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 2vc9_1_A DATA FIRST_RESID 26 DATA SEQUENCE GVEITEGVTV TAKGNTEGNT ADLAIDGDLS TYWESSNDYK WIEVDLGGIY DATA SEQUENCE ELSKIEIFNK DEAVYKYNIY ASEDGENFNK IAYKNNDNVS DSNGNMHTID DATA SEQUENCE NVRAGKIRID VVQNSNSDRV NIAEINVFGK NTGESLPEVK KIATSNFSET DATA SEQUENCE PWATEYEKFN SDSAYANEKT LNEIKNLVGR VIGREFKDKF IFEIRDQLNG DATA SEQUENCE NDVFEVSDSG DGKVLIKGNN GVSLASGFNY YLKNYCNVSY NPIMGSNLKM DATA SEQUENCE PETMPSVGER VVIDTPYEHR YALNFCTYSY TMSFWDWDQY EEFLDWCAMN DATA SEQUENCE GVNLVLDIIG QEEVLRRTLN EFGYSDEEVK EFISGPAYFA WFYMQNMTGF DATA SEQUENCE GGPLPNDWFE QRAELGRKMH DRMQSFGINP VLQGYSGMVP RDFKEKNQEA DATA SEQUENCE QTISQGGWCG FDRPDMLKTY VNEGEADYFQ KVADVFYEKQ KEVFGDVTNF DATA SEQUENCE YGVDPFHEGG NTGDLDNGKI YEIIQNKMIE HDNDAVWVIQ NWQGNPSNNK DATA SEQUENCE LEGLTKKDQA MVLDLFSEVS PDWNRLEERD LPWIWNMLHN FGGRMGMDAA DATA SEQUENCE PEKLATEIPK ALANSEHMVG IGITPEAINT NPLAYELLFD MAWTRDQINF DATA SEQUENCE RTWTEDYIER RYGKTNKEIL EAWNIILDTA YKKRNDYYQG AAESIINARP DATA SEQUENCE GFGIKSASTW GHSKIVYDKS EFEKAIEIFA KNYDEFKDSD AFLYDFADIL DATA SEQUENCE KQLLANSAQE YYEVMCNAYN NGNGEKFKFV SGKFLELIKL QERVLSTRPE DATA SEQUENCE FLIGNWIEDA RTMLKDSDDW TKDLFEFNAR ALVTTWGSRN NADGGGLKDY DATA SEQUENCE SNRQWSGLTE DYYYARWEKW INGLQAELDG GAKAPNIDWF KMEYDWVNKK DATA SEQUENCE SDTDKLYPTE ASNENLGELA KIAMESYSVT NMDK 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 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 4.067 3.960 0.179 0.000 0.244 26 G C 0.000 175.011 174.900 0.185 0.000 0.946 26 G CA 0.000 45.241 45.100 0.236 0.000 0.502 27 V N -1.234 118.784 119.914 0.173 0.000 2.743 27 V HA 0.762 4.989 4.120 0.179 0.000 0.301 27 V C 0.480 176.658 176.094 0.140 0.000 1.057 27 V CA -0.562 61.843 62.300 0.175 0.000 1.006 27 V CB 1.603 33.493 31.823 0.111 0.000 1.024 27 V HN 0.929 nan 8.190 nan 0.000 0.473 28 E N 3.265 123.511 120.200 0.078 0.000 2.415 28 E HA 0.197 4.655 4.350 0.179 0.000 0.260 28 E C -0.308 176.148 176.600 -0.240 0.000 1.016 28 E CA -0.240 55.978 56.400 -0.302 0.000 0.924 28 E CB 0.437 29.936 29.700 -0.334 0.000 0.961 28 E HN 0.731 nan 8.360 nan 0.000 0.459 29 I N 5.284 125.645 120.570 -0.349 0.000 2.389 29 I HA -0.009 4.268 4.170 0.179 0.000 0.295 29 I C 0.949 176.915 176.117 -0.252 0.000 1.117 29 I CA 0.215 61.310 61.300 -0.341 0.000 1.317 29 I CB 0.164 37.795 38.000 -0.614 0.000 1.431 29 I HN 0.548 nan 8.210 nan 0.000 0.521 30 T N 1.214 115.679 114.554 -0.149 0.000 3.252 30 T HA 0.280 4.737 4.350 0.179 0.000 0.286 30 T C 0.020 174.679 174.700 -0.067 0.000 1.013 30 T CA -0.464 61.570 62.100 -0.110 0.000 0.914 30 T CB 0.087 68.910 68.868 -0.076 0.000 1.131 30 T HN 0.643 nan 8.240 nan 0.000 0.529 31 E N 0.012 120.177 120.200 -0.059 0.000 2.378 31 E HA 0.437 4.894 4.350 0.179 0.000 0.283 31 E C 0.272 176.865 176.600 -0.012 0.000 0.979 31 E CA 0.047 56.432 56.400 -0.025 0.000 0.795 31 E CB 1.226 30.925 29.700 -0.002 0.000 1.221 31 E HN 0.385 nan 8.360 nan 0.000 0.428 32 G N 1.923 110.719 108.800 -0.007 0.000 2.179 32 G HA2 -0.251 3.816 3.960 0.179 0.000 0.260 32 G HA3 -0.251 3.816 3.960 0.179 0.000 0.260 32 G C 0.200 175.098 174.900 -0.004 0.000 0.977 32 G CA 0.341 45.446 45.100 0.008 0.000 0.641 32 G HN 0.933 nan 8.290 nan 0.000 0.533 33 V N 1.587 121.481 119.914 -0.033 0.000 2.509 33 V HA 0.882 5.109 4.120 0.179 0.000 0.284 33 V C 0.425 176.497 176.094 -0.037 0.000 1.047 33 V CA 0.993 63.265 62.300 -0.046 0.000 0.952 33 V CB 1.517 33.286 31.823 -0.089 0.000 0.988 33 V HN 1.165 nan 8.190 nan 0.000 0.469 34 T N 3.315 117.849 114.554 -0.033 0.000 2.887 34 T HA 0.766 5.224 4.350 0.179 0.000 0.292 34 T C -0.749 173.923 174.700 -0.047 0.000 1.087 34 T CA -0.653 61.426 62.100 -0.035 0.000 1.009 34 T CB 1.670 70.522 68.868 -0.026 0.000 1.203 34 T HN 1.246 nan 8.240 nan 0.000 0.518 35 V N 1.344 121.221 119.914 -0.061 0.000 2.888 35 V HA 0.815 5.042 4.120 0.179 0.000 0.309 35 V C -0.634 175.390 176.094 -0.116 0.000 1.114 35 V CA -0.093 62.151 62.300 -0.094 0.000 0.940 35 V CB 2.280 34.035 31.823 -0.114 0.000 1.021 35 V HN 1.510 nan 8.190 nan 0.000 0.426 36 T N 3.243 117.704 114.554 -0.156 0.000 2.924 36 T HA 0.973 5.430 4.350 0.179 0.000 0.291 36 T C -0.400 174.113 174.700 -0.313 0.000 1.045 36 T CA -0.133 61.855 62.100 -0.188 0.000 1.015 36 T CB 1.933 70.706 68.868 -0.159 0.000 1.103 36 T HN 1.750 nan 8.240 nan 0.000 0.496 37 A N 0.924 123.557 122.820 -0.312 0.000 2.566 37 A HA 0.739 5.166 4.320 0.179 0.000 0.292 37 A C 0.222 177.610 177.584 -0.327 0.000 1.112 37 A CA -0.980 50.806 52.037 -0.418 0.000 0.707 37 A CB 1.546 20.320 19.000 -0.377 0.000 1.302 37 A HN 0.841 nan 8.150 nan 0.000 0.409 38 K N -0.113 120.039 120.400 -0.413 0.000 2.358 38 K HA 0.358 4.785 4.320 0.179 0.000 0.197 38 K C 0.497 177.097 176.600 0.001 0.000 1.025 38 K CA 0.696 56.782 56.287 -0.335 0.000 1.104 38 K CB 0.940 32.943 32.500 -0.828 0.000 0.855 38 K HN 0.894 nan 8.250 nan 0.000 0.531 39 G N 1.465 110.338 108.800 0.121 0.000 2.632 39 G HA2 0.285 4.352 3.960 0.179 0.000 0.292 39 G HA3 0.285 4.352 3.960 0.179 0.000 0.292 39 G C -2.026 173.056 174.900 0.303 0.000 1.465 39 G CA -0.766 44.466 45.100 0.219 0.000 0.824 39 G HN 0.124 nan 8.290 nan 0.000 0.509 40 N N -0.693 118.122 118.700 0.191 0.000 2.815 40 N HA 0.415 5.263 4.740 0.179 0.000 0.253 40 N C -0.378 175.153 175.510 0.035 0.000 1.202 40 N CA -0.466 52.649 53.050 0.109 0.000 0.925 40 N CB 1.581 40.179 38.487 0.186 0.000 1.622 40 N HN 0.789 nan 8.380 nan 0.000 0.497 41 T N -1.728 112.809 114.554 -0.029 0.000 2.898 41 T HA 0.290 4.747 4.350 0.179 0.000 0.301 41 T C 0.086 174.778 174.700 -0.015 0.000 1.049 41 T CA -0.139 61.952 62.100 -0.014 0.000 1.095 41 T CB 1.316 70.172 68.868 -0.020 0.000 0.976 41 T HN 0.617 nan 8.240 nan 0.000 0.539 42 E N -0.148 120.047 120.200 -0.008 0.000 2.207 42 E HA 0.557 5.014 4.350 0.179 0.000 0.270 42 E C 0.079 176.659 176.600 -0.035 0.000 0.927 42 E CA -0.969 55.420 56.400 -0.018 0.000 0.799 42 E CB 1.281 30.979 29.700 -0.002 0.000 1.172 42 E HN 0.920 nan 8.360 nan 0.000 0.404 43 G N 3.223 111.988 108.800 -0.058 0.000 4.649 43 G HA2 0.114 4.181 3.960 0.179 0.000 0.312 43 G HA3 0.114 4.181 3.960 0.179 0.000 0.312 43 G C -0.669 174.175 174.900 -0.094 0.000 1.403 43 G CA -0.458 44.610 45.100 -0.053 0.000 1.248 43 G HN 0.404 nan 8.290 nan 0.000 0.581 44 N N 2.192 120.829 118.700 -0.106 0.000 2.949 44 N HA 0.137 4.985 4.740 0.179 0.000 0.243 44 N C 0.379 175.895 175.510 0.010 0.000 1.113 44 N CA -0.073 52.881 53.050 -0.160 0.000 0.980 44 N CB 1.371 39.726 38.487 -0.221 0.000 1.256 44 N HN 0.463 nan 8.380 nan 0.000 0.508 45 T N -2.937 111.659 114.554 0.070 0.000 2.927 45 T HA 0.533 4.990 4.350 0.179 0.000 0.281 45 T C 1.555 176.415 174.700 0.266 0.000 0.998 45 T CA -0.653 61.549 62.100 0.169 0.000 1.019 45 T CB 1.860 70.771 68.868 0.072 0.000 1.061 45 T HN 0.208 nan 8.240 nan 0.000 0.518 46 A N 1.932 124.883 122.820 0.219 0.000 1.896 46 A HA -0.241 4.186 4.320 0.179 0.000 0.220 46 A C 2.079 179.672 177.584 0.014 0.000 1.206 46 A CA 2.324 54.370 52.037 0.016 0.000 0.647 46 A CB -1.367 17.552 19.000 -0.134 0.000 0.828 46 A HN 1.042 nan 8.150 nan 0.000 0.455 47 D N 0.219 120.626 120.400 0.012 0.000 2.271 47 D HA -0.180 4.568 4.640 0.179 0.000 0.207 47 D C 1.693 178.007 176.300 0.024 0.000 0.983 47 D CA 1.269 55.271 54.000 0.003 0.000 0.878 47 D CB -0.562 40.235 40.800 -0.005 0.000 0.920 47 D HN 0.541 nan 8.370 nan 0.000 0.479 48 L N 0.235 121.493 121.223 0.058 0.000 2.465 48 L HA 0.033 4.480 4.340 0.179 0.000 0.224 48 L C 2.548 179.480 176.870 0.103 0.000 1.145 48 L CA 0.631 55.506 54.840 0.058 0.000 0.834 48 L CB -0.288 41.787 42.059 0.027 0.000 0.944 48 L HN 0.062 nan 8.230 nan 0.000 0.451 49 A N 0.575 123.473 122.820 0.130 0.000 2.208 49 A HA 0.062 4.489 4.320 0.179 0.000 0.209 49 A C 1.601 179.221 177.584 0.060 0.000 1.161 49 A CA 0.567 52.684 52.037 0.132 0.000 0.782 49 A CB -0.317 18.759 19.000 0.127 0.000 0.816 49 A HN 0.574 nan 8.150 nan 0.000 0.477 50 I N -4.014 116.571 120.570 0.025 0.000 3.597 50 I HA 0.276 4.554 4.170 0.179 0.000 0.323 50 I C -0.062 176.046 176.117 -0.015 0.000 1.535 50 I CA -0.133 61.164 61.300 -0.006 0.000 1.028 50 I CB 0.703 38.686 38.000 -0.029 0.000 1.354 50 I HN 0.014 nan 8.210 nan 0.000 0.544 51 D N 0.915 121.310 120.400 -0.007 0.000 2.340 51 D HA 0.178 4.925 4.640 0.179 0.000 0.217 51 D C 1.569 177.853 176.300 -0.027 0.000 1.081 51 D CA 0.345 54.335 54.000 -0.017 0.000 0.842 51 D CB 0.207 41.000 40.800 -0.012 0.000 0.934 51 D HN 0.485 nan 8.370 nan 0.000 0.511 52 G N 0.479 109.259 108.800 -0.034 0.000 2.168 52 G HA2 -0.269 3.798 3.960 0.179 0.000 0.257 52 G HA3 -0.269 3.798 3.960 0.179 0.000 0.257 52 G C -0.406 174.456 174.900 -0.063 0.000 0.997 52 G CA 0.306 45.376 45.100 -0.050 0.000 0.708 52 G HN 0.575 nan 8.290 nan 0.000 0.520 53 D N -0.399 119.969 120.400 -0.053 0.000 2.505 53 D HA 0.490 5.238 4.640 0.179 0.000 0.250 53 D C 1.186 177.455 176.300 -0.051 0.000 1.164 53 D CA -0.846 53.124 54.000 -0.051 0.000 0.870 53 D CB 0.992 41.776 40.800 -0.027 0.000 1.160 53 D HN -0.120 nan 8.370 nan 0.000 0.549 54 L N 2.880 124.046 121.223 -0.094 0.000 2.465 54 L HA -0.029 4.419 4.340 0.179 0.000 0.224 54 L C 2.156 179.033 176.870 0.011 0.000 1.145 54 L CA 1.123 55.905 54.840 -0.097 0.000 0.834 54 L CB -0.691 41.249 42.059 -0.198 0.000 0.944 54 L HN 0.468 nan 8.230 nan 0.000 0.451 55 S N -3.320 112.395 115.700 0.026 0.000 2.503 55 S HA 0.069 4.647 4.470 0.179 0.000 0.217 55 S C 0.976 175.642 174.600 0.110 0.000 0.999 55 S CA 0.156 58.399 58.200 0.071 0.000 0.914 55 S CB -0.552 62.669 63.200 0.035 0.000 0.782 55 S HN 0.455 nan 8.310 nan 0.000 0.520 56 T N 0.453 115.049 114.554 0.069 0.000 2.895 56 T HA 0.702 5.159 4.350 0.179 0.000 0.283 56 T C -0.771 173.995 174.700 0.109 0.000 1.014 56 T CA -0.858 61.243 62.100 0.001 0.000 1.037 56 T CB 1.159 70.002 68.868 -0.042 0.000 1.006 56 T HN 0.528 nan 8.240 nan 0.000 0.468 57 Y N -0.665 119.665 120.300 0.049 0.000 2.544 57 Y HA 0.648 5.306 4.550 0.179 0.000 0.342 57 Y C -1.045 174.930 175.900 0.125 0.000 1.062 57 Y CA -2.406 55.745 58.100 0.085 0.000 1.023 57 Y CB 0.698 39.192 38.460 0.057 0.000 1.308 57 Y HN 0.962 nan 8.280 nan 0.000 0.457 58 W N 3.946 125.355 121.300 0.181 0.000 2.218 58 W HA 0.550 5.317 4.660 0.178 0.000 0.326 58 W C -0.829 175.867 176.519 0.296 0.000 1.276 58 W CA -0.081 57.351 57.345 0.145 0.000 1.210 58 W CB 1.006 30.516 29.460 0.084 0.000 1.143 58 W HN 0.817 nan 8.180 nan 0.000 0.563 59 E N 4.011 123.735 120.200 -0.793 0.000 2.290 59 E HA 0.329 4.787 4.350 0.179 0.000 0.274 59 E C -0.788 175.148 176.600 -1.108 0.000 0.889 59 E CA -0.783 55.103 56.400 -0.856 0.000 0.760 59 E CB 1.463 31.096 29.700 -0.111 0.000 1.206 59 E HN 0.462 nan 8.360 nan 0.000 0.419 60 S N 2.075 117.144 115.700 -1.051 0.000 2.572 60 S HA 0.113 4.691 4.470 0.179 0.000 0.279 60 S C 0.802 175.325 174.600 -0.128 0.000 1.341 60 S CA 0.200 58.173 58.200 -0.380 0.000 1.043 60 S CB 1.392 64.539 63.200 -0.087 0.000 0.887 60 S HN 0.588 nan 8.310 nan 0.000 0.516 61 S N 1.038 116.747 115.700 0.015 0.000 2.524 61 S HA 0.160 4.737 4.470 0.179 0.000 0.222 61 S C 0.425 175.067 174.600 0.069 0.000 1.040 61 S CA 0.065 58.287 58.200 0.036 0.000 0.915 61 S CB -0.564 62.669 63.200 0.054 0.000 0.831 61 S HN 0.905 nan 8.310 nan 0.000 0.492 62 N N 0.838 119.605 118.700 0.113 0.000 3.512 62 N HA 0.368 5.215 4.740 0.179 0.000 0.360 62 N C -0.547 175.037 175.510 0.124 0.000 1.593 62 N CA -0.421 52.693 53.050 0.106 0.000 0.672 62 N CB -0.369 38.178 38.487 0.100 0.000 2.105 62 N HN -0.177 nan 8.380 nan 0.000 0.645 63 D N -1.525 118.910 120.400 0.058 0.000 2.349 63 D HA 0.011 4.758 4.640 0.179 0.000 0.215 63 D C -0.265 176.060 176.300 0.042 0.000 1.016 63 D CA 0.633 54.679 54.000 0.078 0.000 0.870 63 D CB -0.103 40.780 40.800 0.138 0.000 0.917 63 D HN 0.367 nan 8.370 nan 0.000 0.524 64 Y N 1.545 121.949 120.300 0.173 0.000 2.620 64 Y HA 0.124 4.782 4.550 0.180 0.000 0.352 64 Y C 1.296 177.306 175.900 0.183 0.000 1.140 64 Y CA -0.258 57.910 58.100 0.114 0.000 1.529 64 Y CB -0.019 38.386 38.460 -0.091 0.000 1.321 64 Y HN -0.297 nan 8.280 nan 0.000 0.501 65 K N 3.577 124.278 120.400 0.503 0.000 2.570 65 K HA 0.107 4.534 4.320 0.179 0.000 0.210 65 K C -0.635 176.385 176.600 0.700 0.000 1.048 65 K CA -0.180 56.460 56.287 0.587 0.000 1.167 65 K CB 0.388 33.159 32.500 0.452 0.000 0.892 65 K HN 0.548 nan 8.250 nan 0.000 0.480 66 W N 1.407 122.911 121.300 0.340 0.000 2.864 66 W HA 0.578 5.345 4.660 0.177 0.000 0.343 66 W C -0.713 175.642 176.519 -0.272 0.000 1.109 66 W CA -1.523 55.881 57.345 0.097 0.000 1.192 66 W CB 0.126 29.725 29.460 0.233 0.000 1.426 66 W HN -0.182 nan 8.180 nan 0.000 0.529 67 I N -0.778 119.642 120.570 -0.251 0.000 2.693 67 I HA 0.638 4.915 4.170 0.179 0.000 0.303 67 I C -0.859 175.188 176.117 -0.117 0.000 1.025 67 I CA -1.013 60.011 61.300 -0.459 0.000 1.086 67 I CB 2.592 40.161 38.000 -0.719 0.000 1.268 67 I HN 0.545 nan 8.210 nan 0.000 0.440 68 E N 3.697 123.803 120.200 -0.158 0.000 2.155 68 E HA 0.529 4.987 4.350 0.179 0.000 0.264 68 E C -1.642 174.915 176.600 -0.072 0.000 0.886 68 E CA -0.764 55.595 56.400 -0.068 0.000 0.752 68 E CB 2.077 31.739 29.700 -0.064 0.000 1.133 68 E HN 0.592 nan 8.360 nan 0.000 0.414 69 V N 4.883 124.783 119.914 -0.023 0.000 2.394 69 V HA 0.184 4.411 4.120 0.179 0.000 0.282 69 V C 0.011 176.113 176.094 0.014 0.000 1.031 69 V CA -0.676 61.610 62.300 -0.023 0.000 0.881 69 V CB 1.481 33.286 31.823 -0.031 0.000 0.982 69 V HN 0.713 nan 8.190 nan 0.000 0.451 70 D N 3.964 124.366 120.400 0.003 0.000 2.198 70 D HA 0.323 5.070 4.640 0.179 0.000 0.245 70 D C 0.469 176.773 176.300 0.006 0.000 1.079 70 D CA -0.416 53.597 54.000 0.022 0.000 0.854 70 D CB 2.011 42.824 40.800 0.021 0.000 1.148 70 D HN 0.451 nan 8.370 nan 0.000 0.456 71 L N 2.723 123.963 121.223 0.028 0.000 2.592 71 L HA 0.218 4.665 4.340 0.179 0.000 0.227 71 L C 1.640 178.570 176.870 0.100 0.000 1.127 71 L CA 0.238 55.075 54.840 -0.005 0.000 0.884 71 L CB 0.028 42.068 42.059 -0.032 0.000 1.065 71 L HN 0.767 nan 8.230 nan 0.000 0.457 72 G N 0.274 109.139 108.800 0.110 0.000 2.143 72 G HA2 -0.085 3.982 3.960 0.179 0.000 0.248 72 G HA3 -0.085 3.982 3.960 0.179 0.000 0.248 72 G C 0.452 175.454 174.900 0.170 0.000 0.991 72 G CA 0.053 45.229 45.100 0.126 0.000 0.689 72 G HN 0.815 nan 8.290 nan 0.000 0.522 73 G N -1.517 107.399 108.800 0.194 0.000 2.353 73 G HA2 0.423 4.490 3.960 0.179 0.000 0.308 73 G HA3 0.423 4.490 3.960 0.179 0.000 0.308 73 G C -0.570 174.395 174.900 0.109 0.000 1.418 73 G CA -0.455 44.692 45.100 0.078 0.000 0.966 73 G HN 0.888 nan 8.290 nan 0.000 0.638 74 I N 1.123 121.667 120.570 -0.044 0.000 2.452 74 I HA 0.335 4.612 4.170 0.179 0.000 0.287 74 I C -0.199 175.835 176.117 -0.138 0.000 1.079 74 I CA -0.042 61.249 61.300 -0.016 0.000 1.387 74 I CB 0.247 38.219 38.000 -0.046 0.000 1.404 74 I HN 0.408 nan 8.210 nan 0.000 0.522 75 Y N 3.988 124.284 120.300 -0.008 0.000 2.587 75 Y HA 0.358 5.015 4.550 0.179 0.000 0.337 75 Y C 0.098 176.002 175.900 0.006 0.000 1.065 75 Y CA -0.950 57.152 58.100 0.002 0.000 1.126 75 Y CB 1.400 39.864 38.460 0.007 0.000 1.279 75 Y HN 0.437 nan 8.280 nan 0.000 0.489 76 E N 2.619 122.919 120.200 0.166 0.000 1.993 76 E HA 0.279 4.736 4.350 0.179 0.000 0.271 76 E C -1.137 175.540 176.600 0.129 0.000 1.008 76 E CA -0.325 56.141 56.400 0.110 0.000 0.814 76 E CB 0.467 30.208 29.700 0.068 0.000 1.098 76 E HN 0.361 nan 8.360 nan 0.000 0.407 77 L N 2.101 123.393 121.223 0.116 0.000 2.453 77 L HA 0.035 4.483 4.340 0.179 0.000 0.272 77 L C 1.294 178.224 176.870 0.099 0.000 1.182 77 L CA 0.138 55.045 54.840 0.111 0.000 0.858 77 L CB 0.551 42.666 42.059 0.093 0.000 1.120 77 L HN 0.551 nan 8.230 nan 0.000 0.474 78 S N 0.141 115.910 115.700 0.115 0.000 2.593 78 S HA 0.269 4.847 4.470 0.179 0.000 0.235 78 S C 0.362 175.008 174.600 0.077 0.000 1.059 78 S CA -0.421 57.829 58.200 0.084 0.000 0.953 78 S CB 0.701 63.947 63.200 0.076 0.000 0.897 78 S HN 0.547 nan 8.310 nan 0.000 0.507 79 K N 0.693 121.177 120.400 0.139 0.000 2.546 79 K HA 0.559 4.986 4.320 0.179 0.000 0.264 79 K C -1.859 174.919 176.600 0.297 0.000 0.937 79 K CA -0.251 56.117 56.287 0.136 0.000 0.833 79 K CB 2.392 34.842 32.500 -0.083 0.000 1.378 79 K HN 0.181 nan 8.250 nan 0.000 0.432 80 I N 1.264 121.989 120.570 0.258 0.000 2.499 80 I HA 0.242 4.519 4.170 0.179 0.000 0.288 80 I C -0.482 175.809 176.117 0.291 0.000 1.048 80 I CA -0.589 60.881 61.300 0.283 0.000 1.062 80 I CB 2.388 40.496 38.000 0.181 0.000 1.238 80 I HN 0.478 nan 8.210 nan 0.000 0.426 81 E N 6.766 127.153 120.200 0.312 0.000 2.158 81 E HA 0.622 5.079 4.350 0.179 0.000 0.271 81 E C -1.445 175.215 176.600 0.100 0.000 0.911 81 E CA -0.644 55.869 56.400 0.189 0.000 0.767 81 E CB 1.859 31.746 29.700 0.312 0.000 1.120 81 E HN 0.469 nan 8.360 nan 0.000 0.405 82 I N 4.794 125.331 120.570 -0.055 0.000 2.436 82 I HA 0.342 4.619 4.170 0.179 0.000 0.289 82 I C -1.082 174.878 176.117 -0.262 0.000 1.010 82 I CA -0.502 60.745 61.300 -0.088 0.000 1.098 82 I CB 1.036 38.931 38.000 -0.175 0.000 1.266 82 I HN 0.473 nan 8.210 nan 0.000 0.434 83 F N 4.750 124.692 119.950 -0.013 0.000 2.508 83 F HA 0.504 5.138 4.527 0.179 0.000 0.325 83 F C 0.441 176.185 175.800 -0.093 0.000 1.090 83 F CA -0.693 57.291 58.000 -0.026 0.000 0.945 83 F CB 1.346 40.349 39.000 0.006 0.000 1.156 83 F HN 0.380 nan 8.300 nan 0.000 0.463 84 N N 1.244 119.947 118.700 0.006 0.000 2.525 84 N HA 0.215 5.062 4.740 0.179 0.000 0.288 84 N C 0.676 176.138 175.510 -0.080 0.000 1.242 84 N CA -0.646 52.278 53.050 -0.209 0.000 0.905 84 N CB 1.658 39.685 38.487 -0.768 0.000 1.258 84 N HN 0.664 nan 8.380 nan 0.000 0.551 85 K N -0.853 119.448 120.400 -0.164 0.000 2.365 85 K HA -0.070 4.357 4.320 0.179 0.000 0.199 85 K C -0.317 176.246 176.600 -0.061 0.000 1.045 85 K CA 1.123 57.306 56.287 -0.173 0.000 0.962 85 K CB 0.052 32.165 32.500 -0.645 0.000 0.759 85 K HN 0.588 nan 8.250 nan 0.000 0.469 86 D N -0.543 119.866 120.400 0.015 0.000 3.225 86 D HA 0.092 4.839 4.640 0.179 0.000 0.294 86 D C -0.288 176.104 176.300 0.154 0.000 1.306 86 D CA -0.775 53.277 54.000 0.085 0.000 1.019 86 D CB 0.236 41.086 40.800 0.083 0.000 1.344 86 D HN 0.045 nan 8.370 nan 0.000 0.615 87 E N -0.642 119.654 120.200 0.160 0.000 2.624 87 E HA 0.488 4.946 4.350 0.179 0.000 0.210 87 E C -0.101 176.605 176.600 0.176 0.000 0.997 87 E CA -0.499 55.996 56.400 0.159 0.000 0.999 87 E CB 1.120 30.879 29.700 0.099 0.000 1.040 87 E HN 0.496 nan 8.360 nan 0.000 0.469 88 A N 0.813 123.768 122.820 0.224 0.000 2.409 88 A HA 0.210 4.637 4.320 0.179 0.000 0.246 88 A C 0.422 178.063 177.584 0.095 0.000 1.099 88 A CA -0.247 51.825 52.037 0.059 0.000 0.789 88 A CB 0.478 19.374 19.000 -0.173 0.000 1.053 88 A HN 0.071 nan 8.150 nan 0.000 0.503 89 V N 1.225 121.110 119.914 -0.048 0.000 2.408 89 V HA 0.269 4.497 4.120 0.179 0.000 0.267 89 V C -0.809 175.236 176.094 -0.081 0.000 1.047 89 V CA 0.306 62.621 62.300 0.026 0.000 0.937 89 V CB -0.541 31.291 31.823 0.014 0.000 0.999 89 V HN 0.642 nan 8.190 nan 0.000 0.472 90 Y N 3.744 124.116 120.300 0.121 0.000 2.409 90 Y HA 0.617 5.275 4.550 0.180 0.000 0.339 90 Y C 0.332 176.297 175.900 0.108 0.000 1.033 90 Y CA -0.834 57.373 58.100 0.178 0.000 1.094 90 Y CB 1.987 40.622 38.460 0.292 0.000 1.210 90 Y HN 0.460 nan 8.280 nan 0.000 0.456 91 K N 3.253 123.806 120.400 0.254 0.000 2.397 91 K HA 0.530 4.957 4.320 0.179 0.000 0.253 91 K C -1.797 174.908 176.600 0.174 0.000 0.932 91 K CA -0.878 55.438 56.287 0.048 0.000 0.795 91 K CB 2.041 34.571 32.500 0.051 0.000 1.159 91 K HN 0.591 nan 8.250 nan 0.000 0.424 92 Y N -1.139 119.279 120.300 0.195 0.000 2.625 92 Y HA 0.539 5.197 4.550 0.179 0.000 0.338 92 Y C -1.053 174.931 175.900 0.139 0.000 1.123 92 Y CA -1.377 56.834 58.100 0.185 0.000 1.046 92 Y CB 1.314 39.888 38.460 0.191 0.000 1.299 92 Y HN 0.316 nan 8.280 nan 0.000 0.464 93 N N 1.513 120.422 118.700 0.348 0.000 2.284 93 N HA 0.598 5.445 4.740 0.179 0.000 0.300 93 N C -1.514 174.069 175.510 0.122 0.000 1.047 93 N CA -0.522 52.620 53.050 0.153 0.000 0.821 93 N CB 2.812 41.326 38.487 0.046 0.000 1.337 93 N HN 0.706 nan 8.380 nan 0.000 0.482 94 I N 1.928 122.439 120.570 -0.099 0.000 2.433 94 I HA 0.415 4.692 4.170 0.179 0.000 0.292 94 I C -0.977 175.006 176.117 -0.223 0.000 1.001 94 I CA -0.695 60.591 61.300 -0.023 0.000 1.119 94 I CB 0.972 38.978 38.000 0.010 0.000 1.289 94 I HN 0.347 nan 8.210 nan 0.000 0.438 95 Y N 3.777 124.184 120.300 0.179 0.000 2.512 95 Y HA 0.810 5.467 4.550 0.178 0.000 0.348 95 Y C 0.061 176.074 175.900 0.188 0.000 0.990 95 Y CA -0.981 57.241 58.100 0.203 0.000 1.033 95 Y CB 2.100 40.738 38.460 0.296 0.000 1.259 95 Y HN 0.584 nan 8.280 nan 0.000 0.461 96 A N 1.191 124.164 122.820 0.255 0.000 2.413 96 A HA 0.822 5.249 4.320 0.179 0.000 0.307 96 A C -1.006 176.458 177.584 -0.199 0.000 1.087 96 A CA -0.744 51.335 52.037 0.070 0.000 0.750 96 A CB 1.832 20.854 19.000 0.036 0.000 1.296 96 A HN 0.548 nan 8.150 nan 0.000 0.423 97 S N -0.691 114.725 115.700 -0.473 0.000 2.538 97 S HA 0.461 5.038 4.470 0.179 0.000 0.288 97 S C 0.279 174.675 174.600 -0.339 0.000 1.108 97 S CA 0.142 57.937 58.200 -0.675 0.000 0.971 97 S CB 1.294 63.531 63.200 -1.606 0.000 1.041 97 S HN 0.845 nan 8.310 nan 0.000 0.483 98 E N 2.373 122.439 120.200 -0.222 0.000 2.447 98 E HA 0.104 4.561 4.350 0.179 0.000 0.204 98 E C 0.279 176.814 176.600 -0.108 0.000 0.977 98 E CA 0.281 56.606 56.400 -0.124 0.000 0.950 98 E CB -0.057 29.599 29.700 -0.073 0.000 0.975 98 E HN 0.634 nan 8.360 nan 0.000 0.496 99 D N -0.196 120.126 120.400 -0.129 0.000 2.379 99 D HA 0.159 4.906 4.640 0.179 0.000 0.208 99 D C 1.473 177.728 176.300 -0.076 0.000 1.065 99 D CA 0.580 54.531 54.000 -0.082 0.000 0.848 99 D CB 0.609 41.374 40.800 -0.057 0.000 0.949 99 D HN 0.289 nan 8.370 nan 0.000 0.509 100 G N -0.063 108.654 108.800 -0.138 0.000 2.199 100 G HA2 -0.309 3.758 3.960 0.179 0.000 0.254 100 G HA3 -0.309 3.758 3.960 0.179 0.000 0.254 100 G C 1.050 175.966 174.900 0.026 0.000 0.982 100 G CA 0.439 45.500 45.100 -0.065 0.000 0.632 100 G HN 0.325 nan 8.290 nan 0.000 0.529 101 E N 0.063 120.255 120.200 -0.013 0.000 2.207 101 E HA 0.086 4.543 4.350 0.179 0.000 0.197 101 E C 0.507 177.178 176.600 0.118 0.000 0.914 101 E CA 0.032 56.482 56.400 0.082 0.000 0.914 101 E CB 0.019 29.752 29.700 0.056 0.000 0.893 101 E HN 0.448 nan 8.360 nan 0.000 0.479 102 N N 1.044 119.733 118.700 -0.019 0.000 2.426 102 N HA 0.179 5.026 4.740 0.179 0.000 0.257 102 N C -1.111 174.344 175.510 -0.092 0.000 1.002 102 N CA -0.016 53.048 53.050 0.023 0.000 0.942 102 N CB 0.579 39.069 38.487 0.006 0.000 1.112 102 N HN -0.108 nan 8.380 nan 0.000 0.499 103 F N 1.728 121.673 119.950 -0.009 0.000 2.361 103 F HA 0.332 4.967 4.527 0.179 0.000 0.364 103 F C 0.583 176.487 175.800 0.173 0.000 1.120 103 F CA -0.733 57.280 58.000 0.022 0.000 1.102 103 F CB 0.801 39.706 39.000 -0.159 0.000 1.183 103 F HN 0.172 nan 8.300 nan 0.000 0.476 104 N N 2.616 121.491 118.700 0.293 0.000 2.370 104 N HA 0.240 5.087 4.740 0.179 0.000 0.303 104 N C -0.703 174.984 175.510 0.295 0.000 1.103 104 N CA -0.893 52.329 53.050 0.287 0.000 0.848 104 N CB 2.085 40.648 38.487 0.128 0.000 1.235 104 N HN 0.452 nan 8.380 nan 0.000 0.496 105 K N 1.569 122.084 120.400 0.193 0.000 2.379 105 K HA 0.196 4.623 4.320 0.179 0.000 0.284 105 K C 1.071 177.643 176.600 -0.045 0.000 1.044 105 K CA 0.022 56.221 56.287 -0.145 0.000 0.974 105 K CB 0.287 32.628 32.500 -0.265 0.000 0.962 105 K HN 0.641 nan 8.250 nan 0.000 0.474 106 I N 0.445 120.982 120.570 -0.056 0.000 4.312 106 I HA 0.439 4.716 4.170 0.179 0.000 0.324 106 I C 0.140 176.270 176.117 0.023 0.000 1.298 106 I CA -0.508 60.799 61.300 0.012 0.000 1.231 106 I CB 1.000 39.020 38.000 0.033 0.000 1.152 106 I HN 0.419 nan 8.210 nan 0.000 0.421 107 A N 0.915 123.739 122.820 0.006 0.000 2.601 107 A HA 0.772 5.200 4.320 0.179 0.000 0.291 107 A C -1.826 175.788 177.584 0.049 0.000 1.075 107 A CA -0.442 51.594 52.037 -0.002 0.000 0.671 107 A CB 1.001 19.968 19.000 -0.055 0.000 1.277 107 A HN 0.493 nan 8.150 nan 0.000 0.417 108 Y N -1.257 118.962 120.300 -0.135 0.000 2.620 108 Y HA 0.741 5.399 4.550 0.179 0.000 0.331 108 Y C -1.114 174.681 175.900 -0.175 0.000 1.173 108 Y CA -0.895 57.112 58.100 -0.156 0.000 1.076 108 Y CB 1.262 39.642 38.460 -0.135 0.000 1.336 108 Y HN 0.732 nan 8.280 nan 0.000 0.459 109 K N 2.264 122.488 120.400 -0.294 0.000 2.358 109 K HA 0.385 4.812 4.320 0.179 0.000 0.260 109 K C -0.695 175.820 176.600 -0.142 0.000 0.956 109 K CA -0.472 55.617 56.287 -0.331 0.000 0.834 109 K CB 0.741 32.828 32.500 -0.689 0.000 1.102 109 K HN 0.957 nan 8.250 nan 0.000 0.431 110 N N 1.844 120.566 118.700 0.036 0.000 2.143 110 N HA -0.058 4.789 4.740 0.179 0.000 0.222 110 N C -0.436 175.099 175.510 0.043 0.000 1.264 110 N CA -0.355 52.736 53.050 0.069 0.000 0.897 110 N CB -0.292 38.282 38.487 0.146 0.000 1.092 110 N HN 0.592 nan 8.380 nan 0.000 0.516 111 N N 0.280 118.991 118.700 0.018 0.000 2.354 111 N HA 0.042 4.889 4.740 0.179 0.000 0.246 111 N C -0.224 175.299 175.510 0.022 0.000 1.285 111 N CA 0.024 53.085 53.050 0.018 0.000 0.925 111 N CB 0.403 38.892 38.487 0.004 0.000 1.174 111 N HN -0.068 nan 8.380 nan 0.000 0.478 112 D N -1.074 119.342 120.400 0.027 0.000 2.427 112 D HA 0.094 4.842 4.640 0.179 0.000 0.224 112 D C -0.520 175.802 176.300 0.037 0.000 1.157 112 D CA -0.148 53.872 54.000 0.033 0.000 0.828 112 D CB -0.304 40.516 40.800 0.032 0.000 0.974 112 D HN 0.433 nan 8.370 nan 0.000 0.498 113 N N 1.055 119.777 118.700 0.037 0.000 2.518 113 N HA 0.043 4.890 4.740 0.179 0.000 0.266 113 N C 0.453 176.008 175.510 0.074 0.000 1.196 113 N CA -0.206 52.870 53.050 0.043 0.000 0.947 113 N CB 1.477 39.981 38.487 0.029 0.000 1.098 113 N HN -0.056 nan 8.380 nan 0.000 0.450 114 V N -0.445 119.513 119.914 0.074 0.000 2.811 114 V HA 0.281 4.509 4.120 0.179 0.000 0.302 114 V C 0.619 176.789 176.094 0.126 0.000 1.063 114 V CA -0.668 61.696 62.300 0.106 0.000 1.088 114 V CB 0.582 32.455 31.823 0.083 0.000 0.982 114 V HN 0.516 nan 8.190 nan 0.000 0.485 115 S N 3.530 119.345 115.700 0.192 0.000 2.576 115 S HA 0.447 5.025 4.470 0.179 0.000 0.276 115 S C -0.187 174.480 174.600 0.113 0.000 1.339 115 S CA -0.065 58.227 58.200 0.153 0.000 1.039 115 S CB 0.558 63.864 63.200 0.177 0.000 0.902 115 S HN 1.183 nan 8.310 nan 0.000 0.516 116 D N -0.918 119.531 120.400 0.082 0.000 2.752 116 D HA 0.271 5.018 4.640 0.179 0.000 0.313 116 D C 0.662 177.040 176.300 0.129 0.000 1.225 116 D CA -0.573 53.481 54.000 0.091 0.000 0.976 116 D CB -0.068 40.773 40.800 0.068 0.000 1.443 116 D HN 0.322 nan 8.370 nan 0.000 0.515 117 S N -0.880 114.903 115.700 0.139 0.000 2.528 117 S HA -0.182 4.395 4.470 0.179 0.000 0.244 117 S C 0.727 175.501 174.600 0.290 0.000 0.982 117 S CA 1.141 59.459 58.200 0.196 0.000 0.953 117 S CB -1.036 62.237 63.200 0.122 0.000 0.754 117 S HN 0.530 nan 8.310 nan 0.000 0.529 118 N N 1.032 119.840 118.700 0.179 0.000 2.392 118 N HA 0.390 5.237 4.740 0.179 0.000 0.177 118 N C 0.837 176.288 175.510 -0.098 0.000 1.066 118 N CA 0.269 53.394 53.050 0.125 0.000 0.895 118 N CB 0.159 38.666 38.487 0.034 0.000 0.988 118 N HN 0.598 nan 8.380 nan 0.000 0.457 119 G N 0.983 109.580 108.800 -0.338 0.000 2.846 119 G HA2 -0.236 3.831 3.960 0.179 0.000 0.660 119 G HA3 -0.236 3.831 3.960 0.179 0.000 0.660 119 G C -1.174 173.444 174.900 -0.470 0.000 1.464 119 G CA -0.834 43.699 45.100 -0.945 0.000 0.891 119 G HN 0.205 nan 8.290 nan 0.000 0.552 120 N N -0.180 118.287 118.700 -0.387 0.000 2.424 120 N HA 0.526 5.373 4.740 0.179 0.000 0.271 120 N C -0.191 175.113 175.510 -0.342 0.000 0.985 120 N CA -0.425 52.470 53.050 -0.258 0.000 0.921 120 N CB 1.610 40.098 38.487 0.002 0.000 1.149 120 N HN 0.616 nan 8.380 nan 0.000 0.492 121 M N 3.088 122.450 119.600 -0.398 0.000 2.180 121 M HA 0.247 4.834 4.480 0.179 0.000 0.350 121 M C -1.105 174.925 176.300 -0.449 0.000 1.125 121 M CA -0.327 54.786 55.300 -0.312 0.000 1.031 121 M CB 0.411 32.876 32.600 -0.225 0.000 1.623 121 M HN 0.359 nan 8.290 nan 0.000 0.451 122 H N 3.474 122.532 119.070 -0.020 0.000 2.587 122 H HA 0.323 4.986 4.556 0.178 0.000 0.325 122 H C -0.552 174.764 175.328 -0.020 0.000 1.012 122 H CA -0.569 55.470 56.048 -0.015 0.000 1.213 122 H CB 0.758 30.538 29.762 0.030 0.000 1.431 122 H HN 0.580 nan 8.280 nan 0.000 0.492 123 T N 5.147 119.723 114.554 0.037 0.000 2.870 123 T HA 0.167 4.624 4.350 0.179 0.000 0.300 123 T C 0.999 175.725 174.700 0.044 0.000 0.989 123 T CA -0.237 61.873 62.100 0.016 0.000 1.139 123 T CB 0.280 69.138 68.868 -0.018 0.000 0.920 123 T HN 0.325 nan 8.240 nan 0.000 0.537 124 I N 2.272 122.871 120.570 0.048 0.000 2.648 124 I HA 0.293 4.570 4.170 0.179 0.000 0.304 124 I C 0.303 176.443 176.117 0.039 0.000 1.009 124 I CA -0.890 60.441 61.300 0.052 0.000 1.114 124 I CB 1.747 39.789 38.000 0.070 0.000 1.293 124 I HN 0.583 nan 8.210 nan 0.000 0.449 125 D N 4.103 124.524 120.400 0.035 0.000 3.110 125 D HA 0.122 4.869 4.640 0.179 0.000 0.254 125 D C -0.293 176.026 176.300 0.032 0.000 1.283 125 D CA -0.029 53.988 54.000 0.029 0.000 0.944 125 D CB -0.298 40.516 40.800 0.022 0.000 1.066 125 D HN 0.515 nan 8.370 nan 0.000 0.496 126 N N -0.221 118.504 118.700 0.041 0.000 2.696 126 N HA -0.171 4.676 4.740 0.179 0.000 0.256 126 N C -0.831 174.704 175.510 0.042 0.000 1.031 126 N CA 0.199 53.276 53.050 0.045 0.000 0.730 126 N CB -0.563 37.947 38.487 0.038 0.000 0.894 126 N HN 0.112 nan 8.380 nan 0.000 0.544 127 V N 0.867 120.809 119.914 0.046 0.000 2.465 127 V HA 0.233 4.460 4.120 0.179 0.000 0.279 127 V C 1.087 177.206 176.094 0.042 0.000 1.045 127 V CA -0.469 61.853 62.300 0.038 0.000 0.938 127 V CB 1.480 33.325 31.823 0.036 0.000 0.986 127 V HN 0.276 nan 8.190 nan 0.000 0.467 128 R N 3.180 123.695 120.500 0.026 0.000 2.458 128 R HA 0.496 4.944 4.340 0.179 0.000 0.303 128 R C -0.046 176.260 176.300 0.011 0.000 1.013 128 R CA 0.255 56.368 56.100 0.021 0.000 1.026 128 R CB 0.399 30.699 30.300 -0.000 0.000 0.948 128 R HN 0.865 nan 8.270 nan 0.000 0.417 129 A N 1.764 124.606 122.820 0.037 0.000 2.459 129 A HA 0.527 4.954 4.320 0.179 0.000 0.296 129 A C 0.511 178.129 177.584 0.057 0.000 1.039 129 A CA -0.552 51.495 52.037 0.016 0.000 0.698 129 A CB 1.875 20.893 19.000 0.030 0.000 1.261 129 A HN 0.774 nan 8.150 nan 0.000 0.405 130 G N 0.813 109.617 108.800 0.007 0.000 2.709 130 G HA2 0.287 4.355 3.960 0.179 0.000 0.208 130 G HA3 0.287 4.355 3.960 0.179 0.000 0.208 130 G C 0.525 175.449 174.900 0.039 0.000 1.129 130 G CA 0.253 45.380 45.100 0.044 0.000 0.793 130 G HN 0.565 nan 8.290 nan 0.000 0.524 131 K N -0.256 120.142 120.400 -0.004 0.000 2.395 131 K HA 0.707 5.134 4.320 0.179 0.000 0.247 131 K C -1.479 175.193 176.600 0.120 0.000 0.973 131 K CA -0.645 55.690 56.287 0.081 0.000 0.828 131 K CB 2.641 35.259 32.500 0.196 0.000 1.272 131 K HN -0.031 nan 8.250 nan 0.000 0.439 132 I N 1.448 122.133 120.570 0.191 0.000 2.647 132 I HA 0.432 4.710 4.170 0.179 0.000 0.295 132 I C -0.661 175.580 176.117 0.207 0.000 1.078 132 I CA -0.879 60.542 61.300 0.202 0.000 1.048 132 I CB 2.281 40.344 38.000 0.104 0.000 1.239 132 I HN 0.339 nan 8.210 nan 0.000 0.421 133 R N 4.994 125.632 120.500 0.230 0.000 2.562 133 R HA 0.710 5.157 4.340 0.179 0.000 0.298 133 R C -1.489 174.966 176.300 0.258 0.000 0.961 133 R CA -0.870 55.289 56.100 0.098 0.000 0.881 133 R CB 2.260 32.371 30.300 -0.316 0.000 1.159 133 R HN 0.401 nan 8.270 nan 0.000 0.450 134 I N 1.716 122.418 120.570 0.220 0.000 2.411 134 I HA 0.162 4.439 4.170 0.179 0.000 0.284 134 I C -0.733 175.604 176.117 0.367 0.000 1.012 134 I CA -0.442 61.006 61.300 0.246 0.000 1.119 134 I CB 1.649 39.694 38.000 0.075 0.000 1.261 134 I HN 0.373 nan 8.210 nan 0.000 0.448 135 D N 6.142 126.842 120.400 0.499 0.000 2.427 135 D HA 0.353 5.101 4.640 0.179 0.000 0.226 135 D C -0.766 175.814 176.300 0.467 0.000 1.076 135 D CA -0.266 54.059 54.000 0.540 0.000 0.849 135 D CB 1.252 42.362 40.800 0.517 0.000 1.052 135 D HN 0.178 nan 8.370 nan 0.000 0.515 136 V N 5.256 125.462 119.914 0.487 0.000 2.372 136 V HA 0.082 4.309 4.120 0.179 0.000 0.261 136 V C 1.652 177.989 176.094 0.405 0.000 1.055 136 V CA -0.366 62.230 62.300 0.493 0.000 0.930 136 V CB 0.826 32.968 31.823 0.532 0.000 1.031 136 V HN 0.579 nan 8.190 nan 0.000 0.479 137 V N 1.484 121.594 119.914 0.327 0.000 3.174 137 V HA 0.226 4.454 4.120 0.179 0.000 0.254 137 V C 0.550 176.784 176.094 0.234 0.000 1.120 137 V CA 0.679 63.117 62.300 0.231 0.000 1.114 137 V CB 0.005 31.907 31.823 0.132 0.000 0.756 137 V HN 0.805 nan 8.190 nan 0.000 0.467 138 Q N 1.151 121.094 119.800 0.238 0.000 2.331 138 Q HA 0.400 4.847 4.340 0.179 0.000 0.272 138 Q C -1.896 174.174 176.000 0.118 0.000 1.062 138 Q CA -0.624 55.288 55.803 0.183 0.000 0.806 138 Q CB 2.181 30.995 28.738 0.127 0.000 1.312 138 Q HN 0.462 nan 8.270 nan 0.000 0.431 139 N N 1.209 119.917 118.700 0.013 0.000 2.531 139 N HA 0.103 4.950 4.740 0.179 0.000 0.268 139 N C 0.172 175.563 175.510 -0.199 0.000 1.023 139 N CA -0.015 52.865 53.050 -0.284 0.000 0.896 139 N CB 1.725 40.096 38.487 -0.192 0.000 1.233 139 N HN 0.659 nan 8.380 nan 0.000 0.512 140 S N 2.522 118.076 115.700 -0.243 0.000 2.500 140 S HA -0.136 4.441 4.470 0.179 0.000 0.239 140 S C 1.206 175.754 174.600 -0.086 0.000 0.989 140 S CA 1.081 59.215 58.200 -0.109 0.000 0.951 140 S CB -0.079 63.069 63.200 -0.088 0.000 0.759 140 S HN 0.633 nan 8.310 nan 0.000 0.523 141 N N 0.408 119.031 118.700 -0.128 0.000 2.414 141 N HA 0.213 5.060 4.740 0.179 0.000 0.177 141 N C 0.069 175.556 175.510 -0.038 0.000 1.062 141 N CA 0.430 53.437 53.050 -0.072 0.000 0.890 141 N CB 0.948 39.390 38.487 -0.074 0.000 1.070 141 N HN 0.359 nan 8.380 nan 0.000 0.454 142 S N -1.649 114.030 115.700 -0.035 0.000 2.607 142 S HA 0.316 4.893 4.470 0.179 0.000 0.273 142 S C -0.607 174.015 174.600 0.038 0.000 1.148 142 S CA -0.659 57.541 58.200 0.000 0.000 0.833 142 S CB 0.820 64.019 63.200 -0.002 0.000 1.130 142 S HN 0.062 nan 8.310 nan 0.000 0.470 143 D N 1.174 121.603 120.400 0.047 0.000 2.183 143 D HA 0.053 4.801 4.640 0.179 0.000 0.203 143 D C 0.464 176.821 176.300 0.095 0.000 0.969 143 D CA 0.952 55.003 54.000 0.086 0.000 0.842 143 D CB -0.040 40.780 40.800 0.033 0.000 0.957 143 D HN 0.417 nan 8.370 nan 0.000 0.484 144 R N 0.465 120.995 120.500 0.050 0.000 2.594 144 R HA 0.338 4.785 4.340 0.179 0.000 0.272 144 R C 0.236 176.569 176.300 0.056 0.000 1.074 144 R CA -0.367 55.750 56.100 0.029 0.000 1.105 144 R CB 1.198 31.486 30.300 -0.020 0.000 1.008 144 R HN -0.102 nan 8.270 nan 0.000 0.472 145 V N -0.657 119.281 119.914 0.039 0.000 2.994 145 V HA 0.627 4.854 4.120 0.179 0.000 0.318 145 V C -0.512 175.527 176.094 -0.092 0.000 1.085 145 V CA -1.027 61.352 62.300 0.132 0.000 0.998 145 V CB 1.975 33.976 31.823 0.296 0.000 1.063 145 V HN 1.032 nan 8.190 nan 0.000 0.447 146 N N 1.043 119.797 118.700 0.091 0.000 2.396 146 N HA 0.588 5.435 4.740 0.179 0.000 0.275 146 N C -1.778 173.832 175.510 0.168 0.000 1.218 146 N CA -0.734 52.314 53.050 -0.004 0.000 0.812 146 N CB 2.892 41.300 38.487 -0.132 0.000 1.592 146 N HN 0.714 nan 8.380 nan 0.000 0.480 147 I N 1.035 121.824 120.570 0.366 0.000 2.468 147 I HA 0.344 4.622 4.170 0.179 0.000 0.285 147 I C 0.992 177.270 176.117 0.269 0.000 1.039 147 I CA -0.581 60.871 61.300 0.255 0.000 1.074 147 I CB 1.915 40.079 38.000 0.274 0.000 1.228 147 I HN 0.851 nan 8.210 nan 0.000 0.436 148 A N 4.678 127.609 122.820 0.184 0.000 1.874 148 A HA 0.175 4.602 4.320 0.179 0.000 0.214 148 A C 0.774 178.457 177.584 0.166 0.000 1.189 148 A CA 1.320 53.485 52.037 0.213 0.000 0.615 148 A CB 0.150 19.243 19.000 0.156 0.000 0.830 148 A HN 0.630 nan 8.150 nan 0.000 0.443 149 E N -1.655 118.655 120.200 0.184 0.000 2.366 149 E HA 0.542 4.999 4.350 0.179 0.000 0.278 149 E C -1.754 174.977 176.600 0.219 0.000 0.923 149 E CA -0.356 56.140 56.400 0.159 0.000 0.761 149 E CB 1.949 31.687 29.700 0.063 0.000 1.231 149 E HN 0.301 nan 8.360 nan 0.000 0.443 150 I N 2.088 122.738 120.570 0.134 0.000 2.512 150 I HA 0.357 4.634 4.170 0.179 0.000 0.287 150 I C -1.316 174.836 176.117 0.058 0.000 1.069 150 I CA -0.461 60.904 61.300 0.109 0.000 1.056 150 I CB 0.996 39.019 38.000 0.037 0.000 1.229 150 I HN 0.391 nan 8.210 nan 0.000 0.429 151 N N 5.923 124.677 118.700 0.090 0.000 2.430 151 N HA 0.589 5.436 4.740 0.179 0.000 0.292 151 N C -1.291 174.136 175.510 -0.138 0.000 1.051 151 N CA -0.687 52.307 53.050 -0.092 0.000 0.917 151 N CB 2.511 40.936 38.487 -0.104 0.000 1.164 151 N HN 0.187 nan 8.380 nan 0.000 0.484 152 V N 2.271 121.976 119.914 -0.348 0.000 2.555 152 V HA 0.506 4.733 4.120 0.179 0.000 0.302 152 V C -0.946 174.877 176.094 -0.452 0.000 1.038 152 V CA -0.693 61.475 62.300 -0.220 0.000 0.887 152 V CB 0.770 32.497 31.823 -0.161 0.000 0.991 152 V HN 0.535 nan 8.190 nan 0.000 0.434 153 F N 2.079 122.012 119.950 -0.029 0.000 2.493 153 F HA 0.869 5.503 4.527 0.178 0.000 0.329 153 F C 0.621 176.422 175.800 0.002 0.000 1.126 153 F CA -0.434 57.556 58.000 -0.016 0.000 0.937 153 F CB 2.454 41.460 39.000 0.009 0.000 1.146 153 F HN 0.703 nan 8.300 nan 0.000 0.442 154 G N 2.088 110.986 108.800 0.163 0.000 2.673 154 G HA2 0.526 4.593 3.960 0.179 0.000 0.292 154 G HA3 0.526 4.593 3.960 0.179 0.000 0.292 154 G C -2.224 172.819 174.900 0.237 0.000 1.450 154 G CA -0.851 44.351 45.100 0.170 0.000 0.837 154 G HN 0.198 nan 8.290 nan 0.000 0.505 155 K N 1.116 121.656 120.400 0.232 0.000 2.235 155 K HA 0.392 4.819 4.320 0.179 0.000 0.266 155 K C -0.153 176.534 176.600 0.144 0.000 0.980 155 K CA -1.088 55.310 56.287 0.184 0.000 0.849 155 K CB 1.356 33.914 32.500 0.097 0.000 1.098 155 K HN 0.527 nan 8.250 nan 0.000 0.445 156 N N 1.202 119.925 118.700 0.040 0.000 2.497 156 N HA -0.035 4.812 4.740 0.179 0.000 0.268 156 N C 0.532 175.905 175.510 -0.228 0.000 1.171 156 N CA 0.424 53.256 53.050 -0.364 0.000 0.948 156 N CB 0.917 39.205 38.487 -0.332 0.000 1.069 156 N HN 0.609 nan 8.380 nan 0.000 0.460 157 T N -0.034 114.356 114.554 -0.273 0.000 3.081 157 T HA 0.179 4.636 4.350 0.179 0.000 0.250 157 T C 1.190 175.805 174.700 -0.142 0.000 1.100 157 T CA 0.420 62.430 62.100 -0.150 0.000 1.038 157 T CB -0.226 68.575 68.868 -0.113 0.000 0.962 157 T HN 0.618 nan 8.240 nan 0.000 0.516 158 G N 1.163 109.845 108.800 -0.196 0.000 2.168 158 G HA2 -0.235 3.832 3.960 0.179 0.000 0.257 158 G HA3 -0.235 3.832 3.960 0.179 0.000 0.257 158 G C -0.262 174.571 174.900 -0.112 0.000 0.997 158 G CA 0.371 45.386 45.100 -0.141 0.000 0.708 158 G HN 0.674 nan 8.290 nan 0.000 0.520 159 E N -0.387 119.737 120.200 -0.127 0.000 2.249 159 E HA 0.686 5.144 4.350 0.179 0.000 0.263 159 E C -0.358 176.194 176.600 -0.081 0.000 0.950 159 E CA -0.587 55.762 56.400 -0.086 0.000 0.827 159 E CB 1.635 31.292 29.700 -0.071 0.000 1.220 159 E HN 0.145 nan 8.360 nan 0.000 0.411 160 S N 0.889 116.559 115.700 -0.050 0.000 2.607 160 S HA 0.351 4.929 4.470 0.179 0.000 0.303 160 S C -0.692 173.893 174.600 -0.024 0.000 1.086 160 S CA -0.801 57.380 58.200 -0.032 0.000 0.995 160 S CB 0.925 64.112 63.200 -0.022 0.000 1.084 160 S HN 0.242 nan 8.310 nan 0.000 0.507 161 L N 3.033 124.247 121.223 -0.014 0.000 2.485 161 L HA 0.272 4.719 4.340 0.179 0.000 0.275 161 L C -1.966 174.896 176.870 -0.013 0.000 1.207 161 L CA -1.176 53.654 54.840 -0.017 0.000 0.855 161 L CB -0.957 41.097 42.059 -0.008 0.000 1.114 161 L HN 0.422 nan 8.230 nan 0.000 0.485 162 P HA 0.096 nan 4.420 nan 0.000 0.270 162 P C -0.671 176.629 177.300 -0.001 0.000 1.223 162 P CA -0.493 62.601 63.100 -0.009 0.000 0.785 162 P CB 0.380 32.074 31.700 -0.010 0.000 0.923 163 E N 0.527 120.728 120.200 0.002 0.000 2.324 163 E HA 0.102 4.559 4.350 0.179 0.000 0.271 163 E C -0.338 176.270 176.600 0.013 0.000 1.028 163 E CA -0.137 56.267 56.400 0.008 0.000 0.890 163 E CB 0.383 30.086 29.700 0.005 0.000 1.004 163 E HN 0.116 nan 8.360 nan 0.000 0.431 164 V N 4.016 123.943 119.914 0.021 0.000 2.555 164 V HA 0.007 4.234 4.120 0.179 0.000 0.286 164 V C 0.677 176.788 176.094 0.029 0.000 1.044 164 V CA -0.361 61.958 62.300 0.031 0.000 1.026 164 V CB 0.792 32.644 31.823 0.048 0.000 0.981 164 V HN 0.417 nan 8.190 nan 0.000 0.480 165 K N 4.583 125.001 120.400 0.031 0.000 2.270 165 K HA 0.213 4.641 4.320 0.179 0.000 0.276 165 K C 0.060 176.680 176.600 0.032 0.000 1.023 165 K CA 0.089 56.392 56.287 0.028 0.000 0.955 165 K CB 0.401 32.918 32.500 0.028 0.000 0.975 165 K HN 0.622 nan 8.250 nan 0.000 0.471 166 K N 3.200 123.612 120.400 0.021 0.000 2.202 166 K HA 0.188 4.615 4.320 0.179 0.000 0.264 166 K C -0.066 176.543 176.600 0.014 0.000 1.010 166 K CA -0.466 55.830 56.287 0.014 0.000 0.940 166 K CB 0.454 32.954 32.500 0.001 0.000 0.983 166 K HN 0.578 nan 8.250 nan 0.000 0.475 167 I N 2.467 123.037 120.570 -0.001 0.000 2.742 167 I HA -0.093 4.184 4.170 0.179 0.000 0.287 167 I C 0.169 176.273 176.117 -0.020 0.000 1.186 167 I CA 0.387 61.681 61.300 -0.009 0.000 1.417 167 I CB 0.444 38.378 38.000 -0.110 0.000 1.377 167 I HN 0.488 nan 8.210 nan 0.000 0.556 168 A N 5.391 128.217 122.820 0.010 0.000 2.357 168 A HA 0.704 5.131 4.320 0.179 0.000 0.295 168 A C -0.092 177.505 177.584 0.021 0.000 1.121 168 A CA -0.536 51.505 52.037 0.005 0.000 0.742 168 A CB 1.108 20.114 19.000 0.009 0.000 1.181 168 A HN 0.695 nan 8.150 nan 0.000 0.454 169 T N -0.394 114.166 114.554 0.009 0.000 2.950 169 T HA 0.759 5.216 4.350 0.179 0.000 0.288 169 T C 0.312 175.016 174.700 0.006 0.000 1.035 169 T CA -0.219 61.892 62.100 0.018 0.000 1.028 169 T CB 1.294 70.172 68.868 0.018 0.000 1.109 169 T HN 1.059 nan 8.240 nan 0.000 0.514 170 S N 1.478 117.186 115.700 0.014 0.000 2.584 170 S HA 0.424 5.001 4.470 0.179 0.000 0.273 170 S C -0.231 174.375 174.600 0.010 0.000 1.311 170 S CA -0.989 57.221 58.200 0.015 0.000 1.034 170 S CB -0.054 63.167 63.200 0.036 0.000 0.939 170 S HN 0.672 nan 8.310 nan 0.000 0.513 171 N N 0.878 119.586 118.700 0.013 0.000 2.514 171 N HA 0.310 5.157 4.740 0.179 0.000 0.277 171 N C 0.383 175.941 175.510 0.080 0.000 1.126 171 N CA -0.790 52.278 53.050 0.031 0.000 0.978 171 N CB 0.190 38.688 38.487 0.019 0.000 1.106 171 N HN 0.652 nan 8.380 nan 0.000 0.461 172 F N 2.287 122.213 119.950 -0.041 0.000 2.065 172 F HA -0.286 4.349 4.527 0.179 0.000 0.298 172 F C 2.349 178.174 175.800 0.041 0.000 1.112 172 F CA 2.135 60.137 58.000 0.004 0.000 1.212 172 F CB -0.510 38.475 39.000 -0.024 0.000 0.975 172 F HN 0.590 nan 8.300 nan 0.000 0.476 173 S N -0.692 115.032 115.700 0.040 0.000 2.440 173 S HA -0.227 4.350 4.470 0.179 0.000 0.238 173 S C 1.567 176.111 174.600 -0.093 0.000 1.010 173 S CA 1.536 59.709 58.200 -0.045 0.000 0.972 173 S CB -0.793 62.434 63.200 0.045 0.000 0.774 173 S HN 0.684 nan 8.310 nan 0.000 0.501 174 E N 1.492 121.649 120.200 -0.072 0.000 2.489 174 E HA 0.079 4.536 4.350 0.179 0.000 0.193 174 E C 0.507 177.054 176.600 -0.089 0.000 1.057 174 E CA 0.535 56.898 56.400 -0.063 0.000 0.866 174 E CB 0.351 30.033 29.700 -0.031 0.000 0.916 174 E HN 0.791 nan 8.360 nan 0.000 0.500 175 T N -2.140 112.330 114.554 -0.140 0.000 2.945 175 T HA 0.223 4.680 4.350 0.179 0.000 0.286 175 T C -1.942 172.638 174.700 -0.200 0.000 1.025 175 T CA -2.175 59.850 62.100 -0.126 0.000 1.039 175 T CB 1.681 70.549 68.868 -0.001 0.000 1.068 175 T HN -0.275 nan 8.240 nan 0.000 0.497 176 P HA -0.062 nan 4.420 nan 0.000 0.223 176 P C 0.642 177.747 177.300 -0.325 0.000 1.144 176 P CA 0.960 63.867 63.100 -0.321 0.000 0.783 176 P CB -0.101 31.332 31.700 -0.445 0.000 0.771 177 W N 0.663 121.856 121.300 -0.179 0.000 2.418 177 W HA 0.063 4.830 4.660 0.179 0.000 0.292 177 W C 2.750 179.131 176.519 -0.230 0.000 1.213 177 W CA 0.688 57.958 57.345 -0.125 0.000 1.283 177 W CB -0.913 28.526 29.460 -0.034 0.000 1.119 177 W HN -0.074 nan 8.180 nan 0.000 0.542 178 A N 0.312 122.842 122.820 -0.483 0.000 1.877 178 A HA -0.184 4.243 4.320 0.179 0.000 0.216 178 A C 1.866 179.429 177.584 -0.035 0.000 1.186 178 A CA 2.400 54.122 52.037 -0.526 0.000 0.620 178 A CB -1.362 17.223 19.000 -0.693 0.000 0.822 178 A HN 0.219 nan 8.150 nan 0.000 0.443 179 T N -0.145 114.365 114.554 -0.072 0.000 2.635 179 T HA -0.213 4.245 4.350 0.179 0.000 0.267 179 T C 1.881 176.608 174.700 0.045 0.000 1.040 179 T CA 1.857 63.943 62.100 -0.023 0.000 1.156 179 T CB -0.365 68.458 68.868 -0.076 0.000 0.863 179 T HN 0.595 nan 8.240 nan 0.000 0.430 180 E N 0.284 120.527 120.200 0.072 0.000 2.085 180 E HA -0.150 4.307 4.350 0.179 0.000 0.194 180 E C 1.874 178.637 176.600 0.272 0.000 0.994 180 E CA 1.311 57.807 56.400 0.160 0.000 0.801 180 E CB -0.575 29.227 29.700 0.171 0.000 0.743 180 E HN 0.668 nan 8.360 nan 0.000 0.453 181 Y N 0.456 120.899 120.300 0.238 0.000 2.181 181 Y HA -0.132 4.525 4.550 0.178 0.000 0.288 181 Y C 2.207 178.269 175.900 0.270 0.000 1.146 181 Y CA 1.868 60.139 58.100 0.285 0.000 1.164 181 Y CB 0.239 38.947 38.460 0.413 0.000 0.982 181 Y HN 0.068 nan 8.280 nan 0.000 0.515 182 E N 0.172 120.602 120.200 0.384 0.000 2.299 182 E HA -0.136 4.321 4.350 0.179 0.000 0.193 182 E C 1.955 178.661 176.600 0.176 0.000 0.998 182 E CA 0.474 57.041 56.400 0.279 0.000 0.851 182 E CB 0.027 29.853 29.700 0.210 0.000 0.795 182 E HN 0.444 nan 8.360 nan 0.000 0.492 183 K N -0.230 120.247 120.400 0.128 0.000 2.001 183 K HA -0.126 4.301 4.320 0.179 0.000 0.208 183 K C 2.137 178.824 176.600 0.145 0.000 1.048 183 K CA 1.041 57.333 56.287 0.009 0.000 0.932 183 K CB -0.308 32.074 32.500 -0.197 0.000 0.715 183 K HN 0.042 nan 8.250 nan 0.000 0.437 184 F N 1.886 121.928 119.950 0.154 0.000 2.126 184 F HA -0.283 4.352 4.527 0.179 0.000 0.299 184 F C 1.959 177.805 175.800 0.078 0.000 1.096 184 F CA 1.888 60.001 58.000 0.189 0.000 1.255 184 F CB -0.262 38.769 39.000 0.052 0.000 0.997 184 F HN 0.161 nan 8.300 nan 0.000 0.479 185 N N -0.094 118.826 118.700 0.366 0.000 2.120 185 N HA -0.190 4.657 4.740 0.179 0.000 0.188 185 N C 1.867 177.463 175.510 0.143 0.000 1.024 185 N CA 1.846 55.062 53.050 0.277 0.000 0.852 185 N CB -0.243 38.408 38.487 0.274 0.000 1.003 185 N HN 0.393 nan 8.380 nan 0.000 0.424 186 S N -2.340 113.425 115.700 0.108 0.000 2.517 186 S HA 0.103 4.680 4.470 0.179 0.000 0.214 186 S C 0.035 174.650 174.600 0.025 0.000 0.991 186 S CA -0.202 58.036 58.200 0.063 0.000 0.906 186 S CB 0.372 63.608 63.200 0.060 0.000 0.789 186 S HN 0.108 nan 8.310 nan 0.000 0.513 187 D N 1.093 121.499 120.400 0.011 0.000 2.454 187 D HA 0.482 5.230 4.640 0.179 0.000 0.247 187 D C 0.440 176.715 176.300 -0.041 0.000 1.129 187 D CA -0.190 53.811 54.000 0.002 0.000 0.877 187 D CB 1.727 42.539 40.800 0.021 0.000 1.082 187 D HN 0.031 nan 8.370 nan 0.000 0.537 188 S N 1.902 117.571 115.700 -0.053 0.000 2.359 188 S HA -0.208 4.369 4.470 0.179 0.000 0.223 188 S C 1.972 176.510 174.600 -0.103 0.000 1.039 188 S CA 1.593 59.737 58.200 -0.093 0.000 1.042 188 S CB 0.041 63.212 63.200 -0.049 0.000 0.915 188 S HN 0.679 nan 8.310 nan 0.000 0.439 189 A N -0.002 122.794 122.820 -0.041 0.000 1.908 189 A HA -0.146 4.281 4.320 0.179 0.000 0.218 189 A C 1.990 179.554 177.584 -0.034 0.000 1.181 189 A CA 1.791 53.811 52.037 -0.027 0.000 0.627 189 A CB -0.926 18.078 19.000 0.007 0.000 0.818 189 A HN 0.646 nan 8.150 nan 0.000 0.445 190 Y N 0.388 120.617 120.300 -0.118 0.000 2.242 190 Y HA 0.021 4.678 4.550 0.179 0.000 0.291 190 Y C 2.599 178.379 175.900 -0.199 0.000 1.137 190 Y CA 1.051 59.083 58.100 -0.113 0.000 1.181 190 Y CB -0.412 38.001 38.460 -0.079 0.000 0.989 190 Y HN 0.306 nan 8.280 nan 0.000 0.527 191 A N 0.501 123.091 122.820 -0.384 0.000 1.877 191 A HA -0.228 4.199 4.320 0.179 0.000 0.216 191 A C 1.996 179.238 177.584 -0.569 0.000 1.186 191 A CA 1.994 53.435 52.037 -0.993 0.000 0.620 191 A CB -1.048 17.046 19.000 -1.510 0.000 0.822 191 A HN 0.704 nan 8.150 nan 0.000 0.443 192 N N -0.723 117.777 118.700 -0.333 0.000 2.104 192 N HA -0.193 4.654 4.740 0.179 0.000 0.190 192 N C 1.933 177.362 175.510 -0.135 0.000 1.024 192 N CA 1.285 54.236 53.050 -0.165 0.000 0.853 192 N CB -0.168 38.259 38.487 -0.100 0.000 1.008 192 N HN 0.678 nan 8.380 nan 0.000 0.424 193 E N 1.349 121.441 120.200 -0.180 0.000 2.051 193 E HA -0.243 4.214 4.350 0.179 0.000 0.192 193 E C 1.891 178.377 176.600 -0.190 0.000 0.991 193 E CA 1.083 57.386 56.400 -0.163 0.000 0.799 193 E CB 0.122 29.715 29.700 -0.177 0.000 0.748 193 E HN 0.089 nan 8.360 nan 0.000 0.449 194 K N 0.170 120.385 120.400 -0.307 0.000 2.009 194 K HA -0.136 4.291 4.320 0.179 0.000 0.210 194 K C 2.037 178.604 176.600 -0.055 0.000 1.049 194 K CA 2.379 58.543 56.287 -0.206 0.000 0.929 194 K CB -0.693 31.705 32.500 -0.170 0.000 0.714 194 K HN 0.036 nan 8.250 nan 0.000 0.440 195 T N 1.250 115.813 114.554 0.016 0.000 2.684 195 T HA -0.121 4.336 4.350 0.179 0.000 0.267 195 T C 1.735 176.421 174.700 -0.023 0.000 1.036 195 T CA 1.745 63.875 62.100 0.050 0.000 1.148 195 T CB -0.237 68.692 68.868 0.101 0.000 0.863 195 T HN 0.141 nan 8.240 nan 0.000 0.436 196 L N 0.869 122.070 121.223 -0.036 0.000 2.109 196 L HA -0.041 4.406 4.340 0.179 0.000 0.207 196 L C 2.446 179.284 176.870 -0.053 0.000 1.086 196 L CA 0.860 55.678 54.840 -0.037 0.000 0.760 196 L CB -0.548 41.528 42.059 0.029 0.000 0.910 196 L HN 0.163 nan 8.230 nan 0.000 0.437 197 N N -0.481 118.192 118.700 -0.046 0.000 2.331 197 N HA -0.139 4.708 4.740 0.179 0.000 0.180 197 N C 1.816 177.292 175.510 -0.056 0.000 1.019 197 N CA 0.747 53.774 53.050 -0.037 0.000 0.881 197 N CB -0.074 38.389 38.487 -0.040 0.000 0.972 197 N HN 0.238 nan 8.380 nan 0.000 0.435 198 E N 0.708 120.866 120.200 -0.070 0.000 2.072 198 E HA -0.017 4.440 4.350 0.179 0.000 0.190 198 E C 1.934 178.495 176.600 -0.065 0.000 0.982 198 E CA 0.376 56.736 56.400 -0.066 0.000 0.803 198 E CB -0.097 29.535 29.700 -0.114 0.000 0.755 198 E HN 0.244 nan 8.360 nan 0.000 0.453 199 I N 1.073 121.550 120.570 -0.155 0.000 2.286 199 I HA -0.238 4.039 4.170 0.179 0.000 0.248 199 I C 2.255 178.057 176.117 -0.525 0.000 1.115 199 I CA 1.043 62.097 61.300 -0.411 0.000 1.392 199 I CB -0.777 36.765 38.000 -0.764 0.000 1.065 199 I HN 0.022 nan 8.210 nan 0.000 0.418 200 K N 1.595 121.809 120.400 -0.310 0.000 2.026 200 K HA -0.132 4.295 4.320 0.179 0.000 0.208 200 K C 1.756 178.295 176.600 -0.102 0.000 1.048 200 K CA 1.602 57.827 56.287 -0.103 0.000 0.929 200 K CB -0.386 32.139 32.500 0.041 0.000 0.713 200 K HN 0.380 nan 8.250 nan 0.000 0.439 201 N N 0.040 118.695 118.700 -0.075 0.000 2.149 201 N HA -0.175 4.673 4.740 0.179 0.000 0.188 201 N C 1.697 177.169 175.510 -0.062 0.000 1.019 201 N CA 1.034 54.061 53.050 -0.038 0.000 0.857 201 N CB -0.126 38.360 38.487 -0.001 0.000 0.997 201 N HN 0.128 nan 8.380 nan 0.000 0.426 202 L N 0.898 122.051 121.223 -0.116 0.000 2.056 202 L HA -0.141 4.306 4.340 0.179 0.000 0.207 202 L C 1.945 178.646 176.870 -0.281 0.000 1.078 202 L CA 0.981 55.734 54.840 -0.146 0.000 0.749 202 L CB -0.178 41.785 42.059 -0.161 0.000 0.901 202 L HN -0.024 nan 8.230 nan 0.000 0.433 203 V N 0.507 120.133 119.914 -0.480 0.000 2.255 203 V HA -0.270 3.958 4.120 0.179 0.000 0.247 203 V C 2.702 178.721 176.094 -0.125 0.000 1.051 203 V CA 2.036 63.998 62.300 -0.563 0.000 1.018 203 V CB -1.674 29.782 31.823 -0.613 0.000 0.641 203 V HN 0.670 nan 8.190 nan 0.000 0.445 204 G N -0.582 108.188 108.800 -0.049 0.000 2.440 204 G HA2 -0.245 3.822 3.960 0.179 0.000 0.218 204 G HA3 -0.245 3.822 3.960 0.179 0.000 0.218 204 G C 1.766 176.685 174.900 0.032 0.000 1.154 204 G CA 0.740 45.864 45.100 0.040 0.000 0.767 204 G HN 0.431 nan 8.290 nan 0.000 0.552 205 R N -0.445 120.049 120.500 -0.009 0.000 2.075 205 R HA 0.010 4.458 4.340 0.179 0.000 0.232 205 R C 2.656 178.931 176.300 -0.041 0.000 1.126 205 R CA 1.150 57.247 56.100 -0.005 0.000 0.963 205 R CB -0.352 29.948 30.300 -0.000 0.000 0.858 205 R HN 0.337 nan 8.270 nan 0.000 0.435 206 V N 1.310 121.153 119.914 -0.119 0.000 2.273 206 V HA -0.146 4.082 4.120 0.179 0.000 0.242 206 V C 2.113 178.122 176.094 -0.141 0.000 1.035 206 V CA 1.873 63.989 62.300 -0.307 0.000 1.013 206 V CB -0.210 31.339 31.823 -0.457 0.000 0.652 206 V HN 0.369 nan 8.190 nan 0.000 0.452 207 I N -2.415 118.165 120.570 0.017 0.000 4.035 207 I HA 0.681 4.958 4.170 0.179 0.000 0.321 207 I C 0.814 177.091 176.117 0.266 0.000 1.289 207 I CA 0.558 61.897 61.300 0.065 0.000 1.236 207 I CB 0.587 38.564 38.000 -0.040 0.000 1.076 207 I HN 0.321 nan 8.210 nan 0.000 0.418 208 G N 1.670 110.637 108.800 0.278 0.000 2.535 208 G HA2 -0.056 4.011 3.960 0.179 0.000 0.662 208 G HA3 -0.056 4.011 3.960 0.179 0.000 0.662 208 G C -0.208 174.841 174.900 0.249 0.000 1.417 208 G CA -0.680 44.593 45.100 0.289 0.000 0.866 208 G HN 0.116 nan 8.290 nan 0.000 0.647 209 R N 1.080 121.648 120.500 0.113 0.000 2.117 209 R HA -0.080 4.367 4.340 0.179 0.000 0.243 209 R C 2.494 178.807 176.300 0.021 0.000 1.143 209 R CA 2.091 58.229 56.100 0.064 0.000 0.968 209 R CB -0.253 30.064 30.300 0.029 0.000 0.863 209 R HN 0.806 nan 8.270 nan 0.000 0.444 210 E N 0.364 120.505 120.200 -0.099 0.000 2.401 210 E HA -0.168 4.289 4.350 0.179 0.000 0.199 210 E C 0.700 177.086 176.600 -0.357 0.000 1.023 210 E CA 1.021 57.252 56.400 -0.283 0.000 0.859 210 E CB -0.183 29.247 29.700 -0.450 0.000 0.780 210 E HN 0.409 nan 8.360 nan 0.000 0.523 211 F N 1.014 121.041 119.950 0.129 0.000 2.721 211 F HA 0.315 4.949 4.527 0.179 0.000 0.301 211 F C 2.136 178.118 175.800 0.303 0.000 1.096 211 F CA -0.280 57.851 58.000 0.219 0.000 1.308 211 F CB 0.260 39.444 39.000 0.306 0.000 1.086 211 F HN -0.150 nan 8.300 nan 0.000 0.587 212 K N 0.518 121.110 120.400 0.320 0.000 2.020 212 K HA -0.184 4.244 4.320 0.179 0.000 0.212 212 K C 0.916 177.685 176.600 0.281 0.000 1.050 212 K CA 1.830 58.277 56.287 0.267 0.000 0.929 212 K CB -0.203 32.380 32.500 0.139 0.000 0.714 212 K HN 0.091 nan 8.250 nan 0.000 0.443 213 D N 0.241 120.739 120.400 0.163 0.000 2.338 213 D HA -0.042 4.705 4.640 0.179 0.000 0.239 213 D C 0.886 177.209 176.300 0.038 0.000 1.095 213 D CA 0.629 54.681 54.000 0.087 0.000 0.888 213 D CB 0.293 41.113 40.800 0.033 0.000 0.899 213 D HN -0.030 nan 8.370 nan 0.000 0.525 214 K N -0.585 119.858 120.400 0.073 0.000 2.404 214 K HA 0.183 4.610 4.320 0.179 0.000 0.194 214 K C -0.373 175.885 176.600 -0.570 0.000 1.023 214 K CA 0.056 56.215 56.287 -0.213 0.000 1.094 214 K CB 0.215 32.583 32.500 -0.219 0.000 0.841 214 K HN -0.020 nan 8.250 nan 0.000 0.523 215 F N -0.291 119.567 119.950 -0.153 0.000 2.551 215 F HA 0.489 5.123 4.527 0.179 0.000 0.316 215 F C -0.219 175.304 175.800 -0.461 0.000 1.089 215 F CA -1.153 56.607 58.000 -0.399 0.000 0.915 215 F CB 1.510 40.170 39.000 -0.567 0.000 1.186 215 F HN -0.348 nan 8.300 nan 0.000 0.456 216 I N 3.006 123.355 120.570 -0.368 0.000 2.406 216 I HA 0.388 4.665 4.170 0.179 0.000 0.290 216 I C -1.183 174.695 176.117 -0.400 0.000 0.999 216 I CA -0.508 60.627 61.300 -0.276 0.000 1.124 216 I CB 1.262 39.176 38.000 -0.143 0.000 1.289 216 I HN 0.335 nan 8.210 nan 0.000 0.441 217 F N 4.454 124.429 119.950 0.041 0.000 2.469 217 F HA 0.557 5.191 4.527 0.179 0.000 0.332 217 F C 0.269 176.081 175.800 0.020 0.000 1.103 217 F CA -0.626 57.391 58.000 0.029 0.000 0.979 217 F CB 1.475 40.480 39.000 0.007 0.000 1.137 217 F HN 0.313 nan 8.300 nan 0.000 0.463 218 E N 3.469 123.798 120.200 0.214 0.000 2.292 218 E HA 0.376 4.834 4.350 0.179 0.000 0.272 218 E C -0.954 175.715 176.600 0.115 0.000 0.881 218 E CA -0.645 55.827 56.400 0.121 0.000 0.754 218 E CB 2.895 32.638 29.700 0.072 0.000 1.201 218 E HN 0.286 nan 8.360 nan 0.000 0.425 219 I N 2.844 123.462 120.570 0.080 0.000 2.441 219 I HA 0.218 4.495 4.170 0.179 0.000 0.287 219 I C 0.774 176.926 176.117 0.058 0.000 1.049 219 I CA -0.171 61.170 61.300 0.069 0.000 1.381 219 I CB 0.148 38.175 38.000 0.045 0.000 1.409 219 I HN 0.512 nan 8.210 nan 0.000 0.523 220 R N 4.729 125.267 120.500 0.063 0.000 3.018 220 R HA 0.633 5.081 4.340 0.179 0.000 0.243 220 R C -0.827 175.501 176.300 0.046 0.000 1.315 220 R CA -0.882 55.247 56.100 0.049 0.000 1.039 220 R CB 0.270 30.599 30.300 0.047 0.000 1.315 220 R HN 0.495 nan 8.270 nan 0.000 0.492 221 D N -0.137 120.284 120.400 0.035 0.000 2.423 221 D HA 0.094 4.841 4.640 0.179 0.000 0.255 221 D C -0.498 175.823 176.300 0.035 0.000 1.174 221 D CA -0.527 53.492 54.000 0.032 0.000 1.008 221 D CB 0.348 41.161 40.800 0.021 0.000 1.101 221 D HN 0.532 nan 8.370 nan 0.000 0.516 222 Q N -0.782 119.036 119.800 0.030 0.000 2.454 222 Q HA 0.168 4.616 4.340 0.179 0.000 0.247 222 Q C -0.367 175.639 176.000 0.010 0.000 1.028 222 Q CA -0.375 55.442 55.803 0.024 0.000 0.910 222 Q CB 0.945 29.692 28.738 0.015 0.000 1.276 222 Q HN 0.381 nan 8.270 nan 0.000 0.489 223 L N 3.267 124.491 121.223 0.001 0.000 2.287 223 L HA 0.175 4.622 4.340 0.179 0.000 0.280 223 L C -0.704 176.150 176.870 -0.026 0.000 1.055 223 L CA 0.245 55.077 54.840 -0.014 0.000 0.863 223 L CB -0.577 41.468 42.059 -0.022 0.000 1.245 223 L HN 0.828 nan 8.230 nan 0.000 0.432 224 N N 3.729 122.415 118.700 -0.023 0.000 2.727 224 N HA -0.217 4.631 4.740 0.179 0.000 0.249 224 N C 0.954 176.444 175.510 -0.034 0.000 1.048 224 N CA 0.888 53.921 53.050 -0.029 0.000 0.714 224 N CB -0.902 37.563 38.487 -0.037 0.000 0.959 224 N HN 1.031 nan 8.380 nan 0.000 0.544 225 G N -1.963 106.822 108.800 -0.025 0.000 2.162 225 G HA2 -0.339 3.728 3.960 0.179 0.000 0.260 225 G HA3 -0.339 3.728 3.960 0.179 0.000 0.260 225 G C -0.171 174.703 174.900 -0.043 0.000 0.976 225 G CA 0.275 45.358 45.100 -0.028 0.000 0.655 225 G HN 0.497 nan 8.290 nan 0.000 0.533 226 N N 1.144 119.817 118.700 -0.045 0.000 2.417 226 N HA 0.417 5.264 4.740 0.179 0.000 0.300 226 N C -0.526 174.974 175.510 -0.018 0.000 1.102 226 N CA -0.644 52.371 53.050 -0.059 0.000 0.886 226 N CB 1.081 39.520 38.487 -0.081 0.000 1.203 226 N HN 0.121 nan 8.380 nan 0.000 0.496 227 D N 0.496 120.885 120.400 -0.018 0.000 2.423 227 D HA 0.178 4.925 4.640 0.179 0.000 0.238 227 D C -0.187 176.208 176.300 0.158 0.000 1.142 227 D CA 0.451 54.490 54.000 0.066 0.000 0.884 227 D CB 1.292 42.122 40.800 0.050 0.000 1.199 227 D HN 0.046 nan 8.370 nan 0.000 0.438 228 V N 2.518 122.577 119.914 0.242 0.000 3.023 228 V HA 0.569 4.796 4.120 0.179 0.000 0.294 228 V C -1.700 174.536 176.094 0.236 0.000 1.324 228 V CA -0.746 61.668 62.300 0.190 0.000 0.979 228 V CB 1.691 33.543 31.823 0.049 0.000 1.093 228 V HN 0.489 nan 8.190 nan 0.000 0.434 229 F N 2.704 122.694 119.950 0.067 0.000 2.640 229 F HA 0.940 5.575 4.527 0.179 0.000 0.324 229 F C -0.595 175.171 175.800 -0.056 0.000 1.077 229 F CA -0.820 57.173 58.000 -0.011 0.000 0.965 229 F CB 1.882 40.836 39.000 -0.077 0.000 1.351 229 F HN 0.460 nan 8.300 nan 0.000 0.487 230 E N 0.812 121.134 120.200 0.204 0.000 2.331 230 E HA 0.621 5.078 4.350 0.179 0.000 0.275 230 E C -1.822 174.872 176.600 0.157 0.000 0.895 230 E CA -1.134 55.308 56.400 0.071 0.000 0.753 230 E CB 3.218 32.933 29.700 0.025 0.000 1.216 230 E HN 0.520 nan 8.360 nan 0.000 0.434 231 V N 2.035 122.010 119.914 0.103 0.000 2.483 231 V HA 0.588 4.815 4.120 0.179 0.000 0.297 231 V C -0.496 175.599 176.094 0.001 0.000 1.027 231 V CA -0.494 61.860 62.300 0.090 0.000 0.855 231 V CB 1.441 33.403 31.823 0.231 0.000 0.995 231 V HN 0.826 nan 8.190 nan 0.000 0.424 232 S N 2.338 117.999 115.700 -0.065 0.000 2.625 232 S HA 0.571 5.148 4.470 0.179 0.000 0.271 232 S C -1.504 173.013 174.600 -0.137 0.000 1.161 232 S CA -1.086 57.063 58.200 -0.085 0.000 0.820 232 S CB 2.129 65.299 63.200 -0.051 0.000 1.137 232 S HN 0.531 nan 8.310 nan 0.000 0.470 233 D N 1.613 121.942 120.400 -0.119 0.000 2.341 233 D HA 0.286 5.033 4.640 0.179 0.000 0.245 233 D C 1.168 177.401 176.300 -0.112 0.000 1.106 233 D CA 0.223 54.145 54.000 -0.130 0.000 0.905 233 D CB 1.619 42.361 40.800 -0.097 0.000 1.202 233 D HN 0.656 nan 8.370 nan 0.000 0.426 234 S N 0.921 116.544 115.700 -0.128 0.000 2.446 234 S HA 0.117 4.694 4.470 0.179 0.000 0.225 234 S C 1.533 176.086 174.600 -0.077 0.000 1.016 234 S CA 0.726 58.863 58.200 -0.105 0.000 0.943 234 S CB 0.396 63.522 63.200 -0.123 0.000 0.786 234 S HN 0.800 nan 8.310 nan 0.000 0.508 235 G N 2.005 110.760 108.800 -0.075 0.000 2.278 235 G HA2 -0.209 3.859 3.960 0.179 0.000 0.210 235 G HA3 -0.209 3.859 3.960 0.179 0.000 0.210 235 G C 0.328 175.195 174.900 -0.055 0.000 1.000 235 G CA 0.355 45.421 45.100 -0.057 0.000 0.635 235 G HN 0.711 nan 8.290 nan 0.000 0.495 236 D N 0.133 120.493 120.400 -0.066 0.000 2.571 236 D HA 0.442 5.189 4.640 0.179 0.000 0.239 236 D C 1.446 177.703 176.300 -0.072 0.000 1.267 236 D CA 0.435 54.399 54.000 -0.060 0.000 0.823 236 D CB -0.128 40.640 40.800 -0.055 0.000 1.056 236 D HN 1.622 nan 8.370 nan 0.000 0.494 237 G N 0.569 109.317 108.800 -0.086 0.000 2.159 237 G HA2 -0.246 3.822 3.960 0.179 0.000 0.227 237 G HA3 -0.246 3.822 3.960 0.179 0.000 0.227 237 G C 0.080 174.894 174.900 -0.145 0.000 0.986 237 G CA -0.121 44.922 45.100 -0.095 0.000 0.651 237 G HN 0.420 nan 8.290 nan 0.000 0.523 238 K N -0.400 119.894 120.400 -0.177 0.000 2.139 238 K HA 0.704 5.132 4.320 0.179 0.000 0.243 238 K C -0.018 176.375 176.600 -0.344 0.000 0.983 238 K CA -0.823 55.302 56.287 -0.269 0.000 0.890 238 K CB 2.327 34.692 32.500 -0.224 0.000 1.090 238 K HN 0.017 nan 8.250 nan 0.000 0.445 239 V N 2.828 122.425 119.914 -0.529 0.000 2.370 239 V HA 0.215 4.442 4.120 0.179 0.000 0.279 239 V C -0.729 175.141 176.094 -0.374 0.000 1.029 239 V CA -0.796 61.170 62.300 -0.557 0.000 0.870 239 V CB 1.001 32.243 31.823 -0.970 0.000 0.984 239 V HN 0.471 nan 8.190 nan 0.000 0.451 240 L N 7.562 128.628 121.223 -0.261 0.000 2.257 240 L HA 0.621 5.068 4.340 0.179 0.000 0.290 240 L C -0.527 176.273 176.870 -0.116 0.000 1.044 240 L CA 0.437 55.166 54.840 -0.185 0.000 0.810 240 L CB 0.627 42.611 42.059 -0.125 0.000 1.193 240 L HN 0.537 nan 8.230 nan 0.000 0.425 241 I N 5.523 126.028 120.570 -0.109 0.000 2.406 241 I HA 0.421 4.698 4.170 0.179 0.000 0.290 241 I C -0.234 175.974 176.117 0.151 0.000 0.999 241 I CA -0.575 60.762 61.300 0.061 0.000 1.124 241 I CB 1.367 39.464 38.000 0.162 0.000 1.289 241 I HN 0.565 nan 8.210 nan 0.000 0.441 242 K N 3.971 124.468 120.400 0.162 0.000 2.221 242 K HA 0.908 5.335 4.320 0.179 0.000 0.243 242 K C -0.364 176.356 176.600 0.200 0.000 0.968 242 K CA -0.969 55.413 56.287 0.158 0.000 0.846 242 K CB 2.521 35.080 32.500 0.098 0.000 1.141 242 K HN 0.797 nan 8.250 nan 0.000 0.434 243 G N 0.450 109.352 108.800 0.171 0.000 2.556 243 G HA2 0.009 4.076 3.960 0.179 0.000 0.294 243 G HA3 0.009 4.076 3.960 0.179 0.000 0.294 243 G C -0.108 174.873 174.900 0.135 0.000 1.516 243 G CA -0.744 44.465 45.100 0.181 0.000 0.824 243 G HN 0.644 nan 8.290 nan 0.000 0.535 244 N N -0.085 118.694 118.700 0.132 0.000 2.381 244 N HA -0.070 4.777 4.740 0.179 0.000 0.182 244 N C 0.493 176.063 175.510 0.101 0.000 1.025 244 N CA 1.566 54.677 53.050 0.101 0.000 0.888 244 N CB -0.200 38.341 38.487 0.089 0.000 0.965 244 N HN 0.715 nan 8.380 nan 0.000 0.438 245 N N -2.408 116.361 118.700 0.115 0.000 3.344 245 N HA 0.299 5.147 4.740 0.179 0.000 0.296 245 N C 0.921 176.497 175.510 0.109 0.000 1.571 245 N CA -0.192 52.928 53.050 0.117 0.000 0.844 245 N CB 0.189 38.751 38.487 0.125 0.000 1.718 245 N HN -0.144 nan 8.380 nan 0.000 0.589 246 G N -0.193 108.689 108.800 0.136 0.000 2.459 246 G HA2 -0.238 3.829 3.960 0.179 0.000 0.217 246 G HA3 -0.238 3.829 3.960 0.179 0.000 0.217 246 G C 1.297 176.206 174.900 0.015 0.000 1.183 246 G CA 1.781 46.969 45.100 0.148 0.000 0.776 246 G HN 0.677 nan 8.290 nan 0.000 0.552 247 V N 0.364 120.283 119.914 0.009 0.000 2.407 247 V HA -0.133 4.094 4.120 0.179 0.000 0.248 247 V C 2.693 178.786 176.094 -0.003 0.000 1.055 247 V CA 2.968 65.216 62.300 -0.087 0.000 1.049 247 V CB -0.475 31.312 31.823 -0.060 0.000 0.662 247 V HN 0.282 nan 8.190 nan 0.000 0.455 248 S N 0.179 115.943 115.700 0.107 0.000 2.382 248 S HA -0.038 4.540 4.470 0.179 0.000 0.228 248 S C 1.765 176.400 174.600 0.057 0.000 1.027 248 S CA 1.936 60.252 58.200 0.193 0.000 0.991 248 S CB -0.411 62.950 63.200 0.269 0.000 0.823 248 S HN 0.629 nan 8.310 nan 0.000 0.469 249 L N 0.940 122.182 121.223 0.031 0.000 2.046 249 L HA -0.113 4.334 4.340 0.179 0.000 0.208 249 L C 2.741 179.567 176.870 -0.074 0.000 1.077 249 L CA 1.258 56.107 54.840 0.014 0.000 0.747 249 L CB -0.595 41.431 42.059 -0.054 0.000 0.896 249 L HN 0.319 nan 8.230 nan 0.000 0.432 250 A N -1.015 121.700 122.820 -0.176 0.000 1.969 250 A HA -0.153 4.274 4.320 0.179 0.000 0.218 250 A C 2.465 179.947 177.584 -0.171 0.000 1.169 250 A CA 1.845 53.773 52.037 -0.181 0.000 0.635 250 A CB -0.448 18.344 19.000 -0.348 0.000 0.810 250 A HN 0.369 nan 8.150 nan 0.000 0.445 251 S N -0.419 115.096 115.700 -0.308 0.000 2.406 251 S HA -0.015 4.562 4.470 0.179 0.000 0.228 251 S C 2.007 175.992 174.600 -1.024 0.000 1.020 251 S CA 0.944 58.794 58.200 -0.583 0.000 0.965 251 S CB -0.409 62.425 63.200 -0.609 0.000 0.798 251 S HN 0.746 nan 8.310 nan 0.000 0.488 252 G N 0.613 108.853 108.800 -0.933 0.000 2.403 252 G HA2 -0.155 3.912 3.960 0.179 0.000 0.216 252 G HA3 -0.155 3.912 3.960 0.179 0.000 0.216 252 G C 1.206 176.038 174.900 -0.113 0.000 1.154 252 G CA 0.384 45.023 45.100 -0.767 0.000 0.784 252 G HN 0.517 nan 8.290 nan 0.000 0.538 253 F N 1.706 121.579 119.950 -0.129 0.000 2.186 253 F HA -0.026 4.608 4.527 0.178 0.000 0.299 253 F C 2.112 177.895 175.800 -0.029 0.000 1.090 253 F CA 1.709 59.691 58.000 -0.029 0.000 1.307 253 F CB -0.295 38.645 39.000 -0.099 0.000 1.019 253 F HN 0.233 nan 8.300 nan 0.000 0.489 254 N N -1.183 117.337 118.700 -0.300 0.000 2.300 254 N HA -0.241 4.606 4.740 0.179 0.000 0.179 254 N C 2.104 177.475 175.510 -0.230 0.000 1.016 254 N CA 0.805 53.645 53.050 -0.349 0.000 0.876 254 N CB -0.411 37.939 38.487 -0.227 0.000 0.979 254 N HN 0.451 nan 8.380 nan 0.000 0.432 255 Y N 0.730 120.843 120.300 -0.312 0.000 2.165 255 Y HA -0.297 4.360 4.550 0.179 0.000 0.286 255 Y C 2.271 178.197 175.900 0.043 0.000 1.155 255 Y CA 1.858 59.871 58.100 -0.145 0.000 1.164 255 Y CB -0.608 37.784 38.460 -0.114 0.000 0.978 255 Y HN 0.158 nan 8.280 nan 0.000 0.513 256 Y N 0.147 120.511 120.300 0.107 0.000 2.200 256 Y HA -0.227 4.430 4.550 0.179 0.000 0.290 256 Y C 2.032 177.957 175.900 0.041 0.000 1.137 256 Y CA 1.835 60.057 58.100 0.204 0.000 1.163 256 Y CB -0.600 37.977 38.460 0.194 0.000 0.988 256 Y HN 0.136 nan 8.280 nan 0.000 0.518 257 L N 0.078 121.143 121.223 -0.263 0.000 2.017 257 L HA -0.254 4.193 4.340 0.179 0.000 0.208 257 L C 2.457 179.110 176.870 -0.362 0.000 1.073 257 L CA 1.840 56.450 54.840 -0.383 0.000 0.745 257 L CB -0.596 41.207 42.059 -0.428 0.000 0.894 257 L HN 0.152 nan 8.230 nan 0.000 0.432 258 K N -0.137 120.059 120.400 -0.340 0.000 2.025 258 K HA -0.095 4.332 4.320 0.179 0.000 0.207 258 K C 1.688 178.024 176.600 -0.440 0.000 1.049 258 K CA 1.288 57.367 56.287 -0.347 0.000 0.933 258 K CB -0.122 32.193 32.500 -0.309 0.000 0.714 258 K HN 0.383 nan 8.250 nan 0.000 0.438 259 N N -0.762 117.591 118.700 -0.579 0.000 2.325 259 N HA 0.007 4.854 4.740 0.179 0.000 0.182 259 N C 0.831 175.765 175.510 -0.961 0.000 1.088 259 N CA 0.770 53.343 53.050 -0.796 0.000 0.879 259 N CB 0.476 38.301 38.487 -1.104 0.000 0.983 259 N HN 0.245 nan 8.380 nan 0.000 0.471 260 Y N -1.134 118.891 120.300 -0.459 0.000 2.512 260 Y HA 0.243 4.900 4.550 0.179 0.000 0.268 260 Y C 1.848 177.483 175.900 -0.441 0.000 1.102 260 Y CA -0.184 57.648 58.100 -0.448 0.000 1.261 260 Y CB 0.258 38.383 38.460 -0.559 0.000 1.250 260 Y HN -0.004 nan 8.280 nan 0.000 0.506 261 C N -0.204 118.871 119.300 -0.375 0.000 3.070 261 C HA 0.204 4.771 4.460 0.179 0.000 0.280 261 C C 1.134 175.983 174.990 -0.235 0.000 1.264 261 C CA -0.089 58.752 59.018 -0.296 0.000 1.690 261 C CB -0.979 26.564 27.740 -0.330 0.000 2.049 261 C HN 0.702 nan 8.230 nan 0.000 0.636 262 N N 0.701 119.248 118.700 -0.256 0.000 2.725 262 N HA -0.170 4.677 4.740 0.179 0.000 0.249 262 N C -0.582 174.806 175.510 -0.203 0.000 1.103 262 N CA 0.271 53.186 53.050 -0.226 0.000 0.707 262 N CB -0.509 37.868 38.487 -0.183 0.000 1.043 262 N HN 0.347 nan 8.380 nan 0.000 0.553 263 V N 0.544 120.328 119.914 -0.217 0.000 2.630 263 V HA 0.611 4.838 4.120 0.179 0.000 0.305 263 V C 0.133 176.131 176.094 -0.160 0.000 1.046 263 V CA -0.378 61.816 62.300 -0.176 0.000 0.934 263 V CB 1.822 33.531 31.823 -0.191 0.000 1.003 263 V HN 0.237 nan 8.190 nan 0.000 0.451 264 S N 2.885 118.530 115.700 -0.092 0.000 2.619 264 S HA 0.574 5.151 4.470 0.179 0.000 0.280 264 S C -1.839 172.820 174.600 0.099 0.000 1.150 264 S CA -0.435 57.744 58.200 -0.035 0.000 0.978 264 S CB 0.958 64.084 63.200 -0.122 0.000 1.041 264 S HN 0.612 nan 8.310 nan 0.000 0.485 265 Y N 5.206 125.516 120.300 0.018 0.000 2.334 265 Y HA 0.659 5.317 4.550 0.180 0.000 0.336 265 Y C -0.486 175.532 175.900 0.196 0.000 0.960 265 Y CA -0.991 57.157 58.100 0.079 0.000 1.164 265 Y CB 1.011 39.522 38.460 0.086 0.000 1.155 265 Y HN 0.695 nan 8.280 nan 0.000 0.478 266 N N 8.781 127.287 118.700 -0.322 0.000 2.653 266 N HA 0.238 5.085 4.740 0.179 0.000 0.261 266 N C -2.533 172.580 175.510 -0.661 0.000 1.216 266 N CA -1.600 51.124 53.050 -0.544 0.000 0.784 266 N CB 2.138 40.480 38.487 -0.241 0.000 1.327 266 N HN 0.348 nan 8.380 nan 0.000 0.539 267 P HA -0.012 nan 4.420 nan 0.000 0.225 267 P C 1.153 178.236 177.300 -0.362 0.000 1.148 267 P CA 0.796 63.585 63.100 -0.518 0.000 0.779 267 P CB 0.922 32.353 31.700 -0.448 0.000 0.780 268 I N -1.435 118.869 120.570 -0.442 0.000 3.039 268 I HA 0.096 4.373 4.170 0.179 0.000 0.270 268 I C 1.967 177.958 176.117 -0.209 0.000 1.150 268 I CA 0.795 61.927 61.300 -0.281 0.000 1.448 268 I CB -0.107 37.718 38.000 -0.293 0.000 1.197 268 I HN -0.236 nan 8.210 nan 0.000 0.450 269 M N 0.981 120.377 119.600 -0.339 0.000 2.778 269 M HA 0.439 5.026 4.480 0.179 0.000 0.359 269 M C 0.012 175.843 176.300 -0.781 0.000 1.216 269 M CA -0.257 54.758 55.300 -0.475 0.000 0.935 269 M CB 0.892 33.353 32.600 -0.232 0.000 1.330 269 M HN 0.170 nan 8.290 nan 0.000 0.516 270 G N 0.850 109.359 108.800 -0.484 0.000 3.209 270 G HA2 -0.103 3.964 3.960 0.179 0.000 0.686 270 G HA3 -0.103 3.964 3.960 0.179 0.000 0.686 270 G C -0.954 173.854 174.900 -0.154 0.000 1.065 270 G CA -0.828 44.080 45.100 -0.319 0.000 0.812 270 G HN 0.328 nan 8.290 nan 0.000 0.573 271 S N 0.247 115.916 115.700 -0.052 0.000 2.677 271 S HA 0.815 5.392 4.470 0.179 0.000 0.304 271 S C -0.106 174.520 174.600 0.043 0.000 1.108 271 S CA -0.724 57.488 58.200 0.019 0.000 0.944 271 S CB 1.936 65.199 63.200 0.105 0.000 1.127 271 S HN 1.211 nan 8.310 nan 0.000 0.511 272 N N 0.998 119.719 118.700 0.035 0.000 2.540 272 N HA 0.386 5.233 4.740 0.179 0.000 0.275 272 N C -0.916 174.593 175.510 -0.001 0.000 1.053 272 N CA -0.346 52.715 53.050 0.018 0.000 0.876 272 N CB 0.382 38.864 38.487 -0.008 0.000 1.284 272 N HN 0.514 nan 8.380 nan 0.000 0.518 273 L N 1.788 123.015 121.223 0.007 0.000 2.959 273 L HA 0.347 4.794 4.340 0.179 0.000 0.259 273 L C 0.631 177.471 176.870 -0.049 0.000 1.185 273 L CA -0.277 54.551 54.840 -0.019 0.000 0.998 273 L CB 0.132 42.204 42.059 0.022 0.000 1.337 273 L HN 0.423 nan 8.230 nan 0.000 0.555 274 K N 2.197 122.573 120.400 -0.040 0.000 2.294 274 K HA 0.153 4.580 4.320 0.179 0.000 0.288 274 K C 0.025 176.575 176.600 -0.083 0.000 1.072 274 K CA -0.168 56.097 56.287 -0.037 0.000 0.960 274 K CB 0.387 32.870 32.500 -0.028 0.000 1.043 274 K HN -0.006 nan 8.250 nan 0.000 0.455 275 M N 4.910 124.443 119.600 -0.111 0.000 2.242 275 M HA 0.226 4.813 4.480 0.179 0.000 0.344 275 M C -1.871 174.402 176.300 -0.046 0.000 1.140 275 M CA -2.430 52.761 55.300 -0.181 0.000 1.160 275 M CB 0.048 32.335 32.600 -0.522 0.000 1.491 275 M HN 0.410 nan 8.290 nan 0.000 0.459 276 P HA 0.062 nan 4.420 nan 0.000 0.269 276 P C 0.324 177.664 177.300 0.067 0.000 1.217 276 P CA -0.046 63.053 63.100 -0.001 0.000 0.783 276 P CB 0.378 32.068 31.700 -0.017 0.000 0.898 277 E N -0.738 119.496 120.200 0.057 0.000 2.204 277 E HA -0.096 4.361 4.350 0.179 0.000 0.195 277 E C 0.616 177.270 176.600 0.089 0.000 0.990 277 E CA 1.046 57.491 56.400 0.075 0.000 0.821 277 E CB -0.035 29.687 29.700 0.037 0.000 0.750 277 E HN 0.429 nan 8.360 nan 0.000 0.477 278 T N -0.103 114.494 114.554 0.071 0.000 2.912 278 T HA 0.298 4.755 4.350 0.179 0.000 0.299 278 T C -0.696 174.043 174.700 0.066 0.000 1.052 278 T CA -0.946 61.193 62.100 0.064 0.000 0.996 278 T CB 1.124 70.011 68.868 0.031 0.000 1.070 278 T HN -0.159 nan 8.240 nan 0.000 0.465 279 M N 5.701 125.341 119.600 0.068 0.000 2.307 279 M HA 0.250 4.837 4.480 0.179 0.000 0.346 279 M C -1.953 174.389 176.300 0.071 0.000 1.552 279 M CA -1.984 53.361 55.300 0.074 0.000 1.116 279 M CB -0.057 32.548 32.600 0.008 0.000 1.889 279 M HN 0.492 nan 8.290 nan 0.000 0.460 280 P HA 0.179 nan 4.420 nan 0.000 0.276 280 P C -0.382 176.994 177.300 0.127 0.000 1.230 280 P CA -0.209 62.944 63.100 0.088 0.000 0.776 280 P CB 0.520 32.254 31.700 0.056 0.000 0.888 281 S N 1.156 116.893 115.700 0.061 0.000 2.572 281 S HA 0.060 4.637 4.470 0.179 0.000 0.279 281 S C 1.765 176.350 174.600 -0.026 0.000 1.341 281 S CA -0.672 57.535 58.200 0.011 0.000 1.043 281 S CB 0.555 63.755 63.200 0.001 0.000 0.887 281 S HN 0.253 nan 8.310 nan 0.000 0.516 282 V N 2.376 122.195 119.914 -0.158 0.000 2.535 282 V HA 0.135 4.362 4.120 0.179 0.000 0.246 282 V C 1.766 177.824 176.094 -0.060 0.000 1.045 282 V CA 1.365 63.434 62.300 -0.385 0.000 1.058 282 V CB -1.825 29.790 31.823 -0.347 0.000 0.689 282 V HN 1.228 nan 8.190 nan 0.000 0.461 283 G N 0.359 109.150 108.800 -0.015 0.000 2.543 283 G HA2 -0.369 3.698 3.960 0.179 0.000 0.286 283 G HA3 -0.369 3.698 3.960 0.179 0.000 0.286 283 G C 0.164 175.082 174.900 0.030 0.000 1.153 283 G CA 0.389 45.508 45.100 0.033 0.000 0.968 283 G HN 0.559 nan 8.290 nan 0.000 0.544 284 E N 2.297 122.534 120.200 0.063 0.000 2.415 284 E HA 0.274 4.731 4.350 0.179 0.000 0.263 284 E C 1.360 177.995 176.600 0.058 0.000 0.995 284 E CA -0.047 56.386 56.400 0.054 0.000 0.915 284 E CB 0.198 29.936 29.700 0.064 0.000 0.951 284 E HN 0.620 nan 8.360 nan 0.000 0.449 285 R N 2.270 122.785 120.500 0.026 0.000 2.570 285 R HA 0.134 4.582 4.340 0.179 0.000 0.277 285 R C -0.160 176.153 176.300 0.022 0.000 1.039 285 R CA -0.512 55.597 56.100 0.015 0.000 1.065 285 R CB 0.236 30.531 30.300 -0.007 0.000 0.964 285 R HN 0.219 nan 8.270 nan 0.000 0.428 286 V N 0.471 120.397 119.914 0.020 0.000 2.532 286 V HA 0.636 4.863 4.120 0.179 0.000 0.295 286 V C -0.195 175.819 176.094 -0.134 0.000 1.041 286 V CA -0.963 61.309 62.300 -0.046 0.000 0.926 286 V CB 1.851 33.636 31.823 -0.063 0.000 0.992 286 V HN 0.576 nan 8.190 nan 0.000 0.457 287 V N 5.399 125.202 119.914 -0.185 0.000 2.443 287 V HA 0.531 4.758 4.120 0.179 0.000 0.293 287 V C -0.474 175.401 176.094 -0.365 0.000 1.021 287 V CA -0.330 61.820 62.300 -0.250 0.000 0.848 287 V CB 1.392 33.132 31.823 -0.138 0.000 0.998 287 V HN 0.769 nan 8.190 nan 0.000 0.424 288 I N 5.236 125.393 120.570 -0.689 0.000 2.389 288 I HA 0.493 4.770 4.170 0.179 0.000 0.288 288 I C -0.392 175.478 176.117 -0.412 0.000 0.999 288 I CA -0.314 60.577 61.300 -0.681 0.000 1.129 288 I CB 1.952 39.233 38.000 -1.198 0.000 1.288 288 I HN 0.756 nan 8.210 nan 0.000 0.444 289 D N 3.830 124.187 120.400 -0.072 0.000 2.449 289 D HA 0.434 5.181 4.640 0.179 0.000 0.250 289 D C -0.594 175.804 176.300 0.164 0.000 1.050 289 D CA -0.376 53.672 54.000 0.080 0.000 1.024 289 D CB 2.468 43.260 40.800 -0.014 0.000 1.218 289 D HN 0.347 nan 8.370 nan 0.000 0.566 290 T N -0.698 113.835 114.554 -0.033 0.000 2.879 290 T HA 0.404 4.861 4.350 0.179 0.000 0.290 290 T C -2.129 172.402 174.700 -0.281 0.000 0.993 290 T CA -1.815 60.121 62.100 -0.273 0.000 0.975 290 T CB 1.660 70.021 68.868 -0.845 0.000 0.981 290 T HN 0.209 nan 8.240 nan 0.000 0.439 291 P HA 0.038 nan 4.420 nan 0.000 0.234 291 P C -0.384 176.570 177.300 -0.577 0.000 1.167 291 P CA 0.379 63.181 63.100 -0.496 0.000 0.763 291 P CB -0.099 31.211 31.700 -0.650 0.000 0.835 292 Y N 0.382 120.522 120.300 -0.267 0.000 2.326 292 Y HA 0.200 4.857 4.550 0.180 0.000 0.337 292 Y C 1.948 177.688 175.900 -0.266 0.000 1.023 292 Y CA -0.487 57.459 58.100 -0.257 0.000 1.143 292 Y CB 0.724 39.030 38.460 -0.256 0.000 1.183 292 Y HN -0.105 nan 8.280 nan 0.000 0.485 293 E N 2.206 122.316 120.200 -0.150 0.000 2.110 293 E HA -0.144 4.313 4.350 0.179 0.000 0.193 293 E C -0.278 176.045 176.600 -0.462 0.000 0.988 293 E CA 0.884 57.082 56.400 -0.337 0.000 0.804 293 E CB 0.225 29.657 29.700 -0.447 0.000 0.745 293 E HN 0.606 nan 8.360 nan 0.000 0.458 294 H N -0.523 118.543 119.070 -0.006 0.000 2.572 294 H HA 0.460 5.123 4.556 0.179 0.000 0.359 294 H C -0.694 174.616 175.328 -0.030 0.000 1.134 294 H CA -0.671 55.356 56.048 -0.035 0.000 1.187 294 H CB 1.467 31.203 29.762 -0.042 0.000 1.597 294 H HN -0.058 nan 8.280 nan 0.000 0.524 295 R N 1.862 122.415 120.500 0.089 0.000 2.388 295 R HA 0.203 4.650 4.340 0.179 0.000 0.314 295 R C -1.252 175.135 176.300 0.144 0.000 0.959 295 R CA -0.628 55.525 56.100 0.089 0.000 0.851 295 R CB 1.430 31.711 30.300 -0.033 0.000 1.168 295 R HN 0.490 nan 8.270 nan 0.000 0.472 296 Y N 1.798 122.171 120.300 0.121 0.000 2.387 296 Y HA 0.703 5.359 4.550 0.178 0.000 0.330 296 Y C -0.865 175.165 175.900 0.217 0.000 1.133 296 Y CA -0.725 57.433 58.100 0.098 0.000 1.152 296 Y CB 1.495 39.987 38.460 0.053 0.000 1.215 296 Y HN 0.669 nan 8.280 nan 0.000 0.466 297 A N 6.072 128.483 122.820 -0.682 0.000 2.393 297 A HA 0.834 5.261 4.320 0.179 0.000 0.306 297 A C -1.647 175.531 177.584 -0.676 0.000 1.050 297 A CA -0.754 51.072 52.037 -0.351 0.000 0.724 297 A CB 0.772 19.807 19.000 0.058 0.000 1.248 297 A HN 0.946 nan 8.150 nan 0.000 0.424 298 L N 1.642 122.725 121.223 -0.234 0.000 2.508 298 L HA -0.099 4.348 4.340 0.179 0.000 0.410 298 L C -0.612 176.277 176.870 0.032 0.000 1.005 298 L CA -0.525 54.252 54.840 -0.104 0.000 1.100 298 L CB -0.599 41.363 42.059 -0.162 0.000 1.363 298 L HN 0.940 nan 8.230 nan 0.000 0.744 299 N N 1.547 120.262 118.700 0.024 0.000 2.445 299 N HA 0.353 5.200 4.740 0.179 0.000 0.264 299 N C 0.790 176.291 175.510 -0.015 0.000 1.227 299 N CA -0.129 52.941 53.050 0.034 0.000 0.963 299 N CB 0.824 39.306 38.487 -0.009 0.000 1.188 299 N HN 0.466 nan 8.380 nan 0.000 0.491 300 F N 0.674 120.594 119.950 -0.050 0.000 2.171 300 F HA -0.167 4.466 4.527 0.177 0.000 0.300 300 F C 2.530 178.187 175.800 -0.239 0.000 1.090 300 F CA 0.968 58.902 58.000 -0.110 0.000 1.293 300 F CB -0.186 38.665 39.000 -0.248 0.000 1.013 300 F HN 0.507 nan 8.300 nan 0.000 0.486 301 C N -0.407 118.818 119.300 -0.125 0.000 2.419 301 C HA -0.161 4.406 4.460 0.179 0.000 0.283 301 C C 2.653 177.522 174.990 -0.202 0.000 1.373 301 C CA 1.538 60.378 59.018 -0.297 0.000 1.781 301 C CB -1.594 26.185 27.740 0.065 0.000 1.886 301 C HN 0.491 nan 8.230 nan 0.000 0.520 302 T N -0.234 114.241 114.554 -0.132 0.000 2.788 302 T HA -0.195 4.262 4.350 0.179 0.000 0.268 302 T C 1.387 175.839 174.700 -0.413 0.000 1.044 302 T CA 1.458 63.414 62.100 -0.239 0.000 1.139 302 T CB -0.467 68.206 68.868 -0.325 0.000 0.867 302 T HN 0.602 nan 8.240 nan 0.000 0.454 303 Y N 1.390 121.494 120.300 -0.328 0.000 2.483 303 Y HA -0.091 4.566 4.550 0.179 0.000 0.291 303 Y C 2.723 178.421 175.900 -0.338 0.000 1.143 303 Y CA 0.721 58.632 58.100 -0.315 0.000 1.289 303 Y CB -0.043 38.316 38.460 -0.169 0.000 0.983 303 Y HN 0.190 nan 8.280 nan 0.000 0.556 304 S N -2.117 113.409 115.700 -0.291 0.000 2.694 304 S HA -0.028 4.549 4.470 0.179 0.000 0.225 304 S C 1.355 175.838 174.600 -0.196 0.000 1.012 304 S CA 0.076 58.046 58.200 -0.383 0.000 0.896 304 S CB -0.443 62.368 63.200 -0.648 0.000 0.838 304 S HN 0.267 nan 8.310 nan 0.000 0.604 305 Y N 2.521 122.831 120.300 0.017 0.000 2.256 305 Y HA -0.053 4.608 4.550 0.186 0.000 0.288 305 Y C 2.631 178.540 175.900 0.015 0.000 1.155 305 Y CA 0.967 59.100 58.100 0.055 0.000 1.203 305 Y CB -0.977 37.529 38.460 0.076 0.000 0.980 305 Y HN 0.258 nan 8.280 nan 0.000 0.530 306 T N -1.659 112.909 114.554 0.024 0.000 3.114 306 T HA 0.099 4.556 4.350 0.179 0.000 0.240 306 T C 1.448 175.938 174.700 -0.351 0.000 0.983 306 T CA 0.569 62.624 62.100 -0.075 0.000 1.151 306 T CB 0.001 68.733 68.868 -0.226 0.000 0.974 306 T HN 0.103 nan 8.240 nan 0.000 0.442 307 M N 1.288 120.402 119.600 -0.809 0.000 2.428 307 M HA 0.284 4.871 4.480 0.179 0.000 0.239 307 M C 2.016 177.928 176.300 -0.647 0.000 1.121 307 M CA -0.025 54.435 55.300 -1.400 0.000 1.019 307 M CB -0.044 31.531 32.600 -1.709 0.000 1.485 307 M HN 0.020 nan 8.290 nan 0.000 0.484 308 S N 1.305 116.659 115.700 -0.577 0.000 2.378 308 S HA -0.159 4.419 4.470 0.179 0.000 0.229 308 S C 1.030 175.260 174.600 -0.616 0.000 1.052 308 S CA 1.750 59.465 58.200 -0.810 0.000 1.084 308 S CB -0.312 61.874 63.200 -1.689 0.000 0.950 308 S HN 0.591 nan 8.310 nan 0.000 0.440 309 F N -0.967 118.973 119.950 -0.016 0.000 2.772 309 F HA 0.346 4.979 4.527 0.176 0.000 0.302 309 F C -0.105 175.859 175.800 0.273 0.000 1.136 309 F CA -1.237 56.811 58.000 0.080 0.000 1.322 309 F CB 0.087 39.024 39.000 -0.105 0.000 0.967 309 F HN 0.071 nan 8.300 nan 0.000 0.513 310 W N 3.457 124.825 121.300 0.114 0.000 2.181 310 W HA 0.167 4.933 4.660 0.177 0.000 0.335 310 W C 0.563 177.222 176.519 0.234 0.000 1.310 310 W CA -0.973 56.411 57.345 0.065 0.000 1.226 310 W CB 0.216 29.514 29.460 -0.269 0.000 1.155 310 W HN 0.189 nan 8.180 nan 0.000 0.565 311 D N 1.012 121.625 120.400 0.355 0.000 2.529 311 D HA 0.034 4.781 4.640 0.179 0.000 0.273 311 D C 1.271 177.826 176.300 0.426 0.000 1.197 311 D CA -0.650 53.562 54.000 0.354 0.000 1.070 311 D CB -0.130 40.810 40.800 0.234 0.000 1.134 311 D HN 0.555 nan 8.370 nan 0.000 0.590 312 W N 0.350 121.784 121.300 0.223 0.000 2.338 312 W HA -0.215 4.553 4.660 0.179 0.000 0.304 312 W C 0.595 177.210 176.519 0.160 0.000 1.212 312 W CA 1.687 59.155 57.345 0.206 0.000 1.264 312 W CB -0.060 29.471 29.460 0.118 0.000 1.142 312 W HN 0.299 nan 8.180 nan 0.000 0.512 313 D N 0.313 120.694 120.400 -0.032 0.000 2.126 313 D HA -0.278 4.469 4.640 0.179 0.000 0.190 313 D C 2.180 178.285 176.300 -0.326 0.000 1.001 313 D CA 2.239 56.130 54.000 -0.183 0.000 0.841 313 D CB -0.768 40.005 40.800 -0.045 0.000 0.949 313 D HN 0.341 nan 8.370 nan 0.000 0.446 314 Q N -1.191 118.392 119.800 -0.361 0.000 2.084 314 Q HA -0.153 4.295 4.340 0.179 0.000 0.202 314 Q C 2.161 177.681 176.000 -0.799 0.000 0.978 314 Q CA 1.036 56.396 55.803 -0.739 0.000 0.844 314 Q CB -0.170 27.855 28.738 -1.189 0.000 0.898 314 Q HN 0.468 nan 8.270 nan 0.000 0.426 315 Y N 0.775 120.817 120.300 -0.430 0.000 2.181 315 Y HA -0.250 4.408 4.550 0.180 0.000 0.288 315 Y C 2.446 178.145 175.900 -0.334 0.000 1.146 315 Y CA 1.594 59.611 58.100 -0.138 0.000 1.164 315 Y CB 0.029 38.537 38.460 0.080 0.000 0.982 315 Y HN 0.213 nan 8.280 nan 0.000 0.515 316 E N 0.540 120.309 120.200 -0.720 0.000 2.077 316 E HA -0.287 4.170 4.350 0.179 0.000 0.193 316 E C 2.039 178.520 176.600 -0.198 0.000 0.989 316 E CA 1.472 57.449 56.400 -0.705 0.000 0.800 316 E CB -0.147 28.956 29.700 -0.995 0.000 0.746 316 E HN 0.563 nan 8.360 nan 0.000 0.452 317 E N -0.642 119.443 120.200 -0.192 0.000 2.110 317 E HA -0.183 4.274 4.350 0.179 0.000 0.193 317 E C 1.837 178.480 176.600 0.072 0.000 0.988 317 E CA 0.955 57.331 56.400 -0.039 0.000 0.804 317 E CB -0.189 29.426 29.700 -0.142 0.000 0.745 317 E HN 0.318 nan 8.360 nan 0.000 0.458 318 F N 1.022 120.894 119.950 -0.131 0.000 2.134 318 F HA -0.130 4.505 4.527 0.180 0.000 0.299 318 F C 1.803 177.728 175.800 0.209 0.000 1.097 318 F CA 1.208 59.242 58.000 0.057 0.000 1.264 318 F CB -0.133 38.928 39.000 0.102 0.000 1.001 318 F HN -0.026 nan 8.300 nan 0.000 0.479 319 L N -0.233 121.039 121.223 0.082 0.000 2.141 319 L HA -0.177 4.270 4.340 0.179 0.000 0.209 319 L C 2.094 178.947 176.870 -0.028 0.000 1.094 319 L CA 1.051 55.912 54.840 0.035 0.000 0.763 319 L CB -0.793 41.443 42.059 0.294 0.000 0.908 319 L HN 0.051 nan 8.230 nan 0.000 0.437 320 D N -0.598 119.847 120.400 0.074 0.000 2.097 320 D HA -0.245 4.502 4.640 0.179 0.000 0.195 320 D C 1.700 178.030 176.300 0.050 0.000 0.989 320 D CA 1.177 55.195 54.000 0.031 0.000 0.827 320 D CB -0.264 40.637 40.800 0.169 0.000 0.966 320 D HN 0.388 nan 8.370 nan 0.000 0.456 321 W N 1.237 122.519 121.300 -0.030 0.000 2.358 321 W HA -0.226 4.542 4.660 0.180 0.000 0.303 321 W C 2.329 178.695 176.519 -0.256 0.000 1.208 321 W CA 0.969 58.262 57.345 -0.086 0.000 1.274 321 W CB -0.548 28.797 29.460 -0.192 0.000 1.138 321 W HN -0.025 nan 8.180 nan 0.000 0.515 322 C N 0.572 119.591 119.300 -0.467 0.000 2.418 322 C HA -0.199 4.368 4.460 0.179 0.000 0.280 322 C C 3.118 177.746 174.990 -0.604 0.000 1.223 322 C CA 2.305 60.903 59.018 -0.701 0.000 1.736 322 C CB -1.623 25.746 27.740 -0.617 0.000 2.056 322 C HN 0.511 nan 8.230 nan 0.000 0.459 323 A N -0.077 122.422 122.820 -0.535 0.000 1.917 323 A HA -0.277 4.151 4.320 0.179 0.000 0.219 323 A C 2.092 179.424 177.584 -0.420 0.000 1.182 323 A CA 2.362 54.057 52.037 -0.570 0.000 0.633 323 A CB -0.668 17.679 19.000 -1.088 0.000 0.819 323 A HN 0.671 nan 8.150 nan 0.000 0.448 324 M N -1.028 118.352 119.600 -0.367 0.000 2.374 324 M HA -0.108 4.479 4.480 0.179 0.000 0.264 324 M C 0.984 177.107 176.300 -0.295 0.000 1.067 324 M CA 1.280 56.429 55.300 -0.251 0.000 1.103 324 M CB -0.248 32.301 32.600 -0.084 0.000 1.402 324 M HN 0.441 nan 8.290 nan 0.000 0.444 325 N N -0.673 117.756 118.700 -0.452 0.000 2.236 325 N HA 0.192 5.039 4.740 0.179 0.000 0.196 325 N C 0.670 176.020 175.510 -0.267 0.000 1.114 325 N CA 0.647 53.450 53.050 -0.411 0.000 0.859 325 N CB 0.939 38.988 38.487 -0.730 0.000 0.982 325 N HN 0.397 nan 8.380 nan 0.000 0.493 326 G N -0.590 108.096 108.800 -0.190 0.000 2.159 326 G HA2 -0.241 3.826 3.960 0.179 0.000 0.227 326 G HA3 -0.241 3.826 3.960 0.179 0.000 0.227 326 G C -0.198 174.588 174.900 -0.190 0.000 0.986 326 G CA -0.197 44.959 45.100 0.094 0.000 0.651 326 G HN 0.133 nan 8.290 nan 0.000 0.523 327 V N 2.026 121.670 119.914 -0.450 0.000 2.521 327 V HA 0.418 4.645 4.120 0.179 0.000 0.286 327 V C 0.936 176.898 176.094 -0.219 0.000 1.034 327 V CA 0.645 62.684 62.300 -0.434 0.000 1.045 327 V CB 1.294 32.745 31.823 -0.620 0.000 0.974 327 V HN 0.652 nan 8.190 nan 0.000 0.480 328 N N 3.837 122.464 118.700 -0.122 0.000 2.240 328 N HA 0.238 5.085 4.740 0.179 0.000 0.240 328 N C -0.902 174.586 175.510 -0.036 0.000 1.277 328 N CA -0.269 52.752 53.050 -0.049 0.000 0.873 328 N CB 0.782 39.259 38.487 -0.016 0.000 1.222 328 N HN 0.473 nan 8.380 nan 0.000 0.507 329 L N 0.318 121.504 121.223 -0.060 0.000 2.661 329 L HA 0.573 5.020 4.340 0.179 0.000 0.263 329 L C -1.902 174.898 176.870 -0.118 0.000 0.956 329 L CA -0.530 54.263 54.840 -0.078 0.000 0.918 329 L CB 1.958 43.972 42.059 -0.075 0.000 1.280 329 L HN -0.104 nan 8.230 nan 0.000 0.416 330 V N 4.813 124.662 119.914 -0.108 0.000 2.709 330 V HA 0.485 4.712 4.120 0.179 0.000 0.308 330 V C -0.353 175.702 176.094 -0.065 0.000 1.062 330 V CA -0.767 61.447 62.300 -0.143 0.000 0.901 330 V CB 2.056 33.885 31.823 0.009 0.000 1.003 330 V HN 0.659 nan 8.190 nan 0.000 0.425 331 L N 3.835 124.997 121.223 -0.102 0.000 2.416 331 L HA 0.558 5.005 4.340 0.179 0.000 0.272 331 L C -0.389 176.530 176.870 0.082 0.000 1.161 331 L CA 0.824 55.659 54.840 -0.009 0.000 0.845 331 L CB 0.751 42.766 42.059 -0.072 0.000 1.119 331 L HN 0.791 nan 8.230 nan 0.000 0.464 332 D N 4.527 124.883 120.400 -0.073 0.000 2.575 332 D HA 0.261 5.008 4.640 0.179 0.000 0.250 332 D C 0.084 176.154 176.300 -0.383 0.000 1.279 332 D CA -0.291 53.638 54.000 -0.119 0.000 0.925 332 D CB 0.883 41.657 40.800 -0.043 0.000 1.261 332 D HN 0.551 nan 8.370 nan 0.000 0.567 333 I N 0.834 120.977 120.570 -0.712 0.000 4.147 333 I HA 0.417 4.694 4.170 0.179 0.000 0.329 333 I C 0.120 175.910 176.117 -0.545 0.000 1.424 333 I CA -0.425 60.453 61.300 -0.702 0.000 1.127 333 I CB 0.153 37.633 38.000 -0.866 0.000 1.128 333 I HN 0.150 nan 8.210 nan 0.000 0.417 334 I N 3.896 124.216 120.570 -0.417 0.000 2.741 334 I HA 0.104 4.382 4.170 0.179 0.000 0.288 334 I C 1.562 177.584 176.117 -0.157 0.000 1.192 334 I CA 1.499 62.643 61.300 -0.260 0.000 1.426 334 I CB 0.096 37.934 38.000 -0.269 0.000 1.367 334 I HN 0.589 nan 8.210 nan 0.000 0.563 335 G N 4.492 113.243 108.800 -0.083 0.000 2.162 335 G HA2 -0.263 3.804 3.960 0.179 0.000 0.260 335 G HA3 -0.263 3.804 3.960 0.179 0.000 0.260 335 G C 0.918 175.930 174.900 0.187 0.000 0.976 335 G CA -0.112 45.039 45.100 0.085 0.000 0.655 335 G HN 0.620 nan 8.290 nan 0.000 0.533 336 Q N -0.153 119.691 119.800 0.073 0.000 2.437 336 Q HA -0.015 4.432 4.340 0.179 0.000 0.210 336 Q C 2.224 178.411 176.000 0.311 0.000 0.972 336 Q CA 1.637 57.512 55.803 0.121 0.000 0.903 336 Q CB -0.039 28.563 28.738 -0.226 0.000 0.967 336 Q HN 0.765 nan 8.270 nan 0.000 0.486 337 E N 0.613 120.992 120.200 0.299 0.000 2.110 337 E HA -0.195 4.262 4.350 0.179 0.000 0.193 337 E C 1.791 178.706 176.600 0.525 0.000 0.988 337 E CA 1.198 57.839 56.400 0.400 0.000 0.804 337 E CB -0.051 29.815 29.700 0.276 0.000 0.745 337 E HN 0.250 nan 8.360 nan 0.000 0.458 338 E N 0.313 120.776 120.200 0.439 0.000 2.106 338 E HA -0.105 4.352 4.350 0.179 0.000 0.192 338 E C 1.864 178.559 176.600 0.158 0.000 0.984 338 E CA 0.774 57.395 56.400 0.367 0.000 0.806 338 E CB -0.152 29.674 29.700 0.210 0.000 0.750 338 E HN 0.096 nan 8.360 nan 0.000 0.458 339 V N 0.664 120.637 119.914 0.099 0.000 2.295 339 V HA -0.226 4.001 4.120 0.179 0.000 0.246 339 V C 2.434 178.577 176.094 0.081 0.000 1.049 339 V CA 1.751 64.036 62.300 -0.025 0.000 1.024 339 V CB -0.578 31.177 31.823 -0.114 0.000 0.648 339 V HN 0.307 nan 8.190 nan 0.000 0.447 340 L N 0.100 121.500 121.223 0.295 0.000 2.093 340 L HA -0.096 4.352 4.340 0.179 0.000 0.208 340 L C 2.583 179.633 176.870 0.300 0.000 1.085 340 L CA 1.910 56.992 54.840 0.403 0.000 0.755 340 L CB -0.707 41.689 42.059 0.561 0.000 0.904 340 L HN 0.215 nan 8.230 nan 0.000 0.435 341 R N -0.541 120.123 120.500 0.274 0.000 2.083 341 R HA -0.180 4.267 4.340 0.179 0.000 0.237 341 R C 2.388 178.744 176.300 0.094 0.000 1.137 341 R CA 1.726 57.922 56.100 0.160 0.000 0.951 341 R CB -0.198 30.110 30.300 0.014 0.000 0.851 341 R HN 0.344 nan 8.270 nan 0.000 0.434 342 R N -0.582 119.956 120.500 0.063 0.000 2.096 342 R HA -0.077 4.370 4.340 0.179 0.000 0.235 342 R C 2.272 178.613 176.300 0.068 0.000 1.127 342 R CA 1.948 58.063 56.100 0.026 0.000 0.968 342 R CB -0.398 29.888 30.300 -0.023 0.000 0.861 342 R HN 0.317 nan 8.270 nan 0.000 0.440 343 T N 1.705 116.329 114.554 0.118 0.000 2.737 343 T HA -0.065 4.392 4.350 0.179 0.000 0.265 343 T C 1.923 176.820 174.700 0.327 0.000 1.038 343 T CA 1.058 63.278 62.100 0.201 0.000 1.144 343 T CB -0.123 68.889 68.868 0.240 0.000 0.866 343 T HN 0.132 nan 8.240 nan 0.000 0.434 344 L N 1.093 122.481 121.223 0.274 0.000 2.156 344 L HA -0.007 4.440 4.340 0.179 0.000 0.208 344 L C 2.373 179.461 176.870 0.363 0.000 1.095 344 L CA 0.613 55.641 54.840 0.313 0.000 0.770 344 L CB -0.611 41.484 42.059 0.059 0.000 0.914 344 L HN 0.165 nan 8.230 nan 0.000 0.439 345 N N 0.255 119.084 118.700 0.215 0.000 2.348 345 N HA -0.170 4.677 4.740 0.179 0.000 0.185 345 N C 1.507 177.052 175.510 0.060 0.000 1.019 345 N CA 0.985 54.113 53.050 0.130 0.000 0.880 345 N CB -0.064 38.456 38.487 0.054 0.000 0.965 345 N HN 0.418 nan 8.380 nan 0.000 0.437 346 E N -1.010 119.206 120.200 0.026 0.000 2.442 346 E HA 0.038 4.495 4.350 0.179 0.000 0.195 346 E C -0.016 176.311 176.600 -0.455 0.000 1.030 346 E CA 0.302 56.551 56.400 -0.251 0.000 0.869 346 E CB 0.097 29.555 29.700 -0.403 0.000 0.857 346 E HN 0.368 nan 8.360 nan 0.000 0.505 347 F N -0.138 119.909 119.950 0.162 0.000 2.835 347 F HA 0.346 4.981 4.527 0.179 0.000 0.342 347 F C 1.153 176.967 175.800 0.024 0.000 1.202 347 F CA -0.025 58.068 58.000 0.155 0.000 1.240 347 F CB 1.351 40.562 39.000 0.351 0.000 1.005 347 F HN 0.013 nan 8.300 nan 0.000 0.507 348 G N -0.633 108.211 108.800 0.073 0.000 2.159 348 G HA2 -0.285 3.782 3.960 0.179 0.000 0.227 348 G HA3 -0.285 3.782 3.960 0.179 0.000 0.227 348 G C -0.352 174.421 174.900 -0.211 0.000 0.986 348 G CA -0.611 44.411 45.100 -0.129 0.000 0.651 348 G HN 0.289 nan 8.290 nan 0.000 0.523 349 Y N 2.220 122.542 120.300 0.037 0.000 2.328 349 Y HA 0.564 5.222 4.550 0.179 0.000 0.337 349 Y C 1.203 177.125 175.900 0.038 0.000 1.008 349 Y CA -0.096 58.032 58.100 0.047 0.000 1.129 349 Y CB 1.499 40.012 38.460 0.090 0.000 1.185 349 Y HN 0.363 nan 8.280 nan 0.000 0.476 350 S N 0.721 116.507 115.700 0.143 0.000 2.617 350 S HA 0.046 4.623 4.470 0.179 0.000 0.259 350 S C 0.652 175.325 174.600 0.121 0.000 1.301 350 S CA -0.478 57.779 58.200 0.094 0.000 0.984 350 S CB 0.753 63.985 63.200 0.053 0.000 0.954 350 S HN 0.668 nan 8.310 nan 0.000 0.572 351 D N 0.347 120.784 120.400 0.062 0.000 2.183 351 D HA -0.037 4.710 4.640 0.179 0.000 0.203 351 D C 1.788 178.150 176.300 0.103 0.000 0.969 351 D CA 1.182 55.204 54.000 0.037 0.000 0.842 351 D CB -0.396 40.379 40.800 -0.042 0.000 0.957 351 D HN 0.731 nan 8.370 nan 0.000 0.484 352 E N 1.295 121.555 120.200 0.099 0.000 2.077 352 E HA -0.166 4.291 4.350 0.179 0.000 0.193 352 E C 1.730 178.423 176.600 0.154 0.000 0.989 352 E CA 1.162 57.630 56.400 0.112 0.000 0.800 352 E CB -0.012 29.726 29.700 0.064 0.000 0.746 352 E HN 0.330 nan 8.360 nan 0.000 0.452 353 E N -0.740 119.569 120.200 0.181 0.000 2.106 353 E HA -0.111 4.346 4.350 0.179 0.000 0.192 353 E C 2.117 178.913 176.600 0.326 0.000 0.984 353 E CA 1.050 57.608 56.400 0.263 0.000 0.806 353 E CB 0.079 29.972 29.700 0.322 0.000 0.750 353 E HN 0.106 nan 8.360 nan 0.000 0.458 354 V N 1.654 121.745 119.914 0.295 0.000 2.295 354 V HA -0.292 3.936 4.120 0.179 0.000 0.246 354 V C 2.095 178.403 176.094 0.356 0.000 1.049 354 V CA 1.835 64.322 62.300 0.312 0.000 1.024 354 V CB -0.367 31.608 31.823 0.252 0.000 0.648 354 V HN 0.187 nan 8.190 nan 0.000 0.447 355 K N -0.279 120.313 120.400 0.320 0.000 2.097 355 K HA -0.196 4.232 4.320 0.179 0.000 0.206 355 K C 2.119 178.873 176.600 0.258 0.000 1.049 355 K CA 1.645 58.113 56.287 0.303 0.000 0.933 355 K CB -0.175 32.504 32.500 0.298 0.000 0.717 355 K HN 0.580 nan 8.250 nan 0.000 0.442 356 E N -0.161 120.206 120.200 0.277 0.000 2.150 356 E HA -0.166 4.291 4.350 0.179 0.000 0.193 356 E C 1.752 178.592 176.600 0.400 0.000 0.985 356 E CA 0.685 57.285 56.400 0.333 0.000 0.814 356 E CB -0.079 29.780 29.700 0.265 0.000 0.752 356 E HN 0.200 nan 8.360 nan 0.000 0.466 357 F N 1.963 122.041 119.950 0.213 0.000 2.060 357 F HA -0.024 4.611 4.527 0.180 0.000 0.295 357 F C 1.072 176.964 175.800 0.153 0.000 1.120 357 F CA 0.673 58.804 58.000 0.219 0.000 1.205 357 F CB -0.138 38.978 39.000 0.193 0.000 0.986 357 F HN -0.241 nan 8.300 nan 0.000 0.470 358 I N 1.619 122.096 120.570 -0.155 0.000 2.710 358 I HA -0.005 4.272 4.170 0.179 0.000 0.286 358 I C 1.059 176.875 176.117 -0.501 0.000 1.181 358 I CA -0.029 60.784 61.300 -0.811 0.000 1.430 358 I CB 0.277 37.992 38.000 -0.476 0.000 1.367 358 I HN 0.198 nan 8.210 nan 0.000 0.577 359 S N 4.660 119.958 115.700 -0.670 0.000 2.633 359 S HA 0.373 4.950 4.470 0.179 0.000 0.257 359 S C 0.489 174.908 174.600 -0.302 0.000 1.265 359 S CA -0.449 57.571 58.200 -0.300 0.000 0.980 359 S CB 0.766 63.855 63.200 -0.185 0.000 1.017 359 S HN 0.769 nan 8.310 nan 0.000 0.577 360 G N -0.131 108.526 108.800 -0.238 0.000 2.588 360 G HA2 0.448 4.515 3.960 0.179 0.000 0.278 360 G HA3 0.448 4.515 3.960 0.179 0.000 0.278 360 G C -1.725 172.693 174.900 -0.803 0.000 1.307 360 G CA -1.301 43.592 45.100 -0.344 0.000 1.016 360 G HN 0.595 nan 8.290 nan 0.000 0.503 361 P HA 0.048 nan 4.420 nan 0.000 0.233 361 P C 1.107 177.864 177.300 -0.906 0.000 1.167 361 P CA 1.093 63.525 63.100 -1.114 0.000 0.770 361 P CB 0.398 31.535 31.700 -0.938 0.000 0.837 362 A N -1.770 120.634 122.820 -0.694 0.000 2.275 362 A HA 0.103 4.530 4.320 0.179 0.000 0.212 362 A C 0.757 177.785 177.584 -0.927 0.000 1.201 362 A CA 0.251 51.819 52.037 -0.781 0.000 0.843 362 A CB -0.808 17.790 19.000 -0.670 0.000 0.873 362 A HN 0.110 nan 8.150 nan 0.000 0.492 363 Y N -2.968 117.074 120.300 -0.429 0.000 2.626 363 Y HA 0.258 4.914 4.550 0.177 0.000 0.248 363 Y C 0.950 176.815 175.900 -0.059 0.000 1.147 363 Y CA -0.832 57.221 58.100 -0.079 0.000 1.219 363 Y CB 0.069 38.511 38.460 -0.029 0.000 1.279 363 Y HN 0.277 nan 8.280 nan 0.000 0.541 364 F N 0.245 120.205 119.950 0.017 0.000 2.269 364 F HA -0.156 4.479 4.527 0.181 0.000 0.301 364 F C 2.355 178.172 175.800 0.029 0.000 1.082 364 F CA 0.836 58.888 58.000 0.086 0.000 1.360 364 F CB -0.997 38.141 39.000 0.230 0.000 1.041 364 F HN 0.123 nan 8.300 nan 0.000 0.512 365 A N 0.121 122.817 122.820 -0.208 0.000 1.883 365 A HA -0.200 4.227 4.320 0.179 0.000 0.217 365 A C 2.038 179.219 177.584 -0.671 0.000 1.186 365 A CA 1.695 53.378 52.037 -0.591 0.000 0.624 365 A CB -1.192 16.936 19.000 -1.453 0.000 0.822 365 A HN 0.537 nan 8.150 nan 0.000 0.444 366 W N -2.228 119.047 121.300 -0.041 0.000 2.770 366 W HA 0.095 4.864 4.660 0.181 0.000 0.256 366 W C 1.891 178.239 176.519 -0.285 0.000 1.291 366 W CA 0.114 57.299 57.345 -0.267 0.000 1.396 366 W CB -0.843 28.468 29.460 -0.248 0.000 1.114 366 W HN 0.472 nan 8.180 nan 0.000 0.637 367 F N 0.415 120.266 119.950 -0.166 0.000 2.149 367 F HA -0.166 4.467 4.527 0.178 0.000 0.294 367 F C 2.059 177.561 175.800 -0.497 0.000 1.095 367 F CA 1.509 59.297 58.000 -0.353 0.000 1.276 367 F CB -0.856 37.921 39.000 -0.372 0.000 1.023 367 F HN -0.296 nan 8.300 nan 0.000 0.480 368 Y N -0.267 119.914 120.300 -0.198 0.000 2.509 368 Y HA -0.022 4.635 4.550 0.178 0.000 0.293 368 Y C 1.995 177.502 175.900 -0.655 0.000 1.133 368 Y CA 0.790 58.661 58.100 -0.381 0.000 1.283 368 Y CB -0.761 37.654 38.460 -0.074 0.000 1.001 368 Y HN 0.089 nan 8.280 nan 0.000 0.555 369 M N -0.178 119.051 119.600 -0.619 0.000 2.494 369 M HA -0.013 4.574 4.480 0.179 0.000 0.232 369 M C -0.041 175.967 176.300 -0.486 0.000 1.137 369 M CA 0.610 55.489 55.300 -0.701 0.000 1.012 369 M CB -0.015 32.086 32.600 -0.831 0.000 1.567 369 M HN 0.254 nan 8.290 nan 0.000 0.486 370 Q N -0.803 118.709 119.800 -0.480 0.000 2.502 370 Q HA -0.210 4.237 4.340 0.179 0.000 0.273 370 Q C 0.182 175.994 176.000 -0.312 0.000 1.127 370 Q CA 0.428 55.993 55.803 -0.396 0.000 0.952 370 Q CB -1.965 26.564 28.738 -0.348 0.000 1.333 370 Q HN 0.545 nan 8.270 nan 0.000 0.494 371 N N -0.159 118.300 118.700 -0.401 0.000 2.454 371 N HA 0.186 5.033 4.740 0.179 0.000 0.177 371 N C 0.777 176.170 175.510 -0.196 0.000 1.049 371 N CA 1.409 54.150 53.050 -0.517 0.000 0.887 371 N CB 0.460 38.120 38.487 -1.379 0.000 1.095 371 N HN 0.579 nan 8.380 nan 0.000 0.446 372 M N -1.132 118.368 119.600 -0.166 0.000 2.603 372 M HA 0.474 5.061 4.480 0.179 0.000 0.275 372 M C -1.360 174.945 176.300 0.009 0.000 1.226 372 M CA -0.749 54.508 55.300 -0.072 0.000 0.870 372 M CB 2.524 34.871 32.600 -0.421 0.000 1.716 372 M HN -0.096 nan 8.290 nan 0.000 0.482 373 T N -1.922 112.686 114.554 0.091 0.000 2.887 373 T HA 0.792 5.249 4.350 0.179 0.000 0.292 373 T C 0.803 175.583 174.700 0.134 0.000 1.087 373 T CA 0.130 62.303 62.100 0.121 0.000 1.009 373 T CB 1.493 70.459 68.868 0.162 0.000 1.203 373 T HN 1.965 nan 8.240 nan 0.000 0.518 374 G N 0.988 109.839 108.800 0.086 0.000 2.746 374 G HA2 -0.320 3.748 3.960 0.179 0.000 0.236 374 G HA3 -0.320 3.748 3.960 0.179 0.000 0.236 374 G C 0.135 175.073 174.900 0.063 0.000 1.172 374 G CA 0.564 45.744 45.100 0.133 0.000 0.736 374 G HN 1.145 nan 8.290 nan 0.000 0.519 375 F N 2.748 122.655 119.950 -0.072 0.000 2.602 375 F HA 0.373 5.007 4.527 0.178 0.000 0.385 375 F C 1.612 177.292 175.800 -0.199 0.000 1.063 375 F CA 1.873 59.805 58.000 -0.114 0.000 1.233 375 F CB 0.585 39.554 39.000 -0.053 0.000 1.067 375 F HN 1.289 nan 8.300 nan 0.000 0.564 376 G N 3.361 111.815 108.800 -0.577 0.000 2.213 376 G HA2 -0.194 3.873 3.960 0.179 0.000 0.236 376 G HA3 -0.194 3.873 3.960 0.179 0.000 0.236 376 G C 0.466 175.324 174.900 -0.071 0.000 0.991 376 G CA -0.099 44.874 45.100 -0.211 0.000 0.629 376 G HN 1.240 nan 8.290 nan 0.000 0.517 377 G N 0.203 108.994 108.800 -0.015 0.000 2.537 377 G HA2 0.737 4.804 3.960 0.179 0.000 0.297 377 G HA3 0.737 4.804 3.960 0.179 0.000 0.297 377 G C -2.351 172.758 174.900 0.349 0.000 1.310 377 G CA -0.543 44.632 45.100 0.125 0.000 1.027 377 G HN 0.297 nan 8.290 nan 0.000 0.505 378 P HA 0.329 nan 4.420 nan 0.000 0.286 378 P C -0.424 176.984 177.300 0.180 0.000 1.261 378 P CA -0.799 62.456 63.100 0.258 0.000 0.821 378 P CB 1.255 33.115 31.700 0.267 0.000 1.013 379 L N 4.074 125.340 121.223 0.072 0.000 2.499 379 L HA 0.175 4.622 4.340 0.179 0.000 0.281 379 L C -1.638 175.328 176.870 0.159 0.000 1.234 379 L CA -1.280 53.561 54.840 0.002 0.000 0.839 379 L CB -1.397 40.444 42.059 -0.364 0.000 1.104 379 L HN 0.379 nan 8.230 nan 0.000 0.500 380 P HA 0.125 nan 4.420 nan 0.000 0.274 380 P C -0.030 177.473 177.300 0.339 0.000 1.246 380 P CA -0.402 62.833 63.100 0.226 0.000 0.795 380 P CB 0.602 32.405 31.700 0.171 0.000 1.006 381 N N 0.770 119.666 118.700 0.327 0.000 2.223 381 N HA -0.132 4.715 4.740 0.179 0.000 0.185 381 N C 1.059 176.839 175.510 0.449 0.000 1.016 381 N CA 1.224 54.526 53.050 0.420 0.000 0.863 381 N CB -0.780 37.863 38.487 0.259 0.000 0.983 381 N HN 0.443 nan 8.380 nan 0.000 0.429 382 D N 0.016 120.606 120.400 0.317 0.000 2.309 382 D HA -0.148 4.599 4.640 0.179 0.000 0.212 382 D C 1.550 178.019 176.300 0.280 0.000 0.968 382 D CA 0.187 54.343 54.000 0.259 0.000 0.882 382 D CB -0.166 40.746 40.800 0.187 0.000 0.918 382 D HN 0.401 nan 8.370 nan 0.000 0.503 383 W N 0.353 121.723 121.300 0.117 0.000 2.335 383 W HA -0.273 4.495 4.660 0.179 0.000 0.311 383 W C 1.365 177.852 176.519 -0.052 0.000 1.213 383 W CA 1.010 58.341 57.345 -0.024 0.000 1.274 383 W CB -0.613 28.715 29.460 -0.220 0.000 1.148 383 W HN -0.013 nan 8.180 nan 0.000 0.498 384 F N 1.642 121.727 119.950 0.225 0.000 2.051 384 F HA -0.254 4.381 4.527 0.180 0.000 0.296 384 F C 2.688 178.476 175.800 -0.020 0.000 1.122 384 F CA 2.363 60.430 58.000 0.112 0.000 1.201 384 F CB -1.320 37.779 39.000 0.165 0.000 0.978 384 F HN -0.007 nan 8.300 nan 0.000 0.472 385 E N 0.600 120.923 120.200 0.205 0.000 2.097 385 E HA -0.300 4.157 4.350 0.179 0.000 0.196 385 E C 1.909 178.509 176.600 0.000 0.000 1.000 385 E CA 1.771 58.223 56.400 0.086 0.000 0.804 385 E CB -0.865 28.892 29.700 0.096 0.000 0.740 385 E HN 0.582 nan 8.360 nan 0.000 0.454 386 Q N -0.206 119.563 119.800 -0.051 0.000 2.123 386 Q HA -0.019 4.428 4.340 0.179 0.000 0.199 386 Q C 2.326 178.197 176.000 -0.215 0.000 0.966 386 Q CA 0.781 56.517 55.803 -0.111 0.000 0.845 386 Q CB 0.073 28.741 28.738 -0.117 0.000 0.907 386 Q HN 0.205 nan 8.270 nan 0.000 0.439 387 R N 0.257 120.542 120.500 -0.359 0.000 2.100 387 R HA 0.090 4.538 4.340 0.179 0.000 0.220 387 R C 2.094 178.290 176.300 -0.173 0.000 1.091 387 R CA 0.997 56.857 56.100 -0.400 0.000 0.986 387 R CB -0.732 29.143 30.300 -0.709 0.000 0.888 387 R HN 0.202 nan 8.270 nan 0.000 0.444 388 A N 1.337 124.098 122.820 -0.098 0.000 1.908 388 A HA -0.220 4.207 4.320 0.179 0.000 0.218 388 A C 2.142 179.697 177.584 -0.048 0.000 1.181 388 A CA 1.822 53.831 52.037 -0.046 0.000 0.627 388 A CB -0.341 18.589 19.000 -0.116 0.000 0.818 388 A HN 0.240 nan 8.150 nan 0.000 0.445 389 E N -0.384 119.766 120.200 -0.084 0.000 2.077 389 E HA -0.155 4.302 4.350 0.179 0.000 0.193 389 E C 1.801 178.254 176.600 -0.246 0.000 0.989 389 E CA 1.241 57.577 56.400 -0.107 0.000 0.800 389 E CB -0.383 29.312 29.700 -0.008 0.000 0.746 389 E HN 0.437 nan 8.360 nan 0.000 0.452 390 L N -0.269 120.824 121.223 -0.217 0.000 2.083 390 L HA 0.045 4.492 4.340 0.179 0.000 0.209 390 L C 2.114 178.756 176.870 -0.381 0.000 1.083 390 L CA 2.360 57.043 54.840 -0.261 0.000 0.752 390 L CB -0.955 40.998 42.059 -0.177 0.000 0.899 390 L HN 0.223 nan 8.230 nan 0.000 0.433 391 G N -1.036 107.545 108.800 -0.365 0.000 2.408 391 G HA2 -0.210 3.857 3.960 0.179 0.000 0.217 391 G HA3 -0.210 3.857 3.960 0.179 0.000 0.217 391 G C 1.743 176.083 174.900 -0.933 0.000 1.150 391 G CA 0.604 45.336 45.100 -0.613 0.000 0.776 391 G HN 0.367 nan 8.290 nan 0.000 0.542 392 R N 0.209 120.375 120.500 -0.555 0.000 2.073 392 R HA -0.031 4.416 4.340 0.179 0.000 0.234 392 R C 2.509 178.135 176.300 -1.124 0.000 1.134 392 R CA 1.560 57.250 56.100 -0.683 0.000 0.952 392 R CB -0.230 29.603 30.300 -0.779 0.000 0.850 392 R HN 0.349 nan 8.270 nan 0.000 0.433 393 K N 0.713 120.368 120.400 -1.242 0.000 2.032 393 K HA -0.150 4.278 4.320 0.179 0.000 0.209 393 K C 2.079 178.301 176.600 -0.630 0.000 1.048 393 K CA 1.585 57.189 56.287 -1.138 0.000 0.927 393 K CB -0.087 31.849 32.500 -0.940 0.000 0.712 393 K HN 0.070 nan 8.250 nan 0.000 0.441 394 M N -0.060 119.281 119.600 -0.432 0.000 2.159 394 M HA -0.179 4.409 4.480 0.179 0.000 0.263 394 M C 1.643 177.928 176.300 -0.025 0.000 1.063 394 M CA 1.824 57.096 55.300 -0.048 0.000 1.110 394 M CB -0.215 32.333 32.600 -0.086 0.000 1.374 394 M HN 0.406 nan 8.290 nan 0.000 0.411 395 H N -1.681 117.311 119.070 -0.131 0.000 2.462 395 H HA -0.146 4.517 4.556 0.178 0.000 0.292 395 H C 1.667 177.026 175.328 0.052 0.000 1.049 395 H CA 1.198 57.220 56.048 -0.043 0.000 1.334 395 H CB -0.035 29.676 29.762 -0.085 0.000 1.404 395 H HN 0.506 nan 8.280 nan 0.000 0.544 396 D N 0.840 121.301 120.400 0.101 0.000 2.097 396 D HA -0.176 4.571 4.640 0.179 0.000 0.195 396 D C 2.355 178.616 176.300 -0.065 0.000 0.989 396 D CA 1.021 55.074 54.000 0.087 0.000 0.827 396 D CB 0.168 41.106 40.800 0.230 0.000 0.966 396 D HN 0.024 nan 8.370 nan 0.000 0.456 397 R N -0.260 120.219 120.500 -0.034 0.000 2.066 397 R HA 0.009 4.456 4.340 0.179 0.000 0.232 397 R C 2.349 178.478 176.300 -0.284 0.000 1.131 397 R CA 1.499 57.511 56.100 -0.148 0.000 0.955 397 R CB -0.420 29.945 30.300 0.109 0.000 0.851 397 R HN 0.289 nan 8.270 nan 0.000 0.432 398 M N 0.070 119.648 119.600 -0.038 0.000 2.108 398 M HA -0.250 4.338 4.480 0.179 0.000 0.261 398 M C 2.450 178.717 176.300 -0.055 0.000 1.066 398 M CA 2.042 57.368 55.300 0.044 0.000 1.107 398 M CB -0.385 32.287 32.600 0.120 0.000 1.356 398 M HN 0.321 nan 8.290 nan 0.000 0.406 399 Q N 0.071 119.766 119.800 -0.174 0.000 2.096 399 Q HA -0.178 4.269 4.340 0.179 0.000 0.204 399 Q C 1.962 177.620 176.000 -0.570 0.000 0.982 399 Q CA 2.107 57.653 55.803 -0.429 0.000 0.850 399 Q CB 0.060 28.347 28.738 -0.751 0.000 0.901 399 Q HN 0.473 nan 8.270 nan 0.000 0.422 400 S N 0.188 115.580 115.700 -0.514 0.000 2.368 400 S HA -0.116 4.461 4.470 0.179 0.000 0.225 400 S C 1.486 176.070 174.600 -0.028 0.000 1.030 400 S CA 1.165 59.204 58.200 -0.269 0.000 0.999 400 S CB -0.292 62.712 63.200 -0.328 0.000 0.844 400 S HN 0.359 nan 8.310 nan 0.000 0.459 401 F N 0.961 120.891 119.950 -0.033 0.000 2.259 401 F HA 0.229 4.863 4.527 0.178 0.000 0.298 401 F C 2.152 177.955 175.800 0.005 0.000 1.088 401 F CA 0.244 58.232 58.000 -0.020 0.000 1.358 401 F CB -1.078 37.902 39.000 -0.035 0.000 1.040 401 F HN 0.357 nan 8.300 nan 0.000 0.505 402 G N 0.777 109.683 108.800 0.176 0.000 2.142 402 G HA2 -0.274 3.793 3.960 0.179 0.000 0.225 402 G HA3 -0.274 3.793 3.960 0.179 0.000 0.225 402 G C 0.121 175.087 174.900 0.110 0.000 1.015 402 G CA -0.176 45.003 45.100 0.131 0.000 0.716 402 G HN 0.280 nan 8.290 nan 0.000 0.508 403 I N 1.336 121.979 120.570 0.122 0.000 2.352 403 I HA 0.178 4.455 4.170 0.179 0.000 0.290 403 I C 0.107 176.256 176.117 0.053 0.000 1.036 403 I CA -0.768 60.580 61.300 0.080 0.000 1.336 403 I CB 0.630 38.695 38.000 0.109 0.000 1.407 403 I HN 0.031 nan 8.210 nan 0.000 0.497 404 N N 9.044 127.755 118.700 0.019 0.000 2.430 404 N HA 0.243 5.090 4.740 0.179 0.000 0.265 404 N C -2.351 173.138 175.510 -0.034 0.000 1.100 404 N CA -1.109 51.943 53.050 0.004 0.000 0.961 404 N CB 0.873 39.340 38.487 -0.032 0.000 1.075 404 N HN 0.312 nan 8.380 nan 0.000 0.478 405 P HA 0.124 nan 4.420 nan 0.000 0.276 405 P C -0.452 176.802 177.300 -0.076 0.000 1.244 405 P CA -0.372 62.688 63.100 -0.067 0.000 0.801 405 P CB 1.082 32.688 31.700 -0.156 0.000 1.006 406 V N 3.517 123.403 119.914 -0.046 0.000 2.294 406 V HA 0.189 4.417 4.120 0.179 0.000 0.272 406 V C 0.935 176.994 176.094 -0.058 0.000 1.027 406 V CA -0.393 61.903 62.300 -0.006 0.000 0.823 406 V CB 0.358 32.240 31.823 0.099 0.000 1.030 406 V HN 0.420 nan 8.190 nan 0.000 0.457 407 L N 2.587 123.741 121.223 -0.116 0.000 2.600 407 L HA 0.437 4.884 4.340 0.179 0.000 0.221 407 L C 0.532 177.506 176.870 0.174 0.000 1.197 407 L CA -0.732 54.084 54.840 -0.041 0.000 0.838 407 L CB 0.465 42.487 42.059 -0.061 0.000 1.474 407 L HN 0.467 nan 8.230 nan 0.000 0.514 408 Q N 0.378 120.348 119.800 0.284 0.000 2.261 408 Q HA 0.330 4.777 4.340 0.179 0.000 0.252 408 Q C -0.063 176.255 176.000 0.530 0.000 0.915 408 Q CA -0.162 55.867 55.803 0.376 0.000 0.915 408 Q CB 1.682 30.667 28.738 0.412 0.000 1.204 408 Q HN 0.739 nan 8.270 nan 0.000 0.421 409 G N 0.920 109.933 108.800 0.354 0.000 2.535 409 G HA2 0.376 4.443 3.960 0.179 0.000 0.303 409 G HA3 0.376 4.443 3.960 0.179 0.000 0.303 409 G C -1.575 173.264 174.900 -0.102 0.000 1.237 409 G CA -0.200 45.037 45.100 0.228 0.000 0.986 409 G HN 0.506 nan 8.290 nan 0.000 0.494 410 Y N -0.310 119.750 120.300 -0.399 0.000 2.391 410 Y HA 0.445 5.102 4.550 0.179 0.000 0.341 410 Y C 0.818 176.562 175.900 -0.260 0.000 0.965 410 Y CA -0.561 57.184 58.100 -0.591 0.000 1.067 410 Y CB 2.414 40.328 38.460 -0.910 0.000 1.199 410 Y HN 0.515 nan 8.280 nan 0.000 0.450 411 S N 1.597 116.769 115.700 -0.881 0.000 2.666 411 S HA 0.438 5.015 4.470 0.179 0.000 0.239 411 S C 0.953 175.180 174.600 -0.622 0.000 1.031 411 S CA 0.187 58.043 58.200 -0.573 0.000 1.015 411 S CB 0.672 63.556 63.200 -0.526 0.000 0.981 411 S HN 1.625 nan 8.310 nan 0.000 0.547 412 G N 1.649 109.789 108.800 -1.100 0.000 2.183 412 G HA2 -0.168 3.899 3.960 0.179 0.000 0.168 412 G HA3 -0.168 3.899 3.960 0.179 0.000 0.168 412 G C -0.124 174.471 174.900 -0.508 0.000 1.008 412 G CA -0.155 44.633 45.100 -0.521 0.000 0.677 412 G HN 0.506 nan 8.290 nan 0.000 0.498 413 M N 1.821 121.002 119.600 -0.697 0.000 2.246 413 M HA 0.483 5.070 4.480 0.179 0.000 0.350 413 M C 0.414 176.593 176.300 -0.202 0.000 1.406 413 M CA 0.266 55.338 55.300 -0.379 0.000 1.089 413 M CB 0.672 33.038 32.600 -0.389 0.000 1.782 413 M HN 0.670 nan 8.290 nan 0.000 0.457 414 V N 3.238 123.036 119.914 -0.192 0.000 3.147 414 V HA 0.718 4.945 4.120 0.179 0.000 0.306 414 V C -2.926 173.035 176.094 -0.221 0.000 1.209 414 V CA -2.144 59.984 62.300 -0.288 0.000 1.023 414 V CB 1.384 32.847 31.823 -0.601 0.000 1.059 414 V HN 0.675 nan 8.190 nan 0.000 0.435 415 P HA 0.342 nan 4.420 nan 0.000 0.271 415 P C 0.379 177.711 177.300 0.053 0.000 1.233 415 P CA -0.134 62.755 63.100 -0.352 0.000 0.789 415 P CB 0.458 31.840 31.700 -0.530 0.000 0.951 416 R N 1.126 121.708 120.500 0.136 0.000 2.237 416 R HA -0.082 4.365 4.340 0.179 0.000 0.219 416 R C 0.693 177.079 176.300 0.143 0.000 1.080 416 R CA 1.259 57.444 56.100 0.142 0.000 0.995 416 R CB -0.398 29.994 30.300 0.152 0.000 0.875 416 R HN 0.614 nan 8.270 nan 0.000 0.462 417 D N -0.736 119.766 120.400 0.171 0.000 2.427 417 D HA -0.072 4.675 4.640 0.179 0.000 0.224 417 D C 1.024 177.402 176.300 0.129 0.000 1.157 417 D CA -0.338 53.739 54.000 0.128 0.000 0.828 417 D CB -0.334 40.528 40.800 0.103 0.000 0.974 417 D HN 0.069 nan 8.370 nan 0.000 0.498 418 F N 1.919 121.907 119.950 0.065 0.000 2.102 418 F HA -0.041 4.593 4.527 0.179 0.000 0.298 418 F C 2.023 177.798 175.800 -0.042 0.000 1.105 418 F CA 1.392 59.431 58.000 0.064 0.000 1.239 418 F CB 0.182 39.197 39.000 0.025 0.000 0.991 418 F HN -0.168 nan 8.300 nan 0.000 0.474 419 K N 0.159 120.599 120.400 0.066 0.000 2.057 419 K HA -0.195 4.232 4.320 0.179 0.000 0.207 419 K C 1.939 178.464 176.600 -0.125 0.000 1.049 419 K CA 1.777 58.029 56.287 -0.057 0.000 0.931 419 K CB -0.319 32.184 32.500 0.005 0.000 0.714 419 K HN 0.386 nan 8.250 nan 0.000 0.440 420 E N 0.874 121.021 120.200 -0.088 0.000 2.065 420 E HA -0.242 4.215 4.350 0.179 0.000 0.201 420 E C 1.791 178.289 176.600 -0.171 0.000 1.016 420 E CA 1.668 58.006 56.400 -0.103 0.000 0.818 420 E CB -0.015 29.638 29.700 -0.078 0.000 0.749 420 E HN 0.247 nan 8.360 nan 0.000 0.453 421 K N -0.195 120.044 120.400 -0.268 0.000 2.365 421 K HA 0.065 4.492 4.320 0.179 0.000 0.197 421 K C 0.198 176.586 176.600 -0.354 0.000 1.042 421 K CA 0.358 56.439 56.287 -0.343 0.000 0.987 421 K CB 0.314 32.495 32.500 -0.531 0.000 0.779 421 K HN 0.064 nan 8.250 nan 0.000 0.484 422 N N 1.206 119.647 118.700 -0.432 0.000 2.725 422 N HA 0.070 4.917 4.740 0.179 0.000 0.248 422 N C -0.188 175.104 175.510 -0.363 0.000 1.402 422 N CA -0.025 52.758 53.050 -0.444 0.000 0.766 422 N CB 1.466 39.457 38.487 -0.827 0.000 1.223 422 N HN 0.081 nan 8.380 nan 0.000 0.515 423 Q N 0.545 120.230 119.800 -0.192 0.000 2.170 423 Q HA -0.119 4.329 4.340 0.179 0.000 0.203 423 Q C 0.740 176.683 176.000 -0.095 0.000 0.976 423 Q CA 1.391 57.124 55.803 -0.118 0.000 0.858 423 Q CB 0.200 28.900 28.738 -0.063 0.000 0.907 423 Q HN 0.519 nan 8.270 nan 0.000 0.433 424 E N 0.252 120.405 120.200 -0.080 0.000 2.478 424 E HA 0.045 4.502 4.350 0.179 0.000 0.198 424 E C 0.037 176.604 176.600 -0.055 0.000 1.046 424 E CA -0.117 56.291 56.400 0.012 0.000 0.870 424 E CB 0.175 29.988 29.700 0.187 0.000 0.818 424 E HN 0.213 nan 8.360 nan 0.000 0.527 425 A N 1.603 124.209 122.820 -0.356 0.000 2.477 425 A HA 0.050 4.477 4.320 0.179 0.000 0.246 425 A C 0.105 177.670 177.584 -0.032 0.000 1.078 425 A CA -0.051 51.796 52.037 -0.317 0.000 0.770 425 A CB 0.379 19.180 19.000 -0.332 0.000 1.011 425 A HN 0.000 nan 8.150 nan 0.000 0.494 426 Q N 1.370 121.197 119.800 0.046 0.000 2.307 426 Q HA 0.513 4.960 4.340 0.179 0.000 0.262 426 Q C -0.220 175.790 176.000 0.017 0.000 0.961 426 Q CA -0.208 55.616 55.803 0.034 0.000 0.882 426 Q CB 1.811 30.573 28.738 0.039 0.000 1.264 426 Q HN 0.900 nan 8.270 nan 0.000 0.446 427 T N -1.006 113.552 114.554 0.007 0.000 2.901 427 T HA 0.788 5.245 4.350 0.179 0.000 0.293 427 T C -0.125 174.570 174.700 -0.009 0.000 1.084 427 T CA -0.740 61.354 62.100 -0.010 0.000 1.008 427 T CB 1.121 69.992 68.868 0.005 0.000 1.170 427 T HN 0.415 nan 8.240 nan 0.000 0.509 428 I N 1.759 122.321 120.570 -0.014 0.000 2.411 428 I HA 0.357 4.634 4.170 0.179 0.000 0.284 428 I C 0.443 176.572 176.117 0.021 0.000 1.012 428 I CA -0.847 60.456 61.300 0.005 0.000 1.119 428 I CB 1.890 39.898 38.000 0.012 0.000 1.261 428 I HN 0.744 nan 8.210 nan 0.000 0.448 429 S N 4.350 120.069 115.700 0.032 0.000 2.537 429 S HA 0.062 4.640 4.470 0.179 0.000 0.286 429 S C 0.877 175.513 174.600 0.061 0.000 1.299 429 S CA -0.039 58.189 58.200 0.047 0.000 1.067 429 S CB 0.529 63.757 63.200 0.047 0.000 0.864 429 S HN 0.522 nan 8.310 nan 0.000 0.494 430 Q N 3.094 122.936 119.800 0.071 0.000 2.282 430 Q HA 0.241 4.688 4.340 0.179 0.000 0.206 430 Q C 1.291 177.355 176.000 0.107 0.000 0.878 430 Q CA 0.610 56.469 55.803 0.092 0.000 0.944 430 Q CB 0.217 28.999 28.738 0.073 0.000 1.100 430 Q HN 1.060 nan 8.270 nan 0.000 0.509 431 G N 0.279 109.138 108.800 0.097 0.000 2.593 431 G HA2 -0.193 3.874 3.960 0.179 0.000 0.237 431 G HA3 -0.193 3.874 3.960 0.179 0.000 0.237 431 G C 0.092 175.072 174.900 0.133 0.000 1.312 431 G CA -0.524 44.636 45.100 0.100 0.000 0.896 431 G HN 0.481 nan 8.290 nan 0.000 0.574 432 G N -1.657 107.223 108.800 0.133 0.000 2.434 432 G HA2 0.587 4.654 3.960 0.179 0.000 0.330 432 G HA3 0.587 4.654 3.960 0.179 0.000 0.330 432 G C -1.211 173.843 174.900 0.258 0.000 1.155 432 G CA 0.257 45.459 45.100 0.171 0.000 0.917 432 G HN 1.470 nan 8.290 nan 0.000 0.493 433 W N 1.531 122.888 121.300 0.094 0.000 2.687 433 W HA 0.426 5.194 4.660 0.181 0.000 0.328 433 W C 0.066 176.649 176.519 0.106 0.000 1.012 433 W CA -0.890 56.506 57.345 0.085 0.000 1.262 433 W CB 0.712 30.226 29.460 0.090 0.000 1.331 433 W HN 0.851 nan 8.180 nan 0.000 0.433 434 C N 5.481 124.495 119.300 -0.477 0.000 4.114 434 C HA -0.026 4.542 4.460 0.179 0.000 0.300 434 C C 1.811 176.572 174.990 -0.381 0.000 1.423 434 C CA 1.658 60.341 59.018 -0.558 0.000 2.034 434 C CB -2.189 24.901 27.740 -1.083 0.000 1.299 434 C HN 1.849 nan 8.230 nan 0.000 0.727 435 G N -1.927 106.727 108.800 -0.244 0.000 2.205 435 G HA2 -0.297 3.770 3.960 0.179 0.000 0.261 435 G HA3 -0.297 3.770 3.960 0.179 0.000 0.261 435 G C -0.069 174.669 174.900 -0.270 0.000 0.980 435 G CA 0.412 45.339 45.100 -0.289 0.000 0.632 435 G HN 0.698 nan 8.290 nan 0.000 0.533 436 F N 1.699 121.665 119.950 0.026 0.000 2.375 436 F HA 0.507 5.140 4.527 0.176 0.000 0.333 436 F C 0.483 176.370 175.800 0.144 0.000 1.104 436 F CA -0.897 57.173 58.000 0.117 0.000 1.149 436 F CB 0.811 39.953 39.000 0.237 0.000 1.190 436 F HN -0.136 nan 8.300 nan 0.000 0.533 437 D N 2.743 123.344 120.400 0.334 0.000 2.339 437 D HA 0.157 4.904 4.640 0.179 0.000 0.256 437 D C 0.237 176.687 176.300 0.250 0.000 1.214 437 D CA -0.110 54.037 54.000 0.244 0.000 0.877 437 D CB 0.492 41.415 40.800 0.205 0.000 1.111 437 D HN 0.307 nan 8.370 nan 0.000 0.478 438 R N 3.413 124.040 120.500 0.210 0.000 2.643 438 R HA 0.189 4.636 4.340 0.179 0.000 0.270 438 R C -1.907 174.469 176.300 0.128 0.000 1.061 438 R CA -1.144 55.043 56.100 0.146 0.000 1.107 438 R CB 0.201 30.573 30.300 0.120 0.000 0.999 438 R HN 0.285 nan 8.270 nan 0.000 0.460 439 P HA -0.037 nan 4.420 nan 0.000 0.271 439 P C -0.696 176.639 177.300 0.058 0.000 1.233 439 P CA -0.084 63.105 63.100 0.147 0.000 0.789 439 P CB 0.529 32.327 31.700 0.164 0.000 0.951 440 D N 0.167 120.594 120.400 0.046 0.000 2.369 440 D HA 0.283 5.030 4.640 0.179 0.000 0.241 440 D C 0.143 176.391 176.300 -0.086 0.000 1.271 440 D CA 0.346 54.343 54.000 -0.006 0.000 0.942 440 D CB 0.156 40.959 40.800 0.004 0.000 1.129 440 D HN 0.278 nan 8.370 nan 0.000 0.476 441 M N 1.260 120.802 119.600 -0.097 0.000 2.213 441 M HA 0.203 4.791 4.480 0.179 0.000 0.286 441 M C -1.549 174.668 176.300 -0.138 0.000 1.008 441 M CA -0.919 54.282 55.300 -0.165 0.000 0.937 441 M CB 1.054 33.547 32.600 -0.177 0.000 1.600 441 M HN 0.035 nan 8.290 nan 0.000 0.450 442 L N 4.978 126.099 121.223 -0.169 0.000 2.578 442 L HA 0.073 4.520 4.340 0.179 0.000 0.279 442 L C 0.203 177.022 176.870 -0.085 0.000 1.227 442 L CA 0.949 55.730 54.840 -0.100 0.000 0.900 442 L CB 0.057 42.098 42.059 -0.030 0.000 1.144 442 L HN 0.665 nan 8.230 nan 0.000 0.496 443 K N 3.190 123.550 120.400 -0.066 0.000 2.466 443 K HA -0.044 4.383 4.320 0.179 0.000 0.278 443 K C 1.110 177.624 176.600 -0.143 0.000 1.048 443 K CA 0.178 56.387 56.287 -0.130 0.000 1.088 443 K CB 0.176 32.601 32.500 -0.125 0.000 0.884 443 K HN 0.643 nan 8.250 nan 0.000 0.478 444 T N 2.258 116.645 114.554 -0.279 0.000 2.881 444 T HA -0.144 4.313 4.350 0.179 0.000 0.270 444 T C 0.248 174.892 174.700 -0.092 0.000 1.068 444 T CA 1.294 63.132 62.100 -0.437 0.000 1.131 444 T CB -0.355 68.255 68.868 -0.430 0.000 0.871 444 T HN 0.656 nan 8.240 nan 0.000 0.479 445 Y N -0.490 119.778 120.300 -0.053 0.000 2.588 445 Y HA 0.706 5.363 4.550 0.179 0.000 0.343 445 Y C -0.753 175.179 175.900 0.053 0.000 1.065 445 Y CA -2.200 55.919 58.100 0.032 0.000 1.038 445 Y CB 1.196 39.672 38.460 0.026 0.000 1.297 445 Y HN -0.079 nan 8.280 nan 0.000 0.467 446 V N -0.939 119.094 119.914 0.198 0.000 3.164 446 V HA 0.655 4.882 4.120 0.179 0.000 0.313 446 V C -0.665 175.536 176.094 0.179 0.000 1.188 446 V CA -1.277 61.096 62.300 0.121 0.000 1.058 446 V CB 1.670 33.559 31.823 0.111 0.000 1.110 446 V HN 0.875 nan 8.190 nan 0.000 0.453 447 N N 0.453 119.228 118.700 0.126 0.000 2.399 447 N HA 0.255 5.102 4.740 0.179 0.000 0.250 447 N C -0.211 175.360 175.510 0.103 0.000 1.272 447 N CA -0.179 52.940 53.050 0.115 0.000 0.928 447 N CB 0.145 38.683 38.487 0.084 0.000 1.158 447 N HN 0.842 nan 8.380 nan 0.000 0.463 448 E N -0.539 119.712 120.200 0.086 0.000 2.413 448 E HA 0.271 4.728 4.350 0.179 0.000 0.263 448 E C 0.862 177.501 176.600 0.066 0.000 1.015 448 E CA 0.800 57.243 56.400 0.072 0.000 0.916 448 E CB 0.215 29.950 29.700 0.057 0.000 0.947 448 E HN 0.744 nan 8.360 nan 0.000 0.440 449 G N 2.868 111.707 108.800 0.064 0.000 2.217 449 G HA2 -0.293 3.774 3.960 0.179 0.000 0.246 449 G HA3 -0.293 3.774 3.960 0.179 0.000 0.246 449 G C 0.077 175.020 174.900 0.072 0.000 0.990 449 G CA 0.052 45.188 45.100 0.060 0.000 0.627 449 G HN 0.525 nan 8.290 nan 0.000 0.522 450 E N 0.521 120.773 120.200 0.086 0.000 2.214 450 E HA 0.641 5.098 4.350 0.179 0.000 0.274 450 E C 0.458 177.136 176.600 0.131 0.000 0.977 450 E CA -0.198 56.265 56.400 0.105 0.000 0.827 450 E CB 1.517 31.279 29.700 0.103 0.000 1.130 450 E HN 0.609 nan 8.360 nan 0.000 0.394 451 A N 2.527 125.451 122.820 0.172 0.000 2.454 451 A HA 0.047 4.474 4.320 0.179 0.000 0.260 451 A C -0.261 177.482 177.584 0.264 0.000 1.106 451 A CA -0.145 52.022 52.037 0.216 0.000 0.780 451 A CB 0.183 19.386 19.000 0.338 0.000 1.044 451 A HN 0.502 nan 8.150 nan 0.000 0.498 452 D N 2.381 122.885 120.400 0.173 0.000 2.479 452 D HA 0.264 5.011 4.640 0.179 0.000 0.218 452 D C 0.193 176.587 176.300 0.157 0.000 1.131 452 D CA 0.011 54.128 54.000 0.194 0.000 0.916 452 D CB -0.087 40.813 40.800 0.168 0.000 1.022 452 D HN 0.521 nan 8.370 nan 0.000 0.515 453 Y N 1.986 122.370 120.300 0.140 0.000 2.373 453 Y HA -0.095 4.562 4.550 0.179 0.000 0.293 453 Y C 1.818 177.737 175.900 0.032 0.000 1.129 453 Y CA 0.429 58.593 58.100 0.105 0.000 1.226 453 Y CB -0.293 38.261 38.460 0.157 0.000 1.000 453 Y HN 0.431 nan 8.280 nan 0.000 0.549 454 F N 1.173 121.183 119.950 0.099 0.000 2.065 454 F HA -0.346 4.288 4.527 0.178 0.000 0.298 454 F C 2.232 178.070 175.800 0.064 0.000 1.112 454 F CA 1.950 59.989 58.000 0.064 0.000 1.212 454 F CB -0.492 38.540 39.000 0.054 0.000 0.975 454 F HN 0.005 nan 8.300 nan 0.000 0.476 455 Q N 0.737 120.485 119.800 -0.087 0.000 2.084 455 Q HA -0.207 4.240 4.340 0.179 0.000 0.202 455 Q C 2.240 178.149 176.000 -0.152 0.000 0.978 455 Q CA 1.908 57.615 55.803 -0.161 0.000 0.844 455 Q CB -0.527 28.229 28.738 0.030 0.000 0.898 455 Q HN 0.536 nan 8.270 nan 0.000 0.426 456 K N 0.048 120.384 120.400 -0.107 0.000 2.002 456 K HA -0.103 4.325 4.320 0.179 0.000 0.209 456 K C 2.234 178.847 176.600 0.022 0.000 1.048 456 K CA 1.529 57.802 56.287 -0.024 0.000 0.930 456 K CB -0.114 32.334 32.500 -0.088 0.000 0.714 456 K HN 0.002 nan 8.250 nan 0.000 0.438 457 V N 1.137 120.890 119.914 -0.269 0.000 2.453 457 V HA -0.170 4.057 4.120 0.179 0.000 0.247 457 V C 2.315 178.045 176.094 -0.607 0.000 1.048 457 V CA 1.810 63.801 62.300 -0.515 0.000 1.049 457 V CB -0.622 30.743 31.823 -0.763 0.000 0.672 457 V HN 0.336 nan 8.190 nan 0.000 0.457 458 A N 0.091 122.514 122.820 -0.662 0.000 1.902 458 A HA -0.256 4.171 4.320 0.179 0.000 0.217 458 A C 2.000 179.410 177.584 -0.290 0.000 1.181 458 A CA 2.065 53.739 52.037 -0.604 0.000 0.623 458 A CB -0.605 18.014 19.000 -0.634 0.000 0.818 458 A HN 0.518 nan 8.150 nan 0.000 0.443 459 D N -0.274 120.052 120.400 -0.123 0.000 2.097 459 D HA -0.109 4.638 4.640 0.179 0.000 0.195 459 D C 2.095 178.373 176.300 -0.036 0.000 0.989 459 D CA 1.551 55.578 54.000 0.044 0.000 0.827 459 D CB -0.464 40.412 40.800 0.127 0.000 0.966 459 D HN 0.212 nan 8.370 nan 0.000 0.456 460 V N 0.806 120.719 119.914 -0.003 0.000 2.343 460 V HA -0.215 4.012 4.120 0.179 0.000 0.247 460 V C 2.160 178.203 176.094 -0.085 0.000 1.051 460 V CA 1.167 63.479 62.300 0.020 0.000 1.036 460 V CB -0.549 31.396 31.823 0.203 0.000 0.654 460 V HN 0.081 nan 8.190 nan 0.000 0.451 461 F N 0.194 119.933 119.950 -0.352 0.000 2.075 461 F HA -0.224 4.410 4.527 0.178 0.000 0.297 461 F C 2.274 177.840 175.800 -0.390 0.000 1.113 461 F CA 1.832 59.560 58.000 -0.453 0.000 1.218 461 F CB -0.424 38.090 39.000 -0.810 0.000 0.984 461 F HN 0.160 nan 8.300 nan 0.000 0.472 462 Y N 0.699 120.808 120.300 -0.318 0.000 2.242 462 Y HA -0.165 4.492 4.550 0.179 0.000 0.291 462 Y C 2.443 178.135 175.900 -0.347 0.000 1.137 462 Y CA 1.676 59.522 58.100 -0.423 0.000 1.181 462 Y CB -1.067 36.975 38.460 -0.697 0.000 0.989 462 Y HN 0.169 nan 8.280 nan 0.000 0.527 463 E N -0.033 120.080 120.200 -0.146 0.000 2.058 463 E HA -0.204 4.253 4.350 0.179 0.000 0.194 463 E C 2.078 178.610 176.600 -0.113 0.000 0.997 463 E CA 1.374 57.732 56.400 -0.069 0.000 0.801 463 E CB -0.001 29.685 29.700 -0.023 0.000 0.746 463 E HN 0.190 nan 8.360 nan 0.000 0.450 464 K N 0.421 120.710 120.400 -0.186 0.000 2.155 464 K HA -0.134 4.293 4.320 0.179 0.000 0.203 464 K C 2.024 178.469 176.600 -0.258 0.000 1.052 464 K CA 0.858 57.025 56.287 -0.200 0.000 0.948 464 K CB -0.193 32.191 32.500 -0.192 0.000 0.728 464 K HN 0.214 nan 8.250 nan 0.000 0.448 465 Q N 1.119 120.710 119.800 -0.348 0.000 2.224 465 Q HA -0.092 4.355 4.340 0.179 0.000 0.203 465 Q C 1.749 177.684 176.000 -0.109 0.000 0.970 465 Q CA 1.196 56.850 55.803 -0.249 0.000 0.865 465 Q CB 0.219 28.780 28.738 -0.296 0.000 0.922 465 Q HN 0.166 nan 8.270 nan 0.000 0.445 466 K N 0.347 120.689 120.400 -0.097 0.000 2.002 466 K HA -0.165 4.262 4.320 0.179 0.000 0.209 466 K C 1.896 178.440 176.600 -0.094 0.000 1.048 466 K CA 1.628 57.873 56.287 -0.070 0.000 0.930 466 K CB 0.017 32.502 32.500 -0.025 0.000 0.714 466 K HN 0.314 nan 8.250 nan 0.000 0.438 467 E N 0.267 120.413 120.200 -0.091 0.000 2.153 467 E HA -0.156 4.302 4.350 0.179 0.000 0.194 467 E C 1.932 178.473 176.600 -0.099 0.000 0.988 467 E CA 1.092 57.458 56.400 -0.058 0.000 0.811 467 E CB 0.098 29.760 29.700 -0.063 0.000 0.746 467 E HN 0.071 nan 8.360 nan 0.000 0.466 468 V N -0.206 119.540 119.914 -0.280 0.000 2.446 468 V HA -0.133 4.094 4.120 0.179 0.000 0.244 468 V C 1.313 176.994 176.094 -0.687 0.000 1.039 468 V CA 1.469 63.435 62.300 -0.556 0.000 1.045 468 V CB -0.179 31.101 31.823 -0.904 0.000 0.681 468 V HN 0.189 nan 8.190 nan 0.000 0.459 469 F N -0.421 119.360 119.950 -0.281 0.000 2.784 469 F HA 0.623 5.257 4.527 0.179 0.000 0.323 469 F C 1.382 176.375 175.800 -1.346 0.000 1.085 469 F CA 0.141 57.774 58.000 -0.611 0.000 1.196 469 F CB -0.184 38.633 39.000 -0.304 0.000 1.053 469 F HN 0.247 nan 8.300 nan 0.000 0.578 470 G N 0.689 109.024 108.800 -0.776 0.000 2.750 470 G HA2 -0.237 3.831 3.960 0.179 0.000 0.228 470 G HA3 -0.237 3.831 3.960 0.179 0.000 0.228 470 G C -0.879 173.791 174.900 -0.383 0.000 1.367 470 G CA -0.632 44.103 45.100 -0.608 0.000 0.871 470 G HN 0.064 nan 8.290 nan 0.000 0.560 471 D N 1.185 121.445 120.400 -0.234 0.000 2.498 471 D HA 0.306 5.053 4.640 0.179 0.000 0.229 471 D C 1.721 177.894 176.300 -0.211 0.000 1.188 471 D CA 0.603 54.527 54.000 -0.127 0.000 1.028 471 D CB 0.563 41.363 40.800 -0.001 0.000 1.087 471 D HN 0.970 nan 8.370 nan 0.000 0.510 472 V N -0.186 119.543 119.914 -0.308 0.000 3.590 472 V HA 0.237 4.464 4.120 0.179 0.000 0.265 472 V C 0.858 176.879 176.094 -0.121 0.000 1.239 472 V CA 0.203 62.316 62.300 -0.313 0.000 1.117 472 V CB 0.363 31.828 31.823 -0.596 0.000 0.818 472 V HN 0.331 nan 8.190 nan 0.000 0.451 473 T N -0.384 114.094 114.554 -0.126 0.000 2.830 473 T HA 0.365 4.822 4.350 0.179 0.000 0.322 473 T C -0.487 174.117 174.700 -0.159 0.000 1.501 473 T CA -0.085 61.949 62.100 -0.109 0.000 1.036 473 T CB 1.840 70.574 68.868 -0.223 0.000 1.379 473 T HN 0.249 nan 8.240 nan 0.000 0.493 474 N N 0.389 119.015 118.700 -0.122 0.000 2.205 474 N HA 0.289 5.137 4.740 0.179 0.000 0.201 474 N C -0.743 174.450 175.510 -0.529 0.000 1.128 474 N CA -0.059 52.839 53.050 -0.254 0.000 0.867 474 N CB 0.515 38.836 38.487 -0.276 0.000 0.996 474 N HN 0.371 nan 8.380 nan 0.000 0.503 475 F N 0.778 120.500 119.950 -0.380 0.000 2.404 475 F HA 0.385 5.020 4.527 0.179 0.000 0.354 475 F C -0.682 174.837 175.800 -0.468 0.000 1.122 475 F CA -0.825 57.030 58.000 -0.241 0.000 1.080 475 F CB 0.587 39.527 39.000 -0.100 0.000 1.131 475 F HN -0.122 nan 8.300 nan 0.000 0.471 476 Y N 0.894 121.345 120.300 0.252 0.000 2.391 476 Y HA 0.635 5.292 4.550 0.178 0.000 0.341 476 Y C 0.372 176.453 175.900 0.301 0.000 0.965 476 Y CA -1.481 56.757 58.100 0.229 0.000 1.067 476 Y CB 2.138 40.711 38.460 0.189 0.000 1.199 476 Y HN 0.683 nan 8.280 nan 0.000 0.450 477 G N 1.653 110.698 108.800 0.408 0.000 2.417 477 G HA2 0.596 4.663 3.960 0.179 0.000 0.320 477 G HA3 0.596 4.663 3.960 0.179 0.000 0.320 477 G C -1.679 173.468 174.900 0.412 0.000 1.204 477 G CA -0.747 44.619 45.100 0.443 0.000 0.923 477 G HN 0.576 nan 8.290 nan 0.000 0.466 478 V N 1.800 121.990 119.914 0.459 0.000 3.147 478 V HA 0.627 4.855 4.120 0.179 0.000 0.299 478 V C -1.795 174.531 176.094 0.386 0.000 1.302 478 V CA -0.916 61.536 62.300 0.254 0.000 1.015 478 V CB 2.678 34.489 31.823 -0.020 0.000 1.086 478 V HN 0.750 nan 8.190 nan 0.000 0.437 479 D N 5.514 125.977 120.400 0.106 0.000 2.714 479 D HA 0.256 5.004 4.640 0.179 0.000 0.264 479 D C -2.850 173.432 176.300 -0.030 0.000 1.231 479 D CA -0.713 53.358 54.000 0.120 0.000 0.802 479 D CB 1.729 42.561 40.800 0.054 0.000 1.319 479 D HN 0.421 nan 8.370 nan 0.000 0.528 480 P HA 0.022 nan 4.420 nan 0.000 0.268 480 P C 0.226 177.345 177.300 -0.302 0.000 1.208 480 P CA -0.113 62.674 63.100 -0.522 0.000 0.777 480 P CB 0.357 31.513 31.700 -0.906 0.000 0.875 481 F N -2.891 117.088 119.950 0.049 0.000 3.074 481 F HA -0.205 4.429 4.527 0.178 0.000 0.289 481 F C 0.614 176.479 175.800 0.107 0.000 0.863 481 F CA 0.490 58.535 58.000 0.075 0.000 1.121 481 F CB -3.344 35.712 39.000 0.093 0.000 1.169 481 F HN 0.477 nan 8.300 nan 0.000 0.570 482 H N 1.791 120.912 119.070 0.085 0.000 2.955 482 H HA 0.369 5.031 4.556 0.178 0.000 0.290 482 H C 0.952 176.353 175.328 0.122 0.000 1.047 482 H CA 0.602 56.705 56.048 0.091 0.000 1.484 482 H CB 0.298 30.035 29.762 -0.040 0.000 1.501 482 H HN 0.319 nan 8.280 nan 0.000 0.521 483 E N 2.810 122.952 120.200 -0.097 0.000 2.360 483 E HA -0.280 4.177 4.350 0.179 0.000 0.238 483 E C 0.509 177.237 176.600 0.215 0.000 1.186 483 E CA 0.630 57.078 56.400 0.081 0.000 0.719 483 E CB -1.343 28.488 29.700 0.218 0.000 1.236 483 E HN 1.138 nan 8.360 nan 0.000 0.386 484 G N -1.609 107.294 108.800 0.171 0.000 2.240 484 G HA2 0.412 4.479 3.960 0.179 0.000 0.199 484 G HA3 0.412 4.479 3.960 0.179 0.000 0.199 484 G C 0.309 175.336 174.900 0.212 0.000 1.342 484 G CA 0.188 45.395 45.100 0.177 0.000 1.145 484 G HN 1.178 nan 8.290 nan 0.000 0.477 485 G N -0.272 108.648 108.800 0.200 0.000 2.587 485 G HA2 0.357 4.424 3.960 0.179 0.000 0.212 485 G HA3 0.357 4.424 3.960 0.179 0.000 0.212 485 G C -0.656 174.361 174.900 0.194 0.000 1.327 485 G CA 0.751 45.993 45.100 0.237 0.000 0.898 485 G HN 2.272 nan 8.290 nan 0.000 0.551 486 N N -0.702 118.145 118.700 0.244 0.000 2.537 486 N HA 0.466 5.313 4.740 0.179 0.000 0.281 486 N C 1.029 176.591 175.510 0.087 0.000 1.097 486 N CA 0.566 53.671 53.050 0.092 0.000 0.964 486 N CB 1.473 40.004 38.487 0.073 0.000 1.588 486 N HN 1.209 nan 8.380 nan 0.000 0.511 487 T N 0.022 114.468 114.554 -0.179 0.000 3.113 487 T HA 0.265 4.722 4.350 0.179 0.000 0.256 487 T C 1.227 175.891 174.700 -0.060 0.000 1.131 487 T CA 0.984 62.947 62.100 -0.227 0.000 1.074 487 T CB -0.344 68.267 68.868 -0.429 0.000 0.944 487 T HN 0.826 nan 8.240 nan 0.000 0.516 488 G N 2.206 110.985 108.800 -0.034 0.000 2.622 488 G HA2 -0.335 3.733 3.960 0.179 0.000 0.307 488 G HA3 -0.335 3.733 3.960 0.179 0.000 0.307 488 G C 0.308 175.186 174.900 -0.037 0.000 1.226 488 G CA 0.442 45.526 45.100 -0.026 0.000 0.997 488 G HN 0.470 nan 8.290 nan 0.000 0.551 489 D N 1.020 121.395 120.400 -0.042 0.000 2.339 489 D HA 0.211 4.958 4.640 0.179 0.000 0.217 489 D C 1.323 177.613 176.300 -0.017 0.000 1.050 489 D CA 0.149 54.132 54.000 -0.028 0.000 0.856 489 D CB 0.154 40.939 40.800 -0.025 0.000 0.922 489 D HN 0.341 nan 8.370 nan 0.000 0.518 490 L N 0.884 122.082 121.223 -0.041 0.000 2.436 490 L HA 0.167 4.614 4.340 0.179 0.000 0.265 490 L C 0.530 177.469 176.870 0.116 0.000 1.168 490 L CA -0.530 54.313 54.840 0.004 0.000 0.815 490 L CB 0.644 42.651 42.059 -0.085 0.000 1.109 490 L HN -0.229 nan 8.230 nan 0.000 0.462 491 D N 1.060 121.622 120.400 0.270 0.000 2.343 491 D HA 0.025 4.772 4.640 0.179 0.000 0.255 491 D C 1.040 177.442 176.300 0.170 0.000 1.187 491 D CA -0.179 53.925 54.000 0.172 0.000 0.875 491 D CB 0.744 41.629 40.800 0.142 0.000 1.136 491 D HN 0.348 nan 8.370 nan 0.000 0.469 492 N N 2.874 121.629 118.700 0.093 0.000 2.036 492 N HA -0.146 4.701 4.740 0.179 0.000 0.195 492 N C 1.880 177.506 175.510 0.194 0.000 1.037 492 N CA 1.396 54.512 53.050 0.110 0.000 0.855 492 N CB -0.523 37.961 38.487 -0.004 0.000 1.033 492 N HN 0.627 nan 8.380 nan 0.000 0.423 493 G N 0.916 109.780 108.800 0.106 0.000 2.459 493 G HA2 -0.283 3.784 3.960 0.179 0.000 0.217 493 G HA3 -0.283 3.784 3.960 0.179 0.000 0.217 493 G C 1.557 176.562 174.900 0.176 0.000 1.183 493 G CA 0.914 46.081 45.100 0.110 0.000 0.776 493 G HN 0.329 nan 8.290 nan 0.000 0.552 494 K N -0.044 120.432 120.400 0.126 0.000 2.103 494 K HA -0.031 4.396 4.320 0.179 0.000 0.207 494 K C 2.513 179.215 176.600 0.169 0.000 1.048 494 K CA 0.935 57.266 56.287 0.075 0.000 0.930 494 K CB -0.249 32.190 32.500 -0.101 0.000 0.716 494 K HN 0.402 nan 8.250 nan 0.000 0.444 495 I N -0.024 120.712 120.570 0.278 0.000 2.163 495 I HA -0.322 3.956 4.170 0.179 0.000 0.243 495 I C 1.859 178.072 176.117 0.161 0.000 1.085 495 I CA 1.492 62.926 61.300 0.223 0.000 1.347 495 I CB -0.355 37.822 38.000 0.295 0.000 1.044 495 I HN 0.188 nan 8.210 nan 0.000 0.408 496 Y N 0.606 121.039 120.300 0.222 0.000 2.314 496 Y HA -0.204 4.453 4.550 0.178 0.000 0.293 496 Y C 2.582 178.677 175.900 0.324 0.000 1.129 496 Y CA 1.339 59.644 58.100 0.343 0.000 1.201 496 Y CB -0.458 38.142 38.460 0.234 0.000 0.999 496 Y HN 0.225 nan 8.280 nan 0.000 0.541 497 E N 0.578 120.968 120.200 0.316 0.000 2.038 497 E HA -0.221 4.236 4.350 0.179 0.000 0.195 497 E C 1.923 178.627 176.600 0.174 0.000 1.000 497 E CA 1.885 58.412 56.400 0.211 0.000 0.803 497 E CB -0.326 29.448 29.700 0.125 0.000 0.750 497 E HN 0.484 nan 8.360 nan 0.000 0.448 498 I N 0.511 121.158 120.570 0.127 0.000 2.500 498 I HA -0.188 4.089 4.170 0.179 0.000 0.252 498 I C 2.291 178.496 176.117 0.147 0.000 1.142 498 I CA 0.453 61.823 61.300 0.118 0.000 1.451 498 I CB -0.087 37.956 38.000 0.072 0.000 1.093 498 I HN 0.185 nan 8.210 nan 0.000 0.430 499 I N 0.409 120.995 120.570 0.028 0.000 2.142 499 I HA -0.336 3.942 4.170 0.179 0.000 0.240 499 I C 2.718 178.778 176.117 -0.096 0.000 1.078 499 I CA 1.548 62.812 61.300 -0.060 0.000 1.343 499 I CB -0.406 37.357 38.000 -0.394 0.000 1.046 499 I HN 0.309 nan 8.210 nan 0.000 0.405 500 Q N 0.862 120.691 119.800 0.049 0.000 2.050 500 Q HA -0.233 4.214 4.340 0.179 0.000 0.202 500 Q C 1.987 178.043 176.000 0.094 0.000 0.980 500 Q CA 1.750 57.647 55.803 0.158 0.000 0.840 500 Q CB 0.018 29.010 28.738 0.423 0.000 0.898 500 Q HN 0.462 nan 8.270 nan 0.000 0.424 501 N N 0.640 119.409 118.700 0.115 0.000 2.223 501 N HA -0.157 4.690 4.740 0.179 0.000 0.185 501 N C 1.523 177.067 175.510 0.056 0.000 1.016 501 N CA 1.203 54.303 53.050 0.082 0.000 0.863 501 N CB -0.209 38.334 38.487 0.093 0.000 0.983 501 N HN 0.116 nan 8.380 nan 0.000 0.429 502 K N 1.091 121.556 120.400 0.110 0.000 2.097 502 K HA 0.072 4.499 4.320 0.179 0.000 0.205 502 K C 1.940 178.536 176.600 -0.006 0.000 1.050 502 K CA 0.831 57.190 56.287 0.119 0.000 0.938 502 K CB -0.343 32.311 32.500 0.257 0.000 0.718 502 K HN 0.141 nan 8.250 nan 0.000 0.442 503 M N -0.153 119.378 119.600 -0.114 0.000 2.086 503 M HA -0.086 4.501 4.480 0.179 0.000 0.261 503 M C 1.765 177.851 176.300 -0.356 0.000 1.067 503 M CA 1.700 56.747 55.300 -0.422 0.000 1.116 503 M CB -0.097 32.317 32.600 -0.311 0.000 1.348 503 M HN 0.166 nan 8.290 nan 0.000 0.407 504 I N -0.025 120.453 120.570 -0.153 0.000 2.493 504 I HA -0.264 4.013 4.170 0.179 0.000 0.254 504 I C 2.331 178.373 176.117 -0.125 0.000 1.160 504 I CA 1.169 62.409 61.300 -0.101 0.000 1.445 504 I CB -0.539 37.450 38.000 -0.019 0.000 1.086 504 I HN 0.468 nan 8.210 nan 0.000 0.433 505 E N 0.543 120.655 120.200 -0.146 0.000 2.153 505 E HA -0.248 4.209 4.350 0.179 0.000 0.194 505 E C 1.659 178.057 176.600 -0.337 0.000 0.988 505 E CA 1.423 57.694 56.400 -0.214 0.000 0.811 505 E CB 0.062 29.627 29.700 -0.225 0.000 0.746 505 E HN 0.626 nan 8.360 nan 0.000 0.466 506 H N -1.253 117.652 119.070 -0.275 0.000 2.592 506 H HA 0.168 4.831 4.556 0.179 0.000 0.265 506 H C -0.474 174.705 175.328 -0.249 0.000 0.955 506 H CA 0.589 56.467 56.048 -0.283 0.000 1.175 506 H CB 0.759 30.250 29.762 -0.451 0.000 1.433 506 H HN -0.061 nan 8.280 nan 0.000 0.537 507 D N -0.662 119.645 120.400 -0.156 0.000 2.470 507 D HA 0.003 4.750 4.640 0.179 0.000 0.233 507 D C 0.015 176.281 176.300 -0.056 0.000 1.372 507 D CA -0.284 53.672 54.000 -0.072 0.000 0.994 507 D CB 0.481 41.266 40.800 -0.025 0.000 1.377 507 D HN -0.042 nan 8.370 nan 0.000 0.586 508 N N 2.176 120.857 118.700 -0.032 0.000 2.364 508 N HA -0.116 4.731 4.740 0.179 0.000 0.183 508 N C 0.373 175.882 175.510 -0.003 0.000 1.022 508 N CA 1.134 54.172 53.050 -0.021 0.000 0.883 508 N CB 0.330 38.810 38.487 -0.012 0.000 0.965 508 N HN 0.308 nan 8.380 nan 0.000 0.438 509 D N -0.306 120.097 120.400 0.005 0.000 2.388 509 D HA 0.162 4.909 4.640 0.179 0.000 0.221 509 D C -0.179 176.106 176.300 -0.026 0.000 1.133 509 D CA -0.042 53.956 54.000 -0.003 0.000 0.831 509 D CB 0.032 40.833 40.800 0.001 0.000 0.962 509 D HN 0.283 nan 8.370 nan 0.000 0.502 510 A N 0.570 123.401 122.820 0.018 0.000 2.462 510 A HA 0.338 4.766 4.320 0.179 0.000 0.243 510 A C 0.220 177.823 177.584 0.031 0.000 1.076 510 A CA -0.021 52.068 52.037 0.087 0.000 0.773 510 A CB 0.656 19.700 19.000 0.073 0.000 1.010 510 A HN 0.019 nan 8.150 nan 0.000 0.493 511 V N 3.048 122.950 119.914 -0.021 0.000 2.444 511 V HA 0.235 4.462 4.120 0.179 0.000 0.294 511 V C -0.731 175.544 176.094 0.302 0.000 1.022 511 V CA -0.535 61.787 62.300 0.037 0.000 0.850 511 V CB 1.463 33.151 31.823 -0.225 0.000 0.992 511 V HN 0.932 nan 8.190 nan 0.000 0.426 512 W N 6.516 127.908 121.300 0.152 0.000 2.387 512 W HA 0.521 5.288 4.660 0.178 0.000 0.310 512 W C -0.510 176.126 176.519 0.195 0.000 1.181 512 W CA -0.999 56.465 57.345 0.199 0.000 1.333 512 W CB 0.959 30.526 29.460 0.178 0.000 1.286 512 W HN 0.347 nan 8.180 nan 0.000 0.455 513 V N 9.598 129.854 119.914 0.571 0.000 2.389 513 V HA 0.179 4.407 4.120 0.179 0.000 0.264 513 V C 0.389 176.624 176.094 0.236 0.000 1.049 513 V CA -0.283 62.193 62.300 0.295 0.000 0.932 513 V CB 0.107 32.074 31.823 0.241 0.000 1.011 513 V HN 0.281 nan 8.190 nan 0.000 0.475 514 I N 4.854 125.421 120.570 -0.005 0.000 2.406 514 I HA 0.370 4.647 4.170 0.179 0.000 0.290 514 I C 0.233 176.376 176.117 0.043 0.000 0.999 514 I CA -0.509 60.755 61.300 -0.061 0.000 1.124 514 I CB 1.766 39.560 38.000 -0.343 0.000 1.289 514 I HN 0.548 nan 8.210 nan 0.000 0.441 515 Q N 3.924 123.806 119.800 0.136 0.000 2.352 515 Q HA 0.129 4.576 4.340 0.179 0.000 0.260 515 Q C -0.302 175.809 176.000 0.185 0.000 0.976 515 Q CA -0.133 55.772 55.803 0.171 0.000 0.881 515 Q CB 0.884 29.772 28.738 0.250 0.000 1.235 515 Q HN 0.374 nan 8.270 nan 0.000 0.419 516 N N 2.833 121.647 118.700 0.189 0.000 2.621 516 N HA 0.134 4.981 4.740 0.179 0.000 0.237 516 N C -2.060 173.639 175.510 0.315 0.000 0.997 516 N CA -0.378 52.781 53.050 0.182 0.000 0.918 516 N CB 0.573 39.126 38.487 0.108 0.000 1.122 516 N HN 0.623 nan 8.380 nan 0.000 0.510 517 W N 5.716 127.058 121.300 0.070 0.000 2.475 517 W HA 0.208 4.974 4.660 0.175 0.000 0.320 517 W C -0.404 176.127 176.519 0.020 0.000 1.022 517 W CA -0.839 56.544 57.345 0.064 0.000 1.240 517 W CB 0.765 30.270 29.460 0.076 0.000 1.328 517 W HN 0.701 nan 8.180 nan 0.000 0.439 518 Q N 3.798 123.284 119.800 -0.523 0.000 2.453 518 Q HA -0.226 4.221 4.340 0.179 0.000 0.294 518 Q C 0.586 176.410 176.000 -0.293 0.000 1.295 518 Q CA 1.476 56.933 55.803 -0.577 0.000 0.853 518 Q CB -2.158 26.038 28.738 -0.902 0.000 1.193 518 Q HN 1.253 nan 8.270 nan 0.000 0.461 519 G N -0.432 108.264 108.800 -0.173 0.000 2.159 519 G HA2 -0.279 3.788 3.960 0.179 0.000 0.256 519 G HA3 -0.279 3.788 3.960 0.179 0.000 0.256 519 G C -0.219 174.619 174.900 -0.103 0.000 0.977 519 G CA 0.186 45.205 45.100 -0.134 0.000 0.652 519 G HN 0.590 nan 8.290 nan 0.000 0.531 520 N N 0.810 119.468 118.700 -0.070 0.000 2.284 520 N HA 0.550 5.397 4.740 0.179 0.000 0.300 520 N C -3.041 172.494 175.510 0.043 0.000 1.047 520 N CA -1.422 51.615 53.050 -0.022 0.000 0.821 520 N CB 2.287 40.774 38.487 -0.001 0.000 1.337 520 N HN -0.020 nan 8.380 nan 0.000 0.482 521 P HA 0.074 nan 4.420 nan 0.000 0.275 521 P C 0.137 177.350 177.300 -0.144 0.000 1.227 521 P CA -0.284 62.773 63.100 -0.073 0.000 0.781 521 P CB 0.462 32.032 31.700 -0.218 0.000 0.906 522 S N 1.748 117.358 115.700 -0.151 0.000 2.569 522 S HA -0.003 4.574 4.470 0.179 0.000 0.274 522 S C 1.146 175.642 174.600 -0.174 0.000 1.353 522 S CA 0.079 58.191 58.200 -0.147 0.000 1.023 522 S CB -0.293 62.828 63.200 -0.131 0.000 0.876 522 S HN 0.415 nan 8.310 nan 0.000 0.540 523 N N 2.066 120.682 118.700 -0.140 0.000 2.060 523 N HA -0.277 4.570 4.740 0.179 0.000 0.195 523 N C 1.792 177.221 175.510 -0.135 0.000 1.028 523 N CA 1.851 54.822 53.050 -0.130 0.000 0.861 523 N CB -0.556 37.869 38.487 -0.103 0.000 1.029 523 N HN 0.947 nan 8.380 nan 0.000 0.428 524 N N 0.841 119.468 118.700 -0.122 0.000 2.459 524 N HA -0.086 4.761 4.740 0.179 0.000 0.181 524 N C 1.297 176.731 175.510 -0.126 0.000 1.046 524 N CA 0.631 53.620 53.050 -0.100 0.000 0.904 524 N CB 0.144 38.589 38.487 -0.071 0.000 0.964 524 N HN 0.174 nan 8.380 nan 0.000 0.444 525 K N 0.436 120.703 120.400 -0.221 0.000 2.025 525 K HA 0.008 4.435 4.320 0.179 0.000 0.207 525 K C 1.877 178.182 176.600 -0.491 0.000 1.049 525 K CA 1.081 57.116 56.287 -0.421 0.000 0.933 525 K CB -0.134 31.936 32.500 -0.717 0.000 0.714 525 K HN 0.225 nan 8.250 nan 0.000 0.438 526 L N 1.001 121.990 121.223 -0.390 0.000 2.141 526 L HA -0.152 4.296 4.340 0.179 0.000 0.209 526 L C 1.966 178.761 176.870 -0.124 0.000 1.094 526 L CA 1.145 55.825 54.840 -0.266 0.000 0.763 526 L CB -0.278 41.654 42.059 -0.212 0.000 0.908 526 L HN 0.212 nan 8.230 nan 0.000 0.437 527 E N 0.024 120.165 120.200 -0.098 0.000 2.265 527 E HA -0.155 4.303 4.350 0.179 0.000 0.196 527 E C 2.092 178.689 176.600 -0.005 0.000 0.996 527 E CA 0.814 57.188 56.400 -0.044 0.000 0.832 527 E CB -0.186 29.487 29.700 -0.044 0.000 0.756 527 E HN 0.529 nan 8.360 nan 0.000 0.491 528 G N 0.439 109.246 108.800 0.012 0.000 2.598 528 G HA2 -0.103 3.964 3.960 0.179 0.000 0.215 528 G HA3 -0.103 3.964 3.960 0.179 0.000 0.215 528 G C 0.405 175.382 174.900 0.129 0.000 1.131 528 G CA -0.119 45.030 45.100 0.083 0.000 0.785 528 G HN 0.014 nan 8.290 nan 0.000 0.539 529 L N 2.440 123.730 121.223 0.112 0.000 2.385 529 L HA 0.215 4.662 4.340 0.179 0.000 0.281 529 L C 1.894 178.824 176.870 0.100 0.000 1.106 529 L CA 0.311 55.236 54.840 0.142 0.000 0.856 529 L CB 0.773 42.894 42.059 0.104 0.000 1.186 529 L HN 0.179 nan 8.230 nan 0.000 0.453 530 T N -0.538 114.082 114.554 0.110 0.000 3.067 530 T HA 0.067 4.524 4.350 0.179 0.000 0.257 530 T C 0.812 175.558 174.700 0.076 0.000 1.105 530 T CA 0.344 62.491 62.100 0.078 0.000 1.104 530 T CB -0.014 68.896 68.868 0.070 0.000 0.925 530 T HN 0.354 nan 8.240 nan 0.000 0.498 531 K N 1.300 121.758 120.400 0.097 0.000 2.484 531 K HA 0.382 4.809 4.320 0.179 0.000 0.226 531 K C 0.527 177.186 176.600 0.099 0.000 1.031 531 K CA -0.361 55.981 56.287 0.092 0.000 1.026 531 K CB 1.178 33.735 32.500 0.094 0.000 1.412 531 K HN 0.115 nan 8.250 nan 0.000 0.492 532 K N 0.591 121.037 120.400 0.076 0.000 2.057 532 K HA -0.125 4.302 4.320 0.179 0.000 0.207 532 K C 0.787 177.439 176.600 0.086 0.000 1.049 532 K CA 1.175 57.501 56.287 0.065 0.000 0.931 532 K CB 0.163 32.678 32.500 0.026 0.000 0.714 532 K HN 0.377 nan 8.250 nan 0.000 0.440 533 D N 0.845 121.302 120.400 0.094 0.000 2.350 533 D HA -0.103 4.644 4.640 0.179 0.000 0.216 533 D C 0.821 177.191 176.300 0.116 0.000 0.968 533 D CA 1.060 55.128 54.000 0.113 0.000 0.894 533 D CB 0.194 41.057 40.800 0.104 0.000 0.909 533 D HN 0.278 nan 8.370 nan 0.000 0.520 534 Q N -0.463 119.406 119.800 0.115 0.000 2.186 534 Q HA 0.421 4.869 4.340 0.179 0.000 0.241 534 Q C -0.341 175.769 176.000 0.183 0.000 0.849 534 Q CA -0.314 55.563 55.803 0.123 0.000 1.053 534 Q CB 1.431 30.233 28.738 0.105 0.000 1.146 534 Q HN 0.043 nan 8.270 nan 0.000 0.475 535 A N 1.017 123.938 122.820 0.168 0.000 2.435 535 A HA 0.897 5.324 4.320 0.179 0.000 0.296 535 A C -1.118 176.551 177.584 0.142 0.000 1.147 535 A CA -0.679 51.459 52.037 0.168 0.000 0.775 535 A CB 1.625 20.676 19.000 0.084 0.000 1.340 535 A HN 0.299 nan 8.150 nan 0.000 0.427 536 M N 1.497 121.169 119.600 0.121 0.000 2.234 536 M HA 0.452 5.039 4.480 0.179 0.000 0.267 536 M C -2.122 174.222 176.300 0.074 0.000 1.022 536 M CA -0.320 55.054 55.300 0.125 0.000 0.993 536 M CB 1.658 34.346 32.600 0.147 0.000 1.836 536 M HN 0.422 nan 8.290 nan 0.000 0.479 537 V N 5.732 125.713 119.914 0.111 0.000 2.407 537 V HA 0.397 4.624 4.120 0.179 0.000 0.278 537 V C -0.048 176.121 176.094 0.125 0.000 1.037 537 V CA -0.644 61.709 62.300 0.087 0.000 0.900 537 V CB 1.444 33.322 31.823 0.091 0.000 0.983 537 V HN 0.774 nan 8.190 nan 0.000 0.459 538 L N 3.795 125.045 121.223 0.044 0.000 2.342 538 L HA 0.302 4.749 4.340 0.179 0.000 0.285 538 L C 0.202 177.142 176.870 0.117 0.000 1.095 538 L CA -0.288 54.568 54.840 0.026 0.000 0.843 538 L CB 0.362 42.353 42.059 -0.113 0.000 1.201 538 L HN 0.620 nan 8.230 nan 0.000 0.445 539 D N 2.906 123.415 120.400 0.183 0.000 2.348 539 D HA 0.058 4.805 4.640 0.179 0.000 0.259 539 D C 0.727 177.098 176.300 0.118 0.000 1.296 539 D CA -0.146 53.947 54.000 0.155 0.000 0.931 539 D CB 1.087 41.993 40.800 0.178 0.000 1.067 539 D HN 0.319 nan 8.370 nan 0.000 0.503 540 L N 3.996 125.329 121.223 0.182 0.000 2.109 540 L HA 0.095 4.542 4.340 0.179 0.000 0.207 540 L C 0.967 177.968 176.870 0.218 0.000 1.086 540 L CA 1.040 55.992 54.840 0.187 0.000 0.760 540 L CB -0.153 42.055 42.059 0.248 0.000 0.910 540 L HN 0.456 nan 8.230 nan 0.000 0.437 541 F N -1.430 118.550 119.950 0.050 0.000 2.818 541 F HA 0.291 4.924 4.527 0.177 0.000 0.369 541 F C 1.664 177.369 175.800 -0.158 0.000 1.327 541 F CA -0.711 57.303 58.000 0.023 0.000 1.211 541 F CB -0.475 38.683 39.000 0.263 0.000 1.036 541 F HN -0.125 nan 8.300 nan 0.000 0.510 542 S N -0.009 115.504 115.700 -0.312 0.000 2.442 542 S HA -0.157 4.420 4.470 0.179 0.000 0.236 542 S C 1.985 176.208 174.600 -0.628 0.000 1.007 542 S CA 1.331 59.109 58.200 -0.703 0.000 0.965 542 S CB -0.154 62.020 63.200 -1.710 0.000 0.773 542 S HN 0.656 nan 8.310 nan 0.000 0.504 543 E N 0.884 120.780 120.200 -0.506 0.000 2.474 543 E HA 0.070 4.527 4.350 0.179 0.000 0.194 543 E C 1.218 177.658 176.600 -0.266 0.000 1.041 543 E CA 0.440 56.731 56.400 -0.180 0.000 0.874 543 E CB 0.020 29.728 29.700 0.014 0.000 0.914 543 E HN 0.421 nan 8.360 nan 0.000 0.498 544 V N -0.339 119.193 119.914 -0.637 0.000 3.251 544 V HA 0.168 4.395 4.120 0.179 0.000 0.239 544 V C 0.789 176.505 176.094 -0.631 0.000 1.332 544 V CA 0.626 62.434 62.300 -0.819 0.000 1.224 544 V CB 0.961 31.802 31.823 -1.638 0.000 1.004 544 V HN 0.159 nan 8.190 nan 0.000 0.464 545 S N 1.929 117.230 115.700 -0.664 0.000 2.359 545 S HA 0.379 4.956 4.470 0.179 0.000 0.148 545 S C -2.817 171.698 174.600 -0.143 0.000 1.610 545 S CA -0.952 57.094 58.200 -0.257 0.000 1.274 545 S CB 0.650 63.836 63.200 -0.023 0.000 1.380 545 S HN 0.271 nan 8.310 nan 0.000 0.380 546 P HA 0.284 nan 4.420 nan 0.000 0.268 546 P C -0.449 176.735 177.300 -0.194 0.000 1.205 546 P CA 0.303 63.341 63.100 -0.105 0.000 0.771 546 P CB 0.784 32.485 31.700 0.002 0.000 0.858 547 D N 1.706 121.994 120.400 -0.186 0.000 2.822 547 D HA 0.071 4.818 4.640 0.179 0.000 0.327 547 D C 0.760 176.897 176.300 -0.272 0.000 1.577 547 D CA -0.383 53.472 54.000 -0.241 0.000 0.785 547 D CB -0.078 40.650 40.800 -0.120 0.000 1.199 547 D HN 0.441 nan 8.370 nan 0.000 0.443 548 W N -0.705 120.357 121.300 -0.397 0.000 2.863 548 W HA 0.177 4.944 4.660 0.178 0.000 0.258 548 W C 1.026 177.162 176.519 -0.639 0.000 1.298 548 W CA -0.119 56.789 57.345 -0.728 0.000 1.451 548 W CB -0.782 27.807 29.460 -1.451 0.000 1.107 548 W HN 0.001 nan 8.180 nan 0.000 0.641 549 N N 2.482 120.676 118.700 -0.844 0.000 2.149 549 N HA -0.289 4.558 4.740 0.179 0.000 0.188 549 N C 2.211 177.560 175.510 -0.269 0.000 1.019 549 N CA 3.114 55.804 53.050 -0.600 0.000 0.857 549 N CB -0.329 37.749 38.487 -0.683 0.000 0.997 549 N HN 0.230 nan 8.380 nan 0.000 0.426 550 R N 0.370 120.715 120.500 -0.260 0.000 2.091 550 R HA -0.128 4.319 4.340 0.179 0.000 0.238 550 R C 1.938 178.166 176.300 -0.120 0.000 1.136 550 R CA 1.548 57.549 56.100 -0.165 0.000 0.959 550 R CB -0.853 29.350 30.300 -0.161 0.000 0.856 550 R HN 0.289 nan 8.270 nan 0.000 0.437 551 L N 0.644 121.782 121.223 -0.142 0.000 2.044 551 L HA -0.038 4.409 4.340 0.179 0.000 0.205 551 L C 2.757 179.627 176.870 -0.001 0.000 1.075 551 L CA 1.450 56.239 54.840 -0.085 0.000 0.747 551 L CB -0.586 41.409 42.059 -0.107 0.000 0.903 551 L HN 0.192 nan 8.230 nan 0.000 0.435 552 E N 1.198 121.405 120.200 0.010 0.000 2.058 552 E HA -0.262 4.195 4.350 0.179 0.000 0.194 552 E C 1.984 178.699 176.600 0.192 0.000 0.997 552 E CA 1.688 58.258 56.400 0.283 0.000 0.801 552 E CB -0.082 29.909 29.700 0.485 0.000 0.746 552 E HN 0.420 nan 8.360 nan 0.000 0.450 553 E N -0.406 119.845 120.200 0.086 0.000 2.209 553 E HA -0.140 4.318 4.350 0.179 0.000 0.196 553 E C 1.752 178.361 176.600 0.016 0.000 0.993 553 E CA 0.864 57.294 56.400 0.049 0.000 0.819 553 E CB -0.052 29.647 29.700 -0.002 0.000 0.745 553 E HN 0.127 nan 8.360 nan 0.000 0.477 554 R N 0.536 121.027 120.500 -0.014 0.000 2.356 554 R HA -0.001 4.447 4.340 0.179 0.000 0.234 554 R C -0.489 175.761 176.300 -0.083 0.000 0.929 554 R CA 0.071 56.147 56.100 -0.039 0.000 1.084 554 R CB 0.410 30.681 30.300 -0.048 0.000 1.105 554 R HN 0.018 nan 8.270 nan 0.000 0.515 555 D N 0.272 120.575 120.400 -0.161 0.000 2.837 555 D HA -0.176 4.571 4.640 0.179 0.000 0.230 555 D C -0.922 175.116 176.300 -0.437 0.000 1.152 555 D CA 0.901 54.577 54.000 -0.541 0.000 0.736 555 D CB -0.619 39.993 40.800 -0.312 0.000 1.084 555 D HN 0.067 nan 8.370 nan 0.000 0.429 556 L N 0.312 121.450 121.223 -0.142 0.000 2.276 556 L HA 0.365 4.812 4.340 0.179 0.000 0.286 556 L C -1.789 175.211 176.870 0.216 0.000 1.061 556 L CA -1.838 53.019 54.840 0.029 0.000 0.807 556 L CB 0.310 42.407 42.059 0.063 0.000 1.177 556 L HN -0.265 nan 8.230 nan 0.000 0.429 557 P HA 0.006 nan 4.420 nan 0.000 0.261 557 P C -0.876 176.604 177.300 0.301 0.000 1.183 557 P CA 0.318 63.565 63.100 0.245 0.000 0.761 557 P CB 0.232 32.052 31.700 0.199 0.000 0.785 558 W N 3.572 124.953 121.300 0.134 0.000 3.062 558 W HA 0.680 5.447 4.660 0.178 0.000 0.336 558 W C -2.050 174.525 176.519 0.093 0.000 1.224 558 W CA -1.105 56.300 57.345 0.100 0.000 1.159 558 W CB 0.726 30.259 29.460 0.123 0.000 1.454 558 W HN 0.077 nan 8.180 nan 0.000 0.569 559 I N 1.387 122.138 120.570 0.301 0.000 2.498 559 I HA 0.214 4.492 4.170 0.179 0.000 0.290 559 I C -1.151 175.198 176.117 0.387 0.000 1.032 559 I CA -0.664 60.721 61.300 0.141 0.000 1.073 559 I CB 2.379 40.413 38.000 0.056 0.000 1.251 559 I HN 0.512 nan 8.210 nan 0.000 0.426 560 W N 7.639 129.002 121.300 0.104 0.000 2.388 560 W HA 0.288 5.055 4.660 0.179 0.000 0.308 560 W C -0.386 176.177 176.519 0.073 0.000 1.263 560 W CA -0.061 57.390 57.345 0.177 0.000 1.286 560 W CB 0.531 30.007 29.460 0.027 0.000 1.294 560 W HN 0.431 nan 8.180 nan 0.000 0.493 561 N N 6.703 125.419 118.700 0.027 0.000 2.284 561 N HA 0.303 5.150 4.740 0.179 0.000 0.300 561 N C -1.045 174.383 175.510 -0.137 0.000 1.047 561 N CA -0.853 52.239 53.050 0.071 0.000 0.821 561 N CB 2.114 40.664 38.487 0.105 0.000 1.337 561 N HN 0.442 nan 8.380 nan 0.000 0.482 562 M N 3.845 123.474 119.600 0.048 0.000 2.077 562 M HA 0.164 4.751 4.480 0.179 0.000 0.348 562 M C 0.338 176.675 176.300 0.062 0.000 1.252 562 M CA -0.280 55.036 55.300 0.026 0.000 1.096 562 M CB 0.697 33.317 32.600 0.035 0.000 1.568 562 M HN 0.616 nan 8.290 nan 0.000 0.456 563 L N 4.492 125.789 121.223 0.124 0.000 2.034 563 L HA -0.122 4.325 4.340 0.179 0.000 0.203 563 L C 1.824 178.749 176.870 0.092 0.000 1.074 563 L CA 1.894 56.752 54.840 0.030 0.000 0.748 563 L CB -0.246 41.726 42.059 -0.146 0.000 0.905 563 L HN 1.032 nan 8.230 nan 0.000 0.439 564 H N -0.308 118.826 119.070 0.106 0.000 4.905 564 H HA -0.329 4.336 4.556 0.182 0.000 0.065 564 H C 0.248 175.703 175.328 0.212 0.000 0.584 564 H CA 1.766 57.896 56.048 0.137 0.000 0.984 564 H CB -1.148 28.590 29.762 -0.040 0.000 0.446 564 H HN 0.522 nan 8.280 nan 0.000 0.786 565 N N 0.306 118.976 118.700 -0.050 0.000 2.408 565 N HA 0.454 5.301 4.740 0.179 0.000 0.280 565 N C -1.403 174.019 175.510 -0.147 0.000 1.002 565 N CA -0.335 52.675 53.050 -0.067 0.000 0.907 565 N CB 0.728 39.331 38.487 0.194 0.000 1.161 565 N HN 0.160 nan 8.380 nan 0.000 0.488 566 F N 2.232 122.108 119.950 -0.123 0.000 2.444 566 F HA 0.419 5.053 4.527 0.178 0.000 0.342 566 F C 1.399 177.057 175.800 -0.236 0.000 1.121 566 F CA -0.364 57.571 58.000 -0.109 0.000 0.997 566 F CB 2.125 41.052 39.000 -0.121 0.000 1.130 566 F HN 0.749 nan 8.300 nan 0.000 0.454 567 G N 1.814 110.563 108.800 -0.085 0.000 2.186 567 G HA2 -0.136 3.931 3.960 0.179 0.000 0.266 567 G HA3 -0.136 3.931 3.960 0.179 0.000 0.266 567 G C 1.172 175.656 174.900 -0.694 0.000 0.982 567 G CA 0.480 45.197 45.100 -0.638 0.000 0.670 567 G HN 1.840 nan 8.290 nan 0.000 0.533 568 G N -1.288 107.309 108.800 -0.339 0.000 2.168 568 G HA2 -0.315 3.752 3.960 0.179 0.000 0.263 568 G HA3 -0.315 3.752 3.960 0.179 0.000 0.263 568 G C 0.483 175.225 174.900 -0.264 0.000 0.977 568 G CA 0.977 45.932 45.100 -0.243 0.000 0.659 568 G HN 1.083 nan 8.290 nan 0.000 0.533 569 R N -0.450 119.888 120.500 -0.271 0.000 2.537 569 R HA 0.496 4.944 4.340 0.179 0.000 0.280 569 R C 0.787 176.979 176.300 -0.181 0.000 1.058 569 R CA 0.366 56.305 56.100 -0.269 0.000 1.057 569 R CB 0.333 30.467 30.300 -0.277 0.000 0.973 569 R HN 0.389 nan 8.270 nan 0.000 0.438 570 M N 0.646 120.123 119.600 -0.205 0.000 2.654 570 M HA 0.597 5.184 4.480 0.179 0.000 0.310 570 M C 0.269 176.499 176.300 -0.116 0.000 1.211 570 M CA -0.310 54.911 55.300 -0.131 0.000 0.947 570 M CB 2.431 34.918 32.600 -0.188 0.000 1.647 570 M HN 0.819 nan 8.290 nan 0.000 0.481 571 G N 1.116 109.897 108.800 -0.031 0.000 2.321 571 G HA2 0.161 4.229 3.960 0.179 0.000 0.339 571 G HA3 0.161 4.229 3.960 0.179 0.000 0.339 571 G C -1.502 173.464 174.900 0.111 0.000 1.518 571 G CA -1.151 43.943 45.100 -0.011 0.000 0.994 571 G HN 0.449 nan 8.290 nan 0.000 0.668 572 M N 1.996 121.664 119.600 0.113 0.000 2.350 572 M HA 0.390 4.977 4.480 0.179 0.000 0.338 572 M C -0.316 176.167 176.300 0.306 0.000 1.559 572 M CA 0.169 55.617 55.300 0.247 0.000 1.217 572 M CB -0.011 32.641 32.600 0.088 0.000 1.808 572 M HN 0.716 nan 8.290 nan 0.000 0.458 573 D N 3.108 123.761 120.400 0.422 0.000 2.861 573 D HA 0.714 5.462 4.640 0.179 0.000 0.216 573 D C -1.995 174.383 176.300 0.130 0.000 1.323 573 D CA -0.253 53.907 54.000 0.267 0.000 0.917 573 D CB 1.308 42.233 40.800 0.208 0.000 1.582 573 D HN 0.689 nan 8.370 nan 0.000 0.576 574 A N 2.034 124.712 122.820 -0.238 0.000 2.612 574 A HA 0.809 5.236 4.320 0.179 0.000 0.293 574 A C -1.306 176.132 177.584 -0.243 0.000 1.075 574 A CA -0.264 51.516 52.037 -0.428 0.000 0.680 574 A CB 1.557 19.827 19.000 -1.217 0.000 1.279 574 A HN 0.934 nan 8.150 nan 0.000 0.411 575 A N 1.742 124.470 122.820 -0.153 0.000 3.201 575 A HA 0.644 5.071 4.320 0.179 0.000 0.312 575 A C -1.746 175.738 177.584 -0.167 0.000 1.011 575 A CA -1.003 50.979 52.037 -0.092 0.000 0.987 575 A CB -0.098 18.912 19.000 0.015 0.000 1.060 575 A HN 0.462 nan 8.150 nan 0.000 0.505 576 P HA -0.181 nan 4.420 nan 0.000 0.219 576 P C 1.187 178.279 177.300 -0.346 0.000 1.150 576 P CA 1.132 64.104 63.100 -0.213 0.000 0.814 576 P CB 0.364 32.073 31.700 0.015 0.000 0.787 577 E N 0.729 120.515 120.200 -0.691 0.000 2.077 577 E HA -0.182 4.276 4.350 0.179 0.000 0.193 577 E C 1.956 178.346 176.600 -0.350 0.000 0.989 577 E CA 1.162 57.027 56.400 -0.891 0.000 0.800 577 E CB -0.139 28.843 29.700 -1.196 0.000 0.746 577 E HN 0.130 nan 8.360 nan 0.000 0.452 578 K N 0.167 120.436 120.400 -0.218 0.000 2.097 578 K HA -0.086 4.341 4.320 0.179 0.000 0.205 578 K C 2.236 178.787 176.600 -0.082 0.000 1.050 578 K CA 1.054 57.301 56.287 -0.067 0.000 0.938 578 K CB -0.056 32.467 32.500 0.038 0.000 0.718 578 K HN 0.200 nan 8.250 nan 0.000 0.442 579 L N 0.269 121.410 121.223 -0.136 0.000 2.083 579 L HA -0.175 4.272 4.340 0.179 0.000 0.209 579 L C 2.432 179.127 176.870 -0.292 0.000 1.083 579 L CA 1.233 55.928 54.840 -0.242 0.000 0.752 579 L CB -0.559 41.343 42.059 -0.262 0.000 0.899 579 L HN 0.199 nan 8.230 nan 0.000 0.433 580 A N -0.630 122.057 122.820 -0.222 0.000 2.167 580 A HA -0.065 4.362 4.320 0.179 0.000 0.214 580 A C 2.171 179.696 177.584 -0.098 0.000 1.151 580 A CA 1.554 53.500 52.037 -0.152 0.000 0.735 580 A CB -0.426 18.550 19.000 -0.039 0.000 0.802 580 A HN 0.542 nan 8.150 nan 0.000 0.467 581 T N -4.524 109.966 114.554 -0.107 0.000 3.138 581 T HA 0.078 4.535 4.350 0.179 0.000 0.245 581 T C 1.439 176.095 174.700 -0.074 0.000 0.982 581 T CA 0.540 62.606 62.100 -0.057 0.000 1.134 581 T CB -0.194 68.664 68.868 -0.017 0.000 1.032 581 T HN 0.144 nan 8.240 nan 0.000 0.442 582 E N 1.691 121.843 120.200 -0.081 0.000 2.150 582 E HA 0.084 4.541 4.350 0.179 0.000 0.193 582 E C 2.184 178.638 176.600 -0.243 0.000 0.985 582 E CA 0.649 57.036 56.400 -0.021 0.000 0.814 582 E CB -0.375 29.438 29.700 0.188 0.000 0.752 582 E HN 0.606 nan 8.360 nan 0.000 0.466 583 I N 1.332 121.567 120.570 -0.558 0.000 2.090 583 I HA -0.217 4.060 4.170 0.179 0.000 0.236 583 I C -0.595 175.317 176.117 -0.342 0.000 1.064 583 I CA 1.295 62.128 61.300 -0.777 0.000 1.324 583 I CB -1.691 35.782 38.000 -0.879 0.000 1.044 583 I HN 0.061 nan 8.210 nan 0.000 0.399 584 P HA -0.179 nan 4.420 nan 0.000 0.218 584 P C 1.489 178.756 177.300 -0.054 0.000 1.148 584 P CA 1.469 64.519 63.100 -0.085 0.000 0.822 584 P CB -0.089 31.577 31.700 -0.057 0.000 0.784 585 K N -0.133 120.245 120.400 -0.037 0.000 2.032 585 K HA -0.146 4.281 4.320 0.179 0.000 0.209 585 K C 2.039 178.679 176.600 0.068 0.000 1.048 585 K CA 1.650 57.957 56.287 0.033 0.000 0.927 585 K CB -0.599 31.943 32.500 0.070 0.000 0.712 585 K HN -0.017 nan 8.250 nan 0.000 0.441 586 A N 1.015 123.858 122.820 0.040 0.000 1.930 586 A HA -0.142 4.285 4.320 0.179 0.000 0.217 586 A C 1.995 179.543 177.584 -0.061 0.000 1.175 586 A CA 1.130 53.175 52.037 0.012 0.000 0.627 586 A CB -0.494 18.461 19.000 -0.075 0.000 0.815 586 A HN 0.364 nan 8.150 nan 0.000 0.443 587 L N -0.162 121.015 121.223 -0.077 0.000 2.017 587 L HA -0.078 4.369 4.340 0.179 0.000 0.208 587 L C 2.647 179.482 176.870 -0.058 0.000 1.073 587 L CA 2.265 57.051 54.840 -0.091 0.000 0.745 587 L CB -0.721 41.276 42.059 -0.104 0.000 0.894 587 L HN 0.323 nan 8.230 nan 0.000 0.432 588 A N -0.734 122.072 122.820 -0.022 0.000 1.972 588 A HA -0.144 4.283 4.320 0.179 0.000 0.219 588 A C 1.683 179.295 177.584 0.047 0.000 1.169 588 A CA 1.678 53.716 52.037 0.002 0.000 0.635 588 A CB -0.598 18.410 19.000 0.012 0.000 0.810 588 A HN 0.626 nan 8.150 nan 0.000 0.446 589 N N 0.211 118.971 118.700 0.100 0.000 2.295 589 N HA 0.092 4.939 4.740 0.179 0.000 0.221 589 N C -0.326 175.328 175.510 0.239 0.000 1.129 589 N CA 0.775 53.931 53.050 0.176 0.000 0.836 589 N CB 0.320 38.958 38.487 0.251 0.000 1.040 589 N HN 0.576 nan 8.380 nan 0.000 0.494 590 S N -1.448 114.348 115.700 0.160 0.000 2.618 590 S HA 0.491 5.068 4.470 0.179 0.000 0.277 590 S C 0.185 174.832 174.600 0.078 0.000 1.138 590 S CA -0.700 57.627 58.200 0.212 0.000 0.844 590 S CB 2.353 65.721 63.200 0.280 0.000 1.127 590 S HN -0.035 nan 8.310 nan 0.000 0.474 591 E N -0.718 119.521 120.200 0.065 0.000 2.514 591 E HA 0.202 4.659 4.350 0.179 0.000 0.215 591 E C 0.122 176.488 176.600 -0.390 0.000 0.946 591 E CA -0.112 56.175 56.400 -0.189 0.000 1.038 591 E CB 0.289 29.822 29.700 -0.278 0.000 1.069 591 E HN 0.686 nan 8.360 nan 0.000 0.503 592 H N -0.479 118.661 119.070 0.117 0.000 2.785 592 H HA 0.230 4.894 4.556 0.179 0.000 0.268 592 H C -0.058 175.087 175.328 -0.304 0.000 1.153 592 H CA -0.160 55.924 56.048 0.060 0.000 1.111 592 H CB 0.410 30.326 29.762 0.256 0.000 1.633 592 H HN 0.102 nan 8.280 nan 0.000 0.576 593 M N 2.934 122.251 119.600 -0.473 0.000 2.341 593 M HA 0.037 4.624 4.480 0.179 0.000 0.336 593 M C 0.757 176.777 176.300 -0.467 0.000 1.489 593 M CA -0.084 54.586 55.300 -1.050 0.000 1.278 593 M CB 0.069 32.083 32.600 -0.977 0.000 1.657 593 M HN 0.046 nan 8.290 nan 0.000 0.455 594 V N 1.907 121.614 119.914 -0.344 0.000 3.647 594 V HA 0.625 4.853 4.120 0.179 0.000 0.279 594 V C 0.538 176.667 176.094 0.059 0.000 1.314 594 V CA 0.480 62.743 62.300 -0.063 0.000 1.125 594 V CB -0.968 30.908 31.823 0.089 0.000 0.907 594 V HN 0.895 nan 8.190 nan 0.000 0.434 595 G N 0.406 109.205 108.800 -0.002 0.000 2.349 595 G HA2 0.581 4.649 3.960 0.179 0.000 0.294 595 G HA3 0.581 4.649 3.960 0.179 0.000 0.294 595 G C -1.500 173.267 174.900 -0.222 0.000 1.380 595 G CA -0.270 44.834 45.100 0.007 0.000 0.811 595 G HN 0.761 nan 8.290 nan 0.000 0.519 596 I N -2.475 117.925 120.570 -0.284 0.000 3.145 596 I HA 1.052 5.329 4.170 0.179 0.000 0.313 596 I C 0.259 176.424 176.117 0.080 0.000 1.122 596 I CA -0.964 60.233 61.300 -0.171 0.000 0.987 596 I CB 2.280 39.997 38.000 -0.473 0.000 1.236 596 I HN 1.411 nan 8.210 nan 0.000 0.453 597 G N 1.914 110.821 108.800 0.179 0.000 2.488 597 G HA2 0.565 4.633 3.960 0.179 0.000 0.301 597 G HA3 0.565 4.633 3.960 0.179 0.000 0.301 597 G C -1.790 173.212 174.900 0.170 0.000 1.339 597 G CA -0.696 44.574 45.100 0.284 0.000 0.803 597 G HN 1.092 nan 8.290 nan 0.000 0.482 598 I N -1.910 118.801 120.570 0.235 0.000 2.509 598 I HA 0.784 5.061 4.170 0.179 0.000 0.293 598 I C 0.160 176.437 176.117 0.266 0.000 1.020 598 I CA -0.770 60.640 61.300 0.184 0.000 1.088 598 I CB 2.653 40.769 38.000 0.193 0.000 1.267 598 I HN 0.516 nan 8.210 nan 0.000 0.430 599 T N 1.869 116.542 114.554 0.198 0.000 3.483 599 T HA 0.454 4.911 4.350 0.179 0.000 0.258 599 T C -2.525 172.201 174.700 0.043 0.000 1.013 599 T CA -1.398 60.794 62.100 0.154 0.000 1.078 599 T CB -0.250 68.689 68.868 0.119 0.000 1.111 599 T HN 0.507 nan 8.240 nan 0.000 0.538 600 P HA 0.308 nan 4.420 nan 0.000 0.278 600 P C 0.422 177.729 177.300 0.011 0.000 1.238 600 P CA -0.201 62.953 63.100 0.091 0.000 0.794 600 P CB 1.504 33.392 31.700 0.314 0.000 0.955 601 E N 0.894 121.072 120.200 -0.037 0.000 2.285 601 E HA 0.131 4.589 4.350 0.179 0.000 0.194 601 E C 0.507 177.236 176.600 0.215 0.000 0.997 601 E CA 0.532 56.999 56.400 0.111 0.000 0.845 601 E CB 0.220 30.026 29.700 0.177 0.000 0.782 601 E HN 0.546 nan 8.360 nan 0.000 0.491 602 A N 0.736 123.620 122.820 0.107 0.000 2.574 602 A HA 0.553 4.980 4.320 0.179 0.000 0.297 602 A C -1.173 176.435 177.584 0.041 0.000 1.062 602 A CA -0.685 51.393 52.037 0.069 0.000 0.686 602 A CB 1.157 20.197 19.000 0.067 0.000 1.285 602 A HN 0.079 nan 8.150 nan 0.000 0.403 603 I N 3.093 123.642 120.570 -0.035 0.000 2.442 603 I HA 0.265 4.543 4.170 0.179 0.000 0.279 603 I C 0.334 176.430 176.117 -0.034 0.000 1.081 603 I CA -0.261 60.969 61.300 -0.115 0.000 1.197 603 I CB 0.415 38.303 38.000 -0.188 0.000 1.394 603 I HN 0.733 nan 8.210 nan 0.000 0.488 604 N N 1.737 120.476 118.700 0.065 0.000 2.036 604 N HA 0.096 4.943 4.740 0.179 0.000 0.228 604 N C -0.196 175.486 175.510 0.286 0.000 1.368 604 N CA -0.187 52.968 53.050 0.175 0.000 0.846 604 N CB 1.141 39.750 38.487 0.204 0.000 1.145 604 N HN 0.188 nan 8.380 nan 0.000 0.502 605 T N 0.798 115.541 114.554 0.315 0.000 2.916 605 T HA 0.362 4.819 4.350 0.179 0.000 0.305 605 T C -1.135 173.894 174.700 0.548 0.000 1.119 605 T CA -0.472 61.891 62.100 0.439 0.000 1.008 605 T CB 1.198 70.301 68.868 0.393 0.000 1.129 605 T HN 0.264 nan 8.240 nan 0.000 0.480 606 N N 2.293 121.332 118.700 0.565 0.000 2.642 606 N HA -0.137 4.710 4.740 0.179 0.000 0.269 606 N C -2.227 173.579 175.510 0.492 0.000 1.073 606 N CA 0.199 53.579 53.050 0.551 0.000 0.748 606 N CB -0.409 38.360 38.487 0.469 0.000 0.894 606 N HN 0.400 nan 8.380 nan 0.000 0.548 607 P HA -0.220 nan 4.420 nan 0.000 0.218 607 P C 1.652 179.199 177.300 0.411 0.000 1.148 607 P CA 0.609 63.975 63.100 0.444 0.000 0.822 607 P CB 0.174 32.076 31.700 0.337 0.000 0.784 608 L N 0.615 122.036 121.223 0.330 0.000 2.043 608 L HA -0.166 4.281 4.340 0.179 0.000 0.212 608 L C 2.226 179.071 176.870 -0.041 0.000 1.075 608 L CA 2.466 57.303 54.840 -0.004 0.000 0.752 608 L CB -1.895 40.287 42.059 0.205 0.000 0.891 608 L HN -0.047 nan 8.230 nan 0.000 0.432 609 A N -1.145 121.623 122.820 -0.087 0.000 1.908 609 A HA -0.260 4.168 4.320 0.179 0.000 0.218 609 A C 2.042 179.377 177.584 -0.415 0.000 1.181 609 A CA 1.984 53.786 52.037 -0.391 0.000 0.627 609 A CB -0.932 17.608 19.000 -0.766 0.000 0.818 609 A HN 0.601 nan 8.150 nan 0.000 0.445 610 Y N -0.917 119.350 120.300 -0.055 0.000 2.365 610 Y HA 0.020 4.675 4.550 0.176 0.000 0.293 610 Y C 2.400 178.353 175.900 0.089 0.000 1.119 610 Y CA 1.191 59.306 58.100 0.024 0.000 1.203 610 Y CB -0.167 38.469 38.460 0.295 0.000 1.026 610 Y HN 0.501 nan 8.280 nan 0.000 0.549 611 E N 0.442 120.841 120.200 0.332 0.000 2.106 611 E HA -0.188 4.269 4.350 0.179 0.000 0.192 611 E C 1.996 178.720 176.600 0.207 0.000 0.984 611 E CA 0.927 57.549 56.400 0.370 0.000 0.806 611 E CB -0.234 29.762 29.700 0.492 0.000 0.750 611 E HN 0.325 nan 8.360 nan 0.000 0.458 612 L N 0.687 121.811 121.223 -0.165 0.000 2.056 612 L HA -0.044 4.404 4.340 0.179 0.000 0.207 612 L C 2.220 178.869 176.870 -0.368 0.000 1.078 612 L CA 1.498 55.949 54.840 -0.649 0.000 0.749 612 L CB -0.670 40.701 42.059 -1.147 0.000 0.901 612 L HN 0.367 nan 8.230 nan 0.000 0.433 613 L N -1.537 119.491 121.223 -0.324 0.000 2.012 613 L HA -0.231 4.217 4.340 0.179 0.000 0.210 613 L C 2.207 178.947 176.870 -0.217 0.000 1.073 613 L CA 1.763 56.402 54.840 -0.335 0.000 0.748 613 L CB -0.459 41.340 42.059 -0.433 0.000 0.891 613 L HN 0.189 nan 8.230 nan 0.000 0.431 614 F N -0.092 119.847 119.950 -0.018 0.000 2.325 614 F HA -0.129 4.506 4.527 0.179 0.000 0.299 614 F C 2.205 178.106 175.800 0.169 0.000 1.090 614 F CA 0.921 58.938 58.000 0.029 0.000 1.392 614 F CB -0.845 38.148 39.000 -0.011 0.000 1.053 614 F HN 0.191 nan 8.300 nan 0.000 0.521 615 D N -0.612 119.983 120.400 0.324 0.000 2.219 615 D HA -0.117 4.630 4.640 0.179 0.000 0.205 615 D C 2.148 178.619 176.300 0.284 0.000 0.970 615 D CA 0.838 55.059 54.000 0.370 0.000 0.851 615 D CB -0.060 40.948 40.800 0.347 0.000 0.943 615 D HN 0.032 nan 8.370 nan 0.000 0.488 616 M N -0.198 119.442 119.600 0.066 0.000 2.619 616 M HA 0.119 4.707 4.480 0.179 0.000 0.251 616 M C 1.893 178.194 176.300 0.002 0.000 1.106 616 M CA 0.168 55.451 55.300 -0.028 0.000 1.086 616 M CB -0.758 31.716 32.600 -0.211 0.000 1.465 616 M HN -0.048 nan 8.290 nan 0.000 0.506 617 A N -1.212 121.604 122.820 -0.006 0.000 2.015 617 A HA -0.112 4.315 4.320 0.179 0.000 0.219 617 A C 1.084 178.571 177.584 -0.163 0.000 1.163 617 A CA 0.756 52.697 52.037 -0.160 0.000 0.646 617 A CB -0.737 18.008 19.000 -0.426 0.000 0.806 617 A HN 0.646 nan 8.150 nan 0.000 0.448 618 W N -0.324 121.077 121.300 0.167 0.000 3.086 618 W HA 0.482 5.248 4.660 0.178 0.000 0.436 618 W C 0.529 177.096 176.519 0.080 0.000 0.939 618 W CA 0.295 57.719 57.345 0.131 0.000 2.108 618 W CB 0.206 29.778 29.460 0.187 0.000 1.093 618 W HN 0.112 nan 8.180 nan 0.000 0.783 619 T N -0.568 114.098 114.554 0.186 0.000 2.932 619 T HA 0.357 4.815 4.350 0.179 0.000 0.318 619 T C 0.366 175.084 174.700 0.030 0.000 1.265 619 T CA -0.543 61.621 62.100 0.107 0.000 1.036 619 T CB 1.402 70.341 68.868 0.117 0.000 1.209 619 T HN 0.070 nan 8.240 nan 0.000 0.484 620 R N 1.257 121.752 120.500 -0.009 0.000 2.362 620 R HA 0.296 4.743 4.340 0.179 0.000 0.227 620 R C -0.399 175.885 176.300 -0.027 0.000 0.905 620 R CA -0.063 56.006 56.100 -0.052 0.000 1.067 620 R CB 0.423 30.677 30.300 -0.077 0.000 1.078 620 R HN 0.560 nan 8.270 nan 0.000 0.516 621 D N 0.732 121.132 120.400 -0.001 0.000 2.342 621 D HA 0.128 4.875 4.640 0.179 0.000 0.243 621 D C -0.454 175.851 176.300 0.008 0.000 1.019 621 D CA -0.555 53.449 54.000 0.006 0.000 0.864 621 D CB 1.348 42.159 40.800 0.019 0.000 1.315 621 D HN -0.082 nan 8.370 nan 0.000 0.468 622 Q N 0.680 120.484 119.800 0.007 0.000 2.315 622 Q HA 0.241 4.688 4.340 0.179 0.000 0.289 622 Q C 0.292 176.313 176.000 0.036 0.000 1.044 622 Q CA 0.288 56.097 55.803 0.010 0.000 0.920 622 Q CB 0.815 29.565 28.738 0.020 0.000 1.214 622 Q HN 0.485 nan 8.270 nan 0.000 0.392 623 I N -1.286 119.309 120.570 0.041 0.000 3.100 623 I HA 0.461 4.739 4.170 0.179 0.000 0.312 623 I C -0.277 175.910 176.117 0.117 0.000 1.063 623 I CA -1.187 60.161 61.300 0.079 0.000 1.031 623 I CB 1.522 39.576 38.000 0.091 0.000 1.243 623 I HN 0.341 nan 8.210 nan 0.000 0.483 624 N N 1.996 120.776 118.700 0.132 0.000 2.437 624 N HA 0.161 5.008 4.740 0.179 0.000 0.243 624 N C 0.359 175.972 175.510 0.171 0.000 1.041 624 N CA -0.378 52.751 53.050 0.131 0.000 0.940 624 N CB 0.649 39.175 38.487 0.064 0.000 1.133 624 N HN 0.753 nan 8.380 nan 0.000 0.506 625 F N 3.854 123.857 119.950 0.088 0.000 2.365 625 F HA 0.091 4.725 4.527 0.178 0.000 0.300 625 F C 1.637 177.561 175.800 0.206 0.000 1.090 625 F CA 0.503 58.569 58.000 0.109 0.000 1.408 625 F CB 0.075 39.092 39.000 0.028 0.000 1.060 625 F HN 0.293 nan 8.300 nan 0.000 0.534 626 R N 0.727 120.828 120.500 -0.666 0.000 2.062 626 R HA -0.054 4.394 4.340 0.179 0.000 0.229 626 R C 2.303 178.532 176.300 -0.118 0.000 1.128 626 R CA 1.885 57.699 56.100 -0.476 0.000 0.960 626 R CB -1.035 28.949 30.300 -0.527 0.000 0.855 626 R HN 0.509 nan 8.270 nan 0.000 0.432 627 T N -2.539 111.983 114.554 -0.052 0.000 3.043 627 T HA -0.117 4.340 4.350 0.179 0.000 0.263 627 T C 1.534 176.261 174.700 0.045 0.000 1.094 627 T CA 0.155 62.252 62.100 -0.006 0.000 1.127 627 T CB -0.240 68.626 68.868 -0.002 0.000 0.905 627 T HN 0.465 nan 8.240 nan 0.000 0.490 628 W N 2.327 123.601 121.300 -0.043 0.000 2.388 628 W HA -0.067 4.699 4.660 0.177 0.000 0.294 628 W C 2.034 178.544 176.519 -0.014 0.000 1.212 628 W CA 1.483 58.821 57.345 -0.013 0.000 1.271 628 W CB -0.323 29.149 29.460 0.020 0.000 1.126 628 W HN 0.142 nan 8.180 nan 0.000 0.535 629 T N 0.262 114.970 114.554 0.257 0.000 2.674 629 T HA -0.301 4.157 4.350 0.179 0.000 0.265 629 T C 1.513 176.111 174.700 -0.169 0.000 1.039 629 T CA 1.801 63.937 62.100 0.061 0.000 1.150 629 T CB -0.680 68.289 68.868 0.169 0.000 0.864 629 T HN 0.366 nan 8.240 nan 0.000 0.427 630 E N 0.967 121.101 120.200 -0.110 0.000 2.086 630 E HA -0.292 4.165 4.350 0.179 0.000 0.205 630 E C 1.735 178.199 176.600 -0.226 0.000 1.027 630 E CA 1.960 58.276 56.400 -0.138 0.000 0.830 630 E CB -0.148 29.503 29.700 -0.083 0.000 0.751 630 E HN 0.367 nan 8.360 nan 0.000 0.456 631 D N -0.597 119.645 120.400 -0.263 0.000 2.104 631 D HA -0.192 4.555 4.640 0.179 0.000 0.194 631 D C 1.714 177.748 176.300 -0.444 0.000 0.994 631 D CA 1.294 55.093 54.000 -0.336 0.000 0.830 631 D CB -0.722 39.867 40.800 -0.352 0.000 0.959 631 D HN 0.347 nan 8.370 nan 0.000 0.452 632 Y N 2.068 121.909 120.300 -0.764 0.000 2.114 632 Y HA -0.241 4.415 4.550 0.178 0.000 0.282 632 Y C 2.218 177.738 175.900 -0.633 0.000 1.165 632 Y CA 1.770 59.374 58.100 -0.825 0.000 1.148 632 Y CB -0.525 37.235 38.460 -1.165 0.000 0.972 632 Y HN 0.081 nan 8.280 nan 0.000 0.504 633 I N -1.491 118.631 120.570 -0.746 0.000 2.394 633 I HA -0.160 4.117 4.170 0.179 0.000 0.251 633 I C 2.252 177.912 176.117 -0.760 0.000 1.136 633 I CA 2.036 62.744 61.300 -0.987 0.000 1.425 633 I CB -0.746 36.706 38.000 -0.913 0.000 1.079 633 I HN 0.331 nan 8.210 nan 0.000 0.425 634 E N 2.376 122.300 120.200 -0.461 0.000 2.106 634 E HA -0.233 4.224 4.350 0.179 0.000 0.192 634 E C 2.415 178.850 176.600 -0.275 0.000 0.984 634 E CA 1.411 57.646 56.400 -0.275 0.000 0.806 634 E CB 0.003 29.578 29.700 -0.207 0.000 0.750 634 E HN 0.699 nan 8.360 nan 0.000 0.458 635 R N -0.011 120.268 120.500 -0.368 0.000 2.200 635 R HA 0.034 4.481 4.340 0.179 0.000 0.208 635 R C 2.339 178.456 176.300 -0.305 0.000 1.033 635 R CA 0.718 56.633 56.100 -0.308 0.000 1.000 635 R CB -0.274 29.837 30.300 -0.316 0.000 0.906 635 R HN -0.015 nan 8.270 nan 0.000 0.462 636 R N 0.070 120.280 120.500 -0.483 0.000 2.093 636 R HA -0.067 4.380 4.340 0.179 0.000 0.224 636 R C 0.798 177.074 176.300 -0.041 0.000 1.101 636 R CA 1.147 56.998 56.100 -0.416 0.000 0.979 636 R CB 0.016 29.812 30.300 -0.840 0.000 0.877 636 R HN 0.254 nan 8.270 nan 0.000 0.441 637 Y N -0.946 119.304 120.300 -0.084 0.000 2.478 637 Y HA 0.367 5.023 4.550 0.178 0.000 0.261 637 Y C 1.609 177.503 175.900 -0.010 0.000 1.127 637 Y CA 0.030 58.160 58.100 0.050 0.000 1.288 637 Y CB 0.307 38.883 38.460 0.194 0.000 1.084 637 Y HN 0.368 nan 8.280 nan 0.000 0.530 638 G N 0.883 109.715 108.800 0.052 0.000 2.179 638 G HA2 -0.287 3.780 3.960 0.179 0.000 0.260 638 G HA3 -0.287 3.780 3.960 0.179 0.000 0.260 638 G C 0.175 175.041 174.900 -0.057 0.000 0.977 638 G CA 0.486 45.566 45.100 -0.034 0.000 0.641 638 G HN 0.556 nan 8.290 nan 0.000 0.533 639 K N -2.358 118.047 120.400 0.009 0.000 2.870 639 K HA 0.679 5.106 4.320 0.179 0.000 0.290 639 K C -1.155 175.563 176.600 0.197 0.000 1.070 639 K CA -0.338 55.946 56.287 -0.005 0.000 0.843 639 K CB 0.906 33.300 32.500 -0.177 0.000 1.475 639 K HN 0.663 nan 8.250 nan 0.000 0.359 640 T N -0.094 114.554 114.554 0.156 0.000 2.843 640 T HA 0.626 5.084 4.350 0.179 0.000 0.302 640 T C -1.839 172.975 174.700 0.191 0.000 1.232 640 T CA -0.389 61.847 62.100 0.226 0.000 1.009 640 T CB 1.451 70.351 68.868 0.054 0.000 1.254 640 T HN 0.954 nan 8.240 nan 0.000 0.504 641 N N 0.708 119.506 118.700 0.163 0.000 3.278 641 N HA 0.437 5.284 4.740 0.179 0.000 0.307 641 N C 0.546 176.079 175.510 0.039 0.000 1.551 641 N CA -0.899 52.204 53.050 0.088 0.000 0.794 641 N CB 0.675 39.230 38.487 0.114 0.000 1.770 641 N HN 0.519 nan 8.380 nan 0.000 0.612 642 K N -0.342 120.073 120.400 0.025 0.000 2.057 642 K HA -0.010 4.418 4.320 0.179 0.000 0.206 642 K C 1.116 177.726 176.600 0.017 0.000 1.050 642 K CA 1.474 57.771 56.287 0.018 0.000 0.935 642 K CB -0.049 32.459 32.500 0.012 0.000 0.715 642 K HN 0.568 nan 8.250 nan 0.000 0.439 643 E N 0.280 120.482 120.200 0.003 0.000 2.072 643 E HA -0.142 4.315 4.350 0.179 0.000 0.190 643 E C 1.944 178.529 176.600 -0.025 0.000 0.982 643 E CA 0.756 57.149 56.400 -0.012 0.000 0.803 643 E CB 0.053 29.736 29.700 -0.028 0.000 0.755 643 E HN 0.219 nan 8.360 nan 0.000 0.453 644 I N 1.450 121.969 120.570 -0.086 0.000 2.208 644 I HA -0.270 4.008 4.170 0.179 0.000 0.245 644 I C 2.448 178.658 176.117 0.155 0.000 1.097 644 I CA 1.189 62.438 61.300 -0.086 0.000 1.363 644 I CB -1.016 36.812 38.000 -0.286 0.000 1.051 644 I HN 0.234 nan 8.210 nan 0.000 0.413 645 L N 0.947 122.236 121.223 0.111 0.000 2.017 645 L HA -0.249 4.199 4.340 0.179 0.000 0.208 645 L C 2.695 179.660 176.870 0.159 0.000 1.073 645 L CA 2.012 56.938 54.840 0.143 0.000 0.745 645 L CB -0.247 41.851 42.059 0.066 0.000 0.894 645 L HN 0.398 nan 8.230 nan 0.000 0.432 646 E N -0.101 120.156 120.200 0.095 0.000 2.106 646 E HA -0.202 4.255 4.350 0.179 0.000 0.192 646 E C 1.997 178.638 176.600 0.069 0.000 0.984 646 E CA 1.155 57.599 56.400 0.072 0.000 0.806 646 E CB -0.351 29.372 29.700 0.039 0.000 0.750 646 E HN 0.447 nan 8.360 nan 0.000 0.458 647 A N 0.802 123.668 122.820 0.076 0.000 1.902 647 A HA -0.136 4.292 4.320 0.179 0.000 0.217 647 A C 1.863 179.412 177.584 -0.059 0.000 1.181 647 A CA 1.342 53.389 52.037 0.017 0.000 0.623 647 A CB -1.161 17.933 19.000 0.156 0.000 0.818 647 A HN 0.559 nan 8.150 nan 0.000 0.443 648 W N 0.355 121.719 121.300 0.106 0.000 2.418 648 W HA -0.082 4.687 4.660 0.181 0.000 0.292 648 W C 2.183 178.733 176.519 0.051 0.000 1.213 648 W CA 1.030 58.426 57.345 0.086 0.000 1.283 648 W CB -0.100 29.434 29.460 0.123 0.000 1.119 648 W HN 0.328 nan 8.180 nan 0.000 0.542 649 N N 0.458 119.313 118.700 0.259 0.000 2.120 649 N HA -0.166 4.681 4.740 0.179 0.000 0.188 649 N C 1.579 177.157 175.510 0.112 0.000 1.024 649 N CA 1.637 54.787 53.050 0.167 0.000 0.852 649 N CB -0.736 37.817 38.487 0.109 0.000 1.003 649 N HN 0.189 nan 8.380 nan 0.000 0.424 650 I N 1.123 121.722 120.570 0.048 0.000 2.163 650 I HA -0.270 4.007 4.170 0.179 0.000 0.243 650 I C 2.039 178.149 176.117 -0.012 0.000 1.085 650 I CA 1.012 62.313 61.300 0.001 0.000 1.347 650 I CB -0.241 37.717 38.000 -0.069 0.000 1.044 650 I HN 0.045 nan 8.210 nan 0.000 0.408 651 I N 0.284 120.796 120.570 -0.097 0.000 2.163 651 I HA -0.321 3.956 4.170 0.179 0.000 0.243 651 I C 2.435 178.564 176.117 0.019 0.000 1.085 651 I CA 1.527 62.736 61.300 -0.152 0.000 1.347 651 I CB -0.397 37.277 38.000 -0.543 0.000 1.044 651 I HN 0.195 nan 8.210 nan 0.000 0.408 652 L N 0.239 121.581 121.223 0.199 0.000 2.127 652 L HA -0.243 4.205 4.340 0.179 0.000 0.211 652 L C 1.829 178.866 176.870 0.279 0.000 1.089 652 L CA 1.215 56.273 54.840 0.363 0.000 0.757 652 L CB -0.667 41.642 42.059 0.415 0.000 0.899 652 L HN 0.309 nan 8.230 nan 0.000 0.434 653 D N -1.184 119.321 120.400 0.176 0.000 2.317 653 D HA -0.066 4.681 4.640 0.179 0.000 0.211 653 D C 1.812 178.172 176.300 0.099 0.000 0.966 653 D CA 1.390 55.475 54.000 0.143 0.000 0.876 653 D CB 0.208 41.077 40.800 0.114 0.000 0.927 653 D HN 0.468 nan 8.370 nan 0.000 0.519 654 T N -1.974 112.594 114.554 0.022 0.000 3.422 654 T HA 0.354 4.812 4.350 0.179 0.000 0.192 654 T C 2.056 176.501 174.700 -0.424 0.000 0.857 654 T CA 0.506 62.508 62.100 -0.163 0.000 1.400 654 T CB -0.513 68.233 68.868 -0.204 0.000 1.864 654 T HN -0.099 nan 8.240 nan 0.000 0.415 655 A N 0.307 122.690 122.820 -0.729 0.000 1.972 655 A HA 0.067 4.494 4.320 0.179 0.000 0.219 655 A C 1.823 179.520 177.584 0.188 0.000 1.169 655 A CA 1.231 52.948 52.037 -0.534 0.000 0.635 655 A CB -1.034 17.656 19.000 -0.516 0.000 0.810 655 A HN 0.669 nan 8.150 nan 0.000 0.446 656 Y N -0.577 119.710 120.300 -0.022 0.000 2.458 656 Y HA 0.278 4.933 4.550 0.175 0.000 0.256 656 Y C 0.816 176.769 175.900 0.088 0.000 1.159 656 Y CA -0.857 57.302 58.100 0.099 0.000 1.261 656 Y CB -0.371 38.222 38.460 0.222 0.000 1.119 656 Y HN 0.250 nan 8.280 nan 0.000 0.524 657 K N 2.191 122.714 120.400 0.205 0.000 2.448 657 K HA -0.016 4.411 4.320 0.179 0.000 0.278 657 K C 0.475 177.115 176.600 0.066 0.000 1.009 657 K CA -0.236 56.137 56.287 0.144 0.000 0.995 657 K CB 0.517 33.093 32.500 0.128 0.000 0.917 657 K HN 0.009 nan 8.250 nan 0.000 0.481 658 K N 3.548 123.956 120.400 0.014 0.000 2.524 658 K HA -0.096 4.331 4.320 0.179 0.000 0.279 658 K C -0.530 176.072 176.600 0.004 0.000 0.993 658 K CA 0.451 56.722 56.287 -0.027 0.000 1.030 658 K CB 0.433 32.892 32.500 -0.068 0.000 0.891 658 K HN 0.732 nan 8.250 nan 0.000 0.488 659 R N 1.894 122.398 120.500 0.007 0.000 2.808 659 R HA 0.355 4.802 4.340 0.179 0.000 0.272 659 R C -0.497 175.830 176.300 0.045 0.000 0.995 659 R CA -1.024 55.077 56.100 0.001 0.000 0.917 659 R CB 0.995 31.241 30.300 -0.090 0.000 1.217 659 R HN 0.475 nan 8.270 nan 0.000 0.471 660 N N 0.470 119.193 118.700 0.038 0.000 2.197 660 N HA 0.028 4.875 4.740 0.179 0.000 0.228 660 N C -1.118 174.429 175.510 0.063 0.000 1.212 660 N CA -0.022 53.056 53.050 0.047 0.000 0.883 660 N CB 0.508 39.011 38.487 0.027 0.000 1.107 660 N HN 0.715 nan 8.380 nan 0.000 0.519 661 D N -0.445 120.011 120.400 0.092 0.000 2.529 661 D HA 0.053 4.800 4.640 0.179 0.000 0.273 661 D C -0.426 176.014 176.300 0.233 0.000 1.197 661 D CA -0.470 53.605 54.000 0.124 0.000 1.070 661 D CB 0.588 41.430 40.800 0.070 0.000 1.134 661 D HN -0.025 nan 8.370 nan 0.000 0.590 662 Y N 0.184 120.533 120.300 0.082 0.000 2.330 662 Y HA 0.463 5.119 4.550 0.178 0.000 0.336 662 Y C -1.188 174.765 175.900 0.090 0.000 1.036 662 Y CA -0.585 57.526 58.100 0.019 0.000 1.125 662 Y CB 0.933 39.371 38.460 -0.038 0.000 1.194 662 Y HN 0.427 nan 8.280 nan 0.000 0.469 663 Y N 1.774 121.706 120.300 -0.613 0.000 2.565 663 Y HA 0.439 5.095 4.550 0.175 0.000 0.330 663 Y C -1.818 173.816 175.900 -0.443 0.000 1.150 663 Y CA -1.311 56.463 58.100 -0.543 0.000 1.055 663 Y CB 1.138 39.167 38.460 -0.718 0.000 1.337 663 Y HN 0.501 nan 8.280 nan 0.000 0.457 664 Q N 3.013 122.623 119.800 -0.317 0.000 2.506 664 Q HA 0.543 4.990 4.340 0.179 0.000 0.242 664 Q C 0.157 175.920 176.000 -0.396 0.000 1.060 664 Q CA -0.097 55.214 55.803 -0.821 0.000 0.826 664 Q CB 1.503 29.588 28.738 -1.088 0.000 1.169 664 Q HN 1.246 nan 8.270 nan 0.000 0.521 665 G N 1.650 110.461 108.800 0.018 0.000 2.660 665 G HA2 -0.143 3.925 3.960 0.179 0.000 0.215 665 G HA3 -0.143 3.925 3.960 0.179 0.000 0.215 665 G C -0.549 174.504 174.900 0.255 0.000 1.345 665 G CA -0.625 44.604 45.100 0.215 0.000 0.877 665 G HN 0.734 nan 8.290 nan 0.000 0.549 666 A N -0.091 122.758 122.820 0.048 0.000 2.440 666 A HA 0.798 5.225 4.320 0.179 0.000 0.251 666 A C 1.224 178.661 177.584 -0.246 0.000 1.089 666 A CA 1.271 53.302 52.037 -0.011 0.000 0.779 666 A CB 0.104 19.086 19.000 -0.030 0.000 1.022 666 A HN 2.575 nan 8.150 nan 0.000 0.492 667 A N 2.901 125.542 122.820 -0.298 0.000 2.580 667 A HA 0.229 4.656 4.320 0.179 0.000 0.244 667 A C 0.429 177.777 177.584 -0.393 0.000 1.045 667 A CA 0.411 52.124 52.037 -0.541 0.000 0.761 667 A CB -0.273 18.573 19.000 -0.256 0.000 0.962 667 A HN 0.823 nan 8.150 nan 0.000 0.512 668 E N 1.689 121.631 120.200 -0.429 0.000 2.331 668 E HA 0.275 4.732 4.350 0.179 0.000 0.272 668 E C 0.014 176.450 176.600 -0.274 0.000 1.036 668 E CA -0.214 55.991 56.400 -0.324 0.000 0.864 668 E CB 1.076 30.593 29.700 -0.306 0.000 1.035 668 E HN 0.611 nan 8.360 nan 0.000 0.408 669 S N 2.345 117.877 115.700 -0.280 0.000 2.528 669 S HA 0.026 4.603 4.470 0.179 0.000 0.277 669 S C 0.978 175.419 174.600 -0.265 0.000 1.297 669 S CA -0.470 57.566 58.200 -0.274 0.000 1.052 669 S CB 0.452 63.466 63.200 -0.311 0.000 0.917 669 S HN 0.538 nan 8.310 nan 0.000 0.492 670 I N 6.541 126.968 120.570 -0.238 0.000 2.493 670 I HA -0.067 4.211 4.170 0.179 0.000 0.254 670 I C 1.687 177.747 176.117 -0.095 0.000 1.160 670 I CA 1.239 62.408 61.300 -0.217 0.000 1.445 670 I CB -0.291 37.526 38.000 -0.305 0.000 1.086 670 I HN 0.838 nan 8.210 nan 0.000 0.433 671 I N 0.806 121.243 120.570 -0.222 0.000 2.194 671 I HA -0.340 3.938 4.170 0.179 0.000 0.246 671 I C 1.454 177.536 176.117 -0.058 0.000 1.093 671 I CA 1.518 62.704 61.300 -0.190 0.000 1.355 671 I CB -0.739 37.049 38.000 -0.353 0.000 1.046 671 I HN 0.301 nan 8.210 nan 0.000 0.413 672 N N 0.759 119.238 118.700 -0.368 0.000 2.461 672 N HA 0.139 4.987 4.740 0.179 0.000 0.188 672 N C 0.284 175.659 175.510 -0.225 0.000 1.134 672 N CA 0.256 52.913 53.050 -0.654 0.000 0.878 672 N CB 0.041 38.064 38.487 -0.773 0.000 0.972 672 N HN 0.256 nan 8.380 nan 0.000 0.456 673 A N 0.363 123.095 122.820 -0.148 0.000 2.302 673 A HA 0.447 4.874 4.320 0.179 0.000 0.285 673 A C 0.313 177.586 177.584 -0.518 0.000 1.105 673 A CA -0.534 51.351 52.037 -0.253 0.000 0.816 673 A CB 0.499 19.351 19.000 -0.247 0.000 1.067 673 A HN 0.159 nan 8.150 nan 0.000 0.489 674 R N 1.525 121.648 120.500 -0.629 0.000 2.421 674 R HA 0.252 4.700 4.340 0.179 0.000 0.305 674 R C -2.449 173.053 176.300 -1.330 0.000 1.039 674 R CA -0.983 54.482 56.100 -1.057 0.000 1.003 674 R CB 0.074 29.890 30.300 -0.807 0.000 0.959 674 R HN 0.446 nan 8.270 nan 0.000 0.427 675 P HA 0.210 nan 4.420 nan 0.000 0.269 675 P C -0.449 175.915 177.300 -1.560 0.000 1.209 675 P CA -0.010 61.718 63.100 -2.288 0.000 0.776 675 P CB 1.265 31.468 31.700 -2.495 0.000 0.876 676 G N 0.386 108.278 108.800 -1.513 0.000 2.317 676 G HA2 0.399 4.466 3.960 0.179 0.000 0.293 676 G HA3 0.399 4.466 3.960 0.179 0.000 0.293 676 G C -1.950 172.744 174.900 -0.344 0.000 1.287 676 G CA -0.737 44.023 45.100 -0.567 0.000 0.850 676 G HN 0.229 nan 8.290 nan 0.000 0.515 677 F N 0.452 120.536 119.950 0.224 0.000 2.458 677 F HA 0.576 5.226 4.527 0.205 0.000 0.330 677 F C 1.239 177.142 175.800 0.171 0.000 1.082 677 F CA 0.588 58.741 58.000 0.256 0.000 0.995 677 F CB 2.117 41.253 39.000 0.226 0.000 1.170 677 F HN 1.475 nan 8.300 nan 0.000 0.478 678 G N 2.415 111.431 108.800 0.359 0.000 2.198 678 G HA2 -0.307 3.760 3.960 0.179 0.000 0.260 678 G HA3 -0.307 3.760 3.960 0.179 0.000 0.260 678 G C -0.048 174.946 174.900 0.157 0.000 1.025 678 G CA -0.415 44.820 45.100 0.224 0.000 0.769 678 G HN 0.592 nan 8.290 nan 0.000 0.507 679 I N -0.549 120.126 120.570 0.176 0.000 2.668 679 I HA 0.197 4.474 4.170 0.179 0.000 0.285 679 I C 1.142 177.266 176.117 0.011 0.000 1.168 679 I CA 0.570 61.876 61.300 0.010 0.000 1.424 679 I CB 0.985 38.891 38.000 -0.156 0.000 1.377 679 I HN -0.005 nan 8.210 nan 0.000 0.560 680 K N 3.945 124.327 120.400 -0.030 0.000 2.592 680 K HA 0.242 4.670 4.320 0.179 0.000 0.203 680 K C -0.935 175.631 176.600 -0.057 0.000 1.070 680 K CA -0.142 56.131 56.287 -0.024 0.000 1.062 680 K CB 0.596 33.096 32.500 0.000 0.000 0.814 680 K HN 0.761 nan 8.250 nan 0.000 0.502 681 S N -2.960 112.676 115.700 -0.107 0.000 2.735 681 S HA 0.472 5.049 4.470 0.179 0.000 0.279 681 S C -0.106 174.389 174.600 -0.175 0.000 0.989 681 S CA -0.468 57.652 58.200 -0.134 0.000 0.883 681 S CB 0.566 63.703 63.200 -0.104 0.000 1.117 681 S HN -0.074 nan 8.310 nan 0.000 0.458 682 A N 1.404 124.111 122.820 -0.189 0.000 1.993 682 A HA 0.626 5.054 4.320 0.179 0.000 0.207 682 A C 1.141 178.628 177.584 -0.162 0.000 1.224 682 A CA 1.035 52.955 52.037 -0.195 0.000 0.749 682 A CB -0.709 18.164 19.000 -0.212 0.000 0.884 682 A HN 1.944 nan 8.150 nan 0.000 0.467 683 S N -1.776 113.832 115.700 -0.153 0.000 2.638 683 S HA 0.417 4.995 4.470 0.179 0.000 0.298 683 S C 0.802 175.309 174.600 -0.155 0.000 1.111 683 S CA 0.294 58.428 58.200 -0.111 0.000 1.027 683 S CB 1.182 64.314 63.200 -0.115 0.000 1.064 683 S HN 0.157 nan 8.310 nan 0.000 0.525 684 T N 0.917 115.306 114.554 -0.275 0.000 2.665 684 T HA -0.094 4.363 4.350 0.179 0.000 0.268 684 T C 0.652 175.014 174.700 -0.564 0.000 1.035 684 T CA 1.560 63.280 62.100 -0.633 0.000 1.151 684 T CB -0.322 67.744 68.868 -1.336 0.000 0.862 684 T HN 0.770 nan 8.240 nan 0.000 0.438 685 W N 1.725 123.057 121.300 0.053 0.000 3.316 685 W HA 0.467 5.236 4.660 0.182 0.000 0.327 685 W C 1.177 177.709 176.519 0.022 0.000 1.232 685 W CA -0.902 56.482 57.345 0.064 0.000 1.805 685 W CB -0.556 28.989 29.460 0.142 0.000 1.090 685 W HN 0.202 nan 8.180 nan 0.000 0.654 686 G N 0.844 109.710 108.800 0.110 0.000 2.563 686 G HA2 0.357 4.424 3.960 0.179 0.000 0.283 686 G HA3 0.357 4.424 3.960 0.179 0.000 0.283 686 G C -0.690 174.277 174.900 0.112 0.000 1.309 686 G CA -0.148 44.982 45.100 0.049 0.000 1.022 686 G HN 0.283 nan 8.290 nan 0.000 0.501 687 H N -2.896 116.137 119.070 -0.061 0.000 3.046 687 H HA 0.475 5.145 4.556 0.192 0.000 0.363 687 H C -0.318 174.962 175.328 -0.079 0.000 1.203 687 H CA -0.251 55.767 56.048 -0.049 0.000 1.169 687 H CB 1.325 31.083 29.762 -0.007 0.000 1.851 687 H HN 0.548 nan 8.280 nan 0.000 0.546 688 S N 1.157 116.798 115.700 -0.099 0.000 2.603 688 S HA 0.088 4.665 4.470 0.179 0.000 0.232 688 S C 0.556 175.094 174.600 -0.102 0.000 1.016 688 S CA -0.495 57.606 58.200 -0.165 0.000 0.976 688 S CB 0.202 63.318 63.200 -0.141 0.000 0.921 688 S HN 0.478 nan 8.310 nan 0.000 0.516 689 K N 2.968 123.363 120.400 -0.010 0.000 2.378 689 K HA 0.221 4.648 4.320 0.179 0.000 0.288 689 K C -0.437 176.115 176.600 -0.079 0.000 1.057 689 K CA -0.406 55.865 56.287 -0.026 0.000 0.971 689 K CB -0.163 32.342 32.500 0.009 0.000 0.975 689 K HN 0.200 nan 8.250 nan 0.000 0.475 690 I N 6.170 126.626 120.570 -0.189 0.000 2.416 690 I HA 0.022 4.299 4.170 0.179 0.000 0.288 690 I C 0.824 176.731 176.117 -0.350 0.000 1.051 690 I CA -0.086 60.983 61.300 -0.385 0.000 1.375 690 I CB 1.325 38.984 38.000 -0.568 0.000 1.407 690 I HN 0.500 nan 8.210 nan 0.000 0.516 691 V N 8.341 128.067 119.914 -0.312 0.000 3.621 691 V HA 0.035 4.262 4.120 0.179 0.000 0.285 691 V C -0.130 175.950 176.094 -0.023 0.000 1.346 691 V CA 0.237 62.464 62.300 -0.122 0.000 1.104 691 V CB -0.527 31.257 31.823 -0.064 0.000 0.913 691 V HN 0.691 nan 8.190 nan 0.000 0.432 692 Y N -2.262 118.015 120.300 -0.037 0.000 2.598 692 Y HA 0.709 5.367 4.550 0.180 0.000 0.340 692 Y C -0.258 175.647 175.900 0.007 0.000 1.038 692 Y CA -2.419 55.676 58.100 -0.008 0.000 1.100 692 Y CB 0.388 38.842 38.460 -0.009 0.000 1.281 692 Y HN 0.048 nan 8.280 nan 0.000 0.488 693 D N 1.274 121.815 120.400 0.235 0.000 2.401 693 D HA 0.116 4.863 4.640 0.179 0.000 0.254 693 D C 0.526 176.978 176.300 0.252 0.000 1.192 693 D CA 0.135 54.234 54.000 0.165 0.000 0.885 693 D CB 0.957 41.844 40.800 0.146 0.000 1.147 693 D HN 0.651 nan 8.370 nan 0.000 0.478 694 K N 1.299 121.780 120.400 0.135 0.000 2.057 694 K HA -0.081 4.346 4.320 0.179 0.000 0.206 694 K C 1.877 178.607 176.600 0.217 0.000 1.050 694 K CA 0.789 57.184 56.287 0.179 0.000 0.935 694 K CB 0.110 32.651 32.500 0.069 0.000 0.715 694 K HN 0.306 nan 8.250 nan 0.000 0.439 695 S N 1.027 116.815 115.700 0.146 0.000 2.402 695 S HA -0.138 4.439 4.470 0.179 0.000 0.229 695 S C 1.833 176.499 174.600 0.110 0.000 1.021 695 S CA 1.200 59.469 58.200 0.113 0.000 0.974 695 S CB -0.082 63.167 63.200 0.082 0.000 0.800 695 S HN 0.281 nan 8.310 nan 0.000 0.484 696 E N 1.305 121.588 120.200 0.138 0.000 2.047 696 E HA -0.086 4.371 4.350 0.179 0.000 0.191 696 E C 1.631 178.304 176.600 0.122 0.000 0.987 696 E CA 1.000 57.471 56.400 0.118 0.000 0.799 696 E CB -0.483 29.296 29.700 0.131 0.000 0.752 696 E HN 0.435 nan 8.360 nan 0.000 0.449 697 F N 1.695 121.681 119.950 0.060 0.000 2.161 697 F HA -0.129 4.506 4.527 0.181 0.000 0.300 697 F C 1.850 177.628 175.800 -0.037 0.000 1.089 697 F CA 1.863 59.858 58.000 -0.009 0.000 1.282 697 F CB -0.158 38.892 39.000 0.084 0.000 1.010 697 F HN 0.091 nan 8.300 nan 0.000 0.485 698 E N 0.075 120.275 120.200 0.000 0.000 2.209 698 E HA -0.253 4.204 4.350 0.179 0.000 0.196 698 E C 2.047 178.552 176.600 -0.158 0.000 0.993 698 E CA 1.309 57.654 56.400 -0.093 0.000 0.819 698 E CB -0.159 29.559 29.700 0.032 0.000 0.745 698 E HN 0.503 nan 8.360 nan 0.000 0.477 699 K N 0.487 120.811 120.400 -0.128 0.000 2.063 699 K HA -0.153 4.274 4.320 0.179 0.000 0.208 699 K C 2.248 178.745 176.600 -0.172 0.000 1.048 699 K CA 1.086 57.310 56.287 -0.106 0.000 0.928 699 K CB -0.191 32.275 32.500 -0.057 0.000 0.713 699 K HN 0.066 nan 8.250 nan 0.000 0.442 700 A N 1.351 123.975 122.820 -0.326 0.000 1.948 700 A HA -0.199 4.228 4.320 0.179 0.000 0.220 700 A C 2.092 179.435 177.584 -0.402 0.000 1.177 700 A CA 1.589 53.368 52.037 -0.429 0.000 0.636 700 A CB -0.511 18.022 19.000 -0.778 0.000 0.815 700 A HN 0.152 nan 8.150 nan 0.000 0.449 701 I N 0.028 120.361 120.570 -0.395 0.000 2.286 701 I HA -0.198 4.079 4.170 0.179 0.000 0.245 701 I C 2.378 178.487 176.117 -0.015 0.000 1.104 701 I CA 1.517 62.703 61.300 -0.190 0.000 1.397 701 I CB -0.474 37.461 38.000 -0.108 0.000 1.072 701 I HN 0.398 nan 8.210 nan 0.000 0.417 702 E N 0.602 120.786 120.200 -0.027 0.000 2.070 702 E HA -0.253 4.204 4.350 0.179 0.000 0.197 702 E C 2.329 178.945 176.600 0.025 0.000 1.004 702 E CA 1.700 58.112 56.400 0.019 0.000 0.805 702 E CB -0.380 29.322 29.700 0.003 0.000 0.744 702 E HN 0.479 nan 8.360 nan 0.000 0.451 703 I N 0.310 120.884 120.570 0.006 0.000 2.226 703 I HA -0.253 4.025 4.170 0.179 0.000 0.245 703 I C 2.185 178.303 176.117 0.001 0.000 1.100 703 I CA 1.006 62.314 61.300 0.013 0.000 1.374 703 I CB -0.260 37.751 38.000 0.018 0.000 1.057 703 I HN -0.015 nan 8.210 nan 0.000 0.413 704 F N 1.098 120.858 119.950 -0.316 0.000 2.134 704 F HA -0.225 4.412 4.527 0.183 0.000 0.299 704 F C 2.600 178.142 175.800 -0.429 0.000 1.097 704 F CA 1.394 59.057 58.000 -0.561 0.000 1.264 704 F CB -0.967 37.303 39.000 -1.217 0.000 1.001 704 F HN 0.007 nan 8.300 nan 0.000 0.479 705 A N -0.622 122.211 122.820 0.021 0.000 1.933 705 A HA -0.225 4.202 4.320 0.179 0.000 0.218 705 A C 2.252 179.970 177.584 0.224 0.000 1.175 705 A CA 1.744 53.972 52.037 0.319 0.000 0.628 705 A CB -0.710 18.483 19.000 0.322 0.000 0.814 705 A HN 0.326 nan 8.150 nan 0.000 0.444 706 K N -0.419 120.050 120.400 0.115 0.000 2.147 706 K HA -0.071 4.356 4.320 0.179 0.000 0.205 706 K C 0.991 177.635 176.600 0.074 0.000 1.049 706 K CA 1.406 57.741 56.287 0.081 0.000 0.936 706 K CB -0.081 32.442 32.500 0.038 0.000 0.722 706 K HN 0.497 nan 8.250 nan 0.000 0.446 707 N N -0.563 118.154 118.700 0.029 0.000 2.230 707 N HA -0.051 4.796 4.740 0.179 0.000 0.202 707 N C 0.822 176.339 175.510 0.012 0.000 1.119 707 N CA -0.010 53.029 53.050 -0.018 0.000 0.851 707 N CB 0.357 38.703 38.487 -0.235 0.000 0.990 707 N HN 0.196 nan 8.380 nan 0.000 0.497 708 Y N 2.405 122.759 120.300 0.089 0.000 2.081 708 Y HA -0.283 4.374 4.550 0.179 0.000 0.280 708 Y C 1.770 177.755 175.900 0.141 0.000 1.163 708 Y CA 1.933 60.199 58.100 0.278 0.000 1.135 708 Y CB -0.197 38.529 38.460 0.445 0.000 0.970 708 Y HN -0.045 nan 8.280 nan 0.000 0.498 709 D N -0.211 120.280 120.400 0.152 0.000 2.149 709 D HA -0.203 4.544 4.640 0.179 0.000 0.198 709 D C 2.130 178.341 176.300 -0.149 0.000 0.990 709 D CA 1.691 55.699 54.000 0.013 0.000 0.839 709 D CB -0.216 40.649 40.800 0.108 0.000 0.948 709 D HN 0.621 nan 8.370 nan 0.000 0.460 710 E N -1.301 118.814 120.200 -0.141 0.000 2.106 710 E HA -0.121 4.336 4.350 0.179 0.000 0.192 710 E C 1.041 177.320 176.600 -0.535 0.000 0.984 710 E CA 0.743 56.977 56.400 -0.276 0.000 0.806 710 E CB 0.005 29.578 29.700 -0.211 0.000 0.750 710 E HN 0.326 nan 8.360 nan 0.000 0.458 711 F N 0.439 119.982 119.950 -0.678 0.000 2.678 711 F HA 0.169 4.804 4.527 0.180 0.000 0.305 711 F C 1.737 177.104 175.800 -0.722 0.000 1.090 711 F CA -0.139 57.283 58.000 -0.963 0.000 1.272 711 F CB 0.424 38.247 39.000 -1.963 0.000 1.060 711 F HN -0.054 nan 8.300 nan 0.000 0.576 712 K N 0.522 120.658 120.400 -0.441 0.000 2.442 712 K HA -0.185 4.242 4.320 0.179 0.000 0.199 712 K C 0.917 177.450 176.600 -0.112 0.000 1.044 712 K CA 1.729 57.835 56.287 -0.302 0.000 0.941 712 K CB -0.574 31.551 32.500 -0.625 0.000 0.759 712 K HN 0.315 nan 8.250 nan 0.000 0.472 713 D N 0.957 121.269 120.400 -0.147 0.000 2.269 713 D HA -0.118 4.629 4.640 0.179 0.000 0.208 713 D C 0.564 176.848 176.300 -0.027 0.000 0.963 713 D CA 0.495 54.442 54.000 -0.089 0.000 0.864 713 D CB -0.087 40.631 40.800 -0.136 0.000 0.936 713 D HN 0.158 nan 8.370 nan 0.000 0.505 714 S N 0.440 116.142 115.700 0.003 0.000 2.452 714 S HA 0.112 4.689 4.470 0.179 0.000 0.284 714 S C 0.428 175.128 174.600 0.167 0.000 1.171 714 S CA -0.595 57.662 58.200 0.095 0.000 1.064 714 S CB 1.547 64.834 63.200 0.144 0.000 0.967 714 S HN -0.031 nan 8.310 nan 0.000 0.484 715 D N 4.670 125.152 120.400 0.137 0.000 2.178 715 D HA 0.019 4.766 4.640 0.179 0.000 0.202 715 D C 1.893 178.310 176.300 0.195 0.000 0.974 715 D CA 1.419 55.505 54.000 0.144 0.000 0.841 715 D CB -0.038 40.820 40.800 0.096 0.000 0.953 715 D HN 0.655 nan 8.370 nan 0.000 0.478 716 A N -0.541 122.406 122.820 0.213 0.000 2.014 716 A HA -0.053 4.374 4.320 0.179 0.000 0.218 716 A C 1.980 179.804 177.584 0.399 0.000 1.163 716 A CA 0.744 52.948 52.037 0.279 0.000 0.652 716 A CB -0.982 18.171 19.000 0.255 0.000 0.808 716 A HN 0.433 nan 8.150 nan 0.000 0.449 717 F N 0.862 120.847 119.950 0.059 0.000 2.102 717 F HA -0.134 4.502 4.527 0.182 0.000 0.298 717 F C 1.825 177.700 175.800 0.124 0.000 1.105 717 F CA 1.682 59.493 58.000 -0.315 0.000 1.239 717 F CB -0.334 38.344 39.000 -0.537 0.000 0.991 717 F HN 0.142 nan 8.300 nan 0.000 0.474 718 L N -0.842 120.435 121.223 0.090 0.000 2.012 718 L HA -0.267 4.181 4.340 0.179 0.000 0.210 718 L C 2.480 179.424 176.870 0.122 0.000 1.073 718 L CA 2.043 56.942 54.840 0.098 0.000 0.748 718 L CB -1.280 40.888 42.059 0.182 0.000 0.891 718 L HN 0.277 nan 8.230 nan 0.000 0.431 719 Y N 1.169 121.501 120.300 0.054 0.000 2.114 719 Y HA -0.344 4.316 4.550 0.183 0.000 0.282 719 Y C 2.320 178.317 175.900 0.161 0.000 1.165 719 Y CA 1.996 60.137 58.100 0.068 0.000 1.148 719 Y CB -0.046 38.469 38.460 0.092 0.000 0.972 719 Y HN 0.221 nan 8.280 nan 0.000 0.504 720 D N -0.402 120.312 120.400 0.523 0.000 2.149 720 D HA -0.167 4.580 4.640 0.179 0.000 0.201 720 D C 1.948 178.390 176.300 0.236 0.000 0.972 720 D CA 0.906 55.203 54.000 0.494 0.000 0.835 720 D CB -0.562 40.689 40.800 0.752 0.000 0.966 720 D HN 0.324 nan 8.370 nan 0.000 0.476 721 F N 1.961 121.866 119.950 -0.074 0.000 2.102 721 F HA -0.096 4.538 4.527 0.179 0.000 0.298 721 F C 2.229 177.954 175.800 -0.125 0.000 1.105 721 F CA 1.036 58.929 58.000 -0.179 0.000 1.239 721 F CB -0.879 37.933 39.000 -0.313 0.000 0.991 721 F HN -0.066 nan 8.300 nan 0.000 0.474 722 A N -0.045 122.792 122.820 0.028 0.000 1.908 722 A HA -0.231 4.196 4.320 0.179 0.000 0.218 722 A C 2.034 179.656 177.584 0.064 0.000 1.181 722 A CA 2.045 54.071 52.037 -0.019 0.000 0.627 722 A CB -1.022 17.974 19.000 -0.007 0.000 0.818 722 A HN 0.371 nan 8.150 nan 0.000 0.445 723 D N -0.000 120.450 120.400 0.084 0.000 2.097 723 D HA -0.153 4.594 4.640 0.179 0.000 0.195 723 D C 1.954 178.297 176.300 0.071 0.000 0.989 723 D CA 1.752 55.811 54.000 0.099 0.000 0.827 723 D CB -0.335 40.563 40.800 0.162 0.000 0.966 723 D HN 0.711 nan 8.370 nan 0.000 0.456 724 I N -1.768 118.814 120.570 0.019 0.000 2.500 724 I HA -0.066 4.211 4.170 0.179 0.000 0.252 724 I C 2.087 178.235 176.117 0.051 0.000 1.142 724 I CA 0.642 61.949 61.300 0.012 0.000 1.451 724 I CB -0.207 37.558 38.000 -0.391 0.000 1.093 724 I HN -0.087 nan 8.210 nan 0.000 0.430 725 L N 2.467 123.696 121.223 0.010 0.000 2.109 725 L HA -0.136 4.311 4.340 0.179 0.000 0.207 725 L C 2.609 179.454 176.870 -0.041 0.000 1.086 725 L CA 2.069 56.894 54.840 -0.025 0.000 0.760 725 L CB -0.762 41.212 42.059 -0.143 0.000 0.910 725 L HN 0.434 nan 8.230 nan 0.000 0.437 726 K N -1.635 118.736 120.400 -0.048 0.000 2.228 726 K HA -0.183 4.244 4.320 0.179 0.000 0.202 726 K C 2.053 178.605 176.600 -0.079 0.000 1.051 726 K CA 1.093 57.324 56.287 -0.095 0.000 0.960 726 K CB -0.393 32.029 32.500 -0.130 0.000 0.743 726 K HN 0.224 nan 8.250 nan 0.000 0.458 727 Q N 1.687 121.487 119.800 -0.001 0.000 2.084 727 Q HA -0.089 4.358 4.340 0.179 0.000 0.202 727 Q C 2.025 178.071 176.000 0.077 0.000 0.978 727 Q CA 1.497 57.316 55.803 0.026 0.000 0.844 727 Q CB -0.282 28.510 28.738 0.090 0.000 0.898 727 Q HN 0.507 nan 8.270 nan 0.000 0.426 728 L N -0.673 120.657 121.223 0.177 0.000 2.012 728 L HA -0.179 4.268 4.340 0.179 0.000 0.210 728 L C 2.003 178.879 176.870 0.011 0.000 1.073 728 L CA 1.438 56.372 54.840 0.156 0.000 0.748 728 L CB -0.215 41.909 42.059 0.108 0.000 0.891 728 L HN 0.332 nan 8.230 nan 0.000 0.431 729 L N -0.427 120.755 121.223 -0.069 0.000 2.093 729 L HA -0.131 4.316 4.340 0.179 0.000 0.208 729 L C 2.869 179.613 176.870 -0.211 0.000 1.085 729 L CA 0.898 55.637 54.840 -0.169 0.000 0.755 729 L CB -0.899 41.026 42.059 -0.224 0.000 0.904 729 L HN 0.369 nan 8.230 nan 0.000 0.435 730 A N 0.726 123.435 122.820 -0.185 0.000 1.873 730 A HA -0.264 4.163 4.320 0.179 0.000 0.218 730 A C 2.068 179.559 177.584 -0.155 0.000 1.193 730 A CA 2.256 54.173 52.037 -0.200 0.000 0.629 730 A CB -0.698 18.187 19.000 -0.192 0.000 0.826 730 A HN 0.432 nan 8.150 nan 0.000 0.447 731 N N 0.491 119.129 118.700 -0.104 0.000 2.036 731 N HA -0.165 4.682 4.740 0.179 0.000 0.195 731 N C 2.089 177.578 175.510 -0.035 0.000 1.037 731 N CA 2.196 55.202 53.050 -0.073 0.000 0.855 731 N CB -0.618 37.855 38.487 -0.022 0.000 1.033 731 N HN 0.668 nan 8.380 nan 0.000 0.423 732 S N -0.047 115.629 115.700 -0.041 0.000 2.428 732 S HA 0.135 4.712 4.470 0.179 0.000 0.230 732 S C 2.049 176.604 174.600 -0.076 0.000 1.014 732 S CA 0.780 58.969 58.200 -0.018 0.000 0.957 732 S CB -0.287 62.871 63.200 -0.070 0.000 0.784 732 S HN 0.349 nan 8.310 nan 0.000 0.499 733 A N 1.609 124.322 122.820 -0.179 0.000 1.933 733 A HA -0.156 4.271 4.320 0.179 0.000 0.218 733 A C 2.335 180.010 177.584 0.152 0.000 1.175 733 A CA 1.657 53.603 52.037 -0.152 0.000 0.628 733 A CB -1.000 17.785 19.000 -0.358 0.000 0.814 733 A HN 0.652 nan 8.150 nan 0.000 0.444 734 Q N -0.711 119.132 119.800 0.071 0.000 2.061 734 Q HA -0.231 4.217 4.340 0.179 0.000 0.204 734 Q C 1.897 178.036 176.000 0.232 0.000 0.984 734 Q CA 1.800 57.680 55.803 0.128 0.000 0.846 734 Q CB -0.100 28.655 28.738 0.028 0.000 0.902 734 Q HN 0.660 nan 8.270 nan 0.000 0.421 735 E N -0.347 119.989 120.200 0.226 0.000 2.072 735 E HA -0.186 4.272 4.350 0.179 0.000 0.191 735 E C 1.886 178.654 176.600 0.279 0.000 0.985 735 E CA 1.217 57.756 56.400 0.232 0.000 0.801 735 E CB -0.518 29.321 29.700 0.232 0.000 0.750 735 E HN 0.585 nan 8.360 nan 0.000 0.452 736 Y N -0.210 120.166 120.300 0.127 0.000 2.224 736 Y HA -0.269 4.388 4.550 0.179 0.000 0.289 736 Y C 2.453 178.399 175.900 0.077 0.000 1.146 736 Y CA 1.093 59.279 58.100 0.142 0.000 1.182 736 Y CB -0.358 38.243 38.460 0.235 0.000 0.983 736 Y HN 0.105 nan 8.280 nan 0.000 0.524 737 Y N 1.402 121.760 120.300 0.097 0.000 2.181 737 Y HA -0.257 4.473 4.550 0.299 0.000 0.288 737 Y C 1.985 177.859 175.900 -0.043 0.000 1.146 737 Y CA 1.752 59.717 58.100 -0.226 0.000 1.164 737 Y CB -0.465 37.821 38.460 -0.290 0.000 0.982 737 Y HN 0.144 nan 8.280 nan 0.000 0.515 738 E N -0.614 119.500 120.200 -0.143 0.000 2.106 738 E HA -0.156 4.301 4.350 0.179 0.000 0.192 738 E C 2.239 178.773 176.600 -0.110 0.000 0.984 738 E CA 1.499 57.785 56.400 -0.189 0.000 0.806 738 E CB -0.181 29.514 29.700 -0.010 0.000 0.750 738 E HN 0.373 nan 8.360 nan 0.000 0.458 739 V N 1.984 121.869 119.914 -0.048 0.000 2.427 739 V HA -0.267 3.961 4.120 0.179 0.000 0.248 739 V C 2.437 178.541 176.094 0.017 0.000 1.051 739 V CA 1.976 64.263 62.300 -0.021 0.000 1.048 739 V CB -0.488 31.305 31.823 -0.050 0.000 0.666 739 V HN 0.424 nan 8.190 nan 0.000 0.456 740 M N 0.619 120.218 119.600 -0.001 0.000 2.319 740 M HA -0.089 4.498 4.480 0.179 0.000 0.265 740 M C 2.116 178.601 176.300 0.308 0.000 1.068 740 M CA 2.195 57.550 55.300 0.092 0.000 1.118 740 M CB -0.931 31.616 32.600 -0.088 0.000 1.395 740 M HN 0.449 nan 8.290 nan 0.000 0.435 741 C N -0.933 118.462 119.300 0.160 0.000 2.791 741 C HA 0.348 4.915 4.460 0.179 0.000 0.270 741 C C 1.887 177.047 174.990 0.284 0.000 1.257 741 C CA -0.548 58.676 59.018 0.343 0.000 1.699 741 C CB -1.487 26.496 27.740 0.405 0.000 1.904 741 C HN 0.514 nan 8.230 nan 0.000 0.603 742 N N 2.543 121.329 118.700 0.144 0.000 2.135 742 N HA 0.015 4.862 4.740 0.179 0.000 0.186 742 N C 2.121 177.697 175.510 0.109 0.000 1.027 742 N CA 2.007 55.115 53.050 0.097 0.000 0.849 742 N CB -0.539 37.974 38.487 0.045 0.000 1.002 742 N HN 0.623 nan 8.380 nan 0.000 0.425 743 A N 0.414 123.328 122.820 0.157 0.000 1.908 743 A HA -0.217 4.211 4.320 0.179 0.000 0.218 743 A C 2.173 179.857 177.584 0.166 0.000 1.181 743 A CA 1.376 53.517 52.037 0.173 0.000 0.627 743 A CB -1.075 18.076 19.000 0.252 0.000 0.818 743 A HN 0.496 nan 8.150 nan 0.000 0.445 744 Y N 0.995 121.353 120.300 0.097 0.000 2.145 744 Y HA -0.229 4.434 4.550 0.188 0.000 0.286 744 Y C 2.100 177.950 175.900 -0.084 0.000 1.145 744 Y CA 2.218 60.264 58.100 -0.090 0.000 1.148 744 Y CB -0.553 37.824 38.460 -0.139 0.000 0.981 744 Y HN 0.443 nan 8.280 nan 0.000 0.507 745 N N 0.053 118.699 118.700 -0.090 0.000 2.223 745 N HA -0.175 4.672 4.740 0.179 0.000 0.185 745 N C 0.855 176.240 175.510 -0.209 0.000 1.016 745 N CA 1.305 54.223 53.050 -0.220 0.000 0.863 745 N CB -0.250 38.206 38.487 -0.052 0.000 0.983 745 N HN 0.526 nan 8.380 nan 0.000 0.429 746 N N -0.775 117.852 118.700 -0.121 0.000 2.336 746 N HA 0.108 4.955 4.740 0.179 0.000 0.189 746 N C 0.845 176.290 175.510 -0.108 0.000 1.113 746 N CA 0.238 53.232 53.050 -0.093 0.000 0.858 746 N CB 0.810 39.273 38.487 -0.041 0.000 0.970 746 N HN 0.240 nan 8.380 nan 0.000 0.471 747 G N 0.934 109.636 108.800 -0.163 0.000 2.234 747 G HA2 -0.271 3.796 3.960 0.179 0.000 0.235 747 G HA3 -0.271 3.796 3.960 0.179 0.000 0.235 747 G C -0.048 174.799 174.900 -0.088 0.000 0.997 747 G CA -0.348 44.657 45.100 -0.159 0.000 0.623 747 G HN 0.369 nan 8.290 nan 0.000 0.514 748 N N 0.890 119.571 118.700 -0.032 0.000 2.437 748 N HA 0.589 5.436 4.740 0.179 0.000 0.259 748 N C 0.922 176.498 175.510 0.110 0.000 0.983 748 N CA 1.528 54.593 53.050 0.025 0.000 0.937 748 N CB 1.082 39.583 38.487 0.023 0.000 1.122 748 N HN 1.355 nan 8.380 nan 0.000 0.499 749 G N 3.288 112.185 108.800 0.161 0.000 1.920 749 G HA2 -0.208 3.860 3.960 0.179 0.000 0.210 749 G HA3 -0.208 3.860 3.960 0.179 0.000 0.210 749 G C 0.403 175.394 174.900 0.152 0.000 1.302 749 G CA 0.058 45.219 45.100 0.102 0.000 1.333 749 G HN 0.498 nan 8.290 nan 0.000 0.452 750 E N 1.070 121.336 120.200 0.109 0.000 2.216 750 E HA 0.024 4.481 4.350 0.179 0.000 0.192 750 E C 2.167 178.857 176.600 0.150 0.000 0.988 750 E CA 1.062 57.531 56.400 0.116 0.000 0.834 750 E CB 0.158 29.897 29.700 0.065 0.000 0.772 750 E HN 0.474 nan 8.360 nan 0.000 0.479 751 K N 1.131 121.612 120.400 0.134 0.000 1.984 751 K HA -0.171 4.256 4.320 0.179 0.000 0.209 751 K C 2.055 178.789 176.600 0.223 0.000 1.046 751 K CA 1.134 57.507 56.287 0.143 0.000 0.934 751 K CB -0.268 32.289 32.500 0.095 0.000 0.717 751 K HN 0.048 nan 8.250 nan 0.000 0.438 752 F N 2.342 122.355 119.950 0.105 0.000 2.063 752 F HA -0.304 4.327 4.527 0.173 0.000 0.298 752 F C 2.281 178.155 175.800 0.122 0.000 1.109 752 F CA 2.154 60.219 58.000 0.109 0.000 1.212 752 F CB -0.249 38.813 39.000 0.104 0.000 0.973 752 F HN 0.029 nan 8.300 nan 0.000 0.480 753 K N -0.497 120.024 120.400 0.202 0.000 2.044 753 K HA -0.283 4.144 4.320 0.179 0.000 0.210 753 K C 2.305 178.923 176.600 0.030 0.000 1.049 753 K CA 2.079 58.421 56.287 0.093 0.000 0.927 753 K CB -0.753 31.857 32.500 0.184 0.000 0.713 753 K HN 0.412 nan 8.250 nan 0.000 0.443 754 F N 1.049 120.988 119.950 -0.018 0.000 2.113 754 F HA -0.194 4.442 4.527 0.182 0.000 0.297 754 F C 1.859 177.644 175.800 -0.025 0.000 1.103 754 F CA 1.364 59.358 58.000 -0.009 0.000 1.248 754 F CB -0.189 38.812 39.000 0.002 0.000 0.999 754 F HN -0.198 nan 8.300 nan 0.000 0.475 755 V N 0.365 120.340 119.914 0.101 0.000 2.358 755 V HA -0.256 3.971 4.120 0.179 0.000 0.246 755 V C 2.613 178.658 176.094 -0.082 0.000 1.047 755 V CA 1.810 64.118 62.300 0.013 0.000 1.035 755 V CB -1.216 30.638 31.823 0.050 0.000 0.658 755 V HN 0.572 nan 8.190 nan 0.000 0.452 756 S N 1.150 116.677 115.700 -0.290 0.000 2.402 756 S HA -0.083 4.494 4.470 0.179 0.000 0.229 756 S C 2.093 176.641 174.600 -0.087 0.000 1.021 756 S CA 1.328 59.337 58.200 -0.317 0.000 0.974 756 S CB -0.841 61.875 63.200 -0.808 0.000 0.800 756 S HN 0.530 nan 8.310 nan 0.000 0.484 757 G N 2.307 111.035 108.800 -0.121 0.000 2.421 757 G HA2 -0.152 3.916 3.960 0.179 0.000 0.216 757 G HA3 -0.152 3.916 3.960 0.179 0.000 0.216 757 G C 1.611 176.493 174.900 -0.031 0.000 1.171 757 G CA 0.694 45.750 45.100 -0.073 0.000 0.775 757 G HN 0.399 nan 8.290 nan 0.000 0.543 758 K N -0.103 120.250 120.400 -0.079 0.000 2.097 758 K HA -0.012 4.415 4.320 0.179 0.000 0.206 758 K C 2.089 178.805 176.600 0.193 0.000 1.049 758 K CA 0.527 56.858 56.287 0.073 0.000 0.933 758 K CB -0.554 31.991 32.500 0.075 0.000 0.717 758 K HN 0.398 nan 8.250 nan 0.000 0.442 759 F N 1.852 121.815 119.950 0.022 0.000 2.102 759 F HA -0.180 4.401 4.527 0.089 0.000 0.298 759 F C 2.027 177.751 175.800 -0.127 0.000 1.105 759 F CA 1.323 59.279 58.000 -0.073 0.000 1.239 759 F CB -0.259 38.669 39.000 -0.120 0.000 0.991 759 F HN -0.124 nan 8.300 nan 0.000 0.474 760 L N -0.117 121.138 121.223 0.054 0.000 2.083 760 L HA -0.197 4.250 4.340 0.179 0.000 0.209 760 L C 2.349 179.279 176.870 0.100 0.000 1.083 760 L CA 1.588 56.451 54.840 0.039 0.000 0.752 760 L CB -0.762 41.353 42.059 0.093 0.000 0.899 760 L HN 0.175 nan 8.230 nan 0.000 0.433 761 E N 0.158 120.385 120.200 0.045 0.000 2.110 761 E HA -0.247 4.210 4.350 0.179 0.000 0.193 761 E C 2.270 178.675 176.600 -0.325 0.000 0.988 761 E CA 0.950 57.344 56.400 -0.010 0.000 0.804 761 E CB -0.119 29.674 29.700 0.154 0.000 0.745 761 E HN 0.410 nan 8.360 nan 0.000 0.458 762 L N 0.981 121.941 121.223 -0.438 0.000 2.042 762 L HA -0.202 4.245 4.340 0.179 0.000 0.210 762 L C 2.162 178.684 176.870 -0.580 0.000 1.076 762 L CA 1.212 55.587 54.840 -0.775 0.000 0.749 762 L CB -0.073 41.629 42.059 -0.594 0.000 0.893 762 L HN 0.156 nan 8.230 nan 0.000 0.432 763 I N -0.455 119.852 120.570 -0.438 0.000 2.394 763 I HA -0.260 4.017 4.170 0.179 0.000 0.251 763 I C 2.367 178.380 176.117 -0.173 0.000 1.136 763 I CA 0.976 62.109 61.300 -0.279 0.000 1.425 763 I CB -0.354 37.568 38.000 -0.129 0.000 1.079 763 I HN 0.231 nan 8.210 nan 0.000 0.425 764 K N 0.469 120.770 120.400 -0.165 0.000 2.148 764 K HA -0.136 4.291 4.320 0.179 0.000 0.204 764 K C 2.115 178.587 176.600 -0.212 0.000 1.050 764 K CA 1.074 57.249 56.287 -0.186 0.000 0.942 764 K CB -0.272 32.130 32.500 -0.162 0.000 0.724 764 K HN 0.207 nan 8.250 nan 0.000 0.446 765 L N 1.813 122.848 121.223 -0.313 0.000 2.056 765 L HA -0.172 4.275 4.340 0.179 0.000 0.207 765 L C 2.573 179.289 176.870 -0.256 0.000 1.078 765 L CA 1.675 56.325 54.840 -0.318 0.000 0.749 765 L CB -0.463 41.281 42.059 -0.525 0.000 0.901 765 L HN 0.058 nan 8.230 nan 0.000 0.433 766 Q N 0.244 119.876 119.800 -0.279 0.000 2.077 766 Q HA -0.272 4.176 4.340 0.179 0.000 0.206 766 Q C 2.065 177.979 176.000 -0.144 0.000 0.989 766 Q CA 2.331 58.003 55.803 -0.219 0.000 0.853 766 Q CB -0.244 28.344 28.738 -0.249 0.000 0.907 766 Q HN 0.639 nan 8.270 nan 0.000 0.418 767 E N -0.606 119.520 120.200 -0.124 0.000 2.160 767 E HA -0.217 4.240 4.350 0.179 0.000 0.195 767 E C 2.105 178.674 176.600 -0.051 0.000 0.991 767 E CA 1.215 57.575 56.400 -0.067 0.000 0.810 767 E CB -0.069 29.587 29.700 -0.073 0.000 0.742 767 E HN 0.315 nan 8.360 nan 0.000 0.466 768 R N 0.079 120.529 120.500 -0.083 0.000 2.093 768 R HA -0.043 4.404 4.340 0.179 0.000 0.224 768 R C 2.417 178.676 176.300 -0.067 0.000 1.101 768 R CA 0.793 56.850 56.100 -0.072 0.000 0.979 768 R CB -0.160 30.085 30.300 -0.091 0.000 0.877 768 R HN 0.031 nan 8.270 nan 0.000 0.441 769 V N 1.729 121.589 119.914 -0.090 0.000 2.392 769 V HA -0.235 3.992 4.120 0.179 0.000 0.249 769 V C 2.162 178.273 176.094 0.029 0.000 1.059 769 V CA 1.708 63.961 62.300 -0.079 0.000 1.051 769 V CB -0.418 31.335 31.823 -0.116 0.000 0.658 769 V HN 0.288 nan 8.190 nan 0.000 0.455 770 L N 0.718 121.980 121.223 0.065 0.000 2.240 770 L HA -0.054 4.393 4.340 0.179 0.000 0.211 770 L C 2.613 179.596 176.870 0.188 0.000 1.106 770 L CA 1.266 56.246 54.840 0.234 0.000 0.793 770 L CB -0.712 41.417 42.059 0.115 0.000 0.927 770 L HN 0.511 nan 8.230 nan 0.000 0.446 771 S N -0.854 114.887 115.700 0.068 0.000 2.442 771 S HA -0.185 4.392 4.470 0.179 0.000 0.236 771 S C 2.073 176.672 174.600 -0.002 0.000 1.007 771 S CA 1.357 59.577 58.200 0.033 0.000 0.965 771 S CB -0.900 62.307 63.200 0.012 0.000 0.773 771 S HN 0.588 nan 8.310 nan 0.000 0.504 772 T N -0.214 114.329 114.554 -0.018 0.000 2.915 772 T HA 0.060 4.517 4.350 0.179 0.000 0.269 772 T C 0.839 175.462 174.700 -0.127 0.000 1.071 772 T CA 0.330 62.394 62.100 -0.060 0.000 1.132 772 T CB -0.305 68.524 68.868 -0.065 0.000 0.878 772 T HN 0.183 nan 8.240 nan 0.000 0.479 773 R N 1.655 122.013 120.500 -0.237 0.000 2.387 773 R HA 0.387 4.834 4.340 0.179 0.000 0.314 773 R C -2.209 173.911 176.300 -0.300 0.000 0.958 773 R CA -2.992 52.852 56.100 -0.427 0.000 0.846 773 R CB 1.130 30.736 30.300 -1.157 0.000 1.147 773 R HN 0.097 nan 8.270 nan 0.000 0.447 774 P HA -0.197 nan 4.420 nan 0.000 0.217 774 P C 0.897 178.096 177.300 -0.168 0.000 1.148 774 P CA 1.258 64.278 63.100 -0.132 0.000 0.828 774 P CB 0.384 32.036 31.700 -0.079 0.000 0.783 775 E N -1.129 118.945 120.200 -0.210 0.000 2.268 775 E HA -0.125 4.332 4.350 0.179 0.000 0.195 775 E C 1.026 177.542 176.600 -0.139 0.000 0.995 775 E CA 1.052 57.371 56.400 -0.135 0.000 0.836 775 E CB -0.966 28.730 29.700 -0.006 0.000 0.763 775 E HN 0.265 nan 8.360 nan 0.000 0.491 776 F N 1.214 120.975 119.950 -0.315 0.000 2.773 776 F HA 0.295 4.940 4.527 0.196 0.000 0.304 776 F C 0.879 176.309 175.800 -0.618 0.000 1.129 776 F CA -0.588 57.137 58.000 -0.458 0.000 1.378 776 F CB -0.368 38.565 39.000 -0.112 0.000 1.095 776 F HN -0.154 nan 8.300 nan 0.000 0.565 777 L N 0.736 121.728 121.223 -0.385 0.000 2.261 777 L HA 0.205 4.652 4.340 0.179 0.000 0.289 777 L C 1.652 178.296 176.870 -0.378 0.000 1.059 777 L CA -0.476 54.210 54.840 -0.257 0.000 0.816 777 L CB 1.253 43.249 42.059 -0.106 0.000 1.191 777 L HN -0.045 nan 8.230 nan 0.000 0.431 778 I N 3.074 123.514 120.570 -0.217 0.000 2.315 778 I HA -0.206 4.071 4.170 0.179 0.000 0.251 778 I C 2.172 178.326 176.117 0.060 0.000 1.125 778 I CA 1.886 63.173 61.300 -0.021 0.000 1.392 778 I CB -0.014 38.008 38.000 0.036 0.000 1.065 778 I HN 0.769 nan 8.210 nan 0.000 0.424 779 G N -0.045 108.789 108.800 0.056 0.000 2.432 779 G HA2 -0.282 3.785 3.960 0.179 0.000 0.219 779 G HA3 -0.282 3.785 3.960 0.179 0.000 0.219 779 G C 1.534 176.483 174.900 0.081 0.000 1.135 779 G CA 0.861 46.043 45.100 0.137 0.000 0.767 779 G HN 0.386 nan 8.290 nan 0.000 0.550 780 N N -0.403 118.319 118.700 0.037 0.000 2.171 780 N HA -0.070 4.777 4.740 0.179 0.000 0.184 780 N C 1.685 177.270 175.510 0.126 0.000 1.021 780 N CA 0.690 53.767 53.050 0.047 0.000 0.854 780 N CB -0.435 38.051 38.487 -0.002 0.000 0.994 780 N HN 0.621 nan 8.380 nan 0.000 0.426 781 W N 1.820 123.080 121.300 -0.066 0.000 2.354 781 W HA -0.115 4.658 4.660 0.189 0.000 0.315 781 W C 1.727 178.263 176.519 0.029 0.000 1.206 781 W CA 0.921 58.311 57.345 0.074 0.000 1.290 781 W CB -0.411 29.137 29.460 0.146 0.000 1.152 781 W HN -0.028 nan 8.180 nan 0.000 0.489 782 I N 0.768 121.361 120.570 0.038 0.000 2.179 782 I HA -0.346 3.931 4.170 0.179 0.000 0.242 782 I C 2.510 178.511 176.117 -0.194 0.000 1.088 782 I CA 2.104 63.318 61.300 -0.144 0.000 1.357 782 I CB -0.829 37.180 38.000 0.015 0.000 1.051 782 I HN 0.043 nan 8.210 nan 0.000 0.409 783 E N 1.025 121.181 120.200 -0.072 0.000 2.077 783 E HA -0.265 4.192 4.350 0.179 0.000 0.193 783 E C 1.712 178.262 176.600 -0.084 0.000 0.989 783 E CA 1.659 58.024 56.400 -0.058 0.000 0.800 783 E CB 0.078 29.777 29.700 -0.001 0.000 0.746 783 E HN 0.378 nan 8.360 nan 0.000 0.452 784 D N 0.280 120.635 120.400 -0.075 0.000 2.104 784 D HA -0.199 4.548 4.640 0.179 0.000 0.194 784 D C 1.837 178.050 176.300 -0.145 0.000 0.994 784 D CA 1.500 55.487 54.000 -0.022 0.000 0.830 784 D CB -0.487 40.374 40.800 0.103 0.000 0.959 784 D HN 0.335 nan 8.370 nan 0.000 0.452 785 A N 0.959 123.396 122.820 -0.638 0.000 1.883 785 A HA -0.199 4.228 4.320 0.179 0.000 0.217 785 A C 2.175 179.583 177.584 -0.293 0.000 1.186 785 A CA 1.488 52.865 52.037 -1.100 0.000 0.624 785 A CB -0.522 17.346 19.000 -1.887 0.000 0.822 785 A HN 0.136 nan 8.150 nan 0.000 0.444 786 R N -0.859 119.507 120.500 -0.224 0.000 2.237 786 R HA -0.054 4.393 4.340 0.179 0.000 0.219 786 R C 1.300 177.578 176.300 -0.036 0.000 1.080 786 R CA 1.511 57.550 56.100 -0.101 0.000 0.995 786 R CB -0.191 30.046 30.300 -0.105 0.000 0.875 786 R HN 0.733 nan 8.270 nan 0.000 0.462 787 T N -3.139 111.416 114.554 0.001 0.000 3.145 787 T HA 0.108 4.566 4.350 0.179 0.000 0.281 787 T C 1.470 176.235 174.700 0.109 0.000 1.003 787 T CA -0.354 61.772 62.100 0.043 0.000 0.901 787 T CB 0.125 69.014 68.868 0.034 0.000 1.112 787 T HN 0.155 nan 8.240 nan 0.000 0.535 788 M N 0.705 120.413 119.600 0.180 0.000 2.446 788 M HA 0.303 4.890 4.480 0.179 0.000 0.263 788 M C -0.070 176.384 176.300 0.256 0.000 1.066 788 M CA 1.148 56.610 55.300 0.270 0.000 1.087 788 M CB -0.519 32.330 32.600 0.415 0.000 1.406 788 M HN 0.153 nan 8.290 nan 0.000 0.459 789 L N 0.329 121.683 121.223 0.218 0.000 2.323 789 L HA 0.672 5.119 4.340 0.179 0.000 0.265 789 L C -0.546 176.384 176.870 0.100 0.000 1.012 789 L CA -1.221 53.719 54.840 0.167 0.000 0.820 789 L CB 1.657 43.831 42.059 0.191 0.000 1.334 789 L HN -0.146 nan 8.230 nan 0.000 0.427 790 K N 0.030 120.480 120.400 0.084 0.000 2.238 790 K HA 0.446 4.873 4.320 0.179 0.000 0.239 790 K C -0.419 176.213 176.600 0.053 0.000 0.987 790 K CA -0.323 56.000 56.287 0.061 0.000 0.857 790 K CB 0.891 33.427 32.500 0.059 0.000 1.154 790 K HN 0.621 nan 8.250 nan 0.000 0.439 791 D N -1.189 119.236 120.400 0.042 0.000 2.946 791 D HA -0.168 4.579 4.640 0.179 0.000 0.202 791 D C -0.649 175.672 176.300 0.036 0.000 1.068 791 D CA 0.817 54.841 54.000 0.039 0.000 1.011 791 D CB -1.468 39.360 40.800 0.046 0.000 1.105 791 D HN 0.347 nan 8.370 nan 0.000 0.425 792 S N 1.379 117.093 115.700 0.023 0.000 2.558 792 S HA 0.167 4.744 4.470 0.179 0.000 0.291 792 S C 0.497 175.101 174.600 0.007 0.000 1.306 792 S CA 0.136 58.331 58.200 -0.008 0.000 1.056 792 S CB 0.730 63.893 63.200 -0.062 0.000 0.836 792 S HN 0.323 nan 8.310 nan 0.000 0.504 793 D N 1.925 122.339 120.400 0.024 0.000 2.423 793 D HA 0.222 4.969 4.640 0.179 0.000 0.255 793 D C 0.446 176.780 176.300 0.055 0.000 1.174 793 D CA -0.648 53.393 54.000 0.067 0.000 1.008 793 D CB 0.241 41.119 40.800 0.130 0.000 1.101 793 D HN 0.256 nan 8.370 nan 0.000 0.516 794 D N -1.097 119.380 120.400 0.128 0.000 2.178 794 D HA -0.114 4.633 4.640 0.179 0.000 0.202 794 D C 1.525 177.895 176.300 0.117 0.000 0.974 794 D CA 0.586 54.674 54.000 0.147 0.000 0.841 794 D CB -0.330 40.622 40.800 0.254 0.000 0.953 794 D HN 0.535 nan 8.370 nan 0.000 0.478 795 W N 1.934 123.155 121.300 -0.131 0.000 2.317 795 W HA -0.245 4.523 4.660 0.182 0.000 0.318 795 W C 1.534 177.824 176.519 -0.382 0.000 1.227 795 W CA 1.954 58.983 57.345 -0.526 0.000 1.269 795 W CB -0.520 28.554 29.460 -0.643 0.000 1.155 795 W HN -0.028 nan 8.180 nan 0.000 0.484 796 T N 1.287 115.721 114.554 -0.201 0.000 2.788 796 T HA -0.191 4.267 4.350 0.179 0.000 0.268 796 T C 1.804 176.169 174.700 -0.557 0.000 1.044 796 T CA 1.909 63.748 62.100 -0.436 0.000 1.139 796 T CB -0.246 68.379 68.868 -0.404 0.000 0.867 796 T HN 0.163 nan 8.240 nan 0.000 0.454 797 K N 0.916 121.116 120.400 -0.335 0.000 2.001 797 K HA -0.104 4.323 4.320 0.179 0.000 0.208 797 K C 2.148 178.633 176.600 -0.192 0.000 1.048 797 K CA 1.519 57.667 56.287 -0.232 0.000 0.932 797 K CB -0.254 32.170 32.500 -0.127 0.000 0.715 797 K HN 0.196 nan 8.250 nan 0.000 0.437 798 D N 1.114 121.386 120.400 -0.212 0.000 2.133 798 D HA -0.172 4.575 4.640 0.179 0.000 0.195 798 D C 1.777 177.923 176.300 -0.256 0.000 0.997 798 D CA 0.857 54.728 54.000 -0.215 0.000 0.840 798 D CB -0.167 40.516 40.800 -0.195 0.000 0.947 798 D HN 0.009 nan 8.370 nan 0.000 0.452 799 L N -0.488 120.492 121.223 -0.405 0.000 2.109 799 L HA -0.057 4.391 4.340 0.179 0.000 0.207 799 L C 1.771 178.713 176.870 0.119 0.000 1.086 799 L CA 1.329 55.992 54.840 -0.295 0.000 0.760 799 L CB -0.340 41.408 42.059 -0.518 0.000 0.910 799 L HN -0.108 nan 8.230 nan 0.000 0.437 800 F N 0.162 119.993 119.950 -0.198 0.000 2.259 800 F HA -0.067 4.567 4.527 0.179 0.000 0.298 800 F C 2.572 178.209 175.800 -0.271 0.000 1.088 800 F CA 1.119 59.010 58.000 -0.181 0.000 1.358 800 F CB -0.833 38.052 39.000 -0.190 0.000 1.040 800 F HN 0.301 nan 8.300 nan 0.000 0.505 801 E N -0.237 119.927 120.200 -0.060 0.000 2.110 801 E HA -0.262 4.195 4.350 0.179 0.000 0.193 801 E C 2.268 178.814 176.600 -0.091 0.000 0.988 801 E CA 1.050 57.360 56.400 -0.149 0.000 0.804 801 E CB -0.380 29.235 29.700 -0.141 0.000 0.745 801 E HN 0.326 nan 8.360 nan 0.000 0.458 802 F N 1.997 121.855 119.950 -0.152 0.000 2.095 802 F HA -0.224 4.413 4.527 0.184 0.000 0.298 802 F C 1.922 177.726 175.800 0.006 0.000 1.104 802 F CA 1.761 59.691 58.000 -0.117 0.000 1.232 802 F CB -0.344 38.559 39.000 -0.161 0.000 0.987 802 F HN 0.024 nan 8.300 nan 0.000 0.475 803 N N 0.572 119.331 118.700 0.099 0.000 2.094 803 N HA -0.233 4.614 4.740 0.179 0.000 0.191 803 N C 1.977 177.517 175.510 0.049 0.000 1.023 803 N CA 1.507 54.623 53.050 0.110 0.000 0.857 803 N CB -0.458 38.091 38.487 0.103 0.000 1.013 803 N HN 0.463 nan 8.380 nan 0.000 0.426 804 A N 1.763 124.590 122.820 0.013 0.000 1.872 804 A HA -0.064 4.363 4.320 0.179 0.000 0.214 804 A C 2.249 180.050 177.584 0.362 0.000 1.187 804 A CA 0.851 52.954 52.037 0.111 0.000 0.614 804 A CB -0.282 18.433 19.000 -0.474 0.000 0.826 804 A HN 0.216 nan 8.150 nan 0.000 0.442 805 R N -0.503 120.045 120.500 0.080 0.000 2.066 805 R HA -0.057 4.390 4.340 0.179 0.000 0.232 805 R C 2.540 178.902 176.300 0.103 0.000 1.131 805 R CA 1.204 57.355 56.100 0.085 0.000 0.955 805 R CB -0.540 29.587 30.300 -0.288 0.000 0.851 805 R HN 0.500 nan 8.270 nan 0.000 0.432 806 A N 1.556 124.298 122.820 -0.129 0.000 1.883 806 A HA -0.185 4.242 4.320 0.179 0.000 0.217 806 A C 2.143 179.795 177.584 0.113 0.000 1.186 806 A CA 1.171 53.183 52.037 -0.041 0.000 0.624 806 A CB -0.619 18.239 19.000 -0.237 0.000 0.822 806 A HN 0.211 nan 8.150 nan 0.000 0.444 807 L N 0.465 121.721 121.223 0.055 0.000 2.043 807 L HA -0.173 4.274 4.340 0.179 0.000 0.212 807 L C 2.414 179.311 176.870 0.046 0.000 1.075 807 L CA 2.555 57.340 54.840 -0.092 0.000 0.752 807 L CB -0.429 41.580 42.059 -0.083 0.000 0.891 807 L HN 0.413 nan 8.230 nan 0.000 0.432 808 V N -4.518 115.442 119.914 0.077 0.000 3.461 808 V HA 0.072 4.299 4.120 0.179 0.000 0.267 808 V C 1.411 177.440 176.094 -0.109 0.000 1.186 808 V CA 1.161 63.406 62.300 -0.091 0.000 1.154 808 V CB -1.350 30.301 31.823 -0.286 0.000 0.802 808 V HN 0.661 nan 8.190 nan 0.000 0.474 809 T N -1.889 112.659 114.554 -0.010 0.000 2.614 809 T HA 0.064 4.521 4.350 0.179 0.000 0.163 809 T C 1.711 176.548 174.700 0.227 0.000 0.806 809 T CA 1.011 63.078 62.100 -0.056 0.000 1.020 809 T CB -0.125 68.535 68.868 -0.346 0.000 2.539 809 T HN 0.423 nan 8.240 nan 0.000 0.380 810 T N -2.732 112.016 114.554 0.324 0.000 2.977 810 T HA -0.069 4.388 4.350 0.179 0.000 0.271 810 T C 1.364 176.385 174.700 0.535 0.000 1.105 810 T CA 1.475 63.847 62.100 0.454 0.000 1.116 810 T CB -0.873 68.337 68.868 0.569 0.000 0.878 810 T HN 0.709 nan 8.240 nan 0.000 0.509 811 W N 0.584 122.054 121.300 0.283 0.000 0.649 811 W HA -0.340 4.421 4.660 0.169 0.000 0.221 811 W C 1.100 177.794 176.519 0.293 0.000 1.002 811 W CA 1.737 59.253 57.345 0.285 0.000 0.879 811 W CB -1.442 28.131 29.460 0.189 0.000 1.806 811 W HN 0.631 nan 8.180 nan 0.000 0.496 812 G N -1.103 108.037 108.800 0.567 0.000 3.135 812 G HA2 0.543 4.610 3.960 0.179 0.000 0.159 812 G HA3 0.543 4.610 3.960 0.179 0.000 0.159 812 G C 0.098 175.164 174.900 0.276 0.000 1.244 812 G CA 0.244 45.361 45.100 0.028 0.000 0.965 812 G HN 0.760 nan 8.290 nan 0.000 0.599 813 S N -1.292 114.436 115.700 0.046 0.000 2.647 813 S HA 0.309 4.886 4.470 0.179 0.000 0.284 813 S C 1.530 175.816 174.600 -0.524 0.000 1.134 813 S CA 0.004 58.201 58.200 -0.005 0.000 1.027 813 S CB 1.386 64.658 63.200 0.120 0.000 1.180 813 S HN 0.676 nan 8.310 nan 0.000 0.521 814 R N 0.750 120.551 120.500 -1.166 0.000 2.119 814 R HA -0.176 4.272 4.340 0.179 0.000 0.246 814 R C 1.263 177.111 176.300 -0.753 0.000 1.146 814 R CA 2.173 57.325 56.100 -1.579 0.000 0.962 814 R CB -0.673 28.953 30.300 -1.124 0.000 0.863 814 R HN 0.674 nan 8.270 nan 0.000 0.442 815 N N 0.067 118.455 118.700 -0.519 0.000 2.457 815 N HA -0.060 4.787 4.740 0.179 0.000 0.180 815 N C 0.665 175.920 175.510 -0.425 0.000 1.050 815 N CA 1.064 53.878 53.050 -0.394 0.000 0.906 815 N CB -0.102 38.195 38.487 -0.316 0.000 0.968 815 N HN 0.469 nan 8.380 nan 0.000 0.445 816 N N 0.592 118.995 118.700 -0.495 0.000 2.368 816 N HA 0.110 4.957 4.740 0.179 0.000 0.178 816 N C 1.781 177.117 175.510 -0.290 0.000 1.021 816 N CA 0.689 53.434 53.050 -0.507 0.000 0.875 816 N CB 0.002 38.080 38.487 -0.682 0.000 1.020 816 N HN 0.065 nan 8.380 nan 0.000 0.433 817 A N 1.171 123.881 122.820 -0.182 0.000 1.873 817 A HA -0.130 4.297 4.320 0.179 0.000 0.215 817 A C 1.390 178.915 177.584 -0.098 0.000 1.186 817 A CA 1.664 53.690 52.037 -0.019 0.000 0.616 817 A CB -0.299 18.826 19.000 0.209 0.000 0.823 817 A HN 0.101 nan 8.150 nan 0.000 0.442 818 D N -1.030 119.254 120.400 -0.193 0.000 2.297 818 D HA 0.106 4.854 4.640 0.179 0.000 0.233 818 D C 2.174 178.362 176.300 -0.187 0.000 1.056 818 D CA 1.358 55.258 54.000 -0.167 0.000 0.938 818 D CB -1.133 39.561 40.800 -0.176 0.000 1.048 818 D HN 0.299 nan 8.370 nan 0.000 0.442 819 G N 0.117 108.791 108.800 -0.209 0.000 2.432 819 G HA2 -0.135 3.932 3.960 0.179 0.000 0.219 819 G HA3 -0.135 3.932 3.960 0.179 0.000 0.219 819 G C 1.525 176.301 174.900 -0.206 0.000 1.135 819 G CA 1.077 46.065 45.100 -0.188 0.000 0.767 819 G HN 0.377 nan 8.290 nan 0.000 0.550 820 G N -0.391 108.255 108.800 -0.257 0.000 2.572 820 G HA2 0.330 4.398 3.960 0.179 0.000 0.216 820 G HA3 0.330 4.398 3.960 0.179 0.000 0.216 820 G C 1.324 176.063 174.900 -0.268 0.000 1.133 820 G CA 0.657 45.579 45.100 -0.296 0.000 0.791 820 G HN 1.456 nan 8.290 nan 0.000 0.538 821 G N -0.359 108.289 108.800 -0.253 0.000 2.141 821 G HA2 -0.261 3.806 3.960 0.179 0.000 0.242 821 G HA3 -0.261 3.806 3.960 0.179 0.000 0.242 821 G C 0.978 175.722 174.900 -0.260 0.000 0.982 821 G CA 0.427 45.339 45.100 -0.312 0.000 0.662 821 G HN 0.463 nan 8.290 nan 0.000 0.527 822 L N 0.456 121.566 121.223 -0.189 0.000 2.607 822 L HA 0.195 4.643 4.340 0.179 0.000 0.228 822 L C 1.687 178.608 176.870 0.085 0.000 1.123 822 L CA 0.338 55.093 54.840 -0.141 0.000 0.890 822 L CB -0.020 41.733 42.059 -0.510 0.000 1.103 822 L HN 0.464 nan 8.230 nan 0.000 0.468 823 K N 0.284 120.726 120.400 0.069 0.000 2.477 823 K HA -0.132 4.295 4.320 0.179 0.000 0.275 823 K C -0.219 176.470 176.600 0.149 0.000 1.054 823 K CA 0.235 56.606 56.287 0.140 0.000 1.135 823 K CB -0.024 32.516 32.500 0.065 0.000 0.854 823 K HN 0.042 nan 8.250 nan 0.000 0.484 824 D N 1.205 121.732 120.400 0.212 0.000 2.811 824 D HA -0.272 4.475 4.640 0.179 0.000 0.231 824 D C 0.157 176.535 176.300 0.130 0.000 1.157 824 D CA 1.170 55.265 54.000 0.159 0.000 0.716 824 D CB -1.301 39.560 40.800 0.103 0.000 1.077 824 D HN 0.816 nan 8.370 nan 0.000 0.428 825 Y N 0.730 121.119 120.300 0.148 0.000 2.242 825 Y HA -0.128 4.534 4.550 0.186 0.000 0.291 825 Y C 2.049 177.985 175.900 0.060 0.000 1.137 825 Y CA 1.853 60.042 58.100 0.147 0.000 1.181 825 Y CB 0.225 38.813 38.460 0.213 0.000 0.989 825 Y HN 0.063 nan 8.280 nan 0.000 0.527 826 S N 1.119 116.934 115.700 0.192 0.000 2.526 826 S HA 0.126 4.703 4.470 0.179 0.000 0.247 826 S C -0.554 173.897 174.600 -0.248 0.000 1.076 826 S CA -0.536 57.592 58.200 -0.121 0.000 1.105 826 S CB -1.854 61.339 63.200 -0.012 0.000 0.793 826 S HN 0.618 nan 8.310 nan 0.000 0.458 827 N N 1.732 120.305 118.700 -0.212 0.000 2.454 827 N HA 0.088 4.936 4.740 0.179 0.000 0.260 827 N C -0.400 174.860 175.510 -0.417 0.000 1.218 827 N CA -0.140 52.777 53.050 -0.223 0.000 0.904 827 N CB 0.415 38.808 38.487 -0.157 0.000 1.065 827 N HN 0.049 nan 8.380 nan 0.000 0.462 828 R N 1.925 122.119 120.500 -0.510 0.000 2.562 828 R HA 0.205 4.652 4.340 0.179 0.000 0.298 828 R C -0.502 175.475 176.300 -0.537 0.000 0.961 828 R CA -0.633 54.976 56.100 -0.818 0.000 0.881 828 R CB 1.127 30.307 30.300 -1.867 0.000 1.159 828 R HN 0.733 nan 8.270 nan 0.000 0.450 829 Q N 2.135 121.649 119.800 -0.477 0.000 2.837 829 Q HA 0.126 4.573 4.340 0.179 0.000 0.235 829 Q C -0.724 175.191 176.000 -0.143 0.000 1.348 829 Q CA 0.215 55.811 55.803 -0.344 0.000 0.990 829 Q CB 0.178 28.669 28.738 -0.411 0.000 1.570 829 Q HN 0.270 nan 8.270 nan 0.000 0.575 830 W N 0.485 121.666 121.300 -0.199 0.000 2.666 830 W HA 0.303 5.077 4.660 0.191 0.000 0.334 830 W C 0.418 176.918 176.519 -0.032 0.000 1.051 830 W CA -1.612 55.669 57.345 -0.107 0.000 1.224 830 W CB 1.707 31.119 29.460 -0.080 0.000 1.405 830 W HN 0.183 nan 8.180 nan 0.000 0.513 831 S N 1.303 117.126 115.700 0.206 0.000 2.572 831 S HA 0.422 4.999 4.470 0.179 0.000 0.279 831 S C 1.234 175.899 174.600 0.109 0.000 1.341 831 S CA 1.515 59.792 58.200 0.128 0.000 1.043 831 S CB 0.396 63.657 63.200 0.102 0.000 0.887 831 S HN 1.250 nan 8.310 nan 0.000 0.516 832 G N 3.643 112.514 108.800 0.119 0.000 2.990 832 G HA2 -0.309 3.758 3.960 0.179 0.000 0.225 832 G HA3 -0.309 3.758 3.960 0.179 0.000 0.225 832 G C 0.805 175.724 174.900 0.032 0.000 1.304 832 G CA 0.560 45.746 45.100 0.143 0.000 0.816 832 G HN 0.991 nan 8.290 nan 0.000 0.528 833 L N 1.420 122.608 121.223 -0.059 0.000 2.083 833 L HA 0.144 4.591 4.340 0.179 0.000 0.209 833 L C 2.925 179.717 176.870 -0.130 0.000 1.083 833 L CA 3.412 58.106 54.840 -0.243 0.000 0.752 833 L CB -0.879 41.069 42.059 -0.185 0.000 0.899 833 L HN 0.450 nan 8.230 nan 0.000 0.433 834 T N -0.869 113.763 114.554 0.129 0.000 2.737 834 T HA -0.148 4.309 4.350 0.179 0.000 0.265 834 T C 1.692 176.497 174.700 0.176 0.000 1.038 834 T CA 1.504 63.762 62.100 0.263 0.000 1.144 834 T CB -0.122 68.854 68.868 0.180 0.000 0.866 834 T HN 0.297 nan 8.240 nan 0.000 0.434 835 E N 1.219 121.481 120.200 0.103 0.000 2.058 835 E HA -0.110 4.348 4.350 0.179 0.000 0.194 835 E C 1.670 178.339 176.600 0.115 0.000 0.997 835 E CA 1.245 57.683 56.400 0.063 0.000 0.801 835 E CB -0.073 29.665 29.700 0.064 0.000 0.746 835 E HN 0.356 nan 8.360 nan 0.000 0.450 836 D N -2.258 118.208 120.400 0.110 0.000 2.369 836 D HA 0.051 4.798 4.640 0.179 0.000 0.211 836 D C 0.591 176.862 176.300 -0.048 0.000 1.077 836 D CA 0.207 54.283 54.000 0.127 0.000 0.842 836 D CB 0.525 41.535 40.800 0.350 0.000 0.947 836 D HN 0.185 nan 8.370 nan 0.000 0.509 837 Y N -1.135 118.944 120.300 -0.369 0.000 3.116 837 Y HA 0.011 4.656 4.550 0.158 0.000 0.220 837 Y C 1.395 177.080 175.900 -0.358 0.000 0.965 837 Y CA 0.196 57.946 58.100 -0.583 0.000 1.476 837 Y CB -0.012 37.730 38.460 -1.197 0.000 1.493 837 Y HN -0.279 nan 8.280 nan 0.000 0.423 838 Y N -0.548 119.773 120.300 0.034 0.000 2.133 838 Y HA -0.212 4.480 4.550 0.237 0.000 0.287 838 Y C 2.445 178.416 175.900 0.119 0.000 1.134 838 Y CA 1.985 60.091 58.100 0.010 0.000 1.133 838 Y CB -1.460 37.047 38.460 0.079 0.000 0.987 838 Y HN 0.361 nan 8.280 nan 0.000 0.502 839 Y N 0.510 120.934 120.300 0.206 0.000 2.165 839 Y HA -0.263 4.396 4.550 0.182 0.000 0.286 839 Y C 2.490 178.497 175.900 0.178 0.000 1.155 839 Y CA 1.465 59.677 58.100 0.186 0.000 1.164 839 Y CB -0.533 37.986 38.460 0.099 0.000 0.978 839 Y HN 0.073 nan 8.280 nan 0.000 0.513 840 A N 0.659 123.648 122.820 0.282 0.000 1.908 840 A HA -0.203 4.224 4.320 0.179 0.000 0.218 840 A C 2.293 179.942 177.584 0.108 0.000 1.181 840 A CA 1.829 53.983 52.037 0.194 0.000 0.627 840 A CB -0.615 18.470 19.000 0.140 0.000 0.818 840 A HN 0.541 nan 8.150 nan 0.000 0.445 841 R N -1.766 118.727 120.500 -0.012 0.000 2.070 841 R HA -0.197 4.250 4.340 0.179 0.000 0.233 841 R C 2.115 178.398 176.300 -0.029 0.000 1.137 841 R CA 1.772 57.839 56.100 -0.056 0.000 0.945 841 R CB -0.452 29.496 30.300 -0.586 0.000 0.845 841 R HN 0.751 nan 8.270 nan 0.000 0.430 842 W N 1.272 122.541 121.300 -0.051 0.000 2.335 842 W HA -0.188 4.238 4.660 -0.390 0.000 0.311 842 W C 2.370 178.954 176.519 0.108 0.000 1.213 842 W CA 1.185 58.547 57.345 0.029 0.000 1.274 842 W CB -0.306 29.176 29.460 0.038 0.000 1.148 842 W HN 0.278 nan 8.180 nan 0.000 0.498 843 E N 1.127 121.416 120.200 0.148 0.000 2.070 843 E HA -0.340 4.118 4.350 0.179 0.000 0.197 843 E C 2.141 178.862 176.600 0.201 0.000 1.004 843 E CA 1.904 58.353 56.400 0.082 0.000 0.805 843 E CB -0.288 29.395 29.700 -0.028 0.000 0.744 843 E HN 0.226 nan 8.360 nan 0.000 0.451 844 K N -0.276 120.260 120.400 0.227 0.000 2.026 844 K HA -0.209 4.218 4.320 0.179 0.000 0.208 844 K C 1.988 178.748 176.600 0.266 0.000 1.048 844 K CA 1.665 58.079 56.287 0.212 0.000 0.929 844 K CB -0.482 32.132 32.500 0.190 0.000 0.713 844 K HN 0.279 nan 8.250 nan 0.000 0.439 845 W N 1.304 122.723 121.300 0.197 0.000 2.342 845 W HA -0.140 4.677 4.660 0.263 0.000 0.297 845 W C 1.515 178.129 176.519 0.159 0.000 1.213 845 W CA 1.468 58.915 57.345 0.171 0.000 1.251 845 W CB -0.107 29.447 29.460 0.157 0.000 1.136 845 W HN 0.068 nan 8.180 nan 0.000 0.526 846 I N 0.251 121.038 120.570 0.362 0.000 2.676 846 I HA -0.250 4.027 4.170 0.179 0.000 0.259 846 I C 2.264 178.515 176.117 0.222 0.000 1.194 846 I CA 1.278 62.772 61.300 0.324 0.000 1.473 846 I CB -0.540 37.664 38.000 0.341 0.000 1.096 846 I HN 0.111 nan 8.210 nan 0.000 0.443 847 N N -0.364 118.419 118.700 0.140 0.000 2.220 847 N HA 0.033 4.880 4.740 0.179 0.000 0.182 847 N C 1.306 176.857 175.510 0.068 0.000 1.023 847 N CA 0.873 53.996 53.050 0.121 0.000 0.856 847 N CB 0.366 38.918 38.487 0.108 0.000 0.997 847 N HN 0.419 nan 8.380 nan 0.000 0.429 848 G N 1.003 109.810 108.800 0.012 0.000 2.848 848 G HA2 -0.284 3.783 3.960 0.179 0.000 0.246 848 G HA3 -0.284 3.783 3.960 0.179 0.000 0.246 848 G C 0.569 175.372 174.900 -0.162 0.000 1.374 848 G CA 0.075 45.143 45.100 -0.053 0.000 0.982 848 G HN 0.154 nan 8.290 nan 0.000 0.563 849 L N 0.904 121.932 121.223 -0.326 0.000 2.217 849 L HA 0.030 4.477 4.340 0.179 0.000 0.211 849 L C 2.913 179.607 176.870 -0.293 0.000 1.107 849 L CA 1.958 56.516 54.840 -0.469 0.000 0.783 849 L CB -0.446 41.005 42.059 -1.012 0.000 0.919 849 L HN 0.594 nan 8.230 nan 0.000 0.442 850 Q N 0.769 120.497 119.800 -0.121 0.000 2.030 850 Q HA -0.199 4.249 4.340 0.179 0.000 0.204 850 Q C 2.330 178.336 176.000 0.010 0.000 0.986 850 Q CA 2.220 58.044 55.803 0.036 0.000 0.843 850 Q CB -0.322 28.539 28.738 0.205 0.000 0.904 850 Q HN 0.434 nan 8.270 nan 0.000 0.420 851 A N 0.222 123.045 122.820 0.004 0.000 1.986 851 A HA -0.287 4.140 4.320 0.179 0.000 0.220 851 A C 2.001 179.577 177.584 -0.014 0.000 1.171 851 A CA 1.893 53.930 52.037 0.001 0.000 0.640 851 A CB -0.724 18.274 19.000 -0.003 0.000 0.811 851 A HN 0.629 nan 8.150 nan 0.000 0.451 852 E N -0.707 119.474 120.200 -0.031 0.000 2.005 852 E HA -0.138 4.319 4.350 0.179 0.000 0.191 852 E C 1.717 178.298 176.600 -0.032 0.000 0.987 852 E CA 0.894 57.280 56.400 -0.022 0.000 0.814 852 E CB -0.225 29.480 29.700 0.008 0.000 0.772 852 E HN 0.300 nan 8.360 nan 0.000 0.453 853 L N 1.755 122.950 121.223 -0.046 0.000 2.211 853 L HA -0.212 4.235 4.340 0.179 0.000 0.216 853 L C 1.131 177.983 176.870 -0.030 0.000 1.092 853 L CA 1.693 56.494 54.840 -0.065 0.000 0.767 853 L CB -0.713 41.297 42.059 -0.083 0.000 0.894 853 L HN 0.186 nan 8.230 nan 0.000 0.437 854 D N -0.524 119.870 120.400 -0.009 0.000 2.395 854 D HA 0.313 5.061 4.640 0.179 0.000 0.226 854 D C 1.076 177.374 176.300 -0.003 0.000 1.146 854 D CA 0.690 54.694 54.000 0.006 0.000 0.830 854 D CB -0.131 40.684 40.800 0.025 0.000 0.958 854 D HN 0.269 nan 8.370 nan 0.000 0.501 855 G N -0.070 108.721 108.800 -0.015 0.000 2.473 855 G HA2 0.076 4.143 3.960 0.179 0.000 0.289 855 G HA3 0.076 4.143 3.960 0.179 0.000 0.289 855 G C 0.475 175.368 174.900 -0.012 0.000 1.084 855 G CA -0.108 44.982 45.100 -0.016 0.000 1.215 855 G HN 0.615 nan 8.290 nan 0.000 0.527 856 G N -0.829 107.963 108.800 -0.014 0.000 2.933 856 G HA2 1.032 5.099 3.960 0.179 0.000 0.203 856 G HA3 1.032 5.099 3.960 0.179 0.000 0.203 856 G C 0.754 175.644 174.900 -0.015 0.000 1.170 856 G CA 1.503 46.596 45.100 -0.011 0.000 0.880 856 G HN 2.306 nan 8.290 nan 0.000 0.573 857 A N -0.399 122.412 122.820 -0.015 0.000 5.695 857 A HA -0.176 4.252 4.320 0.179 0.000 0.297 857 A C 0.951 178.525 177.584 -0.016 0.000 1.947 857 A CA 1.991 54.017 52.037 -0.018 0.000 0.717 857 A CB -1.698 17.290 19.000 -0.020 0.000 1.252 857 A HN 1.673 nan 8.150 nan 0.000 0.378 858 K N 0.510 120.901 120.400 -0.015 0.000 2.494 858 K HA 0.380 4.807 4.320 0.179 0.000 0.273 858 K C 0.533 177.124 176.600 -0.015 0.000 0.970 858 K CA 0.316 56.597 56.287 -0.009 0.000 0.963 858 K CB 0.130 32.628 32.500 -0.004 0.000 0.913 858 K HN 1.836 nan 8.250 nan 0.000 0.502 859 A N 5.144 127.954 122.820 -0.018 0.000 2.546 859 A HA 0.185 4.612 4.320 0.179 0.000 0.243 859 A C -2.104 175.459 177.584 -0.033 0.000 1.063 859 A CA -1.026 50.982 52.037 -0.047 0.000 0.757 859 A CB -0.533 18.406 19.000 -0.101 0.000 0.991 859 A HN 0.623 nan 8.150 nan 0.000 0.503 860 P HA 0.207 nan 4.420 nan 0.000 0.276 860 P C -0.425 176.844 177.300 -0.053 0.000 1.252 860 P CA -0.694 62.377 63.100 -0.047 0.000 0.802 860 P CB 0.422 32.085 31.700 -0.062 0.000 1.035 861 N N 0.507 119.178 118.700 -0.048 0.000 2.452 861 N HA 0.151 4.998 4.740 0.179 0.000 0.266 861 N C -0.480 174.933 175.510 -0.160 0.000 1.175 861 N CA 0.019 53.035 53.050 -0.056 0.000 0.945 861 N CB -0.340 38.130 38.487 -0.028 0.000 1.063 861 N HN 0.277 nan 8.380 nan 0.000 0.472 862 I N 1.571 121.964 120.570 -0.295 0.000 2.352 862 I HA 0.056 4.333 4.170 0.179 0.000 0.290 862 I C 0.256 175.996 176.117 -0.627 0.000 1.036 862 I CA -0.476 60.442 61.300 -0.637 0.000 1.336 862 I CB 0.782 38.019 38.000 -1.272 0.000 1.407 862 I HN 0.449 nan 8.210 nan 0.000 0.497 863 D N 6.440 126.611 120.400 -0.381 0.000 2.455 863 D HA 0.022 4.770 4.640 0.179 0.000 0.234 863 D C 0.648 176.863 176.300 -0.143 0.000 1.224 863 D CA -0.018 53.879 54.000 -0.172 0.000 0.999 863 D CB 0.252 41.017 40.800 -0.058 0.000 1.072 863 D HN 0.383 nan 8.370 nan 0.000 0.514 864 W N 2.530 123.845 121.300 0.024 0.000 2.358 864 W HA -0.134 4.691 4.660 0.274 0.000 0.303 864 W C 2.009 178.552 176.519 0.040 0.000 1.208 864 W CA 0.021 57.356 57.345 -0.015 0.000 1.274 864 W CB -0.492 28.925 29.460 -0.072 0.000 1.138 864 W HN 0.430 nan 8.180 nan 0.000 0.515 865 F N 2.048 122.122 119.950 0.208 0.000 2.120 865 F HA -0.297 4.335 4.527 0.175 0.000 0.300 865 F C 2.389 178.299 175.800 0.183 0.000 1.095 865 F CA 2.233 60.328 58.000 0.160 0.000 1.249 865 F CB -0.525 38.511 39.000 0.059 0.000 0.995 865 F HN -0.260 nan 8.300 nan 0.000 0.480 866 K N 0.300 120.796 120.400 0.160 0.000 2.063 866 K HA -0.243 4.184 4.320 0.179 0.000 0.208 866 K C 2.324 178.951 176.600 0.044 0.000 1.048 866 K CA 1.993 58.335 56.287 0.091 0.000 0.928 866 K CB -0.470 32.097 32.500 0.113 0.000 0.713 866 K HN 0.454 nan 8.250 nan 0.000 0.442 867 M N 0.219 119.853 119.600 0.057 0.000 2.175 867 M HA -0.183 4.404 4.480 0.179 0.000 0.264 867 M C 1.364 177.734 176.300 0.116 0.000 1.063 867 M CA 1.794 57.142 55.300 0.080 0.000 1.119 867 M CB -0.013 32.639 32.600 0.086 0.000 1.377 867 M HN 0.182 nan 8.290 nan 0.000 0.415 868 E N -0.950 119.310 120.200 0.101 0.000 2.107 868 E HA -0.200 4.257 4.350 0.179 0.000 0.191 868 E C 1.605 178.374 176.600 0.281 0.000 0.982 868 E CA 1.121 57.666 56.400 0.243 0.000 0.809 868 E CB -0.175 29.683 29.700 0.264 0.000 0.756 868 E HN 0.504 nan 8.360 nan 0.000 0.459 869 Y N 1.564 121.747 120.300 -0.194 0.000 2.439 869 Y HA -0.132 4.522 4.550 0.174 0.000 0.292 869 Y C 1.832 177.758 175.900 0.043 0.000 1.130 869 Y CA 1.071 59.063 58.100 -0.180 0.000 1.254 869 Y CB 0.016 38.135 38.460 -0.568 0.000 1.000 869 Y HN 0.024 nan 8.280 nan 0.000 0.554 870 D N -1.153 119.339 120.400 0.154 0.000 2.117 870 D HA -0.266 4.481 4.640 0.179 0.000 0.197 870 D C 2.031 178.424 176.300 0.155 0.000 0.987 870 D CA 1.511 55.592 54.000 0.134 0.000 0.829 870 D CB -0.518 40.366 40.800 0.140 0.000 0.961 870 D HN 0.417 nan 8.370 nan 0.000 0.460 871 W N 0.315 121.658 121.300 0.071 0.000 2.418 871 W HA -0.082 4.705 4.660 0.212 0.000 0.292 871 W C 2.063 178.604 176.519 0.035 0.000 1.213 871 W CA 1.100 58.501 57.345 0.093 0.000 1.283 871 W CB -0.285 29.287 29.460 0.186 0.000 1.119 871 W HN -0.165 nan 8.180 nan 0.000 0.542 872 V N 1.416 121.400 119.914 0.116 0.000 2.392 872 V HA -0.346 3.882 4.120 0.179 0.000 0.249 872 V C 1.329 177.264 176.094 -0.265 0.000 1.059 872 V CA 2.452 64.666 62.300 -0.144 0.000 1.051 872 V CB -0.997 30.745 31.823 -0.134 0.000 0.658 872 V HN 0.252 nan 8.190 nan 0.000 0.455 873 N N -1.119 117.469 118.700 -0.185 0.000 2.398 873 N HA 0.050 4.897 4.740 0.179 0.000 0.188 873 N C 0.412 175.848 175.510 -0.124 0.000 1.122 873 N CA 0.054 53.049 53.050 -0.091 0.000 0.866 873 N CB 0.150 38.598 38.487 -0.065 0.000 0.970 873 N HN 0.472 nan 8.380 nan 0.000 0.462 874 K N 1.175 121.448 120.400 -0.212 0.000 2.295 874 K HA 0.155 4.582 4.320 0.179 0.000 0.270 874 K C -0.156 176.311 176.600 -0.222 0.000 1.011 874 K CA 0.059 56.220 56.287 -0.209 0.000 0.953 874 K CB 0.615 32.976 32.500 -0.232 0.000 0.956 874 K HN -0.129 nan 8.250 nan 0.000 0.477 875 K N 1.173 121.459 120.400 -0.190 0.000 2.221 875 K HA 0.168 4.595 4.320 0.179 0.000 0.258 875 K C 0.560 177.062 176.600 -0.164 0.000 0.944 875 K CA -0.394 55.788 56.287 -0.176 0.000 0.823 875 K CB 1.877 34.269 32.500 -0.181 0.000 1.113 875 K HN 0.431 nan 8.250 nan 0.000 0.431 876 S N 1.233 116.857 115.700 -0.126 0.000 2.419 876 S HA -0.160 4.417 4.470 0.179 0.000 0.233 876 S C 1.007 175.543 174.600 -0.107 0.000 1.016 876 S CA 1.739 59.881 58.200 -0.096 0.000 0.974 876 S CB -0.056 63.114 63.200 -0.050 0.000 0.786 876 S HN 0.678 nan 8.310 nan 0.000 0.492 877 D N 0.326 120.654 120.400 -0.119 0.000 2.339 877 D HA 0.006 4.753 4.640 0.179 0.000 0.217 877 D C 1.444 177.653 176.300 -0.152 0.000 1.050 877 D CA 1.054 54.987 54.000 -0.111 0.000 0.856 877 D CB -0.302 40.445 40.800 -0.089 0.000 0.922 877 D HN 0.531 nan 8.370 nan 0.000 0.518 878 T N -4.419 110.004 114.554 -0.219 0.000 3.048 878 T HA 0.095 4.552 4.350 0.179 0.000 0.254 878 T C 1.053 175.637 174.700 -0.193 0.000 0.942 878 T CA -0.084 61.838 62.100 -0.297 0.000 0.931 878 T CB 0.522 68.944 68.868 -0.743 0.000 1.220 878 T HN -0.151 nan 8.240 nan 0.000 0.503 879 D N 1.523 121.816 120.400 -0.178 0.000 2.435 879 D HA 0.219 4.966 4.640 0.179 0.000 0.257 879 D C 0.358 176.583 176.300 -0.124 0.000 1.290 879 D CA 0.289 54.215 54.000 -0.123 0.000 0.994 879 D CB 0.411 41.137 40.800 -0.123 0.000 1.014 879 D HN 0.322 nan 8.370 nan 0.000 0.378 880 K N 0.479 120.772 120.400 -0.177 0.000 2.482 880 K HA 0.328 4.755 4.320 0.179 0.000 0.251 880 K C -1.699 174.707 176.600 -0.324 0.000 0.936 880 K CA -0.636 55.495 56.287 -0.260 0.000 0.791 880 K CB 1.901 34.190 32.500 -0.352 0.000 1.213 880 K HN -0.045 nan 8.250 nan 0.000 0.428 881 L N 5.275 126.352 121.223 -0.243 0.000 2.261 881 L HA 0.351 4.798 4.340 0.179 0.000 0.289 881 L C -1.422 175.345 176.870 -0.171 0.000 1.059 881 L CA -0.109 54.640 54.840 -0.152 0.000 0.816 881 L CB -0.071 41.945 42.059 -0.073 0.000 1.191 881 L HN 0.496 nan 8.230 nan 0.000 0.431 882 Y N 6.367 126.685 120.300 0.030 0.000 2.411 882 Y HA 0.324 4.983 4.550 0.182 0.000 0.333 882 Y C -1.549 174.371 175.900 0.033 0.000 1.186 882 Y CA -1.652 56.481 58.100 0.054 0.000 1.381 882 Y CB -0.244 38.274 38.460 0.097 0.000 1.273 882 Y HN 0.567 nan 8.280 nan 0.000 0.546 883 P HA 0.016 nan 4.420 nan 0.000 0.269 883 P C 0.266 177.616 177.300 0.083 0.000 1.209 883 P CA -0.082 63.078 63.100 0.100 0.000 0.776 883 P CB 0.835 32.583 31.700 0.081 0.000 0.876 884 T N -2.851 111.733 114.554 0.049 0.000 3.085 884 T HA 0.212 4.670 4.350 0.179 0.000 0.264 884 T C 0.263 174.970 174.700 0.012 0.000 1.019 884 T CA -0.125 61.992 62.100 0.028 0.000 0.910 884 T CB -0.011 68.873 68.868 0.027 0.000 1.059 884 T HN 0.316 nan 8.240 nan 0.000 0.542 885 E N 1.602 121.812 120.200 0.016 0.000 2.176 885 E HA 0.674 5.131 4.350 0.179 0.000 0.267 885 E C -0.253 176.349 176.600 0.004 0.000 0.893 885 E CA -0.574 55.831 56.400 0.008 0.000 0.761 885 E CB 1.396 31.104 29.700 0.013 0.000 1.133 885 E HN 0.387 nan 8.360 nan 0.000 0.409 886 A N 3.273 126.087 122.820 -0.010 0.000 2.366 886 A HA 0.472 4.899 4.320 0.179 0.000 0.249 886 A C 0.322 177.903 177.584 -0.005 0.000 1.084 886 A CA 0.117 52.144 52.037 -0.017 0.000 0.794 886 A CB 0.203 19.180 19.000 -0.038 0.000 1.034 886 A HN 0.778 nan 8.150 nan 0.000 0.491 887 S N -0.215 115.482 115.700 -0.006 0.000 2.707 887 S HA 0.242 4.819 4.470 0.179 0.000 0.276 887 S C 0.218 174.818 174.600 0.001 0.000 1.179 887 S CA -0.293 57.907 58.200 -0.001 0.000 0.992 887 S CB 0.610 63.807 63.200 -0.004 0.000 1.030 887 S HN 0.647 nan 8.310 nan 0.000 0.554 888 N N 0.269 118.973 118.700 0.006 0.000 2.276 888 N HA 0.092 4.939 4.740 0.179 0.000 0.212 888 N C -0.563 174.953 175.510 0.011 0.000 1.127 888 N CA -0.187 52.873 53.050 0.018 0.000 0.834 888 N CB 0.187 38.688 38.487 0.022 0.000 1.014 888 N HN 0.577 nan 8.380 nan 0.000 0.491 889 E N 1.419 121.612 120.200 -0.012 0.000 2.437 889 E HA -0.068 4.389 4.350 0.179 0.000 0.263 889 E C -0.265 176.303 176.600 -0.054 0.000 1.030 889 E CA 0.394 56.770 56.400 -0.040 0.000 0.934 889 E CB 0.594 30.257 29.700 -0.060 0.000 0.943 889 E HN 0.232 nan 8.360 nan 0.000 0.444 890 N N 3.350 121.990 118.700 -0.099 0.000 2.420 890 N HA 0.044 4.891 4.740 0.179 0.000 0.249 890 N C 0.852 176.141 175.510 -0.369 0.000 1.033 890 N CA -0.061 52.873 53.050 -0.194 0.000 0.944 890 N CB 0.599 38.984 38.487 -0.170 0.000 1.113 890 N HN 0.400 nan 8.380 nan 0.000 0.502 891 L N 2.990 123.929 121.223 -0.473 0.000 2.131 891 L HA -0.055 4.392 4.340 0.179 0.000 0.210 891 L C 2.349 178.789 176.870 -0.717 0.000 1.092 891 L CA 1.336 55.791 54.840 -0.643 0.000 0.759 891 L CB -0.329 41.274 42.059 -0.760 0.000 0.903 891 L HN 0.615 nan 8.230 nan 0.000 0.435 892 G N -0.560 107.780 108.800 -0.766 0.000 2.446 892 G HA2 -0.253 3.814 3.960 0.179 0.000 0.217 892 G HA3 -0.253 3.814 3.960 0.179 0.000 0.217 892 G C 1.493 176.298 174.900 -0.159 0.000 1.168 892 G CA 0.471 45.416 45.100 -0.259 0.000 0.771 892 G HN 0.232 nan 8.290 nan 0.000 0.551 893 E N 0.126 120.185 120.200 -0.235 0.000 2.051 893 E HA -0.059 4.398 4.350 0.179 0.000 0.192 893 E C 2.687 179.224 176.600 -0.105 0.000 0.991 893 E CA 0.474 56.800 56.400 -0.124 0.000 0.799 893 E CB -0.451 29.180 29.700 -0.114 0.000 0.748 893 E HN 0.259 nan 8.360 nan 0.000 0.449 894 L N 0.752 121.875 121.223 -0.166 0.000 2.079 894 L HA -0.129 4.318 4.340 0.179 0.000 0.210 894 L C 2.305 179.107 176.870 -0.114 0.000 1.081 894 L CA 1.733 56.484 54.840 -0.149 0.000 0.752 894 L CB -1.312 40.622 42.059 -0.210 0.000 0.896 894 L HN 0.040 nan 8.230 nan 0.000 0.433 895 A N -0.849 121.895 122.820 -0.126 0.000 1.902 895 A HA -0.226 4.202 4.320 0.179 0.000 0.217 895 A C 2.349 179.955 177.584 0.037 0.000 1.181 895 A CA 1.632 53.660 52.037 -0.015 0.000 0.623 895 A CB -0.373 18.712 19.000 0.141 0.000 0.818 895 A HN 0.383 nan 8.150 nan 0.000 0.443 896 K N -0.290 120.129 120.400 0.032 0.000 2.032 896 K HA -0.115 4.312 4.320 0.179 0.000 0.209 896 K C 1.770 178.393 176.600 0.040 0.000 1.048 896 K CA 1.752 58.062 56.287 0.038 0.000 0.927 896 K CB -0.462 32.055 32.500 0.027 0.000 0.712 896 K HN 0.553 nan 8.250 nan 0.000 0.441 897 I N 1.071 121.665 120.570 0.039 0.000 2.264 897 I HA -0.298 3.980 4.170 0.179 0.000 0.248 897 I C 2.547 178.763 176.117 0.164 0.000 1.111 897 I CA 1.125 62.477 61.300 0.087 0.000 1.382 897 I CB -0.493 37.562 38.000 0.092 0.000 1.060 897 I HN 0.174 nan 8.210 nan 0.000 0.418 898 A N 0.901 123.794 122.820 0.121 0.000 1.858 898 A HA -0.210 4.217 4.320 0.179 0.000 0.216 898 A C 2.346 179.997 177.584 0.112 0.000 1.190 898 A CA 1.594 53.714 52.037 0.139 0.000 0.617 898 A CB -0.467 18.551 19.000 0.031 0.000 0.827 898 A HN 0.255 nan 8.150 nan 0.000 0.443 899 M N -0.631 119.011 119.600 0.070 0.000 2.117 899 M HA -0.125 4.463 4.480 0.179 0.000 0.262 899 M C 2.038 178.363 176.300 0.042 0.000 1.065 899 M CA 1.909 57.242 55.300 0.055 0.000 1.114 899 M CB -1.405 31.223 32.600 0.047 0.000 1.361 899 M HN 0.716 nan 8.290 nan 0.000 0.408 900 E N -0.348 119.869 120.200 0.029 0.000 2.072 900 E HA -0.112 4.345 4.350 0.179 0.000 0.191 900 E C 1.465 178.036 176.600 -0.048 0.000 0.985 900 E CA 1.657 58.057 56.400 -0.000 0.000 0.801 900 E CB 0.329 30.028 29.700 -0.002 0.000 0.750 900 E HN 0.428 nan 8.360 nan 0.000 0.452 901 S N -1.347 114.282 115.700 -0.118 0.000 2.613 901 S HA 0.104 4.681 4.470 0.179 0.000 0.235 901 S C 0.066 174.366 174.600 -0.500 0.000 1.073 901 S CA -0.274 57.687 58.200 -0.398 0.000 0.899 901 S CB 0.345 63.114 63.200 -0.717 0.000 0.818 901 S HN 0.260 nan 8.310 nan 0.000 0.484 902 Y N 2.695 123.002 120.300 0.011 0.000 2.672 902 Y HA 0.482 5.142 4.550 0.182 0.000 0.272 902 Y C 0.651 176.494 175.900 -0.094 0.000 1.055 902 Y CA -0.853 57.189 58.100 -0.096 0.000 1.151 902 Y CB 0.168 38.495 38.460 -0.221 0.000 1.190 902 Y HN 0.178 nan 8.280 nan 0.000 0.574 903 S N -2.117 113.674 115.700 0.151 0.000 2.739 903 S HA 0.523 5.100 4.470 0.179 0.000 0.306 903 S C 0.620 175.350 174.600 0.217 0.000 1.115 903 S CA -0.599 57.684 58.200 0.137 0.000 0.985 903 S CB 1.652 64.910 63.200 0.098 0.000 1.133 903 S HN -0.046 nan 8.310 nan 0.000 0.541 904 V N 1.024 121.038 119.914 0.167 0.000 2.535 904 V HA -0.059 4.168 4.120 0.179 0.000 0.246 904 V C 2.576 178.736 176.094 0.110 0.000 1.045 904 V CA 2.038 64.433 62.300 0.160 0.000 1.058 904 V CB -1.303 30.596 31.823 0.127 0.000 0.689 904 V HN 1.023 nan 8.190 nan 0.000 0.461 905 T N 1.320 115.929 114.554 0.093 0.000 2.622 905 T HA -0.165 4.292 4.350 0.179 0.000 0.266 905 T C 1.452 176.187 174.700 0.058 0.000 1.047 905 T CA 1.821 63.961 62.100 0.067 0.000 1.159 905 T CB -0.338 68.566 68.868 0.059 0.000 0.863 905 T HN 0.500 nan 8.240 nan 0.000 0.422 906 N N 0.824 119.562 118.700 0.063 0.000 2.322 906 N HA 0.175 5.022 4.740 0.179 0.000 0.194 906 N C 1.532 177.074 175.510 0.054 0.000 1.126 906 N CA -0.077 53.002 53.050 0.049 0.000 0.845 906 N CB -0.198 38.313 38.487 0.040 0.000 0.976 906 N HN 0.384 nan 8.380 nan 0.000 0.475 907 M N 0.665 120.310 119.600 0.076 0.000 2.192 907 M HA -0.235 4.352 4.480 0.179 0.000 0.259 907 M C -0.636 175.657 176.300 -0.012 0.000 1.071 907 M CA 1.776 57.108 55.300 0.053 0.000 1.082 907 M CB 0.021 32.656 32.600 0.058 0.000 1.373 907 M HN 0.040 nan 8.290 nan 0.000 0.408 908 D N -2.719 117.680 120.400 -0.001 0.000 9.591 908 D HA 0.154 4.902 4.640 0.179 0.000 0.340 908 D C -0.834 175.454 176.300 -0.021 0.000 2.928 908 D CA 1.139 55.130 54.000 -0.015 0.000 2.361 908 D CB -0.480 40.305 40.800 -0.026 0.000 1.239 908 D HN 0.454 nan 8.370 nan 0.000 1.028 909 K N 0.000 120.385 120.400 -0.026 0.000 2.780 909 K HA 0.000 4.427 4.320 0.179 0.000 0.191 909 K CA 0.000 nan 56.287 nan 0.000 0.838 909 K CB 0.000 nan 32.500 nan 0.000 1.064 909 K HN 0.000 nan 8.250 nan 0.000 0.543