S N 0.789 116.533 115.700 0.074 0.000 2.353 243 S HA -0.208 4.262 4.470 -0.000 0.000 0.222 243 S C 1.757 176.341 174.600 -0.026 0.000 1.035 243 S CA 1.952 60.171 58.200 0.032 0.000 1.025 243 S CB -0.467 62.746 63.200 0.022 0.000 0.902 243 S HN 0.633 nan 8.310 nan 0.000 0.440 244 K N 1.208 121.556 120.400 -0.087 0.000 2.167 244 K HA 0.248 4.568 4.320 -0.000 0.000 0.203 244 K C 2.020 178.486 176.600 -0.224 0.000 1.052 244 K CA 1.070 57.274 56.287 -0.139 0.000 0.956 244 K CB -0.226 32.187 32.500 -0.144 0.000 0.735 244 K HN 0.270 nan 8.250 nan 0.000 0.451 245 A N 0.856 123.471 122.820 -0.342 0.000 2.030 245 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 245 A C 0.672 177.930 177.584 -0.544 0.000 1.164 245 A CA 0.790 52.527 52.037 -0.499 0.000 0.697 245 A CB -0.255 18.238 19.000 -0.846 0.000 0.827 245 A HN 0.505 nan 8.150 nan 0.000 0.457 246 H N -2.461 116.563 119.070 -0.078 0.000 3.367 246 H HA 0.365 4.921 4.556 -0.000 0.000 0.257 246 H C 1.091 176.421 175.328 0.002 0.000 1.201 246 H CA -0.058 55.984 56.048 -0.010 0.000 1.102 246 H CB 0.552 30.339 29.762 0.041 0.000 1.656 246 H HN 0.489 nan 8.280 nan 0.000 0.662 247 G N 1.552 110.388 108.800 0.060 0.000 2.321 247 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.287 247 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.287 247 G C -0.133 174.809 174.900 0.071 0.000 1.018 247 G CA 0.710 45.836 45.100 0.044 0.000 0.855 247 G HN 0.396 nan 8.290 nan 0.000 0.507 248 I N -0.069 120.563 120.570 0.103 0.000 2.436 248 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 248 I C -0.929 175.252 176.117 0.108 0.000 1.010 248 I CA -0.987 60.375 61.300 0.103 0.000 1.098 248 I CB 1.872 39.945 38.000 0.122 0.000 1.266 248 I HN -0.161 nan 8.210 nan 0.000 0.434 249 D N 8.181 128.634 120.400 0.088 0.000 2.500 249 D HA 0.228 4.868 4.640 -0.000 0.000 0.219 249 D C -2.255 174.112 176.300 0.111 0.000 1.137 249 D CA -1.276 52.777 54.000 0.089 0.000 0.946 249 D CB 0.505 41.342 40.800 0.062 0.000 1.022 249 D HN 0.218 nan 8.370 nan 0.000 0.518 250 P HA 0.023 nan 4.420 nan 0.000 0.272 250 P C 0.195 177.598 177.300 0.172 0.000 1.230 250 P CA -0.476 62.743 63.100 0.199 0.000 0.788 250 P CB 1.129 33.053 31.700 0.374 0.000 0.949 251 N N 1.219 120.012 118.700 0.154 0.000 2.416 251 N HA 0.135 4.874 4.740 -0.000 0.000 0.246 251 N C -0.050 175.568 175.510 0.179 0.000 1.260 251 N CA 0.322 53.456 53.050 0.140 0.000 0.897 251 N CB 0.329 38.892 38.487 0.126 0.000 1.110 251 N HN 0.332 nan 8.380 nan 0.000 0.439 252 I N 1.471 122.127 120.570 0.142 0.000 2.533 252 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 252 I C -0.095 176.088 176.117 0.110 0.000 1.056 252 I CA -0.398 60.990 61.300 0.147 0.000 1.057 252 I CB 1.879 39.946 38.000 0.111 0.000 1.240 252 I HN 0.323 nan 8.210 nan 0.000 0.423 253 R N 3.756 124.321 120.500 0.109 0.000 2.473 253 R HA 0.634 4.973 4.340 -0.000 0.000 0.303 253 R C -0.528 175.812 176.300 0.068 0.000 1.002 253 R CA -0.545 55.605 56.100 0.083 0.000 0.884 253 R CB 2.450 32.802 30.300 0.087 0.000 1.173 253 R HN 0.803 nan 8.270 nan 0.000 0.464 254 T N -2.318 112.268 114.554 0.054 0.000 2.841 254 T HA 0.368 4.718 4.350 -0.000 0.000 0.296 254 T C 1.076 175.796 174.700 0.033 0.000 1.166 254 T CA -0.438 61.685 62.100 0.039 0.000 1.007 254 T CB 1.819 70.704 68.868 0.030 0.000 1.253 254 T HN 0.408 nan 8.240 nan 0.000 0.511 255 G N -0.047 108.765 108.800 0.021 0.000 2.440 255 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 255 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 255 G C 1.384 176.298 174.900 0.023 0.000 1.154 255 G CA 1.043 46.153 45.100 0.016 0.000 0.767 255 G HN 0.795 nan 8.290 nan 0.000 0.552 256 V N -0.570 119.355 119.914 0.020 0.000 3.129 256 V HA 0.357 4.477 4.120 -0.000 0.000 0.259 256 V C 0.956 177.065 176.094 0.025 0.000 1.116 256 V CA 0.871 63.184 62.300 0.022 0.000 1.127 256 V CB -0.223 31.611 31.823 0.018 0.000 0.742 256 V HN 0.314 nan 8.190 nan 0.000 0.474 257 R N -0.754 119.762 120.500 0.027 0.000 2.560 257 R HA 0.329 4.669 4.340 -0.000 0.000 0.267 257 R C -1.464 174.858 176.300 0.037 0.000 1.150 257 R CA -0.229 55.889 56.100 0.029 0.000 0.997 257 R CB 1.804 32.118 30.300 0.023 0.000 1.250 257 R HN 0.209 nan 8.270 nan 0.000 0.433 258 T N 5.235 119.813 114.554 0.040 0.000 2.807 258 T HA 0.553 4.903 4.350 -0.000 0.000 0.279 258 T C -0.378 174.350 174.700 0.048 0.000 0.993 258 T CA -0.379 61.750 62.100 0.049 0.000 0.970 258 T CB 0.886 69.783 68.868 0.049 0.000 0.950 258 T HN 0.355 nan 8.240 nan 0.000 0.441 259 I N 2.881 123.486 120.570 0.057 0.000 2.439 259 I HA 0.305 4.474 4.170 -0.000 0.000 0.285 259 I C -0.084 176.071 176.117 0.063 0.000 1.021 259 I CA -0.620 60.713 61.300 0.055 0.000 1.091 259 I CB 2.011 40.044 38.000 0.057 0.000 1.242 259 I HN 0.481 nan 8.210 nan 0.000 0.439 260 T N 3.148 117.733 114.554 0.053 0.000 2.770 260 T HA 0.213 4.563 4.350 -0.000 0.000 0.297 260 T C 0.961 175.688 174.700 0.045 0.000 0.997 260 T CA -0.469 61.662 62.100 0.052 0.000 0.949 260 T CB 1.021 69.915 68.868 0.043 0.000 0.941 260 T HN 0.789 nan 8.240 nan 0.000 0.457 261 T N -0.463 114.121 114.554 0.051 0.000 2.990 261 T HA 0.366 4.716 4.350 -0.000 0.000 0.250 261 T C 1.816 176.537 174.700 0.035 0.000 1.041 261 T CA 0.570 62.696 62.100 0.043 0.000 1.010 261 T CB 0.053 68.952 68.868 0.052 0.000 1.003 261 T HN 0.896 nan 8.240 nan 0.000 0.499 262 G N 1.582 110.403 108.800 0.035 0.000 2.179 262 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.260 262 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.260 262 G C 0.446 175.359 174.900 0.023 0.000 0.977 262 G CA 0.035 45.147 45.100 0.020 0.000 0.641 262 G HN 1.193 nan 8.290 nan 0.000 0.533 263 A N 0.664 123.509 122.820 0.042 0.000 2.475 263 A HA 0.580 4.900 4.320 -0.000 0.000 0.239 263 A C 0.034 177.646 177.584 0.047 0.000 1.087 263 A CA 0.222 52.289 52.037 0.049 0.000 0.779 263 A CB 0.364 19.406 19.000 0.071 0.000 1.036 263 A HN 0.250 nan 8.150 nan 0.000 0.506 264 P HA 0.157 nan 4.420 nan 0.000 0.255 264 P C -0.444 176.904 177.300 0.079 0.000 1.248 264 P CA 0.390 63.520 63.100 0.050 0.000 0.807 264 P CB 0.094 31.819 31.700 0.041 0.000 1.150 265 V N -0.041 119.915 119.914 0.070 0.000 2.604 265 V HA 0.428 4.548 4.120 -0.000 0.000 0.305 265 V C -0.049 176.057 176.094 0.019 0.000 1.043 265 V CA -0.153 62.154 62.300 0.012 0.000 0.888 265 V CB 2.123 33.931 31.823 -0.024 0.000 0.995 265 V HN -0.103 nan 8.190 nan 0.000 0.429 266 T N 3.946 118.450 114.554 -0.082 0.000 2.848 266 T HA 0.618 4.968 4.350 -0.000 0.000 0.285 266 T C -1.251 173.273 174.700 -0.292 0.000 0.995 266 T CA -0.348 61.732 62.100 -0.034 0.000 0.970 266 T CB 1.048 69.985 68.868 0.116 0.000 0.976 266 T HN 0.409 nan 8.240 nan 0.000 0.441 267 Y N 1.268 121.564 120.300 -0.007 0.000 2.341 267 Y HA 0.637 5.187 4.550 -0.000 0.000 0.337 267 Y C 0.696 176.584 175.900 -0.020 0.000 1.014 267 Y CA -0.437 57.647 58.100 -0.026 0.000 1.111 267 Y CB 1.914 40.424 38.460 0.084 0.000 1.194 267 Y HN 0.570 nan 8.280 nan 0.000 0.462 268 S N 1.272 116.990 115.700 0.030 0.000 2.569 268 S HA 0.546 5.016 4.470 -0.000 0.000 0.280 268 S C -0.558 174.001 174.600 -0.069 0.000 1.111 268 S CA -0.807 57.393 58.200 0.000 0.000 0.887 268 S CB 0.874 64.060 63.200 -0.023 0.000 1.095 268 S HN 0.718 nan 8.310 nan 0.000 0.476 269 T N 1.808 116.348 114.554 -0.023 0.000 2.868 269 T HA 0.332 4.682 4.350 -0.000 0.000 0.292 269 T C 0.847 175.499 174.700 -0.080 0.000 1.028 269 T CA -0.069 62.002 62.100 -0.049 0.000 1.059 269 T CB 0.126 69.010 68.868 0.026 0.000 0.991 269 T HN 0.620 nan 8.240 nan 0.000 0.531 270 Y N 1.344 121.638 120.300 -0.010 0.000 2.224 270 Y HA 0.055 4.605 4.550 -0.000 0.000 0.289 270 Y C 2.816 178.734 175.900 0.029 0.000 1.146 270 Y CA 1.756 59.851 58.100 -0.009 0.000 1.182 270 Y CB -1.022 37.399 38.460 -0.066 0.000 0.983 270 Y HN 0.891 nan 8.280 nan 0.000 0.524 271 G N -0.360 108.525 108.800 0.141 0.000 2.421 271 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.216 271 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.216 271 G C 1.685 176.627 174.900 0.070 0.000 1.171 271 G CA 1.255 46.402 45.100 0.078 0.000 0.775 271 G HN 0.219 nan 8.290 nan 0.000 0.543 272 K N 0.364 120.807 120.400 0.072 0.000 2.057 272 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 272 K C 2.029 178.672 176.600 0.071 0.000 1.050 272 K CA 0.866 57.194 56.287 0.068 0.000 0.935 272 K CB -0.797 31.740 32.500 0.061 0.000 0.715 272 K HN 0.231 nan 8.250 nan 0.000 0.439 273 F N 0.994 120.906 119.950 -0.063 0.000 2.087 273 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 273 F C 1.587 177.324 175.800 -0.106 0.000 1.100 273 F CA 1.800 59.752 58.000 -0.081 0.000 1.226 273 F CB -0.350 38.584 39.000 -0.109 0.000 0.983 273 F HN 0.018 nan 8.300 nan 0.000 0.479 274 L N -0.164 120.932 121.223 -0.211 0.000 2.046 274 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 274 L C 2.838 179.500 176.870 -0.348 0.000 1.077 274 L CA 1.172 55.696 54.840 -0.527 0.000 0.747 274 L CB -1.216 40.232 42.059 -1.018 0.000 0.896 274 L HN 0.273 nan 8.230 nan 0.000 0.432 275 A N -0.258 122.522 122.820 -0.066 0.000 1.940 275 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 275 A C 1.809 179.409 177.584 0.028 0.000 1.176 275 A CA 1.961 54.089 52.037 0.152 0.000 0.631 275 A CB -0.519 18.591 19.000 0.183 0.000 0.814 275 A HN 0.365 nan 8.150 nan 0.000 0.446 276 D N -1.238 119.127 120.400 -0.060 0.000 2.378 276 D HA 0.177 4.817 4.640 -0.000 0.000 0.222 276 D C 1.402 177.615 176.300 -0.144 0.000 0.980 276 D CA 1.263 55.216 54.000 -0.079 0.000 0.907 276 D CB -0.124 40.633 40.800 -0.071 0.000 0.899 276 D HN 0.674 nan 8.370 nan 0.000 0.527 277 G N -0.715 107.955 108.800 -0.216 0.000 2.159 277 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.227 277 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.227 277 G C 0.844 175.518 174.900 -0.378 0.000 0.986 277 G CA 0.182 45.148 45.100 -0.223 0.000 0.651 277 G HN 0.840 nan 8.290 nan 0.000 0.523 278 G N -1.501 106.838 108.800 -0.769 0.000 2.481 278 G HA2 0.007 3.967 3.960 -0.000 0.000 0.230 278 G HA3 0.007 3.967 3.960 -0.000 0.000 0.230 278 G C 0.421 174.934 174.900 -0.645 0.000 1.210 278 G CA 0.239 44.654 45.100 -1.141 0.000 0.936 278 G HN 1.568 nan 8.290 nan 0.000 0.583 279 C N 2.037 121.259 119.300 -0.131 0.000 2.482 279 C HA 0.602 5.062 4.460 -0.000 0.000 0.378 279 C C 1.292 176.315 174.990 0.054 0.000 1.284 279 C CA 0.244 59.341 59.018 0.130 0.000 1.826 279 C CB -0.504 27.344 27.740 0.181 0.000 2.473 279 C HN 1.144 nan 8.230 nan 0.000 0.562 280 S N 2.925 118.684 115.700 0.097 0.000 2.489 280 S HA 0.495 4.965 4.470 -0.000 0.000 0.277 280 S C 0.428 175.055 174.600 0.045 0.000 1.230 280 S CA -0.402 57.826 58.200 0.047 0.000 1.053 280 S CB 0.922 64.144 63.200 0.037 0.000 0.955 280 S HN 1.062 nan 8.310 nan 0.000 0.488 281 G N 1.382 110.191 108.800 0.015 0.000 2.287 281 G HA2 0.396 4.356 3.960 -0.000 0.000 0.235 281 G HA3 0.396 4.356 3.960 -0.000 0.000 0.235 281 G C 1.232 176.125 174.900 -0.012 0.000 1.258 281 G CA -0.203 44.901 45.100 0.006 0.000 0.884 281 G HN 2.065 nan 8.290 nan 0.000 0.518 282 G N 0.956 109.751 108.800 -0.009 0.000 2.189 282 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.267 282 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.267 282 G C 1.394 176.238 174.900 -0.094 0.000 0.975 282 G CA 1.304 46.383 45.100 -0.034 0.000 0.644 282 G HN 1.784 nan 8.290 nan 0.000 0.537 283 A N -1.328 121.409 122.820 -0.140 0.000 2.016 283 A HA 0.537 4.857 4.320 -0.000 0.000 0.217 283 A C 0.739 177.892 177.584 -0.717 0.000 1.162 283 A CA 1.474 53.242 52.037 -0.447 0.000 0.662 283 A CB 0.047 18.729 19.000 -0.532 0.000 0.812 283 A HN 0.886 nan 8.150 nan 0.000 0.450 284 Y N -1.585 118.717 120.300 0.003 0.000 2.524 284 Y HA 0.369 4.918 4.550 -0.000 0.000 0.347 284 Y C 0.164 176.056 175.900 -0.012 0.000 1.005 284 Y CA -1.231 56.861 58.100 -0.012 0.000 1.025 284 Y CB 1.476 39.916 38.460 -0.033 0.000 1.275 284 Y HN 0.062 nan 8.280 nan 0.000 0.460 285 D N 1.406 121.884 120.400 0.131 0.000 2.240 285 D HA 0.157 4.796 4.640 -0.000 0.000 0.206 285 D C 0.059 176.317 176.300 -0.070 0.000 0.963 285 D CA 1.336 55.366 54.000 0.050 0.000 0.863 285 D CB 1.050 41.918 40.800 0.113 0.000 0.973 285 D HN 0.349 nan 8.370 nan 0.000 0.501 286 I N 1.267 121.774 120.570 -0.105 0.000 2.533 286 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 286 I C -0.709 175.280 176.117 -0.213 0.000 1.056 286 I CA -0.630 60.512 61.300 -0.265 0.000 1.057 286 I CB 2.803 40.480 38.000 -0.537 0.000 1.240 286 I HN -0.331 nan 8.210 nan 0.000 0.423 287 I N 6.757 127.193 120.570 -0.224 0.000 2.382 287 I HA 0.426 4.596 4.170 -0.000 0.000 0.286 287 I C -0.480 175.484 176.117 -0.255 0.000 1.002 287 I CA -0.457 60.682 61.300 -0.268 0.000 1.135 287 I CB 1.779 39.641 38.000 -0.229 0.000 1.288 287 I HN 0.358 nan 8.210 nan 0.000 0.448 288 I N 5.681 126.088 120.570 -0.272 0.000 2.307 288 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 288 I C -0.341 175.652 176.117 -0.207 0.000 1.021 288 I CA -0.418 60.758 61.300 -0.206 0.000 1.224 288 I CB 1.154 39.049 38.000 -0.176 0.000 1.376 288 I HN 0.560 nan 8.210 nan 0.000 0.470 289 C N 4.973 124.197 119.300 -0.126 0.000 2.252 289 C HA 0.192 4.652 4.460 -0.000 0.000 0.342 289 C C 0.589 175.615 174.990 0.060 0.000 1.110 289 C CA -0.483 58.532 59.018 -0.006 0.000 1.581 289 C CB -1.087 26.693 27.740 0.067 0.000 2.087 289 C HN 0.596 nan 8.230 nan 0.000 0.500 290 D N 2.164 122.589 120.400 0.042 0.000 2.313 290 D HA 0.115 4.755 4.640 -0.000 0.000 0.247 290 D C 0.572 176.967 176.300 0.157 0.000 1.094 290 D CA 0.379 54.422 54.000 0.072 0.000 0.925 290 D CB 0.682 41.498 40.800 0.026 0.000 1.188 290 D HN 0.574 nan 8.370 nan 0.000 0.430 291 E N 1.429 121.721 120.200 0.154 0.000 2.228 291 E HA -0.229 4.121 4.350 -0.000 0.000 0.213 291 E C 1.229 177.781 176.600 -0.080 0.000 1.282 291 E CA 0.670 57.133 56.400 0.104 0.000 0.707 291 E CB -2.408 27.326 29.700 0.056 0.000 1.150 291 E HN 0.577 nan 8.360 nan 0.000 0.362 292 C N -1.132 118.203 119.300 0.059 0.000 2.511 292 C HA 0.003 4.463 4.460 -0.000 0.000 0.277 292 C C 2.146 177.136 174.990 -0.000 0.000 1.451 292 C CA 0.468 59.492 59.018 0.011 0.000 1.735 292 C CB -1.132 26.646 27.740 0.064 0.000 1.704 292 C HN 0.643 nan 8.230 nan 0.000 0.571 293 H N 0.359 119.457 119.070 0.046 0.000 2.547 293 H HA 0.140 4.696 4.556 -0.000 0.000 0.272 293 H C 0.565 175.906 175.328 0.022 0.000 0.989 293 H CA 0.678 56.752 56.048 0.044 0.000 1.214 293 H CB -0.602 29.177 29.762 0.029 0.000 1.389 293 H HN 0.425 nan 8.280 nan 0.000 0.577 294 S N 1.878 117.193 115.700 -0.642 0.000 2.549 294 S HA 0.081 4.551 4.470 -0.000 0.000 0.286 294 S C 1.038 175.470 174.600 -0.279 0.000 1.314 294 S CA 0.404 58.343 58.200 -0.436 0.000 1.062 294 S CB 0.962 63.917 63.200 -0.408 0.000 0.865 294 S HN 0.671 nan 8.310 nan 0.000 0.498 295 T N -1.487 112.932 114.554 -0.226 0.000 3.228 295 T HA 0.129 4.479 4.350 -0.000 0.000 0.278 295 T C 0.060 174.538 174.700 -0.370 0.000 1.014 295 T CA -0.802 61.081 62.100 -0.361 0.000 0.904 295 T CB -0.434 68.315 68.868 -0.197 0.000 1.110 295 T HN 0.711 nan 8.240 nan 0.000 0.541 296 D N 1.446 121.672 120.400 -0.290 0.000 2.339 296 D HA 0.063 4.702 4.640 -0.000 0.000 0.245 296 D C 1.337 177.441 176.300 -0.327 0.000 1.115 296 D CA 0.018 53.868 54.000 -0.250 0.000 0.917 296 D CB 1.680 42.377 40.800 -0.173 0.000 1.192 296 D HN 0.250 nan 8.370 nan 0.000 0.428 297 S N 1.752 117.287 115.700 -0.276 0.000 2.383 297 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 297 S C 1.746 176.192 174.600 -0.257 0.000 1.030 297 S CA 1.570 59.599 58.200 -0.285 0.000 1.002 297 S CB -0.878 62.192 63.200 -0.218 0.000 0.829 297 S HN 0.642 nan 8.310 nan 0.000 0.467 298 T N 2.162 116.602 114.554 -0.190 0.000 2.708 298 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 298 T C 2.037 176.587 174.700 -0.250 0.000 1.037 298 T CA 1.940 63.959 62.100 -0.135 0.000 1.146 298 T CB -1.083 67.752 68.868 -0.055 0.000 0.865 298 T HN 0.574 nan 8.240 nan 0.000 0.435 299 T N 2.091 116.417 114.554 -0.380 0.000 2.746 299 T HA 0.017 4.367 4.350 -0.000 0.000 0.267 299 T C 2.007 176.333 174.700 -0.623 0.000 1.039 299 T CA 0.939 62.592 62.100 -0.745 0.000 1.142 299 T CB -0.445 68.019 68.868 -0.673 0.000 0.866 299 T HN 0.282 nan 8.240 nan 0.000 0.444 300 I N 0.561 120.810 120.570 -0.535 0.000 2.142 300 I HA -0.145 4.025 4.170 -0.000 0.000 0.240 300 I C 2.294 178.143 176.117 -0.447 0.000 1.078 300 I CA 0.922 61.830 61.300 -0.654 0.000 1.343 300 I CB -0.339 37.097 38.000 -0.940 0.000 1.046 300 I HN 0.151 nan 8.210 nan 0.000 0.405 301 L N 0.957 121.971 121.223 -0.348 0.000 2.083 301 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 301 L C 2.265 179.064 176.870 -0.117 0.000 1.083 301 L CA 2.174 56.879 54.840 -0.226 0.000 0.752 301 L CB -1.191 40.745 42.059 -0.206 0.000 0.899 301 L HN 0.215 nan 8.230 nan 0.000 0.433 302 G N -0.492 108.242 108.800 -0.110 0.000 2.402 302 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 302 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 302 G C 1.639 176.600 174.900 0.101 0.000 1.162 302 G CA 0.994 46.155 45.100 0.103 0.000 0.777 302 G HN 0.455 nan 8.290 nan 0.000 0.539 303 I N 1.240 121.784 120.570 -0.044 0.000 2.315 303 I HA -0.061 4.109 4.170 -0.000 0.000 0.248 303 I C 3.036 179.231 176.117 0.130 0.000 1.117 303 I CA 0.875 62.205 61.300 0.051 0.000 1.404 303 I CB -0.327 37.707 38.000 0.056 0.000 1.071 303 I HN 0.252 nan 8.210 nan 0.000 0.419 304 G N 0.258 109.160 108.800 0.171 0.000 2.422 304 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.218 304 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.218 304 G C 1.640 176.599 174.900 0.098 0.000 1.146 304 G CA 1.352 46.549 45.100 0.161 0.000 0.769 304 G HN 0.275 nan 8.290 nan 0.000 0.547 305 T N 0.978 115.594 114.554 0.104 0.000 2.708 305 T HA -0.130 4.219 4.350 -0.000 0.000 0.266 305 T C 2.555 177.367 174.700 0.187 0.000 1.037 305 T CA 1.298 63.481 62.100 0.138 0.000 1.146 305 T CB -0.388 68.598 68.868 0.196 0.000 0.865 305 T HN 0.056 nan 8.240 nan 0.000 0.435 306 V N 1.719 121.756 119.914 0.205 0.000 2.252 306 V HA -0.188 3.932 4.120 -0.000 0.000 0.249 306 V C 2.507 178.653 176.094 0.087 0.000 1.056 306 V CA 1.732 64.102 62.300 0.118 0.000 1.022 306 V CB -0.768 31.035 31.823 -0.032 0.000 0.641 306 V HN 0.437 nan 8.190 nan 0.000 0.445 307 L N -0.098 121.170 121.223 0.075 0.000 2.141 307 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 307 L C 2.241 179.128 176.870 0.028 0.000 1.094 307 L CA 1.885 56.768 54.840 0.073 0.000 0.763 307 L CB -0.559 41.532 42.059 0.053 0.000 0.908 307 L HN 0.416 nan 8.230 nan 0.000 0.437 308 D N -0.783 119.632 120.400 0.026 0.000 2.213 308 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 308 D C 2.134 178.407 176.300 -0.044 0.000 0.961 308 D CA 1.000 54.994 54.000 -0.009 0.000 0.853 308 D CB 0.300 41.105 40.800 0.008 0.000 0.967 308 D HN 0.289 nan 8.370 nan 0.000 0.496 309 Q N -0.800 118.990 119.800 -0.016 0.000 2.378 309 Q HA 0.312 4.652 4.340 -0.000 0.000 0.229 309 Q C 1.983 177.954 176.000 -0.050 0.000 0.882 309 Q CA 0.374 56.163 55.803 -0.023 0.000 0.936 309 Q CB 0.519 29.276 28.738 0.032 0.000 1.092 309 Q HN 0.229 nan 8.270 nan 0.000 0.535 310 A N 1.966 124.757 122.820 -0.048 0.000 1.873 310 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 310 A C 1.937 179.433 177.584 -0.147 0.000 1.193 310 A CA 1.994 54.025 52.037 -0.011 0.000 0.629 310 A CB -0.567 18.529 19.000 0.159 0.000 0.826 310 A HN 0.432 nan 8.150 nan 0.000 0.447 311 E N -1.000 118.871 120.200 -0.548 0.000 2.058 311 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 311 E C 1.928 178.388 176.600 -0.234 0.000 0.997 311 E CA 1.809 57.855 56.400 -0.590 0.000 0.801 311 E CB -0.233 28.862 29.700 -1.008 0.000 0.746 311 E HN 0.547 nan 8.360 nan 0.000 0.450 312 T N 0.148 114.586 114.554 -0.194 0.000 2.915 312 T HA -0.018 4.332 4.350 -0.000 0.000 0.269 312 T C 1.555 176.222 174.700 -0.055 0.000 1.071 312 T CA 0.959 62.997 62.100 -0.104 0.000 1.132 312 T CB -0.087 68.728 68.868 -0.088 0.000 0.878 312 T HN 0.299 nan 8.240 nan 0.000 0.479 313 A N 0.337 123.134 122.820 -0.038 0.000 2.238 313 A HA 0.533 4.852 4.320 -0.000 0.000 0.208 313 A C 1.925 179.521 177.584 0.019 0.000 1.177 313 A CA 0.727 52.767 52.037 0.005 0.000 0.804 313 A CB -0.727 18.301 19.000 0.045 0.000 0.823 313 A HN 0.660 nan 8.150 nan 0.000 0.482 314 G N -2.119 106.684 108.800 0.006 0.000 2.175 314 G HA2 0.091 4.051 3.960 -0.000 0.000 0.244 314 G HA3 0.091 4.051 3.960 -0.000 0.000 0.244 314 G C 0.487 175.424 174.900 0.062 0.000 0.982 314 G CA 0.224 45.339 45.100 0.025 0.000 0.641 314 G HN 1.554 nan 8.290 nan 0.000 0.527 315 A N -0.399 122.477 122.820 0.095 0.000 2.366 315 A HA 0.757 5.076 4.320 -0.000 0.000 0.249 315 A C 1.203 178.908 177.584 0.201 0.000 1.084 315 A CA 0.921 53.038 52.037 0.133 0.000 0.794 315 A CB 0.320 19.417 19.000 0.160 0.000 1.034 315 A HN 0.472 nan 8.150 nan 0.000 0.491 316 R N -0.799 119.754 120.500 0.088 0.000 2.344 316 R HA 0.296 4.635 4.340 -0.000 0.000 0.209 316 R C -0.865 175.323 176.300 -0.187 0.000 0.886 316 R CA 0.035 56.159 56.100 0.041 0.000 1.040 316 R CB 0.435 30.715 30.300 -0.034 0.000 1.114 316 R HN 0.494 nan 8.270 nan 0.000 0.547 317 L N 0.539 121.608 121.223 -0.256 0.000 2.470 317 L HA 0.435 4.775 4.340 -0.000 0.000 0.268 317 L C -1.535 175.126 176.870 -0.349 0.000 0.964 317 L CA -0.811 53.776 54.840 -0.421 0.000 0.839 317 L CB 2.340 44.133 42.059 -0.444 0.000 1.276 317 L HN -0.295 nan 8.230 nan 0.000 0.403 318 V N 5.639 125.305 119.914 -0.414 0.000 2.384 318 V HA 0.564 4.684 4.120 -0.000 0.000 0.287 318 V C -0.444 175.476 176.094 -0.290 0.000 1.020 318 V CA -0.655 61.486 62.300 -0.265 0.000 0.850 318 V CB 1.852 33.586 31.823 -0.149 0.000 0.987 318 V HN 0.516 nan 8.190 nan 0.000 0.436 319 V N 6.732 126.505 119.914 -0.235 0.000 2.370 319 V HA 0.423 4.543 4.120 -0.000 0.000 0.283 319 V C -0.091 175.899 176.094 -0.173 0.000 1.023 319 V CA -0.480 61.698 62.300 -0.204 0.000 0.857 319 V CB 1.586 33.331 31.823 -0.130 0.000 0.985 319 V HN 0.637 nan 8.190 nan 0.000 0.443 320 L N 5.218 126.311 121.223 -0.217 0.000 2.270 320 L HA 0.696 5.036 4.340 -0.000 0.000 0.286 320 L C 0.444 177.320 176.870 0.010 0.000 1.059 320 L CA -0.153 54.611 54.840 -0.128 0.000 0.839 320 L CB 0.985 42.904 42.059 -0.233 0.000 1.221 320 L HN 0.718 nan 8.230 nan 0.000 0.431 321 A N 2.721 125.572 122.820 0.052 0.000 2.304 321 A HA 0.813 5.133 4.320 -0.000 0.000 0.323 321 A C -0.204 177.482 177.584 0.170 0.000 1.195 321 A CA -0.387 51.711 52.037 0.101 0.000 0.826 321 A CB 1.656 20.683 19.000 0.045 0.000 1.184 321 A HN 0.541 nan 8.150 nan 0.000 0.496 322 T N 0.204 114.886 114.554 0.214 0.000 2.886 322 T HA 0.515 4.865 4.350 -0.000 0.000 0.330 322 T C 0.508 175.273 174.700 0.108 0.000 1.488 322 T CA 0.432 62.655 62.100 0.205 0.000 1.054 322 T CB 1.259 70.285 68.868 0.264 0.000 1.348 322 T HN 1.390 nan 8.240 nan 0.000 0.489 323 A N 1.493 124.326 122.820 0.021 0.000 2.081 323 A HA 0.332 4.652 4.320 -0.000 0.000 0.214 323 A C 1.101 178.611 177.584 -0.124 0.000 1.158 323 A CA 1.206 53.225 52.037 -0.031 0.000 0.724 323 A CB -0.149 18.836 19.000 -0.026 0.000 0.826 323 A HN 1.118 nan 8.150 nan 0.000 0.463 324 T N -0.639 113.782 114.554 -0.223 0.000 3.327 324 T HA 0.494 4.844 4.350 -0.000 0.000 0.373 324 T C -2.963 171.601 174.700 -0.227 0.000 1.589 324 T CA -1.931 60.011 62.100 -0.262 0.000 1.497 324 T CB 1.360 70.016 68.868 -0.354 0.000 1.032 324 T HN 0.098 nan 8.240 nan 0.000 0.640 325 P HA 0.367 nan 4.420 nan 0.000 0.274 325 P C -2.768 174.453 177.300 -0.131 0.000 1.256 325 P CA -1.796 61.171 63.100 -0.222 0.000 0.795 325 P CB -0.353 30.992 31.700 -0.591 0.000 1.038 326 P HA 0.024 nan 4.420 nan 0.000 0.264 326 P C 1.067 178.298 177.300 -0.116 0.000 1.183 326 P CA 1.663 64.731 63.100 -0.054 0.000 0.763 326 P CB -0.325 31.332 31.700 -0.072 0.000 0.807 327 G N 1.679 110.461 108.800 -0.030 0.000 2.241 327 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 327 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 327 G C 0.411 175.328 174.900 0.028 0.000 0.998 327 G CA 0.238 45.342 45.100 0.006 0.000 0.621 327 G HN 0.814 nan 8.290 nan 0.000 0.519 328 S N -0.140 115.545 115.700 -0.026 0.000 2.579 328 S HA 0.668 5.138 4.470 -0.000 0.000 0.275 328 S C 0.417 175.006 174.600 -0.019 0.000 1.345 328 S CA 0.281 58.452 58.200 -0.048 0.000 1.031 328 S CB 1.971 65.110 63.200 -0.102 0.000 0.892 328 S HN 1.940 nan 8.310 nan 0.000 0.529 329 V N -1.167 118.729 119.914 -0.031 0.000 3.001 329 V HA 0.691 4.810 4.120 -0.000 0.000 0.314 329 V C -0.106 175.959 176.094 -0.048 0.000 1.099 329 V CA -0.926 61.358 62.300 -0.027 0.000 0.989 329 V CB 1.351 33.167 31.823 -0.013 0.000 1.040 329 V HN 0.891 nan 8.190 nan 0.000 0.434 330 T N 3.509 118.029 114.554 -0.055 0.000 2.752 330 T HA 0.497 4.847 4.350 -0.000 0.000 0.295 330 T C 0.097 174.762 174.700 -0.058 0.000 0.923 330 T CA 0.105 62.163 62.100 -0.070 0.000 1.112 330 T CB 0.500 69.309 68.868 -0.098 0.000 0.884 330 T HN 1.259 nan 8.240 nan 0.000 0.525 331 V N 2.809 122.693 119.914 -0.049 0.000 2.834 331 V HA 0.696 4.816 4.120 -0.000 0.000 0.313 331 V C -2.459 173.622 176.094 -0.021 0.000 1.060 331 V CA -2.784 59.493 62.300 -0.038 0.000 0.989 331 V CB 0.393 32.190 31.823 -0.043 0.000 1.041 331 V HN 0.502 nan 8.190 nan 0.000 0.459 332 P HA 0.148 nan 4.420 nan 0.000 0.266 332 P C -0.823 176.506 177.300 0.049 0.000 1.193 332 P CA 0.476 63.593 63.100 0.027 0.000 0.770 332 P CB 0.030 31.744 31.700 0.024 0.000 0.836 333 H N 3.800 122.862 119.070 -0.013 0.000 2.489 333 H HA 0.231 4.787 4.556 -0.000 0.000 0.343 333 H C -1.827 173.507 175.328 0.011 0.000 1.086 333 H CA -2.278 53.766 56.048 -0.007 0.000 1.198 333 H CB 1.896 31.648 29.762 -0.017 0.000 1.490 333 H HN 0.231 nan 8.280 nan 0.000 0.504 334 P HA -0.091 nan 4.420 nan 0.000 0.219 334 P C 0.662 178.101 177.300 0.231 0.000 1.150 334 P CA 0.738 63.931 63.100 0.156 0.000 0.814 334 P CB 0.723 32.449 31.700 0.044 0.000 0.787 335 N N -0.056 118.891 118.700 0.412 0.000 2.459 335 N HA 0.024 4.764 4.740 -0.000 0.000 0.181 335 N C 0.708 176.254 175.510 0.060 0.000 1.046 335 N CA 0.603 53.754 53.050 0.168 0.000 0.904 335 N CB -0.118 38.425 38.487 0.093 0.000 0.964 335 N HN 0.316 nan 8.380 nan 0.000 0.444 336 I N 0.681 121.295 120.570 0.073 0.000 2.382 336 I HA 0.161 4.330 4.170 -0.000 0.000 0.286 336 I C 0.126 176.307 176.117 0.107 0.000 1.002 336 I CA -0.664 60.662 61.300 0.043 0.000 1.135 336 I CB 1.934 39.910 38.000 -0.041 0.000 1.288 336 I HN -0.125 nan 8.210 nan 0.000 0.448 337 E N 7.010 127.279 120.200 0.115 0.000 2.194 337 E HA 0.217 4.567 4.350 -0.000 0.000 0.284 337 E C -0.782 175.929 176.600 0.185 0.000 1.035 337 E CA -0.426 56.050 56.400 0.127 0.000 0.836 337 E CB 0.859 30.616 29.700 0.094 0.000 1.070 337 E HN 0.513 nan 8.360 nan 0.000 0.401 338 E N 3.063 123.400 120.200 0.227 0.000 2.156 338 E HA 0.350 4.700 4.350 -0.000 0.000 0.279 338 E C -1.095 175.677 176.600 0.287 0.000 0.965 338 E CA -0.769 55.854 56.400 0.371 0.000 0.789 338 E CB 2.085 32.064 29.700 0.465 0.000 1.098 338 E HN 0.195 nan 8.360 nan 0.000 0.397 339 V N 2.219 122.215 119.914 0.138 0.000 2.488 339 V HA 0.327 4.447 4.120 -0.000 0.000 0.293 339 V C 0.041 175.776 176.094 -0.599 0.000 1.027 339 V CA -0.993 61.235 62.300 -0.121 0.000 0.862 339 V CB 1.488 33.255 31.823 -0.092 0.000 1.008 339 V HN 0.838 nan 8.190 nan 0.000 0.428 340 A N 5.675 127.997 122.820 -0.831 0.000 2.531 340 A HA 0.480 4.800 4.320 -0.000 0.000 0.236 340 A C 0.105 177.357 177.584 -0.553 0.000 1.062 340 A CA 0.116 51.470 52.037 -1.138 0.000 0.760 340 A CB 0.069 18.753 19.000 -0.527 0.000 0.995 340 A HN 0.830 nan 8.150 nan 0.000 0.501 341 L N 2.163 123.109 121.223 -0.462 0.000 2.452 341 L HA 0.336 4.676 4.340 -0.000 0.000 0.267 341 L C 1.195 177.987 176.870 -0.131 0.000 1.188 341 L CA 0.071 54.779 54.840 -0.220 0.000 0.821 341 L CB 0.927 42.918 42.059 -0.115 0.000 1.102 341 L HN 0.999 nan 8.230 nan 0.000 0.470 342 S N 0.200 115.853 115.700 -0.080 0.000 2.837 342 S HA 0.331 4.800 4.470 -0.000 0.000 0.314 342 S C 0.226 174.817 174.600 -0.014 0.000 1.098 342 S CA -0.797 57.378 58.200 -0.042 0.000 0.903 342 S CB 1.167 64.343 63.200 -0.041 0.000 1.310 342 S HN 0.584 nan 8.310 nan 0.000 0.581 343 N N 0.009 118.706 118.700 -0.005 0.000 2.336 343 N HA 0.207 4.946 4.740 -0.000 0.000 0.189 343 N C -0.683 174.827 175.510 -0.001 0.000 1.113 343 N CA 0.170 53.223 53.050 0.005 0.000 0.858 343 N CB 0.261 38.752 38.487 0.008 0.000 0.970 343 N HN 0.488 nan 8.380 nan 0.000 0.471 344 T N 0.654 115.202 114.554 -0.011 0.000 2.780 344 T HA 0.616 4.966 4.350 -0.000 0.000 0.294 344 T C 0.420 175.109 174.700 -0.019 0.000 0.949 344 T CA -0.231 61.861 62.100 -0.014 0.000 1.074 344 T CB 1.074 69.931 68.868 -0.019 0.000 0.910 344 T HN 0.313 nan 8.240 nan 0.000 0.501 345 G N 2.727 111.518 108.800 -0.015 0.000 2.350 345 G HA2 0.226 4.186 3.960 -0.000 0.000 0.305 345 G HA3 0.226 4.186 3.960 -0.000 0.000 0.305 345 G C -0.374 174.520 174.900 -0.009 0.000 1.479 345 G CA -0.746 44.342 45.100 -0.020 0.000 0.949 345 G HN 0.453 nan 8.290 nan 0.000 0.651 346 E N -0.712 119.481 120.200 -0.013 0.000 2.415 346 E HA 0.261 4.611 4.350 -0.000 0.000 0.197 346 E C 0.891 177.493 176.600 0.003 0.000 1.007 346 E CA 0.430 56.826 56.400 -0.006 0.000 0.890 346 E CB 0.496 30.189 29.700 -0.011 0.000 0.891 346 E HN 0.510 nan 8.360 nan 0.000 0.496 347 I N 2.357 122.930 120.570 0.006 0.000 2.359 347 I HA 0.279 4.449 4.170 -0.000 0.000 0.284 347 I C -2.412 173.748 176.117 0.071 0.000 1.018 347 I CA -2.692 58.624 61.300 0.027 0.000 1.173 347 I CB 1.330 39.336 38.000 0.008 0.000 1.326 347 I HN -0.270 nan 8.210 nan 0.000 0.462 348 P HA 0.029 nan 4.420 nan 0.000 0.265 348 P C -0.890 176.531 177.300 0.202 0.000 1.193 348 P CA 0.273 63.431 63.100 0.096 0.000 0.765 348 P CB 0.224 31.949 31.700 0.042 0.000 0.823 349 F N 4.776 124.749 119.950 0.039 0.000 3.051 349 F HA 0.272 4.799 4.527 -0.000 0.000 0.363 349 F C -0.800 175.131 175.800 0.218 0.000 1.257 349 F CA -0.572 57.505 58.000 0.130 0.000 1.126 349 F CB 0.436 39.519 39.000 0.137 0.000 1.476 349 F HN 0.255 nan 8.300 nan 0.000 0.576 350 Y N 4.105 124.198 120.300 -0.345 0.000 3.168 350 Y HA -0.138 4.412 4.550 -0.000 0.000 0.207 350 Y C 1.416 177.243 175.900 -0.123 0.000 1.280 350 Y CA 1.402 59.314 58.100 -0.313 0.000 1.235 350 Y CB -1.243 36.901 38.460 -0.526 0.000 1.370 350 Y HN 1.172 nan 8.280 nan 0.000 0.537 351 G N -2.003 106.800 108.800 0.006 0.000 2.253 351 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.251 351 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.251 351 G C 0.740 175.672 174.900 0.055 0.000 0.998 351 G CA 0.507 45.622 45.100 0.024 0.000 0.621 351 G HN 0.305 nan 8.290 nan 0.000 0.524 352 K N 0.134 120.596 120.400 0.104 0.000 2.531 352 K HA 0.945 5.265 4.320 -0.000 0.000 0.265 352 K C 0.123 176.801 176.600 0.129 0.000 1.045 352 K CA 0.099 56.450 56.287 0.108 0.000 1.040 352 K CB 1.240 33.814 32.500 0.124 0.000 1.436 352 K HN 1.039 nan 8.250 nan 0.000 0.571 353 A N 0.506 123.384 122.820 0.097 0.000 2.515 353 A HA 0.680 5.000 4.320 -0.000 0.000 0.298 353 A C -1.079 176.516 177.584 0.019 0.000 1.059 353 A CA -0.692 51.389 52.037 0.074 0.000 0.698 353 A CB 0.829 19.849 19.000 0.033 0.000 1.289 353 A HN 0.506 nan 8.150 nan 0.000 0.404 354 I N 2.339 122.902 120.570 -0.011 0.000 2.339 354 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 354 I C -2.412 173.655 176.117 -0.082 0.000 0.994 354 I CA -2.193 59.048 61.300 -0.097 0.000 1.191 354 I CB 2.116 40.012 38.000 -0.172 0.000 1.343 354 I HN 0.329 nan 8.210 nan 0.000 0.458 355 P HA 0.149 nan 4.420 nan 0.000 0.271 355 P C 0.935 178.181 177.300 -0.089 0.000 1.226 355 P CA -0.049 63.007 63.100 -0.074 0.000 0.765 355 P CB 1.016 32.673 31.700 -0.071 0.000 0.835 356 I N 3.446 123.976 120.570 -0.066 0.000 2.264 356 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 356 I C 1.979 178.052 176.117 -0.074 0.000 1.111 356 I CA 1.520 62.780 61.300 -0.067 0.000 1.382 356 I CB -0.005 37.971 38.000 -0.040 0.000 1.060 356 I HN 0.426 nan 8.210 nan 0.000 0.418 357 E N 1.292 121.456 120.200 -0.061 0.000 2.268 357 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 357 E C 1.911 178.464 176.600 -0.078 0.000 0.995 357 E CA 1.206 57.576 56.400 -0.051 0.000 0.836 357 E CB -0.437 29.242 29.700 -0.034 0.000 0.763 357 E HN 0.569 nan 8.360 nan 0.000 0.491 358 A N 1.865 124.612 122.820 -0.123 0.000 2.067 358 A HA 0.014 4.333 4.320 -0.000 0.000 0.219 358 A C 2.236 179.600 177.584 -0.367 0.000 1.158 358 A CA 1.343 53.270 52.037 -0.183 0.000 0.661 358 A CB -0.532 18.355 19.000 -0.190 0.000 0.801 358 A HN 0.513 nan 8.150 nan 0.000 0.452 359 I N -5.633 114.727 120.570 -0.349 0.000 4.655 359 I HA 0.355 4.525 4.170 -0.000 0.000 0.333 359 I C 0.665 176.709 176.117 -0.122 0.000 1.312 359 I CA -0.486 60.488 61.300 -0.544 0.000 1.270 359 I CB 0.207 37.949 38.000 -0.431 0.000 1.318 359 I HN -0.001 nan 8.210 nan 0.000 0.456 360 R N 3.085 123.552 120.500 -0.055 0.000 2.343 360 R HA 0.461 4.801 4.340 -0.000 0.000 0.326 360 R C 0.250 176.592 176.300 0.070 0.000 1.055 360 R CA 1.119 57.228 56.100 0.015 0.000 0.961 360 R CB -0.091 30.207 30.300 -0.003 0.000 0.978 360 R HN 0.578 nan 8.270 nan 0.000 0.443 361 G N 2.176 111.035 108.800 0.100 0.000 2.777 361 G HA2 0.244 4.204 3.960 -0.000 0.000 0.686 361 G HA3 0.244 4.204 3.960 -0.000 0.000 0.686 361 G C 0.103 175.107 174.900 0.172 0.000 1.177 361 G CA -0.547 44.613 45.100 0.101 0.000 0.775 361 G HN 1.248 nan 8.290 nan 0.000 0.613 362 G N 0.641 109.472 108.800 0.052 0.000 2.728 362 G HA2 0.249 4.208 3.960 -0.000 0.000 0.294 362 G HA3 0.249 4.208 3.960 -0.000 0.000 0.294 362 G C -0.333 174.427 174.900 -0.234 0.000 1.342 362 G CA 0.223 45.266 45.100 -0.094 0.000 0.866 362 G HN 1.399 nan 8.290 nan 0.000 0.534 363 R N 0.647 120.885 120.500 -0.436 0.000 2.409 363 R HA 0.536 4.876 4.340 -0.000 0.000 0.313 363 R C -0.614 175.532 176.300 -0.257 0.000 0.953 363 R CA -0.773 55.190 56.100 -0.228 0.000 0.849 363 R CB 1.210 31.437 30.300 -0.123 0.000 1.171 363 R HN 0.629 nan 8.270 nan 0.000 0.458 364 H N 2.504 121.709 119.070 0.225 0.000 2.690 364 H HA 0.361 4.917 4.556 -0.000 0.000 0.368 364 H C -1.087 174.084 175.328 -0.261 0.000 1.150 364 H CA -0.997 55.086 56.048 0.059 0.000 1.174 364 H CB 2.643 32.385 29.762 -0.033 0.000 1.684 364 H HN 0.208 nan 8.280 nan 0.000 0.538 365 L N 3.106 124.064 121.223 -0.442 0.000 2.349 365 L HA 0.470 4.810 4.340 -0.000 0.000 0.278 365 L C -1.176 175.412 176.870 -0.470 0.000 0.996 365 L CA -0.361 53.986 54.840 -0.821 0.000 0.825 365 L CB 0.792 41.980 42.059 -1.451 0.000 1.243 365 L HN 0.492 nan 8.230 nan 0.000 0.412 366 I N 5.328 125.648 120.570 -0.417 0.000 2.389 366 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 366 I C -0.994 175.019 176.117 -0.172 0.000 0.999 366 I CA -0.393 60.762 61.300 -0.241 0.000 1.129 366 I CB 1.266 39.157 38.000 -0.181 0.000 1.288 366 I HN 0.445 nan 8.210 nan 0.000 0.444 367 F N 4.994 124.990 119.950 0.077 0.000 2.411 367 F HA 0.382 4.909 4.527 -0.000 0.000 0.355 367 F C 0.377 176.305 175.800 0.214 0.000 1.117 367 F CA -0.187 57.889 58.000 0.126 0.000 1.139 367 F CB 1.014 40.075 39.000 0.100 0.000 1.120 367 F HN 0.396 nan 8.300 nan 0.000 0.493 368 C N 1.761 121.291 119.300 0.383 0.000 2.562 368 C HA 0.264 4.724 4.460 -0.000 0.000 0.332 368 C C 1.604 176.772 174.990 0.297 0.000 1.201 368 C CA -0.546 58.688 59.018 0.360 0.000 1.803 368 C CB 1.283 29.252 27.740 0.381 0.000 2.328 368 C HN 1.017 nan 8.230 nan 0.000 0.500 369 H N 0.017 119.205 119.070 0.197 0.000 2.502 369 H HA 0.162 4.717 4.556 -0.000 0.000 0.283 369 H C 0.673 176.067 175.328 0.109 0.000 1.015 369 H CA 1.108 57.236 56.048 0.133 0.000 1.298 369 H CB 0.154 29.994 29.762 0.129 0.000 1.411 369 H HN 0.574 nan 8.280 nan 0.000 0.556 370 S N -1.293 114.120 115.700 -0.479 0.000 2.595 370 S HA 0.357 4.826 4.470 -0.000 0.000 0.281 370 S C 0.207 174.652 174.600 -0.258 0.000 1.117 370 S CA -1.071 56.858 58.200 -0.452 0.000 0.873 370 S CB 2.478 65.249 63.200 -0.713 0.000 1.108 370 S HN 0.080 nan 8.310 nan 0.000 0.477 371 K N 1.619 121.818 120.400 -0.336 0.000 2.063 371 K HA -0.019 4.301 4.320 -0.000 0.000 0.208 371 K C 1.912 178.301 176.600 -0.351 0.000 1.048 371 K CA 1.784 57.718 56.287 -0.588 0.000 0.928 371 K CB -0.325 31.606 32.500 -0.947 0.000 0.713 371 K HN 0.707 nan 8.250 nan 0.000 0.442 372 K N 0.614 120.867 120.400 -0.246 0.000 2.026 372 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 372 K C 2.000 178.567 176.600 -0.056 0.000 1.048 372 K CA 1.539 57.749 56.287 -0.128 0.000 0.929 372 K CB -0.021 32.416 32.500 -0.106 0.000 0.713 372 K HN -0.137 nan 8.250 nan 0.000 0.439 373 K N 0.630 120.994 120.400 -0.061 0.000 2.147 373 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 373 K C 1.851 178.503 176.600 0.087 0.000 1.049 373 K CA 1.452 57.748 56.287 0.015 0.000 0.936 373 K CB -0.410 32.122 32.500 0.054 0.000 0.722 373 K HN 0.242 nan 8.250 nan 0.000 0.446 374 C N 0.880 120.241 119.300 0.102 0.000 2.432 374 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 374 C C 2.144 177.230 174.990 0.160 0.000 1.249 374 C CA 0.944 60.063 59.018 0.169 0.000 1.725 374 C CB -0.782 27.121 27.740 0.272 0.000 2.028 374 C HN 0.559 nan 8.230 nan 0.000 0.477 375 D N 0.403 120.902 120.400 0.165 0.000 2.097 375 D HA -0.105 4.535 4.640 -0.000 0.000 0.195 375 D C 2.119 178.469 176.300 0.084 0.000 0.989 375 D CA 1.192 55.279 54.000 0.144 0.000 0.827 375 D CB -0.430 40.445 40.800 0.126 0.000 0.966 375 D HN 0.609 nan 8.370 nan 0.000 0.456 376 E N 0.151 120.388 120.200 0.062 0.000 2.012 376 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 376 E C 2.103 178.737 176.600 0.056 0.000 1.007 376 E CA 0.534 56.961 56.400 0.045 0.000 0.816 376 E CB -0.209 29.506 29.700 0.026 0.000 0.762 376 E HN 0.070 nan 8.360 nan 0.000 0.451 377 L N 1.113 122.383 121.223 0.079 0.000 2.043 377 L HA -0.190 4.149 4.340 -0.000 0.000 0.212 377 L C 2.181 179.090 176.870 0.065 0.000 1.075 377 L CA 2.134 57.028 54.840 0.091 0.000 0.752 377 L CB -0.725 41.425 42.059 0.152 0.000 0.891 377 L HN 0.102 nan 8.230 nan 0.000 0.432 378 A N -0.802 122.056 122.820 0.064 0.000 1.933 378 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 378 A C 2.431 180.035 177.584 0.035 0.000 1.175 378 A CA 1.725 53.787 52.037 0.043 0.000 0.628 378 A CB -1.031 17.995 19.000 0.044 0.000 0.814 378 A HN 0.573 nan 8.150 nan 0.000 0.444 379 A N -0.130 122.713 122.820 0.039 0.000 1.929 379 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 379 A C 2.108 179.707 177.584 0.025 0.000 1.176 379 A CA 1.878 53.933 52.037 0.030 0.000 0.628 379 A CB -0.384 18.635 19.000 0.032 0.000 0.816 379 A HN 0.587 nan 8.150 nan 0.000 0.444 380 K N -0.063 120.354 120.400 0.028 0.000 2.001 380 K HA -0.034 4.286 4.320 -0.000 0.000 0.208 380 K C 1.868 178.479 176.600 0.018 0.000 1.048 380 K CA 1.322 57.623 56.287 0.023 0.000 0.932 380 K CB -0.383 32.134 32.500 0.028 0.000 0.715 380 K HN 0.411 nan 8.250 nan 0.000 0.437 381 L N 1.017 122.251 121.223 0.019 0.000 2.043 381 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 381 L C 2.511 179.387 176.870 0.010 0.000 1.075 381 L CA 1.396 56.242 54.840 0.010 0.000 0.752 381 L CB -0.478 41.585 42.059 0.007 0.000 0.891 381 L HN 0.235 nan 8.230 nan 0.000 0.432 382 S N -0.038 115.670 115.700 0.014 0.000 2.419 382 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 382 S C 1.928 176.535 174.600 0.011 0.000 1.016 382 S CA 1.151 59.359 58.200 0.012 0.000 0.974 382 S CB -0.431 62.778 63.200 0.014 0.000 0.786 382 S HN 0.640 nan 8.310 nan 0.000 0.492 383 G N 0.784 109.591 108.800 0.011 0.000 2.534 383 G HA2 0.024 3.983 3.960 -0.000 0.000 0.217 383 G HA3 0.024 3.983 3.960 -0.000 0.000 0.217 383 G C 0.772 175.676 174.900 0.007 0.000 1.128 383 G CA 0.217 45.323 45.100 0.010 0.000 0.784 383 G HN 0.491 nan 8.290 nan 0.000 0.542 384 L N 0.584 121.811 121.223 0.006 0.000 2.984 384 L HA 0.339 4.679 4.340 -0.000 0.000 0.246 384 L C 1.599 178.471 176.870 0.004 0.000 1.268 384 L CA -0.011 54.832 54.840 0.004 0.000 1.054 384 L CB -0.147 41.912 42.059 0.001 0.000 1.393 384 L HN 0.204 nan 8.230 nan 0.000 0.532 385 G N 1.288 110.092 108.800 0.006 0.000 2.233 385 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.270 385 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.270 385 G C 0.299 175.205 174.900 0.009 0.000 1.011 385 G CA 0.165 45.269 45.100 0.007 0.000 0.762 385 G HN 0.452 nan 8.290 nan 0.000 0.511 386 I N 0.356 120.932 120.570 0.009 0.000 2.312 386 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 386 I C 0.704 176.830 176.117 0.016 0.000 1.031 386 I CA -0.805 60.503 61.300 0.013 0.000 1.293 386 I CB 0.917 38.923 38.000 0.009 0.000 1.403 386 I HN -0.016 nan 8.210 nan 0.000 0.484 387 N N 5.991 124.702 118.700 0.019 0.000 2.429 387 N HA 0.117 4.857 4.740 -0.000 0.000 0.298 387 N C -0.426 175.095 175.510 0.018 0.000 1.256 387 N CA 0.126 53.186 53.050 0.017 0.000 1.090 387 N CB 0.103 38.600 38.487 0.016 0.000 1.477 387 N HN 0.701 nan 8.380 nan 0.000 0.491 388 A N 1.963 124.790 122.820 0.012 0.000 2.324 388 A HA 0.668 4.988 4.320 -0.000 0.000 0.330 388 A C -0.398 177.187 177.584 0.002 0.000 1.165 388 A CA -0.683 51.359 52.037 0.008 0.000 0.813 388 A CB 1.051 20.057 19.000 0.009 0.000 1.197 388 A HN 0.402 nan 8.150 nan 0.000 0.484 389 V N -0.850 119.059 119.914 -0.008 0.000 2.876 389 V HA 0.928 5.048 4.120 -0.000 0.000 0.312 389 V C 0.071 176.152 176.094 -0.020 0.000 1.085 389 V CA -0.514 61.777 62.300 -0.015 0.000 0.945 389 V CB 1.196 33.006 31.823 -0.022 0.000 1.017 389 V HN 1.655 nan 8.190 nan 0.000 0.428 390 A N 3.312 126.114 122.820 -0.030 0.000 2.310 390 A HA 0.838 5.157 4.320 -0.000 0.000 0.299 390 A C -1.137 176.363 177.584 -0.141 0.000 1.147 390 A CA -0.514 51.495 52.037 -0.046 0.000 0.818 390 A CB 0.839 19.841 19.000 0.004 0.000 1.096 390 A HN 1.525 nan 8.150 nan 0.000 0.495 391 Y N 2.192 122.330 120.300 -0.269 0.000 2.457 391 Y HA 0.632 5.181 4.550 -0.000 0.000 0.343 391 Y C -1.174 174.606 175.900 -0.200 0.000 0.994 391 Y CA -0.814 57.080 58.100 -0.344 0.000 1.031 391 Y CB 1.653 39.988 38.460 -0.208 0.000 1.246 391 Y HN 0.924 nan 8.280 nan 0.000 0.449 392 Y N 1.521 121.262 120.300 -0.933 0.000 2.814 392 Y HA 0.434 4.984 4.550 -0.000 0.000 0.348 392 Y C -1.140 174.381 175.900 -0.630 0.000 1.245 392 Y CA -2.030 55.696 58.100 -0.624 0.000 1.086 392 Y CB 0.476 38.788 38.460 -0.247 0.000 1.373 392 Y HN 0.683 nan 8.280 nan 0.000 0.451 393 R N 0.753 121.233 120.500 -0.034 0.000 2.583 393 R HA 0.341 4.681 4.340 -0.000 0.000 0.274 393 R C 1.063 177.398 176.300 0.059 0.000 0.998 393 R CA 2.443 58.529 56.100 -0.023 0.000 1.081 393 R CB -0.264 30.040 30.300 0.007 0.000 0.940 393 R HN 1.348 nan 8.270 nan 0.000 0.413 394 G N 3.096 111.903 108.800 0.012 0.000 2.493 394 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.206 394 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.206 394 G C 0.024 174.926 174.900 0.004 0.000 1.109 394 G CA -0.239 44.886 45.100 0.042 0.000 0.689 394 G HN 0.471 nan 8.290 nan 0.000 0.516 395 L N 1.531 122.696 121.223 -0.097 0.000 2.453 395 L HA 0.547 4.886 4.340 -0.000 0.000 0.261 395 L C 0.398 177.306 176.870 0.064 0.000 1.179 395 L CA -0.368 54.416 54.840 -0.093 0.000 0.813 395 L CB 0.710 42.598 42.059 -0.286 0.000 1.110 395 L HN 0.390 nan 8.230 nan 0.000 0.466 396 D N -0.310 120.156 120.400 0.110 0.000 2.210 396 D HA 0.108 4.747 4.640 -0.000 0.000 0.249 396 D C 0.635 177.069 176.300 0.223 0.000 1.062 396 D CA -0.367 53.728 54.000 0.158 0.000 0.891 396 D CB 1.938 42.789 40.800 0.085 0.000 1.186 396 D HN 0.251 nan 8.370 nan 0.000 0.432 397 V N 3.124 123.153 119.914 0.191 0.000 2.594 397 V HA -0.202 3.918 4.120 -0.000 0.000 0.253 397 V C 1.839 177.942 176.094 0.014 0.000 1.069 397 V CA 2.546 64.854 62.300 0.013 0.000 1.082 397 V CB -0.734 31.089 31.823 0.001 0.000 0.680 397 V HN 0.757 nan 8.190 nan 0.000 0.469 398 S N -0.720 115.006 115.700 0.043 0.000 2.465 398 S HA -0.180 4.290 4.470 -0.000 0.000 0.241 398 S C 1.955 176.567 174.600 0.020 0.000 1.000 398 S CA 1.600 59.817 58.200 0.029 0.000 0.964 398 S CB -0.692 62.524 63.200 0.027 0.000 0.763 398 S HN 0.587 nan 8.310 nan 0.000 0.512 399 V N 0.947 120.876 119.914 0.027 0.000 2.913 399 V HA 0.218 4.338 4.120 -0.000 0.000 0.260 399 V C 0.687 176.772 176.094 -0.016 0.000 1.098 399 V CA 0.886 63.194 62.300 0.013 0.000 1.121 399 V CB -0.505 31.335 31.823 0.028 0.000 0.714 399 V HN 0.573 nan 8.190 nan 0.000 0.487 400 I N 3.529 124.071 120.570 -0.048 0.000 2.312 400 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 400 I C -2.035 174.076 176.117 -0.009 0.000 1.031 400 I CA -1.823 59.428 61.300 -0.080 0.000 1.293 400 I CB 1.260 39.107 38.000 -0.254 0.000 1.403 400 I HN 0.177 nan 8.210 nan 0.000 0.484 401 P HA 0.066 nan 4.420 nan 0.000 0.276 401 P C 0.652 177.958 177.300 0.010 0.000 1.253 401 P CA -0.258 62.844 63.100 0.003 0.000 0.766 401 P CB 0.698 32.395 31.700 -0.004 0.000 0.845 402 T N 0.695 115.259 114.554 0.018 0.000 3.160 402 T HA 0.191 4.541 4.350 -0.000 0.000 0.257 402 T C 0.664 175.343 174.700 -0.035 0.000 1.147 402 T CA 0.351 62.457 62.100 0.010 0.000 1.064 402 T CB -0.503 68.360 68.868 -0.008 0.000 0.949 402 T HN 0.269 nan 8.240 nan 0.000 0.526 403 I N -0.115 120.436 120.570 -0.032 0.000 2.894 403 I HA 0.605 4.775 4.170 -0.000 0.000 0.302 403 I C 0.441 176.538 176.117 -0.033 0.000 1.188 403 I CA -0.263 61.013 61.300 -0.040 0.000 1.014 403 I CB 2.189 40.170 38.000 -0.031 0.000 1.242 403 I HN 0.362 nan 8.210 nan 0.000 0.430 404 G N 3.033 111.811 108.800 -0.036 0.000 2.755 404 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.686 404 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.686 404 G C -0.881 174.005 174.900 -0.024 0.000 1.427 404 G CA -0.928 44.157 45.100 -0.025 0.000 0.873 404 G HN 0.650 nan 8.290 nan 0.000 0.580 405 D N -1.233 119.159 120.400 -0.013 0.000 2.383 405 D HA 0.420 5.060 4.640 -0.000 0.000 0.233 405 D C 0.762 177.069 176.300 0.013 0.000 1.233 405 D CA 1.405 55.404 54.000 -0.001 0.000 0.881 405 D CB 1.345 42.155 40.800 0.016 0.000 1.212 405 D HN 1.391 nan 8.370 nan 0.000 0.467 406 V N 0.417 120.354 119.914 0.038 0.000 2.811 406 V HA 0.116 4.236 4.120 -0.000 0.000 0.253 406 V C -1.676 174.474 176.094 0.093 0.000 1.801 406 V CA -0.741 61.591 62.300 0.052 0.000 0.886 406 V CB 1.677 33.523 31.823 0.038 0.000 1.362 406 V HN 0.232 nan 8.190 nan 0.000 0.455 407 V N 6.790 126.745 119.914 0.069 0.000 2.313 407 V HA 0.459 4.579 4.120 -0.000 0.000 0.278 407 V C 0.034 176.116 176.094 -0.021 0.000 1.017 407 V CA -0.546 61.784 62.300 0.051 0.000 0.823 407 V CB 1.575 33.416 31.823 0.031 0.000 1.010 407 V HN 0.666 nan 8.190 nan 0.000 0.443 408 V N 6.088 125.951 119.914 -0.084 0.000 2.530 408 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 408 V C 0.102 176.071 176.094 -0.207 0.000 1.048 408 V CA -0.248 61.959 62.300 -0.156 0.000 0.997 408 V CB 1.684 33.361 31.823 -0.243 0.000 0.987 408 V HN 0.600 nan 8.190 nan 0.000 0.477 409 V N 4.775 124.622 119.914 -0.110 0.000 2.350 409 V HA 0.847 4.967 4.120 -0.000 0.000 0.285 409 V C 0.242 176.326 176.094 -0.017 0.000 1.014 409 V CA -0.281 61.981 62.300 -0.063 0.000 0.831 409 V CB 1.044 32.884 31.823 0.028 0.000 1.000 409 V HN 1.010 nan 8.190 nan 0.000 0.433 410 A N 3.494 126.273 122.820 -0.068 0.000 2.515 410 A HA 0.954 5.274 4.320 -0.000 0.000 0.296 410 A C 0.105 177.778 177.584 0.149 0.000 1.094 410 A CA -0.232 51.826 52.037 0.037 0.000 0.718 410 A CB 1.962 20.950 19.000 -0.021 0.000 1.307 410 A HN 0.811 nan 8.150 nan 0.000 0.408 411 T N -1.732 112.961 114.554 0.232 0.000 2.867 411 T HA 0.334 4.684 4.350 -0.000 0.000 0.286 411 T C 0.127 175.051 174.700 0.374 0.000 1.022 411 T CA 0.114 62.378 62.100 0.273 0.000 0.933 411 T CB 0.301 69.269 68.868 0.166 0.000 1.280 411 T HN 0.401 nan 8.240 nan 0.000 0.566 412 D N 0.099 120.684 120.400 0.308 0.000 2.350 412 D HA 0.054 4.693 4.640 -0.000 0.000 0.216 412 D C 2.167 178.625 176.300 0.263 0.000 0.968 412 D CA 0.906 55.081 54.000 0.290 0.000 0.894 412 D CB -0.599 40.284 40.800 0.139 0.000 0.909 412 D HN 0.687 nan 8.370 nan 0.000 0.520 413 A N 0.739 123.696 122.820 0.229 0.000 2.076 413 A HA -0.175 4.144 4.320 -0.000 0.000 0.220 413 A C 2.145 179.964 177.584 0.391 0.000 1.160 413 A CA 0.749 52.920 52.037 0.223 0.000 0.653 413 A CB -0.576 18.484 19.000 0.100 0.000 0.801 413 A HN 0.284 nan 8.150 nan 0.000 0.455 414 L N -1.377 120.121 121.223 0.459 0.000 2.013 414 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 414 L C 2.476 179.542 176.870 0.326 0.000 1.073 414 L CA 2.555 57.644 54.840 0.414 0.000 0.753 414 L CB -0.330 41.887 42.059 0.263 0.000 0.890 414 L HN 0.397 nan 8.230 nan 0.000 0.432 415 M N -0.824 118.966 119.600 0.317 0.000 2.106 415 M HA -0.220 4.259 4.480 -0.000 0.000 0.259 415 M C 2.071 178.479 176.300 0.181 0.000 1.068 415 M CA 2.517 57.964 55.300 0.246 0.000 1.100 415 M CB -0.521 32.202 32.600 0.205 0.000 1.351 415 M HN 0.608 nan 8.290 nan 0.000 0.404 416 T N -4.559 110.098 114.554 0.172 0.000 3.057 416 T HA 0.208 4.558 4.350 -0.000 0.000 0.254 416 T C 1.671 176.444 174.700 0.123 0.000 1.094 416 T CA 0.669 62.842 62.100 0.123 0.000 1.088 416 T CB -0.336 68.591 68.868 0.099 0.000 0.934 416 T HN 0.418 nan 8.240 nan 0.000 0.497 417 G N -0.594 108.320 108.800 0.190 0.000 2.833 417 G HA2 0.297 4.257 3.960 -0.000 0.000 0.210 417 G HA3 0.297 4.257 3.960 -0.000 0.000 0.210 417 G C -0.296 174.678 174.900 0.124 0.000 1.139 417 G CA -0.345 44.867 45.100 0.186 0.000 0.771 417 G HN 0.564 nan 8.290 nan 0.000 0.535 418 Y N 2.061 122.338 120.300 -0.038 0.000 2.361 418 Y HA 0.482 5.032 4.550 -0.000 0.000 0.328 418 Y C -0.284 175.593 175.900 -0.039 0.000 1.044 418 Y CA -1.099 56.944 58.100 -0.095 0.000 1.085 418 Y CB 1.592 39.937 38.460 -0.193 0.000 1.194 418 Y HN 0.061 nan 8.280 nan 0.000 0.438 419 T N 2.122 116.417 114.554 -0.433 0.000 2.882 419 T HA 0.885 5.235 4.350 -0.000 0.000 0.287 419 T C 0.128 174.500 174.700 -0.547 0.000 0.992 419 T CA 0.040 61.946 62.100 -0.324 0.000 1.076 419 T CB 1.347 70.035 68.868 -0.299 0.000 0.961 419 T HN 1.547 nan 8.240 nan 0.000 0.490 420 G N 2.356 111.064 108.800 -0.153 0.000 2.316 420 G HA2 0.391 4.351 3.960 -0.000 0.000 0.468 420 G HA3 0.391 4.351 3.960 -0.000 0.000 0.468 420 G C -1.508 173.450 174.900 0.097 0.000 1.523 420 G CA -0.408 44.639 45.100 -0.087 0.000 0.972 420 G HN 1.133 nan 8.290 nan 0.000 0.667 421 D N -1.059 119.290 120.400 -0.086 0.000 2.467 421 D HA 0.870 5.510 4.640 -0.000 0.000 0.245 421 D C -0.570 175.523 176.300 -0.345 0.000 1.038 421 D CA -0.924 53.072 54.000 -0.006 0.000 1.038 421 D CB 1.548 42.371 40.800 0.038 0.000 1.278 421 D HN 0.388 nan 8.370 nan 0.000 0.564 422 F N -1.189 118.771 119.950 0.017 0.000 2.629 422 F HA 0.275 4.802 4.527 -0.000 0.000 0.316 422 F C 0.627 176.404 175.800 -0.039 0.000 1.081 422 F CA -0.927 57.055 58.000 -0.031 0.000 0.954 422 F CB 1.911 40.893 39.000 -0.030 0.000 1.337 422 F HN 0.223 nan 8.300 nan 0.000 0.474 423 D N -0.105 120.336 120.400 0.069 0.000 2.183 423 D HA -0.004 4.636 4.640 -0.000 0.000 0.203 423 D C 0.556 176.932 176.300 0.127 0.000 0.969 423 D CA 1.186 55.200 54.000 0.023 0.000 0.842 423 D CB 0.124 40.860 40.800 -0.107 0.000 0.957 423 D HN 0.344 nan 8.370 nan 0.000 0.484 424 S N -0.841 114.989 115.700 0.217 0.000 2.579 424 S HA 0.579 5.049 4.470 -0.000 0.000 0.272 424 S C -1.064 173.650 174.600 0.190 0.000 1.141 424 S CA -0.866 57.480 58.200 0.244 0.000 0.843 424 S CB 2.391 65.764 63.200 0.288 0.000 1.122 424 S HN -0.175 nan 8.310 nan 0.000 0.468 425 V N 2.257 122.272 119.914 0.168 0.000 2.588 425 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 425 V C -0.773 175.338 176.094 0.028 0.000 1.042 425 V CA -0.650 61.737 62.300 0.145 0.000 0.877 425 V CB 1.496 33.539 31.823 0.365 0.000 0.996 425 V HN 0.897 nan 8.190 nan 0.000 0.425 426 I N 3.604 124.136 120.570 -0.064 0.000 2.406 426 I HA 0.502 4.672 4.170 -0.000 0.000 0.290 426 I C -1.123 174.983 176.117 -0.018 0.000 0.999 426 I CA -0.357 60.821 61.300 -0.203 0.000 1.124 426 I CB 1.996 39.743 38.000 -0.422 0.000 1.289 426 I HN 0.516 nan 8.210 nan 0.000 0.441 427 D N 5.088 125.507 120.400 0.031 0.000 2.492 427 D HA 0.218 4.857 4.640 -0.000 0.000 0.248 427 D C 0.758 177.212 176.300 0.255 0.000 1.101 427 D CA -0.681 53.456 54.000 0.228 0.000 0.840 427 D CB 1.830 42.754 40.800 0.207 0.000 1.209 427 D HN 0.718 nan 8.370 nan 0.000 0.524 428 C N 2.633 122.035 119.300 0.170 0.000 2.449 428 C HA 0.084 4.544 4.460 -0.000 0.000 0.283 428 C C 1.059 175.898 174.990 -0.251 0.000 1.453 428 C CA 0.124 58.891 59.018 -0.419 0.000 1.779 428 C CB -1.783 25.103 27.740 -1.424 0.000 1.779 428 C HN 0.857 nan 8.230 nan 0.000 0.546 429 N N 0.657 119.325 118.700 -0.054 0.000 2.753 429 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 429 N C 0.043 175.524 175.510 -0.048 0.000 1.097 429 N CA 1.202 54.246 53.050 -0.011 0.000 0.786 429 N CB -1.722 36.788 38.487 0.039 0.000 1.137 429 N HN 0.941 nan 8.380 nan 0.000 0.566 430 T N -3.819 110.682 114.554 -0.089 0.000 2.916 430 T HA 0.823 5.173 4.350 -0.000 0.000 0.292 430 T C -0.397 174.312 174.700 0.015 0.000 1.064 430 T CA -0.709 61.363 62.100 -0.047 0.000 1.011 430 T CB 2.505 71.323 68.868 -0.082 0.000 1.152 430 T HN 0.120 nan 8.240 nan 0.000 0.510 431 C N 0.963 120.290 119.300 0.046 0.000 2.888 431 C HA 0.714 5.174 4.460 -0.000 0.000 0.308 431 C C -0.254 174.797 174.990 0.101 0.000 1.213 431 C CA -0.743 58.319 59.018 0.075 0.000 1.461 431 C CB 1.801 29.566 27.740 0.043 0.000 1.934 431 C HN 0.900 nan 8.230 nan 0.000 0.474 432 V N 2.299 122.285 119.914 0.120 0.000 2.407 432 V HA 0.684 4.804 4.120 -0.000 0.000 0.278 432 V C 0.370 176.512 176.094 0.080 0.000 1.037 432 V CA 0.400 62.770 62.300 0.118 0.000 0.900 432 V CB 1.660 33.557 31.823 0.122 0.000 0.983 432 V HN 0.987 nan 8.190 nan 0.000 0.459 433 T N 4.473 119.074 114.554 0.077 0.000 2.896 433 T HA 0.492 4.842 4.350 -0.000 0.000 0.297 433 T C -1.011 173.738 174.700 0.081 0.000 1.108 433 T CA -0.526 61.617 62.100 0.071 0.000 1.004 433 T CB 1.885 70.794 68.868 0.068 0.000 1.159 433 T HN 0.706 nan 8.240 nan 0.000 0.499 434 Q N 1.593 121.447 119.800 0.091 0.000 2.282 434 Q HA 0.626 4.966 4.340 -0.000 0.000 0.260 434 Q C -0.713 175.358 176.000 0.119 0.000 0.964 434 Q CA -0.823 55.052 55.803 0.120 0.000 0.880 434 Q CB 1.975 30.812 28.738 0.165 0.000 1.286 434 Q HN 0.803 nan 8.270 nan 0.000 0.445 435 T N -1.966 112.653 114.554 0.109 0.000 2.909 435 T HA 0.520 4.870 4.350 -0.000 0.000 0.299 435 T C -0.819 173.923 174.700 0.070 0.000 1.073 435 T CA -0.767 61.384 62.100 0.085 0.000 0.999 435 T CB 1.541 70.440 68.868 0.052 0.000 1.098 435 T HN 0.353 nan 8.240 nan 0.000 0.477 436 V N 1.503 121.438 119.914 0.035 0.000 2.567 436 V HA 0.592 4.711 4.120 -0.000 0.000 0.289 436 V C -0.984 174.946 176.094 -0.274 0.000 1.049 436 V CA -0.311 61.957 62.300 -0.054 0.000 0.969 436 V CB 1.339 33.163 31.823 0.002 0.000 0.995 436 V HN 1.070 nan 8.190 nan 0.000 0.471 437 D N 4.797 125.055 120.400 -0.236 0.000 2.492 437 D HA 0.334 4.974 4.640 -0.000 0.000 0.248 437 D C -0.633 175.518 176.300 -0.247 0.000 1.101 437 D CA -0.356 53.493 54.000 -0.251 0.000 0.840 437 D CB 1.045 41.812 40.800 -0.055 0.000 1.209 437 D HN 0.421 nan 8.370 nan 0.000 0.524 438 F N 2.581 122.546 119.950 0.026 0.000 2.661 438 F HA 0.106 4.633 4.527 -0.000 0.000 0.356 438 F C 1.929 177.736 175.800 0.011 0.000 1.244 438 F CA -0.415 57.574 58.000 -0.020 0.000 1.290 438 F CB 0.059 38.936 39.000 -0.206 0.000 1.677 438 F HN 0.304 nan 8.300 nan 0.000 0.649 439 S N 0.421 116.216 115.700 0.158 0.000 2.496 439 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 439 S C 0.998 175.647 174.600 0.082 0.000 0.996 439 S CA -0.064 58.193 58.200 0.094 0.000 0.927 439 S CB -0.391 62.848 63.200 0.065 0.000 0.774 439 S HN 0.633 nan 8.310 nan 0.000 0.524 440 L N 1.529 122.815 121.223 0.104 0.000 3.717 440 L HA -0.166 4.174 4.340 -0.000 0.000 0.414 440 L C -0.890 176.004 176.870 0.039 0.000 1.228 440 L CA 0.737 55.618 54.840 0.070 0.000 0.918 440 L CB -2.238 39.851 42.059 0.049 0.000 1.865 440 L HN 0.577 nan 8.230 nan 0.000 0.922 441 D N -1.676 118.743 120.400 0.031 0.000 2.938 441 D HA 0.283 4.923 4.640 -0.000 0.000 0.369 441 D C -1.471 174.818 176.300 -0.017 0.000 1.301 441 D CA -1.116 52.888 54.000 0.007 0.000 0.805 441 D CB 0.473 41.279 40.800 0.010 0.000 1.161 441 D HN 0.168 nan 8.370 nan 0.000 0.474 442 P HA 0.049 nan 4.420 nan 0.000 0.252 442 P C 0.725 178.039 177.300 0.023 0.000 1.211 442 P CA 0.605 63.700 63.100 -0.009 0.000 0.824 442 P CB 1.081 32.765 31.700 -0.027 0.000 1.077 443 T N -2.264 112.305 114.554 0.025 0.000 3.216 443 T HA 0.394 4.744 4.350 -0.000 0.000 0.167 443 T C 0.268 175.116 174.700 0.247 0.000 0.905 443 T CA -0.159 62.016 62.100 0.125 0.000 1.042 443 T CB -0.251 68.681 68.868 0.106 0.000 1.787 443 T HN 0.031 nan 8.240 nan 0.000 0.355 444 F N 0.697 120.771 119.950 0.208 0.000 2.640 444 F HA 0.896 5.423 4.527 -0.000 0.000 0.324 444 F C -1.235 174.653 175.800 0.145 0.000 1.077 444 F CA -1.100 57.016 58.000 0.192 0.000 0.965 444 F CB 1.573 40.754 39.000 0.302 0.000 1.351 444 F HN 0.290 nan 8.300 nan 0.000 0.487 445 T N 2.893 117.610 114.554 0.270 0.000 2.886 445 T HA 0.546 4.895 4.350 -0.000 0.000 0.292 445 T C -1.022 173.799 174.700 0.201 0.000 1.012 445 T CA -0.434 61.748 62.100 0.137 0.000 0.982 445 T CB 1.622 70.533 68.868 0.072 0.000 1.018 445 T HN 0.455 nan 8.240 nan 0.000 0.451 446 I N 3.056 123.710 120.570 0.140 0.000 2.312 446 I HA 0.393 4.563 4.170 -0.000 0.000 0.290 446 I C 0.445 176.618 176.117 0.094 0.000 1.008 446 I CA -0.585 60.780 61.300 0.109 0.000 1.226 446 I CB 1.064 39.053 38.000 -0.019 0.000 1.371 446 I HN 0.675 nan 8.210 nan 0.000 0.468 447 E N 3.785 124.042 120.200 0.094 0.000 2.191 447 E HA 0.488 4.838 4.350 -0.000 0.000 0.274 447 E C -0.666 175.989 176.600 0.092 0.000 0.948 447 E CA -0.547 55.901 56.400 0.081 0.000 0.802 447 E CB 1.945 31.681 29.700 0.060 0.000 1.137 447 E HN 0.418 nan 8.360 nan 0.000 0.397 448 T N 1.986 116.591 114.554 0.084 0.000 2.779 448 T HA 0.479 4.829 4.350 -0.000 0.000 0.280 448 T C -0.442 174.302 174.700 0.074 0.000 0.987 448 T CA -0.680 61.470 62.100 0.084 0.000 0.966 448 T CB 1.130 70.047 68.868 0.082 0.000 0.933 448 T HN 0.593 nan 8.240 nan 0.000 0.442 449 T N -0.331 114.267 114.554 0.074 0.000 2.896 449 T HA 0.627 4.977 4.350 -0.000 0.000 0.297 449 T C -0.543 174.201 174.700 0.075 0.000 1.108 449 T CA -0.823 61.317 62.100 0.066 0.000 1.004 449 T CB 1.649 70.549 68.868 0.053 0.000 1.159 449 T HN 0.316 nan 8.240 nan 0.000 0.499 450 T N 2.047 116.641 114.554 0.066 0.000 2.767 450 T HA 0.650 5.000 4.350 -0.000 0.000 0.288 450 T C 0.199 174.915 174.700 0.026 0.000 0.963 450 T CA -0.517 61.618 62.100 0.059 0.000 1.019 450 T CB 0.762 69.636 68.868 0.011 0.000 0.923 450 T HN 1.094 nan 8.240 nan 0.000 0.468 451 V N 1.580 121.511 119.914 0.029 0.000 3.102 451 V HA 0.791 4.911 4.120 -0.000 0.000 0.312 451 V C -3.120 172.981 176.094 0.011 0.000 1.135 451 V CA -3.390 58.922 62.300 0.020 0.000 1.022 451 V CB 1.757 33.599 31.823 0.031 0.000 1.056 451 V HN 0.459 nan 8.190 nan 0.000 0.436 452 P HA 0.193 nan 4.420 nan 0.000 0.268 452 P C -0.589 176.714 177.300 0.005 0.000 1.205 452 P CA 0.030 63.132 63.100 0.002 0.000 0.771 452 P CB 0.275 31.979 31.700 0.006 0.000 0.858 453 Q N 2.834 122.633 119.800 -0.002 0.000 2.454 453 Q HA 0.140 4.479 4.340 -0.000 0.000 0.247 453 Q C -0.159 175.840 176.000 -0.002 0.000 1.028 453 Q CA -0.369 55.432 55.803 -0.003 0.000 0.910 453 Q CB 0.507 29.235 28.738 -0.017 0.000 1.276 453 Q HN 0.446 nan 8.270 nan 0.000 0.489 454 D N 0.723 121.124 120.400 0.002 0.000 2.478 454 D HA 0.247 4.887 4.640 -0.000 0.000 0.263 454 D C 0.339 176.632 176.300 -0.011 0.000 1.153 454 D CA -0.107 53.897 54.000 0.006 0.000 1.038 454 D CB 0.906 41.725 40.800 0.030 0.000 1.120 454 D HN 0.613 nan 8.370 nan 0.000 0.564 455 A N -0.011 122.803 122.820 -0.009 0.000 2.015 455 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 455 A C 2.301 179.854 177.584 -0.052 0.000 1.163 455 A CA 1.254 53.272 52.037 -0.032 0.000 0.646 455 A CB -0.716 18.270 19.000 -0.022 0.000 0.806 455 A HN 0.366 nan 8.150 nan 0.000 0.448 456 V N -0.580 119.314 119.914 -0.034 0.000 2.307 456 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 456 V C 2.809 178.875 176.094 -0.046 0.000 1.045 456 V CA 2.197 64.465 62.300 -0.054 0.000 1.024 456 V CB -0.721 31.107 31.823 0.008 0.000 0.651 456 V HN 0.673 nan 8.190 nan 0.000 0.449 457 S N -0.239 115.443 115.700 -0.030 0.000 2.365 457 S HA -0.307 4.163 4.470 -0.000 0.000 0.225 457 S C 2.226 176.761 174.600 -0.107 0.000 1.039 457 S CA 2.282 60.443 58.200 -0.064 0.000 1.033 457 S CB -0.334 62.836 63.200 -0.051 0.000 0.887 457 S HN 0.535 nan 8.310 nan 0.000 0.447 458 R N 0.193 120.640 120.500 -0.088 0.000 2.073 458 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 458 R C 2.497 178.692 176.300 -0.175 0.000 1.134 458 R CA 1.873 57.908 56.100 -0.109 0.000 0.952 458 R CB -0.516 29.726 30.300 -0.097 0.000 0.850 458 R HN 0.453 nan 8.270 nan 0.000 0.433 459 S N 0.627 116.240 115.700 -0.144 0.000 2.368 459 S HA -0.165 4.304 4.470 -0.000 0.000 0.225 459 S C 1.834 176.369 174.600 -0.109 0.000 1.030 459 S CA 1.298 59.416 58.200 -0.138 0.000 0.999 459 S CB -0.148 62.986 63.200 -0.110 0.000 0.844 459 S HN 0.456 nan 8.310 nan 0.000 0.459 460 Q N 0.491 120.238 119.800 -0.088 0.000 2.137 460 Q HA 0.059 4.399 4.340 -0.000 0.000 0.198 460 Q C 2.428 178.398 176.000 -0.050 0.000 0.960 460 Q CA 0.722 56.500 55.803 -0.042 0.000 0.847 460 Q CB -0.108 28.625 28.738 -0.009 0.000 0.915 460 Q HN 0.462 nan 8.270 nan 0.000 0.448 461 R N 0.562 120.961 120.500 -0.169 0.000 2.066 461 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 461 R C 2.356 178.699 176.300 0.071 0.000 1.131 461 R CA 1.132 57.089 56.100 -0.239 0.000 0.955 461 R CB -0.279 29.666 30.300 -0.591 0.000 0.851 461 R HN 0.114 nan 8.270 nan 0.000 0.432 462 R N 0.553 120.998 120.500 -0.092 0.000 2.127 462 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 462 R C 2.004 178.274 176.300 -0.050 0.000 1.134 462 R CA 1.683 57.652 56.100 -0.219 0.000 0.975 462 R CB -0.415 29.461 30.300 -0.706 0.000 0.865 462 R HN 0.330 nan 8.270 nan 0.000 0.447 463 G N -0.021 108.762 108.800 -0.029 0.000 2.679 463 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.212 463 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.212 463 G C 1.078 176.025 174.900 0.079 0.000 1.137 463 G CA -0.197 44.903 45.100 0.001 0.000 0.787 463 G HN 0.149 nan 8.290 nan 0.000 0.534 464 R N -0.045 120.556 120.500 0.168 0.000 2.323 464 R HA 0.113 4.453 4.340 -0.000 0.000 0.198 464 R C 0.620 177.076 176.300 0.261 0.000 0.988 464 R CA 0.188 56.447 56.100 0.266 0.000 1.041 464 R CB -0.528 30.000 30.300 0.380 0.000 0.926 464 R HN 0.312 nan 8.270 nan 0.000 0.476 465 T N -2.653 111.996 114.554 0.158 0.000 2.864 465 T HA 0.470 4.820 4.350 -0.000 0.000 0.289 465 T C 0.231 174.928 174.700 -0.004 0.000 1.082 465 T CA 0.215 62.386 62.100 0.119 0.000 1.009 465 T CB 1.525 70.487 68.868 0.157 0.000 1.234 465 T HN 0.300 nan 8.240 nan 0.000 0.526 466 G N 1.928 110.717 108.800 -0.018 0.000 2.160 466 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.251 466 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.251 466 G C 0.121 174.970 174.900 -0.084 0.000 1.008 466 G CA 0.583 45.623 45.100 -0.099 0.000 0.724 466 G HN 0.749 nan 8.290 nan 0.000 0.514 467 R N 0.414 120.904 120.500 -0.017 0.000 2.296 467 R HA 0.475 4.815 4.340 -0.000 0.000 0.327 467 R C 1.397 177.712 176.300 0.026 0.000 1.137 467 R CA 0.402 56.511 56.100 0.016 0.000 1.020 467 R CB -0.335 29.978 30.300 0.022 0.000 1.110 467 R HN 1.288 nan 8.270 nan 0.000 0.499 468 G N 3.698 112.525 108.800 0.045 0.000 2.305 468 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.287 468 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.287 468 G C -0.155 174.762 174.900 0.027 0.000 1.036 468 G CA 1.114 46.238 45.100 0.040 0.000 0.887 468 G HN 0.684 nan 8.290 nan 0.000 0.505 469 R N -1.786 118.731 120.500 0.028 0.000 2.739 469 R HA 0.462 4.802 4.340 -0.000 0.000 0.266 469 R C -0.676 175.640 176.300 0.027 0.000 1.044 469 R CA -1.012 55.101 56.100 0.022 0.000 0.885 469 R CB 0.729 31.034 30.300 0.009 0.000 1.260 469 R HN 0.181 nan 8.270 nan 0.000 0.477 470 R N 1.351 121.870 120.500 0.031 0.000 2.248 470 R HA 0.379 4.719 4.340 -0.000 0.000 0.328 470 R C 0.028 176.353 176.300 0.041 0.000 1.067 470 R CA 0.253 56.376 56.100 0.039 0.000 0.924 470 R CB 1.444 31.768 30.300 0.041 0.000 1.013 470 R HN 0.676 nan 8.270 nan 0.000 0.454 471 G N 2.596 111.420 108.800 0.041 0.000 2.537 471 G HA2 0.684 4.644 3.960 -0.000 0.000 0.323 471 G HA3 0.684 4.644 3.960 -0.000 0.000 0.323 471 G C -0.628 174.325 174.900 0.090 0.000 1.207 471 G CA -0.709 44.428 45.100 0.062 0.000 0.976 471 G HN 0.413 nan 8.290 nan 0.000 0.487 472 I N -0.068 120.576 120.570 0.123 0.000 2.545 472 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 472 I C -1.648 174.593 176.117 0.206 0.000 1.040 472 I CA -0.835 60.548 61.300 0.139 0.000 1.068 472 I CB 2.553 40.613 38.000 0.099 0.000 1.251 472 I HN 0.501 nan 8.210 nan 0.000 0.424 473 Y N 6.414 126.769 120.300 0.091 0.000 2.326 473 Y HA 0.547 5.097 4.550 -0.000 0.000 0.331 473 Y C -0.748 175.241 175.900 0.149 0.000 0.962 473 Y CA -0.687 57.490 58.100 0.128 0.000 1.167 473 Y CB 0.945 39.493 38.460 0.147 0.000 1.148 473 Y HN 0.459 nan 8.280 nan 0.000 0.463 474 R N 6.372 126.668 120.500 -0.341 0.000 2.532 474 R HA 0.647 4.987 4.340 -0.000 0.000 0.295 474 R C -1.585 174.413 176.300 -0.502 0.000 0.968 474 R CA -0.833 55.029 56.100 -0.398 0.000 0.916 474 R CB 1.713 31.833 30.300 -0.300 0.000 1.124 474 R HN 0.674 nan 8.270 nan 0.000 0.463 475 F N -2.193 117.557 119.950 -0.334 0.000 2.631 475 F HA 0.414 4.941 4.527 -0.000 0.000 0.308 475 F C 0.121 175.899 175.800 -0.037 0.000 1.097 475 F CA -1.251 56.609 58.000 -0.233 0.000 0.952 475 F CB 0.585 39.458 39.000 -0.213 0.000 1.307 475 F HN 0.105 nan 8.300 nan 0.000 0.450 476 V N 0.228 120.297 119.914 0.259 0.000 2.379 476 V HA 0.047 4.167 4.120 -0.000 0.000 0.243 476 V C 0.878 177.139 176.094 0.278 0.000 1.035 476 V CA 1.884 64.305 62.300 0.202 0.000 1.035 476 V CB -0.250 31.657 31.823 0.140 0.000 0.673 476 V HN 0.978 nan 8.190 nan 0.000 0.457 477 T N -2.615 112.139 114.554 0.334 0.000 2.893 477 T HA 0.462 4.812 4.350 -0.000 0.000 0.291 477 T C -2.129 172.660 174.700 0.149 0.000 1.028 477 T CA -1.763 60.488 62.100 0.252 0.000 0.995 477 T CB 2.366 71.300 68.868 0.109 0.000 1.051 477 T HN 0.041 nan 8.240 nan 0.000 0.470 478 P HA 0.199 nan 4.420 nan 0.000 0.239 478 P C 1.046 178.238 177.300 -0.181 0.000 1.188 478 P CA 0.154 63.094 63.100 -0.267 0.000 0.794 478 P CB -0.126 31.535 31.700 -0.065 0.000 0.937 479 G N 1.182 109.940 108.800 -0.070 0.000 2.570 479 G HA2 0.330 4.290 3.960 -0.000 0.000 0.276 479 G HA3 0.330 4.290 3.960 -0.000 0.000 0.276 479 G C -0.522 174.345 174.900 -0.055 0.000 1.346 479 G CA -0.260 44.811 45.100 -0.049 0.000 1.034 479 G HN 0.316 nan 8.290 nan 0.000 0.512 480 E N -1.327 118.853 120.200 -0.034 0.000 2.422 480 E HA 0.269 4.619 4.350 -0.000 0.000 0.289 480 E C -0.871 175.720 176.600 -0.015 0.000 0.985 480 E CA -0.952 55.432 56.400 -0.028 0.000 0.812 480 E CB 1.249 30.925 29.700 -0.041 0.000 1.226 480 E HN 0.343 nan 8.360 nan 0.000 0.419 481 R N 1.920 122.414 120.500 -0.009 0.000 2.774 481 R HA 0.266 4.606 4.340 -0.000 0.000 0.269 481 R C -1.999 174.295 176.300 -0.011 0.000 1.068 481 R CA -1.358 54.736 56.100 -0.010 0.000 1.180 481 R CB 0.210 30.510 30.300 -0.000 0.000 1.077 481 R HN 0.477 nan 8.270 nan 0.000 0.513 482 P HA -0.013 nan 4.420 nan 0.000 0.271 482 P C -0.382 176.954 177.300 0.061 0.000 1.216 482 P CA -0.022 63.058 63.100 -0.034 0.000 0.776 482 P CB 0.812 32.358 31.700 -0.257 0.000 0.881 483 S N 0.956 116.736 115.700 0.133 0.000 2.652 483 S HA 0.580 5.049 4.470 -0.000 0.000 0.270 483 S C 1.045 175.778 174.600 0.223 0.000 1.243 483 S CA 0.176 58.462 58.200 0.142 0.000 0.999 483 S CB 0.395 63.646 63.200 0.085 0.000 0.973 483 S HN 0.894 nan 8.310 nan 0.000 0.544 484 G N 0.318 109.232 108.800 0.190 0.000 2.132 484 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.234 484 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.234 484 G C -0.290 174.747 174.900 0.228 0.000 0.989 484 G CA 0.292 45.509 45.100 0.194 0.000 0.676 484 G HN 0.731 nan 8.290 nan 0.000 0.522 485 M N -0.619 119.121 119.600 0.233 0.000 2.591 485 M HA 0.805 5.285 4.480 -0.000 0.000 0.306 485 M C -0.182 176.261 176.300 0.239 0.000 1.190 485 M CA -1.121 54.281 55.300 0.170 0.000 0.889 485 M CB 2.121 34.792 32.600 0.119 0.000 1.728 485 M HN 0.391 nan 8.290 nan 0.000 0.458 486 F N -1.613 118.371 119.950 0.057 0.000 2.664 486 F HA 0.760 5.287 4.527 -0.000 0.000 0.317 486 F C -1.066 174.754 175.800 0.033 0.000 1.108 486 F CA -1.272 56.749 58.000 0.035 0.000 0.957 486 F CB 0.851 39.857 39.000 0.011 0.000 1.365 486 F HN 0.477 nan 8.300 nan 0.000 0.475 487 D N 0.171 120.707 120.400 0.227 0.000 2.283 487 D HA 0.242 4.881 4.640 -0.000 0.000 0.248 487 D C 1.087 177.505 176.300 0.197 0.000 1.072 487 D CA -0.034 54.046 54.000 0.133 0.000 0.929 487 D CB 2.035 42.918 40.800 0.137 0.000 1.182 487 D HN 0.684 nan 8.370 nan 0.000 0.433 488 S N 0.882 116.706 115.700 0.207 0.000 2.419 488 S HA -0.198 4.271 4.470 -0.000 0.000 0.235 488 S C 1.860 176.678 174.600 0.364 0.000 1.019 488 S CA 1.830 60.276 58.200 0.411 0.000 0.982 488 S CB -0.465 63.183 63.200 0.748 0.000 0.789 488 S HN 0.560 nan 8.310 nan 0.000 0.490 489 S N 0.517 116.369 115.700 0.253 0.000 2.419 489 S HA -0.055 4.415 4.470 -0.000 0.000 0.233 489 S C 1.722 176.366 174.600 0.075 0.000 1.016 489 S CA 1.215 59.503 58.200 0.146 0.000 0.974 489 S CB -0.744 62.581 63.200 0.209 0.000 0.786 489 S HN 0.384 nan 8.310 nan 0.000 0.492 490 V N 2.029 122.016 119.914 0.120 0.000 2.515 490 V HA -0.074 4.046 4.120 -0.000 0.000 0.250 490 V C 2.478 178.551 176.094 -0.035 0.000 1.058 490 V CA 1.454 63.776 62.300 0.036 0.000 1.064 490 V CB -0.891 30.977 31.823 0.075 0.000 0.675 490 V HN 0.465 nan 8.190 nan 0.000 0.461 491 L N -0.540 120.705 121.223 0.036 0.000 2.017 491 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 491 L C 2.739 179.466 176.870 -0.238 0.000 1.073 491 L CA 1.815 56.651 54.840 -0.007 0.000 0.745 491 L CB -0.884 41.303 42.059 0.213 0.000 0.894 491 L HN 0.476 nan 8.230 nan 0.000 0.432 492 C N 0.703 119.554 119.300 -0.748 0.000 2.398 492 C HA -0.210 4.250 4.460 -0.000 0.000 0.276 492 C C 2.661 177.575 174.990 -0.126 0.000 1.222 492 C CA 1.454 59.978 59.018 -0.824 0.000 1.746 492 C CB -0.725 26.227 27.740 -1.313 0.000 2.039 492 C HN 0.519 nan 8.230 nan 0.000 0.470 493 E N -0.745 119.431 120.200 -0.040 0.000 2.118 493 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 493 E C 2.247 178.757 176.600 -0.149 0.000 0.992 493 E CA 1.770 58.104 56.400 -0.110 0.000 0.804 493 E CB -0.229 29.318 29.700 -0.255 0.000 0.741 493 E HN 0.773 nan 8.360 nan 0.000 0.458 494 C N 0.012 119.190 119.300 -0.204 0.000 2.432 494 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 494 C C 2.386 177.150 174.990 -0.375 0.000 1.249 494 C CA 0.458 59.311 59.018 -0.275 0.000 1.725 494 C CB -1.015 26.510 27.740 -0.358 0.000 2.028 494 C HN 0.463 nan 8.230 nan 0.000 0.477 495 Y N 0.809 120.835 120.300 -0.456 0.000 2.181 495 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 495 Y C 2.464 177.842 175.900 -0.871 0.000 1.146 495 Y CA 1.963 59.594 58.100 -0.781 0.000 1.164 495 Y CB -0.589 37.095 38.460 -1.294 0.000 0.982 495 Y HN 0.404 nan 8.280 nan 0.000 0.515 496 D N -0.056 120.039 120.400 -0.508 0.000 2.104 496 D HA -0.204 4.435 4.640 -0.000 0.000 0.194 496 D C 2.227 178.517 176.300 -0.017 0.000 0.994 496 D CA 1.426 55.398 54.000 -0.046 0.000 0.830 496 D CB 0.012 40.992 40.800 0.300 0.000 0.959 496 D HN 0.353 nan 8.370 nan 0.000 0.452 497 A N 0.562 123.377 122.820 -0.009 0.000 1.930 497 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 497 A C 2.373 179.990 177.584 0.055 0.000 1.175 497 A CA 1.955 54.052 52.037 0.101 0.000 0.627 497 A CB -0.995 18.093 19.000 0.145 0.000 0.815 497 A HN 0.368 nan 8.150 nan 0.000 0.443 498 G N -0.788 108.019 108.800 0.011 0.000 2.421 498 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 498 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 498 G C 1.578 176.455 174.900 -0.038 0.000 1.171 498 G CA 1.387 46.511 45.100 0.040 0.000 0.775 498 G HN 0.519 nan 8.290 nan 0.000 0.543 499 C N 0.630 119.821 119.300 -0.182 0.000 2.466 499 C HA 0.323 4.783 4.460 -0.000 0.000 0.278 499 C C 3.503 178.427 174.990 -0.111 0.000 1.288 499 C CA 0.796 59.652 59.018 -0.269 0.000 1.722 499 C CB -0.745 26.495 27.740 -0.834 0.000 2.017 499 C HN 0.552 nan 8.230 nan 0.000 0.488 500 A N -1.494 121.281 122.820 -0.075 0.000 1.930 500 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 500 A C 1.722 179.068 177.584 -0.398 0.000 1.176 500 A CA 1.015 52.973 52.037 -0.131 0.000 0.632 500 A CB -0.451 18.446 19.000 -0.172 0.000 0.819 500 A HN 0.766 nan 8.150 nan 0.000 0.445 501 W N -3.454 117.676 121.300 -0.284 0.000 3.063 501 W HA 0.252 4.912 4.660 -0.000 0.000 0.246 501 W C 1.017 177.281 176.519 -0.426 0.000 1.145 501 W CA 0.055 57.100 57.345 -0.499 0.000 1.510 501 W CB 0.387 29.231 29.460 -1.026 0.000 0.904 501 W HN 0.284 nan 8.180 nan 0.000 0.679 502 Y N 0.643 121.065 120.300 0.204 0.000 2.531 502 Y HA 0.226 4.775 4.550 -0.000 0.000 0.249 502 Y C 0.198 176.123 175.900 0.040 0.000 1.168 502 Y CA -0.874 57.286 58.100 0.100 0.000 1.226 502 Y CB -0.736 37.752 38.460 0.048 0.000 1.177 502 Y HN -0.054 nan 8.280 nan 0.000 0.527 503 E N 0.691 120.966 120.200 0.125 0.000 2.297 503 E HA -0.215 4.134 4.350 -0.000 0.000 0.228 503 E C -1.006 175.630 176.600 0.061 0.000 1.213 503 E CA 0.229 56.674 56.400 0.075 0.000 0.712 503 E CB -1.636 28.108 29.700 0.073 0.000 1.202 503 E HN 0.400 nan 8.360 nan 0.000 0.376 504 L N 0.986 122.239 121.223 0.050 0.000 2.296 504 L HA 0.339 4.679 4.340 -0.000 0.000 0.286 504 L C 1.151 178.020 176.870 -0.002 0.000 1.023 504 L CA -0.785 54.067 54.840 0.020 0.000 0.812 504 L CB 1.386 43.450 42.059 0.009 0.000 1.223 504 L HN 0.105 nan 8.230 nan 0.000 0.421 505 T N -0.343 114.218 114.554 0.011 0.000 2.900 505 T HA 0.125 4.475 4.350 -0.000 0.000 0.307 505 T C -1.837 172.889 174.700 0.044 0.000 1.065 505 T CA -1.225 60.889 62.100 0.023 0.000 1.105 505 T CB 0.917 69.804 68.868 0.032 0.000 0.979 505 T HN 0.342 nan 8.240 nan 0.000 0.544 506 P HA -0.076 nan 4.420 nan 0.000 0.216 506 P C 1.666 179.098 177.300 0.220 0.000 1.150 506 P CA 1.586 64.816 63.100 0.217 0.000 0.843 506 P CB -0.296 31.519 31.700 0.191 0.000 0.787 507 A N -0.234 122.661 122.820 0.126 0.000 1.933 507 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 507 A C 2.338 179.967 177.584 0.075 0.000 1.175 507 A CA 1.983 54.083 52.037 0.104 0.000 0.628 507 A CB -1.153 17.888 19.000 0.068 0.000 0.814 507 A HN 0.148 nan 8.150 nan 0.000 0.444 508 E N -0.269 119.958 120.200 0.044 0.000 2.072 508 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 508 E C 1.961 178.546 176.600 -0.024 0.000 0.982 508 E CA 1.902 58.309 56.400 0.010 0.000 0.803 508 E CB -0.707 28.992 29.700 -0.000 0.000 0.755 508 E HN 0.453 nan 8.360 nan 0.000 0.453 509 T N -0.080 114.437 114.554 -0.062 0.000 2.699 509 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 509 T C 1.983 176.563 174.700 -0.199 0.000 1.036 509 T CA 1.539 63.502 62.100 -0.229 0.000 1.147 509 T CB -0.439 68.131 68.868 -0.497 0.000 0.862 509 T HN 0.117 nan 8.240 nan 0.000 0.446 510 S N 0.648 116.356 115.700 0.015 0.000 2.370 510 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 510 S C 2.301 176.939 174.600 0.064 0.000 1.033 510 S CA 0.849 59.126 58.200 0.127 0.000 1.011 510 S CB -0.485 62.855 63.200 0.232 0.000 0.852 510 S HN 0.296 nan 8.310 nan 0.000 0.457 511 V N 1.893 121.831 119.914 0.039 0.000 2.295 511 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 511 V C 2.429 178.536 176.094 0.022 0.000 1.049 511 V CA 1.763 64.081 62.300 0.031 0.000 1.024 511 V CB -0.614 31.220 31.823 0.018 0.000 0.648 511 V HN 0.380 nan 8.190 nan 0.000 0.447 512 R N -0.297 120.200 120.500 -0.005 0.000 2.073 512 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 512 R C 2.282 178.596 176.300 0.024 0.000 1.134 512 R CA 1.404 57.502 56.100 -0.002 0.000 0.952 512 R CB -0.443 29.831 30.300 -0.042 0.000 0.850 512 R HN 0.401 nan 8.270 nan 0.000 0.433 513 L N 0.171 121.386 121.223 -0.014 0.000 2.141 513 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 513 L C 2.597 179.540 176.870 0.121 0.000 1.094 513 L CA 0.884 55.738 54.840 0.024 0.000 0.763 513 L CB -0.289 41.745 42.059 -0.041 0.000 0.908 513 L HN 0.081 nan 8.230 nan 0.000 0.437 514 R N 0.986 121.545 120.500 0.099 0.000 2.081 514 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 514 R C 2.213 178.574 176.300 0.101 0.000 1.131 514 R CA 1.665 57.827 56.100 0.102 0.000 0.960 514 R CB -0.635 29.713 30.300 0.079 0.000 0.856 514 R HN 0.283 nan 8.270 nan 0.000 0.436 515 A N -0.587 122.288 122.820 0.090 0.000 1.902 515 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 515 A C 2.152 179.798 177.584 0.105 0.000 1.181 515 A CA 1.524 53.608 52.037 0.078 0.000 0.623 515 A CB -0.966 18.072 19.000 0.062 0.000 0.818 515 A HN 0.559 nan 8.150 nan 0.000 0.443 516 Y N -0.083 120.231 120.300 0.023 0.000 2.114 516 Y HA -0.165 4.385 4.550 -0.000 0.000 0.284 516 Y C 1.982 177.914 175.900 0.055 0.000 1.143 516 Y CA 1.885 60.004 58.100 0.032 0.000 1.135 516 Y CB -0.397 38.077 38.460 0.023 0.000 0.980 516 Y HN 0.197 nan 8.280 nan 0.000 0.499 517 L N 0.922 122.339 121.223 0.323 0.000 2.127 517 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 517 L C 1.777 178.694 176.870 0.078 0.000 1.089 517 L CA 1.607 56.573 54.840 0.210 0.000 0.757 517 L CB -1.024 41.138 42.059 0.171 0.000 0.899 517 L HN 0.293 nan 8.230 nan 0.000 0.434 518 N N -1.335 117.400 118.700 0.058 0.000 2.515 518 N HA -0.028 4.712 4.740 -0.000 0.000 0.185 518 N C 0.090 175.599 175.510 -0.000 0.000 1.109 518 N CA 0.369 53.433 53.050 0.023 0.000 0.903 518 N CB -0.106 38.397 38.487 0.027 0.000 0.969 518 N HN 0.265 nan 8.380 nan 0.000 0.450 519 T N 2.950 117.486 114.554 -0.030 0.000 2.733 519 T HA 0.335 4.685 4.350 -0.000 0.000 0.294 519 T C -2.415 172.257 174.700 -0.047 0.000 0.956 519 T CA -1.305 60.765 62.100 -0.050 0.000 0.987 519 T CB 1.902 70.707 68.868 -0.106 0.000 0.920 519 T HN -0.025 nan 8.240 nan 0.000 0.470 520 P HA 0.351 nan 4.420 nan 0.000 0.272 520 P C 1.081 178.394 177.300 0.021 0.000 1.223 520 P CA 0.358 63.454 63.100 -0.007 0.000 0.784 520 P CB 0.446 32.142 31.700 -0.006 0.000 0.923 521 G N 0.141 108.906 108.800 -0.059 0.000 2.176 521 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 521 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 521 G C -0.078 174.835 174.900 0.023 0.000 0.979 521 G CA -0.191 44.838 45.100 -0.118 0.000 0.641 521 G HN 0.432 nan 8.290 nan 0.000 0.530 522 L N 0.738 121.961 121.223 0.000 0.000 2.400 522 L HA 0.545 4.885 4.340 -0.000 0.000 0.264 522 L C -1.739 175.171 176.870 0.066 0.000 1.061 522 L CA -2.533 52.292 54.840 -0.025 0.000 0.799 522 L CB 0.885 42.742 42.059 -0.338 0.000 1.240 522 L HN -0.162 nan 8.230 nan 0.000 0.461 523 P HA -0.002 nan 4.420 nan 0.000 0.266 523 P C -1.065 176.473 177.300 0.398 0.000 1.193 523 P CA -0.023 63.285 63.100 0.346 0.000 0.770 523 P CB 0.476 32.481 31.700 0.508 0.000 0.836 524 V N 0.389 120.407 119.914 0.173 0.000 3.019 524 V HA 0.846 4.966 4.120 -0.000 0.000 0.317 524 V C -0.645 175.187 176.094 -0.437 0.000 1.094 524 V CA -0.828 61.452 62.300 -0.033 0.000 1.000 524 V CB 1.889 33.688 31.823 -0.040 0.000 1.060 524 V HN 0.807 nan 8.190 nan 0.000 0.443 525 C N 2.168 121.164 119.300 -0.507 0.000 3.239 525 C HA 0.502 4.962 4.460 -0.000 0.000 0.329 525 C C -0.630 174.133 174.990 -0.379 0.000 1.252 525 C CA -0.345 58.248 59.018 -0.709 0.000 1.323 525 C CB 1.906 28.877 27.740 -1.282 0.000 1.663 525 C HN 1.076 nan 8.230 nan 0.000 0.487 526 Q N 2.545 122.122 119.800 -0.371 0.000 2.315 526 Q HA 0.065 4.405 4.340 -0.000 0.000 0.289 526 Q C -0.235 175.505 176.000 -0.433 0.000 1.044 526 Q CA 0.774 56.316 55.803 -0.435 0.000 0.920 526 Q CB 0.544 28.900 28.738 -0.636 0.000 1.214 526 Q HN 0.720 nan 8.270 nan 0.000 0.392 527 D N 2.198 122.433 120.400 -0.276 0.000 2.435 527 D HA 0.007 4.647 4.640 -0.000 0.000 0.230 527 D C -0.197 176.124 176.300 0.035 0.000 1.215 527 D CA 0.133 54.086 54.000 -0.078 0.000 0.947 527 D CB -0.259 40.531 40.800 -0.018 0.000 1.048 527 D HN 0.445 nan 8.370 nan 0.000 0.512 528 H N 3.065 122.238 119.070 0.171 0.000 2.475 528 H HA 0.186 4.742 4.556 -0.000 0.000 0.276 528 H C 1.639 177.143 175.328 0.292 0.000 1.126 528 H CA -0.371 55.776 56.048 0.166 0.000 1.023 528 H CB 0.889 30.773 29.762 0.203 0.000 1.669 528 H HN 0.266 nan 8.280 nan 0.000 0.573 529 L N 0.290 121.739 121.223 0.377 0.000 1.989 529 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 529 L C 2.244 179.251 176.870 0.229 0.000 1.071 529 L CA 1.224 56.294 54.840 0.384 0.000 0.749 529 L CB -0.165 42.082 42.059 0.312 0.000 0.890 529 L HN 0.409 nan 8.230 nan 0.000 0.431 530 E N -0.109 120.182 120.200 0.152 0.000 2.085 530 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 530 E C 1.962 178.563 176.600 0.001 0.000 0.994 530 E CA 1.373 57.815 56.400 0.069 0.000 0.801 530 E CB -0.399 29.331 29.700 0.051 0.000 0.743 530 E HN 0.398 nan 8.360 nan 0.000 0.453 531 F N -0.078 119.772 119.950 -0.167 0.000 2.069 531 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 531 F C 2.080 177.677 175.800 -0.338 0.000 1.113 531 F CA 1.719 59.506 58.000 -0.355 0.000 1.214 531 F CB -0.674 37.941 39.000 -0.640 0.000 0.978 531 F HN 0.006 nan 8.300 nan 0.000 0.474 532 W N 0.892 122.005 121.300 -0.311 0.000 2.388 532 W HA -0.111 4.549 4.660 -0.000 0.000 0.294 532 W C 2.623 178.729 176.519 -0.689 0.000 1.212 532 W CA 1.202 58.215 57.345 -0.552 0.000 1.271 532 W CB -0.530 28.716 29.460 -0.356 0.000 1.126 532 W HN 0.147 nan 8.180 nan 0.000 0.535 533 E N 0.723 120.645 120.200 -0.464 0.000 2.077 533 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 533 E C 2.325 178.858 176.600 -0.111 0.000 0.989 533 E CA 1.980 58.191 56.400 -0.314 0.000 0.800 533 E CB -0.240 29.433 29.700 -0.045 0.000 0.746 533 E HN 0.222 nan 8.360 nan 0.000 0.452 534 S N -0.151 115.453 115.700 -0.160 0.000 2.368 534 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 534 S C 2.114 176.689 174.600 -0.042 0.000 1.030 534 S CA 1.406 59.546 58.200 -0.100 0.000 0.999 534 S CB -0.638 62.450 63.200 -0.186 0.000 0.844 534 S HN 0.164 nan 8.310 nan 0.000 0.459 535 V N 0.933 120.702 119.914 -0.241 0.000 2.261 535 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 535 V C 2.321 178.408 176.094 -0.011 0.000 1.047 535 V CA 2.089 64.305 62.300 -0.138 0.000 1.015 535 V CB -1.108 30.513 31.823 -0.336 0.000 0.642 535 V HN 0.498 nan 8.190 nan 0.000 0.446 536 F N 0.435 120.356 119.950 -0.048 0.000 2.234 536 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 536 F C 2.585 178.361 175.800 -0.041 0.000 1.087 536 F CA 1.622 59.604 58.000 -0.029 0.000 1.340 536 F CB -0.918 38.051 39.000 -0.051 0.000 1.031 536 F HN 0.069 nan 8.300 nan 0.000 0.500 537 T N -0.736 113.903 114.554 0.141 0.000 2.803 537 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 537 T C 2.226 176.893 174.700 -0.055 0.000 1.052 537 T CA 1.412 63.552 62.100 0.066 0.000 1.136 537 T CB -0.788 68.132 68.868 0.086 0.000 0.864 537 T HN 0.459 nan 8.240 nan 0.000 0.467 538 G N 0.598 109.325 108.800 -0.121 0.000 2.744 538 G HA2 0.137 4.096 3.960 -0.000 0.000 0.211 538 G HA3 0.137 4.096 3.960 -0.000 0.000 0.211 538 G C 0.557 175.221 174.900 -0.392 0.000 1.143 538 G CA -0.099 44.633 45.100 -0.612 0.000 0.788 538 G HN 0.452 nan 8.290 nan 0.000 0.534 539 L N 3.166 124.216 121.223 -0.289 0.000 2.466 539 L HA 0.248 4.588 4.340 -0.000 0.000 0.248 539 L C 0.561 177.343 176.870 -0.147 0.000 1.240 539 L CA -0.547 53.939 54.840 -0.591 0.000 1.180 539 L CB -0.207 41.403 42.059 -0.749 0.000 1.413 539 L HN 0.063 nan 8.230 nan 0.000 0.406 540 T N -3.138 111.443 114.554 0.044 0.000 2.922 540 T HA 0.272 4.622 4.350 -0.000 0.000 0.285 540 T C 0.471 175.291 174.700 0.200 0.000 1.005 540 T CA -0.548 61.551 62.100 -0.002 0.000 1.061 540 T CB 0.895 69.588 68.868 -0.291 0.000 1.007 540 T HN 0.531 nan 8.240 nan 0.000 0.502 541 H N -0.684 118.531 119.070 0.242 0.000 2.750 541 H HA -0.135 4.420 4.556 -0.000 0.000 0.327 541 H C 0.121 175.530 175.328 0.135 0.000 1.199 541 H CA 0.233 56.376 56.048 0.159 0.000 1.149 541 H CB -1.620 28.202 29.762 0.100 0.000 1.543 541 H HN 0.763 nan 8.280 nan 0.000 0.427 542 I N 0.833 121.558 120.570 0.257 0.000 2.836 542 I HA -0.034 4.136 4.170 -0.000 0.000 0.285 542 I C 1.094 177.234 176.117 0.039 0.000 1.174 542 I CA 0.206 61.559 61.300 0.089 0.000 1.405 542 I CB 0.539 38.586 38.000 0.079 0.000 1.385 542 I HN 0.238 nan 8.210 nan 0.000 0.594 543 D N 5.915 126.309 120.400 -0.011 0.000 2.344 543 D HA 0.106 4.746 4.640 -0.000 0.000 0.253 543 D C 0.764 177.040 176.300 -0.040 0.000 1.255 543 D CA 0.158 54.136 54.000 -0.037 0.000 0.894 543 D CB 1.507 42.272 40.800 -0.059 0.000 1.067 543 D HN 0.697 nan 8.370 nan 0.000 0.492 544 A N 4.613 127.419 122.820 -0.024 0.000 1.986 544 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 544 A C 2.001 179.579 177.584 -0.010 0.000 1.171 544 A CA 1.315 53.349 52.037 -0.004 0.000 0.640 544 A CB -0.609 18.396 19.000 0.009 0.000 0.811 544 A HN 0.857 nan 8.150 nan 0.000 0.451 545 H N -1.976 116.981 119.070 -0.189 0.000 2.363 545 H HA -0.111 4.445 4.556 -0.000 0.000 0.301 545 H C 1.704 176.956 175.328 -0.126 0.000 1.074 545 H CA 1.662 57.581 56.048 -0.214 0.000 1.354 545 H CB -0.084 29.464 29.762 -0.357 0.000 1.397 545 H HN 0.470 nan 8.280 nan 0.000 0.516 546 F N 0.548 120.419 119.950 -0.132 0.000 2.146 546 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 546 F C 2.519 178.225 175.800 -0.157 0.000 1.096 546 F CA 0.421 58.311 58.000 -0.184 0.000 1.275 546 F CB -0.933 38.011 39.000 -0.094 0.000 1.008 546 F HN 0.169 nan 8.300 nan 0.000 0.480 547 L N -0.363 120.885 121.223 0.041 0.000 2.012 547 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 547 L C 2.630 179.438 176.870 -0.103 0.000 1.073 547 L CA 1.935 56.748 54.840 -0.045 0.000 0.748 547 L CB -1.301 40.725 42.059 -0.054 0.000 0.891 547 L HN 0.156 nan 8.230 nan 0.000 0.431 548 S N -1.226 114.418 115.700 -0.094 0.000 2.374 548 S HA -0.284 4.185 4.470 -0.000 0.000 0.227 548 S C 1.959 176.506 174.600 -0.089 0.000 1.037 548 S CA 1.839 59.980 58.200 -0.098 0.000 1.024 548 S CB -0.227 62.948 63.200 -0.041 0.000 0.861 548 S HN 0.688 nan 8.310 nan 0.000 0.456 549 Q N -0.286 119.457 119.800 -0.096 0.000 2.079 549 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 549 Q C 2.553 178.535 176.000 -0.030 0.000 0.974 549 Q CA 1.849 57.614 55.803 -0.063 0.000 0.840 549 Q CB -0.458 28.235 28.738 -0.076 0.000 0.898 549 Q HN 0.883 nan 8.270 nan 0.000 0.430 550 T N -0.971 113.562 114.554 -0.035 0.000 2.857 550 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 550 T C 1.667 176.354 174.700 -0.020 0.000 1.048 550 T CA 0.829 62.913 62.100 -0.028 0.000 1.139 550 T CB -0.047 68.805 68.868 -0.026 0.000 0.874 550 T HN 0.102 nan 8.240 nan 0.000 0.455 551 K N 1.119 121.459 120.400 -0.101 0.000 1.991 551 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 551 K C 2.845 179.498 176.600 0.088 0.000 1.049 551 K CA 1.860 58.050 56.287 -0.160 0.000 0.932 551 K CB -0.279 31.858 32.500 -0.606 0.000 0.717 551 K HN 0.454 nan 8.250 nan 0.000 0.441 552 Q N 0.028 119.853 119.800 0.042 0.000 2.096 552 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 552 Q C 2.177 178.234 176.000 0.095 0.000 0.982 552 Q CA 1.571 57.432 55.803 0.097 0.000 0.850 552 Q CB -0.237 28.534 28.738 0.056 0.000 0.901 552 Q HN 0.382 nan 8.270 nan 0.000 0.422 553 A N 0.039 122.895 122.820 0.059 0.000 2.070 553 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 553 A C 1.749 179.368 177.584 0.058 0.000 1.159 553 A CA 1.345 53.410 52.037 0.046 0.000 0.656 553 A CB -0.727 18.284 19.000 0.017 0.000 0.800 553 A HN 0.570 nan 8.150 nan 0.000 0.453 554 G N -1.116 107.742 108.800 0.096 0.000 2.162 554 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 554 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 554 G C -0.164 174.770 174.900 0.057 0.000 0.976 554 G CA 0.386 45.549 45.100 0.104 0.000 0.655 554 G HN 0.526 nan 8.290 nan 0.000 0.533 555 D N 0.390 120.809 120.400 0.032 0.000 2.387 555 D HA 0.315 4.955 4.640 -0.000 0.000 0.251 555 D C 0.829 177.129 176.300 -0.000 0.000 1.141 555 D CA -0.601 53.399 54.000 -0.001 0.000 0.987 555 D CB 0.343 41.125 40.800 -0.031 0.000 1.116 555 D HN 0.100 nan 8.370 nan 0.000 0.491 556 N N 0.052 118.731 118.700 -0.034 0.000 2.374 556 N HA -0.033 4.707 4.740 -0.000 0.000 0.241 556 N C 0.067 175.583 175.510 0.009 0.000 1.262 556 N CA 0.205 53.177 53.050 -0.129 0.000 0.880 556 N CB -0.074 38.297 38.487 -0.193 0.000 1.105 556 N HN 0.342 nan 8.380 nan 0.000 0.438 557 F N -1.766 118.220 119.950 0.058 0.000 2.943 557 F HA -0.171 4.356 4.527 -0.000 0.000 0.258 557 F C -1.154 174.703 175.800 0.096 0.000 0.995 557 F CA -0.246 57.809 58.000 0.092 0.000 0.896 557 F CB -1.546 37.494 39.000 0.066 0.000 0.821 557 F HN 0.525 nan 8.300 nan 0.000 0.828 558 P HA -0.252 nan 4.420 nan 0.000 0.216 558 P C 1.670 179.073 177.300 0.171 0.000 1.150 558 P CA 1.753 64.927 63.100 0.124 0.000 0.837 558 P CB 0.006 31.738 31.700 0.052 0.000 0.786 559 Y N 0.789 121.186 120.300 0.161 0.000 2.133 559 Y HA -0.121 4.429 4.550 -0.000 0.000 0.287 559 Y C 2.526 178.603 175.900 0.295 0.000 1.134 559 Y CA 1.441 59.675 58.100 0.222 0.000 1.133 559 Y CB -0.947 37.683 38.460 0.284 0.000 0.987 559 Y HN -0.276 nan 8.280 nan 0.000 0.502 560 L N -1.211 120.289 121.223 0.461 0.000 2.083 560 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 560 L C 2.240 179.321 176.870 0.352 0.000 1.083 560 L CA 1.087 56.118 54.840 0.318 0.000 0.752 560 L CB -0.763 41.312 42.059 0.027 0.000 0.899 560 L HN 0.155 nan 8.230 nan 0.000 0.433 561 V N 0.080 120.135 119.914 0.235 0.000 2.307 561 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 561 V C 2.744 178.950 176.094 0.186 0.000 1.045 561 V CA 1.764 64.149 62.300 0.142 0.000 1.024 561 V CB -0.810 30.927 31.823 -0.142 0.000 0.651 561 V HN 0.468 nan 8.190 nan 0.000 0.449 562 A N -1.442 121.430 122.820 0.087 0.000 1.972 562 A HA -0.252 4.067 4.320 -0.000 0.000 0.219 562 A C 2.128 179.725 177.584 0.023 0.000 1.169 562 A CA 1.884 53.944 52.037 0.038 0.000 0.635 562 A CB -0.683 18.311 19.000 -0.010 0.000 0.810 562 A HN 0.642 nan 8.150 nan 0.000 0.446 563 Y N -0.271 119.998 120.300 -0.052 0.000 2.286 563 Y HA -0.125 4.425 4.550 -0.000 0.000 0.293 563 Y C 2.617 178.511 175.900 -0.009 0.000 1.124 563 Y CA 1.940 60.007 58.100 -0.054 0.000 1.178 563 Y CB -0.107 38.319 38.460 -0.057 0.000 1.010 563 Y HN 0.439 nan 8.280 nan 0.000 0.536 564 Q N 0.574 120.501 119.800 0.210 0.000 2.050 564 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 564 Q C 2.263 178.155 176.000 -0.179 0.000 0.980 564 Q CA 2.095 57.895 55.803 -0.006 0.000 0.840 564 Q CB -0.626 28.175 28.738 0.104 0.000 0.898 564 Q HN 0.456 nan 8.270 nan 0.000 0.424 565 A N -0.543 122.217 122.820 -0.101 0.000 1.940 565 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 565 A C 2.312 179.660 177.584 -0.392 0.000 1.176 565 A CA 2.055 53.883 52.037 -0.348 0.000 0.631 565 A CB -1.147 17.562 19.000 -0.485 0.000 0.814 565 A HN 0.526 nan 8.150 nan 0.000 0.446 566 T N -0.517 113.906 114.554 -0.219 0.000 2.674 566 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 566 T C 1.885 176.466 174.700 -0.199 0.000 1.039 566 T CA 1.591 63.641 62.100 -0.083 0.000 1.150 566 T CB -0.438 68.259 68.868 -0.286 0.000 0.864 566 T HN 0.151 nan 8.240 nan 0.000 0.427 567 V N 0.908 120.609 119.914 -0.355 0.000 2.343 567 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 567 V C 2.829 178.752 176.094 -0.286 0.000 1.051 567 V CA 1.351 63.433 62.300 -0.364 0.000 1.036 567 V CB -0.751 30.766 31.823 -0.510 0.000 0.654 567 V HN 0.628 nan 8.190 nan 0.000 0.451 568 C N 0.066 119.192 119.300 -0.289 0.000 2.413 568 C HA -0.170 4.290 4.460 -0.000 0.000 0.278 568 C C 3.110 178.017 174.990 -0.138 0.000 1.224 568 C CA 1.070 59.939 59.018 -0.249 0.000 1.732 568 C CB -1.385 26.154 27.740 -0.336 0.000 2.050 568 C HN 0.638 nan 8.230 nan 0.000 0.463 569 A N 0.318 123.081 122.820 -0.094 0.000 1.908 569 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 569 A C 2.182 179.787 177.584 0.036 0.000 1.181 569 A CA 1.755 53.809 52.037 0.029 0.000 0.627 569 A CB -0.563 18.566 19.000 0.215 0.000 0.818 569 A HN 0.713 nan 8.150 nan 0.000 0.445 570 R N -0.834 119.677 120.500 0.018 0.000 2.148 570 R HA 0.053 4.393 4.340 -0.000 0.000 0.223 570 R C 2.100 178.422 176.300 0.036 0.000 1.088 570 R CA 0.939 57.056 56.100 0.029 0.000 0.985 570 R CB -0.291 30.027 30.300 0.030 0.000 0.880 570 R HN 0.485 nan 8.270 nan 0.000 0.451 571 A N 0.768 123.602 122.820 0.023 0.000 2.238 571 A HA -0.034 4.286 4.320 -0.000 0.000 0.208 571 A C 0.218 177.810 177.584 0.013 0.000 1.177 571 A CA 0.085 52.145 52.037 0.039 0.000 0.804 571 A CB 0.227 19.256 19.000 0.048 0.000 0.823 571 A HN 0.248 nan 8.150 nan 0.000 0.482 572 Q N -2.151 117.651 119.800 0.003 0.000 2.475 572 Q HA -0.225 4.114 4.340 -0.000 0.000 0.280 572 Q C 0.118 176.112 176.000 -0.011 0.000 1.234 572 Q CA 1.002 56.809 55.803 0.006 0.000 0.873 572 Q CB -2.778 25.975 28.738 0.024 0.000 1.256 572 Q HN 1.121 nan 8.270 nan 0.000 0.475 573 A N -0.195 122.596 122.820 -0.049 0.000 2.354 573 A HA 0.895 5.214 4.320 -0.000 0.000 0.321 573 A C -2.417 175.084 177.584 -0.139 0.000 1.125 573 A CA -1.650 50.341 52.037 -0.077 0.000 0.799 573 A CB 1.378 20.323 19.000 -0.091 0.000 1.293 573 A HN -0.036 nan 8.150 nan 0.000 0.452 574 P HA 0.392 nan 4.420 nan 0.000 0.274 574 P C -2.631 174.362 177.300 -0.512 0.000 1.256 574 P CA -1.230 61.713 63.100 -0.262 0.000 0.795 574 P CB -0.229 31.379 31.700 -0.154 0.000 1.038 575 P HA 0.258 nan 4.420 nan 0.000 0.277 575 P C -2.063 174.638 177.300 -0.998 0.000 1.271 575 P CA -1.887 60.560 63.100 -1.087 0.000 0.795 575 P CB -0.793 30.094 31.700 -1.355 0.000 1.101 576 P HA -0.100 nan 4.420 nan 0.000 0.219 576 P C 0.366 177.370 177.300 -0.494 0.000 1.146 576 P CA 1.613 64.311 63.100 -0.670 0.000 0.808 576 P CB 0.070 31.416 31.700 -0.590 0.000 0.779 577 S N -3.826 111.489 115.700 -0.643 0.000 2.655 577 S HA 0.304 4.774 4.470 -0.000 0.000 0.266 577 S C -1.270 173.086 174.600 -0.407 0.000 1.149 577 S CA -0.860 57.140 58.200 -0.332 0.000 0.818 577 S CB -0.246 62.947 63.200 -0.011 0.000 1.130 577 S HN -0.003 nan 8.310 nan 0.000 0.476 578 W N 1.346 122.696 121.300 0.084 0.000 3.123 578 W HA 0.365 5.025 4.660 -0.000 0.000 0.383 578 W C 0.753 177.360 176.519 0.146 0.000 1.102 578 W CA -0.459 56.950 57.345 0.107 0.000 1.865 578 W CB 0.333 29.819 29.460 0.044 0.000 1.111 578 W HN 0.747 nan 8.180 nan 0.000 0.621 579 D N 0.743 121.343 120.400 0.332 0.000 2.383 579 D HA -0.147 4.493 4.640 -0.000 0.000 0.233 579 D C 1.085 177.503 176.300 0.196 0.000 1.233 579 D CA 0.839 54.979 54.000 0.234 0.000 0.881 579 D CB 1.170 42.091 40.800 0.201 0.000 1.212 579 D HN 0.037 nan 8.370 nan 0.000 0.467 580 Q N 1.285 121.134 119.800 0.082 0.000 2.224 580 Q HA -0.101 4.239 4.340 -0.000 0.000 0.203 580 Q C 1.821 177.779 176.000 -0.071 0.000 0.970 580 Q CA 0.903 56.729 55.803 0.037 0.000 0.865 580 Q CB -0.364 28.381 28.738 0.012 0.000 0.922 580 Q HN 0.583 nan 8.270 nan 0.000 0.445 581 M N -1.282 118.176 119.600 -0.236 0.000 2.267 581 M HA -0.170 4.309 4.480 -0.000 0.000 0.263 581 M C 0.059 175.921 176.300 -0.731 0.000 1.063 581 M CA 1.553 56.507 55.300 -0.577 0.000 1.090 581 M CB 0.045 32.115 32.600 -0.883 0.000 1.392 581 M HN 0.285 nan 8.290 nan 0.000 0.422 582 W N 0.633 121.922 121.300 -0.018 0.000 2.926 582 W HA 0.232 4.891 4.660 -0.000 0.000 0.419 582 W C 1.581 178.113 176.519 0.021 0.000 0.993 582 W CA -0.622 56.678 57.345 -0.074 0.000 2.025 582 W CB -0.032 29.302 29.460 -0.210 0.000 1.152 582 W HN 0.195 nan 8.180 nan 0.000 0.659 583 K N 0.244 120.744 120.400 0.167 0.000 2.281 583 K HA -0.198 4.122 4.320 -0.000 0.000 0.203 583 K C 1.659 178.354 176.600 0.158 0.000 1.046 583 K CA 1.661 58.056 56.287 0.180 0.000 0.938 583 K CB -1.013 31.549 32.500 0.104 0.000 0.737 583 K HN 0.360 nan 8.250 nan 0.000 0.458 584 C N -0.188 119.172 119.300 0.099 0.000 2.485 584 C HA 0.176 4.636 4.460 -0.000 0.000 0.283 584 C C 1.695 176.746 174.990 0.102 0.000 1.478 584 C CA -0.365 58.707 59.018 0.090 0.000 1.741 584 C CB -1.081 26.687 27.740 0.047 0.000 1.675 584 C HN 0.405 nan 8.230 nan 0.000 0.573 585 L N 0.017 121.322 121.223 0.137 0.000 2.672 585 L HA 0.424 4.763 4.340 -0.000 0.000 0.236 585 L C 2.213 179.292 176.870 0.349 0.000 1.092 585 L CA 0.488 55.429 54.840 0.169 0.000 0.887 585 L CB -0.598 41.505 42.059 0.073 0.000 1.168 585 L HN 0.267 nan 8.230 nan 0.000 0.502 586 I N 0.248 121.011 120.570 0.322 0.000 2.185 586 I HA -0.398 3.771 4.170 -0.000 0.000 0.246 586 I C 2.232 178.376 176.117 0.044 0.000 1.088 586 I CA 1.315 62.677 61.300 0.104 0.000 1.347 586 I CB -0.269 37.763 38.000 0.054 0.000 1.041 586 I HN 0.350 nan 8.210 nan 0.000 0.415 587 R N 0.885 121.452 120.500 0.113 0.000 2.211 587 R HA -0.153 4.187 4.340 -0.000 0.000 0.240 587 R C 1.651 178.001 176.300 0.083 0.000 1.144 587 R CA 1.221 57.380 56.100 0.098 0.000 0.992 587 R CB -0.522 29.869 30.300 0.152 0.000 0.869 587 R HN 0.422 nan 8.270 nan 0.000 0.462 588 L N 0.356 121.648 121.223 0.116 0.000 2.693 588 L HA 0.177 4.517 4.340 -0.000 0.000 0.235 588 L C 2.162 179.064 176.870 0.055 0.000 1.127 588 L CA -0.122 54.777 54.840 0.099 0.000 0.914 588 L CB 0.106 42.253 42.059 0.148 0.000 1.193 588 L HN 0.036 nan 8.230 nan 0.000 0.502 589 K N 1.764 122.153 120.400 -0.019 0.000 2.059 589 K HA -0.172 4.148 4.320 -0.000 0.000 0.212 589 K C -0.509 175.989 176.600 -0.169 0.000 1.050 589 K CA 1.851 58.020 56.287 -0.197 0.000 0.927 589 K CB -0.608 31.504 32.500 -0.646 0.000 0.714 589 K HN 0.182 nan 8.250 nan 0.000 0.447 590 P HA -0.128 nan 4.420 nan 0.000 0.221 590 P C 1.165 178.410 177.300 -0.091 0.000 1.150 590 P CA 1.413 64.465 63.100 -0.080 0.000 0.800 590 P CB -0.029 31.652 31.700 -0.031 0.000 0.787 591 T N -1.757 112.738 114.554 -0.098 0.000 3.057 591 T HA 0.108 4.457 4.350 -0.000 0.000 0.254 591 T C 0.785 175.362 174.700 -0.204 0.000 1.094 591 T CA -0.047 62.010 62.100 -0.072 0.000 1.088 591 T CB -0.519 68.350 68.868 0.002 0.000 0.934 591 T HN -0.081 nan 8.240 nan 0.000 0.497 592 L N 3.136 124.184 121.223 -0.292 0.000 2.281 592 L HA 0.484 4.824 4.340 -0.000 0.000 0.285 592 L C -0.072 176.521 176.870 -0.460 0.000 1.074 592 L CA -0.666 54.038 54.840 -0.227 0.000 0.817 592 L CB 0.607 42.648 42.059 -0.030 0.000 1.168 592 L HN 0.348 nan 8.230 nan 0.000 0.434 593 H N 1.849 120.946 119.070 0.045 0.000 2.985 593 H HA 0.672 5.228 4.556 -0.000 0.000 0.360 593 H C 0.203 175.533 175.328 0.004 0.000 1.221 593 H CA -0.044 56.024 56.048 0.033 0.000 1.121 593 H CB 2.169 31.947 29.762 0.027 0.000 1.854 593 H HN 0.706 nan 8.280 nan 0.000 0.551 594 G N 1.018 109.904 108.800 0.144 0.000 2.660 594 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.247 594 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.247 594 G C -2.895 172.008 174.900 0.005 0.000 1.328 594 G CA -0.856 44.277 45.100 0.055 0.000 0.884 594 G HN 0.518 nan 8.290 nan 0.000 0.531 595 P HA 0.388 nan 4.420 nan 0.000 0.278 595 P C 0.071 177.314 177.300 -0.095 0.000 1.238 595 P CA 0.072 63.140 63.100 -0.054 0.000 0.794 595 P CB 0.819 32.493 31.700 -0.043 0.000 0.955 596 T N 4.896 119.360 114.554 -0.149 0.000 2.853 596 T HA 0.170 4.520 4.350 -0.000 0.000 0.298 596 T C -1.907 172.678 174.700 -0.191 0.000 0.978 596 T CA -0.777 61.192 62.100 -0.218 0.000 1.152 596 T CB -0.418 68.266 68.868 -0.307 0.000 0.914 596 T HN 0.349 nan 8.240 nan 0.000 0.539 597 P HA 0.166 nan 4.420 nan 0.000 0.252 597 P C -0.272 176.873 177.300 -0.258 0.000 1.727 597 P CA -0.604 62.393 63.100 -0.172 0.000 1.134 597 P CB -0.102 31.498 31.700 -0.167 0.000 1.876 598 L N 3.375 124.455 121.223 -0.238 0.000 2.462 598 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 598 L C 1.148 177.817 176.870 -0.335 0.000 1.166 598 L CA 0.456 55.117 54.840 -0.298 0.000 0.880 598 L CB 0.105 42.027 42.059 -0.228 0.000 1.142 598 L HN 0.217 nan 8.230 nan 0.000 0.473 599 L N 5.530 126.418 121.223 -0.558 0.000 2.298 599 L HA 0.175 4.515 4.340 -0.000 0.000 0.209 599 L C -0.567 175.873 176.870 -0.717 0.000 1.084 599 L CA -0.052 54.349 54.840 -0.732 0.000 0.816 599 L CB -0.261 41.067 42.059 -1.219 0.000 0.967 599 L HN 0.711 nan 8.230 nan 0.000 0.460 600 Y N -2.729 117.412 120.300 -0.265 0.000 2.851 600 Y HA 0.476 5.026 4.550 -0.000 0.000 0.359 600 Y C -0.980 174.737 175.900 -0.304 0.000 1.231 600 Y CA -2.273 55.530 58.100 -0.494 0.000 1.106 600 Y CB 0.456 38.303 38.460 -1.022 0.000 1.409 600 Y HN -0.205 nan 8.280 nan 0.000 0.454 601 R N 1.315 121.781 120.500 -0.058 0.000 2.310 601 R HA 0.628 4.967 4.340 -0.000 0.000 0.324 601 R C -0.514 175.821 176.300 0.059 0.000 0.955 601 R CA -0.554 55.562 56.100 0.027 0.000 0.830 601 R CB 1.247 31.547 30.300 -0.000 0.000 1.154 601 R HN 0.786 nan 8.270 nan 0.000 0.458 602 L N 1.525 122.831 121.223 0.138 0.000 2.808 602 L HA 0.415 4.755 4.340 -0.000 0.000 0.246 602 L C 0.737 177.673 176.870 0.111 0.000 1.153 602 L CA -0.232 54.662 54.840 0.090 0.000 0.956 602 L CB 0.812 42.930 42.059 0.099 0.000 1.270 602 L HN 0.888 nan 8.230 nan 0.000 0.528 603 G N -0.306 108.571 108.800 0.128 0.000 2.323 603 G HA2 0.436 4.396 3.960 -0.000 0.000 0.291 603 G HA3 0.436 4.396 3.960 -0.000 0.000 0.291 603 G C -1.513 173.451 174.900 0.107 0.000 1.278 603 G CA -0.217 44.951 45.100 0.114 0.000 0.860 603 G HN -0.039 nan 8.290 nan 0.000 0.504 604 A N -0.863 122.014 122.820 0.095 0.000 2.511 604 A HA 0.531 4.850 4.320 -0.000 0.000 0.242 604 A C 0.162 177.781 177.584 0.058 0.000 1.069 604 A CA 0.159 52.236 52.037 0.067 0.000 0.763 604 A CB 0.377 19.414 19.000 0.061 0.000 1.001 604 A HN 1.508 nan 8.150 nan 0.000 0.498 605 V N 4.145 124.067 119.914 0.014 0.000 2.313 605 V HA 0.176 4.296 4.120 -0.000 0.000 0.278 605 V C 0.686 176.757 176.094 -0.039 0.000 1.017 605 V CA -0.182 62.097 62.300 -0.036 0.000 0.823 605 V CB 0.681 32.466 31.823 -0.063 0.000 1.010 605 V HN 1.104 nan 8.190 nan 0.000 0.443 606 Q N 2.079 121.851 119.800 -0.048 0.000 2.349 606 Q HA 0.076 4.416 4.340 -0.000 0.000 0.209 606 Q C 0.905 176.877 176.000 -0.046 0.000 0.920 606 Q CA 0.156 55.942 55.803 -0.028 0.000 0.901 606 Q CB 0.334 29.075 28.738 0.005 0.000 1.021 606 Q HN 0.714 nan 8.270 nan 0.000 0.519 607 N N 1.571 120.213 118.700 -0.097 0.000 2.354 607 N HA -0.020 4.720 4.740 -0.000 0.000 0.246 607 N C -0.570 174.888 175.510 -0.087 0.000 1.285 607 N CA 0.143 53.135 53.050 -0.097 0.000 0.925 607 N CB 0.671 39.057 38.487 -0.169 0.000 1.174 607 N HN -0.019 nan 8.380 nan 0.000 0.478 608 E N -0.464 119.696 120.200 -0.066 0.000 2.374 608 E HA 0.278 4.628 4.350 -0.000 0.000 0.260 608 E C -0.763 175.787 176.600 -0.083 0.000 1.101 608 E CA -0.440 55.925 56.400 -0.058 0.000 0.907 608 E CB 0.982 30.661 29.700 -0.035 0.000 1.014 608 E HN 0.203 nan 8.360 nan 0.000 0.427 609 V N 1.200 121.070 119.914 -0.073 0.000 2.735 609 V HA 0.332 4.451 4.120 -0.000 0.000 0.310 609 V C -0.069 175.985 176.094 -0.065 0.000 1.061 609 V CA -0.639 61.608 62.300 -0.089 0.000 0.913 609 V CB 2.073 33.842 31.823 -0.089 0.000 1.005 609 V HN 0.687 nan 8.190 nan 0.000 0.428 610 T N 3.954 118.467 114.554 -0.068 0.000 2.885 610 T HA 0.626 4.976 4.350 -0.000 0.000 0.285 610 T C -0.026 174.651 174.700 -0.040 0.000 1.019 610 T CA -0.442 61.633 62.100 -0.042 0.000 1.010 610 T CB 1.109 69.960 68.868 -0.028 0.000 1.022 610 T HN 0.502 nan 8.240 nan 0.000 0.466 611 L N 3.814 125.023 121.223 -0.022 0.000 2.965 611 L HA 0.230 4.569 4.340 -0.000 0.000 0.254 611 L C 2.062 178.938 176.870 0.009 0.000 1.220 611 L CA -0.141 54.691 54.840 -0.013 0.000 1.023 611 L CB 0.035 42.084 42.059 -0.017 0.000 1.355 611 L HN 0.840 nan 8.230 nan 0.000 0.545 612 T N -5.175 109.390 114.554 0.017 0.000 3.054 612 T HA -0.036 4.313 4.350 -0.000 0.000 0.259 612 T C 1.041 175.757 174.700 0.027 0.000 1.092 612 T CA 0.055 62.164 62.100 0.015 0.000 1.121 612 T CB -0.143 68.726 68.868 0.002 0.000 0.912 612 T HN 0.200 nan 8.240 nan 0.000 0.489 613 H N 3.028 122.084 119.070 -0.025 0.000 2.972 613 H HA 0.075 4.631 4.556 -0.000 0.000 0.343 613 H C -1.737 173.598 175.328 0.012 0.000 1.054 613 H CA -1.125 54.915 56.048 -0.014 0.000 1.412 613 H CB 1.430 31.173 29.762 -0.031 0.000 1.385 613 H HN 0.020 nan 8.280 nan 0.000 0.600 614 P HA -0.150 nan 4.420 nan 0.000 0.218 614 P C 1.644 179.048 177.300 0.173 0.000 1.149 614 P CA 0.739 63.822 63.100 -0.027 0.000 0.817 614 P CB 0.365 31.988 31.700 -0.127 0.000 0.785 615 I N -0.842 119.958 120.570 0.383 0.000 2.252 615 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 615 I C 1.977 178.240 176.117 0.242 0.000 1.102 615 I CA 1.745 63.242 61.300 0.328 0.000 1.385 615 I CB -2.033 36.169 38.000 0.336 0.000 1.064 615 I HN 0.015 nan 8.210 nan 0.000 0.414 616 T N 1.458 116.121 114.554 0.183 0.000 2.684 616 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 616 T C 1.935 176.689 174.700 0.089 0.000 1.036 616 T CA 1.462 63.607 62.100 0.074 0.000 1.148 616 T CB -0.158 68.728 68.868 0.031 0.000 0.863 616 T HN 0.343 nan 8.240 nan 0.000 0.436 617 K N -0.078 120.384 120.400 0.104 0.000 2.097 617 K HA -0.117 4.202 4.320 -0.000 0.000 0.206 617 K C 2.141 178.800 176.600 0.097 0.000 1.049 617 K CA 1.327 57.661 56.287 0.079 0.000 0.933 617 K CB -0.342 32.196 32.500 0.063 0.000 0.717 617 K HN 0.408 nan 8.250 nan 0.000 0.442 618 Y N 1.939 122.260 120.300 0.035 0.000 2.114 618 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 618 Y C 1.900 177.816 175.900 0.026 0.000 1.143 618 Y CA 1.435 59.551 58.100 0.027 0.000 1.135 618 Y CB -0.190 38.290 38.460 0.033 0.000 0.980 618 Y HN -0.081 nan 8.280 nan 0.000 0.499 619 I N -0.207 120.425 120.570 0.104 0.000 2.226 619 I HA -0.373 3.797 4.170 -0.000 0.000 0.245 619 I C 2.426 178.547 176.117 0.007 0.000 1.100 619 I CA 1.741 63.068 61.300 0.045 0.000 1.374 619 I CB -0.478 37.640 38.000 0.196 0.000 1.057 619 I HN 0.326 nan 8.210 nan 0.000 0.413 620 M N 0.538 120.150 119.600 0.020 0.000 2.144 620 M HA -0.228 4.252 4.480 -0.000 0.000 0.260 620 M C 2.550 178.828 176.300 -0.037 0.000 1.067 620 M CA 2.096 57.403 55.300 0.012 0.000 1.095 620 M CB -0.549 32.058 32.600 0.011 0.000 1.365 620 M HN 0.338 nan 8.290 nan 0.000 0.406 621 A N -0.486 122.274 122.820 -0.099 0.000 1.933 621 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 621 A C 2.248 179.726 177.584 -0.176 0.000 1.175 621 A CA 1.633 53.586 52.037 -0.141 0.000 0.628 621 A CB -1.263 17.629 19.000 -0.179 0.000 0.814 621 A HN 0.627 nan 8.150 nan 0.000 0.444 622 C N -0.461 118.683 119.300 -0.260 0.000 2.410 622 C HA -0.120 4.340 4.460 -0.000 0.000 0.281 622 C C 2.636 177.636 174.990 0.016 0.000 1.318 622 C CA 1.176 60.072 59.018 -0.203 0.000 1.776 622 C CB -1.118 26.422 27.740 -0.333 0.000 1.942 622 C HN 0.567 nan 8.230 nan 0.000 0.508 623 M N 0.666 120.287 119.600 0.035 0.000 2.549 623 M HA -0.043 4.437 4.480 -0.000 0.000 0.260 623 M C 1.912 178.140 176.300 -0.120 0.000 1.076 623 M CA 1.025 56.316 55.300 -0.015 0.000 1.090 623 M CB -1.429 31.181 32.600 0.016 0.000 1.418 623 M HN 0.271 nan 8.290 nan 0.000 0.486 624 S N 0.397 116.042 115.700 -0.092 0.000 2.603 624 S HA 0.275 4.745 4.470 -0.000 0.000 0.220 624 S C 1.020 175.551 174.600 -0.115 0.000 0.967 624 S CA -0.047 58.094 58.200 -0.098 0.000 0.920 624 S CB -0.208 62.949 63.200 -0.072 0.000 0.773 624 S HN 0.500 nan 8.310 nan 0.000 0.529 625 A N 1.892 124.636 122.820 -0.127 0.000 2.425 625 A HA 0.226 4.546 4.320 -0.000 0.000 0.242 625 A C -0.185 177.286 177.584 -0.188 0.000 1.077 625 A CA -0.449 51.512 52.037 -0.127 0.000 0.781 625 A CB 0.062 19.012 19.000 -0.082 0.000 1.020 625 A HN 0.174 nan 8.150 nan 0.000 0.494 626 D N 0.624 120.941 120.400 -0.137 0.000 2.520 626 D HA 0.224 4.864 4.640 -0.000 0.000 0.243 626 D C -0.516 175.648 176.300 -0.226 0.000 1.160 626 D CA 1.213 55.130 54.000 -0.139 0.000 0.877 626 D CB 0.156 40.910 40.800 -0.077 0.000 1.150 626 D HN 0.357 nan 8.370 nan 0.000 0.494 627 L N 2.587 123.638 121.223 -0.288 0.000 2.377 627 L HA 0.215 4.554 4.340 -0.000 0.000 0.270 627 L C 0.453 177.235 176.870 -0.147 0.000 0.991 627 L CA -0.611 53.978 54.840 -0.418 0.000 0.851 627 L CB 1.625 43.165 42.059 -0.866 0.000 1.218 627 L HN 0.286 nan 8.230 nan 0.000 0.420 628 E N 3.812 124.031 120.200 0.031 0.000 2.290 628 E HA 0.412 4.762 4.350 -0.000 0.000 0.277 628 E C -1.040 175.650 176.600 0.150 0.000 1.035 628 E CA -0.434 56.005 56.400 0.064 0.000 0.873 628 E CB 1.235 30.948 29.700 0.022 0.000 1.029 628 E HN 0.398 nan 8.360 nan 0.000 0.419 629 V N 1.690 121.646 119.914 0.069 0.000 2.962 629 V HA 0.562 4.682 4.120 -0.000 0.000 0.313 629 V C 0.019 176.095 176.094 -0.031 0.000 1.099 629 V CA -1.074 61.267 62.300 0.069 0.000 0.971 629 V CB 1.198 33.095 31.823 0.124 0.000 1.028 629 V HN 0.470 nan 8.190 nan 0.000 0.430 630 V N 0.896 120.743 119.914 -0.112 0.000 2.775 630 V HA 0.722 4.842 4.120 -0.000 0.000 0.299 630 V C 0.743 176.821 176.094 -0.026 0.000 1.062 630 V CA 0.606 62.791 62.300 -0.191 0.000 1.063 630 V CB 0.689 32.212 31.823 -0.499 0.000 0.994 630 V HN 1.381 nan 8.190 nan 0.000 0.483 631 T N 0.000 114.591 114.554 0.062 0.000 3.816 631 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 631 T CA 0.000 62.184 62.100 0.141 0.000 1.349 631 T CB 0.000 69.026 68.868 0.263 0.000 0.612 631 T HN 0.000 nan 8.240 nan 0.000 0.658