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 1s0f_1_A DATA FIRST_RESID 1 DATA SEQUENCE PVTINNFNYN DPIDNNNIIM MEPPFARGTG RYYKAFKITD RIWIIPERYT DATA SEQUENCE FGYKPEDFNK SSGIFNRDVC EYYDPDYLNT NDKKNIFLQT MIKLFNRIKS DATA SEQUENCE KPLGEKLLEM IINGIPYLGD RRVPLEEFNT NIASVTVNKL ISNPGEVERK DATA SEQUENCE KGIFANLIIF GPGPVLNENE TIDIGIQNHF ASREGFGGIM QMKFCPEYVS DATA SEQUENCE VFNNVQENKG ASIFNRRGYF SDPALILMHE LIHVLHGLYG IKVDDLPIVP DATA SEQUENCE NEKKFFMQST DAIQAEELYT FGGQDPSIIT PSTDKSIYDK VLQNFRGIVD DATA SEQUENCE RLNKVLVCIS DPNININIYK NKFKDKYKFV EDSEGKYSID VESFDKLYKS DATA SEQUENCE LMFGFTETNI AENYKIKTRA SYFSDSLPPV KIKNLLDNEI YTIEEGFNIS DATA SEQUENCE DKDMEKEYRG QNKAINKQAY EEISKEHLAV YKIQMCKSVX XXGICIDVDN DATA SEQUENCE EDLFFIADKN SFSDDLSKNE RIEYNTQSNY IENDFPINEL ILDTDLISKI DATA SEQUENCE ELPSENTESL TDFNVDVPVY EKQPAIKKIF TDENTIFQYL YSQTFPLDIR DATA SEQUENCE DISLTSSFDD ALLFSNKVYS FFSMDYIKTA NKVVEAGLFA GWVKQIVNDF DATA SEQUENCE VIEANKSNTM DKIADISLIV PYIGLALNVG NETAKGNFEN AFEIAGASIL DATA SEQUENCE LEFIPELLIP VVGAFLLESY IDNKNKIIKT IDNALTKRNE KWSDMYGLIV DATA SEQUENCE AQWLSTVNTQ FYTIKEGMYK ALNYQAQALE EIIKYRYNIY SEKEKSNINI DATA SEQUENCE DFNDINSKLN EGINQAIDNI NNFINGCSVS YLMKKMIPLA VEKLLDFDNT DATA SEQUENCE LKKNLLNYID ENKLYLIGSA EYEKSKVNKY LKTIMPFDLS IYTNDTILIE DATA SEQUENCE MFNKYNSEIL NNIILNLRYK DNNLIDLSGY GAKVEVYDGV ELNDKNQFKL DATA SEQUENCE TSSANSKIRV TQNQNIIFNS VFLDFSVSFW IRIPKYKNDG IQNYIHNEYT DATA SEQUENCE IINCMKNNSG WKISIRGNRI IWTLIDINGK TKSVFFEYNI REDISEYINR DATA SEQUENCE WFFVTITNNL NNAKIYINGK LESNTDIKDI REVIANGEII FKLDGDIDRT DATA SEQUENCE QFIWMKYFSI FNTELSQSNI EERYKIQSYS EYLKDFWGNP LMYNKEYYMF DATA SEQUENCE NAGNKNSYIK LKKDSPVGEI LTRSKYNQNS KYINYRDLYI GEKFIIRRKS DATA SEQUENCE XXXXXXXDIV RKEDYIYLDF FNLNQEWRVY TYKYFKKEEE KLFLAPISDS DATA SEQUENCE DEFYNTIQIK EYDEQPTYSC QLLFKKDEES TDEIGLIGIH RFYESGXXXX DATA SEQUENCE EYKDYFCISK WYLKEVKRKP YNLKLGCNWQ FIPKDEGWTE 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.302 177.300 0.003 0.000 1.155 1 P CA 0.000 63.102 63.100 0.003 0.000 0.800 1 P CB 0.000 31.704 31.700 0.007 0.000 0.726 2 V N 1.159 121.080 119.914 0.011 0.000 2.370 2 V HA 0.519 4.638 4.120 -0.001 0.000 0.283 2 V C -0.194 175.905 176.094 0.008 0.000 1.023 2 V CA -0.083 62.226 62.300 0.015 0.000 0.857 2 V CB 1.241 33.087 31.823 0.038 0.000 0.985 2 V HN 0.508 nan 8.190 nan 0.000 0.443 3 T N 6.522 121.069 114.554 -0.012 0.000 2.767 3 T HA 0.515 4.865 4.350 -0.001 0.000 0.288 3 T C -0.125 174.545 174.700 -0.051 0.000 0.963 3 T CA -0.249 61.831 62.100 -0.033 0.000 1.019 3 T CB 0.693 69.531 68.868 -0.050 0.000 0.923 3 T HN 0.288 nan 8.240 nan 0.000 0.468 4 I N 4.492 125.029 120.570 -0.056 0.000 2.307 4 I HA 0.253 4.422 4.170 -0.001 0.000 0.289 4 I C 0.565 176.579 176.117 -0.171 0.000 1.021 4 I CA -0.801 60.445 61.300 -0.090 0.000 1.224 4 I CB 0.514 38.498 38.000 -0.028 0.000 1.376 4 I HN 0.539 nan 8.210 nan 0.000 0.470 5 N N 6.098 124.642 118.700 -0.261 0.000 2.399 5 N HA 0.212 4.951 4.740 -0.001 0.000 0.250 5 N C -0.247 174.850 175.510 -0.688 0.000 1.272 5 N CA -0.034 52.731 53.050 -0.475 0.000 0.928 5 N CB 0.851 38.989 38.487 -0.581 0.000 1.158 5 N HN 0.477 nan 8.380 nan 0.000 0.463 6 N N 0.614 118.827 118.700 -0.812 0.000 2.258 6 N HA 0.540 5.279 4.740 -0.001 0.000 0.299 6 N C -1.050 174.033 175.510 -0.711 0.000 1.047 6 N CA -0.260 52.424 53.050 -0.611 0.000 0.814 6 N CB 1.448 39.781 38.487 -0.257 0.000 1.413 6 N HN 0.311 nan 8.380 nan 0.000 0.478 7 F N -0.830 119.135 119.950 0.025 0.000 2.789 7 F HA 0.467 4.994 4.527 -0.001 0.000 0.319 7 F C -0.240 175.586 175.800 0.044 0.000 1.168 7 F CA -1.061 56.987 58.000 0.081 0.000 0.934 7 F CB 1.226 40.369 39.000 0.238 0.000 1.375 7 F HN 0.134 nan 8.300 nan 0.000 0.480 8 N N -0.120 118.785 118.700 0.341 0.000 2.258 8 N HA 0.151 4.890 4.740 -0.001 0.000 0.299 8 N C -0.033 175.618 175.510 0.235 0.000 1.047 8 N CA -0.507 52.666 53.050 0.206 0.000 0.814 8 N CB 2.145 40.730 38.487 0.162 0.000 1.413 8 N HN 0.759 nan 8.380 nan 0.000 0.478 9 Y N 3.157 123.463 120.300 0.008 0.000 2.132 9 Y HA -0.231 4.319 4.550 -0.001 0.000 0.280 9 Y C 1.627 177.700 175.900 0.289 0.000 1.193 9 Y CA 2.016 60.162 58.100 0.077 0.000 1.157 9 Y CB 0.023 38.491 38.460 0.012 0.000 0.966 9 Y HN 0.580 nan 8.280 nan 0.000 0.511 10 N N 0.636 119.439 118.700 0.171 0.000 2.515 10 N HA -0.074 4.665 4.740 -0.001 0.000 0.185 10 N C -0.326 175.216 175.510 0.054 0.000 1.109 10 N CA 0.704 53.797 53.050 0.072 0.000 0.903 10 N CB -0.472 38.082 38.487 0.112 0.000 0.969 10 N HN 0.385 nan 8.380 nan 0.000 0.450 11 D N 1.791 122.263 120.400 0.119 0.000 2.443 11 D HA 0.070 4.709 4.640 -0.001 0.000 0.234 11 D C -2.057 174.253 176.300 0.018 0.000 1.172 11 D CA -0.534 53.528 54.000 0.103 0.000 0.878 11 D CB 0.164 41.081 40.800 0.196 0.000 1.204 11 D HN 0.084 nan 8.370 nan 0.000 0.453 12 P HA 0.164 nan 4.420 nan 0.000 0.274 12 P C -0.030 177.223 177.300 -0.079 0.000 1.231 12 P CA -0.319 62.755 63.100 -0.042 0.000 0.790 12 P CB 0.607 32.294 31.700 -0.021 0.000 0.951 13 I N 2.457 122.960 120.570 -0.112 0.000 2.692 13 I HA 0.005 4.174 4.170 -0.001 0.000 0.284 13 I C 1.121 177.190 176.117 -0.079 0.000 1.159 13 I CA 0.873 62.092 61.300 -0.134 0.000 1.423 13 I CB 0.453 38.370 38.000 -0.139 0.000 1.380 13 I HN 0.524 nan 8.210 nan 0.000 0.580 14 D N 3.968 124.330 120.400 -0.063 0.000 2.525 14 D HA -0.026 4.614 4.640 -0.001 0.000 0.231 14 D C 0.291 176.577 176.300 -0.022 0.000 1.216 14 D CA -0.162 53.821 54.000 -0.029 0.000 0.813 14 D CB 0.028 40.827 40.800 -0.002 0.000 1.108 14 D HN 0.543 nan 8.370 nan 0.000 0.524 15 N N 0.606 119.286 118.700 -0.034 0.000 2.778 15 N HA -0.230 4.509 4.740 -0.001 0.000 0.249 15 N C 0.321 175.846 175.510 0.026 0.000 1.069 15 N CA 1.289 54.324 53.050 -0.026 0.000 0.831 15 N CB -1.924 36.537 38.487 -0.043 0.000 1.142 15 N HN 0.654 nan 8.380 nan 0.000 0.573 16 N N -0.445 118.294 118.700 0.065 0.000 3.166 16 N HA 0.121 4.860 4.740 -0.001 0.000 0.242 16 N C 0.381 176.001 175.510 0.184 0.000 1.017 16 N CA -0.068 53.044 53.050 0.104 0.000 1.113 16 N CB 0.294 38.816 38.487 0.058 0.000 1.629 16 N HN -0.021 nan 8.380 nan 0.000 0.601 17 N N 0.180 118.955 118.700 0.126 0.000 2.282 17 N HA 0.342 5.082 4.740 -0.001 0.000 0.185 17 N C -0.658 174.896 175.510 0.074 0.000 1.099 17 N CA 0.275 53.384 53.050 0.099 0.000 0.878 17 N CB 1.449 40.020 38.487 0.140 0.000 0.993 17 N HN 0.284 nan 8.380 nan 0.000 0.481 18 I N 2.120 122.708 120.570 0.030 0.000 2.468 18 I HA 0.372 4.541 4.170 -0.001 0.000 0.284 18 I C -0.555 175.478 176.117 -0.140 0.000 1.038 18 I CA -0.707 60.468 61.300 -0.208 0.000 1.083 18 I CB 1.467 39.270 38.000 -0.329 0.000 1.223 18 I HN -0.117 nan 8.210 nan 0.000 0.443 19 I N 2.268 122.759 120.570 -0.132 0.000 3.294 19 I HA 0.631 4.800 4.170 -0.001 0.000 0.311 19 I C -1.046 174.954 176.117 -0.195 0.000 1.111 19 I CA -1.092 60.113 61.300 -0.157 0.000 0.976 19 I CB 2.341 40.231 38.000 -0.183 0.000 1.260 19 I HN 0.257 nan 8.210 nan 0.000 0.474 20 M N 3.517 123.020 119.600 -0.162 0.000 2.131 20 M HA 0.419 4.899 4.480 -0.001 0.000 0.345 20 M C -0.622 175.659 176.300 -0.032 0.000 1.060 20 M CA -0.398 54.843 55.300 -0.098 0.000 1.011 20 M CB 0.765 33.260 32.600 -0.174 0.000 1.328 20 M HN 0.700 nan 8.290 nan 0.000 0.396 21 M N 1.989 121.589 119.600 0.001 0.000 2.288 21 M HA 0.245 4.724 4.480 -0.001 0.000 0.334 21 M C -0.177 176.263 176.300 0.234 0.000 1.150 21 M CA 0.080 55.377 55.300 -0.005 0.000 1.118 21 M CB 1.054 33.522 32.600 -0.220 0.000 1.501 21 M HN 0.596 nan 8.290 nan 0.000 0.462 22 E N 5.397 125.705 120.200 0.179 0.000 2.121 22 E HA 0.415 4.764 4.350 -0.001 0.000 0.255 22 E C -2.459 174.159 176.600 0.031 0.000 0.906 22 E CA -2.194 54.273 56.400 0.111 0.000 0.745 22 E CB 0.943 30.698 29.700 0.092 0.000 1.155 22 E HN 0.364 nan 8.360 nan 0.000 0.424 23 P HA 0.000 nan 4.420 nan 0.000 0.267 23 P C -2.232 174.953 177.300 -0.191 0.000 1.200 23 P CA -0.945 62.113 63.100 -0.071 0.000 0.772 23 P CB 0.367 32.055 31.700 -0.020 0.000 0.855 24 P HA -0.164 nan 4.420 nan 0.000 0.217 24 P C 0.799 178.043 177.300 -0.094 0.000 1.151 24 P CA 1.644 64.629 63.100 -0.192 0.000 0.849 24 P CB -0.286 31.210 31.700 -0.339 0.000 0.787 25 F N -1.888 117.753 119.950 -0.516 0.000 2.797 25 F HA 0.221 4.747 4.527 -0.001 0.000 0.302 25 F C 1.985 177.460 175.800 -0.542 0.000 1.130 25 F CA -0.279 57.358 58.000 -0.605 0.000 1.387 25 F CB -0.035 38.461 39.000 -0.839 0.000 1.107 25 F HN -0.063 nan 8.300 nan 0.000 0.577 26 A N 0.373 123.037 122.820 -0.260 0.000 2.218 26 A HA 0.078 4.397 4.320 -0.001 0.000 0.209 26 A C 1.490 179.011 177.584 -0.105 0.000 1.168 26 A CA -0.006 52.009 52.037 -0.037 0.000 0.804 26 A CB -0.304 18.717 19.000 0.036 0.000 0.834 26 A HN 0.442 nan 8.150 nan 0.000 0.482 27 R N -2.459 117.978 120.500 -0.104 0.000 4.000 27 R HA -0.209 4.130 4.340 -0.001 0.000 0.348 27 R C 0.824 176.783 176.300 -0.568 0.000 1.204 27 R CA 0.629 56.654 56.100 -0.126 0.000 0.987 27 R CB -2.495 27.766 30.300 -0.065 0.000 1.446 27 R HN 1.591 nan 8.270 nan 0.000 0.555 28 G N 0.677 109.093 108.800 -0.639 0.000 2.353 28 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.294 28 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.294 28 G C -0.049 174.440 174.900 -0.686 0.000 1.077 28 G CA 0.658 45.161 45.100 -0.996 0.000 1.098 28 G HN 0.795 nan 8.290 nan 0.000 0.511 29 T N -2.338 111.972 114.554 -0.407 0.000 3.160 29 T HA 0.809 5.159 4.350 -0.001 0.000 0.344 29 T C 0.685 175.267 174.700 -0.196 0.000 0.981 29 T CA 0.830 62.778 62.100 -0.253 0.000 1.170 29 T CB 1.403 70.168 68.868 -0.173 0.000 1.016 29 T HN 2.531 nan 8.240 nan 0.000 0.492 30 G N 2.485 111.161 108.800 -0.206 0.000 2.396 30 G HA2 0.150 4.109 3.960 -0.001 0.000 0.254 30 G HA3 0.150 4.109 3.960 -0.001 0.000 0.254 30 G C -0.630 174.106 174.900 -0.273 0.000 1.248 30 G CA -0.735 44.268 45.100 -0.162 0.000 1.033 30 G HN 0.882 nan 8.290 nan 0.000 0.502 31 R N -0.541 119.856 120.500 -0.173 0.000 2.784 31 R HA 0.559 4.899 4.340 -0.001 0.000 0.266 31 R C -0.096 176.006 176.300 -0.330 0.000 1.044 31 R CA 0.336 56.348 56.100 -0.147 0.000 1.151 31 R CB -0.318 29.900 30.300 -0.138 0.000 1.037 31 R HN 0.504 nan 8.270 nan 0.000 0.478 32 Y N 0.752 120.975 120.300 -0.129 0.000 2.654 32 Y HA 0.447 4.996 4.550 -0.001 0.000 0.328 32 Y C -0.641 175.162 175.900 -0.162 0.000 1.174 32 Y CA -0.513 57.584 58.100 -0.004 0.000 1.293 32 Y CB 0.745 39.205 38.460 0.000 0.000 1.464 32 Y HN 0.386 nan 8.280 nan 0.000 0.559 33 Y N -0.435 119.985 120.300 0.200 0.000 2.442 33 Y HA 0.345 4.895 4.550 -0.001 0.000 0.344 33 Y C -0.186 175.760 175.900 0.078 0.000 0.976 33 Y CA -1.755 56.434 58.100 0.148 0.000 1.040 33 Y CB 1.686 40.259 38.460 0.188 0.000 1.228 33 Y HN 0.316 nan 8.280 nan 0.000 0.451 34 K N 2.233 122.746 120.400 0.189 0.000 2.416 34 K HA 0.635 4.954 4.320 -0.001 0.000 0.283 34 K C -0.712 175.934 176.600 0.075 0.000 1.037 34 K CA 0.034 56.328 56.287 0.011 0.000 0.995 34 K CB 0.266 32.721 32.500 -0.074 0.000 0.938 34 K HN 0.835 nan 8.250 nan 0.000 0.475 35 A N 4.176 126.931 122.820 -0.109 0.000 2.401 35 A HA 0.713 5.033 4.320 -0.001 0.000 0.310 35 A C -1.567 175.971 177.584 -0.078 0.000 1.075 35 A CA -0.781 51.309 52.037 0.087 0.000 0.746 35 A CB 0.706 19.744 19.000 0.064 0.000 1.277 35 A HN 0.576 nan 8.150 nan 0.000 0.425 36 F N 0.782 120.795 119.950 0.105 0.000 2.493 36 F HA 0.450 4.976 4.527 -0.001 0.000 0.329 36 F C 0.499 176.070 175.800 -0.382 0.000 1.126 36 F CA -0.761 57.014 58.000 -0.374 0.000 0.937 36 F CB 2.185 40.599 39.000 -0.976 0.000 1.146 36 F HN 0.560 nan 8.300 nan 0.000 0.442 37 K N 4.438 124.516 120.400 -0.537 0.000 2.278 37 K HA 0.218 4.537 4.320 -0.001 0.000 0.289 37 K C 1.005 177.564 176.600 -0.068 0.000 1.080 37 K CA 0.052 55.825 56.287 -0.857 0.000 0.934 37 K CB 0.226 32.078 32.500 -1.079 0.000 1.093 37 K HN 0.926 nan 8.250 nan 0.000 0.459 38 I N 2.967 123.454 120.570 -0.139 0.000 2.546 38 I HA -0.143 4.027 4.170 -0.001 0.000 0.255 38 I C 0.417 176.401 176.117 -0.222 0.000 1.163 38 I CA 1.089 62.333 61.300 -0.094 0.000 1.457 38 I CB 0.321 38.074 38.000 -0.411 0.000 1.092 38 I HN 0.765 nan 8.210 nan 0.000 0.434 39 T N -3.513 110.889 114.554 -0.253 0.000 2.711 39 T HA 0.238 4.588 4.350 -0.001 0.000 0.302 39 T C -0.969 173.618 174.700 -0.189 0.000 1.373 39 T CA -0.954 61.043 62.100 -0.172 0.000 1.000 39 T CB 1.161 69.977 68.868 -0.087 0.000 1.483 39 T HN -0.160 nan 8.240 nan 0.000 0.499 40 D N 1.560 121.892 120.400 -0.113 0.000 2.493 40 D HA 0.234 4.873 4.640 -0.001 0.000 0.240 40 D C 0.925 177.187 176.300 -0.063 0.000 1.142 40 D CA 0.480 54.426 54.000 -0.089 0.000 0.872 40 D CB 0.352 41.129 40.800 -0.039 0.000 1.173 40 D HN 0.613 nan 8.370 nan 0.000 0.467 41 R N 0.524 121.001 120.500 -0.038 0.000 3.884 41 R HA -0.205 4.135 4.340 -0.001 0.000 0.464 41 R C -0.104 176.249 176.300 0.088 0.000 0.963 41 R CA 0.773 56.925 56.100 0.087 0.000 1.408 41 R CB -2.005 28.353 30.300 0.097 0.000 2.054 41 R HN 0.559 nan 8.270 nan 0.000 0.522 42 I N 0.366 120.880 120.570 -0.094 0.000 2.378 42 I HA 0.328 4.497 4.170 -0.001 0.000 0.291 42 I C -0.103 175.870 176.117 -0.241 0.000 0.992 42 I CA -0.570 60.709 61.300 -0.034 0.000 1.154 42 I CB 1.088 39.092 38.000 0.007 0.000 1.315 42 I HN -0.112 nan 8.210 nan 0.000 0.448 43 W N 6.466 127.772 121.300 0.010 0.000 2.706 43 W HA 0.596 5.255 4.660 -0.001 0.000 0.346 43 W C -0.656 175.858 176.519 -0.008 0.000 1.071 43 W CA -0.550 56.789 57.345 -0.009 0.000 1.206 43 W CB 1.413 30.853 29.460 -0.033 0.000 1.413 43 W HN 0.053 nan 8.180 nan 0.000 0.542 44 I N 4.094 124.827 120.570 0.270 0.000 2.418 44 I HA 0.368 4.537 4.170 -0.001 0.000 0.287 44 I C -0.570 175.724 176.117 0.296 0.000 1.008 44 I CA -1.104 60.342 61.300 0.243 0.000 1.104 44 I CB 1.163 39.284 38.000 0.201 0.000 1.264 44 I HN 0.368 nan 8.210 nan 0.000 0.438 45 I N 8.227 128.888 120.570 0.151 0.000 2.502 45 I HA 0.211 4.380 4.170 -0.001 0.000 0.276 45 I C -1.924 174.284 176.117 0.153 0.000 1.057 45 I CA -1.509 59.865 61.300 0.125 0.000 1.163 45 I CB 1.928 39.778 38.000 -0.249 0.000 1.288 45 I HN 0.255 nan 8.210 nan 0.000 0.479 46 P HA 0.110 nan 4.420 nan 0.000 0.237 46 P C -0.493 176.683 177.300 -0.207 0.000 1.701 46 P CA 0.519 63.542 63.100 -0.128 0.000 0.955 46 P CB -0.068 31.669 31.700 0.062 0.000 1.937 47 E N 0.335 120.480 120.200 -0.092 0.000 2.429 47 E HA 0.391 4.740 4.350 -0.001 0.000 0.276 47 E C -0.261 176.368 176.600 0.048 0.000 0.953 47 E CA -1.143 55.259 56.400 0.004 0.000 0.787 47 E CB 1.481 31.309 29.700 0.214 0.000 1.307 47 E HN 0.005 nan 8.360 nan 0.000 0.458 48 R N 1.030 121.541 120.500 0.019 0.000 2.623 48 R HA 0.048 4.387 4.340 -0.001 0.000 0.271 48 R C -0.651 175.689 176.300 0.067 0.000 1.043 48 R CA 0.084 56.222 56.100 0.063 0.000 1.083 48 R CB -0.187 30.101 30.300 -0.021 0.000 0.974 48 R HN 0.540 nan 8.270 nan 0.000 0.436 49 Y N 1.907 122.197 120.300 -0.017 0.000 2.486 49 Y HA -0.010 4.539 4.550 -0.001 0.000 0.348 49 Y C 1.138 176.996 175.900 -0.071 0.000 1.000 49 Y CA 0.437 58.431 58.100 -0.178 0.000 1.253 49 Y CB 0.634 39.026 38.460 -0.114 0.000 1.140 49 Y HN 0.671 nan 8.280 nan 0.000 0.526 50 T N 1.686 115.974 114.554 -0.445 0.000 3.044 50 T HA 0.228 4.578 4.350 -0.001 0.000 0.260 50 T C 0.033 174.691 174.700 -0.069 0.000 1.019 50 T CA -0.300 61.766 62.100 -0.057 0.000 0.921 50 T CB -0.619 68.145 68.868 -0.172 0.000 1.053 50 T HN 0.379 nan 8.240 nan 0.000 0.533 51 F N 2.842 122.690 119.950 -0.171 0.000 2.518 51 F HA 0.451 4.977 4.527 -0.001 0.000 0.375 51 F C 1.751 177.616 175.800 0.109 0.000 1.097 51 F CA 0.847 58.801 58.000 -0.077 0.000 1.108 51 F CB -0.119 38.748 39.000 -0.220 0.000 1.078 51 F HN 0.382 nan 8.300 nan 0.000 0.564 52 G N 2.016 110.914 108.800 0.163 0.000 2.179 52 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.220 52 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.220 52 G C -0.435 174.393 174.900 -0.121 0.000 0.990 52 G CA -0.647 44.434 45.100 -0.031 0.000 0.646 52 G HN 0.549 nan 8.290 nan 0.000 0.517 53 Y N 0.344 120.785 120.300 0.236 0.000 2.602 53 Y HA 0.716 5.265 4.550 -0.001 0.000 0.330 53 Y C 0.721 176.755 175.900 0.223 0.000 1.114 53 Y CA -0.984 57.241 58.100 0.209 0.000 1.182 53 Y CB 1.250 39.754 38.460 0.073 0.000 1.305 53 Y HN -0.019 nan 8.280 nan 0.000 0.502 54 K N 1.264 121.917 120.400 0.422 0.000 2.203 54 K HA 0.326 4.646 4.320 -0.001 0.000 0.251 54 K C -2.327 174.512 176.600 0.399 0.000 0.944 54 K CA -1.841 54.632 56.287 0.310 0.000 0.829 54 K CB 1.601 34.234 32.500 0.222 0.000 1.125 54 K HN 0.217 nan 8.250 nan 0.000 0.430 55 P HA -0.308 nan 4.420 nan 0.000 0.216 55 P C 1.053 178.553 177.300 0.332 0.000 1.157 55 P CA 1.513 64.765 63.100 0.253 0.000 0.880 55 P CB 0.182 31.933 31.700 0.083 0.000 0.791 56 E N -0.440 119.894 120.200 0.224 0.000 2.204 56 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 56 E C 1.202 177.927 176.600 0.208 0.000 0.990 56 E CA 1.322 57.826 56.400 0.173 0.000 0.821 56 E CB -1.322 28.439 29.700 0.103 0.000 0.750 56 E HN 0.281 nan 8.360 nan 0.000 0.477 57 D N 0.457 121.020 120.400 0.272 0.000 2.265 57 D HA -0.125 4.515 4.640 -0.001 0.000 0.208 57 D C 1.410 177.834 176.300 0.207 0.000 0.977 57 D CA 0.741 54.899 54.000 0.263 0.000 0.871 57 D CB -0.388 40.655 40.800 0.404 0.000 0.925 57 D HN 0.259 nan 8.370 nan 0.000 0.485 58 F N 0.707 120.758 119.950 0.170 0.000 2.604 58 F HA 0.012 4.539 4.527 -0.001 0.000 0.298 58 F C 1.258 177.150 175.800 0.153 0.000 1.131 58 F CA 0.280 58.355 58.000 0.126 0.000 1.457 58 F CB -0.077 38.928 39.000 0.008 0.000 1.095 58 F HN -0.209 nan 8.300 nan 0.000 0.574 59 N N 0.972 119.798 118.700 0.209 0.000 2.508 59 N HA 0.052 4.791 4.740 -0.001 0.000 0.285 59 N C -0.082 175.319 175.510 -0.183 0.000 1.144 59 N CA -0.418 52.656 53.050 0.041 0.000 0.978 59 N CB 0.853 39.353 38.487 0.023 0.000 1.180 59 N HN -0.158 nan 8.380 nan 0.000 0.484 60 K N 1.409 121.638 120.400 -0.285 0.000 2.339 60 K HA 0.125 4.444 4.320 -0.001 0.000 0.286 60 K C -0.191 176.200 176.600 -0.349 0.000 1.050 60 K CA 0.118 56.066 56.287 -0.565 0.000 0.956 60 K CB 0.119 32.465 32.500 -0.256 0.000 0.990 60 K HN 0.790 nan 8.250 nan 0.000 0.475 61 S N 1.184 116.637 115.700 -0.412 0.000 2.900 61 S HA 0.292 4.762 4.470 -0.001 0.000 0.320 61 S C 0.082 174.569 174.600 -0.189 0.000 1.130 61 S CA -0.515 57.549 58.200 -0.227 0.000 0.863 61 S CB 0.818 63.907 63.200 -0.186 0.000 1.295 61 S HN 0.454 nan 8.310 nan 0.000 0.596 62 S N -0.456 115.168 115.700 -0.125 0.000 2.699 62 S HA 0.562 5.031 4.470 -0.001 0.000 0.251 62 S C 0.445 174.992 174.600 -0.089 0.000 1.179 62 S CA -0.261 57.886 58.200 -0.089 0.000 1.200 62 S CB -1.042 62.122 63.200 -0.060 0.000 0.848 62 S HN 1.200 nan 8.310 nan 0.000 0.472 63 G N 1.018 109.735 108.800 -0.137 0.000 2.680 63 G HA2 0.768 4.728 3.960 -0.001 0.000 0.290 63 G HA3 0.768 4.728 3.960 -0.001 0.000 0.290 63 G C -1.005 173.804 174.900 -0.152 0.000 1.355 63 G CA -1.190 43.822 45.100 -0.147 0.000 0.903 63 G HN 0.704 nan 8.290 nan 0.000 0.474 64 I N -3.245 117.229 120.570 -0.160 0.000 2.913 64 I HA 0.569 4.738 4.170 -0.001 0.000 0.302 64 I C -0.542 175.461 176.117 -0.190 0.000 1.246 64 I CA -1.138 60.114 61.300 -0.080 0.000 1.010 64 I CB 2.231 40.245 38.000 0.024 0.000 1.259 64 I HN 0.456 nan 8.210 nan 0.000 0.434 65 F N 0.878 120.864 119.950 0.060 0.000 2.317 65 F HA 0.217 4.743 4.527 -0.001 0.000 0.290 65 F C 1.223 177.016 175.800 -0.013 0.000 1.075 65 F CA 0.480 58.497 58.000 0.030 0.000 1.380 65 F CB 0.371 39.378 39.000 0.012 0.000 1.093 65 F HN 0.554 nan 8.300 nan 0.000 0.524 66 N N 0.123 118.915 118.700 0.153 0.000 2.321 66 N HA 0.215 4.954 4.740 -0.001 0.000 0.299 66 N C 0.490 175.990 175.510 -0.016 0.000 1.048 66 N CA -0.236 52.845 53.050 0.052 0.000 0.836 66 N CB 1.673 40.186 38.487 0.045 0.000 1.269 66 N HN 0.050 nan 8.380 nan 0.000 0.486 67 R N 1.394 121.838 120.500 -0.094 0.000 2.119 67 R HA -0.025 4.314 4.340 -0.001 0.000 0.222 67 R C 0.056 176.381 176.300 0.042 0.000 1.088 67 R CA 1.057 57.057 56.100 -0.167 0.000 0.984 67 R CB 0.162 30.247 30.300 -0.359 0.000 0.884 67 R HN 0.573 nan 8.270 nan 0.000 0.447 68 D N 0.150 120.570 120.400 0.033 0.000 2.615 68 D HA 0.123 4.762 4.640 -0.001 0.000 0.236 68 D C -1.271 175.035 176.300 0.010 0.000 1.233 68 D CA -0.046 53.981 54.000 0.045 0.000 0.829 68 D CB 0.596 41.407 40.800 0.018 0.000 1.024 68 D HN -0.175 nan 8.370 nan 0.000 0.490 69 V N 0.267 120.200 119.914 0.032 0.000 2.789 69 V HA 0.217 4.336 4.120 -0.001 0.000 0.311 69 V C -0.336 175.796 176.094 0.062 0.000 1.073 69 V CA -1.241 61.072 62.300 0.022 0.000 0.921 69 V CB 1.841 33.665 31.823 0.002 0.000 1.009 69 V HN 0.137 nan 8.190 nan 0.000 0.426 70 C N 4.560 123.895 119.300 0.059 0.000 2.145 70 C HA 0.378 4.837 4.460 -0.001 0.000 0.374 70 C C 0.688 175.743 174.990 0.108 0.000 1.035 70 C CA -0.568 58.504 59.018 0.090 0.000 1.431 70 C CB -1.797 25.989 27.740 0.077 0.000 1.789 70 C HN 0.924 nan 8.230 nan 0.000 0.483 71 E N 3.365 123.648 120.200 0.139 0.000 2.384 71 E HA 0.107 4.456 4.350 -0.001 0.000 0.266 71 E C -1.027 175.716 176.600 0.239 0.000 1.012 71 E CA 0.214 56.700 56.400 0.142 0.000 0.901 71 E CB 0.833 30.658 29.700 0.208 0.000 0.967 71 E HN 0.725 nan 8.360 nan 0.000 0.435 72 Y N 3.190 123.466 120.300 -0.040 0.000 2.352 72 Y HA 0.299 4.848 4.550 -0.001 0.000 0.339 72 Y C -1.517 174.274 175.900 -0.181 0.000 0.992 72 Y CA -0.973 57.115 58.100 -0.019 0.000 1.100 72 Y CB 0.690 39.084 38.460 -0.110 0.000 1.192 72 Y HN 0.380 nan 8.280 nan 0.000 0.458 73 Y N 3.775 123.540 120.300 -0.891 0.000 2.429 73 Y HA 0.485 5.034 4.550 -0.002 0.000 0.342 73 Y C -0.576 174.745 175.900 -0.964 0.000 1.004 73 Y CA -1.263 56.416 58.100 -0.702 0.000 1.075 73 Y CB 1.807 40.038 38.460 -0.382 0.000 1.214 73 Y HN 0.540 nan 8.280 nan 0.000 0.455 74 D N 3.758 123.889 120.400 -0.448 0.000 2.312 74 D HA 0.146 4.785 4.640 -0.001 0.000 0.229 74 D C -2.405 173.845 176.300 -0.083 0.000 1.337 74 D CA -1.322 52.478 54.000 -0.333 0.000 0.964 74 D CB 2.003 42.626 40.800 -0.295 0.000 1.456 74 D HN 0.250 nan 8.370 nan 0.000 0.547 75 P HA 0.024 nan 4.420 nan 0.000 0.234 75 P C 0.367 177.668 177.300 0.002 0.000 1.167 75 P CA 0.453 63.581 63.100 0.045 0.000 0.763 75 P CB 0.720 32.449 31.700 0.048 0.000 0.835 76 D N -1.639 118.771 120.400 0.017 0.000 2.346 76 D HA -0.028 4.611 4.640 -0.001 0.000 0.206 76 D C 0.578 176.917 176.300 0.065 0.000 1.001 76 D CA -0.060 53.956 54.000 0.027 0.000 0.871 76 D CB -0.599 40.221 40.800 0.033 0.000 0.943 76 D HN 0.194 nan 8.370 nan 0.000 0.518 77 Y N 1.928 122.210 120.300 -0.031 0.000 2.717 77 Y HA -0.026 4.523 4.550 -0.001 0.000 0.330 77 Y C 1.238 177.113 175.900 -0.043 0.000 1.217 77 Y CA 0.217 58.312 58.100 -0.007 0.000 1.506 77 Y CB 0.162 38.611 38.460 -0.019 0.000 1.268 77 Y HN -0.041 nan 8.280 nan 0.000 0.561 78 L N 3.685 124.655 121.223 -0.420 0.000 4.089 78 L HA -0.382 3.957 4.340 -0.001 0.000 0.408 78 L C 0.729 177.480 176.870 -0.198 0.000 1.184 78 L CA 0.850 55.478 54.840 -0.352 0.000 0.947 78 L CB -1.447 40.410 42.059 -0.337 0.000 2.066 78 L HN 0.816 nan 8.230 nan 0.000 0.851 79 N N -0.416 118.201 118.700 -0.137 0.000 2.322 79 N HA 0.032 4.771 4.740 -0.001 0.000 0.194 79 N C 0.395 175.853 175.510 -0.087 0.000 1.126 79 N CA 0.716 53.706 53.050 -0.099 0.000 0.845 79 N CB 0.244 38.691 38.487 -0.068 0.000 0.976 79 N HN 0.550 nan 8.380 nan 0.000 0.475 80 T N -4.017 110.472 114.554 -0.108 0.000 2.901 80 T HA 0.398 4.747 4.350 -0.001 0.000 0.293 80 T C 0.389 175.011 174.700 -0.129 0.000 1.084 80 T CA -0.752 61.299 62.100 -0.082 0.000 1.008 80 T CB 1.368 70.204 68.868 -0.054 0.000 1.170 80 T HN -0.244 nan 8.240 nan 0.000 0.509 81 N N 0.508 119.162 118.700 -0.078 0.000 2.244 81 N HA -0.040 4.699 4.740 -0.001 0.000 0.183 81 N C 1.330 176.767 175.510 -0.123 0.000 1.016 81 N CA 1.254 54.244 53.050 -0.100 0.000 0.866 81 N CB -0.376 38.174 38.487 0.105 0.000 0.980 81 N HN 0.836 nan 8.380 nan 0.000 0.430 82 D N 0.213 120.578 120.400 -0.059 0.000 2.183 82 D HA -0.026 4.614 4.640 -0.001 0.000 0.203 82 D C 1.486 177.737 176.300 -0.082 0.000 0.969 82 D CA 1.014 54.989 54.000 -0.041 0.000 0.842 82 D CB 0.212 41.005 40.800 -0.012 0.000 0.957 82 D HN 0.151 nan 8.370 nan 0.000 0.484 83 K N -0.035 120.290 120.400 -0.124 0.000 2.097 83 K HA -0.053 4.267 4.320 -0.001 0.000 0.205 83 K C 2.089 178.570 176.600 -0.198 0.000 1.050 83 K CA 0.836 57.027 56.287 -0.160 0.000 0.938 83 K CB 0.111 32.488 32.500 -0.204 0.000 0.718 83 K HN 0.101 nan 8.250 nan 0.000 0.442 84 K N 0.738 120.953 120.400 -0.308 0.000 2.097 84 K HA -0.134 4.186 4.320 -0.001 0.000 0.205 84 K C 1.904 178.333 176.600 -0.285 0.000 1.050 84 K CA 1.039 57.061 56.287 -0.441 0.000 0.938 84 K CB -0.187 31.699 32.500 -1.023 0.000 0.718 84 K HN 0.254 nan 8.250 nan 0.000 0.442 85 N N 1.381 119.959 118.700 -0.203 0.000 2.216 85 N HA -0.104 4.635 4.740 -0.001 0.000 0.183 85 N C 1.867 177.375 175.510 -0.004 0.000 1.017 85 N CA 0.630 53.657 53.050 -0.037 0.000 0.861 85 N CB 0.095 38.607 38.487 0.042 0.000 0.986 85 N HN 0.107 nan 8.380 nan 0.000 0.428 86 I N 0.343 120.909 120.570 -0.007 0.000 2.226 86 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 86 I C 2.191 178.335 176.117 0.045 0.000 1.100 86 I CA 0.984 62.293 61.300 0.015 0.000 1.374 86 I CB -0.450 37.553 38.000 0.006 0.000 1.057 86 I HN 0.107 nan 8.210 nan 0.000 0.413 87 F N 1.363 121.265 119.950 -0.081 0.000 2.126 87 F HA -0.252 4.274 4.527 -0.001 0.000 0.299 87 F C 2.290 178.100 175.800 0.015 0.000 1.096 87 F CA 1.620 59.606 58.000 -0.023 0.000 1.255 87 F CB -0.195 38.770 39.000 -0.060 0.000 0.997 87 F HN -0.097 nan 8.300 nan 0.000 0.479 88 L N -0.125 121.162 121.223 0.106 0.000 1.994 88 L HA -0.258 4.082 4.340 -0.001 0.000 0.208 88 L C 2.611 179.461 176.870 -0.032 0.000 1.071 88 L CA 1.298 56.135 54.840 -0.005 0.000 0.745 88 L CB -0.562 41.429 42.059 -0.113 0.000 0.892 88 L HN 0.187 nan 8.230 nan 0.000 0.431 89 Q N -0.861 118.933 119.800 -0.009 0.000 2.124 89 Q HA -0.162 4.177 4.340 -0.001 0.000 0.202 89 Q C 2.080 178.078 176.000 -0.002 0.000 0.977 89 Q CA 2.028 57.835 55.803 0.007 0.000 0.850 89 Q CB -0.884 27.865 28.738 0.018 0.000 0.901 89 Q HN 0.493 nan 8.270 nan 0.000 0.429 90 T N 1.248 115.779 114.554 -0.039 0.000 2.777 90 T HA -0.071 4.278 4.350 -0.001 0.000 0.266 90 T C 1.812 176.500 174.700 -0.020 0.000 1.040 90 T CA 1.012 63.089 62.100 -0.038 0.000 1.141 90 T CB -0.038 68.783 68.868 -0.078 0.000 0.868 90 T HN 0.107 nan 8.240 nan 0.000 0.444 91 M N 0.729 120.267 119.600 -0.104 0.000 2.159 91 M HA 0.065 4.544 4.480 -0.001 0.000 0.263 91 M C 2.259 178.644 176.300 0.141 0.000 1.063 91 M CA 1.179 56.488 55.300 0.014 0.000 1.110 91 M CB -1.240 31.306 32.600 -0.089 0.000 1.374 91 M HN 0.277 nan 8.290 nan 0.000 0.411 92 I N -0.324 120.278 120.570 0.054 0.000 2.226 92 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 92 I C 2.560 178.745 176.117 0.112 0.000 1.100 92 I CA 1.205 62.539 61.300 0.057 0.000 1.374 92 I CB -0.389 37.622 38.000 0.019 0.000 1.057 92 I HN 0.319 nan 8.210 nan 0.000 0.413 93 K N 1.269 121.730 120.400 0.101 0.000 2.057 93 K HA -0.146 4.173 4.320 -0.001 0.000 0.206 93 K C 2.156 178.857 176.600 0.167 0.000 1.050 93 K CA 1.231 57.589 56.287 0.119 0.000 0.935 93 K CB -0.018 32.551 32.500 0.116 0.000 0.715 93 K HN 0.245 nan 8.250 nan 0.000 0.439 94 L N -0.148 121.190 121.223 0.192 0.000 2.046 94 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 94 L C 2.265 179.218 176.870 0.138 0.000 1.077 94 L CA 1.135 56.086 54.840 0.185 0.000 0.747 94 L CB -0.452 41.711 42.059 0.173 0.000 0.896 94 L HN 0.138 nan 8.230 nan 0.000 0.432 95 F N 0.585 120.547 119.950 0.020 0.000 2.171 95 F HA -0.181 4.346 4.527 -0.001 0.000 0.300 95 F C 2.501 178.312 175.800 0.019 0.000 1.090 95 F CA 1.242 59.244 58.000 0.003 0.000 1.293 95 F CB -0.428 38.567 39.000 -0.009 0.000 1.013 95 F HN 0.149 nan 8.300 nan 0.000 0.486 96 N N -0.026 118.796 118.700 0.204 0.000 2.188 96 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 96 N C 2.023 177.588 175.510 0.091 0.000 1.018 96 N CA 0.904 54.024 53.050 0.117 0.000 0.858 96 N CB -0.383 38.152 38.487 0.080 0.000 0.989 96 N HN 0.277 nan 8.380 nan 0.000 0.426 97 R N 0.951 121.509 120.500 0.097 0.000 2.092 97 R HA 0.073 4.412 4.340 -0.001 0.000 0.231 97 R C 2.156 178.547 176.300 0.151 0.000 1.119 97 R CA 0.725 56.880 56.100 0.092 0.000 0.970 97 R CB -0.151 30.203 30.300 0.091 0.000 0.864 97 R HN 0.126 nan 8.270 nan 0.000 0.440 98 I N 1.607 122.231 120.570 0.091 0.000 2.226 98 I HA -0.286 3.883 4.170 -0.001 0.000 0.245 98 I C 2.136 178.346 176.117 0.155 0.000 1.100 98 I CA 1.713 63.057 61.300 0.073 0.000 1.374 98 I CB -0.225 37.687 38.000 -0.147 0.000 1.057 98 I HN 0.265 nan 8.210 nan 0.000 0.413 99 K N 0.898 121.358 120.400 0.100 0.000 2.444 99 K HA 0.034 4.354 4.320 -0.001 0.000 0.193 99 K C 1.779 178.418 176.600 0.065 0.000 1.024 99 K CA 0.960 57.301 56.287 0.089 0.000 1.077 99 K CB -0.149 32.396 32.500 0.074 0.000 0.833 99 K HN 0.252 nan 8.250 nan 0.000 0.517 100 S N 0.258 115.995 115.700 0.061 0.000 2.500 100 S HA -0.035 4.435 4.470 -0.001 0.000 0.239 100 S C 0.460 175.023 174.600 -0.061 0.000 0.989 100 S CA 0.305 58.505 58.200 -0.000 0.000 0.951 100 S CB -0.173 63.021 63.200 -0.010 0.000 0.759 100 S HN 0.182 nan 8.310 nan 0.000 0.523 101 K N 1.007 121.371 120.400 -0.060 0.000 2.316 101 K HA 0.400 4.719 4.320 -0.001 0.000 0.251 101 K C -2.412 174.183 176.600 -0.008 0.000 0.934 101 K CA -2.452 53.742 56.287 -0.155 0.000 0.802 101 K CB 1.774 33.934 32.500 -0.567 0.000 1.171 101 K HN -0.178 nan 8.250 nan 0.000 0.426 102 P HA -0.212 nan 4.420 nan 0.000 0.215 102 P C 1.422 178.773 177.300 0.085 0.000 1.163 102 P CA 0.855 63.971 63.100 0.026 0.000 0.894 102 P CB 0.236 31.936 31.700 0.001 0.000 0.791 103 L N -0.248 121.039 121.223 0.107 0.000 1.990 103 L HA -0.120 4.220 4.340 -0.001 0.000 0.213 103 L C 2.260 179.300 176.870 0.283 0.000 1.072 103 L CA 2.637 57.587 54.840 0.184 0.000 0.755 103 L CB -1.680 40.503 42.059 0.208 0.000 0.889 103 L HN -0.017 nan 8.230 nan 0.000 0.432 104 G N -1.480 107.517 108.800 0.328 0.000 2.408 104 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.217 104 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.217 104 G C 1.483 176.456 174.900 0.122 0.000 1.150 104 G CA 0.684 45.921 45.100 0.228 0.000 0.776 104 G HN 0.578 nan 8.290 nan 0.000 0.542 105 E N 0.355 120.629 120.200 0.124 0.000 2.085 105 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 105 E C 2.351 178.994 176.600 0.071 0.000 0.994 105 E CA 1.245 57.690 56.400 0.076 0.000 0.801 105 E CB -0.058 29.680 29.700 0.064 0.000 0.743 105 E HN 0.303 nan 8.360 nan 0.000 0.453 106 K N 0.242 120.714 120.400 0.120 0.000 2.057 106 K HA -0.139 4.180 4.320 -0.001 0.000 0.207 106 K C 2.015 178.660 176.600 0.076 0.000 1.049 106 K CA 1.022 57.397 56.287 0.146 0.000 0.931 106 K CB -0.325 32.322 32.500 0.244 0.000 0.714 106 K HN 0.121 nan 8.250 nan 0.000 0.440 107 L N 0.888 122.118 121.223 0.012 0.000 2.012 107 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 107 L C 1.673 178.378 176.870 -0.274 0.000 1.073 107 L CA 1.690 56.274 54.840 -0.426 0.000 0.748 107 L CB -0.370 41.449 42.059 -0.400 0.000 0.891 107 L HN 0.178 nan 8.230 nan 0.000 0.431 108 L N -0.920 120.227 121.223 -0.126 0.000 2.046 108 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 108 L C 2.539 179.395 176.870 -0.024 0.000 1.077 108 L CA 1.479 56.283 54.840 -0.060 0.000 0.747 108 L CB -0.524 41.538 42.059 0.006 0.000 0.896 108 L HN 0.362 nan 8.230 nan 0.000 0.432 109 E N -0.203 119.989 120.200 -0.013 0.000 2.031 109 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 109 E C 2.381 178.983 176.600 0.004 0.000 0.994 109 E CA 1.387 57.790 56.400 0.005 0.000 0.800 109 E CB -0.009 29.704 29.700 0.022 0.000 0.752 109 E HN 0.337 nan 8.360 nan 0.000 0.447 110 M N 0.133 119.727 119.600 -0.011 0.000 2.106 110 M HA -0.201 4.278 4.480 -0.001 0.000 0.259 110 M C 2.397 178.751 176.300 0.090 0.000 1.068 110 M CA 1.444 56.766 55.300 0.036 0.000 1.100 110 M CB -0.759 31.791 32.600 -0.084 0.000 1.351 110 M HN 0.212 nan 8.290 nan 0.000 0.404 111 I N 0.123 120.690 120.570 -0.004 0.000 2.252 111 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 111 I C 2.409 178.544 176.117 0.029 0.000 1.102 111 I CA 1.168 62.479 61.300 0.018 0.000 1.385 111 I CB -0.247 37.725 38.000 -0.046 0.000 1.064 111 I HN 0.201 nan 8.210 nan 0.000 0.414 112 I N 0.711 121.293 120.570 0.019 0.000 2.252 112 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 112 I C 1.950 178.063 176.117 -0.006 0.000 1.102 112 I CA 1.290 62.600 61.300 0.016 0.000 1.385 112 I CB -0.345 37.662 38.000 0.012 0.000 1.064 112 I HN 0.294 nan 8.210 nan 0.000 0.414 113 N N 0.755 119.445 118.700 -0.017 0.000 2.463 113 N HA -0.003 4.736 4.740 -0.001 0.000 0.181 113 N C 1.364 176.803 175.510 -0.118 0.000 1.078 113 N CA 0.567 53.582 53.050 -0.059 0.000 0.902 113 N CB 0.062 38.522 38.487 -0.046 0.000 0.970 113 N HN 0.264 nan 8.380 nan 0.000 0.451 114 G N 2.368 111.100 108.800 -0.114 0.000 3.353 114 G HA2 0.164 4.124 3.960 -0.001 0.000 0.247 114 G HA3 0.164 4.124 3.960 -0.001 0.000 0.247 114 G C 0.702 175.448 174.900 -0.256 0.000 1.025 114 G CA -0.423 44.453 45.100 -0.373 0.000 1.863 114 G HN 0.315 nan 8.290 nan 0.000 0.635 115 I N -1.878 118.603 120.570 -0.148 0.000 2.815 115 I HA 0.242 4.412 4.170 -0.001 0.000 0.291 115 I C -2.381 173.777 176.117 0.067 0.000 1.209 115 I CA -1.775 59.503 61.300 -0.037 0.000 1.431 115 I CB 0.427 38.391 38.000 -0.061 0.000 1.351 115 I HN -0.094 nan 8.210 nan 0.000 0.585 116 P HA 0.016 nan 4.420 nan 0.000 0.268 116 P C -0.916 176.511 177.300 0.211 0.000 1.204 116 P CA 0.171 63.355 63.100 0.140 0.000 0.768 116 P CB 0.237 31.994 31.700 0.094 0.000 0.842 117 Y N 3.341 123.673 120.300 0.053 0.000 2.683 117 Y HA 0.010 4.559 4.550 -0.001 0.000 0.340 117 Y C 0.404 176.219 175.900 -0.142 0.000 1.245 117 Y CA 0.215 58.136 58.100 -0.299 0.000 1.485 117 Y CB 0.150 38.503 38.460 -0.178 0.000 1.328 117 Y HN 0.182 nan 8.280 nan 0.000 0.603 118 L N 7.014 127.792 121.223 -0.742 0.000 2.395 118 L HA 0.373 4.712 4.340 -0.001 0.000 0.268 118 L C 0.663 177.450 176.870 -0.137 0.000 1.223 118 L CA 0.397 54.941 54.840 -0.493 0.000 1.093 118 L CB -1.359 40.178 42.059 -0.869 0.000 1.349 118 L HN 0.945 nan 8.230 nan 0.000 0.427 119 G N 2.072 110.861 108.800 -0.018 0.000 2.347 119 G HA2 0.177 4.136 3.960 -0.001 0.000 0.341 119 G HA3 0.177 4.136 3.960 -0.001 0.000 0.341 119 G C -1.973 172.709 174.900 -0.364 0.000 1.287 119 G CA -0.372 44.695 45.100 -0.055 0.000 0.984 119 G HN 0.563 nan 8.290 nan 0.000 0.526 120 D N -2.642 117.375 120.400 -0.638 0.000 2.752 120 D HA 0.470 5.110 4.640 -0.001 0.000 0.313 120 D C 1.527 177.256 176.300 -0.951 0.000 1.225 120 D CA -0.044 53.163 54.000 -1.321 0.000 0.976 120 D CB 0.229 40.681 40.800 -0.579 0.000 1.443 120 D HN 0.842 nan 8.370 nan 0.000 0.515 121 R N 0.206 120.353 120.500 -0.588 0.000 2.198 121 R HA -0.246 4.093 4.340 -0.001 0.000 0.258 121 R C 1.285 177.512 176.300 -0.121 0.000 1.173 121 R CA 1.528 57.589 56.100 -0.065 0.000 0.991 121 R CB -0.589 29.710 30.300 -0.003 0.000 0.879 121 R HN 0.380 nan 8.270 nan 0.000 0.460 122 R N 0.865 121.265 120.500 -0.167 0.000 2.189 122 R HA 0.099 4.438 4.340 -0.001 0.000 0.218 122 R C 0.298 176.543 176.300 -0.092 0.000 1.074 122 R CA 0.636 56.667 56.100 -0.116 0.000 0.991 122 R CB 0.113 30.349 30.300 -0.107 0.000 0.883 122 R HN 0.025 nan 8.270 nan 0.000 0.457 123 V N 3.316 123.163 119.914 -0.112 0.000 2.555 123 V HA 0.122 4.242 4.120 -0.001 0.000 0.286 123 V C -2.012 174.067 176.094 -0.026 0.000 1.044 123 V CA -1.841 60.423 62.300 -0.061 0.000 1.026 123 V CB 0.924 32.719 31.823 -0.046 0.000 0.981 123 V HN -0.009 nan 8.190 nan 0.000 0.480 124 P HA 0.085 nan 4.420 nan 0.000 0.265 124 P C 1.108 178.404 177.300 -0.007 0.000 1.187 124 P CA 0.045 63.135 63.100 -0.016 0.000 0.766 124 P CB 0.469 32.156 31.700 -0.021 0.000 0.820 125 L N 1.872 123.086 121.223 -0.014 0.000 2.129 125 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 125 L C 1.506 178.353 176.870 -0.038 0.000 1.087 125 L CA 1.761 56.591 54.840 -0.017 0.000 0.757 125 L CB -0.723 41.317 42.059 -0.032 0.000 0.896 125 L HN 0.428 nan 8.230 nan 0.000 0.434 126 E N -0.366 119.801 120.200 -0.054 0.000 2.502 126 E HA 0.022 4.372 4.350 -0.001 0.000 0.194 126 E C 0.021 176.545 176.600 -0.127 0.000 1.062 126 E CA 0.308 56.655 56.400 -0.088 0.000 0.867 126 E CB 0.138 29.798 29.700 -0.067 0.000 0.888 126 E HN 0.524 nan 8.360 nan 0.000 0.510 127 E N -0.444 119.702 120.200 -0.090 0.000 2.299 127 E HA 0.426 4.775 4.350 -0.001 0.000 0.265 127 E C -0.794 175.801 176.600 -0.010 0.000 0.911 127 E CA -0.717 55.635 56.400 -0.080 0.000 0.789 127 E CB 1.630 31.322 29.700 -0.014 0.000 1.246 127 E HN -0.028 nan 8.360 nan 0.000 0.427 128 F N 1.655 121.594 119.950 -0.019 0.000 2.426 128 F HA 0.302 4.829 4.527 -0.001 0.000 0.348 128 F C 0.260 176.012 175.800 -0.079 0.000 1.124 128 F CA -0.912 57.037 58.000 -0.086 0.000 1.008 128 F CB 1.428 40.338 39.000 -0.150 0.000 1.139 128 F HN 0.268 nan 8.300 nan 0.000 0.452 129 N N 2.189 120.957 118.700 0.114 0.000 2.524 129 N HA 0.091 4.831 4.740 -0.001 0.000 0.261 129 N C 0.452 175.955 175.510 -0.012 0.000 0.998 129 N CA -0.264 52.806 53.050 0.033 0.000 0.915 129 N CB 1.524 40.014 38.487 0.005 0.000 1.187 129 N HN 0.673 nan 8.380 nan 0.000 0.507 130 T N -0.165 114.388 114.554 -0.001 0.000 3.100 130 T HA 0.020 4.369 4.350 -0.001 0.000 0.253 130 T C 0.871 175.594 174.700 0.038 0.000 1.118 130 T CA 0.253 62.375 62.100 0.037 0.000 1.058 130 T CB -0.168 68.807 68.868 0.178 0.000 0.953 130 T HN 0.284 nan 8.240 nan 0.000 0.515 131 N N 2.376 121.071 118.700 -0.008 0.000 2.878 131 N HA 0.200 4.939 4.740 -0.001 0.000 0.282 131 N C -0.330 175.138 175.510 -0.070 0.000 1.284 131 N CA -0.669 52.350 53.050 -0.051 0.000 1.053 131 N CB -0.866 37.579 38.487 -0.070 0.000 1.382 131 N HN 0.780 nan 8.380 nan 0.000 0.529 132 I N -3.720 116.824 120.570 -0.044 0.000 2.582 132 I HA 0.561 4.730 4.170 -0.001 0.000 0.292 132 I C 0.884 176.992 176.117 -0.015 0.000 1.066 132 I CA -1.188 60.085 61.300 -0.045 0.000 1.053 132 I CB 1.722 39.693 38.000 -0.049 0.000 1.241 132 I HN -0.184 nan 8.210 nan 0.000 0.421 133 A N 3.777 126.594 122.820 -0.004 0.000 2.139 133 A HA -0.158 4.162 4.320 -0.001 0.000 0.221 133 A C 1.994 179.606 177.584 0.046 0.000 1.159 133 A CA 2.162 54.222 52.037 0.038 0.000 0.662 133 A CB -0.828 18.219 19.000 0.078 0.000 0.796 133 A HN 0.972 nan 8.150 nan 0.000 0.463 134 S N -2.108 113.617 115.700 0.042 0.000 2.548 134 S HA 0.229 4.698 4.470 -0.001 0.000 0.215 134 S C 1.176 175.815 174.600 0.064 0.000 0.976 134 S CA 0.676 58.913 58.200 0.061 0.000 0.908 134 S CB 0.294 63.535 63.200 0.069 0.000 0.781 134 S HN 0.205 nan 8.310 nan 0.000 0.519 135 V N 0.625 120.572 119.914 0.056 0.000 2.948 135 V HA 0.235 4.355 4.120 -0.001 0.000 0.234 135 V C 0.658 176.861 176.094 0.182 0.000 1.205 135 V CA 0.803 63.146 62.300 0.072 0.000 1.234 135 V CB 0.107 31.933 31.823 0.006 0.000 1.020 135 V HN 0.410 nan 8.190 nan 0.000 0.491 136 T N 1.107 115.754 114.554 0.156 0.000 2.824 136 T HA 0.655 5.004 4.350 -0.001 0.000 0.280 136 T C -1.015 173.724 174.700 0.066 0.000 0.995 136 T CA -0.087 62.106 62.100 0.155 0.000 1.009 136 T CB 2.349 71.276 68.868 0.098 0.000 0.955 136 T HN 0.053 nan 8.240 nan 0.000 0.452 137 V N 3.732 123.665 119.914 0.033 0.000 2.735 137 V HA 0.529 4.648 4.120 -0.001 0.000 0.310 137 V C -0.981 175.096 176.094 -0.027 0.000 1.061 137 V CA -0.939 61.361 62.300 0.000 0.000 0.913 137 V CB 2.110 33.900 31.823 -0.054 0.000 1.005 137 V HN 0.803 nan 8.190 nan 0.000 0.428 138 N N 4.305 123.023 118.700 0.030 0.000 2.493 138 N HA 0.485 5.224 4.740 -0.001 0.000 0.275 138 N C -0.912 174.595 175.510 -0.005 0.000 1.186 138 N CA -0.387 52.685 53.050 0.036 0.000 0.978 138 N CB 1.458 40.037 38.487 0.153 0.000 1.184 138 N HN 0.771 nan 8.380 nan 0.000 0.487 139 K N -0.147 120.231 120.400 -0.038 0.000 2.443 139 K HA 0.421 4.740 4.320 -0.001 0.000 0.252 139 K C -1.164 175.383 176.600 -0.089 0.000 0.933 139 K CA -0.854 55.381 56.287 -0.088 0.000 0.792 139 K CB 1.575 33.975 32.500 -0.166 0.000 1.185 139 K HN 0.221 nan 8.250 nan 0.000 0.425 140 L N 5.058 126.172 121.223 -0.182 0.000 2.342 140 L HA 0.254 4.593 4.340 -0.001 0.000 0.285 140 L C 0.363 177.094 176.870 -0.233 0.000 1.095 140 L CA 0.012 54.659 54.840 -0.321 0.000 0.843 140 L CB 0.163 41.733 42.059 -0.816 0.000 1.201 140 L HN 0.887 nan 8.230 nan 0.000 0.445 141 I N 1.829 122.305 120.570 -0.157 0.000 2.703 141 I HA -0.034 4.136 4.170 -0.001 0.000 0.259 141 I C 1.460 177.506 176.117 -0.119 0.000 1.151 141 I CA 0.173 61.402 61.300 -0.119 0.000 1.470 141 I CB -0.109 37.843 38.000 -0.081 0.000 1.112 141 I HN 0.754 nan 8.210 nan 0.000 0.437 142 S N 1.763 117.387 115.700 -0.127 0.000 2.525 142 S HA -0.107 4.362 4.470 -0.001 0.000 0.282 142 S C 0.525 175.057 174.600 -0.113 0.000 1.324 142 S CA -0.113 58.021 58.200 -0.110 0.000 1.025 142 S CB 0.069 63.198 63.200 -0.119 0.000 0.820 142 S HN 0.250 nan 8.310 nan 0.000 0.514 143 N N 2.825 121.475 118.700 -0.084 0.000 2.260 143 N HA 0.210 4.949 4.740 -0.001 0.000 0.230 143 N C -2.601 172.857 175.510 -0.087 0.000 1.323 143 N CA -0.785 52.220 53.050 -0.075 0.000 0.897 143 N CB -0.837 37.618 38.487 -0.053 0.000 1.146 143 N HN 0.456 nan 8.380 nan 0.000 0.460 144 P HA 0.139 nan 4.420 nan 0.000 0.271 144 P C 0.621 177.888 177.300 -0.056 0.000 1.220 144 P CA 0.463 63.520 63.100 -0.072 0.000 0.768 144 P CB 0.436 32.102 31.700 -0.057 0.000 0.848 145 G N 1.817 110.585 108.800 -0.054 0.000 2.157 145 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.248 145 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.248 145 G C -0.263 174.620 174.900 -0.027 0.000 0.979 145 G CA 0.026 45.107 45.100 -0.033 0.000 0.650 145 G HN 0.646 nan 8.290 nan 0.000 0.529 146 E N -1.549 118.623 120.200 -0.047 0.000 2.390 146 E HA 0.568 4.917 4.350 -0.001 0.000 0.277 146 E C 0.109 176.671 176.600 -0.065 0.000 0.939 146 E CA -0.666 55.712 56.400 -0.036 0.000 0.769 146 E CB 1.832 31.513 29.700 -0.032 0.000 1.251 146 E HN 0.859 nan 8.360 nan 0.000 0.450 147 V N -0.763 119.137 119.914 -0.025 0.000 3.039 147 V HA 0.101 4.221 4.120 -0.001 0.000 0.369 147 V C 1.283 177.369 176.094 -0.013 0.000 1.344 147 V CA 0.528 62.813 62.300 -0.025 0.000 1.270 147 V CB -0.791 31.090 31.823 0.098 0.000 1.284 147 V HN 0.849 nan 8.190 nan 0.000 0.518 148 E N 1.628 121.811 120.200 -0.028 0.000 2.130 148 E HA -0.186 4.163 4.350 -0.001 0.000 0.196 148 E C 0.772 177.361 176.600 -0.017 0.000 0.998 148 E CA 0.999 57.388 56.400 -0.018 0.000 0.806 148 E CB -0.054 29.631 29.700 -0.025 0.000 0.738 148 E HN 0.714 nan 8.360 nan 0.000 0.459 149 R N 0.318 120.796 120.500 -0.038 0.000 2.532 149 R HA 0.433 4.772 4.340 -0.001 0.000 0.297 149 R C -1.180 175.095 176.300 -0.042 0.000 0.984 149 R CA -0.567 55.513 56.100 -0.033 0.000 0.884 149 R CB 2.088 32.364 30.300 -0.041 0.000 1.182 149 R HN -0.085 nan 8.270 nan 0.000 0.442 150 K N 2.321 122.717 120.400 -0.006 0.000 2.376 150 K HA 0.349 4.668 4.320 -0.001 0.000 0.257 150 K C -0.906 175.692 176.600 -0.004 0.000 0.939 150 K CA -0.832 55.462 56.287 0.011 0.000 0.809 150 K CB 2.392 34.949 32.500 0.094 0.000 1.121 150 K HN 0.196 nan 8.250 nan 0.000 0.425 151 K N 0.779 121.162 120.400 -0.028 0.000 2.207 151 K HA 0.467 4.787 4.320 -0.001 0.000 0.255 151 K C -0.385 176.178 176.600 -0.061 0.000 0.941 151 K CA -0.513 55.745 56.287 -0.049 0.000 0.825 151 K CB 1.682 34.146 32.500 -0.061 0.000 1.119 151 K HN 0.715 nan 8.250 nan 0.000 0.430 152 G N 2.992 111.738 108.800 -0.091 0.000 2.451 152 G HA2 0.636 4.595 3.960 -0.001 0.000 0.303 152 G HA3 0.636 4.595 3.960 -0.001 0.000 0.303 152 G C -0.692 174.088 174.900 -0.201 0.000 1.166 152 G CA -0.707 44.320 45.100 -0.123 0.000 0.884 152 G HN 0.735 nan 8.290 nan 0.000 0.514 153 I N -2.348 118.101 120.570 -0.202 0.000 2.913 153 I HA 0.634 4.803 4.170 -0.001 0.000 0.302 153 I C -1.324 174.721 176.117 -0.119 0.000 1.246 153 I CA -1.403 59.759 61.300 -0.229 0.000 1.010 153 I CB 2.262 40.212 38.000 -0.084 0.000 1.259 153 I HN 0.372 nan 8.210 nan 0.000 0.434 154 F N 2.568 122.554 119.950 0.060 0.000 2.379 154 F HA 0.850 5.376 4.527 -0.001 0.000 0.332 154 F C 0.706 176.580 175.800 0.124 0.000 1.096 154 F CA -0.656 57.385 58.000 0.069 0.000 1.105 154 F CB 1.880 40.926 39.000 0.076 0.000 1.189 154 F HN 0.777 nan 8.300 nan 0.000 0.515 155 A N 2.034 125.050 122.820 0.326 0.000 2.609 155 A HA 0.552 4.871 4.320 -0.001 0.000 0.291 155 A C -0.744 176.971 177.584 0.218 0.000 1.096 155 A CA -0.729 51.488 52.037 0.300 0.000 0.684 155 A CB 1.568 20.721 19.000 0.256 0.000 1.282 155 A HN 0.688 nan 8.150 nan 0.000 0.412 156 N N -1.109 117.716 118.700 0.208 0.000 2.557 156 N HA 0.311 5.050 4.740 -0.001 0.000 0.217 156 N C -0.578 175.022 175.510 0.150 0.000 1.062 156 N CA 0.550 53.688 53.050 0.147 0.000 0.863 156 N CB 0.450 39.003 38.487 0.109 0.000 1.390 156 N HN 0.543 nan 8.380 nan 0.000 0.445 157 L N 0.693 122.027 121.223 0.183 0.000 2.422 157 L HA 0.607 4.946 4.340 -0.001 0.000 0.264 157 L C -1.799 175.202 176.870 0.218 0.000 0.984 157 L CA -0.590 54.357 54.840 0.178 0.000 0.819 157 L CB 1.820 43.973 42.059 0.157 0.000 1.330 157 L HN -0.034 nan 8.230 nan 0.000 0.410 158 I N 6.132 126.814 120.570 0.186 0.000 2.468 158 I HA 0.407 4.576 4.170 -0.001 0.000 0.284 158 I C -0.820 175.378 176.117 0.135 0.000 1.038 158 I CA -0.360 61.016 61.300 0.127 0.000 1.083 158 I CB 1.647 39.669 38.000 0.037 0.000 1.223 158 I HN 0.479 nan 8.210 nan 0.000 0.443 159 I N 6.140 126.786 120.570 0.125 0.000 2.312 159 I HA 0.366 4.535 4.170 -0.001 0.000 0.290 159 I C -0.417 175.834 176.117 0.224 0.000 1.008 159 I CA -0.248 61.204 61.300 0.254 0.000 1.226 159 I CB 0.680 38.858 38.000 0.298 0.000 1.371 159 I HN 0.319 nan 8.210 nan 0.000 0.468 160 F N 3.185 123.357 119.950 0.369 0.000 2.461 160 F HA 0.653 5.179 4.527 -0.001 0.000 0.332 160 F C 1.258 177.236 175.800 0.297 0.000 1.073 160 F CA -0.414 57.774 58.000 0.314 0.000 1.017 160 F CB 0.539 39.764 39.000 0.375 0.000 1.301 160 F HN 0.376 nan 8.300 nan 0.000 0.492 161 G N -0.011 108.935 108.800 0.243 0.000 2.588 161 G HA2 0.429 4.389 3.960 -0.001 0.000 0.278 161 G HA3 0.429 4.389 3.960 -0.001 0.000 0.278 161 G C -2.638 172.398 174.900 0.228 0.000 1.307 161 G CA -1.269 43.825 45.100 -0.010 0.000 1.016 161 G HN 0.347 nan 8.290 nan 0.000 0.503 162 P HA 0.160 nan 4.420 nan 0.000 0.271 162 P C 0.531 177.835 177.300 0.007 0.000 1.233 162 P CA 0.090 63.213 63.100 0.039 0.000 0.789 162 P CB 0.860 32.499 31.700 -0.102 0.000 0.951 163 G N 0.316 108.997 108.800 -0.198 0.000 2.630 163 G HA2 0.266 4.225 3.960 -0.001 0.000 0.223 163 G HA3 0.266 4.225 3.960 -0.001 0.000 0.223 163 G C -1.713 172.785 174.900 -0.670 0.000 1.434 163 G CA -0.962 43.880 45.100 -0.431 0.000 1.057 163 G HN 0.232 nan 8.290 nan 0.000 0.570 164 P HA -0.044 nan 4.420 nan 0.000 0.216 164 P C 0.478 177.217 177.300 -0.935 0.000 1.153 164 P CA 0.721 63.048 63.100 -1.289 0.000 0.858 164 P CB 0.090 31.038 31.700 -1.253 0.000 0.789 165 V N 1.153 120.524 119.914 -0.906 0.000 2.353 165 V HA 0.058 4.178 4.120 -0.001 0.000 0.264 165 V C 1.738 177.524 176.094 -0.513 0.000 1.049 165 V CA 0.013 61.826 62.300 -0.813 0.000 0.896 165 V CB 0.387 31.856 31.823 -0.590 0.000 1.025 165 V HN 0.026 nan 8.190 nan 0.000 0.475 166 L N 3.865 124.806 121.223 -0.470 0.000 2.043 166 L HA -0.159 4.181 4.340 -0.001 0.000 0.212 166 L C 2.080 178.794 176.870 -0.260 0.000 1.075 166 L CA 1.591 56.188 54.840 -0.405 0.000 0.752 166 L CB -0.378 41.327 42.059 -0.590 0.000 0.891 166 L HN 0.893 nan 8.230 nan 0.000 0.432 167 N N -0.150 118.446 118.700 -0.174 0.000 2.313 167 N HA -0.077 4.663 4.740 -0.001 0.000 0.207 167 N C 0.157 175.612 175.510 -0.093 0.000 1.141 167 N CA 0.194 53.190 53.050 -0.090 0.000 0.830 167 N CB 0.062 38.537 38.487 -0.021 0.000 1.008 167 N HN 0.392 nan 8.380 nan 0.000 0.481 168 E N 1.092 121.206 120.200 -0.144 0.000 2.490 168 E HA 0.182 4.531 4.350 -0.001 0.000 0.232 168 E C -0.705 175.838 176.600 -0.094 0.000 1.091 168 E CA -0.541 55.783 56.400 -0.125 0.000 1.050 168 E CB 0.138 29.727 29.700 -0.185 0.000 1.342 168 E HN 0.242 nan 8.360 nan 0.000 0.454 169 N N 2.535 121.230 118.700 -0.007 0.000 2.492 169 N HA 0.060 4.799 4.740 -0.001 0.000 0.260 169 N C -0.196 175.363 175.510 0.081 0.000 1.215 169 N CA 0.545 53.652 53.050 0.096 0.000 0.923 169 N CB 1.143 39.785 38.487 0.258 0.000 1.092 169 N HN 0.458 nan 8.380 nan 0.000 0.448 170 E N 0.164 120.409 120.200 0.075 0.000 2.363 170 E HA 0.237 4.586 4.350 -0.001 0.000 0.281 170 E C -1.587 175.044 176.600 0.051 0.000 0.953 170 E CA -0.555 55.870 56.400 0.041 0.000 0.778 170 E CB 1.403 31.075 29.700 -0.046 0.000 1.220 170 E HN 0.309 nan 8.360 nan 0.000 0.431 171 T N 4.120 118.702 114.554 0.047 0.000 2.771 171 T HA 0.500 4.849 4.350 -0.001 0.000 0.281 171 T C -0.188 174.533 174.700 0.036 0.000 0.982 171 T CA -0.335 61.801 62.100 0.061 0.000 0.978 171 T CB 0.227 69.147 68.868 0.088 0.000 0.930 171 T HN 0.293 nan 8.240 nan 0.000 0.447 172 I N 3.989 124.619 120.570 0.100 0.000 2.404 172 I HA 0.386 4.555 4.170 -0.001 0.000 0.293 172 I C -0.315 175.923 176.117 0.201 0.000 0.992 172 I CA -1.056 60.341 61.300 0.162 0.000 1.149 172 I CB 1.737 39.894 38.000 0.262 0.000 1.315 172 I HN 0.603 nan 8.210 nan 0.000 0.446 173 D N 6.094 126.631 120.400 0.227 0.000 2.326 173 D HA 0.517 5.156 4.640 -0.001 0.000 0.248 173 D C -0.382 176.194 176.300 0.460 0.000 1.001 173 D CA -0.547 53.626 54.000 0.287 0.000 0.961 173 D CB 1.559 42.509 40.800 0.250 0.000 1.183 173 D HN 0.254 nan 8.370 nan 0.000 0.502 174 I N 0.141 120.958 120.570 0.412 0.000 2.342 174 I HA 0.434 4.603 4.170 -0.001 0.000 0.291 174 I C 0.696 176.951 176.117 0.231 0.000 1.010 174 I CA -0.438 61.094 61.300 0.386 0.000 1.308 174 I CB 1.418 39.557 38.000 0.230 0.000 1.400 174 I HN 0.459 nan 8.210 nan 0.000 0.488 175 G N 7.535 116.311 108.800 -0.039 0.000 2.417 175 G HA2 0.717 4.676 3.960 -0.001 0.000 0.320 175 G HA3 0.717 4.676 3.960 -0.001 0.000 0.320 175 G C -0.751 173.920 174.900 -0.381 0.000 1.204 175 G CA -0.390 44.200 45.100 -0.849 0.000 0.923 175 G HN 0.480 nan 8.290 nan 0.000 0.466 176 I N 1.415 121.801 120.570 -0.308 0.000 2.436 176 I HA 0.255 4.424 4.170 -0.001 0.000 0.289 176 I C 0.348 176.397 176.117 -0.115 0.000 1.010 176 I CA -0.520 60.694 61.300 -0.143 0.000 1.098 176 I CB 2.013 39.969 38.000 -0.074 0.000 1.266 176 I HN 0.622 nan 8.210 nan 0.000 0.434 177 Q N 4.805 124.555 119.800 -0.082 0.000 2.435 177 Q HA -0.288 4.051 4.340 -0.001 0.000 0.312 177 Q C 0.126 176.120 176.000 -0.011 0.000 1.333 177 Q CA 0.910 56.694 55.803 -0.032 0.000 0.883 177 Q CB -1.145 27.595 28.738 0.003 0.000 1.170 177 Q HN 0.947 nan 8.270 nan 0.000 0.443 178 N N -2.812 115.813 118.700 -0.125 0.000 2.900 178 N HA -0.218 4.522 4.740 -0.001 0.000 0.240 178 N C -0.388 174.927 175.510 -0.326 0.000 0.953 178 N CA 1.684 54.624 53.050 -0.183 0.000 0.950 178 N CB -0.673 37.747 38.487 -0.111 0.000 1.102 178 N HN 0.597 nan 8.380 nan 0.000 0.593 179 H N -1.063 117.859 119.070 -0.246 0.000 2.676 179 H HA 0.587 5.143 4.556 -0.001 0.000 0.352 179 H C -0.771 174.323 175.328 -0.390 0.000 1.193 179 H CA -0.303 55.664 56.048 -0.135 0.000 1.243 179 H CB 0.875 30.634 29.762 -0.005 0.000 1.751 179 H HN -0.098 nan 8.280 nan 0.000 0.567 180 F N -0.289 119.798 119.950 0.227 0.000 2.553 180 F HA 0.288 4.814 4.527 -0.001 0.000 0.335 180 F C 0.968 176.917 175.800 0.249 0.000 1.148 180 F CA -0.591 57.523 58.000 0.191 0.000 0.963 180 F CB 1.624 40.709 39.000 0.142 0.000 1.217 180 F HN 0.654 nan 8.300 nan 0.000 0.441 181 A N 1.412 124.455 122.820 0.372 0.000 1.978 181 A HA -0.158 4.162 4.320 -0.001 0.000 0.220 181 A C 2.105 179.957 177.584 0.447 0.000 1.170 181 A CA 2.056 54.367 52.037 0.457 0.000 0.636 181 A CB -0.705 18.455 19.000 0.266 0.000 0.810 181 A HN 0.705 nan 8.150 nan 0.000 0.448 182 S N -0.954 114.970 115.700 0.373 0.000 2.607 182 S HA 0.030 4.499 4.470 -0.001 0.000 0.224 182 S C 1.347 176.105 174.600 0.263 0.000 0.969 182 S CA 0.633 59.015 58.200 0.302 0.000 0.927 182 S CB -0.159 63.201 63.200 0.266 0.000 0.772 182 S HN 0.655 nan 8.310 nan 0.000 0.533 183 R N 0.469 121.141 120.500 0.286 0.000 2.476 183 R HA 0.281 4.620 4.340 -0.001 0.000 0.276 183 R C 0.028 176.446 176.300 0.196 0.000 0.941 183 R CA 0.075 56.299 56.100 0.207 0.000 1.088 183 R CB 0.388 30.787 30.300 0.166 0.000 1.216 183 R HN 0.486 nan 8.270 nan 0.000 0.533 184 E N 0.180 120.506 120.200 0.210 0.000 2.995 184 E HA 0.199 4.549 4.350 -0.001 0.000 0.203 184 E C 0.380 176.827 176.600 -0.255 0.000 0.980 184 E CA 0.063 56.501 56.400 0.063 0.000 1.172 184 E CB 1.411 31.227 29.700 0.193 0.000 1.088 184 E HN 0.371 nan 8.360 nan 0.000 0.463 185 G N 0.801 109.573 108.800 -0.046 0.000 2.267 185 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.257 185 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.257 185 G C 0.716 175.517 174.900 -0.165 0.000 0.998 185 G CA 0.550 45.603 45.100 -0.079 0.000 0.620 185 G HN 0.377 nan 8.290 nan 0.000 0.529 186 F N 1.093 121.096 119.950 0.090 0.000 2.149 186 F HA 0.405 4.931 4.527 -0.001 0.000 0.294 186 F C 2.065 177.970 175.800 0.176 0.000 1.095 186 F CA 1.705 59.755 58.000 0.084 0.000 1.276 186 F CB -0.355 38.686 39.000 0.067 0.000 1.023 186 F HN 1.056 nan 8.300 nan 0.000 0.480 187 G N -0.469 108.556 108.800 0.374 0.000 2.707 187 G HA2 0.349 4.309 3.960 -0.001 0.000 0.686 187 G HA3 0.349 4.309 3.960 -0.001 0.000 0.686 187 G C -0.528 174.521 174.900 0.248 0.000 1.315 187 G CA -0.771 44.487 45.100 0.263 0.000 0.832 187 G HN 0.888 nan 8.290 nan 0.000 0.573 188 G N -1.418 107.497 108.800 0.192 0.000 2.506 188 G HA2 0.648 4.607 3.960 -0.001 0.000 0.292 188 G HA3 0.648 4.607 3.960 -0.001 0.000 0.292 188 G C -0.467 174.516 174.900 0.139 0.000 1.425 188 G CA -0.434 44.762 45.100 0.161 0.000 0.788 188 G HN 1.199 nan 8.290 nan 0.000 0.490 189 I N 1.701 122.341 120.570 0.116 0.000 2.668 189 I HA 0.068 4.237 4.170 -0.001 0.000 0.285 189 I C 0.286 176.469 176.117 0.110 0.000 1.168 189 I CA 0.240 61.603 61.300 0.105 0.000 1.424 189 I CB 0.550 38.593 38.000 0.072 0.000 1.377 189 I HN 0.137 nan 8.210 nan 0.000 0.560 190 M N 6.634 126.307 119.600 0.123 0.000 2.318 190 M HA 0.412 4.892 4.480 -0.001 0.000 0.347 190 M C -0.358 176.031 176.300 0.148 0.000 1.175 190 M CA -0.326 55.054 55.300 0.133 0.000 1.075 190 M CB 1.375 34.051 32.600 0.127 0.000 1.614 190 M HN 0.521 nan 8.290 nan 0.000 0.456 191 Q N 1.961 121.863 119.800 0.170 0.000 2.387 191 Q HA 0.793 5.133 4.340 -0.001 0.000 0.273 191 Q C -1.130 175.018 176.000 0.248 0.000 1.089 191 Q CA -0.636 55.323 55.803 0.260 0.000 0.824 191 Q CB 3.761 32.674 28.738 0.292 0.000 1.367 191 Q HN 0.690 nan 8.270 nan 0.000 0.443 192 M N 1.945 121.746 119.600 0.335 0.000 2.378 192 M HA 0.380 4.859 4.480 -0.001 0.000 0.289 192 M C -1.994 174.500 176.300 0.324 0.000 1.136 192 M CA -0.697 54.754 55.300 0.251 0.000 0.917 192 M CB 2.047 34.774 32.600 0.212 0.000 1.669 192 M HN 0.568 nan 8.290 nan 0.000 0.461 193 K N 3.132 123.616 120.400 0.141 0.000 2.213 193 K HA 0.690 5.010 4.320 -0.001 0.000 0.270 193 K C -1.664 175.128 176.600 0.319 0.000 1.002 193 K CA -0.516 55.859 56.287 0.147 0.000 0.868 193 K CB 1.808 34.183 32.500 -0.209 0.000 1.093 193 K HN 0.490 nan 8.250 nan 0.000 0.454 194 F N 2.386 122.477 119.950 0.236 0.000 2.608 194 F HA 0.473 4.999 4.527 -0.001 0.000 0.309 194 F C -1.784 174.234 175.800 0.363 0.000 1.103 194 F CA -1.103 57.052 58.000 0.258 0.000 0.954 194 F CB 1.862 41.037 39.000 0.292 0.000 1.267 194 F HN 0.837 nan 8.300 nan 0.000 0.444 195 C N 8.820 127.808 119.300 -0.520 0.000 2.397 195 C HA 0.593 5.052 4.460 -0.001 0.000 0.325 195 C C -1.835 172.724 174.990 -0.718 0.000 1.201 195 C CA -1.544 57.288 59.018 -0.310 0.000 1.377 195 C CB 1.470 29.081 27.740 -0.216 0.000 2.038 195 C HN 0.745 nan 8.230 nan 0.000 0.457 196 P HA 0.065 nan 4.420 nan 0.000 0.228 196 P C 0.722 177.943 177.300 -0.132 0.000 1.166 196 P CA 1.209 64.104 63.100 -0.341 0.000 0.812 196 P CB 0.644 32.261 31.700 -0.138 0.000 0.857 197 E N -0.501 119.678 120.200 -0.034 0.000 2.122 197 E HA -0.039 4.311 4.350 -0.001 0.000 0.190 197 E C 0.153 176.557 176.600 -0.326 0.000 0.977 197 E CA 0.826 57.134 56.400 -0.154 0.000 0.820 197 E CB -0.688 28.912 29.700 -0.167 0.000 0.770 197 E HN 0.341 nan 8.360 nan 0.000 0.462 198 Y N 1.225 121.430 120.300 -0.158 0.000 2.691 198 Y HA 0.212 4.761 4.550 -0.001 0.000 0.338 198 Y C 0.171 175.984 175.900 -0.145 0.000 1.148 198 Y CA -1.118 56.873 58.100 -0.182 0.000 1.430 198 Y CB -0.042 38.283 38.460 -0.224 0.000 1.303 198 Y HN -0.187 nan 8.280 nan 0.000 0.499 199 V N -0.119 119.770 119.914 -0.041 0.000 2.743 199 V HA 0.652 4.771 4.120 -0.001 0.000 0.301 199 V C 0.405 176.508 176.094 0.013 0.000 1.057 199 V CA -1.100 61.206 62.300 0.010 0.000 1.006 199 V CB 1.405 33.268 31.823 0.066 0.000 1.024 199 V HN 0.622 nan 8.190 nan 0.000 0.473 200 S N 2.697 118.428 115.700 0.051 0.000 2.589 200 S HA 0.552 5.021 4.470 -0.001 0.000 0.265 200 S C -0.169 174.479 174.600 0.080 0.000 1.342 200 S CA -0.489 57.746 58.200 0.058 0.000 1.005 200 S CB 1.130 64.370 63.200 0.066 0.000 0.909 200 S HN 1.125 nan 8.310 nan 0.000 0.555 201 V N 2.795 122.735 119.914 0.044 0.000 2.604 201 V HA 0.781 4.900 4.120 -0.001 0.000 0.305 201 V C -0.570 175.548 176.094 0.039 0.000 1.043 201 V CA -0.739 61.531 62.300 -0.049 0.000 0.888 201 V CB 1.014 32.770 31.823 -0.111 0.000 0.995 201 V HN 0.931 nan 8.190 nan 0.000 0.429 202 F N 2.192 122.151 119.950 0.015 0.000 2.685 202 F HA 0.841 5.366 4.527 -0.002 0.000 0.315 202 F C -0.752 175.094 175.800 0.077 0.000 1.126 202 F CA -1.208 56.804 58.000 0.019 0.000 0.950 202 F CB 1.883 40.875 39.000 -0.013 0.000 1.360 202 F HN 0.633 nan 8.300 nan 0.000 0.469 203 N N -1.433 117.437 118.700 0.283 0.000 2.859 203 N HA 0.594 5.333 4.740 -0.001 0.000 0.250 203 N C -2.139 173.500 175.510 0.215 0.000 1.341 203 N CA -0.842 52.346 53.050 0.231 0.000 0.881 203 N CB 1.533 40.069 38.487 0.082 0.000 1.516 203 N HN 1.101 nan 8.380 nan 0.000 0.503 204 N N -0.397 118.408 118.700 0.175 0.000 2.419 204 N HA 0.605 5.344 4.740 -0.001 0.000 0.277 204 N C 1.187 176.716 175.510 0.032 0.000 1.006 204 N CA -0.379 52.748 53.050 0.128 0.000 0.923 204 N CB 1.275 39.834 38.487 0.120 0.000 1.140 204 N HN 0.798 nan 8.380 nan 0.000 0.488 205 V N 0.051 119.980 119.914 0.025 0.000 2.667 205 V HA -0.060 4.060 4.120 -0.001 0.000 0.252 205 V C 2.521 178.588 176.094 -0.045 0.000 1.065 205 V CA 2.968 65.201 62.300 -0.110 0.000 1.083 205 V CB -1.368 30.387 31.823 -0.114 0.000 0.692 205 V HN 0.981 nan 8.190 nan 0.000 0.468 206 Q N -0.051 119.774 119.800 0.042 0.000 2.049 206 Q HA 0.032 4.371 4.340 -0.001 0.000 0.198 206 Q C 2.049 178.080 176.000 0.052 0.000 0.971 206 Q CA 2.826 58.664 55.803 0.058 0.000 0.833 206 Q CB -1.059 27.730 28.738 0.086 0.000 0.896 206 Q HN 1.020 nan 8.270 nan 0.000 0.434 207 E N 0.095 120.332 120.200 0.061 0.000 2.831 207 E HA 0.337 4.686 4.350 -0.001 0.000 0.380 207 E C 0.894 177.535 176.600 0.068 0.000 0.805 207 E CA 1.760 58.207 56.400 0.077 0.000 2.277 207 E CB -1.018 28.746 29.700 0.106 0.000 1.035 207 E HN 2.013 nan 8.360 nan 0.000 0.559 208 N N -2.209 116.544 118.700 0.087 0.000 6.334 208 N HA 0.513 5.252 4.740 -0.001 0.000 0.126 208 N C -0.158 175.422 175.510 0.116 0.000 1.087 208 N CA 0.892 53.986 53.050 0.074 0.000 1.116 208 N CB -1.184 37.351 38.487 0.080 0.000 1.481 208 N HN 1.104 nan 8.380 nan 0.000 1.167 209 K N 0.462 120.916 120.400 0.089 0.000 2.086 209 K HA 0.587 4.906 4.320 -0.001 0.000 0.215 209 K C 1.906 178.480 176.600 -0.043 0.000 1.207 209 K CA 0.949 57.241 56.287 0.009 0.000 1.206 209 K CB -1.370 31.072 32.500 -0.097 0.000 1.253 209 K HN 2.528 nan 8.250 nan 0.000 0.234 210 G N -0.438 108.374 108.800 0.020 0.000 2.168 210 G HA2 0.125 4.084 3.960 -0.001 0.000 0.263 210 G HA3 0.125 4.084 3.960 -0.001 0.000 0.263 210 G C 0.706 175.635 174.900 0.048 0.000 0.977 210 G CA 0.793 45.906 45.100 0.021 0.000 0.659 210 G HN 2.397 nan 8.290 nan 0.000 0.533 211 A N -2.173 120.685 122.820 0.065 0.000 1.658 211 A HA 0.458 4.777 4.320 -0.001 0.000 0.220 211 A C 0.836 178.479 177.584 0.098 0.000 1.266 211 A CA 2.287 54.379 52.037 0.092 0.000 0.697 211 A CB -1.394 17.662 19.000 0.093 0.000 1.180 211 A HN 2.760 nan 8.150 nan 0.000 0.226 212 S N -0.150 115.615 115.700 0.108 0.000 2.428 212 S HA 0.766 5.235 4.470 -0.001 0.000 0.269 212 S C 0.916 175.560 174.600 0.074 0.000 1.026 212 S CA 0.294 58.562 58.200 0.114 0.000 1.019 212 S CB -0.382 62.884 63.200 0.111 0.000 1.191 212 S HN 2.243 nan 8.310 nan 0.000 0.429 213 I N 0.784 121.350 120.570 -0.006 0.000 2.454 213 I HA 0.178 4.348 4.170 -0.001 0.000 0.254 213 I C 1.718 177.581 176.117 -0.423 0.000 1.156 213 I CA 1.852 62.990 61.300 -0.271 0.000 1.433 213 I CB -1.447 36.250 38.000 -0.504 0.000 1.082 213 I HN 0.765 nan 8.210 nan 0.000 0.432 214 F N -0.282 119.681 119.950 0.021 0.000 2.656 214 F HA 0.252 4.779 4.527 -0.000 0.000 0.291 214 F C 1.253 177.066 175.800 0.022 0.000 1.122 214 F CA 0.121 58.133 58.000 0.019 0.000 1.427 214 F CB -0.068 38.945 39.000 0.022 0.000 1.125 214 F HN 0.273 nan 8.300 nan 0.000 0.583 215 N N 0.862 119.658 118.700 0.160 0.000 2.492 215 N HA 0.216 4.955 4.740 -0.001 0.000 0.289 215 N C -0.294 175.251 175.510 0.058 0.000 1.133 215 N CA -0.479 52.633 53.050 0.102 0.000 0.961 215 N CB 0.804 39.345 38.487 0.090 0.000 1.186 215 N HN -0.014 nan 8.380 nan 0.000 0.493 216 R N 0.979 121.510 120.500 0.051 0.000 2.638 216 R HA 0.014 4.353 4.340 -0.001 0.000 0.268 216 R C 0.394 176.691 176.300 -0.005 0.000 1.006 216 R CA 0.377 56.497 56.100 0.034 0.000 1.088 216 R CB 0.298 30.639 30.300 0.068 0.000 0.950 216 R HN 0.604 nan 8.270 nan 0.000 0.419 217 R N 0.477 120.963 120.500 -0.024 0.000 2.892 217 R HA 0.759 5.098 4.340 -0.001 0.000 0.265 217 R C -0.402 175.823 176.300 -0.124 0.000 1.025 217 R CA -0.265 55.796 56.100 -0.064 0.000 0.982 217 R CB 1.654 31.953 30.300 -0.001 0.000 1.185 217 R HN 0.719 nan 8.270 nan 0.000 0.484 218 G N -0.342 108.347 108.800 -0.186 0.000 2.661 218 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.685 218 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.685 218 G C -1.724 172.894 174.900 -0.470 0.000 1.298 218 G CA -0.614 44.357 45.100 -0.214 0.000 0.855 218 G HN 0.483 nan 8.290 nan 0.000 0.560 219 Y N -0.828 119.076 120.300 -0.660 0.000 2.536 219 Y HA 0.713 5.262 4.550 -0.002 0.000 0.347 219 Y C 0.679 176.035 175.900 -0.906 0.000 1.000 219 Y CA -0.776 56.835 58.100 -0.814 0.000 1.051 219 Y CB 1.778 39.710 38.460 -0.880 0.000 1.259 219 Y HN 0.740 nan 8.280 nan 0.000 0.468 220 F N -1.240 118.436 119.950 -0.458 0.000 2.425 220 F HA 0.807 5.333 4.527 -0.001 0.000 0.331 220 F C 0.019 175.745 175.800 -0.122 0.000 1.085 220 F CA -1.224 56.543 58.000 -0.387 0.000 1.028 220 F CB 0.672 39.358 39.000 -0.524 0.000 1.177 220 F HN 0.255 nan 8.300 nan 0.000 0.487 221 S N 0.685 116.547 115.700 0.269 0.000 2.592 221 S HA 0.074 4.543 4.470 -0.001 0.000 0.271 221 S C -0.598 174.262 174.600 0.433 0.000 1.326 221 S CA -0.666 57.752 58.200 0.363 0.000 1.024 221 S CB 0.633 64.025 63.200 0.319 0.000 0.921 221 S HN 0.720 nan 8.310 nan 0.000 0.527 222 D N 2.527 123.191 120.400 0.441 0.000 2.325 222 D HA 0.153 4.793 4.640 -0.001 0.000 0.251 222 D C -1.281 175.236 176.300 0.362 0.000 1.196 222 D CA -2.113 52.227 54.000 0.568 0.000 0.866 222 D CB 1.234 42.301 40.800 0.445 0.000 1.101 222 D HN 0.140 nan 8.370 nan 0.000 0.476 223 P HA -0.156 nan 4.420 nan 0.000 0.221 223 P C 1.015 178.479 177.300 0.273 0.000 1.145 223 P CA 0.756 64.006 63.100 0.250 0.000 0.795 223 P CB 0.264 32.043 31.700 0.132 0.000 0.775 224 A N -0.140 122.824 122.820 0.239 0.000 1.930 224 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 224 A C 2.209 179.803 177.584 0.016 0.000 1.175 224 A CA 1.263 53.378 52.037 0.130 0.000 0.627 224 A CB -1.478 17.617 19.000 0.157 0.000 0.815 224 A HN 0.204 nan 8.150 nan 0.000 0.443 225 L N -0.129 121.123 121.223 0.049 0.000 2.072 225 L HA -0.001 4.339 4.340 -0.001 0.000 0.205 225 L C 2.172 179.069 176.870 0.044 0.000 1.079 225 L CA 1.499 56.327 54.840 -0.020 0.000 0.752 225 L CB -0.372 41.689 42.059 0.002 0.000 0.906 225 L HN 0.411 nan 8.230 nan 0.000 0.436 226 I N -0.892 119.755 120.570 0.129 0.000 2.264 226 I HA -0.288 3.881 4.170 -0.001 0.000 0.248 226 I C 2.303 178.535 176.117 0.192 0.000 1.111 226 I CA 1.175 62.586 61.300 0.186 0.000 1.382 226 I CB -0.377 37.781 38.000 0.262 0.000 1.060 226 I HN 0.340 nan 8.210 nan 0.000 0.418 227 L N 0.225 121.500 121.223 0.086 0.000 2.109 227 L HA -0.112 4.227 4.340 -0.001 0.000 0.207 227 L C 2.325 179.052 176.870 -0.238 0.000 1.086 227 L CA 1.726 56.410 54.840 -0.259 0.000 0.760 227 L CB -0.406 41.379 42.059 -0.456 0.000 0.910 227 L HN 0.137 nan 8.230 nan 0.000 0.437 228 M N -1.550 117.939 119.600 -0.184 0.000 2.229 228 M HA -0.187 4.292 4.480 -0.001 0.000 0.264 228 M C 2.242 178.438 176.300 -0.174 0.000 1.063 228 M CA 1.582 56.747 55.300 -0.225 0.000 1.114 228 M CB -0.517 31.932 32.600 -0.252 0.000 1.387 228 M HN 0.466 nan 8.290 nan 0.000 0.420 229 H N 0.714 119.690 119.070 -0.157 0.000 2.353 229 H HA -0.123 4.432 4.556 -0.001 0.000 0.300 229 H C 1.880 177.103 175.328 -0.174 0.000 1.090 229 H CA 1.778 57.739 56.048 -0.144 0.000 1.327 229 H CB 0.253 29.989 29.762 -0.042 0.000 1.383 229 H HN 0.198 nan 8.280 nan 0.000 0.508 230 E N 0.514 120.724 120.200 0.015 0.000 2.150 230 E HA -0.110 4.239 4.350 -0.001 0.000 0.193 230 E C 2.474 179.015 176.600 -0.098 0.000 0.985 230 E CA 0.689 57.113 56.400 0.040 0.000 0.814 230 E CB -0.149 29.597 29.700 0.077 0.000 0.752 230 E HN 0.564 nan 8.360 nan 0.000 0.466 231 L N 0.409 121.513 121.223 -0.199 0.000 2.201 231 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 231 L C 2.390 179.071 176.870 -0.315 0.000 1.105 231 L CA 0.551 55.250 54.840 -0.234 0.000 0.775 231 L CB -0.267 41.616 42.059 -0.294 0.000 0.913 231 L HN 0.085 nan 8.230 nan 0.000 0.440 232 I N -1.268 119.050 120.570 -0.420 0.000 2.202 232 I HA -0.275 3.894 4.170 -0.001 0.000 0.242 232 I C 2.609 178.322 176.117 -0.674 0.000 1.091 232 I CA 0.859 61.801 61.300 -0.596 0.000 1.368 232 I CB -0.466 37.178 38.000 -0.594 0.000 1.058 232 I HN 0.293 nan 8.210 nan 0.000 0.410 233 H N 0.348 119.159 119.070 -0.432 0.000 2.352 233 H HA -0.138 4.417 4.556 -0.001 0.000 0.299 233 H C 2.489 177.723 175.328 -0.157 0.000 1.097 233 H CA 1.584 57.480 56.048 -0.253 0.000 1.311 233 H CB -0.476 29.215 29.762 -0.118 0.000 1.377 233 H HN 0.147 nan 8.280 nan 0.000 0.504 234 V N 1.152 121.062 119.914 -0.008 0.000 2.332 234 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 234 V C 2.718 178.814 176.094 0.003 0.000 1.055 234 V CA 1.537 63.845 62.300 0.014 0.000 1.038 234 V CB -0.738 31.083 31.823 -0.004 0.000 0.651 234 V HN 0.191 nan 8.190 nan 0.000 0.450 235 L N 0.026 121.175 121.223 -0.124 0.000 1.994 235 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 235 L C 2.374 179.307 176.870 0.106 0.000 1.071 235 L CA 2.181 56.971 54.840 -0.083 0.000 0.745 235 L CB -0.980 40.876 42.059 -0.340 0.000 0.892 235 L HN 0.459 nan 8.230 nan 0.000 0.431 236 H N -1.289 117.792 119.070 0.018 0.000 2.319 236 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 236 H C 2.021 177.437 175.328 0.147 0.000 1.092 236 H CA 0.757 56.841 56.048 0.060 0.000 1.302 236 H CB -0.415 29.368 29.762 0.036 0.000 1.373 236 H HN 0.546 nan 8.280 nan 0.000 0.497 237 G N 0.318 109.271 108.800 0.256 0.000 2.443 237 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.219 237 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.219 237 G C 1.606 176.637 174.900 0.218 0.000 1.131 237 G CA 0.388 45.618 45.100 0.216 0.000 0.775 237 G HN 0.231 nan 8.290 nan 0.000 0.547 238 L N -1.292 120.061 121.223 0.215 0.000 2.131 238 L HA 0.100 4.439 4.340 -0.001 0.000 0.206 238 L C 2.033 178.959 176.870 0.093 0.000 1.087 238 L CA 0.548 55.476 54.840 0.147 0.000 0.767 238 L CB -0.098 42.028 42.059 0.112 0.000 0.917 238 L HN 0.167 nan 8.230 nan 0.000 0.441 239 Y N 0.150 120.514 120.300 0.106 0.000 2.490 239 Y HA 0.181 4.730 4.550 -0.001 0.000 0.281 239 Y C 1.730 177.797 175.900 0.279 0.000 1.174 239 Y CA 0.238 58.417 58.100 0.131 0.000 1.295 239 Y CB -0.337 38.197 38.460 0.122 0.000 1.062 239 Y HN 0.235 nan 8.280 nan 0.000 0.522 240 G N 1.738 110.745 108.800 0.344 0.000 2.283 240 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.280 240 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.280 240 G C 0.758 175.839 174.900 0.302 0.000 1.029 240 G CA 0.838 46.122 45.100 0.307 0.000 0.840 240 G HN 0.691 nan 8.290 nan 0.000 0.505 241 I N -3.054 117.692 120.570 0.293 0.000 3.914 241 I HA 0.488 4.657 4.170 -0.001 0.000 0.333 241 I C 1.113 177.285 176.117 0.091 0.000 1.449 241 I CA -0.204 61.212 61.300 0.194 0.000 1.135 241 I CB 0.418 38.504 38.000 0.144 0.000 1.073 241 I HN 0.049 nan 8.210 nan 0.000 0.401 242 K N 3.027 123.503 120.400 0.126 0.000 3.165 242 K HA 0.172 4.491 4.320 -0.001 0.000 0.270 242 K C 0.430 177.049 176.600 0.032 0.000 1.111 242 K CA -0.260 56.075 56.287 0.079 0.000 1.216 242 K CB -0.180 32.389 32.500 0.115 0.000 1.229 242 K HN 0.490 nan 8.250 nan 0.000 0.435 243 V N -1.076 118.860 119.914 0.037 0.000 2.872 243 V HA 0.078 4.197 4.120 -0.001 0.000 0.307 243 V C 0.033 176.119 176.094 -0.014 0.000 1.072 243 V CA -0.305 62.013 62.300 0.029 0.000 1.148 243 V CB 0.810 32.663 31.823 0.051 0.000 0.954 243 V HN 0.173 nan 8.190 nan 0.000 0.490 244 D N 2.941 123.332 120.400 -0.014 0.000 2.225 244 D HA 0.510 5.150 4.640 -0.001 0.000 0.249 244 D C -0.333 175.957 176.300 -0.016 0.000 1.052 244 D CA 0.037 54.015 54.000 -0.037 0.000 0.909 244 D CB 1.933 42.706 40.800 -0.045 0.000 1.186 244 D HN 0.933 nan 8.370 nan 0.000 0.431 245 D N 0.121 120.504 120.400 -0.029 0.000 3.103 245 D HA 0.107 4.746 4.640 -0.001 0.000 0.337 245 D C -1.030 175.256 176.300 -0.025 0.000 1.356 245 D CA -0.574 53.419 54.000 -0.012 0.000 0.951 245 D CB 1.363 42.163 40.800 -0.000 0.000 1.438 245 D HN 0.109 nan 8.370 nan 0.000 0.562 246 L N 3.235 124.448 121.223 -0.016 0.000 2.597 246 L HA 0.259 4.599 4.340 -0.001 0.000 0.271 246 L C -1.978 174.859 176.870 -0.056 0.000 1.157 246 L CA -0.273 54.549 54.840 -0.030 0.000 0.928 246 L CB 0.267 42.316 42.059 -0.017 0.000 1.216 246 L HN 0.147 nan 8.230 nan 0.000 0.481 247 P HA 0.195 nan 4.420 nan 0.000 0.278 247 P C -0.884 176.360 177.300 -0.094 0.000 1.266 247 P CA -0.638 62.421 63.100 -0.069 0.000 0.807 247 P CB 1.229 32.899 31.700 -0.050 0.000 1.094 248 I N 1.889 122.429 120.570 -0.050 0.000 2.297 248 I HA 0.125 4.294 4.170 -0.001 0.000 0.291 248 I C 0.483 176.633 176.117 0.056 0.000 1.033 248 I CA -0.552 60.730 61.300 -0.031 0.000 1.253 248 I CB 0.661 38.733 38.000 0.119 0.000 1.396 248 I HN 0.123 nan 8.210 nan 0.000 0.476 249 V N 7.269 127.164 119.914 -0.030 0.000 2.435 249 V HA 0.665 4.784 4.120 -0.001 0.000 0.290 249 V C -2.455 173.605 176.094 -0.056 0.000 1.030 249 V CA -2.083 60.215 62.300 -0.003 0.000 0.881 249 V CB 1.445 33.239 31.823 -0.050 0.000 0.983 249 V HN 0.492 nan 8.190 nan 0.000 0.445 250 P HA 0.153 nan 4.420 nan 0.000 0.275 250 P C -0.645 176.486 177.300 -0.281 0.000 1.228 250 P CA -0.190 62.678 63.100 -0.387 0.000 0.786 250 P CB 0.894 32.405 31.700 -0.314 0.000 0.927 251 N N 2.076 120.565 118.700 -0.352 0.000 2.488 251 N HA 0.036 4.775 4.740 -0.001 0.000 0.274 251 N C -0.014 175.320 175.510 -0.293 0.000 1.111 251 N CA 0.212 53.093 53.050 -0.282 0.000 0.974 251 N CB 0.219 38.502 38.487 -0.340 0.000 1.089 251 N HN 0.345 nan 8.380 nan 0.000 0.465 252 E N 2.092 122.157 120.200 -0.225 0.000 2.887 252 E HA 0.127 4.477 4.350 -0.001 0.000 0.206 252 E C 0.390 176.870 176.600 -0.201 0.000 0.983 252 E CA -0.098 56.183 56.400 -0.198 0.000 1.141 252 E CB 0.615 30.248 29.700 -0.111 0.000 1.061 252 E HN 0.552 nan 8.360 nan 0.000 0.468 253 K N 0.548 120.794 120.400 -0.257 0.000 2.137 253 K HA 0.050 4.370 4.320 -0.001 0.000 0.202 253 K C 0.656 177.103 176.600 -0.255 0.000 1.052 253 K CA 0.680 56.844 56.287 -0.205 0.000 0.961 253 K CB 0.344 32.745 32.500 -0.165 0.000 0.741 253 K HN -0.122 nan 8.250 nan 0.000 0.452 254 K N 0.933 121.036 120.400 -0.496 0.000 2.098 254 K HA 0.084 4.403 4.320 -0.001 0.000 0.258 254 K C 0.978 177.195 176.600 -0.639 0.000 0.973 254 K CA -0.314 55.559 56.287 -0.689 0.000 0.898 254 K CB 0.747 32.325 32.500 -1.537 0.000 1.057 254 K HN -0.000 nan 8.250 nan 0.000 0.447 255 F N 0.706 120.434 119.950 -0.369 0.000 2.269 255 F HA -0.129 4.394 4.527 -0.007 0.000 0.301 255 F C 1.324 177.058 175.800 -0.110 0.000 1.082 255 F CA 0.676 58.571 58.000 -0.174 0.000 1.360 255 F CB -0.663 38.314 39.000 -0.037 0.000 1.041 255 F HN 0.436 nan 8.300 nan 0.000 0.512 256 F N -0.222 119.146 119.950 -0.971 0.000 2.797 256 F HA 0.406 4.938 4.527 0.009 0.000 0.302 256 F C 0.488 176.277 175.800 -0.019 0.000 1.130 256 F CA -1.235 56.513 58.000 -0.420 0.000 1.387 256 F CB -1.291 37.461 39.000 -0.414 0.000 1.107 256 F HN -0.111 nan 8.300 nan 0.000 0.577 257 M N 1.792 121.184 119.600 -0.347 0.000 2.216 257 M HA 0.167 4.646 4.480 -0.001 0.000 0.356 257 M C 0.176 176.459 176.300 -0.030 0.000 1.205 257 M CA -0.209 54.995 55.300 -0.159 0.000 1.122 257 M CB 1.258 33.608 32.600 -0.416 0.000 1.571 257 M HN 0.170 nan 8.290 nan 0.000 0.464 258 Q N 1.728 121.569 119.800 0.067 0.000 2.297 258 Q HA 0.151 4.490 4.340 -0.001 0.000 0.267 258 Q C -0.947 175.110 176.000 0.097 0.000 1.006 258 Q CA 0.029 55.915 55.803 0.140 0.000 0.896 258 Q CB 0.802 29.721 28.738 0.301 0.000 1.186 258 Q HN 0.641 nan 8.270 nan 0.000 0.392 259 S N 2.925 118.707 115.700 0.138 0.000 2.475 259 S HA 0.483 4.952 4.470 -0.001 0.000 0.281 259 S C -0.465 174.227 174.600 0.154 0.000 1.198 259 S CA -0.288 57.984 58.200 0.119 0.000 1.063 259 S CB 1.532 64.824 63.200 0.154 0.000 0.972 259 S HN 0.722 nan 8.310 nan 0.000 0.486 260 T N 1.949 116.589 114.554 0.144 0.000 2.718 260 T HA 0.254 4.603 4.350 -0.001 0.000 0.306 260 T C -1.775 173.004 174.700 0.133 0.000 1.485 260 T CA -0.790 61.408 62.100 0.164 0.000 0.997 260 T CB 0.910 69.960 68.868 0.303 0.000 1.504 260 T HN 0.445 nan 8.240 nan 0.000 0.497 261 D N 1.329 121.796 120.400 0.111 0.000 2.360 261 D HA 0.503 5.142 4.640 -0.001 0.000 0.242 261 D C 0.304 176.670 176.300 0.109 0.000 1.184 261 D CA -0.039 54.011 54.000 0.083 0.000 0.930 261 D CB 0.974 41.810 40.800 0.060 0.000 1.161 261 D HN 0.766 nan 8.370 nan 0.000 0.447 262 A N 1.154 124.012 122.820 0.063 0.000 2.462 262 A HA 0.325 4.644 4.320 -0.001 0.000 0.243 262 A C 0.217 177.819 177.584 0.030 0.000 1.076 262 A CA -0.077 51.990 52.037 0.050 0.000 0.773 262 A CB -0.034 18.971 19.000 0.009 0.000 1.010 262 A HN 0.477 nan 8.150 nan 0.000 0.493 263 I N 2.747 123.330 120.570 0.022 0.000 2.355 263 I HA 0.183 4.352 4.170 -0.001 0.000 0.288 263 I C -0.052 176.007 176.117 -0.098 0.000 0.999 263 I CA -0.571 60.688 61.300 -0.069 0.000 1.163 263 I CB 1.432 39.357 38.000 -0.126 0.000 1.316 263 I HN 0.606 nan 8.210 nan 0.000 0.454 264 Q N 3.488 123.215 119.800 -0.121 0.000 2.354 264 Q HA 0.285 4.624 4.340 -0.001 0.000 0.244 264 Q C 1.028 176.916 176.000 -0.185 0.000 0.969 264 Q CA -0.117 55.608 55.803 -0.130 0.000 0.885 264 Q CB 1.609 30.277 28.738 -0.116 0.000 1.241 264 Q HN 0.844 nan 8.270 nan 0.000 0.461 265 A N 1.962 124.639 122.820 -0.238 0.000 2.019 265 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 265 A C 1.711 178.947 177.584 -0.581 0.000 1.164 265 A CA 1.534 53.314 52.037 -0.428 0.000 0.644 265 A CB -0.185 18.489 19.000 -0.544 0.000 0.805 265 A HN 0.776 nan 8.150 nan 0.000 0.449 266 E N 0.179 120.164 120.200 -0.358 0.000 2.204 266 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 266 E C 1.838 178.465 176.600 0.045 0.000 0.990 266 E CA 1.591 57.892 56.400 -0.165 0.000 0.821 266 E CB -0.050 29.618 29.700 -0.054 0.000 0.750 266 E HN 0.726 nan 8.360 nan 0.000 0.477 267 E N 0.329 120.526 120.200 -0.005 0.000 2.072 267 E HA -0.077 4.273 4.350 -0.001 0.000 0.190 267 E C 2.246 178.848 176.600 0.004 0.000 0.982 267 E CA 0.903 57.339 56.400 0.060 0.000 0.803 267 E CB -0.235 29.389 29.700 -0.126 0.000 0.755 267 E HN 0.284 nan 8.360 nan 0.000 0.453 268 L N -0.330 120.848 121.223 -0.075 0.000 2.179 268 L HA -0.072 4.267 4.340 -0.001 0.000 0.208 268 L C 2.114 179.166 176.870 0.302 0.000 1.096 268 L CA 0.542 55.415 54.840 0.056 0.000 0.779 268 L CB -0.500 41.582 42.059 0.038 0.000 0.922 268 L HN 0.203 nan 8.230 nan 0.000 0.443 269 Y N 0.831 121.200 120.300 0.114 0.000 2.145 269 Y HA -0.191 4.358 4.550 -0.002 0.000 0.286 269 Y C 2.933 178.898 175.900 0.109 0.000 1.145 269 Y CA 1.102 59.281 58.100 0.132 0.000 1.148 269 Y CB -1.382 37.096 38.460 0.029 0.000 0.981 269 Y HN 0.152 nan 8.280 nan 0.000 0.507 270 T N 0.486 115.199 114.554 0.265 0.000 2.720 270 T HA -0.233 4.117 4.350 -0.001 0.000 0.268 270 T C 1.742 176.490 174.700 0.080 0.000 1.037 270 T CA 1.594 63.729 62.100 0.058 0.000 1.144 270 T CB -0.697 68.020 68.868 -0.251 0.000 0.864 270 T HN 0.271 nan 8.240 nan 0.000 0.444 271 F N 1.444 121.449 119.950 0.092 0.000 2.206 271 F HA 0.262 4.789 4.527 -0.001 0.000 0.298 271 F C 1.605 177.460 175.800 0.091 0.000 1.090 271 F CA 0.937 59.016 58.000 0.132 0.000 1.323 271 F CB -0.686 38.407 39.000 0.154 0.000 1.028 271 F HN 0.383 nan 8.300 nan 0.000 0.492 272 G N -0.170 108.686 108.800 0.094 0.000 2.593 272 G HA2 0.192 4.151 3.960 -0.001 0.000 0.237 272 G HA3 0.192 4.151 3.960 -0.001 0.000 0.237 272 G C 0.820 175.712 174.900 -0.014 0.000 1.312 272 G CA 0.139 45.243 45.100 0.006 0.000 0.896 272 G HN 1.548 nan 8.290 nan 0.000 0.574 273 G N -1.165 107.596 108.800 -0.065 0.000 2.561 273 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.289 273 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.289 273 G C 1.265 176.211 174.900 0.076 0.000 1.169 273 G CA 2.321 47.410 45.100 -0.020 0.000 0.980 273 G HN 2.361 nan 8.290 nan 0.000 0.550 274 Q N -0.101 119.778 119.800 0.133 0.000 2.398 274 Q HA 0.194 4.533 4.340 -0.001 0.000 0.204 274 Q C 1.648 177.764 176.000 0.194 0.000 0.932 274 Q CA 1.439 57.327 55.803 0.142 0.000 0.916 274 Q CB 0.067 28.878 28.738 0.121 0.000 1.024 274 Q HN 0.517 nan 8.270 nan 0.000 0.504 275 D N 2.158 122.720 120.400 0.270 0.000 2.149 275 D HA -0.112 4.527 4.640 -0.001 0.000 0.198 275 D C -0.826 175.646 176.300 0.286 0.000 0.990 275 D CA 0.983 55.166 54.000 0.304 0.000 0.839 275 D CB -1.263 39.767 40.800 0.383 0.000 0.948 275 D HN 0.369 nan 8.370 nan 0.000 0.460 276 P HA -0.023 nan 4.420 nan 0.000 0.220 276 P C 1.170 178.645 177.300 0.291 0.000 1.148 276 P CA 1.048 64.363 63.100 0.358 0.000 0.803 276 P CB 0.095 31.946 31.700 0.251 0.000 0.782 277 S N -0.938 114.897 115.700 0.225 0.000 2.442 277 S HA -0.057 4.412 4.470 -0.001 0.000 0.236 277 S C 1.677 176.415 174.600 0.230 0.000 1.007 277 S CA 0.771 59.104 58.200 0.221 0.000 0.965 277 S CB -0.932 62.387 63.200 0.200 0.000 0.773 277 S HN 0.194 nan 8.310 nan 0.000 0.504 278 I N 1.128 121.835 120.570 0.229 0.000 3.001 278 I HA -0.007 4.162 4.170 -0.001 0.000 0.268 278 I C -0.157 176.117 176.117 0.262 0.000 1.267 278 I CA 0.538 61.977 61.300 0.233 0.000 1.472 278 I CB 0.084 38.216 38.000 0.219 0.000 1.089 278 I HN 0.165 nan 8.210 nan 0.000 0.468 279 I N 2.180 122.905 120.570 0.258 0.000 2.291 279 I HA 0.072 4.241 4.170 -0.001 0.000 0.290 279 I C 0.961 177.242 176.117 0.272 0.000 1.050 279 I CA -0.145 61.302 61.300 0.245 0.000 1.245 279 I CB 0.362 38.516 38.000 0.256 0.000 1.405 279 I HN 0.104 nan 8.210 nan 0.000 0.478 280 T N 4.762 119.474 114.554 0.263 0.000 2.906 280 T HA 0.089 4.438 4.350 -0.001 0.000 0.320 280 T C -1.719 173.122 174.700 0.236 0.000 1.088 280 T CA -0.790 61.455 62.100 0.242 0.000 1.120 280 T CB 0.463 69.466 68.868 0.225 0.000 1.000 280 T HN 0.327 nan 8.240 nan 0.000 0.550 281 P HA -0.054 nan 4.420 nan 0.000 0.218 281 P C 1.806 179.211 177.300 0.176 0.000 1.148 281 P CA 0.926 64.160 63.100 0.222 0.000 0.822 281 P CB -0.076 31.776 31.700 0.253 0.000 0.784 282 S N -0.924 114.866 115.700 0.151 0.000 2.351 282 S HA -0.158 4.311 4.470 -0.001 0.000 0.220 282 S C 1.937 176.613 174.600 0.125 0.000 1.035 282 S CA 2.029 60.296 58.200 0.112 0.000 1.031 282 S CB -1.526 61.732 63.200 0.097 0.000 0.928 282 S HN 0.253 nan 8.310 nan 0.000 0.433 283 T N 1.971 116.614 114.554 0.148 0.000 2.915 283 T HA -0.066 4.283 4.350 -0.001 0.000 0.269 283 T C 1.285 176.109 174.700 0.205 0.000 1.071 283 T CA 1.079 63.267 62.100 0.147 0.000 1.132 283 T CB -0.434 68.510 68.868 0.127 0.000 0.878 283 T HN 0.271 nan 8.240 nan 0.000 0.479 284 D N 1.310 121.870 120.400 0.268 0.000 2.144 284 D HA -0.041 4.598 4.640 -0.001 0.000 0.199 284 D C 2.137 178.635 176.300 0.330 0.000 0.984 284 D CA 1.077 55.312 54.000 0.392 0.000 0.834 284 D CB -0.053 40.970 40.800 0.372 0.000 0.955 284 D HN 0.384 nan 8.370 nan 0.000 0.465 285 K N 0.172 120.694 120.400 0.203 0.000 2.116 285 K HA -0.001 4.319 4.320 -0.001 0.000 0.203 285 K C 2.196 178.901 176.600 0.176 0.000 1.052 285 K CA 0.630 57.002 56.287 0.140 0.000 0.952 285 K CB -0.085 32.439 32.500 0.040 0.000 0.729 285 K HN -0.092 nan 8.250 nan 0.000 0.446 286 S N 1.322 117.108 115.700 0.144 0.000 2.359 286 S HA -0.139 4.330 4.470 -0.001 0.000 0.224 286 S C 1.929 176.610 174.600 0.135 0.000 1.035 286 S CA 1.153 59.422 58.200 0.115 0.000 1.018 286 S CB -0.220 63.034 63.200 0.090 0.000 0.876 286 S HN 0.195 nan 8.310 nan 0.000 0.448 287 I N -0.106 120.572 120.570 0.180 0.000 2.315 287 I HA -0.118 4.051 4.170 -0.001 0.000 0.248 287 I C 2.235 178.475 176.117 0.206 0.000 1.117 287 I CA 1.482 62.896 61.300 0.190 0.000 1.404 287 I CB -0.519 37.626 38.000 0.242 0.000 1.071 287 I HN 0.412 nan 8.210 nan 0.000 0.419 288 Y N 2.149 122.495 120.300 0.076 0.000 2.128 288 Y HA -0.334 4.215 4.550 -0.001 0.000 0.284 288 Y C 2.241 178.073 175.900 -0.113 0.000 1.154 288 Y CA 1.941 59.940 58.100 -0.168 0.000 1.149 288 Y CB -0.198 38.148 38.460 -0.189 0.000 0.976 288 Y HN 0.180 nan 8.280 nan 0.000 0.505 289 D N 0.184 120.699 120.400 0.192 0.000 2.117 289 D HA -0.168 4.471 4.640 -0.001 0.000 0.197 289 D C 2.015 178.287 176.300 -0.047 0.000 0.987 289 D CA 1.509 55.548 54.000 0.064 0.000 0.829 289 D CB -0.227 40.627 40.800 0.091 0.000 0.961 289 D HN 0.419 nan 8.370 nan 0.000 0.460 290 K N 0.367 120.766 120.400 -0.001 0.000 2.032 290 K HA -0.088 4.231 4.320 -0.001 0.000 0.209 290 K C 2.214 178.794 176.600 -0.033 0.000 1.048 290 K CA 0.718 57.003 56.287 -0.003 0.000 0.927 290 K CB -0.121 32.401 32.500 0.036 0.000 0.712 290 K HN -0.005 nan 8.250 nan 0.000 0.441 291 V N 1.615 121.499 119.914 -0.050 0.000 2.343 291 V HA -0.227 3.892 4.120 -0.001 0.000 0.247 291 V C 2.181 178.150 176.094 -0.209 0.000 1.051 291 V CA 1.382 63.640 62.300 -0.070 0.000 1.036 291 V CB -0.408 31.398 31.823 -0.030 0.000 0.654 291 V HN 0.275 nan 8.190 nan 0.000 0.451 292 L N 0.121 121.136 121.223 -0.346 0.000 2.083 292 L HA -0.173 4.166 4.340 -0.001 0.000 0.209 292 L C 2.349 179.034 176.870 -0.309 0.000 1.083 292 L CA 2.025 56.488 54.840 -0.629 0.000 0.752 292 L CB -0.812 40.760 42.059 -0.812 0.000 0.899 292 L HN 0.306 nan 8.230 nan 0.000 0.433 293 Q N -0.328 119.365 119.800 -0.179 0.000 2.119 293 Q HA -0.146 4.193 4.340 -0.001 0.000 0.201 293 Q C 2.044 178.006 176.000 -0.064 0.000 0.972 293 Q CA 1.584 57.324 55.803 -0.105 0.000 0.847 293 Q CB -0.304 28.393 28.738 -0.069 0.000 0.903 293 Q HN 0.544 nan 8.270 nan 0.000 0.433 294 N N -0.667 118.020 118.700 -0.021 0.000 2.188 294 N HA -0.104 4.636 4.740 -0.001 0.000 0.184 294 N C 1.243 176.779 175.510 0.044 0.000 1.018 294 N CA 0.860 53.899 53.050 -0.020 0.000 0.858 294 N CB -0.315 38.195 38.487 0.039 0.000 0.989 294 N HN 0.214 nan 8.380 nan 0.000 0.426 295 F N 1.685 121.559 119.950 -0.127 0.000 2.186 295 F HA 0.038 4.564 4.527 -0.001 0.000 0.299 295 F C 2.283 178.003 175.800 -0.133 0.000 1.090 295 F CA 0.644 58.607 58.000 -0.063 0.000 1.307 295 F CB -0.359 38.705 39.000 0.107 0.000 1.019 295 F HN -0.017 nan 8.300 nan 0.000 0.489 296 R N -0.354 120.152 120.500 0.009 0.000 2.083 296 R HA -0.138 4.202 4.340 -0.001 0.000 0.237 296 R C 2.549 178.756 176.300 -0.154 0.000 1.137 296 R CA 1.333 57.369 56.100 -0.106 0.000 0.951 296 R CB -1.224 29.008 30.300 -0.113 0.000 0.851 296 R HN 0.375 nan 8.270 nan 0.000 0.434 297 G N 1.218 109.926 108.800 -0.154 0.000 2.432 297 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.219 297 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.219 297 G C 1.362 176.107 174.900 -0.259 0.000 1.135 297 G CA 0.399 45.387 45.100 -0.186 0.000 0.767 297 G HN 0.080 nan 8.290 nan 0.000 0.550 298 I N 0.631 120.995 120.570 -0.342 0.000 2.233 298 I HA -0.060 4.109 4.170 -0.001 0.000 0.243 298 I C 2.862 178.787 176.117 -0.320 0.000 1.093 298 I CA 0.653 61.683 61.300 -0.450 0.000 1.380 298 I CB -1.163 36.436 38.000 -0.669 0.000 1.067 298 I HN 0.117 nan 8.210 nan 0.000 0.413 299 V N 1.427 121.069 119.914 -0.454 0.000 2.490 299 V HA -0.296 3.823 4.120 -0.001 0.000 0.250 299 V C 2.169 178.078 176.094 -0.309 0.000 1.061 299 V CA 2.539 64.399 62.300 -0.734 0.000 1.064 299 V CB -0.438 30.701 31.823 -1.140 0.000 0.670 299 V HN 0.381 nan 8.190 nan 0.000 0.461 300 D N -0.365 119.895 120.400 -0.234 0.000 2.144 300 D HA -0.156 4.483 4.640 -0.001 0.000 0.200 300 D C 2.338 178.579 176.300 -0.099 0.000 0.978 300 D CA 1.296 55.209 54.000 -0.145 0.000 0.833 300 D CB -0.180 40.544 40.800 -0.126 0.000 0.961 300 D HN 0.411 nan 8.370 nan 0.000 0.470 301 R N -0.434 120.002 120.500 -0.105 0.000 2.120 301 R HA -0.026 4.314 4.340 -0.001 0.000 0.234 301 R C 2.348 178.674 176.300 0.043 0.000 1.123 301 R CA 0.748 56.822 56.100 -0.044 0.000 0.975 301 R CB -0.172 30.065 30.300 -0.104 0.000 0.866 301 R HN 0.314 nan 8.270 nan 0.000 0.446 302 L N 0.499 121.784 121.223 0.102 0.000 2.156 302 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 302 L C 1.545 178.451 176.870 0.061 0.000 1.095 302 L CA 0.812 55.791 54.840 0.231 0.000 0.770 302 L CB -0.362 41.991 42.059 0.489 0.000 0.914 302 L HN 0.193 nan 8.230 nan 0.000 0.439 303 N N 0.332 119.020 118.700 -0.020 0.000 2.550 303 N HA -0.085 4.654 4.740 -0.001 0.000 0.186 303 N C 1.282 176.739 175.510 -0.089 0.000 1.110 303 N CA 0.885 53.875 53.050 -0.101 0.000 0.912 303 N CB 0.233 38.662 38.487 -0.097 0.000 0.968 303 N HN 0.452 nan 8.380 nan 0.000 0.448 304 K N -0.414 119.945 120.400 -0.069 0.000 2.464 304 K HA 0.154 4.473 4.320 -0.001 0.000 0.206 304 K C 0.242 176.784 176.600 -0.098 0.000 1.186 304 K CA -0.132 56.110 56.287 -0.075 0.000 0.990 304 K CB 1.181 33.643 32.500 -0.064 0.000 1.003 304 K HN -0.145 nan 8.250 nan 0.000 0.562 305 V N 2.531 122.370 119.914 -0.125 0.000 2.617 305 V HA -0.050 4.069 4.120 -0.001 0.000 0.304 305 V C 0.631 176.597 176.094 -0.213 0.000 1.040 305 V CA 0.807 62.953 62.300 -0.258 0.000 1.149 305 V CB 0.363 31.880 31.823 -0.511 0.000 0.914 305 V HN 0.245 nan 8.190 nan 0.000 0.487 306 L N 6.252 127.353 121.223 -0.203 0.000 2.885 306 L HA 0.365 4.704 4.340 -0.001 0.000 0.251 306 L C 0.142 176.957 176.870 -0.092 0.000 1.071 306 L CA 0.613 55.383 54.840 -0.117 0.000 0.956 306 L CB 0.974 42.987 42.059 -0.078 0.000 1.483 306 L HN 0.653 nan 8.230 nan 0.000 0.525 307 V N -3.818 116.029 119.914 -0.110 0.000 3.202 307 V HA 0.600 4.719 4.120 -0.001 0.000 0.306 307 V C -1.669 174.419 176.094 -0.009 0.000 1.283 307 V CA -1.233 61.044 62.300 -0.039 0.000 1.065 307 V CB 2.331 34.143 31.823 -0.018 0.000 1.079 307 V HN 0.058 nan 8.190 nan 0.000 0.448 308 C N 3.983 123.319 119.300 0.059 0.000 2.442 308 C HA 0.673 5.132 4.460 -0.001 0.000 0.335 308 C C 1.255 176.277 174.990 0.055 0.000 1.134 308 C CA -0.204 58.877 59.018 0.104 0.000 1.344 308 C CB 0.084 27.924 27.740 0.167 0.000 1.956 308 C HN 1.037 nan 8.230 nan 0.000 0.438 309 I N 4.277 124.869 120.570 0.036 0.000 2.480 309 I HA 0.049 4.218 4.170 -0.001 0.000 0.251 309 I C 2.068 178.193 176.117 0.014 0.000 1.124 309 I CA 2.044 63.355 61.300 0.018 0.000 1.444 309 I CB -1.776 36.227 38.000 0.006 0.000 1.098 309 I HN 0.691 nan 8.210 nan 0.000 0.428 310 S N 0.930 116.640 115.700 0.016 0.000 2.383 310 S HA -0.198 4.271 4.470 -0.001 0.000 0.229 310 S C 0.769 175.374 174.600 0.008 0.000 1.030 310 S CA 1.231 59.434 58.200 0.005 0.000 1.002 310 S CB -0.632 62.573 63.200 0.008 0.000 0.829 310 S HN 0.629 nan 8.310 nan 0.000 0.467 311 D N 1.109 121.523 120.400 0.024 0.000 2.402 311 D HA 0.475 5.115 4.640 -0.001 0.000 0.252 311 D C -2.436 173.884 176.300 0.033 0.000 1.294 311 D CA -2.348 51.666 54.000 0.023 0.000 0.948 311 D CB 1.826 42.648 40.800 0.036 0.000 1.202 311 D HN -0.131 nan 8.370 nan 0.000 0.561 312 P HA -0.059 nan 4.420 nan 0.000 0.219 312 P C 0.684 178.008 177.300 0.041 0.000 1.146 312 P CA 0.949 64.066 63.100 0.030 0.000 0.808 312 P CB 0.227 31.938 31.700 0.018 0.000 0.779 313 N N -1.299 117.424 118.700 0.038 0.000 2.459 313 N HA -0.024 4.716 4.740 -0.001 0.000 0.181 313 N C 0.231 175.791 175.510 0.085 0.000 1.046 313 N CA -0.086 52.995 53.050 0.051 0.000 0.904 313 N CB -0.132 38.376 38.487 0.035 0.000 0.964 313 N HN -0.007 nan 8.380 nan 0.000 0.444 314 I N 1.749 122.370 120.570 0.085 0.000 2.683 314 I HA -0.111 4.058 4.170 -0.001 0.000 0.286 314 I C 0.470 176.682 176.117 0.159 0.000 1.175 314 I CA 0.482 61.843 61.300 0.101 0.000 1.429 314 I CB -0.103 37.892 38.000 -0.008 0.000 1.371 314 I HN 0.191 nan 8.210 nan 0.000 0.569 315 N N 7.710 126.553 118.700 0.238 0.000 2.589 315 N HA 0.090 4.829 4.740 -0.001 0.000 0.232 315 N C 1.091 176.783 175.510 0.305 0.000 1.015 315 N CA -0.521 52.661 53.050 0.219 0.000 0.931 315 N CB 0.791 39.383 38.487 0.174 0.000 1.150 315 N HN 0.328 nan 8.380 nan 0.000 0.512 316 I N 2.676 123.415 120.570 0.282 0.000 2.103 316 I HA -0.392 3.778 4.170 -0.001 0.000 0.241 316 I C 1.869 178.193 176.117 0.344 0.000 1.036 316 I CA 1.353 62.867 61.300 0.355 0.000 1.300 316 I CB -1.156 36.947 38.000 0.173 0.000 1.010 316 I HN 0.580 nan 8.210 nan 0.000 0.406 317 N N 0.684 119.515 118.700 0.218 0.000 2.149 317 N HA -0.153 4.586 4.740 -0.001 0.000 0.188 317 N C 1.898 177.516 175.510 0.179 0.000 1.019 317 N CA 1.199 54.359 53.050 0.185 0.000 0.857 317 N CB -0.036 38.523 38.487 0.120 0.000 0.997 317 N HN 0.313 nan 8.380 nan 0.000 0.426 318 I N 0.625 121.286 120.570 0.153 0.000 2.179 318 I HA -0.260 3.909 4.170 -0.001 0.000 0.242 318 I C 1.957 178.037 176.117 -0.063 0.000 1.088 318 I CA 1.293 62.615 61.300 0.036 0.000 1.357 318 I CB -1.168 36.840 38.000 0.012 0.000 1.051 318 I HN 0.092 nan 8.210 nan 0.000 0.409 319 Y N 1.283 121.588 120.300 0.009 0.000 2.263 319 Y HA -0.143 4.407 4.550 -0.001 0.000 0.292 319 Y C 2.563 178.509 175.900 0.077 0.000 1.130 319 Y CA 1.288 59.301 58.100 -0.144 0.000 1.179 319 Y CB -0.322 38.017 38.460 -0.203 0.000 0.998 319 Y HN 0.120 nan 8.280 nan 0.000 0.532 320 K N -0.028 120.668 120.400 0.494 0.000 2.063 320 K HA -0.194 4.126 4.320 -0.001 0.000 0.208 320 K C 1.595 178.474 176.600 0.464 0.000 1.048 320 K CA 1.538 58.189 56.287 0.607 0.000 0.928 320 K CB -0.220 32.594 32.500 0.523 0.000 0.713 320 K HN 0.381 nan 8.250 nan 0.000 0.442 321 N N 0.862 119.719 118.700 0.262 0.000 2.354 321 N HA -0.117 4.623 4.740 -0.001 0.000 0.179 321 N C 1.707 177.217 175.510 -0.001 0.000 1.021 321 N CA 0.840 53.974 53.050 0.140 0.000 0.887 321 N CB 0.074 38.624 38.487 0.106 0.000 0.974 321 N HN 0.064 nan 8.380 nan 0.000 0.437 322 K N 1.127 121.444 120.400 -0.138 0.000 2.062 322 K HA 0.057 4.377 4.320 -0.001 0.000 0.205 322 K C 1.671 178.143 176.600 -0.213 0.000 1.051 322 K CA 1.032 57.140 56.287 -0.299 0.000 0.941 322 K CB -0.450 31.676 32.500 -0.622 0.000 0.719 322 K HN 0.078 nan 8.250 nan 0.000 0.440 323 F N 1.018 121.013 119.950 0.075 0.000 2.259 323 F HA -0.020 4.506 4.527 -0.001 0.000 0.298 323 F C 2.279 178.162 175.800 0.139 0.000 1.088 323 F CA 0.903 59.014 58.000 0.185 0.000 1.358 323 F CB -0.091 39.176 39.000 0.445 0.000 1.040 323 F HN 0.056 nan 8.300 nan 0.000 0.505 324 K N 0.720 121.268 120.400 0.246 0.000 2.097 324 K HA -0.250 4.069 4.320 -0.001 0.000 0.206 324 K C 1.617 178.186 176.600 -0.052 0.000 1.049 324 K CA 2.120 58.428 56.287 0.034 0.000 0.933 324 K CB -0.296 32.030 32.500 -0.289 0.000 0.717 324 K HN 0.185 nan 8.250 nan 0.000 0.442 325 D N 0.700 121.074 120.400 -0.043 0.000 2.123 325 D HA -0.160 4.479 4.640 -0.001 0.000 0.200 325 D C 1.980 178.225 176.300 -0.092 0.000 0.976 325 D CA 1.256 55.221 54.000 -0.059 0.000 0.831 325 D CB 0.056 40.817 40.800 -0.065 0.000 0.974 325 D HN 0.237 nan 8.370 nan 0.000 0.469 326 K N -0.938 119.371 120.400 -0.152 0.000 2.032 326 K HA -0.197 4.122 4.320 -0.001 0.000 0.209 326 K C 1.368 177.721 176.600 -0.411 0.000 1.048 326 K CA 1.281 57.380 56.287 -0.312 0.000 0.927 326 K CB -0.263 31.940 32.500 -0.495 0.000 0.712 326 K HN 0.288 nan 8.250 nan 0.000 0.441 327 Y N 0.587 120.657 120.300 -0.383 0.000 2.466 327 Y HA 0.174 4.723 4.550 -0.001 0.000 0.272 327 Y C 0.031 175.661 175.900 -0.450 0.000 1.169 327 Y CA -0.182 57.529 58.100 -0.647 0.000 1.285 327 Y CB 0.705 38.174 38.460 -1.652 0.000 1.078 327 Y HN -0.031 nan 8.280 nan 0.000 0.523 328 K N -0.504 119.803 120.400 -0.155 0.000 3.192 328 K HA -0.211 4.108 4.320 -0.001 0.000 0.278 328 K C -0.493 176.184 176.600 0.128 0.000 1.164 328 K CA 0.456 56.753 56.287 0.018 0.000 0.816 328 K CB -2.604 29.962 32.500 0.110 0.000 1.256 328 K HN 0.407 nan 8.250 nan 0.000 0.497 329 F N 0.157 120.165 119.950 0.098 0.000 2.490 329 F HA 0.151 4.677 4.527 -0.001 0.000 0.336 329 F C 1.718 177.511 175.800 -0.011 0.000 1.178 329 F CA -0.836 57.184 58.000 0.033 0.000 1.301 329 F CB 0.580 39.530 39.000 -0.083 0.000 1.175 329 F HN -0.080 nan 8.300 nan 0.000 0.593 330 V N -0.251 119.809 119.914 0.243 0.000 2.630 330 V HA 0.513 4.632 4.120 -0.001 0.000 0.305 330 V C -0.769 175.445 176.094 0.199 0.000 1.046 330 V CA -0.821 61.580 62.300 0.168 0.000 0.934 330 V CB 1.692 33.608 31.823 0.156 0.000 1.003 330 V HN 0.829 nan 8.190 nan 0.000 0.451 331 E N 2.729 123.055 120.200 0.210 0.000 2.155 331 E HA 0.397 4.747 4.350 -0.001 0.000 0.264 331 E C -0.982 175.735 176.600 0.194 0.000 0.886 331 E CA -0.689 55.904 56.400 0.321 0.000 0.752 331 E CB 1.395 31.348 29.700 0.422 0.000 1.133 331 E HN 0.997 nan 8.360 nan 0.000 0.414 332 D N 2.166 122.659 120.400 0.155 0.000 2.398 332 D HA -0.021 4.619 4.640 -0.001 0.000 0.247 332 D C 0.152 176.500 176.300 0.080 0.000 1.227 332 D CA -0.535 53.524 54.000 0.098 0.000 0.980 332 D CB 0.868 41.710 40.800 0.071 0.000 1.106 332 D HN 0.243 nan 8.370 nan 0.000 0.493 333 S N -0.800 114.936 115.700 0.059 0.000 3.870 333 S HA 0.102 4.571 4.470 -0.001 0.000 0.198 333 S C 0.140 174.760 174.600 0.033 0.000 1.336 333 S CA -0.337 57.891 58.200 0.047 0.000 1.049 333 S CB -0.530 62.694 63.200 0.040 0.000 1.412 333 S HN 0.491 nan 8.310 nan 0.000 0.448 334 E N -0.153 120.065 120.200 0.030 0.000 2.552 334 E HA 0.155 4.505 4.350 -0.001 0.000 0.189 334 E C 1.090 177.681 176.600 -0.014 0.000 0.970 334 E CA 0.598 57.003 56.400 0.008 0.000 1.571 334 E CB 0.344 30.046 29.700 0.003 0.000 2.223 334 E HN 0.692 nan 8.360 nan 0.000 1.018 335 G N 2.277 111.073 108.800 -0.007 0.000 2.179 335 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.220 335 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.220 335 G C 0.330 175.110 174.900 -0.199 0.000 0.990 335 G CA 0.384 45.436 45.100 -0.081 0.000 0.646 335 G HN 0.049 nan 8.290 nan 0.000 0.517 336 K N 1.163 121.518 120.400 -0.075 0.000 2.379 336 K HA 0.501 4.820 4.320 -0.001 0.000 0.284 336 K C -0.108 176.546 176.600 0.090 0.000 1.044 336 K CA -0.366 55.884 56.287 -0.061 0.000 0.974 336 K CB -0.187 32.306 32.500 -0.011 0.000 0.962 336 K HN 0.304 nan 8.250 nan 0.000 0.474 337 Y N 2.645 122.934 120.300 -0.019 0.000 2.313 337 Y HA 0.254 4.803 4.550 -0.001 0.000 0.332 337 Y C 0.638 176.468 175.900 -0.117 0.000 1.071 337 Y CA -0.767 57.312 58.100 -0.035 0.000 1.169 337 Y CB 1.762 40.191 38.460 -0.051 0.000 1.192 337 Y HN 0.576 nan 8.280 nan 0.000 0.487 338 S N 3.839 119.603 115.700 0.108 0.000 2.599 338 S HA 0.590 5.059 4.470 -0.001 0.000 0.287 338 S C -1.061 173.573 174.600 0.055 0.000 1.105 338 S CA -0.712 57.499 58.200 0.018 0.000 0.899 338 S CB 0.990 64.227 63.200 0.061 0.000 1.100 338 S HN 0.570 nan 8.310 nan 0.000 0.482 339 I N 3.114 123.710 120.570 0.043 0.000 2.297 339 I HA 0.240 4.409 4.170 -0.001 0.000 0.291 339 I C -0.263 175.950 176.117 0.159 0.000 1.033 339 I CA -0.425 60.981 61.300 0.177 0.000 1.253 339 I CB 1.021 39.079 38.000 0.096 0.000 1.396 339 I HN 0.586 nan 8.210 nan 0.000 0.476 340 D N 6.742 127.274 120.400 0.220 0.000 2.352 340 D HA 0.068 4.707 4.640 -0.001 0.000 0.245 340 D C 1.186 177.614 176.300 0.214 0.000 1.224 340 D CA -0.111 53.997 54.000 0.181 0.000 0.879 340 D CB 1.559 42.465 40.800 0.177 0.000 1.057 340 D HN 0.275 nan 8.370 nan 0.000 0.491 341 V N 4.727 124.741 119.914 0.165 0.000 2.277 341 V HA -0.328 3.792 4.120 -0.001 0.000 0.253 341 V C 2.248 178.504 176.094 0.270 0.000 1.067 341 V CA 2.063 64.483 62.300 0.199 0.000 1.047 341 V CB -0.444 31.460 31.823 0.135 0.000 0.649 341 V HN 0.619 nan 8.190 nan 0.000 0.447 342 E N 0.406 120.727 120.200 0.203 0.000 2.031 342 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 342 E C 2.364 179.087 176.600 0.205 0.000 0.994 342 E CA 1.763 58.276 56.400 0.188 0.000 0.800 342 E CB -0.309 29.474 29.700 0.139 0.000 0.752 342 E HN 0.789 nan 8.360 nan 0.000 0.447 343 S N 0.378 116.203 115.700 0.208 0.000 2.423 343 S HA -0.176 4.293 4.470 -0.001 0.000 0.231 343 S C 1.878 176.617 174.600 0.231 0.000 1.014 343 S CA 0.687 59.005 58.200 0.197 0.000 0.965 343 S CB -0.405 62.909 63.200 0.189 0.000 0.785 343 S HN 0.333 nan 8.310 nan 0.000 0.495 344 F N 2.903 122.945 119.950 0.154 0.000 2.113 344 F HA 0.018 4.545 4.527 -0.001 0.000 0.297 344 F C 1.684 177.558 175.800 0.122 0.000 1.103 344 F CA 1.724 59.807 58.000 0.139 0.000 1.248 344 F CB -0.700 38.358 39.000 0.096 0.000 0.999 344 F HN 0.102 nan 8.300 nan 0.000 0.475 345 D N 0.369 120.863 120.400 0.155 0.000 2.149 345 D HA -0.197 4.442 4.640 -0.001 0.000 0.198 345 D C 2.213 178.557 176.300 0.074 0.000 0.990 345 D CA 1.438 55.516 54.000 0.131 0.000 0.839 345 D CB -0.223 40.741 40.800 0.274 0.000 0.948 345 D HN 0.277 nan 8.370 nan 0.000 0.460 346 K N -0.178 120.279 120.400 0.094 0.000 2.002 346 K HA -0.127 4.193 4.320 -0.001 0.000 0.209 346 K C 2.031 178.570 176.600 -0.103 0.000 1.048 346 K CA 0.663 57.010 56.287 0.101 0.000 0.930 346 K CB -0.227 32.362 32.500 0.148 0.000 0.714 346 K HN 0.051 nan 8.250 nan 0.000 0.438 347 L N 0.518 121.673 121.223 -0.113 0.000 2.017 347 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 347 L C 2.170 178.844 176.870 -0.327 0.000 1.073 347 L CA 1.711 56.440 54.840 -0.186 0.000 0.745 347 L CB -0.748 41.275 42.059 -0.060 0.000 0.894 347 L HN 0.259 nan 8.230 nan 0.000 0.432 348 Y N 0.482 120.442 120.300 -0.566 0.000 2.114 348 Y HA -0.277 4.272 4.550 -0.002 0.000 0.284 348 Y C 2.469 178.046 175.900 -0.539 0.000 1.143 348 Y CA 2.213 59.926 58.100 -0.644 0.000 1.135 348 Y CB -0.184 37.740 38.460 -0.894 0.000 0.980 348 Y HN 0.146 nan 8.280 nan 0.000 0.499 349 K N -0.468 119.767 120.400 -0.275 0.000 2.147 349 K HA -0.138 4.182 4.320 -0.001 0.000 0.205 349 K C 2.299 178.456 176.600 -0.738 0.000 1.049 349 K CA 1.359 57.478 56.287 -0.279 0.000 0.936 349 K CB -0.195 32.437 32.500 0.221 0.000 0.722 349 K HN 0.237 nan 8.250 nan 0.000 0.446 350 S N 1.354 116.467 115.700 -0.979 0.000 2.355 350 S HA -0.046 4.423 4.470 -0.001 0.000 0.222 350 S C 1.900 176.170 174.600 -0.551 0.000 1.031 350 S CA 1.010 58.556 58.200 -1.090 0.000 0.993 350 S CB -0.127 62.602 63.200 -0.787 0.000 0.859 350 S HN 0.188 nan 8.310 nan 0.000 0.453 351 L N 0.522 121.474 121.223 -0.450 0.000 2.156 351 L HA -0.007 4.332 4.340 -0.001 0.000 0.208 351 L C 2.322 179.022 176.870 -0.284 0.000 1.095 351 L CA 0.757 55.444 54.840 -0.254 0.000 0.770 351 L CB -0.379 41.475 42.059 -0.340 0.000 0.914 351 L HN 0.315 nan 8.230 nan 0.000 0.439 352 M N -1.724 117.411 119.600 -0.775 0.000 2.466 352 M HA 0.084 4.563 4.480 -0.001 0.000 0.265 352 M C 1.628 177.422 176.300 -0.843 0.000 1.122 352 M CA 1.421 56.112 55.300 -1.016 0.000 1.157 352 M CB -0.284 31.201 32.600 -1.860 0.000 1.352 352 M HN 0.168 nan 8.290 nan 0.000 0.464 353 F N -1.565 118.181 119.950 -0.340 0.000 2.746 353 F HA 0.338 4.865 4.527 -0.001 0.000 0.313 353 F C 2.140 177.849 175.800 -0.150 0.000 1.095 353 F CA -0.100 57.766 58.000 -0.224 0.000 1.224 353 F CB -0.239 38.655 39.000 -0.177 0.000 1.060 353 F HN 0.118 nan 8.300 nan 0.000 0.584 354 G N 0.677 109.383 108.800 -0.156 0.000 2.439 354 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.212 354 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.212 354 G C 0.172 174.905 174.900 -0.278 0.000 1.199 354 G CA 0.016 44.980 45.100 -0.226 0.000 0.807 354 G HN 0.131 nan 8.290 nan 0.000 0.537 355 F N 2.539 122.405 119.950 -0.140 0.000 2.439 355 F HA 0.445 4.971 4.527 -0.001 0.000 0.356 355 F C 0.655 176.368 175.800 -0.145 0.000 1.161 355 F CA -0.186 57.726 58.000 -0.147 0.000 1.151 355 F CB 0.889 39.770 39.000 -0.199 0.000 1.222 355 F HN 0.053 nan 8.300 nan 0.000 0.558 356 T N -1.318 113.246 114.554 0.016 0.000 2.916 356 T HA 0.228 4.577 4.350 -0.001 0.000 0.305 356 T C 0.660 175.293 174.700 -0.112 0.000 1.119 356 T CA -0.873 61.195 62.100 -0.052 0.000 1.008 356 T CB 1.835 70.672 68.868 -0.050 0.000 1.129 356 T HN 0.575 nan 8.240 nan 0.000 0.480 357 E N 1.218 121.334 120.200 -0.140 0.000 2.097 357 E HA -0.203 4.147 4.350 -0.001 0.000 0.196 357 E C 1.543 177.976 176.600 -0.279 0.000 1.000 357 E CA 2.139 58.451 56.400 -0.147 0.000 0.804 357 E CB -0.309 29.387 29.700 -0.007 0.000 0.740 357 E HN 0.793 nan 8.360 nan 0.000 0.454 358 T N 0.988 115.278 114.554 -0.440 0.000 2.708 358 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 358 T C 1.572 176.158 174.700 -0.191 0.000 1.037 358 T CA 1.273 63.143 62.100 -0.384 0.000 1.146 358 T CB -0.243 68.374 68.868 -0.418 0.000 0.865 358 T HN 0.187 nan 8.240 nan 0.000 0.435 359 N N 1.044 119.662 118.700 -0.137 0.000 2.188 359 N HA 0.067 4.806 4.740 -0.001 0.000 0.184 359 N C 1.894 177.384 175.510 -0.033 0.000 1.018 359 N CA 0.813 53.820 53.050 -0.071 0.000 0.858 359 N CB -0.300 38.151 38.487 -0.059 0.000 0.989 359 N HN 0.407 nan 8.380 nan 0.000 0.426 360 I N 0.938 121.478 120.570 -0.051 0.000 2.286 360 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 360 I C 2.347 178.456 176.117 -0.014 0.000 1.104 360 I CA 0.730 62.008 61.300 -0.036 0.000 1.397 360 I CB -0.397 37.514 38.000 -0.148 0.000 1.072 360 I HN 0.023 nan 8.210 nan 0.000 0.417 361 A N 0.507 123.282 122.820 -0.075 0.000 1.883 361 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 361 A C 2.328 179.924 177.584 0.019 0.000 1.186 361 A CA 1.748 53.750 52.037 -0.057 0.000 0.624 361 A CB -0.549 18.367 19.000 -0.139 0.000 0.822 361 A HN 0.347 nan 8.150 nan 0.000 0.444 362 E N 0.135 120.337 120.200 0.005 0.000 2.038 362 E HA -0.225 4.124 4.350 -0.001 0.000 0.195 362 E C 1.925 178.579 176.600 0.090 0.000 1.000 362 E CA 1.659 58.083 56.400 0.040 0.000 0.803 362 E CB -0.465 29.239 29.700 0.007 0.000 0.750 362 E HN 0.651 nan 8.360 nan 0.000 0.448 363 N N -0.652 118.120 118.700 0.121 0.000 2.166 363 N HA -0.175 4.565 4.740 -0.001 0.000 0.186 363 N C 1.252 176.846 175.510 0.139 0.000 1.019 363 N CA 1.056 54.184 53.050 0.131 0.000 0.856 363 N CB -0.208 38.385 38.487 0.177 0.000 0.993 363 N HN 0.112 nan 8.380 nan 0.000 0.426 364 Y N 0.581 120.886 120.300 0.008 0.000 2.490 364 Y HA 0.280 4.829 4.550 -0.001 0.000 0.281 364 Y C 0.149 176.078 175.900 0.048 0.000 1.174 364 Y CA 0.002 58.113 58.100 0.018 0.000 1.295 364 Y CB -0.087 38.380 38.460 0.011 0.000 1.062 364 Y HN -0.072 nan 8.280 nan 0.000 0.522 365 K N 0.575 121.094 120.400 0.198 0.000 3.148 365 K HA -0.211 4.109 4.320 -0.001 0.000 0.267 365 K C -0.765 176.002 176.600 0.279 0.000 0.996 365 K CA 0.485 56.922 56.287 0.249 0.000 0.737 365 K CB -1.953 30.659 32.500 0.186 0.000 1.308 365 K HN 0.316 nan 8.250 nan 0.000 0.470 366 I N 0.529 121.171 120.570 0.120 0.000 2.530 366 I HA 0.226 4.395 4.170 -0.001 0.000 0.297 366 I C 0.245 176.154 176.117 -0.346 0.000 1.011 366 I CA -0.972 60.325 61.300 -0.006 0.000 1.107 366 I CB 1.878 39.917 38.000 0.064 0.000 1.285 366 I HN 0.054 nan 8.210 nan 0.000 0.436 367 K N 3.478 123.531 120.400 -0.578 0.000 2.174 367 K HA 0.529 4.849 4.320 -0.001 0.000 0.275 367 K C -0.560 175.878 176.600 -0.270 0.000 1.015 367 K CA -0.083 55.764 56.287 -0.735 0.000 0.933 367 K CB 1.452 33.405 32.500 -0.912 0.000 1.025 367 K HN 0.694 nan 8.250 nan 0.000 0.463 368 T N 1.376 115.666 114.554 -0.438 0.000 2.812 368 T HA 0.362 4.712 4.350 -0.001 0.000 0.294 368 T C -1.220 172.822 174.700 -1.097 0.000 1.159 368 T CA -0.987 60.656 62.100 -0.761 0.000 1.008 368 T CB 0.751 69.403 68.868 -0.360 0.000 1.289 368 T HN 0.782 nan 8.240 nan 0.000 0.514 369 R N 1.343 121.090 120.500 -1.256 0.000 2.734 369 R HA 0.573 4.912 4.340 -0.001 0.000 0.266 369 R C 1.252 177.460 176.300 -0.154 0.000 1.044 369 R CA 0.285 55.962 56.100 -0.704 0.000 1.128 369 R CB 0.122 30.122 30.300 -0.500 0.000 1.010 369 R HN 0.587 nan 8.270 nan 0.000 0.461 370 A N 1.412 124.187 122.820 -0.075 0.000 1.969 370 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 370 A C 0.991 178.656 177.584 0.134 0.000 1.169 370 A CA 1.476 53.531 52.037 0.031 0.000 0.635 370 A CB -0.137 18.870 19.000 0.011 0.000 0.810 370 A HN 0.825 nan 8.150 nan 0.000 0.445 371 S N -4.431 111.240 115.700 -0.048 0.000 2.567 371 S HA 0.363 4.833 4.470 -0.001 0.000 0.270 371 S C 0.155 174.370 174.600 -0.640 0.000 1.152 371 S CA -0.081 58.017 58.200 -0.170 0.000 0.835 371 S CB 0.077 63.256 63.200 -0.035 0.000 1.115 371 S HN 0.456 nan 8.310 nan 0.000 0.459 372 Y N 2.755 122.474 120.300 -0.968 0.000 2.256 372 Y HA 0.171 4.719 4.550 -0.002 0.000 0.288 372 Y C 0.366 175.781 175.900 -0.808 0.000 1.155 372 Y CA 1.602 59.117 58.100 -0.975 0.000 1.203 372 Y CB -0.020 37.926 38.460 -0.856 0.000 0.980 372 Y HN 0.592 nan 8.280 nan 0.000 0.530 373 F N 1.699 121.462 119.950 -0.311 0.000 2.606 373 F HA 0.261 4.788 4.527 0.001 0.000 0.347 373 F C 0.007 175.536 175.800 -0.451 0.000 1.207 373 F CA -0.200 57.576 58.000 -0.373 0.000 1.306 373 F CB -0.124 38.687 39.000 -0.314 0.000 1.657 373 F HN -0.075 nan 8.300 nan 0.000 0.606 374 S N -1.222 114.281 115.700 -0.329 0.000 2.546 374 S HA 0.384 4.854 4.470 -0.001 0.000 0.272 374 S C -1.083 173.454 174.600 -0.105 0.000 1.140 374 S CA -1.294 56.728 58.200 -0.296 0.000 0.920 374 S CB 1.320 64.351 63.200 -0.282 0.000 1.083 374 S HN 0.155 nan 8.310 nan 0.000 0.476 375 D N 2.530 122.993 120.400 0.105 0.000 2.730 375 D HA 0.173 4.813 4.640 -0.001 0.000 0.225 375 D C 0.238 176.562 176.300 0.040 0.000 1.107 375 D CA 1.085 55.148 54.000 0.106 0.000 0.837 375 D CB 0.296 41.202 40.800 0.177 0.000 1.171 375 D HN 0.670 nan 8.370 nan 0.000 0.498 376 S N 2.671 118.376 115.700 0.008 0.000 2.466 376 S HA 0.355 4.824 4.470 -0.001 0.000 0.313 376 S C 0.399 175.015 174.600 0.027 0.000 1.078 376 S CA -1.046 57.151 58.200 -0.005 0.000 1.115 376 S CB 0.107 63.275 63.200 -0.052 0.000 1.006 376 S HN 0.290 nan 8.310 nan 0.000 0.487 377 L N 1.881 123.128 121.223 0.040 0.000 2.456 377 L HA 0.375 4.714 4.340 -0.001 0.000 0.246 377 L C -2.084 174.799 176.870 0.023 0.000 1.238 377 L CA -2.006 52.853 54.840 0.032 0.000 0.826 377 L CB -0.618 41.452 42.059 0.018 0.000 1.150 377 L HN 0.300 nan 8.230 nan 0.000 0.514 378 P HA 0.178 nan 4.420 nan 0.000 0.275 378 P C -2.457 174.838 177.300 -0.010 0.000 1.228 378 P CA -0.965 62.148 63.100 0.021 0.000 0.786 378 P CB 0.186 31.902 31.700 0.027 0.000 0.927 379 P HA 0.150 nan 4.420 nan 0.000 0.278 379 P C -0.869 176.375 177.300 -0.093 0.000 1.258 379 P CA -0.189 62.886 63.100 -0.041 0.000 0.811 379 P CB 0.910 32.607 31.700 -0.005 0.000 1.063 380 V N -2.371 117.452 119.914 -0.152 0.000 3.158 380 V HA 0.664 4.783 4.120 -0.001 0.000 0.315 380 V C -0.467 175.454 176.094 -0.288 0.000 1.148 380 V CA -1.135 61.042 62.300 -0.204 0.000 1.042 380 V CB 1.870 33.492 31.823 -0.335 0.000 1.101 380 V HN 0.517 nan 8.190 nan 0.000 0.448 381 K N 1.794 121.999 120.400 -0.325 0.000 2.358 381 K HA 0.516 4.836 4.320 -0.001 0.000 0.260 381 K C -1.054 175.337 176.600 -0.348 0.000 0.956 381 K CA -0.827 55.128 56.287 -0.553 0.000 0.834 381 K CB 1.375 33.480 32.500 -0.659 0.000 1.102 381 K HN 0.693 nan 8.250 nan 0.000 0.431 382 I N 5.273 125.646 120.570 -0.329 0.000 2.533 382 I HA -0.025 4.145 4.170 -0.001 0.000 0.284 382 I C 1.400 177.433 176.117 -0.141 0.000 1.109 382 I CA 0.390 61.579 61.300 -0.184 0.000 1.412 382 I CB 0.890 38.856 38.000 -0.057 0.000 1.396 382 I HN 0.773 nan 8.210 nan 0.000 0.543 383 K N 4.104 124.449 120.400 -0.091 0.000 2.001 383 K HA -0.185 4.135 4.320 -0.001 0.000 0.214 383 K C 0.604 177.186 176.600 -0.030 0.000 1.050 383 K CA 1.598 57.847 56.287 -0.064 0.000 0.934 383 K CB -0.027 32.443 32.500 -0.049 0.000 0.718 383 K HN 0.503 nan 8.250 nan 0.000 0.443 384 N N -0.420 118.281 118.700 0.003 0.000 2.747 384 N HA 0.103 4.842 4.740 -0.001 0.000 0.262 384 N C -0.048 175.474 175.510 0.021 0.000 1.261 384 N CA -0.070 52.987 53.050 0.011 0.000 0.809 384 N CB 0.628 39.128 38.487 0.022 0.000 1.450 384 N HN -0.054 nan 8.380 nan 0.000 0.560 385 L N 1.876 123.079 121.223 -0.034 0.000 2.261 385 L HA -0.033 4.306 4.340 -0.001 0.000 0.216 385 L C 1.514 178.396 176.870 0.021 0.000 1.114 385 L CA 1.024 55.797 54.840 -0.111 0.000 0.777 385 L CB -0.037 41.873 42.059 -0.249 0.000 0.910 385 L HN 0.563 nan 8.230 nan 0.000 0.440 386 L N -0.940 120.301 121.223 0.031 0.000 2.599 386 L HA 0.005 4.345 4.340 -0.001 0.000 0.230 386 L C 0.483 177.390 176.870 0.062 0.000 1.141 386 L CA -0.005 54.865 54.840 0.052 0.000 0.877 386 L CB -0.299 41.781 42.059 0.034 0.000 1.009 386 L HN 0.124 nan 8.230 nan 0.000 0.447 387 D N 0.295 120.739 120.400 0.072 0.000 2.396 387 D HA 0.025 4.664 4.640 -0.001 0.000 0.225 387 D C 0.815 177.169 176.300 0.091 0.000 1.121 387 D CA -0.102 53.941 54.000 0.072 0.000 0.853 387 D CB 0.709 41.550 40.800 0.068 0.000 1.043 387 D HN -0.050 nan 8.370 nan 0.000 0.500 388 N N 2.702 121.444 118.700 0.069 0.000 2.519 388 N HA -0.162 4.577 4.740 -0.001 0.000 0.186 388 N C 1.067 176.613 175.510 0.060 0.000 1.062 388 N CA 0.443 53.527 53.050 0.057 0.000 0.910 388 N CB 0.317 38.824 38.487 0.033 0.000 0.958 388 N HN 0.528 nan 8.380 nan 0.000 0.445 389 E N 0.184 120.426 120.200 0.070 0.000 2.285 389 E HA 0.052 4.401 4.350 -0.001 0.000 0.194 389 E C 1.469 178.136 176.600 0.111 0.000 0.997 389 E CA 0.545 56.989 56.400 0.074 0.000 0.845 389 E CB 0.195 29.933 29.700 0.064 0.000 0.782 389 E HN 0.197 nan 8.360 nan 0.000 0.491 390 I N -1.202 119.455 120.570 0.145 0.000 3.718 390 I HA 0.078 4.248 4.170 -0.001 0.000 0.297 390 I C -0.236 176.053 176.117 0.287 0.000 1.220 390 I CA 0.345 61.787 61.300 0.238 0.000 1.381 390 I CB 0.100 38.250 38.000 0.250 0.000 1.238 390 I HN -0.037 nan 8.210 nan 0.000 0.448 391 Y N 1.984 122.281 120.300 -0.005 0.000 2.331 391 Y HA 0.402 4.951 4.550 -0.001 0.000 0.326 391 Y C -0.001 175.840 175.900 -0.098 0.000 1.020 391 Y CA -1.102 56.896 58.100 -0.170 0.000 1.136 391 Y CB 1.261 39.515 38.460 -0.344 0.000 1.157 391 Y HN 0.006 nan 8.280 nan 0.000 0.444 392 T N 2.857 117.157 114.554 -0.424 0.000 2.888 392 T HA 0.401 4.750 4.350 -0.001 0.000 0.284 392 T C 1.145 175.619 174.700 -0.376 0.000 1.017 392 T CA -0.715 61.219 62.100 -0.277 0.000 1.022 392 T CB 1.373 70.151 68.868 -0.150 0.000 1.013 392 T HN 0.694 nan 8.240 nan 0.000 0.465 393 I N 0.767 121.231 120.570 -0.177 0.000 2.423 393 I HA -0.172 3.997 4.170 -0.001 0.000 0.254 393 I C 2.146 178.196 176.117 -0.113 0.000 1.151 393 I CA 1.446 62.678 61.300 -0.113 0.000 1.421 393 I CB -0.153 37.830 38.000 -0.028 0.000 1.079 393 I HN 0.730 nan 8.210 nan 0.000 0.431 394 E N 0.173 120.303 120.200 -0.117 0.000 2.190 394 E HA -0.077 4.272 4.350 -0.001 0.000 0.191 394 E C 1.457 177.997 176.600 -0.101 0.000 0.978 394 E CA 0.721 57.065 56.400 -0.093 0.000 0.839 394 E CB 0.158 29.815 29.700 -0.072 0.000 0.787 394 E HN 0.430 nan 8.360 nan 0.000 0.473 395 E N -0.941 119.175 120.200 -0.139 0.000 2.641 395 E HA 0.250 4.600 4.350 -0.001 0.000 0.224 395 E C 0.738 177.246 176.600 -0.153 0.000 0.951 395 E CA 0.132 56.475 56.400 -0.095 0.000 1.102 395 E CB 1.248 30.922 29.700 -0.044 0.000 1.091 395 E HN 0.210 nan 8.360 nan 0.000 0.507 396 G N 1.574 110.103 108.800 -0.452 0.000 2.561 396 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.289 396 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.289 396 G C 0.474 175.083 174.900 -0.486 0.000 1.169 396 G CA 0.505 45.099 45.100 -0.842 0.000 0.980 396 G HN 0.240 nan 8.290 nan 0.000 0.550 397 F N 1.743 121.788 119.950 0.159 0.000 2.619 397 F HA 0.260 4.787 4.527 -0.001 0.000 0.293 397 F C 1.794 177.691 175.800 0.163 0.000 1.119 397 F CA 0.494 58.659 58.000 0.274 0.000 1.445 397 F CB 0.155 39.406 39.000 0.418 0.000 1.119 397 F HN 0.116 nan 8.300 nan 0.000 0.573 398 N N 2.114 120.986 118.700 0.287 0.000 3.243 398 N HA 0.135 4.874 4.740 -0.001 0.000 0.310 398 N C -0.302 175.278 175.510 0.118 0.000 1.313 398 N CA 0.247 53.418 53.050 0.203 0.000 1.204 398 N CB -0.357 38.260 38.487 0.217 0.000 1.483 398 N HN 0.239 nan 8.380 nan 0.000 0.553 399 I N 0.958 121.595 120.570 0.112 0.000 2.505 399 I HA -0.077 4.092 4.170 -0.001 0.000 0.287 399 I C 1.735 177.887 176.117 0.058 0.000 1.104 399 I CA -0.153 61.185 61.300 0.064 0.000 1.387 399 I CB 0.626 38.666 38.000 0.067 0.000 1.404 399 I HN 0.210 nan 8.210 nan 0.000 0.528 400 S N 2.897 118.618 115.700 0.035 0.000 2.402 400 S HA -0.172 4.298 4.470 -0.001 0.000 0.229 400 S C 1.316 175.932 174.600 0.026 0.000 1.021 400 S CA 0.860 59.077 58.200 0.027 0.000 0.974 400 S CB -0.149 63.058 63.200 0.013 0.000 0.800 400 S HN 0.654 nan 8.310 nan 0.000 0.484 401 D N 2.121 122.535 120.400 0.025 0.000 2.182 401 D HA -0.037 4.602 4.640 -0.001 0.000 0.201 401 D C 1.444 177.763 176.300 0.032 0.000 0.986 401 D CA 1.061 55.075 54.000 0.023 0.000 0.847 401 D CB -0.178 40.634 40.800 0.021 0.000 0.942 401 D HN 0.565 nan 8.370 nan 0.000 0.467 402 K N 0.571 120.998 120.400 0.044 0.000 2.437 402 K HA -0.005 4.314 4.320 -0.001 0.000 0.198 402 K C -0.134 176.498 176.600 0.053 0.000 1.024 402 K CA -0.067 56.252 56.287 0.053 0.000 1.148 402 K CB 0.479 33.023 32.500 0.075 0.000 0.860 402 K HN -0.122 nan 8.250 nan 0.000 0.515 403 D N 0.707 121.133 120.400 0.043 0.000 2.708 403 D HA -0.188 4.451 4.640 -0.001 0.000 0.236 403 D C 0.216 176.546 176.300 0.050 0.000 1.146 403 D CA 0.683 54.705 54.000 0.037 0.000 0.662 403 D CB -0.349 40.470 40.800 0.031 0.000 1.059 403 D HN 0.128 nan 8.370 nan 0.000 0.428 404 M N -0.612 119.028 119.600 0.066 0.000 2.346 404 M HA 0.107 4.586 4.480 -0.001 0.000 0.280 404 M C 1.638 177.992 176.300 0.091 0.000 1.075 404 M CA 0.018 55.373 55.300 0.092 0.000 0.989 404 M CB 0.693 33.373 32.600 0.133 0.000 1.447 404 M HN 0.160 nan 8.290 nan 0.000 0.511 405 E N 1.946 122.180 120.200 0.055 0.000 2.038 405 E HA 0.032 4.381 4.350 -0.001 0.000 0.190 405 E C 0.091 176.679 176.600 -0.020 0.000 0.967 405 E CA 0.614 57.036 56.400 0.037 0.000 0.816 405 E CB 0.255 29.966 29.700 0.018 0.000 0.784 405 E HN 0.294 nan 8.360 nan 0.000 0.456 406 K N 1.926 122.306 120.400 -0.034 0.000 2.477 406 K HA -0.116 4.203 4.320 -0.001 0.000 0.275 406 K C -0.240 176.298 176.600 -0.104 0.000 1.054 406 K CA 0.766 57.007 56.287 -0.076 0.000 1.135 406 K CB -0.074 32.403 32.500 -0.038 0.000 0.854 406 K HN 0.215 nan 8.250 nan 0.000 0.484 407 E N 1.868 121.919 120.200 -0.248 0.000 2.513 407 E HA -0.261 4.089 4.350 -0.001 0.000 0.257 407 E C -0.930 175.587 176.600 -0.138 0.000 1.098 407 E CA 0.614 56.849 56.400 -0.275 0.000 0.752 407 E CB -2.088 27.581 29.700 -0.052 0.000 1.324 407 E HN 0.753 nan 8.360 nan 0.000 0.403 408 Y N -2.737 117.612 120.300 0.081 0.000 3.875 408 Y HA -0.372 4.177 4.550 -0.001 0.000 0.216 408 Y C 1.763 177.754 175.900 0.152 0.000 1.148 408 Y CA 0.981 59.141 58.100 0.101 0.000 1.629 408 Y CB -1.806 36.681 38.460 0.044 0.000 1.506 408 Y HN 0.274 nan 8.280 nan 0.000 0.629 409 R N 0.216 120.831 120.500 0.192 0.000 2.154 409 R HA -0.187 4.152 4.340 -0.001 0.000 0.248 409 R C 2.442 178.807 176.300 0.109 0.000 1.155 409 R CA 1.334 57.515 56.100 0.135 0.000 0.979 409 R CB -0.541 29.810 30.300 0.086 0.000 0.869 409 R HN 0.631 nan 8.270 nan 0.000 0.452 410 G N 0.056 108.945 108.800 0.148 0.000 2.471 410 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 410 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 410 G C 1.078 175.954 174.900 -0.040 0.000 1.125 410 G CA 0.216 45.422 45.100 0.176 0.000 0.775 410 G HN 0.370 nan 8.290 nan 0.000 0.548 411 Q N -0.291 119.372 119.800 -0.228 0.000 2.282 411 Q HA 0.101 4.441 4.340 -0.001 0.000 0.206 411 Q C 0.282 175.699 176.000 -0.971 0.000 0.878 411 Q CA -0.463 54.742 55.803 -0.997 0.000 0.944 411 Q CB 0.382 28.890 28.738 -0.383 0.000 1.100 411 Q HN 0.258 nan 8.270 nan 0.000 0.509 412 N N 1.789 120.223 118.700 -0.442 0.000 2.401 412 N HA 0.008 4.747 4.740 -0.001 0.000 0.255 412 N C 0.450 175.826 175.510 -0.224 0.000 1.110 412 N CA 0.285 52.994 53.050 -0.568 0.000 0.949 412 N CB 0.794 39.051 38.487 -0.382 0.000 1.110 412 N HN 0.080 nan 8.380 nan 0.000 0.490 413 K N 2.557 122.813 120.400 -0.240 0.000 2.113 413 K HA -0.160 4.159 4.320 -0.001 0.000 0.208 413 K C 1.448 178.147 176.600 0.166 0.000 1.047 413 K CA 1.649 57.977 56.287 0.068 0.000 0.928 413 K CB 0.040 32.477 32.500 -0.105 0.000 0.716 413 K HN 0.596 nan 8.250 nan 0.000 0.446 414 A N 0.631 123.449 122.820 -0.005 0.000 2.067 414 A HA 0.013 4.332 4.320 -0.001 0.000 0.217 414 A C 1.929 179.537 177.584 0.039 0.000 1.156 414 A CA 0.785 52.837 52.037 0.025 0.000 0.683 414 A CB -0.154 18.835 19.000 -0.017 0.000 0.808 414 A HN 0.141 nan 8.150 nan 0.000 0.455 415 I N -1.301 119.290 120.570 0.034 0.000 2.729 415 I HA 0.016 4.185 4.170 -0.001 0.000 0.256 415 I C 0.776 176.951 176.117 0.096 0.000 1.115 415 I CA 0.416 61.746 61.300 0.051 0.000 1.446 415 I CB 0.107 38.125 38.000 0.030 0.000 1.176 415 I HN 0.199 nan 8.210 nan 0.000 0.446 416 N N 1.553 120.358 118.700 0.175 0.000 3.170 416 N HA 0.108 4.847 4.740 -0.001 0.000 0.305 416 N C 0.609 176.251 175.510 0.220 0.000 1.499 416 N CA 0.102 53.285 53.050 0.222 0.000 1.110 416 N CB 0.177 38.855 38.487 0.318 0.000 1.390 416 N HN 0.080 nan 8.380 nan 0.000 0.508 417 K N -0.316 120.104 120.400 0.035 0.000 2.365 417 K HA -0.066 4.253 4.320 -0.001 0.000 0.199 417 K C 1.430 177.807 176.600 -0.371 0.000 1.045 417 K CA 0.752 56.865 56.287 -0.290 0.000 0.962 417 K CB 0.274 32.649 32.500 -0.207 0.000 0.759 417 K HN 0.476 nan 8.250 nan 0.000 0.469 418 Q N -0.293 119.421 119.800 -0.143 0.000 2.482 418 Q HA 0.052 4.392 4.340 -0.001 0.000 0.209 418 Q C 1.290 177.241 176.000 -0.082 0.000 0.961 418 Q CA 0.828 56.567 55.803 -0.107 0.000 0.945 418 Q CB 0.239 28.963 28.738 -0.023 0.000 1.012 418 Q HN 0.199 nan 8.270 nan 0.000 0.515 419 A N 0.130 122.899 122.820 -0.085 0.000 2.169 419 A HA 0.280 4.600 4.320 -0.001 0.000 0.210 419 A C 0.389 177.890 177.584 -0.139 0.000 1.168 419 A CA 0.291 52.323 52.037 -0.008 0.000 0.813 419 A CB 0.063 19.138 19.000 0.124 0.000 0.861 419 A HN 0.509 nan 8.150 nan 0.000 0.481 420 Y N -2.913 117.195 120.300 -0.321 0.000 2.705 420 Y HA 0.773 5.322 4.550 -0.001 0.000 0.332 420 Y C -1.092 174.662 175.900 -0.244 0.000 1.221 420 Y CA -1.609 56.267 58.100 -0.373 0.000 1.059 420 Y CB 0.633 38.705 38.460 -0.647 0.000 1.298 420 Y HN 0.026 nan 8.280 nan 0.000 0.459 421 E N 0.879 121.011 120.200 -0.112 0.000 2.288 421 E HA 0.290 4.639 4.350 -0.001 0.000 0.268 421 E C -1.079 175.549 176.600 0.046 0.000 0.885 421 E CA -1.227 55.109 56.400 -0.107 0.000 0.767 421 E CB 2.257 31.899 29.700 -0.096 0.000 1.220 421 E HN 0.497 nan 8.360 nan 0.000 0.427 422 E N 1.148 121.374 120.200 0.044 0.000 2.397 422 E HA 0.296 4.645 4.350 -0.001 0.000 0.254 422 E C -0.095 176.508 176.600 0.005 0.000 1.231 422 E CA -0.061 56.373 56.400 0.057 0.000 0.954 422 E CB 0.900 30.634 29.700 0.057 0.000 1.024 422 E HN 0.382 nan 8.360 nan 0.000 0.481 423 I N 0.447 121.014 120.570 -0.004 0.000 2.562 423 I HA 0.042 4.212 4.170 -0.001 0.000 0.301 423 I C 0.464 176.632 176.117 0.086 0.000 1.003 423 I CA -0.639 60.657 61.300 -0.008 0.000 1.127 423 I CB 1.837 39.750 38.000 -0.145 0.000 1.304 423 I HN 0.245 nan 8.210 nan 0.000 0.446 424 S N 5.597 121.398 115.700 0.169 0.000 2.457 424 S HA 0.047 4.516 4.470 -0.001 0.000 0.294 424 S C 1.291 175.992 174.600 0.169 0.000 1.201 424 S CA -0.374 57.915 58.200 0.147 0.000 1.112 424 S CB 0.110 63.389 63.200 0.133 0.000 1.018 424 S HN 0.492 nan 8.310 nan 0.000 0.511 425 K N 4.192 124.654 120.400 0.104 0.000 2.127 425 K HA -0.186 4.134 4.320 -0.001 0.000 0.208 425 K C 1.604 178.250 176.600 0.077 0.000 1.047 425 K CA 1.756 58.103 56.287 0.101 0.000 0.927 425 K CB -0.277 32.258 32.500 0.059 0.000 0.716 425 K HN 0.764 nan 8.250 nan 0.000 0.450 426 E N -0.183 120.014 120.200 -0.006 0.000 2.339 426 E HA -0.199 4.150 4.350 -0.001 0.000 0.201 426 E C 1.101 177.665 176.600 -0.061 0.000 1.015 426 E CA 1.088 57.434 56.400 -0.090 0.000 0.841 426 E CB -0.209 29.360 29.700 -0.219 0.000 0.754 426 E HN 0.592 nan 8.360 nan 0.000 0.508 427 H N -1.087 118.039 119.070 0.094 0.000 2.594 427 H HA 0.242 4.797 4.556 -0.001 0.000 0.279 427 H C 0.027 175.421 175.328 0.110 0.000 1.042 427 H CA -0.615 55.467 56.048 0.056 0.000 1.177 427 H CB 0.601 30.403 29.762 0.066 0.000 1.524 427 H HN -0.067 nan 8.280 nan 0.000 0.537 428 L N 1.217 122.593 121.223 0.256 0.000 2.322 428 L HA 0.617 4.957 4.340 -0.001 0.000 0.279 428 L C -0.173 176.783 176.870 0.144 0.000 1.036 428 L CA -0.908 54.076 54.840 0.239 0.000 0.807 428 L CB 1.555 43.737 42.059 0.205 0.000 1.226 428 L HN 0.076 nan 8.230 nan 0.000 0.433 429 A N 3.299 126.218 122.820 0.165 0.000 2.356 429 A HA 0.833 5.152 4.320 -0.001 0.000 0.310 429 A C -1.126 176.535 177.584 0.128 0.000 1.075 429 A CA -0.467 51.632 52.037 0.104 0.000 0.746 429 A CB 1.710 20.754 19.000 0.073 0.000 1.221 429 A HN 0.389 nan 8.150 nan 0.000 0.443 430 V N 2.059 122.035 119.914 0.102 0.000 2.733 430 V HA 0.233 4.352 4.120 -0.001 0.000 0.306 430 V C -1.129 175.052 176.094 0.145 0.000 1.084 430 V CA -0.630 61.742 62.300 0.120 0.000 0.905 430 V CB 1.669 33.548 31.823 0.093 0.000 1.010 430 V HN 0.842 nan 8.190 nan 0.000 0.424 431 Y N 4.871 125.183 120.300 0.021 0.000 2.605 431 Y HA 0.339 4.888 4.550 -0.001 0.000 0.336 431 Y C 0.343 176.242 175.900 -0.001 0.000 1.111 431 Y CA 0.079 58.183 58.100 0.005 0.000 1.422 431 Y CB 0.222 38.689 38.460 0.012 0.000 1.193 431 Y HN 0.574 nan 8.280 nan 0.000 0.526 432 K N 6.513 126.727 120.400 -0.311 0.000 2.259 432 K HA 0.526 4.846 4.320 -0.001 0.000 0.249 432 K C -1.323 174.969 176.600 -0.514 0.000 0.942 432 K CA -1.001 55.090 56.287 -0.326 0.000 0.816 432 K CB 1.891 34.296 32.500 -0.159 0.000 1.155 432 K HN 0.432 nan 8.250 nan 0.000 0.428 433 I N 2.544 122.874 120.570 -0.400 0.000 2.362 433 I HA 0.193 4.363 4.170 -0.001 0.000 0.289 433 I C -0.168 175.791 176.117 -0.263 0.000 0.994 433 I CA -0.387 60.697 61.300 -0.360 0.000 1.158 433 I CB 1.372 39.186 38.000 -0.310 0.000 1.315 433 I HN 0.621 nan 8.210 nan 0.000 0.451 434 Q N 6.543 126.195 119.800 -0.247 0.000 2.322 434 Q HA 0.462 4.801 4.340 -0.001 0.000 0.256 434 Q C -0.982 174.865 176.000 -0.255 0.000 0.960 434 Q CA -0.443 55.224 55.803 -0.226 0.000 0.934 434 Q CB 1.128 29.738 28.738 -0.212 0.000 1.200 434 Q HN 0.544 nan 8.270 nan 0.000 0.435 435 M N 3.742 123.205 119.600 -0.228 0.000 2.055 435 M HA 0.325 4.805 4.480 -0.001 0.000 0.347 435 M C -1.133 175.035 176.300 -0.220 0.000 1.123 435 M CA -0.568 54.597 55.300 -0.226 0.000 1.035 435 M CB 0.768 33.274 32.600 -0.157 0.000 1.484 435 M HN 0.572 nan 8.290 nan 0.000 0.428 436 C N 2.936 122.077 119.300 -0.265 0.000 2.341 436 C HA 0.466 4.925 4.460 -0.001 0.000 0.338 436 C C 0.534 175.528 174.990 0.006 0.000 1.257 436 C CA -1.219 57.707 59.018 -0.152 0.000 1.883 436 C CB 0.751 28.361 27.740 -0.217 0.000 2.334 436 C HN 0.738 nan 8.230 nan 0.000 0.524 437 K N 1.292 121.705 120.400 0.021 0.000 2.154 437 K HA 0.309 4.629 4.320 -0.001 0.000 0.264 437 K C 0.455 177.119 176.600 0.107 0.000 1.008 437 K CA 0.106 56.420 56.287 0.045 0.000 0.937 437 K CB 0.761 33.265 32.500 0.007 0.000 1.002 437 K HN 0.811 nan 8.250 nan 0.000 0.469 438 S N 0.675 116.420 115.700 0.075 0.000 3.266 438 S HA 0.181 4.650 4.470 -0.001 0.000 0.209 438 S C 0.278 174.873 174.600 -0.008 0.000 1.409 438 S CA -0.888 57.324 58.200 0.020 0.000 1.179 438 S CB -0.461 62.703 63.200 -0.059 0.000 1.218 438 S HN 0.221 nan 8.310 nan 0.000 0.514 444 I N 0.053 120.604 120.570 -0.031 0.000 2.617 444 I HA 0.453 4.622 4.170 -0.001 0.000 0.269 444 I C -0.924 175.126 176.117 -0.112 0.000 1.315 444 I CA -0.620 60.639 61.300 -0.068 0.000 1.162 444 I CB 0.253 38.207 38.000 -0.077 0.000 1.451 444 I HN 0.661 nan 8.210 nan 0.000 0.454 445 C N 6.702 125.927 119.300 -0.123 0.000 2.405 445 C HA 0.705 5.165 4.460 -0.001 0.000 0.365 445 C C 0.344 175.186 174.990 -0.247 0.000 1.233 445 C CA -0.598 58.316 59.018 -0.174 0.000 2.230 445 C CB 0.421 28.069 27.740 -0.153 0.000 2.443 445 C HN 0.590 nan 8.230 nan 0.000 0.556 446 I N 2.246 122.641 120.570 -0.292 0.000 2.436 446 I HA 0.227 4.396 4.170 -0.001 0.000 0.289 446 I C -0.691 175.307 176.117 -0.199 0.000 1.010 446 I CA -0.121 60.961 61.300 -0.363 0.000 1.098 446 I CB 1.289 38.972 38.000 -0.529 0.000 1.266 446 I HN 0.579 nan 8.210 nan 0.000 0.434 447 D N 6.092 126.419 120.400 -0.122 0.000 2.312 447 D HA 0.316 4.955 4.640 -0.001 0.000 0.252 447 D C -0.513 175.751 176.300 -0.061 0.000 1.150 447 D CA 0.158 54.102 54.000 -0.094 0.000 0.870 447 D CB 2.040 42.806 40.800 -0.056 0.000 1.153 447 D HN 0.034 nan 8.370 nan 0.000 0.457 448 V N 3.307 123.155 119.914 -0.111 0.000 2.531 448 V HA 0.124 4.243 4.120 -0.001 0.000 0.301 448 V C -0.118 175.915 176.094 -0.102 0.000 1.034 448 V CA -1.050 61.196 62.300 -0.090 0.000 0.865 448 V CB 2.179 33.864 31.823 -0.231 0.000 0.995 448 V HN 0.377 nan 8.190 nan 0.000 0.424 449 D N 3.050 123.439 120.400 -0.018 0.000 2.424 449 D HA 0.006 4.646 4.640 -0.001 0.000 0.244 449 D C 1.036 177.335 176.300 -0.001 0.000 1.134 449 D CA 0.246 54.245 54.000 -0.002 0.000 0.881 449 D CB 0.817 41.648 40.800 0.053 0.000 1.191 449 D HN 0.609 nan 8.370 nan 0.000 0.445 450 N N 1.670 120.374 118.700 0.008 0.000 2.513 450 N HA -0.174 4.565 4.740 -0.001 0.000 0.187 450 N C 0.915 176.501 175.510 0.125 0.000 1.056 450 N CA 1.058 54.153 53.050 0.075 0.000 0.907 450 N CB 0.267 38.907 38.487 0.255 0.000 0.954 450 N HN 0.340 nan 8.380 nan 0.000 0.445 451 E N -0.649 119.617 120.200 0.110 0.000 2.230 451 E HA -0.016 4.333 4.350 -0.001 0.000 0.192 451 E C 0.763 177.435 176.600 0.119 0.000 0.987 451 E CA 0.800 57.269 56.400 0.114 0.000 0.841 451 E CB 0.080 29.834 29.700 0.091 0.000 0.783 451 E HN 0.417 nan 8.360 nan 0.000 0.481 452 D N 0.006 120.476 120.400 0.118 0.000 2.363 452 D HA 0.020 4.659 4.640 -0.001 0.000 0.220 452 D C 0.180 176.591 176.300 0.186 0.000 0.994 452 D CA 0.293 54.377 54.000 0.140 0.000 0.890 452 D CB 0.211 41.131 40.800 0.200 0.000 0.906 452 D HN 0.092 nan 8.370 nan 0.000 0.530 453 L N -0.065 121.267 121.223 0.183 0.000 2.475 453 L HA 0.221 4.560 4.340 -0.001 0.000 0.253 453 L C 0.160 177.123 176.870 0.154 0.000 1.198 453 L CA -0.526 54.469 54.840 0.258 0.000 0.814 453 L CB 0.234 42.410 42.059 0.195 0.000 1.134 453 L HN -0.129 nan 8.230 nan 0.000 0.478 454 F N 0.636 120.767 119.950 0.302 0.000 2.424 454 F HA 0.178 4.710 4.527 0.008 0.000 0.356 454 F C 0.161 176.073 175.800 0.188 0.000 1.110 454 F CA -0.059 58.077 58.000 0.226 0.000 1.161 454 F CB 0.439 39.557 39.000 0.196 0.000 1.115 454 F HN 0.121 nan 8.300 nan 0.000 0.507 455 F N 5.891 125.981 119.950 0.232 0.000 2.404 455 F HA 0.586 5.112 4.527 -0.001 0.000 0.358 455 F C -0.645 175.211 175.800 0.093 0.000 1.120 455 F CA -0.698 57.394 58.000 0.154 0.000 1.144 455 F CB 0.132 39.231 39.000 0.165 0.000 1.133 455 F HN 0.236 nan 8.300 nan 0.000 0.495 456 I N 6.633 126.933 120.570 -0.450 0.000 2.439 456 I HA 0.397 4.566 4.170 -0.001 0.000 0.285 456 I C -0.125 175.738 176.117 -0.423 0.000 1.021 456 I CA -1.011 60.128 61.300 -0.267 0.000 1.091 456 I CB 1.600 39.511 38.000 -0.149 0.000 1.242 456 I HN 0.704 nan 8.210 nan 0.000 0.439 457 A N 4.290 126.995 122.820 -0.191 0.000 2.511 457 A HA 0.131 4.450 4.320 -0.001 0.000 0.242 457 A C -0.082 177.512 177.584 0.017 0.000 1.069 457 A CA 0.036 52.029 52.037 -0.072 0.000 0.763 457 A CB 0.170 19.292 19.000 0.203 0.000 1.001 457 A HN 0.729 nan 8.150 nan 0.000 0.498 458 D N 1.062 121.423 120.400 -0.065 0.000 2.344 458 D HA 0.067 4.707 4.640 -0.001 0.000 0.244 458 D C 1.194 177.568 176.300 0.122 0.000 1.134 458 D CA -0.113 53.887 54.000 -0.001 0.000 0.930 458 D CB 0.835 41.598 40.800 -0.062 0.000 1.175 458 D HN 0.543 nan 8.370 nan 0.000 0.437 459 K N 1.165 121.677 120.400 0.186 0.000 2.152 459 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 459 K C 1.219 177.937 176.600 0.195 0.000 1.048 459 K CA 0.913 57.379 56.287 0.298 0.000 0.933 459 K CB 0.048 32.663 32.500 0.191 0.000 0.721 459 K HN 0.353 nan 8.250 nan 0.000 0.447 460 N N 0.479 119.204 118.700 0.042 0.000 2.430 460 N HA -0.099 4.641 4.740 -0.001 0.000 0.186 460 N C 1.324 176.752 175.510 -0.136 0.000 1.032 460 N CA 0.944 53.981 53.050 -0.022 0.000 0.893 460 N CB -0.082 38.387 38.487 -0.030 0.000 0.957 460 N HN 0.123 nan 8.380 nan 0.000 0.442 461 S N -0.066 115.421 115.700 -0.357 0.000 2.453 461 S HA 0.042 4.511 4.470 -0.001 0.000 0.231 461 S C 0.384 174.533 174.600 -0.752 0.000 1.005 461 S CA 0.551 58.365 58.200 -0.643 0.000 0.949 461 S CB -0.036 62.564 63.200 -1.000 0.000 0.774 461 S HN 0.193 nan 8.310 nan 0.000 0.510 462 F N 0.906 120.880 119.950 0.040 0.000 2.432 462 F HA 0.473 4.999 4.527 -0.001 0.000 0.329 462 F C 0.673 176.494 175.800 0.035 0.000 1.076 462 F CA -1.121 56.905 58.000 0.042 0.000 1.018 462 F CB 0.935 39.960 39.000 0.042 0.000 1.201 462 F HN -0.240 nan 8.300 nan 0.000 0.489 463 S N 0.829 116.656 115.700 0.212 0.000 2.455 463 S HA 0.014 4.484 4.470 -0.001 0.000 0.278 463 S C 0.642 175.305 174.600 0.106 0.000 1.216 463 S CA -0.563 57.712 58.200 0.126 0.000 1.055 463 S CB -0.038 63.227 63.200 0.108 0.000 0.939 463 S HN 0.738 nan 8.310 nan 0.000 0.494 464 D N 3.609 124.056 120.400 0.077 0.000 2.363 464 D HA -0.019 4.620 4.640 -0.001 0.000 0.226 464 D C 0.833 177.152 176.300 0.032 0.000 1.020 464 D CA 0.372 54.404 54.000 0.052 0.000 0.892 464 D CB 0.029 40.858 40.800 0.047 0.000 0.900 464 D HN 0.535 nan 8.370 nan 0.000 0.531 465 D N 0.083 120.505 120.400 0.036 0.000 2.280 465 D HA -0.176 4.464 4.640 -0.001 0.000 0.206 465 D C 1.805 178.109 176.300 0.006 0.000 0.988 465 D CA 0.538 54.552 54.000 0.023 0.000 0.886 465 D CB -0.113 40.705 40.800 0.030 0.000 0.914 465 D HN 0.384 nan 8.370 nan 0.000 0.473 466 L N 0.426 121.646 121.223 -0.005 0.000 2.362 466 L HA -0.131 4.209 4.340 -0.001 0.000 0.219 466 L C 2.111 178.957 176.870 -0.041 0.000 1.134 466 L CA 0.947 55.763 54.840 -0.041 0.000 0.807 466 L CB -0.184 41.831 42.059 -0.073 0.000 0.927 466 L HN 0.075 nan 8.230 nan 0.000 0.447 467 S N -1.927 113.764 115.700 -0.014 0.000 2.527 467 S HA 0.011 4.480 4.470 -0.001 0.000 0.222 467 S C 0.842 175.454 174.600 0.021 0.000 0.985 467 S CA -0.138 58.062 58.200 0.000 0.000 0.921 467 S CB -0.124 63.080 63.200 0.006 0.000 0.772 467 S HN 0.258 nan 8.310 nan 0.000 0.529 468 K N 2.152 122.563 120.400 0.019 0.000 2.258 468 K HA 0.236 4.555 4.320 -0.001 0.000 0.264 468 K C -0.170 176.457 176.600 0.045 0.000 1.007 468 K CA -0.443 55.859 56.287 0.025 0.000 0.941 468 K CB 0.230 32.737 32.500 0.013 0.000 0.966 468 K HN 0.213 nan 8.250 nan 0.000 0.480 469 N N 2.106 120.835 118.700 0.049 0.000 2.467 469 N HA 0.078 4.818 4.740 -0.001 0.000 0.262 469 N C -0.480 175.040 175.510 0.016 0.000 1.234 469 N CA 0.107 53.201 53.050 0.074 0.000 0.952 469 N CB 0.788 39.314 38.487 0.064 0.000 1.158 469 N HN 0.405 nan 8.380 nan 0.000 0.463 470 E N 1.324 121.514 120.200 -0.016 0.000 2.191 470 E HA 0.237 4.587 4.350 -0.001 0.000 0.263 470 E C -0.451 176.007 176.600 -0.236 0.000 0.881 470 E CA -0.584 55.686 56.400 -0.217 0.000 0.757 470 E CB 1.827 31.194 29.700 -0.556 0.000 1.147 470 E HN 0.187 nan 8.360 nan 0.000 0.414 471 R N 3.146 123.543 120.500 -0.171 0.000 2.216 471 R HA 0.339 4.679 4.340 -0.001 0.000 0.332 471 R C 0.025 176.224 176.300 -0.167 0.000 1.056 471 R CA -0.497 55.530 56.100 -0.123 0.000 0.901 471 R CB 0.453 30.712 30.300 -0.068 0.000 1.039 471 R HN 0.403 nan 8.270 nan 0.000 0.456 472 I N 3.338 123.812 120.570 -0.160 0.000 2.359 472 I HA 0.318 4.487 4.170 -0.001 0.000 0.294 472 I C 0.664 176.768 176.117 -0.022 0.000 0.987 472 I CA -0.266 60.946 61.300 -0.146 0.000 1.225 472 I CB 1.343 39.249 38.000 -0.156 0.000 1.366 472 I HN 0.466 nan 8.210 nan 0.000 0.466 473 E N 3.674 123.872 120.200 -0.003 0.000 2.440 473 E HA 0.234 4.583 4.350 -0.001 0.000 0.263 473 E C -0.179 176.425 176.600 0.006 0.000 0.938 473 E CA -0.576 55.911 56.400 0.146 0.000 0.831 473 E CB 1.327 31.110 29.700 0.137 0.000 1.456 473 E HN 0.572 nan 8.360 nan 0.000 0.427 474 Y N -0.581 119.633 120.300 -0.143 0.000 2.571 474 Y HA 0.102 4.651 4.550 -0.001 0.000 0.294 474 Y C 1.149 176.974 175.900 -0.125 0.000 1.141 474 Y CA 1.154 59.081 58.100 -0.287 0.000 1.308 474 Y CB -0.200 37.889 38.460 -0.618 0.000 1.002 474 Y HN 0.362 nan 8.280 nan 0.000 0.551 475 N N -0.274 117.858 118.700 -0.948 0.000 2.387 475 N HA -0.013 4.726 4.740 -0.001 0.000 0.176 475 N C -0.067 175.237 175.510 -0.344 0.000 1.022 475 N CA 0.440 53.021 53.050 -0.782 0.000 0.883 475 N CB 0.122 38.149 38.487 -0.767 0.000 1.019 475 N HN 0.126 nan 8.380 nan 0.000 0.435 476 T N 2.285 116.694 114.554 -0.242 0.000 2.781 476 T HA -0.146 4.203 4.350 -0.001 0.000 0.270 476 T C 0.050 174.663 174.700 -0.145 0.000 1.022 476 T CA 0.856 62.856 62.100 -0.168 0.000 1.144 476 T CB 0.198 68.974 68.868 -0.153 0.000 1.039 476 T HN 0.332 nan 8.240 nan 0.000 0.494 477 Q N 0.999 120.722 119.800 -0.129 0.000 2.587 477 Q HA 0.644 4.983 4.340 -0.001 0.000 0.293 477 Q C -0.723 175.206 176.000 -0.119 0.000 1.083 477 Q CA -1.218 54.523 55.803 -0.103 0.000 0.792 477 Q CB 1.448 30.135 28.738 -0.085 0.000 1.484 477 Q HN 0.568 nan 8.270 nan 0.000 0.446 478 S N 1.612 117.250 115.700 -0.104 0.000 2.505 478 S HA 0.344 4.813 4.470 -0.001 0.000 0.276 478 S C -0.549 173.886 174.600 -0.274 0.000 1.274 478 S CA -0.718 57.370 58.200 -0.188 0.000 1.053 478 S CB -0.003 63.157 63.200 -0.067 0.000 0.919 478 S HN 0.550 nan 8.310 nan 0.000 0.490 479 N N 2.622 121.043 118.700 -0.464 0.000 2.446 479 N HA 0.438 5.177 4.740 -0.001 0.000 0.265 479 N C -1.544 173.628 175.510 -0.564 0.000 0.975 479 N CA -0.275 52.536 53.050 -0.398 0.000 0.928 479 N CB 0.929 39.251 38.487 -0.275 0.000 1.160 479 N HN 0.723 nan 8.380 nan 0.000 0.495 480 Y N 0.731 120.983 120.300 -0.079 0.000 2.504 480 Y HA 0.531 5.080 4.550 -0.002 0.000 0.344 480 Y C -0.208 175.639 175.900 -0.090 0.000 1.023 480 Y CA -0.934 57.129 58.100 -0.063 0.000 1.020 480 Y CB 2.386 40.820 38.460 -0.044 0.000 1.282 480 Y HN 0.238 nan 8.280 nan 0.000 0.454 481 I N 2.464 123.099 120.570 0.109 0.000 2.439 481 I HA 0.214 4.383 4.170 -0.001 0.000 0.283 481 I C -0.737 175.372 176.117 -0.014 0.000 1.023 481 I CA -0.768 60.567 61.300 0.059 0.000 1.100 481 I CB 1.767 39.828 38.000 0.102 0.000 1.238 481 I HN 0.555 nan 8.210 nan 0.000 0.445 482 E N 5.070 125.238 120.200 -0.053 0.000 2.220 482 E HA 0.077 4.426 4.350 -0.001 0.000 0.272 482 E C -0.040 176.236 176.600 -0.540 0.000 1.099 482 E CA 0.096 56.383 56.400 -0.189 0.000 0.907 482 E CB 0.229 29.871 29.700 -0.096 0.000 1.022 482 E HN 0.289 nan 8.360 nan 0.000 0.428 483 N N 4.074 122.370 118.700 -0.673 0.000 3.115 483 N HA 0.104 4.843 4.740 -0.001 0.000 0.305 483 N C -1.333 173.699 175.510 -0.797 0.000 1.305 483 N CA 0.149 52.468 53.050 -1.219 0.000 1.154 483 N CB -0.201 37.940 38.487 -0.578 0.000 1.454 483 N HN 0.565 nan 8.380 nan 0.000 0.551 484 D N -1.636 118.410 120.400 -0.590 0.000 2.710 484 D HA 0.421 5.061 4.640 -0.001 0.000 0.276 484 D C -1.643 174.709 176.300 0.086 0.000 1.267 484 D CA -0.821 53.082 54.000 -0.162 0.000 0.772 484 D CB 0.756 41.474 40.800 -0.136 0.000 1.299 484 D HN -0.090 nan 8.370 nan 0.000 0.421 485 F N 0.777 120.697 119.950 -0.050 0.000 2.881 485 F HA 0.397 4.923 4.527 -0.002 0.000 0.348 485 F C -2.482 173.278 175.800 -0.066 0.000 1.240 485 F CA -1.496 56.486 58.000 -0.030 0.000 1.130 485 F CB 1.844 40.848 39.000 0.008 0.000 1.417 485 F HN 0.194 nan 8.300 nan 0.000 0.585 486 P HA -0.074 nan 4.420 nan 0.000 0.251 486 P C 0.942 178.082 177.300 -0.267 0.000 1.154 486 P CA 0.397 63.288 63.100 -0.349 0.000 0.805 486 P CB 0.595 32.059 31.700 -0.395 0.000 0.759 487 I N 4.285 124.795 120.570 -0.100 0.000 2.454 487 I HA -0.220 3.949 4.170 -0.001 0.000 0.254 487 I C 1.970 178.049 176.117 -0.065 0.000 1.156 487 I CA 1.334 62.606 61.300 -0.046 0.000 1.433 487 I CB -0.652 37.323 38.000 -0.041 0.000 1.082 487 I HN 0.316 nan 8.210 nan 0.000 0.432 488 N N 0.098 118.745 118.700 -0.088 0.000 2.120 488 N HA -0.229 4.510 4.740 -0.001 0.000 0.188 488 N C 1.611 177.077 175.510 -0.074 0.000 1.024 488 N CA 1.458 54.463 53.050 -0.074 0.000 0.852 488 N CB -0.065 38.376 38.487 -0.077 0.000 1.003 488 N HN 0.571 nan 8.380 nan 0.000 0.424 489 E N 0.673 120.802 120.200 -0.118 0.000 2.299 489 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 489 E C 1.954 178.546 176.600 -0.014 0.000 0.998 489 E CA 0.411 56.756 56.400 -0.093 0.000 0.851 489 E CB -0.145 29.459 29.700 -0.159 0.000 0.795 489 E HN 0.231 nan 8.360 nan 0.000 0.492 490 L N 1.425 122.672 121.223 0.039 0.000 2.131 490 L HA -0.044 4.295 4.340 -0.001 0.000 0.210 490 L C 2.066 178.950 176.870 0.022 0.000 1.092 490 L CA 1.472 56.392 54.840 0.134 0.000 0.759 490 L CB -0.169 41.969 42.059 0.131 0.000 0.903 490 L HN 0.143 nan 8.230 nan 0.000 0.435 491 I N -1.111 119.455 120.570 -0.006 0.000 2.617 491 I HA -0.200 3.969 4.170 -0.001 0.000 0.256 491 I C 1.528 177.648 176.117 0.006 0.000 1.167 491 I CA 0.846 62.145 61.300 -0.003 0.000 1.469 491 I CB 0.028 38.020 38.000 -0.013 0.000 1.098 491 I HN 0.218 nan 8.210 nan 0.000 0.436 492 L N -0.323 120.900 121.223 0.001 0.000 2.700 492 L HA 0.145 4.485 4.340 -0.001 0.000 0.234 492 L C 0.046 176.924 176.870 0.013 0.000 1.156 492 L CA -0.162 54.679 54.840 0.002 0.000 0.946 492 L CB -0.188 41.865 42.059 -0.011 0.000 1.216 492 L HN 0.025 nan 8.230 nan 0.000 0.493 493 D N 0.154 120.571 120.400 0.028 0.000 2.359 493 D HA 0.047 4.686 4.640 -0.001 0.000 0.250 493 D C 1.220 177.544 176.300 0.041 0.000 1.264 493 D CA 0.223 54.249 54.000 0.044 0.000 0.911 493 D CB 1.051 41.897 40.800 0.076 0.000 1.056 493 D HN -0.026 nan 8.370 nan 0.000 0.499 494 T N 2.316 116.891 114.554 0.034 0.000 2.588 494 T HA -0.160 4.189 4.350 -0.001 0.000 0.261 494 T C 0.714 175.436 174.700 0.036 0.000 1.069 494 T CA 0.823 62.941 62.100 0.031 0.000 1.172 494 T CB -0.106 68.778 68.868 0.026 0.000 0.863 494 T HN 0.484 nan 8.240 nan 0.000 0.408 495 D N 1.328 121.751 120.400 0.039 0.000 2.826 495 D HA 0.117 4.756 4.640 -0.001 0.000 0.247 495 D C 0.861 177.189 176.300 0.047 0.000 1.238 495 D CA 0.075 54.100 54.000 0.042 0.000 0.894 495 D CB 0.238 41.065 40.800 0.045 0.000 1.100 495 D HN 0.136 nan 8.370 nan 0.000 0.453 496 L N -0.066 121.185 121.223 0.046 0.000 2.624 496 L HA 0.141 4.480 4.340 -0.001 0.000 0.222 496 L C 0.511 177.407 176.870 0.043 0.000 1.046 496 L CA 0.211 55.079 54.840 0.046 0.000 0.872 496 L CB 0.463 42.552 42.059 0.051 0.000 1.190 496 L HN -0.129 nan 8.230 nan 0.000 0.487 497 I N 0.874 121.469 120.570 0.041 0.000 2.872 497 I HA -0.046 4.123 4.170 -0.001 0.000 0.291 497 I C 0.950 177.079 176.117 0.021 0.000 1.216 497 I CA 0.448 61.769 61.300 0.035 0.000 1.424 497 I CB 0.147 38.165 38.000 0.030 0.000 1.351 497 I HN 0.157 nan 8.210 nan 0.000 0.592 498 S N 5.099 120.806 115.700 0.012 0.000 2.525 498 S HA 0.031 4.500 4.470 -0.001 0.000 0.285 498 S C 0.785 175.378 174.600 -0.012 0.000 1.283 498 S CA 0.048 58.243 58.200 -0.008 0.000 1.072 498 S CB -0.021 63.165 63.200 -0.023 0.000 0.867 498 S HN 0.571 nan 8.310 nan 0.000 0.492 499 K N 4.051 124.441 120.400 -0.017 0.000 2.478 499 K HA 0.301 4.621 4.320 -0.001 0.000 0.205 499 K C -0.708 175.876 176.600 -0.027 0.000 1.033 499 K CA -0.220 56.059 56.287 -0.013 0.000 1.091 499 K CB 0.410 32.909 32.500 -0.000 0.000 0.844 499 K HN 0.468 nan 8.250 nan 0.000 0.507 500 I N 2.214 122.755 120.570 -0.049 0.000 2.533 500 I HA 0.082 4.251 4.170 -0.001 0.000 0.290 500 I C 0.276 176.339 176.117 -0.090 0.000 1.056 500 I CA -1.239 60.019 61.300 -0.071 0.000 1.057 500 I CB 1.728 39.670 38.000 -0.097 0.000 1.240 500 I HN 0.212 nan 8.210 nan 0.000 0.423 501 E N 5.094 125.243 120.200 -0.085 0.000 2.436 501 E HA 0.129 4.479 4.350 -0.001 0.000 0.262 501 E C -0.880 175.641 176.600 -0.131 0.000 1.063 501 E CA -0.518 55.830 56.400 -0.087 0.000 0.944 501 E CB 1.001 30.660 29.700 -0.067 0.000 0.950 501 E HN 0.310 nan 8.360 nan 0.000 0.444 502 L N 3.892 125.049 121.223 -0.109 0.000 2.313 502 L HA 0.287 4.627 4.340 -0.001 0.000 0.282 502 L C -2.163 174.639 176.870 -0.115 0.000 1.092 502 L CA -1.591 53.174 54.840 -0.124 0.000 0.831 502 L CB 0.347 42.365 42.059 -0.069 0.000 1.159 502 L HN 0.586 nan 8.230 nan 0.000 0.442 503 P HA 0.075 nan 4.420 nan 0.000 0.271 503 P C -0.752 176.574 177.300 0.045 0.000 1.244 503 P CA -0.355 62.675 63.100 -0.117 0.000 0.793 503 P CB 0.438 31.946 31.700 -0.319 0.000 0.984 504 S N 0.320 116.072 115.700 0.087 0.000 2.563 504 S HA -0.055 4.414 4.470 -0.001 0.000 0.294 504 S C 1.206 175.897 174.600 0.152 0.000 1.279 504 S CA 0.003 58.259 58.200 0.093 0.000 1.069 504 S CB -0.123 63.118 63.200 0.068 0.000 0.828 504 S HN 0.537 nan 8.310 nan 0.000 0.497 505 E N 3.557 123.819 120.200 0.103 0.000 2.435 505 E HA -0.007 4.343 4.350 -0.001 0.000 0.195 505 E C -0.099 176.394 176.600 -0.177 0.000 1.029 505 E CA 0.074 56.533 56.400 0.099 0.000 0.865 505 E CB -0.097 29.696 29.700 0.155 0.000 0.833 505 E HN 0.514 nan 8.360 nan 0.000 0.510 506 N N 1.497 120.112 118.700 -0.143 0.000 2.497 506 N HA 0.105 4.844 4.740 -0.001 0.000 0.271 506 N C -0.508 174.793 175.510 -0.348 0.000 1.142 506 N CA 0.417 53.343 53.050 -0.208 0.000 0.965 506 N CB 1.747 40.178 38.487 -0.092 0.000 1.077 506 N HN 0.111 nan 8.380 nan 0.000 0.462 507 T N 0.016 114.317 114.554 -0.423 0.000 2.681 507 T HA 0.183 4.533 4.350 -0.001 0.000 0.296 507 T C -1.144 173.420 174.700 -0.227 0.000 1.157 507 T CA -0.622 61.232 62.100 -0.409 0.000 1.025 507 T CB 0.915 69.284 68.868 -0.832 0.000 1.441 507 T HN 0.214 nan 8.240 nan 0.000 0.504 508 E N 1.376 121.488 120.200 -0.146 0.000 2.392 508 E HA 0.305 4.654 4.350 -0.001 0.000 0.259 508 E C -0.000 176.545 176.600 -0.092 0.000 1.108 508 E CA -0.014 56.332 56.400 -0.090 0.000 0.916 508 E CB 0.989 30.657 29.700 -0.054 0.000 0.989 508 E HN 0.527 nan 8.360 nan 0.000 0.432 509 S N 0.578 116.238 115.700 -0.066 0.000 2.568 509 S HA 0.078 4.548 4.470 -0.001 0.000 0.282 509 S C -0.157 174.395 174.600 -0.079 0.000 1.338 509 S CA -0.506 57.664 58.200 -0.051 0.000 1.045 509 S CB 0.173 63.363 63.200 -0.016 0.000 0.873 509 S HN 0.320 nan 8.310 nan 0.000 0.516 510 L N 4.923 126.090 121.223 -0.093 0.000 2.319 510 L HA 0.408 4.748 4.340 -0.001 0.000 0.280 510 L C 1.192 177.768 176.870 -0.491 0.000 1.099 510 L CA 0.596 55.299 54.840 -0.228 0.000 0.828 510 L CB 1.038 42.992 42.059 -0.176 0.000 1.150 510 L HN 0.860 nan 8.230 nan 0.000 0.442 511 T N -1.012 113.227 114.554 -0.525 0.000 2.959 511 T HA 0.181 4.530 4.350 -0.001 0.000 0.254 511 T C 0.370 174.665 174.700 -0.675 0.000 1.003 511 T CA -0.009 61.751 62.100 -0.567 0.000 0.950 511 T CB -0.128 68.613 68.868 -0.212 0.000 1.090 511 T HN 0.516 nan 8.240 nan 0.000 0.503 512 D N 1.036 121.097 120.400 -0.566 0.000 2.499 512 D HA 0.274 4.913 4.640 -0.001 0.000 0.225 512 D C -0.461 175.628 176.300 -0.353 0.000 1.124 512 D CA -1.320 52.478 54.000 -0.336 0.000 0.938 512 D CB -0.307 40.386 40.800 -0.179 0.000 1.014 512 D HN 0.311 nan 8.370 nan 0.000 0.517 513 F N 1.465 121.413 119.950 -0.004 0.000 2.725 513 F HA 0.102 4.629 4.527 -0.001 0.000 0.303 513 F C 1.221 177.019 175.800 -0.003 0.000 1.167 513 F CA -0.633 57.365 58.000 -0.003 0.000 1.403 513 F CB -0.520 38.476 39.000 -0.006 0.000 1.077 513 F HN 0.184 nan 8.300 nan 0.000 0.537 514 N N 1.669 120.424 118.700 0.092 0.000 2.411 514 N HA 0.203 4.943 4.740 -0.001 0.000 0.265 514 N C -0.807 174.731 175.510 0.047 0.000 1.266 514 N CA 0.366 53.447 53.050 0.052 0.000 0.889 514 N CB 0.643 39.135 38.487 0.008 0.000 1.069 514 N HN 0.055 nan 8.380 nan 0.000 0.476 515 V N 2.711 122.648 119.914 0.037 0.000 3.177 515 V HA 0.238 4.357 4.120 -0.001 0.000 0.287 515 V C -1.863 174.209 176.094 -0.037 0.000 1.465 515 V CA -0.992 61.326 62.300 0.030 0.000 1.020 515 V CB 2.140 34.041 31.823 0.129 0.000 1.152 515 V HN 0.675 nan 8.190 nan 0.000 0.448 516 D N 3.631 123.977 120.400 -0.089 0.000 2.347 516 D HA 0.393 5.032 4.640 -0.001 0.000 0.235 516 D C -0.338 175.780 176.300 -0.303 0.000 1.149 516 D CA 0.151 54.054 54.000 -0.161 0.000 0.850 516 D CB 1.848 42.548 40.800 -0.166 0.000 1.061 516 D HN 0.350 nan 8.370 nan 0.000 0.487 517 V N 4.982 124.683 119.914 -0.355 0.000 2.364 517 V HA 0.194 4.313 4.120 -0.001 0.000 0.272 517 V C -1.895 173.924 176.094 -0.457 0.000 1.036 517 V CA -1.516 60.427 62.300 -0.596 0.000 0.880 517 V CB 1.031 32.595 31.823 -0.432 0.000 0.991 517 V HN 0.330 nan 8.190 nan 0.000 0.460 518 P HA 0.122 nan 4.420 nan 0.000 0.264 518 P C -0.725 176.189 177.300 -0.643 0.000 1.193 518 P CA 0.153 62.942 63.100 -0.519 0.000 0.763 518 P CB 0.429 31.843 31.700 -0.477 0.000 0.810 519 V N 4.809 124.359 119.914 -0.606 0.000 2.459 519 V HA 0.373 4.493 4.120 -0.001 0.000 0.295 519 V C -0.382 175.368 176.094 -0.573 0.000 1.029 519 V CA -0.511 61.509 62.300 -0.466 0.000 0.874 519 V CB 0.590 32.275 31.823 -0.230 0.000 0.985 519 V HN 0.413 nan 8.190 nan 0.000 0.438 520 Y N 2.394 122.581 120.300 -0.189 0.000 2.567 520 Y HA 0.758 5.307 4.550 -0.001 0.000 0.333 520 Y C 0.291 176.270 175.900 0.131 0.000 1.106 520 Y CA -0.950 57.114 58.100 -0.061 0.000 1.157 520 Y CB 1.933 40.230 38.460 -0.272 0.000 1.277 520 Y HN 0.793 nan 8.280 nan 0.000 0.490 521 E N -0.561 119.899 120.200 0.434 0.000 2.363 521 E HA 0.422 4.771 4.350 -0.001 0.000 0.281 521 E C -1.910 174.697 176.600 0.012 0.000 0.953 521 E CA -1.309 55.233 56.400 0.236 0.000 0.778 521 E CB 1.581 31.335 29.700 0.090 0.000 1.220 521 E HN 0.392 nan 8.360 nan 0.000 0.431 522 K N 1.372 121.575 120.400 -0.330 0.000 2.219 522 K HA 0.117 4.436 4.320 -0.001 0.000 0.258 522 K C -0.208 176.240 176.600 -0.254 0.000 1.008 522 K CA -0.072 55.849 56.287 -0.609 0.000 0.928 522 K CB 0.694 32.824 32.500 -0.618 0.000 0.983 522 K HN 0.637 nan 8.250 nan 0.000 0.484 523 Q N 0.855 120.523 119.800 -0.219 0.000 2.399 523 Q HA 0.473 4.813 4.340 -0.001 0.000 0.276 523 Q C -2.776 173.173 176.000 -0.084 0.000 1.098 523 Q CA -2.586 53.148 55.803 -0.116 0.000 0.827 523 Q CB 1.410 30.086 28.738 -0.103 0.000 1.386 523 Q HN 0.158 nan 8.270 nan 0.000 0.443 524 P HA -0.111 nan 4.420 nan 0.000 0.261 524 P C -0.363 177.001 177.300 0.108 0.000 1.165 524 P CA 0.716 63.831 63.100 0.024 0.000 0.759 524 P CB 0.564 32.291 31.700 0.046 0.000 0.772 525 A N 4.374 127.245 122.820 0.086 0.000 2.169 525 A HA 0.129 4.448 4.320 -0.001 0.000 0.212 525 A C 0.755 178.424 177.584 0.142 0.000 1.153 525 A CA 0.866 53.000 52.037 0.162 0.000 0.756 525 A CB -0.374 18.659 19.000 0.056 0.000 0.813 525 A HN 0.518 nan 8.150 nan 0.000 0.471 526 I N -0.388 120.211 120.570 0.048 0.000 2.571 526 I HA 0.261 4.430 4.170 -0.001 0.000 0.289 526 I C -0.701 175.366 176.117 -0.084 0.000 1.115 526 I CA -0.625 60.617 61.300 -0.097 0.000 1.045 526 I CB 2.285 40.227 38.000 -0.097 0.000 1.238 526 I HN 0.045 nan 8.210 nan 0.000 0.424 527 K N 6.726 127.015 120.400 -0.184 0.000 2.358 527 K HA 0.418 4.738 4.320 -0.001 0.000 0.260 527 K C -0.972 175.518 176.600 -0.182 0.000 0.956 527 K CA -0.701 55.515 56.287 -0.118 0.000 0.834 527 K CB 1.774 34.236 32.500 -0.063 0.000 1.102 527 K HN 0.536 nan 8.250 nan 0.000 0.431 528 K N 5.602 125.896 120.400 -0.178 0.000 2.248 528 K HA 0.243 4.563 4.320 -0.001 0.000 0.281 528 K C -0.536 175.850 176.600 -0.356 0.000 1.054 528 K CA -0.723 55.396 56.287 -0.280 0.000 0.903 528 K CB 0.438 32.764 32.500 -0.290 0.000 1.077 528 K HN 0.614 nan 8.250 nan 0.000 0.474 529 I N 0.687 121.016 120.570 -0.402 0.000 2.740 529 I HA 0.511 4.680 4.170 -0.001 0.000 0.303 529 I C -1.265 174.535 176.117 -0.528 0.000 1.044 529 I CA -0.724 60.359 61.300 -0.362 0.000 1.064 529 I CB 1.224 39.139 38.000 -0.140 0.000 1.249 529 I HN 0.322 nan 8.210 nan 0.000 0.433 530 F N 2.499 122.397 119.950 -0.086 0.000 2.415 530 F HA 0.736 5.262 4.527 -0.003 0.000 0.348 530 F C 0.607 176.306 175.800 -0.168 0.000 1.119 530 F CA -0.335 57.599 58.000 -0.109 0.000 1.069 530 F CB 1.860 40.816 39.000 -0.073 0.000 1.124 530 F HN 0.722 nan 8.300 nan 0.000 0.472 531 T N 1.921 116.439 114.554 -0.061 0.000 3.012 531 T HA 0.203 4.553 4.350 -0.001 0.000 0.330 531 T C -0.554 174.067 174.700 -0.131 0.000 1.321 531 T CA -0.635 61.331 62.100 -0.223 0.000 1.067 531 T CB 1.272 69.706 68.868 -0.723 0.000 1.235 531 T HN 0.628 nan 8.240 nan 0.000 0.479 532 D N 1.660 122.012 120.400 -0.079 0.000 2.398 532 D HA 0.112 4.751 4.640 -0.001 0.000 0.210 532 D C 0.058 176.370 176.300 0.020 0.000 1.094 532 D CA -0.083 53.912 54.000 -0.009 0.000 0.839 532 D CB 0.709 41.519 40.800 0.018 0.000 0.963 532 D HN 0.523 nan 8.370 nan 0.000 0.506 533 E N 1.418 121.603 120.200 -0.024 0.000 2.413 533 E HA 0.072 4.421 4.350 -0.001 0.000 0.263 533 E C 0.224 176.914 176.600 0.149 0.000 1.015 533 E CA 0.364 56.813 56.400 0.081 0.000 0.916 533 E CB 0.640 30.433 29.700 0.155 0.000 0.947 533 E HN 0.011 nan 8.360 nan 0.000 0.440 534 N N 2.198 121.006 118.700 0.180 0.000 3.012 534 N HA 0.067 4.806 4.740 -0.001 0.000 0.270 534 N C 0.032 175.666 175.510 0.206 0.000 1.469 534 N CA -0.033 53.154 53.050 0.228 0.000 0.928 534 N CB 1.115 39.701 38.487 0.165 0.000 1.219 534 N HN 0.336 nan 8.380 nan 0.000 0.492 535 T N -0.274 114.435 114.554 0.258 0.000 2.973 535 T HA 0.309 4.658 4.350 -0.001 0.000 0.308 535 T C 1.794 176.545 174.700 0.086 0.000 1.177 535 T CA -0.518 61.648 62.100 0.111 0.000 0.938 535 T CB 0.558 69.511 68.868 0.143 0.000 1.791 535 T HN 0.286 nan 8.240 nan 0.000 0.581 536 I N -0.299 120.190 120.570 -0.136 0.000 2.194 536 I HA -0.164 4.005 4.170 -0.001 0.000 0.246 536 I C 1.809 177.894 176.117 -0.052 0.000 1.093 536 I CA 1.841 63.044 61.300 -0.162 0.000 1.355 536 I CB -0.232 37.597 38.000 -0.285 0.000 1.046 536 I HN 0.662 nan 8.210 nan 0.000 0.413 537 F N 0.771 120.885 119.950 0.273 0.000 2.051 537 F HA -0.284 4.245 4.527 0.004 0.000 0.296 537 F C 2.665 178.640 175.800 0.291 0.000 1.122 537 F CA 1.371 59.525 58.000 0.255 0.000 1.201 537 F CB -1.044 38.100 39.000 0.240 0.000 0.978 537 F HN 0.044 nan 8.300 nan 0.000 0.472 538 Q N -0.357 119.735 119.800 0.486 0.000 2.096 538 Q HA -0.209 4.130 4.340 -0.001 0.000 0.204 538 Q C 2.024 178.321 176.000 0.494 0.000 0.982 538 Q CA 1.776 57.845 55.803 0.443 0.000 0.850 538 Q CB -0.946 28.068 28.738 0.460 0.000 0.901 538 Q HN 0.468 nan 8.270 nan 0.000 0.422 539 Y N 0.030 120.502 120.300 0.287 0.000 2.145 539 Y HA -0.162 4.396 4.550 0.013 0.000 0.286 539 Y C 1.950 178.028 175.900 0.297 0.000 1.145 539 Y CA 1.130 59.374 58.100 0.240 0.000 1.148 539 Y CB -0.278 38.195 38.460 0.023 0.000 0.981 539 Y HN 0.062 nan 8.280 nan 0.000 0.507 540 L N -1.758 119.695 121.223 0.383 0.000 2.083 540 L HA -0.273 4.067 4.340 -0.001 0.000 0.209 540 L C 2.257 179.210 176.870 0.138 0.000 1.083 540 L CA 1.535 56.566 54.840 0.318 0.000 0.752 540 L CB -0.757 41.518 42.059 0.361 0.000 0.899 540 L HN 0.265 nan 8.230 nan 0.000 0.433 541 Y N 1.103 121.459 120.300 0.094 0.000 2.128 541 Y HA -0.348 4.201 4.550 -0.003 0.000 0.284 541 Y C 2.952 178.818 175.900 -0.057 0.000 1.154 541 Y CA 1.766 59.863 58.100 -0.005 0.000 1.149 541 Y CB -0.367 38.132 38.460 0.064 0.000 0.976 541 Y HN 0.264 nan 8.280 nan 0.000 0.505 542 S N -0.331 115.417 115.700 0.080 0.000 2.493 542 S HA -0.249 4.220 4.470 -0.001 0.000 0.243 542 S C 1.399 175.988 174.600 -0.017 0.000 0.991 542 S CA 1.551 59.728 58.200 -0.038 0.000 0.957 542 S CB -0.557 62.618 63.200 -0.040 0.000 0.756 542 S HN 0.759 nan 8.310 nan 0.000 0.521 543 Q N 1.266 121.027 119.800 -0.066 0.000 2.319 543 Q HA 0.163 4.502 4.340 -0.001 0.000 0.202 543 Q C 0.748 176.551 176.000 -0.329 0.000 0.896 543 Q CA 0.537 56.289 55.803 -0.086 0.000 0.942 543 Q CB 0.638 29.397 28.738 0.036 0.000 1.083 543 Q HN 0.822 nan 8.270 nan 0.000 0.510 544 T N -1.569 112.689 114.554 -0.494 0.000 2.922 544 T HA 0.674 5.023 4.350 -0.001 0.000 0.281 544 T C -0.382 174.195 174.700 -0.206 0.000 1.005 544 T CA -0.815 60.976 62.100 -0.514 0.000 0.982 544 T CB 1.155 69.638 68.868 -0.642 0.000 1.158 544 T HN 0.144 nan 8.240 nan 0.000 0.566 545 F N -2.727 117.096 119.950 -0.212 0.000 2.678 545 F HA 0.750 5.275 4.527 -0.002 0.000 0.308 545 F C -3.276 172.469 175.800 -0.091 0.000 1.118 545 F CA -2.587 55.325 58.000 -0.147 0.000 0.959 545 F CB -0.464 38.482 39.000 -0.091 0.000 1.305 545 F HN 0.437 nan 8.300 nan 0.000 0.443 546 P HA 0.236 nan 4.420 nan 0.000 0.268 546 P C 0.760 178.135 177.300 0.125 0.000 1.208 546 P CA -0.341 62.802 63.100 0.071 0.000 0.777 546 P CB 0.755 32.500 31.700 0.076 0.000 0.875 547 L N 0.763 122.017 121.223 0.052 0.000 2.456 547 L HA -0.118 4.221 4.340 -0.001 0.000 0.224 547 L C 1.220 178.151 176.870 0.102 0.000 1.148 547 L CA 1.094 55.974 54.840 0.068 0.000 0.825 547 L CB -0.725 41.350 42.059 0.027 0.000 0.937 547 L HN 0.430 nan 8.230 nan 0.000 0.450 548 D N -0.074 120.381 120.400 0.092 0.000 2.269 548 D HA -0.012 4.628 4.640 -0.001 0.000 0.220 548 D C 1.014 177.362 176.300 0.079 0.000 0.962 548 D CA -0.050 53.995 54.000 0.075 0.000 0.884 548 D CB -0.216 40.614 40.800 0.050 0.000 1.023 548 D HN -0.061 nan 8.370 nan 0.000 0.484 549 I N 2.467 123.086 120.570 0.083 0.000 2.943 549 I HA -0.065 4.104 4.170 -0.001 0.000 0.296 549 I C 1.606 177.723 176.117 0.001 0.000 1.220 549 I CA 0.671 61.992 61.300 0.034 0.000 1.409 549 I CB -0.062 37.962 38.000 0.039 0.000 1.374 549 I HN 0.275 nan 8.210 nan 0.000 0.545 550 R N 3.467 123.929 120.500 -0.063 0.000 2.344 550 R HA 0.173 4.512 4.340 -0.001 0.000 0.209 550 R C 0.085 176.139 176.300 -0.410 0.000 0.886 550 R CA -0.238 55.806 56.100 -0.092 0.000 1.040 550 R CB 0.214 30.567 30.300 0.087 0.000 1.114 550 R HN 0.421 nan 8.270 nan 0.000 0.547 551 D N 2.424 122.493 120.400 -0.551 0.000 2.499 551 D HA 0.215 4.854 4.640 -0.001 0.000 0.225 551 D C -0.035 175.943 176.300 -0.537 0.000 1.124 551 D CA -0.734 52.696 54.000 -0.949 0.000 0.938 551 D CB 0.452 40.784 40.800 -0.780 0.000 1.014 551 D HN 0.444 nan 8.370 nan 0.000 0.517 552 I N -0.539 119.732 120.570 -0.498 0.000 2.947 552 I HA 0.771 4.940 4.170 -0.001 0.000 0.314 552 I C -0.532 175.436 176.117 -0.248 0.000 1.028 552 I CA -0.902 60.187 61.300 -0.352 0.000 1.077 552 I CB 2.074 39.799 38.000 -0.458 0.000 1.274 552 I HN 0.220 nan 8.210 nan 0.000 0.485 553 S N 2.619 118.218 115.700 -0.169 0.000 2.556 553 S HA 0.625 5.094 4.470 -0.001 0.000 0.271 553 S C -0.747 173.815 174.600 -0.064 0.000 1.135 553 S CA -1.005 57.134 58.200 -0.101 0.000 0.858 553 S CB 1.463 64.607 63.200 -0.093 0.000 1.114 553 S HN 0.674 nan 8.310 nan 0.000 0.468 554 L N 1.474 122.675 121.223 -0.035 0.000 2.466 554 L HA 0.743 5.082 4.340 -0.001 0.000 0.257 554 L C 0.539 177.414 176.870 0.009 0.000 1.189 554 L CA -0.320 54.515 54.840 -0.008 0.000 0.813 554 L CB 1.271 43.327 42.059 -0.004 0.000 1.118 554 L HN 0.932 nan 8.230 nan 0.000 0.471 555 T N -1.447 113.132 114.554 0.041 0.000 3.047 555 T HA 0.160 4.509 4.350 -0.001 0.000 0.340 555 T C 0.330 175.117 174.700 0.146 0.000 1.421 555 T CA -0.205 61.946 62.100 0.084 0.000 1.090 555 T CB 1.334 70.260 68.868 0.098 0.000 1.292 555 T HN 0.691 nan 8.240 nan 0.000 0.480 556 S N 2.140 117.937 115.700 0.163 0.000 2.603 556 S HA 0.201 4.671 4.470 -0.001 0.000 0.220 556 S C 0.902 175.753 174.600 0.419 0.000 0.967 556 S CA -0.028 58.316 58.200 0.241 0.000 0.920 556 S CB 0.070 63.380 63.200 0.182 0.000 0.773 556 S HN 0.602 nan 8.310 nan 0.000 0.529 557 S N 1.022 116.927 115.700 0.342 0.000 2.410 557 S HA 0.410 4.879 4.470 -0.001 0.000 0.304 557 S C 0.381 175.124 174.600 0.240 0.000 1.095 557 S CA -0.951 57.416 58.200 0.278 0.000 1.089 557 S CB -0.085 63.220 63.200 0.175 0.000 0.968 557 S HN 0.404 nan 8.310 nan 0.000 0.480 558 F N 5.209 125.089 119.950 -0.117 0.000 2.095 558 F HA -0.118 4.416 4.527 0.012 0.000 0.298 558 F C 1.727 177.382 175.800 -0.240 0.000 1.104 558 F CA 1.982 59.647 58.000 -0.558 0.000 1.232 558 F CB -0.279 38.218 39.000 -0.839 0.000 0.987 558 F HN 0.605 nan 8.300 nan 0.000 0.475 559 D N 0.367 120.613 120.400 -0.256 0.000 2.123 559 D HA -0.195 4.445 4.640 -0.001 0.000 0.196 559 D C 1.799 177.987 176.300 -0.187 0.000 0.992 559 D CA 1.764 55.580 54.000 -0.306 0.000 0.833 559 D CB -0.528 40.257 40.800 -0.025 0.000 0.954 559 D HN 0.366 nan 8.370 nan 0.000 0.455 560 D N 0.471 120.873 120.400 0.004 0.000 2.123 560 D HA -0.092 4.547 4.640 -0.001 0.000 0.196 560 D C 2.023 178.428 176.300 0.174 0.000 0.992 560 D CA 1.292 55.412 54.000 0.200 0.000 0.833 560 D CB -0.234 40.694 40.800 0.213 0.000 0.954 560 D HN 0.124 nan 8.370 nan 0.000 0.455 561 A N 0.135 122.970 122.820 0.026 0.000 1.933 561 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 561 A C 2.329 179.844 177.584 -0.115 0.000 1.175 561 A CA 0.842 52.880 52.037 0.001 0.000 0.628 561 A CB -0.700 18.322 19.000 0.036 0.000 0.814 561 A HN 0.230 nan 8.150 nan 0.000 0.444 562 L N -1.213 119.833 121.223 -0.296 0.000 1.994 562 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 562 L C 2.589 179.351 176.870 -0.179 0.000 1.071 562 L CA 1.429 56.112 54.840 -0.262 0.000 0.745 562 L CB -0.520 41.264 42.059 -0.458 0.000 0.892 562 L HN 0.486 nan 8.230 nan 0.000 0.431 563 L N -0.195 120.865 121.223 -0.272 0.000 1.948 563 L HA -0.099 4.240 4.340 -0.001 0.000 0.212 563 L C 0.463 177.047 176.870 -0.477 0.000 1.074 563 L CA 1.426 56.002 54.840 -0.439 0.000 0.753 563 L CB -0.674 40.960 42.059 -0.707 0.000 0.888 563 L HN -0.135 nan 8.230 nan 0.000 0.432 564 F N 0.352 120.270 119.950 -0.052 0.000 2.472 564 F HA 0.146 4.671 4.527 -0.002 0.000 0.364 564 F C 1.923 177.697 175.800 -0.044 0.000 1.090 564 F CA 0.297 58.272 58.000 -0.043 0.000 1.188 564 F CB 0.193 39.167 39.000 -0.043 0.000 1.105 564 F HN 0.150 nan 8.300 nan 0.000 0.536 565 S N 0.962 116.720 115.700 0.098 0.000 2.447 565 S HA -0.201 4.269 4.470 -0.001 0.000 0.233 565 S C 1.322 175.949 174.600 0.045 0.000 1.006 565 S CA 0.994 59.225 58.200 0.052 0.000 0.957 565 S CB -0.431 62.792 63.200 0.038 0.000 0.773 565 S HN 0.799 nan 8.310 nan 0.000 0.507 566 N N 0.729 119.457 118.700 0.046 0.000 2.268 566 N HA 0.065 4.805 4.740 -0.001 0.000 0.204 566 N C -0.488 174.991 175.510 -0.052 0.000 1.124 566 N CA -0.160 52.862 53.050 -0.045 0.000 0.838 566 N CB 0.130 38.571 38.487 -0.077 0.000 0.994 566 N HN 0.134 nan 8.380 nan 0.000 0.489 567 K N 1.343 121.761 120.400 0.029 0.000 2.265 567 K HA 0.358 4.677 4.320 -0.001 0.000 0.267 567 K C -0.965 175.658 176.600 0.039 0.000 0.994 567 K CA -0.662 55.646 56.287 0.035 0.000 0.860 567 K CB 2.671 35.245 32.500 0.123 0.000 1.099 567 K HN -0.127 nan 8.250 nan 0.000 0.448 568 V N 4.438 124.366 119.914 0.024 0.000 2.384 568 V HA 0.155 4.275 4.120 -0.001 0.000 0.287 568 V C -0.384 175.773 176.094 0.105 0.000 1.020 568 V CA -1.113 61.224 62.300 0.062 0.000 0.850 568 V CB 0.886 32.737 31.823 0.048 0.000 0.987 568 V HN 0.591 nan 8.190 nan 0.000 0.436 569 Y N 4.101 124.410 120.300 0.015 0.000 2.511 569 Y HA 0.403 4.951 4.550 -0.004 0.000 0.332 569 Y C 0.557 176.486 175.900 0.050 0.000 1.177 569 Y CA 0.522 58.654 58.100 0.052 0.000 1.422 569 Y CB 1.037 39.545 38.460 0.079 0.000 1.271 569 Y HN 0.652 nan 8.280 nan 0.000 0.550 570 S N 6.376 121.668 115.700 -0.679 0.000 2.557 570 S HA 0.387 4.856 4.470 -0.001 0.000 0.291 570 S C -0.230 173.839 174.600 -0.885 0.000 1.116 570 S CA -0.811 56.957 58.200 -0.720 0.000 0.992 570 S CB 0.031 63.056 63.200 -0.293 0.000 1.028 570 S HN 0.642 nan 8.310 nan 0.000 0.484 571 F N 2.887 122.377 119.950 -0.767 0.000 2.692 571 F HA 0.531 5.060 4.527 0.004 0.000 0.303 571 F C 0.002 175.664 175.800 -0.230 0.000 1.114 571 F CA -1.024 56.709 58.000 -0.445 0.000 1.361 571 F CB -0.543 38.285 39.000 -0.286 0.000 1.063 571 F HN 0.339 nan 8.300 nan 0.000 0.550 572 F N 1.036 120.708 119.950 -0.464 0.000 2.348 572 F HA 0.350 4.876 4.527 -0.002 0.000 0.308 572 F C 1.441 177.182 175.800 -0.098 0.000 1.175 572 F CA -1.177 56.591 58.000 -0.387 0.000 1.080 572 F CB 0.676 39.220 39.000 -0.759 0.000 1.341 572 F HN -0.037 nan 8.300 nan 0.000 0.518 573 S N 0.960 116.760 115.700 0.166 0.000 2.573 573 S HA -0.050 4.420 4.470 -0.001 0.000 0.277 573 S C 0.912 175.611 174.600 0.166 0.000 1.346 573 S CA -0.706 57.578 58.200 0.140 0.000 1.034 573 S CB 0.801 64.048 63.200 0.078 0.000 0.879 573 S HN 0.866 nan 8.310 nan 0.000 0.528 574 M N 0.968 120.640 119.600 0.121 0.000 2.108 574 M HA -0.202 4.278 4.480 -0.001 0.000 0.261 574 M C 1.946 178.298 176.300 0.087 0.000 1.066 574 M CA 2.437 57.796 55.300 0.099 0.000 1.107 574 M CB -0.609 32.041 32.600 0.083 0.000 1.356 574 M HN 1.002 nan 8.290 nan 0.000 0.406 575 D N -0.525 119.925 120.400 0.084 0.000 2.087 575 D HA -0.289 4.350 4.640 -0.001 0.000 0.192 575 D C 1.921 178.263 176.300 0.069 0.000 0.993 575 D CA 1.987 56.026 54.000 0.064 0.000 0.828 575 D CB -0.769 40.063 40.800 0.053 0.000 0.968 575 D HN 0.589 nan 8.370 nan 0.000 0.448 576 Y N 1.509 121.800 120.300 -0.016 0.000 2.102 576 Y HA -0.227 4.323 4.550 -0.001 0.000 0.280 576 Y C 2.433 178.346 175.900 0.022 0.000 1.178 576 Y CA 1.870 59.955 58.100 -0.024 0.000 1.146 576 Y CB -0.525 37.901 38.460 -0.058 0.000 0.968 576 Y HN 0.026 nan 8.280 nan 0.000 0.504 577 I N 0.145 120.724 120.570 0.016 0.000 2.286 577 I HA -0.314 3.855 4.170 -0.001 0.000 0.248 577 I C 2.304 178.373 176.117 -0.081 0.000 1.115 577 I CA 1.709 62.969 61.300 -0.067 0.000 1.392 577 I CB -0.428 37.609 38.000 0.062 0.000 1.065 577 I HN 0.234 nan 8.210 nan 0.000 0.418 578 K N 0.181 120.566 120.400 -0.025 0.000 2.103 578 K HA -0.081 4.238 4.320 -0.001 0.000 0.204 578 K C 2.058 178.671 176.600 0.021 0.000 1.052 578 K CA 1.641 57.930 56.287 0.003 0.000 0.945 578 K CB -0.206 32.308 32.500 0.023 0.000 0.722 578 K HN 0.276 nan 8.250 nan 0.000 0.443 579 T N 1.101 115.653 114.554 -0.003 0.000 2.867 579 T HA -0.109 4.240 4.350 -0.001 0.000 0.268 579 T C 1.983 176.794 174.700 0.184 0.000 1.057 579 T CA 1.250 63.392 62.100 0.070 0.000 1.136 579 T CB -0.164 68.678 68.868 -0.044 0.000 0.874 579 T HN 0.283 nan 8.240 nan 0.000 0.466 580 A N 2.364 125.148 122.820 -0.060 0.000 1.969 580 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 580 A C 2.047 179.767 177.584 0.227 0.000 1.169 580 A CA 1.060 53.110 52.037 0.021 0.000 0.635 580 A CB -0.321 18.487 19.000 -0.320 0.000 0.810 580 A HN 0.387 nan 8.150 nan 0.000 0.445 581 N N -0.212 118.546 118.700 0.098 0.000 2.398 581 N HA 0.023 4.762 4.740 -0.001 0.000 0.188 581 N C 0.340 175.868 175.510 0.030 0.000 1.122 581 N CA 0.216 53.297 53.050 0.052 0.000 0.866 581 N CB 0.007 38.494 38.487 -0.000 0.000 0.970 581 N HN 0.519 nan 8.380 nan 0.000 0.462 582 K N 1.254 121.709 120.400 0.093 0.000 2.401 582 K HA 0.171 4.490 4.320 -0.001 0.000 0.278 582 K C -0.702 175.727 176.600 -0.285 0.000 1.018 582 K CA 0.062 56.338 56.287 -0.018 0.000 0.981 582 K CB 0.734 33.319 32.500 0.141 0.000 0.933 582 K HN -0.261 nan 8.250 nan 0.000 0.477 583 V N 5.867 125.649 119.914 -0.221 0.000 2.448 583 V HA 0.343 4.462 4.120 -0.001 0.000 0.295 583 V C -0.081 175.903 176.094 -0.182 0.000 1.025 583 V CA -0.647 61.504 62.300 -0.249 0.000 0.859 583 V CB 1.351 33.092 31.823 -0.137 0.000 0.988 583 V HN 0.700 nan 8.190 nan 0.000 0.431 584 V N 1.808 121.625 119.914 -0.162 0.000 3.145 584 V HA 0.754 4.874 4.120 -0.001 0.000 0.311 584 V C -0.439 175.712 176.094 0.095 0.000 1.238 584 V CA -0.911 61.373 62.300 -0.027 0.000 1.066 584 V CB 2.160 33.974 31.823 -0.015 0.000 1.144 584 V HN 0.642 nan 8.190 nan 0.000 0.465 585 E N 0.366 120.613 120.200 0.079 0.000 2.343 585 E HA 0.504 4.853 4.350 -0.001 0.000 0.269 585 E C 1.186 177.793 176.600 0.011 0.000 1.047 585 E CA 0.275 56.708 56.400 0.054 0.000 0.874 585 E CB 1.649 31.355 29.700 0.010 0.000 1.033 585 E HN 0.941 nan 8.360 nan 0.000 0.409 586 A N 2.981 125.649 122.820 -0.254 0.000 1.997 586 A HA -0.185 4.134 4.320 -0.001 0.000 0.221 586 A C 1.926 179.391 177.584 -0.198 0.000 1.172 586 A CA 2.137 53.787 52.037 -0.645 0.000 0.645 586 A CB -0.779 17.674 19.000 -0.912 0.000 0.813 586 A HN 0.666 nan 8.150 nan 0.000 0.454 587 G N -1.293 107.445 108.800 -0.102 0.000 2.679 587 G HA2 0.161 4.121 3.960 -0.001 0.000 0.212 587 G HA3 0.161 4.121 3.960 -0.001 0.000 0.212 587 G C 1.036 175.953 174.900 0.028 0.000 1.137 587 G CA 0.878 45.960 45.100 -0.031 0.000 0.787 587 G HN 0.480 nan 8.290 nan 0.000 0.534 588 L N -1.336 119.929 121.223 0.070 0.000 3.135 588 L HA 0.393 4.732 4.340 -0.001 0.000 0.279 588 L C 1.588 178.575 176.870 0.196 0.000 1.200 588 L CA -0.442 54.463 54.840 0.108 0.000 1.016 588 L CB 0.213 42.325 42.059 0.088 0.000 1.391 588 L HN 0.066 nan 8.230 nan 0.000 0.588 589 F N 1.948 121.949 119.950 0.086 0.000 2.146 589 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 589 F C 2.368 178.320 175.800 0.252 0.000 1.096 589 F CA 1.508 59.631 58.000 0.205 0.000 1.275 589 F CB 0.038 39.193 39.000 0.257 0.000 1.008 589 F HN 0.077 nan 8.300 nan 0.000 0.480 590 A N 0.256 123.157 122.820 0.136 0.000 1.883 590 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 590 A C 2.508 180.063 177.584 -0.049 0.000 1.186 590 A CA 1.771 53.808 52.037 0.001 0.000 0.624 590 A CB -1.806 17.224 19.000 0.050 0.000 0.822 590 A HN 0.489 nan 8.150 nan 0.000 0.444 591 G N -1.960 106.851 108.800 0.018 0.000 2.432 591 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 591 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 591 G C 1.405 176.311 174.900 0.011 0.000 1.135 591 G CA 1.051 46.157 45.100 0.010 0.000 0.767 591 G HN 0.743 nan 8.290 nan 0.000 0.550 592 W N 0.691 121.894 121.300 -0.161 0.000 2.418 592 W HA 0.044 4.703 4.660 -0.001 0.000 0.292 592 W C 2.219 178.583 176.519 -0.258 0.000 1.213 592 W CA 1.093 58.334 57.345 -0.175 0.000 1.283 592 W CB -0.121 29.252 29.460 -0.145 0.000 1.119 592 W HN 0.002 nan 8.180 nan 0.000 0.542 593 V N 1.791 121.516 119.914 -0.314 0.000 2.358 593 V HA -0.292 3.828 4.120 -0.001 0.000 0.246 593 V C 2.685 178.495 176.094 -0.473 0.000 1.047 593 V CA 2.194 64.145 62.300 -0.582 0.000 1.035 593 V CB -0.865 30.649 31.823 -0.516 0.000 0.658 593 V HN 0.108 nan 8.190 nan 0.000 0.452 594 K N -0.059 120.157 120.400 -0.308 0.000 2.147 594 K HA -0.231 4.088 4.320 -0.001 0.000 0.205 594 K C 2.202 178.664 176.600 -0.231 0.000 1.049 594 K CA 1.921 58.073 56.287 -0.225 0.000 0.936 594 K CB -0.081 32.333 32.500 -0.144 0.000 0.722 594 K HN 0.647 nan 8.250 nan 0.000 0.446 595 Q N 0.232 119.866 119.800 -0.276 0.000 1.994 595 Q HA -0.135 4.204 4.340 -0.001 0.000 0.198 595 Q C 2.159 177.972 176.000 -0.311 0.000 0.976 595 Q CA 1.242 56.895 55.803 -0.250 0.000 0.828 595 Q CB -0.188 28.422 28.738 -0.212 0.000 0.894 595 Q HN 0.199 nan 8.270 nan 0.000 0.432 596 I N 0.407 120.638 120.570 -0.565 0.000 2.335 596 I HA -0.218 3.951 4.170 -0.001 0.000 0.251 596 I C 1.934 177.919 176.117 -0.220 0.000 1.129 596 I CA 0.906 61.899 61.300 -0.512 0.000 1.402 596 I CB -0.138 37.258 38.000 -1.008 0.000 1.069 596 I HN 0.130 nan 8.210 nan 0.000 0.424 597 V N 0.652 120.407 119.914 -0.265 0.000 2.244 597 V HA -0.289 3.831 4.120 -0.001 0.000 0.244 597 V C 2.288 178.365 176.094 -0.028 0.000 1.042 597 V CA 2.217 64.436 62.300 -0.135 0.000 1.006 597 V CB -1.062 30.640 31.823 -0.201 0.000 0.641 597 V HN 0.551 nan 8.190 nan 0.000 0.446 598 N N 0.342 118.994 118.700 -0.080 0.000 2.192 598 N HA -0.220 4.519 4.740 -0.001 0.000 0.188 598 N C 1.359 176.845 175.510 -0.039 0.000 1.013 598 N CA 1.793 54.811 53.050 -0.053 0.000 0.863 598 N CB -0.206 38.236 38.487 -0.075 0.000 0.990 598 N HN 0.459 nan 8.380 nan 0.000 0.430 599 D N -0.948 119.433 120.400 -0.031 0.000 2.149 599 D HA -0.094 4.545 4.640 -0.001 0.000 0.201 599 D C 1.400 177.661 176.300 -0.065 0.000 0.972 599 D CA 0.533 54.520 54.000 -0.021 0.000 0.835 599 D CB -0.380 40.446 40.800 0.043 0.000 0.966 599 D HN 0.328 nan 8.370 nan 0.000 0.476 600 F N 1.138 121.017 119.950 -0.117 0.000 2.069 600 F HA -0.242 4.286 4.527 0.001 0.000 0.298 600 F C 2.148 177.731 175.800 -0.361 0.000 1.113 600 F CA 1.171 59.001 58.000 -0.284 0.000 1.214 600 F CB -0.278 38.697 39.000 -0.042 0.000 0.978 600 F HN -0.196 nan 8.300 nan 0.000 0.474 601 V N 1.151 121.098 119.914 0.054 0.000 2.287 601 V HA -0.356 3.763 4.120 -0.001 0.000 0.248 601 V C 2.433 178.420 176.094 -0.179 0.000 1.053 601 V CA 2.235 64.523 62.300 -0.019 0.000 1.027 601 V CB -0.745 31.097 31.823 0.032 0.000 0.646 601 V HN 0.406 nan 8.190 nan 0.000 0.447 602 I N -0.395 120.060 120.570 -0.191 0.000 2.127 602 I HA -0.222 3.947 4.170 -0.001 0.000 0.241 602 I C 2.751 178.671 176.117 -0.328 0.000 1.075 602 I CA 1.561 62.739 61.300 -0.203 0.000 1.334 602 I CB -0.560 37.345 38.000 -0.159 0.000 1.040 602 I HN 0.336 nan 8.210 nan 0.000 0.405 603 E N 1.049 120.895 120.200 -0.590 0.000 2.049 603 E HA -0.261 4.089 4.350 -0.001 0.000 0.198 603 E C 2.322 178.444 176.600 -0.796 0.000 1.007 603 E CA 1.695 57.549 56.400 -0.911 0.000 0.809 603 E CB -0.444 28.109 29.700 -1.912 0.000 0.749 603 E HN 0.531 nan 8.360 nan 0.000 0.450 604 A N 1.577 123.853 122.820 -0.908 0.000 1.908 604 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 604 A C 1.832 179.411 177.584 -0.008 0.000 1.181 604 A CA 1.760 53.576 52.037 -0.369 0.000 0.627 604 A CB -0.884 17.913 19.000 -0.337 0.000 0.818 604 A HN 0.313 nan 8.150 nan 0.000 0.445 605 N N -0.782 117.863 118.700 -0.091 0.000 2.571 605 N HA -0.021 4.718 4.740 -0.001 0.000 0.189 605 N C 0.911 176.408 175.510 -0.023 0.000 1.154 605 N CA 0.158 53.191 53.050 -0.028 0.000 0.907 605 N CB -0.029 38.429 38.487 -0.049 0.000 0.977 605 N HN 0.457 nan 8.380 nan 0.000 0.449 606 K N 0.563 120.969 120.400 0.011 0.000 2.555 606 K HA 0.002 4.322 4.320 -0.001 0.000 0.193 606 K C 1.496 178.042 176.600 -0.090 0.000 1.032 606 K CA 0.355 56.635 56.287 -0.013 0.000 1.004 606 K CB 0.153 32.675 32.500 0.036 0.000 0.804 606 K HN 0.201 nan 8.250 nan 0.000 0.496 607 S N 0.729 116.386 115.700 -0.072 0.000 2.561 607 S HA -0.091 4.378 4.470 -0.001 0.000 0.225 607 S C 1.059 175.546 174.600 -0.189 0.000 0.977 607 S CA 0.764 58.821 58.200 -0.238 0.000 0.926 607 S CB -0.344 62.799 63.200 -0.095 0.000 0.769 607 S HN 0.396 nan 8.310 nan 0.000 0.533 608 N N 0.580 119.209 118.700 -0.119 0.000 2.251 608 N HA 0.104 4.844 4.740 -0.001 0.000 0.217 608 N C -0.480 174.965 175.510 -0.109 0.000 1.124 608 N CA -0.210 52.781 53.050 -0.097 0.000 0.843 608 N CB -0.441 38.012 38.487 -0.057 0.000 1.024 608 N HN 0.027 nan 8.380 nan 0.000 0.501 609 T N 1.481 115.950 114.554 -0.142 0.000 2.928 609 T HA 0.121 4.470 4.350 -0.001 0.000 0.305 609 T C 0.324 174.953 174.700 -0.119 0.000 1.035 609 T CA 0.275 62.299 62.100 -0.126 0.000 1.145 609 T CB 0.421 69.207 68.868 -0.136 0.000 0.963 609 T HN 0.200 nan 8.240 nan 0.000 0.545 610 M N 2.409 121.953 119.600 -0.094 0.000 2.472 610 M HA 0.363 4.842 4.480 -0.001 0.000 0.331 610 M C 0.057 176.317 176.300 -0.068 0.000 1.170 610 M CA -0.580 54.674 55.300 -0.077 0.000 1.009 610 M CB 1.496 34.050 32.600 -0.077 0.000 1.672 610 M HN 0.455 nan 8.290 nan 0.000 0.453 611 D N 0.615 120.990 120.400 -0.043 0.000 2.895 611 D HA 0.170 4.810 4.640 -0.001 0.000 0.350 611 D C 0.805 177.087 176.300 -0.030 0.000 1.389 611 D CA 0.021 54.004 54.000 -0.028 0.000 0.812 611 D CB 0.437 41.239 40.800 0.004 0.000 1.164 611 D HN 0.302 nan 8.370 nan 0.000 0.455 612 K N 0.249 120.619 120.400 -0.050 0.000 2.107 612 K HA -0.195 4.124 4.320 -0.001 0.000 0.211 612 K C 1.793 178.349 176.600 -0.072 0.000 1.049 612 K CA 0.852 57.106 56.287 -0.056 0.000 0.927 612 K CB -0.268 32.190 32.500 -0.071 0.000 0.714 612 K HN 0.363 nan 8.250 nan 0.000 0.452 613 I N 0.989 121.512 120.570 -0.079 0.000 2.264 613 I HA -0.223 3.947 4.170 -0.001 0.000 0.248 613 I C 1.632 177.653 176.117 -0.159 0.000 1.111 613 I CA 1.473 62.705 61.300 -0.114 0.000 1.382 613 I CB -0.259 37.708 38.000 -0.056 0.000 1.060 613 I HN 0.116 nan 8.210 nan 0.000 0.418 614 A N -0.754 122.014 122.820 -0.087 0.000 2.337 614 A HA 0.132 4.451 4.320 -0.001 0.000 0.227 614 A C 0.463 178.010 177.584 -0.062 0.000 1.259 614 A CA 0.383 52.378 52.037 -0.071 0.000 0.870 614 A CB -0.508 18.483 19.000 -0.015 0.000 0.927 614 A HN 0.508 nan 8.150 nan 0.000 0.497 615 D N -0.756 119.603 120.400 -0.069 0.000 2.705 615 D HA -0.149 4.491 4.640 -0.001 0.000 0.240 615 D C -0.514 175.780 176.300 -0.011 0.000 1.137 615 D CA 1.170 55.141 54.000 -0.048 0.000 0.677 615 D CB -1.373 39.383 40.800 -0.074 0.000 1.049 615 D HN 0.567 nan 8.370 nan 0.000 0.427 616 I N 0.269 120.850 120.570 0.018 0.000 2.540 616 I HA 0.059 4.228 4.170 -0.001 0.000 0.280 616 I C 1.148 177.293 176.117 0.048 0.000 1.083 616 I CA -0.429 60.918 61.300 0.079 0.000 1.080 616 I CB 1.771 39.865 38.000 0.158 0.000 1.205 616 I HN -0.247 nan 8.210 nan 0.000 0.459 617 S N 4.199 119.923 115.700 0.040 0.000 2.423 617 S HA 0.055 4.525 4.470 -0.001 0.000 0.231 617 S C 0.273 174.881 174.600 0.012 0.000 1.014 617 S CA 0.870 59.078 58.200 0.013 0.000 0.965 617 S CB -0.005 63.199 63.200 0.007 0.000 0.785 617 S HN 0.431 nan 8.310 nan 0.000 0.495 618 L N 0.545 121.801 121.223 0.056 0.000 2.436 618 L HA 0.743 5.083 4.340 -0.001 0.000 0.268 618 L C -1.543 175.293 176.870 -0.057 0.000 0.974 618 L CA -0.664 54.186 54.840 0.015 0.000 0.826 618 L CB 1.941 44.048 42.059 0.080 0.000 1.291 618 L HN 0.027 nan 8.230 nan 0.000 0.406 619 I N 4.394 124.768 120.570 -0.326 0.000 2.644 619 I HA 0.524 4.694 4.170 -0.001 0.000 0.291 619 I C -1.443 174.209 176.117 -0.775 0.000 1.180 619 I CA -0.338 60.538 61.300 -0.707 0.000 1.040 619 I CB 2.427 40.221 38.000 -0.343 0.000 1.255 619 I HN 0.250 nan 8.210 nan 0.000 0.422 620 V N 10.540 129.746 119.914 -1.180 0.000 2.277 620 V HA 0.359 4.479 4.120 -0.001 0.000 0.269 620 V C -1.480 174.182 176.094 -0.720 0.000 1.036 620 V CA -0.935 60.820 62.300 -0.907 0.000 0.821 620 V CB 0.887 32.164 31.823 -0.911 0.000 1.052 620 V HN 0.694 nan 8.190 nan 0.000 0.462 621 P HA -0.163 nan 4.420 nan 0.000 0.222 621 P C 0.992 178.198 177.300 -0.156 0.000 1.147 621 P CA 1.352 64.356 63.100 -0.160 0.000 0.790 621 P CB 0.097 31.764 31.700 -0.055 0.000 0.780 622 Y N -2.230 117.981 120.300 -0.149 0.000 2.482 622 Y HA 0.285 4.834 4.550 -0.002 0.000 0.270 622 Y C 2.145 177.798 175.900 -0.412 0.000 1.152 622 Y CA -0.908 57.109 58.100 -0.139 0.000 1.292 622 Y CB -1.798 36.744 38.460 0.137 0.000 1.070 622 Y HN -0.226 nan 8.280 nan 0.000 0.528 623 I N 1.302 121.567 120.570 -0.508 0.000 2.248 623 I HA -0.260 3.909 4.170 -0.001 0.000 0.248 623 I C 2.621 178.374 176.117 -0.607 0.000 1.107 623 I CA 1.698 62.670 61.300 -0.546 0.000 1.373 623 I CB -0.676 36.981 38.000 -0.571 0.000 1.055 623 I HN 0.495 nan 8.210 nan 0.000 0.418 624 G N 0.866 109.156 108.800 -0.850 0.000 2.402 624 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.216 624 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.216 624 G C 1.696 176.436 174.900 -0.266 0.000 1.162 624 G CA 0.343 45.128 45.100 -0.525 0.000 0.777 624 G HN 0.270 nan 8.290 nan 0.000 0.539 625 L N 0.578 121.721 121.223 -0.133 0.000 2.093 625 L HA 0.035 4.374 4.340 -0.001 0.000 0.208 625 L C 3.333 180.288 176.870 0.142 0.000 1.085 625 L CA 0.871 55.773 54.840 0.102 0.000 0.755 625 L CB -0.245 41.958 42.059 0.240 0.000 0.904 625 L HN 0.300 nan 8.230 nan 0.000 0.435 626 A N -0.269 122.382 122.820 -0.282 0.000 1.929 626 A HA -0.044 4.276 4.320 -0.001 0.000 0.216 626 A C 2.043 179.572 177.584 -0.093 0.000 1.176 626 A CA 1.390 53.099 52.037 -0.547 0.000 0.628 626 A CB -0.191 17.910 19.000 -1.498 0.000 0.816 626 A HN 0.421 nan 8.150 nan 0.000 0.444 627 L N -3.230 117.858 121.223 -0.226 0.000 2.766 627 L HA 0.237 4.576 4.340 -0.001 0.000 0.241 627 L C 0.688 177.254 176.870 -0.507 0.000 1.080 627 L CA 0.388 55.104 54.840 -0.206 0.000 0.909 627 L CB -0.015 41.944 42.059 -0.167 0.000 1.277 627 L HN 0.379 nan 8.230 nan 0.000 0.510 628 N N 1.000 119.317 118.700 -0.638 0.000 2.725 628 N HA -0.189 4.550 4.740 -0.001 0.000 0.251 628 N C -0.607 174.667 175.510 -0.393 0.000 1.031 628 N CA 0.467 53.108 53.050 -0.682 0.000 0.720 628 N CB -0.925 36.741 38.487 -1.368 0.000 0.930 628 N HN 0.156 nan 8.380 nan 0.000 0.543 629 V N 0.137 119.898 119.914 -0.256 0.000 2.567 629 V HA 0.784 4.903 4.120 -0.001 0.000 0.289 629 V C 1.369 177.371 176.094 -0.152 0.000 1.049 629 V CA 1.125 63.310 62.300 -0.191 0.000 0.969 629 V CB 0.887 32.649 31.823 -0.102 0.000 0.995 629 V HN 0.964 nan 8.190 nan 0.000 0.471 630 G N 5.244 113.911 108.800 -0.222 0.000 2.499 630 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.232 630 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.232 630 G C 0.104 174.940 174.900 -0.106 0.000 1.251 630 G CA 0.197 45.198 45.100 -0.166 0.000 0.917 630 G HN 1.059 nan 8.290 nan 0.000 0.580 631 N N 2.701 121.375 118.700 -0.044 0.000 2.819 631 N HA 0.187 4.926 4.740 -0.001 0.000 0.284 631 N C 0.529 176.036 175.510 -0.004 0.000 1.196 631 N CA 0.792 53.829 53.050 -0.021 0.000 1.114 631 N CB -0.845 37.638 38.487 -0.006 0.000 1.437 631 N HN 0.591 nan 8.380 nan 0.000 0.518 632 E N 0.169 120.350 120.200 -0.031 0.000 2.106 632 E HA -0.231 4.118 4.350 -0.001 0.000 0.175 632 E C 0.351 176.946 176.600 -0.009 0.000 1.448 632 E CA 0.725 57.100 56.400 -0.042 0.000 0.672 632 E CB -0.876 28.816 29.700 -0.014 0.000 1.057 632 E HN 0.661 nan 8.360 nan 0.000 0.321 633 T N -3.220 111.334 114.554 -0.000 0.000 3.155 633 T HA 0.127 4.476 4.350 -0.001 0.000 0.264 633 T C 1.465 176.206 174.700 0.070 0.000 1.160 633 T CA 0.614 62.790 62.100 0.127 0.000 1.075 633 T CB 0.303 69.303 68.868 0.220 0.000 0.921 633 T HN 0.346 nan 8.240 nan 0.000 0.533 634 A N 0.679 123.463 122.820 -0.059 0.000 2.238 634 A HA 0.321 4.640 4.320 -0.001 0.000 0.210 634 A C 0.890 178.512 177.584 0.064 0.000 1.179 634 A CA -0.155 51.858 52.037 -0.040 0.000 0.827 634 A CB 0.011 18.893 19.000 -0.195 0.000 0.856 634 A HN 0.489 nan 8.150 nan 0.000 0.488 635 K N -0.195 120.244 120.400 0.064 0.000 2.159 635 K HA 0.519 4.838 4.320 -0.001 0.000 0.266 635 K C 0.637 177.295 176.600 0.097 0.000 0.975 635 K CA 0.263 56.600 56.287 0.083 0.000 0.865 635 K CB 1.427 33.965 32.500 0.062 0.000 1.087 635 K HN 0.464 nan 8.250 nan 0.000 0.446 636 G N 2.268 111.127 108.800 0.099 0.000 2.642 636 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.231 636 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.231 636 G C -0.821 174.150 174.900 0.117 0.000 1.338 636 G CA -0.676 44.480 45.100 0.094 0.000 0.883 636 G HN 0.658 nan 8.290 nan 0.000 0.570 637 N N 0.386 119.149 118.700 0.105 0.000 2.437 637 N HA 0.401 5.140 4.740 -0.001 0.000 0.259 637 N C 1.089 176.681 175.510 0.137 0.000 0.983 637 N CA -0.203 52.922 53.050 0.124 0.000 0.937 637 N CB 0.915 39.457 38.487 0.092 0.000 1.122 637 N HN 0.477 nan 8.380 nan 0.000 0.499 638 F N 3.887 123.868 119.950 0.052 0.000 2.095 638 F HA -0.142 4.384 4.527 -0.000 0.000 0.298 638 F C 2.194 178.046 175.800 0.087 0.000 1.104 638 F CA 1.702 59.736 58.000 0.057 0.000 1.232 638 F CB 0.039 39.047 39.000 0.014 0.000 0.987 638 F HN 0.681 nan 8.300 nan 0.000 0.475 639 E N 0.035 120.274 120.200 0.064 0.000 2.033 639 E HA -0.366 3.983 4.350 -0.001 0.000 0.199 639 E C 2.111 178.702 176.600 -0.014 0.000 1.011 639 E CA 1.746 58.148 56.400 0.004 0.000 0.815 639 E CB -0.474 29.254 29.700 0.046 0.000 0.755 639 E HN 0.487 nan 8.360 nan 0.000 0.451 640 N N 0.018 118.720 118.700 0.004 0.000 2.036 640 N HA -0.220 4.519 4.740 -0.001 0.000 0.195 640 N C 1.669 177.156 175.510 -0.039 0.000 1.037 640 N CA 2.189 55.240 53.050 0.002 0.000 0.855 640 N CB -0.343 38.157 38.487 0.022 0.000 1.033 640 N HN 0.236 nan 8.380 nan 0.000 0.423 641 A N -0.740 122.036 122.820 -0.074 0.000 1.940 641 A HA -0.121 4.198 4.320 -0.001 0.000 0.219 641 A C 2.170 179.664 177.584 -0.150 0.000 1.176 641 A CA 1.306 53.280 52.037 -0.105 0.000 0.631 641 A CB -1.127 17.813 19.000 -0.099 0.000 0.814 641 A HN 0.526 nan 8.150 nan 0.000 0.446 642 F N 0.889 120.600 119.950 -0.399 0.000 2.163 642 F HA -0.069 4.448 4.527 -0.016 0.000 0.297 642 F C 2.170 177.876 175.800 -0.157 0.000 1.094 642 F CA 1.851 59.648 58.000 -0.338 0.000 1.290 642 F CB -0.247 38.486 39.000 -0.446 0.000 1.017 642 F HN 0.363 nan 8.300 nan 0.000 0.483 643 E N 0.288 120.450 120.200 -0.062 0.000 2.160 643 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 643 E C 2.290 178.794 176.600 -0.160 0.000 0.991 643 E CA 1.683 58.029 56.400 -0.091 0.000 0.810 643 E CB -0.204 29.489 29.700 -0.010 0.000 0.742 643 E HN 0.496 nan 8.360 nan 0.000 0.466 644 I N 0.432 120.915 120.570 -0.145 0.000 2.296 644 I HA -0.132 4.037 4.170 -0.001 0.000 0.242 644 I C 2.345 178.357 176.117 -0.175 0.000 1.087 644 I CA 0.974 62.195 61.300 -0.131 0.000 1.393 644 I CB -0.067 37.879 38.000 -0.089 0.000 1.093 644 I HN 0.047 nan 8.210 nan 0.000 0.421 645 A N -0.015 122.682 122.820 -0.205 0.000 2.115 645 A HA 0.451 4.770 4.320 -0.001 0.000 0.211 645 A C 1.339 178.745 177.584 -0.298 0.000 1.169 645 A CA 0.737 52.656 52.037 -0.197 0.000 0.787 645 A CB -0.416 18.513 19.000 -0.117 0.000 0.858 645 A HN 0.515 nan 8.150 nan 0.000 0.474 646 G N -1.426 107.022 108.800 -0.587 0.000 2.642 646 G HA2 0.101 4.060 3.960 -0.001 0.000 0.231 646 G HA3 0.101 4.060 3.960 -0.001 0.000 0.231 646 G C 1.155 175.804 174.900 -0.419 0.000 1.338 646 G CA 0.590 45.121 45.100 -0.948 0.000 0.883 646 G HN 1.441 nan 8.290 nan 0.000 0.570 647 A N -0.965 121.813 122.820 -0.070 0.000 1.927 647 A HA -0.052 4.267 4.320 -0.001 0.000 0.220 647 A C 2.821 180.639 177.584 0.389 0.000 1.185 647 A CA 3.548 55.806 52.037 0.369 0.000 0.639 647 A CB -1.095 18.114 19.000 0.347 0.000 0.820 647 A HN 1.805 nan 8.150 nan 0.000 0.451 648 S N 0.047 115.921 115.700 0.290 0.000 2.413 648 S HA -0.264 4.206 4.470 -0.001 0.000 0.237 648 S C 1.736 176.412 174.600 0.125 0.000 1.044 648 S CA 1.772 60.119 58.200 0.245 0.000 1.024 648 S CB -0.927 62.377 63.200 0.173 0.000 0.829 648 S HN 0.825 nan 8.310 nan 0.000 0.475 649 I N -1.244 119.405 120.570 0.131 0.000 2.493 649 I HA -0.038 4.131 4.170 -0.001 0.000 0.254 649 I C 1.803 178.010 176.117 0.149 0.000 1.160 649 I CA 1.252 62.620 61.300 0.113 0.000 1.445 649 I CB -0.428 37.638 38.000 0.110 0.000 1.086 649 I HN 0.161 nan 8.210 nan 0.000 0.433 650 L N 1.060 122.429 121.223 0.244 0.000 2.313 650 L HA 0.138 4.477 4.340 -0.001 0.000 0.214 650 L C 1.104 177.958 176.870 -0.025 0.000 1.119 650 L CA 0.213 55.187 54.840 0.223 0.000 0.809 650 L CB -0.129 42.207 42.059 0.462 0.000 0.933 650 L HN 0.213 nan 8.230 nan 0.000 0.449 651 L N 0.707 121.840 121.223 -0.150 0.000 2.499 651 L HA -0.070 4.270 4.340 -0.001 0.000 0.273 651 L C 1.491 178.128 176.870 -0.389 0.000 1.195 651 L CA -0.137 54.478 54.840 -0.375 0.000 0.882 651 L CB 0.603 42.422 42.059 -0.400 0.000 1.133 651 L HN 0.052 nan 8.230 nan 0.000 0.483 652 E N 2.752 122.569 120.200 -0.638 0.000 2.204 652 E HA -0.082 4.267 4.350 -0.001 0.000 0.194 652 E C -0.501 175.732 176.600 -0.611 0.000 0.989 652 E CA 0.963 56.811 56.400 -0.919 0.000 0.824 652 E CB 0.233 28.780 29.700 -1.922 0.000 0.756 652 E HN 0.402 nan 8.360 nan 0.000 0.477 653 F N -0.363 119.285 119.950 -0.504 0.000 2.615 653 F HA 0.365 4.895 4.527 0.005 0.000 0.312 653 F C -1.462 174.242 175.800 -0.160 0.000 1.119 653 F CA -1.195 56.688 58.000 -0.195 0.000 0.979 653 F CB 1.114 40.137 39.000 0.038 0.000 1.266 653 F HN -0.317 nan 8.300 nan 0.000 0.444 654 I N 6.530 126.640 120.570 -0.767 0.000 2.301 654 I HA 0.280 4.449 4.170 -0.001 0.000 0.292 654 I C -2.227 173.458 176.117 -0.720 0.000 1.046 654 I CA -2.191 58.795 61.300 -0.524 0.000 1.282 654 I CB 0.601 38.413 38.000 -0.314 0.000 1.409 654 I HN 0.389 nan 8.210 nan 0.000 0.484 655 P HA 0.118 nan 4.420 nan 0.000 0.271 655 P C -0.205 177.105 177.300 0.017 0.000 1.216 655 P CA -0.279 62.857 63.100 0.060 0.000 0.776 655 P CB 0.694 32.487 31.700 0.155 0.000 0.881 656 E N 3.351 123.601 120.200 0.083 0.000 2.044 656 E HA 0.186 4.535 4.350 -0.001 0.000 0.282 656 E C -0.597 176.036 176.600 0.056 0.000 1.031 656 E CA -0.418 56.012 56.400 0.050 0.000 0.824 656 E CB 0.012 29.756 29.700 0.073 0.000 1.076 656 E HN 0.371 nan 8.360 nan 0.000 0.395 657 L N 4.377 125.609 121.223 0.015 0.000 2.417 657 L HA 0.211 4.550 4.340 -0.001 0.000 0.268 657 L C 0.073 176.930 176.870 -0.021 0.000 1.158 657 L CA -0.698 54.126 54.840 -0.026 0.000 0.819 657 L CB 0.495 42.525 42.059 -0.048 0.000 1.112 657 L HN 0.565 nan 8.230 nan 0.000 0.458 658 L N 4.751 125.947 121.223 -0.044 0.000 2.262 658 L HA 0.481 4.821 4.340 -0.001 0.000 0.288 658 L C -0.601 176.242 176.870 -0.047 0.000 1.035 658 L CA 0.408 55.243 54.840 -0.008 0.000 0.820 658 L CB 0.312 42.404 42.059 0.056 0.000 1.204 658 L HN 0.368 nan 8.230 nan 0.000 0.424 659 I N 7.782 128.326 120.570 -0.043 0.000 2.583 659 I HA 0.330 4.499 4.170 -0.001 0.000 0.276 659 I C -2.239 173.845 176.117 -0.055 0.000 1.089 659 I CA -1.389 59.871 61.300 -0.066 0.000 1.103 659 I CB 1.353 39.306 38.000 -0.077 0.000 1.209 659 I HN 0.500 nan 8.210 nan 0.000 0.484 660 P HA 0.165 nan 4.420 nan 0.000 0.274 660 P C -0.235 177.028 177.300 -0.062 0.000 1.237 660 P CA -0.213 62.862 63.100 -0.043 0.000 0.793 660 P CB 1.581 33.262 31.700 -0.031 0.000 0.977 661 V N 2.279 122.172 119.914 -0.036 0.000 2.470 661 V HA 0.006 4.125 4.120 -0.001 0.000 0.276 661 V C 0.750 176.821 176.094 -0.039 0.000 1.040 661 V CA -0.405 61.880 62.300 -0.026 0.000 1.008 661 V CB 0.694 32.520 31.823 0.005 0.000 0.990 661 V HN 0.245 nan 8.190 nan 0.000 0.477 662 V N 5.475 125.335 119.914 -0.090 0.000 2.485 662 V HA 0.220 4.339 4.120 -0.001 0.000 0.287 662 V C 1.403 177.488 176.094 -0.014 0.000 1.022 662 V CA 0.203 62.396 62.300 -0.178 0.000 1.067 662 V CB 0.116 31.598 31.823 -0.569 0.000 0.967 662 V HN 1.028 nan 8.190 nan 0.000 0.479 663 G N 3.775 112.589 108.800 0.024 0.000 2.760 663 G HA2 0.340 4.299 3.960 -0.001 0.000 0.236 663 G HA3 0.340 4.299 3.960 -0.001 0.000 0.236 663 G C 0.341 175.401 174.900 0.266 0.000 1.243 663 G CA 0.158 45.331 45.100 0.121 0.000 0.850 663 G HN 1.266 nan 8.290 nan 0.000 0.595 664 A N 0.225 123.196 122.820 0.252 0.000 2.322 664 A HA 0.653 4.973 4.320 -0.001 0.000 0.269 664 A C -0.635 177.237 177.584 0.481 0.000 1.094 664 A CA -0.443 51.779 52.037 0.307 0.000 0.807 664 A CB 0.437 19.538 19.000 0.168 0.000 1.047 664 A HN 0.431 nan 8.150 nan 0.000 0.487 665 F N 0.499 120.522 119.950 0.121 0.000 2.404 665 F HA 0.452 4.979 4.527 -0.001 0.000 0.345 665 F C 0.111 175.923 175.800 0.019 0.000 1.110 665 F CA -0.903 57.140 58.000 0.072 0.000 1.130 665 F CB 1.257 40.301 39.000 0.074 0.000 1.129 665 F HN 0.282 nan 8.300 nan 0.000 0.500 666 L N 5.596 126.896 121.223 0.127 0.000 2.301 666 L HA 0.403 4.742 4.340 -0.001 0.000 0.278 666 L C -0.447 176.424 176.870 0.001 0.000 1.022 666 L CA -0.363 54.512 54.840 0.057 0.000 0.854 666 L CB 0.724 42.804 42.059 0.035 0.000 1.226 666 L HN 0.400 nan 8.230 nan 0.000 0.429 667 L N 2.426 123.627 121.223 -0.037 0.000 2.436 667 L HA 0.337 4.677 4.340 -0.001 0.000 0.265 667 L C 0.421 177.277 176.870 -0.023 0.000 1.168 667 L CA -0.093 54.651 54.840 -0.160 0.000 0.815 667 L CB 0.922 42.625 42.059 -0.593 0.000 1.109 667 L HN 0.582 nan 8.230 nan 0.000 0.462 668 E N 0.522 120.763 120.200 0.068 0.000 2.191 668 E HA 0.327 4.676 4.350 -0.001 0.000 0.274 668 E C -1.127 175.656 176.600 0.306 0.000 0.948 668 E CA -0.541 55.944 56.400 0.142 0.000 0.802 668 E CB 1.654 31.427 29.700 0.122 0.000 1.137 668 E HN 0.538 nan 8.360 nan 0.000 0.397 669 S N 2.364 118.117 115.700 0.089 0.000 2.525 669 S HA 0.297 4.766 4.470 -0.001 0.000 0.278 669 S C -1.002 173.451 174.600 -0.246 0.000 1.234 669 S CA -0.347 57.901 58.200 0.080 0.000 1.058 669 S CB 0.348 63.541 63.200 -0.012 0.000 0.983 669 S HN 0.405 nan 8.310 nan 0.000 0.495 670 Y N 2.159 122.419 120.300 -0.068 0.000 2.473 670 Y HA 0.317 4.866 4.550 -0.001 0.000 0.345 670 Y C 0.579 176.308 175.900 -0.284 0.000 0.932 670 Y CA -0.990 57.035 58.100 -0.125 0.000 1.124 670 Y CB -0.242 38.182 38.460 -0.061 0.000 1.162 670 Y HN 0.624 nan 8.280 nan 0.000 0.629 671 I N -2.010 118.317 120.570 -0.406 0.000 2.996 671 I HA -0.138 4.031 4.170 -0.001 0.000 0.311 671 I C 0.555 176.431 176.117 -0.403 0.000 1.219 671 I CA 0.619 61.380 61.300 -0.898 0.000 1.452 671 I CB 0.656 38.203 38.000 -0.755 0.000 1.319 671 I HN 0.446 nan 8.210 nan 0.000 0.564 672 D N 1.663 121.927 120.400 -0.228 0.000 2.758 672 D HA -0.256 4.384 4.640 -0.001 0.000 0.191 672 D C 0.180 176.510 176.300 0.051 0.000 1.036 672 D CA 1.714 55.782 54.000 0.113 0.000 1.030 672 D CB -0.990 39.858 40.800 0.081 0.000 1.109 672 D HN 0.842 nan 8.370 nan 0.000 0.430 673 N N 0.560 119.256 118.700 -0.007 0.000 2.955 673 N HA 0.104 4.843 4.740 -0.001 0.000 0.242 673 N C 1.120 176.641 175.510 0.018 0.000 1.123 673 N CA -0.075 52.978 53.050 0.006 0.000 0.949 673 N CB 0.674 39.161 38.487 -0.001 0.000 1.214 673 N HN 0.217 nan 8.380 nan 0.000 0.504 674 K N 2.049 122.475 120.400 0.044 0.000 2.030 674 K HA -0.274 4.046 4.320 -0.001 0.000 0.222 674 K C 1.069 177.689 176.600 0.033 0.000 1.056 674 K CA 2.038 58.361 56.287 0.059 0.000 0.957 674 K CB 0.198 32.732 32.500 0.057 0.000 0.727 674 K HN 0.340 nan 8.250 nan 0.000 0.452 675 N N 0.658 119.359 118.700 0.002 0.000 2.007 675 N HA -0.159 4.580 4.740 -0.001 0.000 0.197 675 N C 1.356 176.820 175.510 -0.076 0.000 1.050 675 N CA 1.536 54.574 53.050 -0.019 0.000 0.856 675 N CB -0.170 38.298 38.487 -0.032 0.000 1.050 675 N HN 0.184 nan 8.380 nan 0.000 0.423 676 K N -0.015 120.269 120.400 -0.194 0.000 2.520 676 K HA -0.057 4.262 4.320 -0.001 0.000 0.197 676 K C 1.274 177.598 176.600 -0.460 0.000 1.044 676 K CA 0.659 56.649 56.287 -0.495 0.000 0.938 676 K CB -0.118 31.974 32.500 -0.680 0.000 0.767 676 K HN 0.326 nan 8.250 nan 0.000 0.481 677 I N -0.523 120.010 120.570 -0.063 0.000 3.339 677 I HA -0.093 4.077 4.170 -0.001 0.000 0.285 677 I C 1.846 178.074 176.117 0.185 0.000 1.201 677 I CA 0.250 61.645 61.300 0.157 0.000 1.434 677 I CB 0.113 38.202 38.000 0.149 0.000 1.152 677 I HN 0.025 nan 8.210 nan 0.000 0.443 678 I N 1.232 121.864 120.570 0.104 0.000 2.252 678 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 678 I C 2.337 178.511 176.117 0.095 0.000 1.102 678 I CA 1.463 62.834 61.300 0.118 0.000 1.385 678 I CB -0.308 37.751 38.000 0.098 0.000 1.064 678 I HN 0.161 nan 8.210 nan 0.000 0.414 679 K N 0.358 120.789 120.400 0.052 0.000 2.063 679 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 679 K C 1.958 178.577 176.600 0.031 0.000 1.048 679 K CA 1.804 58.115 56.287 0.041 0.000 0.928 679 K CB -0.367 32.168 32.500 0.058 0.000 0.713 679 K HN 0.270 nan 8.250 nan 0.000 0.442 680 T N 1.379 115.955 114.554 0.035 0.000 2.977 680 T HA -0.045 4.304 4.350 -0.001 0.000 0.271 680 T C 1.753 176.458 174.700 0.008 0.000 1.105 680 T CA 0.847 62.963 62.100 0.028 0.000 1.116 680 T CB -0.062 68.864 68.868 0.098 0.000 0.878 680 T HN 0.153 nan 8.240 nan 0.000 0.509 681 I N 0.675 121.292 120.570 0.078 0.000 2.368 681 I HA -0.055 4.114 4.170 -0.001 0.000 0.238 681 I C 2.266 178.422 176.117 0.065 0.000 1.076 681 I CA 0.854 62.202 61.300 0.080 0.000 1.397 681 I CB -0.185 37.901 38.000 0.143 0.000 1.141 681 I HN 0.097 nan 8.210 nan 0.000 0.430 682 D N 1.176 121.615 120.400 0.065 0.000 2.203 682 D HA -0.211 4.428 4.640 -0.001 0.000 0.199 682 D C 1.611 177.944 176.300 0.054 0.000 0.997 682 D CA 1.523 55.556 54.000 0.055 0.000 0.863 682 D CB -0.429 40.404 40.800 0.055 0.000 0.928 682 D HN 0.515 nan 8.370 nan 0.000 0.458 683 N N 0.438 119.163 118.700 0.042 0.000 2.250 683 N HA -0.042 4.698 4.740 -0.001 0.000 0.181 683 N C 1.942 177.496 175.510 0.074 0.000 1.017 683 N CA 0.575 53.642 53.050 0.029 0.000 0.866 683 N CB 0.073 38.548 38.487 -0.020 0.000 0.985 683 N HN 0.049 nan 8.380 nan 0.000 0.429 684 A N 1.356 124.240 122.820 0.107 0.000 1.969 684 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 684 A C 2.130 179.905 177.584 0.319 0.000 1.169 684 A CA 0.832 53.031 52.037 0.270 0.000 0.635 684 A CB -0.494 18.656 19.000 0.249 0.000 0.810 684 A HN 0.149 nan 8.150 nan 0.000 0.445 685 L N -0.265 121.060 121.223 0.169 0.000 2.005 685 L HA -0.169 4.170 4.340 -0.001 0.000 0.207 685 L C 3.136 180.101 176.870 0.158 0.000 1.072 685 L CA 1.959 56.878 54.840 0.131 0.000 0.744 685 L CB -1.000 41.100 42.059 0.068 0.000 0.895 685 L HN 0.638 nan 8.230 nan 0.000 0.433 686 T N -2.361 112.272 114.554 0.132 0.000 2.788 686 T HA -0.243 4.107 4.350 -0.001 0.000 0.268 686 T C 1.853 176.656 174.700 0.171 0.000 1.044 686 T CA 1.393 63.571 62.100 0.130 0.000 1.139 686 T CB -0.242 68.680 68.868 0.090 0.000 0.867 686 T HN -0.009 nan 8.240 nan 0.000 0.454 687 K N 1.521 122.037 120.400 0.193 0.000 2.209 687 K HA 0.028 4.348 4.320 -0.001 0.000 0.204 687 K C 2.474 179.324 176.600 0.417 0.000 1.048 687 K CA 0.796 57.212 56.287 0.214 0.000 0.940 687 K CB -0.456 32.107 32.500 0.105 0.000 0.729 687 K HN 0.350 nan 8.250 nan 0.000 0.451 688 R N 0.759 121.543 120.500 0.473 0.000 2.075 688 R HA -0.042 4.298 4.340 -0.001 0.000 0.232 688 R C 1.316 177.879 176.300 0.438 0.000 1.126 688 R CA 1.488 57.879 56.100 0.485 0.000 0.963 688 R CB -0.564 29.962 30.300 0.377 0.000 0.858 688 R HN 0.327 nan 8.270 nan 0.000 0.435 689 N N 1.186 120.068 118.700 0.302 0.000 2.223 689 N HA -0.200 4.540 4.740 -0.001 0.000 0.185 689 N C 1.663 177.380 175.510 0.346 0.000 1.016 689 N CA 1.268 54.473 53.050 0.258 0.000 0.863 689 N CB -0.137 38.455 38.487 0.176 0.000 0.983 689 N HN 0.495 nan 8.380 nan 0.000 0.429 690 E N 1.311 121.697 120.200 0.310 0.000 2.077 690 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 690 E C 1.416 178.136 176.600 0.199 0.000 0.989 690 E CA 0.963 57.517 56.400 0.256 0.000 0.800 690 E CB 0.237 29.921 29.700 -0.027 0.000 0.746 690 E HN 0.076 nan 8.360 nan 0.000 0.452 691 K N 0.011 120.495 120.400 0.140 0.000 2.097 691 K HA -0.167 4.153 4.320 -0.001 0.000 0.206 691 K C 1.740 178.286 176.600 -0.090 0.000 1.049 691 K CA 1.055 57.313 56.287 -0.048 0.000 0.933 691 K CB -0.540 31.777 32.500 -0.305 0.000 0.717 691 K HN 0.318 nan 8.250 nan 0.000 0.442 692 W N 1.455 122.687 121.300 -0.114 0.000 2.353 692 W HA -0.153 4.506 4.660 -0.001 0.000 0.319 692 W C 2.882 179.231 176.519 -0.285 0.000 1.207 692 W CA 1.961 59.152 57.345 -0.256 0.000 1.291 692 W CB -1.085 28.265 29.460 -0.183 0.000 1.159 692 W HN 0.081 nan 8.180 nan 0.000 0.478 693 S N 0.010 115.862 115.700 0.253 0.000 2.374 693 S HA -0.240 4.230 4.470 -0.001 0.000 0.227 693 S C 1.524 176.367 174.600 0.405 0.000 1.037 693 S CA 2.184 60.629 58.200 0.408 0.000 1.024 693 S CB -0.578 62.865 63.200 0.405 0.000 0.861 693 S HN 0.146 nan 8.310 nan 0.000 0.456 694 D N 0.376 120.929 120.400 0.255 0.000 2.178 694 D HA -0.038 4.602 4.640 -0.001 0.000 0.202 694 D C 1.800 178.147 176.300 0.078 0.000 0.974 694 D CA 0.986 55.099 54.000 0.189 0.000 0.841 694 D CB -0.317 40.546 40.800 0.106 0.000 0.953 694 D HN 0.408 nan 8.370 nan 0.000 0.478 695 M N -0.841 118.732 119.600 -0.044 0.000 2.156 695 M HA -0.082 4.397 4.480 -0.001 0.000 0.264 695 M C 1.608 177.882 176.300 -0.044 0.000 1.067 695 M CA 1.452 56.677 55.300 -0.125 0.000 1.131 695 M CB -0.693 31.722 32.600 -0.309 0.000 1.368 695 M HN 0.142 nan 8.290 nan 0.000 0.416 696 Y N -0.680 119.563 120.300 -0.095 0.000 2.165 696 Y HA -0.171 4.378 4.550 -0.001 0.000 0.286 696 Y C 2.317 177.911 175.900 -0.511 0.000 1.155 696 Y CA 0.562 58.493 58.100 -0.283 0.000 1.164 696 Y CB -0.748 37.677 38.460 -0.058 0.000 0.978 696 Y HN 0.424 nan 8.280 nan 0.000 0.513 697 G N 0.118 108.771 108.800 -0.245 0.000 2.422 697 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 697 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 697 G C 1.509 176.387 174.900 -0.036 0.000 1.146 697 G CA 0.903 45.900 45.100 -0.172 0.000 0.769 697 G HN 0.296 nan 8.290 nan 0.000 0.547 698 L N 0.671 121.885 121.223 -0.015 0.000 2.083 698 L HA 0.014 4.353 4.340 -0.001 0.000 0.209 698 L C 2.478 179.275 176.870 -0.123 0.000 1.083 698 L CA 1.256 56.079 54.840 -0.028 0.000 0.752 698 L CB -0.302 41.738 42.059 -0.031 0.000 0.899 698 L HN 0.094 nan 8.230 nan 0.000 0.433 699 I N -1.211 119.273 120.570 -0.144 0.000 2.163 699 I HA -0.197 3.972 4.170 -0.001 0.000 0.240 699 I C 2.562 178.614 176.117 -0.107 0.000 1.081 699 I CA 1.195 62.391 61.300 -0.174 0.000 1.353 699 I CB -1.310 36.540 38.000 -0.250 0.000 1.054 699 I HN 0.074 nan 8.210 nan 0.000 0.407 700 V N 1.694 121.534 119.914 -0.123 0.000 2.282 700 V HA -0.318 3.801 4.120 -0.001 0.000 0.249 700 V C 2.864 179.055 176.094 0.162 0.000 1.057 700 V CA 2.075 64.420 62.300 0.074 0.000 1.032 700 V CB -1.286 30.544 31.823 0.011 0.000 0.645 700 V HN 0.488 nan 8.190 nan 0.000 0.447 701 A N -1.044 121.829 122.820 0.089 0.000 1.933 701 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 701 A C 2.188 179.821 177.584 0.083 0.000 1.175 701 A CA 1.968 54.091 52.037 0.144 0.000 0.628 701 A CB -0.433 18.698 19.000 0.219 0.000 0.814 701 A HN 0.664 nan 8.150 nan 0.000 0.444 702 Q N -2.240 117.469 119.800 -0.151 0.000 2.123 702 Q HA -0.185 4.155 4.340 -0.001 0.000 0.199 702 Q C 1.935 177.935 176.000 0.001 0.000 0.966 702 Q CA 1.363 56.971 55.803 -0.325 0.000 0.845 702 Q CB -0.266 28.137 28.738 -0.559 0.000 0.907 702 Q HN 0.901 nan 8.270 nan 0.000 0.439 703 W N 1.737 122.982 121.300 -0.092 0.000 2.335 703 W HA -0.177 4.478 4.660 -0.007 0.000 0.311 703 W C 1.489 178.019 176.519 0.020 0.000 1.213 703 W CA 1.318 58.654 57.345 -0.015 0.000 1.274 703 W CB -0.443 29.013 29.460 -0.007 0.000 1.148 703 W HN 0.017 nan 8.180 nan 0.000 0.498 704 L N 0.829 121.947 121.223 -0.174 0.000 2.083 704 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 704 L C 2.635 179.359 176.870 -0.244 0.000 1.083 704 L CA 1.891 56.518 54.840 -0.354 0.000 0.752 704 L CB -1.063 40.904 42.059 -0.154 0.000 0.899 704 L HN 0.154 nan 8.230 nan 0.000 0.433 705 S N -2.873 112.770 115.700 -0.095 0.000 2.556 705 S HA -0.001 4.469 4.470 -0.001 0.000 0.216 705 S C 1.461 176.084 174.600 0.040 0.000 0.970 705 S CA 0.422 58.576 58.200 -0.077 0.000 0.912 705 S CB 0.013 63.253 63.200 0.067 0.000 0.790 705 S HN 0.519 nan 8.310 nan 0.000 0.504 706 T N -2.617 111.949 114.554 0.020 0.000 2.980 706 T HA 0.340 4.689 4.350 -0.001 0.000 0.252 706 T C 1.280 175.961 174.700 -0.031 0.000 0.962 706 T CA 0.511 62.636 62.100 0.042 0.000 0.932 706 T CB 0.015 68.939 68.868 0.093 0.000 1.188 706 T HN 0.140 nan 8.240 nan 0.000 0.500 707 V N 1.594 121.453 119.914 -0.091 0.000 2.854 707 V HA 0.272 4.392 4.120 -0.001 0.000 0.236 707 V C 2.423 178.410 176.094 -0.178 0.000 1.157 707 V CA 1.000 63.190 62.300 -0.183 0.000 1.187 707 V CB -0.497 31.306 31.823 -0.033 0.000 0.949 707 V HN 0.395 nan 8.190 nan 0.000 0.488 708 N N 0.908 119.443 118.700 -0.274 0.000 2.364 708 N HA -0.161 4.578 4.740 -0.001 0.000 0.183 708 N C 1.782 177.271 175.510 -0.035 0.000 1.022 708 N CA 1.790 54.716 53.050 -0.207 0.000 0.883 708 N CB -0.017 38.049 38.487 -0.701 0.000 0.965 708 N HN 0.682 nan 8.380 nan 0.000 0.438 709 T N -2.364 112.159 114.554 -0.053 0.000 2.812 709 T HA -0.111 4.238 4.350 -0.001 0.000 0.264 709 T C 1.714 176.531 174.700 0.194 0.000 1.042 709 T CA 0.902 63.046 62.100 0.073 0.000 1.140 709 T CB -0.447 68.473 68.868 0.087 0.000 0.870 709 T HN 0.226 nan 8.240 nan 0.000 0.445 710 Q N 0.271 120.143 119.800 0.120 0.000 2.084 710 Q HA 0.003 4.342 4.340 -0.001 0.000 0.202 710 Q C 2.086 178.167 176.000 0.135 0.000 0.978 710 Q CA 1.508 57.430 55.803 0.197 0.000 0.844 710 Q CB -0.442 28.236 28.738 -0.100 0.000 0.898 710 Q HN 0.605 nan 8.270 nan 0.000 0.426 711 F N -0.853 119.176 119.950 0.132 0.000 2.293 711 F HA -0.214 4.307 4.527 -0.011 0.000 0.300 711 F C 2.179 178.037 175.800 0.096 0.000 1.086 711 F CA 0.545 58.602 58.000 0.094 0.000 1.375 711 F CB -0.077 38.959 39.000 0.060 0.000 1.045 711 F HN 0.148 nan 8.300 nan 0.000 0.516 712 Y N 1.089 121.494 120.300 0.176 0.000 2.133 712 Y HA -0.229 4.320 4.550 -0.002 0.000 0.287 712 Y C 2.481 178.417 175.900 0.060 0.000 1.134 712 Y CA 2.022 60.179 58.100 0.096 0.000 1.133 712 Y CB -1.000 37.492 38.460 0.054 0.000 0.987 712 Y HN -0.125 nan 8.280 nan 0.000 0.502 713 T N 1.345 115.896 114.554 -0.004 0.000 2.778 713 T HA -0.210 4.139 4.350 -0.001 0.000 0.269 713 T C 1.946 176.526 174.700 -0.200 0.000 1.050 713 T CA 2.045 64.014 62.100 -0.219 0.000 1.137 713 T CB -0.438 68.165 68.868 -0.442 0.000 0.860 713 T HN 0.384 nan 8.240 nan 0.000 0.468 714 I N 0.224 120.786 120.570 -0.014 0.000 2.406 714 I HA -0.093 4.077 4.170 -0.001 0.000 0.249 714 I C 2.499 178.616 176.117 -0.000 0.000 1.122 714 I CA 1.050 62.376 61.300 0.042 0.000 1.431 714 I CB -0.190 37.926 38.000 0.194 0.000 1.087 714 I HN 0.158 nan 8.210 nan 0.000 0.424 715 K N 0.501 120.887 120.400 -0.024 0.000 2.026 715 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 715 K C 2.056 178.607 176.600 -0.081 0.000 1.048 715 K CA 1.140 57.404 56.287 -0.037 0.000 0.929 715 K CB -0.124 32.346 32.500 -0.050 0.000 0.713 715 K HN 0.208 nan 8.250 nan 0.000 0.439 716 E N 0.309 120.371 120.200 -0.229 0.000 2.051 716 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 716 E C 2.237 178.819 176.600 -0.030 0.000 0.991 716 E CA 1.344 57.642 56.400 -0.169 0.000 0.799 716 E CB -0.586 28.931 29.700 -0.306 0.000 0.748 716 E HN 0.451 nan 8.360 nan 0.000 0.449 717 G N 1.159 109.919 108.800 -0.067 0.000 2.469 717 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.219 717 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.219 717 G C 1.515 176.424 174.900 0.015 0.000 1.150 717 G CA 1.138 46.225 45.100 -0.022 0.000 0.763 717 G HN 0.147 nan 8.290 nan 0.000 0.561 718 M N -0.905 118.703 119.600 0.014 0.000 2.319 718 M HA 0.087 4.566 4.480 -0.001 0.000 0.265 718 M C 2.216 178.569 176.300 0.088 0.000 1.068 718 M CA 0.482 55.800 55.300 0.030 0.000 1.118 718 M CB -0.873 31.751 32.600 0.040 0.000 1.395 718 M HN 0.417 nan 8.290 nan 0.000 0.435 719 Y N 1.416 121.699 120.300 -0.028 0.000 2.220 719 Y HA -0.119 4.429 4.550 -0.003 0.000 0.291 719 Y C 2.199 178.053 175.900 -0.077 0.000 1.129 719 Y CA 1.657 59.738 58.100 -0.031 0.000 1.161 719 Y CB -0.094 38.335 38.460 -0.051 0.000 0.997 719 Y HN 0.113 nan 8.280 nan 0.000 0.522 720 K N -0.090 120.266 120.400 -0.074 0.000 2.097 720 K HA -0.154 4.166 4.320 -0.001 0.000 0.206 720 K C 2.284 178.700 176.600 -0.307 0.000 1.049 720 K CA 1.059 57.163 56.287 -0.306 0.000 0.933 720 K CB -0.348 32.065 32.500 -0.144 0.000 0.717 720 K HN 0.396 nan 8.250 nan 0.000 0.442 721 A N 1.622 124.446 122.820 0.006 0.000 1.877 721 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 721 A C 2.158 179.860 177.584 0.198 0.000 1.186 721 A CA 1.177 53.347 52.037 0.222 0.000 0.620 721 A CB -0.626 18.462 19.000 0.148 0.000 0.822 721 A HN 0.145 nan 8.150 nan 0.000 0.443 722 L N -0.330 120.943 121.223 0.084 0.000 2.083 722 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 722 L C 2.552 179.427 176.870 0.008 0.000 1.083 722 L CA 1.276 56.161 54.840 0.076 0.000 0.752 722 L CB -0.653 41.447 42.059 0.069 0.000 0.899 722 L HN 0.483 nan 8.230 nan 0.000 0.433 723 N N -0.226 118.331 118.700 -0.238 0.000 2.058 723 N HA -0.226 4.514 4.740 -0.001 0.000 0.191 723 N C 1.991 177.419 175.510 -0.138 0.000 1.037 723 N CA 1.650 54.502 53.050 -0.330 0.000 0.848 723 N CB -0.221 37.913 38.487 -0.589 0.000 1.021 723 N HN 0.365 nan 8.380 nan 0.000 0.422 724 Y N 1.296 121.570 120.300 -0.045 0.000 2.241 724 Y HA -0.194 4.354 4.550 -0.003 0.000 0.286 724 Y C 2.689 178.623 175.900 0.056 0.000 1.166 724 Y CA 0.663 58.768 58.100 0.009 0.000 1.203 724 Y CB 0.130 38.614 38.460 0.039 0.000 0.977 724 Y HN 0.139 nan 8.280 nan 0.000 0.529 725 Q N -0.310 119.608 119.800 0.196 0.000 2.083 725 Q HA -0.102 4.238 4.340 -0.001 0.000 0.198 725 Q C 2.597 178.783 176.000 0.311 0.000 0.969 725 Q CA 1.221 57.129 55.803 0.175 0.000 0.838 725 Q CB -0.606 28.075 28.738 -0.095 0.000 0.900 725 Q HN 0.512 nan 8.270 nan 0.000 0.436 726 A N 0.982 123.930 122.820 0.213 0.000 1.873 726 A HA -0.224 4.096 4.320 -0.001 0.000 0.215 726 A C 2.129 179.751 177.584 0.063 0.000 1.186 726 A CA 1.528 53.496 52.037 -0.115 0.000 0.616 726 A CB -0.520 18.383 19.000 -0.162 0.000 0.823 726 A HN 0.361 nan 8.150 nan 0.000 0.442 727 Q N -0.547 119.314 119.800 0.102 0.000 2.061 727 Q HA -0.130 4.209 4.340 -0.001 0.000 0.204 727 Q C 2.423 178.619 176.000 0.328 0.000 0.984 727 Q CA 1.664 57.593 55.803 0.210 0.000 0.846 727 Q CB -0.426 28.404 28.738 0.154 0.000 0.902 727 Q HN 0.686 nan 8.270 nan 0.000 0.421 728 A N 0.608 123.633 122.820 0.341 0.000 1.902 728 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 728 A C 2.037 179.728 177.584 0.180 0.000 1.181 728 A CA 1.276 53.499 52.037 0.310 0.000 0.623 728 A CB -0.715 18.436 19.000 0.252 0.000 0.818 728 A HN 0.362 nan 8.150 nan 0.000 0.443 729 L N 0.055 121.383 121.223 0.176 0.000 1.989 729 L HA -0.186 4.153 4.340 -0.001 0.000 0.211 729 L C 2.302 179.260 176.870 0.147 0.000 1.071 729 L CA 2.811 57.731 54.840 0.133 0.000 0.749 729 L CB -0.759 41.339 42.059 0.065 0.000 0.890 729 L HN 0.589 nan 8.230 nan 0.000 0.431 730 E N -0.870 119.434 120.200 0.173 0.000 2.118 730 E HA -0.305 4.044 4.350 -0.001 0.000 0.195 730 E C 2.079 178.846 176.600 0.277 0.000 0.992 730 E CA 1.301 57.846 56.400 0.242 0.000 0.804 730 E CB -0.102 29.777 29.700 0.299 0.000 0.741 730 E HN 0.534 nan 8.360 nan 0.000 0.458 731 E N 0.474 120.821 120.200 0.245 0.000 2.110 731 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 731 E C 1.803 178.504 176.600 0.168 0.000 0.988 731 E CA 1.361 57.877 56.400 0.193 0.000 0.804 731 E CB -0.198 29.557 29.700 0.091 0.000 0.745 731 E HN 0.431 nan 8.360 nan 0.000 0.458 732 I N -0.090 120.574 120.570 0.157 0.000 2.202 732 I HA -0.216 3.954 4.170 -0.001 0.000 0.242 732 I C 2.271 178.610 176.117 0.370 0.000 1.091 732 I CA 0.840 62.262 61.300 0.204 0.000 1.368 732 I CB -0.239 37.873 38.000 0.186 0.000 1.058 732 I HN 0.122 nan 8.210 nan 0.000 0.410 733 I N 0.804 121.623 120.570 0.416 0.000 2.208 733 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 733 I C 2.490 178.961 176.117 0.591 0.000 1.097 733 I CA 1.571 63.206 61.300 0.559 0.000 1.363 733 I CB -0.383 37.825 38.000 0.348 0.000 1.051 733 I HN 0.190 nan 8.210 nan 0.000 0.413 734 K N -0.149 120.546 120.400 0.490 0.000 2.057 734 K HA -0.216 4.104 4.320 -0.001 0.000 0.206 734 K C 2.221 178.993 176.600 0.286 0.000 1.050 734 K CA 1.484 58.026 56.287 0.425 0.000 0.935 734 K CB -0.398 32.254 32.500 0.253 0.000 0.715 734 K HN 0.238 nan 8.250 nan 0.000 0.439 735 Y N 2.211 122.589 120.300 0.131 0.000 2.165 735 Y HA -0.231 4.318 4.550 -0.001 0.000 0.286 735 Y C 2.148 178.004 175.900 -0.073 0.000 1.155 735 Y CA 1.477 59.587 58.100 0.017 0.000 1.164 735 Y CB 0.111 38.562 38.460 -0.014 0.000 0.978 735 Y HN -0.081 nan 8.280 nan 0.000 0.513 736 R N -0.729 119.754 120.500 -0.028 0.000 2.081 736 R HA -0.208 4.131 4.340 -0.001 0.000 0.235 736 R C 2.129 177.948 176.300 -0.801 0.000 1.131 736 R CA 1.680 57.568 56.100 -0.355 0.000 0.960 736 R CB -1.718 28.544 30.300 -0.064 0.000 0.856 736 R HN 0.518 nan 8.270 nan 0.000 0.436 737 Y N 2.606 122.537 120.300 -0.615 0.000 2.181 737 Y HA -0.145 4.404 4.550 -0.001 0.000 0.288 737 Y C 1.477 177.134 175.900 -0.406 0.000 1.146 737 Y CA 1.476 59.238 58.100 -0.563 0.000 1.164 737 Y CB -0.337 38.118 38.460 -0.007 0.000 0.982 737 Y HN 0.042 nan 8.280 nan 0.000 0.515 738 N N 0.280 118.771 118.700 -0.348 0.000 2.521 738 N HA -0.066 4.673 4.740 -0.001 0.000 0.188 738 N C 1.517 176.743 175.510 -0.474 0.000 1.146 738 N CA 0.664 53.484 53.050 -0.384 0.000 0.893 738 N CB 0.016 38.375 38.487 -0.214 0.000 0.975 738 N HN 0.417 nan 8.380 nan 0.000 0.451 739 I N 0.078 120.247 120.570 -0.667 0.000 2.716 739 I HA -0.074 4.096 4.170 -0.001 0.000 0.259 739 I C 0.764 176.617 176.117 -0.440 0.000 1.172 739 I CA 0.318 61.254 61.300 -0.606 0.000 1.478 739 I CB -0.661 36.901 38.000 -0.729 0.000 1.104 739 I HN 0.032 nan 8.210 nan 0.000 0.439 740 Y N 1.756 121.826 120.300 -0.383 0.000 2.385 740 Y HA 0.032 4.581 4.550 -0.001 0.000 0.346 740 Y C 1.571 177.296 175.900 -0.292 0.000 1.270 740 Y CA -0.694 57.204 58.100 -0.336 0.000 1.472 740 Y CB 0.443 38.657 38.460 -0.411 0.000 1.354 740 Y HN 0.046 nan 8.280 nan 0.000 0.611 741 S N 0.261 115.943 115.700 -0.030 0.000 2.617 741 S HA 0.094 4.564 4.470 -0.001 0.000 0.269 741 S C 0.708 175.245 174.600 -0.105 0.000 1.292 741 S CA -0.898 57.255 58.200 -0.079 0.000 1.010 741 S CB 1.320 64.484 63.200 -0.060 0.000 0.944 741 S HN 0.657 nan 8.310 nan 0.000 0.536 742 E N 0.892 121.034 120.200 -0.097 0.000 2.160 742 E HA -0.127 4.223 4.350 -0.001 0.000 0.195 742 E C 1.630 178.191 176.600 -0.066 0.000 0.991 742 E CA 0.796 57.143 56.400 -0.088 0.000 0.810 742 E CB -0.208 29.456 29.700 -0.061 0.000 0.742 742 E HN 0.585 nan 8.360 nan 0.000 0.466 743 K N 1.347 121.711 120.400 -0.060 0.000 2.057 743 K HA -0.124 4.196 4.320 -0.001 0.000 0.206 743 K C 1.820 178.382 176.600 -0.063 0.000 1.050 743 K CA 1.076 57.334 56.287 -0.049 0.000 0.935 743 K CB 0.035 32.508 32.500 -0.045 0.000 0.715 743 K HN 0.201 nan 8.250 nan 0.000 0.439 744 E N 0.325 120.470 120.200 -0.092 0.000 2.047 744 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 744 E C 2.086 178.610 176.600 -0.128 0.000 0.987 744 E CA 1.040 57.355 56.400 -0.142 0.000 0.799 744 E CB -0.010 29.560 29.700 -0.217 0.000 0.752 744 E HN 0.239 nan 8.360 nan 0.000 0.449 745 K N 0.651 120.974 120.400 -0.128 0.000 2.089 745 K HA -0.160 4.160 4.320 -0.001 0.000 0.210 745 K C 2.337 178.983 176.600 0.076 0.000 1.048 745 K CA 1.504 57.746 56.287 -0.075 0.000 0.926 745 K CB -0.145 32.212 32.500 -0.238 0.000 0.714 745 K HN -0.048 nan 8.250 nan 0.000 0.448 746 S N 1.143 116.857 115.700 0.023 0.000 2.400 746 S HA -0.077 4.392 4.470 -0.001 0.000 0.232 746 S C 1.182 175.808 174.600 0.043 0.000 1.025 746 S CA 1.021 59.247 58.200 0.043 0.000 0.993 746 S CB -0.124 63.084 63.200 0.013 0.000 0.808 746 S HN 0.314 nan 8.310 nan 0.000 0.478 747 N N 0.667 119.378 118.700 0.018 0.000 2.276 747 N HA 0.282 5.021 4.740 -0.001 0.000 0.212 747 N C -0.508 175.022 175.510 0.033 0.000 1.127 747 N CA 0.136 53.195 53.050 0.014 0.000 0.834 747 N CB 0.386 38.863 38.487 -0.016 0.000 1.014 747 N HN 0.378 nan 8.380 nan 0.000 0.491 748 I N 1.205 121.827 120.570 0.087 0.000 2.321 748 I HA 0.096 4.265 4.170 -0.001 0.000 0.291 748 I C 0.174 176.380 176.117 0.149 0.000 0.998 748 I CA -0.665 60.725 61.300 0.151 0.000 1.227 748 I CB 1.076 39.253 38.000 0.294 0.000 1.368 748 I HN -0.197 nan 8.210 nan 0.000 0.466 749 N N 8.146 126.907 118.700 0.102 0.000 2.448 749 N HA 0.290 5.029 4.740 -0.001 0.000 0.250 749 N C -1.140 174.388 175.510 0.031 0.000 1.136 749 N CA 0.109 53.193 53.050 0.056 0.000 0.953 749 N CB 0.196 38.699 38.487 0.027 0.000 1.251 749 N HN 0.327 nan 8.380 nan 0.000 0.502 750 I N 1.658 122.238 120.570 0.017 0.000 2.533 750 I HA 0.237 4.406 4.170 -0.001 0.000 0.290 750 I C -0.688 175.377 176.117 -0.087 0.000 1.056 750 I CA -0.566 60.683 61.300 -0.085 0.000 1.057 750 I CB 2.101 40.014 38.000 -0.145 0.000 1.240 750 I HN 0.344 nan 8.210 nan 0.000 0.423 751 D N 6.063 126.372 120.400 -0.151 0.000 2.408 751 D HA 0.226 4.865 4.640 -0.001 0.000 0.261 751 D C 0.534 176.753 176.300 -0.136 0.000 1.190 751 D CA -0.397 53.554 54.000 -0.082 0.000 0.910 751 D CB 0.727 41.491 40.800 -0.060 0.000 1.097 751 D HN 0.261 nan 8.370 nan 0.000 0.522 752 F N 1.651 121.526 119.950 -0.125 0.000 2.494 752 F HA -0.070 4.456 4.527 -0.002 0.000 0.298 752 F C 2.009 177.705 175.800 -0.173 0.000 1.106 752 F CA 0.711 58.615 58.000 -0.159 0.000 1.452 752 F CB 0.146 39.047 39.000 -0.166 0.000 1.085 752 F HN 0.312 nan 8.300 nan 0.000 0.569 753 N N -0.578 118.135 118.700 0.022 0.000 2.373 753 N HA -0.088 4.651 4.740 -0.001 0.000 0.181 753 N C 1.285 176.767 175.510 -0.047 0.000 1.082 753 N CA 0.735 53.772 53.050 -0.021 0.000 0.885 753 N CB -0.034 38.452 38.487 -0.003 0.000 0.977 753 N HN 0.321 nan 8.380 nan 0.000 0.462 754 D N 1.104 121.462 120.400 -0.070 0.000 2.197 754 D HA 0.126 4.765 4.640 -0.001 0.000 0.212 754 D C 2.046 178.283 176.300 -0.106 0.000 0.963 754 D CA 0.289 54.243 54.000 -0.076 0.000 0.864 754 D CB 0.217 40.967 40.800 -0.085 0.000 1.009 754 D HN 0.001 nan 8.370 nan 0.000 0.479 755 I N 0.608 121.076 120.570 -0.170 0.000 2.069 755 I HA -0.336 3.834 4.170 -0.001 0.000 0.237 755 I C 1.907 177.933 176.117 -0.151 0.000 1.053 755 I CA 1.341 62.516 61.300 -0.209 0.000 1.311 755 I CB -0.573 37.221 38.000 -0.342 0.000 1.030 755 I HN 0.045 nan 8.210 nan 0.000 0.398 756 N N 0.369 118.961 118.700 -0.180 0.000 2.149 756 N HA -0.190 4.550 4.740 -0.001 0.000 0.188 756 N C 1.950 177.468 175.510 0.014 0.000 1.019 756 N CA 1.580 54.521 53.050 -0.181 0.000 0.857 756 N CB -0.430 37.744 38.487 -0.521 0.000 0.997 756 N HN 0.286 nan 8.380 nan 0.000 0.426 757 S N 0.564 116.257 115.700 -0.012 0.000 2.348 757 S HA -0.078 4.391 4.470 -0.001 0.000 0.221 757 S C 1.656 176.279 174.600 0.039 0.000 1.033 757 S CA 1.124 59.343 58.200 0.031 0.000 1.010 757 S CB -0.053 63.151 63.200 0.007 0.000 0.891 757 S HN 0.228 nan 8.310 nan 0.000 0.442 758 K N 0.544 120.947 120.400 0.004 0.000 2.097 758 K HA 0.009 4.328 4.320 -0.001 0.000 0.206 758 K C 2.134 178.761 176.600 0.046 0.000 1.049 758 K CA 1.313 57.608 56.287 0.012 0.000 0.933 758 K CB -0.349 32.137 32.500 -0.024 0.000 0.717 758 K HN 0.395 nan 8.250 nan 0.000 0.442 759 L N 1.038 122.276 121.223 0.026 0.000 2.093 759 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 759 L C 2.316 179.266 176.870 0.134 0.000 1.085 759 L CA 0.891 55.744 54.840 0.022 0.000 0.755 759 L CB -0.449 41.552 42.059 -0.096 0.000 0.904 759 L HN 0.298 nan 8.230 nan 0.000 0.435 760 N N 0.032 118.824 118.700 0.153 0.000 2.188 760 N HA -0.208 4.532 4.740 -0.001 0.000 0.184 760 N C 1.826 177.417 175.510 0.135 0.000 1.018 760 N CA 1.134 54.278 53.050 0.156 0.000 0.858 760 N CB 0.200 38.795 38.487 0.180 0.000 0.989 760 N HN 0.255 nan 8.380 nan 0.000 0.426 761 E N 0.355 120.622 120.200 0.112 0.000 2.150 761 E HA -0.038 4.311 4.350 -0.001 0.000 0.193 761 E C 1.764 178.426 176.600 0.104 0.000 0.985 761 E CA 1.353 57.809 56.400 0.094 0.000 0.814 761 E CB -0.713 29.026 29.700 0.066 0.000 0.752 761 E HN 0.344 nan 8.360 nan 0.000 0.466 762 G N 0.381 109.260 108.800 0.132 0.000 2.421 762 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.217 762 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.217 762 G C 1.692 176.688 174.900 0.161 0.000 1.143 762 G CA 0.683 45.868 45.100 0.142 0.000 0.784 762 G HN 0.309 nan 8.290 nan 0.000 0.541 763 I N 0.916 121.607 120.570 0.202 0.000 2.233 763 I HA -0.126 4.043 4.170 -0.001 0.000 0.243 763 I C 2.402 178.623 176.117 0.173 0.000 1.093 763 I CA 0.659 62.073 61.300 0.190 0.000 1.380 763 I CB -0.198 37.897 38.000 0.159 0.000 1.067 763 I HN 0.048 nan 8.210 nan 0.000 0.413 764 N N 0.901 119.698 118.700 0.161 0.000 2.149 764 N HA -0.223 4.516 4.740 -0.001 0.000 0.188 764 N C 1.812 177.395 175.510 0.121 0.000 1.019 764 N CA 1.348 54.488 53.050 0.151 0.000 0.857 764 N CB -0.336 38.227 38.487 0.126 0.000 0.997 764 N HN 0.492 nan 8.380 nan 0.000 0.426 765 Q N 0.173 120.035 119.800 0.103 0.000 2.079 765 Q HA 0.075 4.415 4.340 -0.001 0.000 0.200 765 Q C 2.126 178.176 176.000 0.084 0.000 0.974 765 Q CA 1.364 57.215 55.803 0.079 0.000 0.840 765 Q CB -0.119 28.654 28.738 0.059 0.000 0.898 765 Q HN 0.395 nan 8.270 nan 0.000 0.430 766 A N 1.093 123.979 122.820 0.109 0.000 1.902 766 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 766 A C 1.998 179.662 177.584 0.133 0.000 1.181 766 A CA 1.057 53.173 52.037 0.131 0.000 0.623 766 A CB -0.457 18.657 19.000 0.191 0.000 0.818 766 A HN 0.243 nan 8.150 nan 0.000 0.443 767 I N 0.589 121.252 120.570 0.156 0.000 2.286 767 I HA -0.199 3.970 4.170 -0.001 0.000 0.248 767 I C 1.651 177.836 176.117 0.113 0.000 1.115 767 I CA 1.624 63.021 61.300 0.162 0.000 1.392 767 I CB -1.465 36.663 38.000 0.214 0.000 1.065 767 I HN 0.274 nan 8.210 nan 0.000 0.418 768 D N 0.723 121.181 120.400 0.097 0.000 2.117 768 D HA -0.123 4.516 4.640 -0.001 0.000 0.198 768 D C 1.959 178.302 176.300 0.071 0.000 0.982 768 D CA 0.853 54.900 54.000 0.078 0.000 0.828 768 D CB -0.214 40.627 40.800 0.068 0.000 0.967 768 D HN 0.255 nan 8.370 nan 0.000 0.464 769 N N 0.535 119.271 118.700 0.060 0.000 2.080 769 N HA -0.073 4.666 4.740 -0.001 0.000 0.189 769 N C 2.096 177.646 175.510 0.066 0.000 1.036 769 N CA 0.522 53.596 53.050 0.040 0.000 0.846 769 N CB -0.364 38.120 38.487 -0.006 0.000 1.015 769 N HN 0.240 nan 8.380 nan 0.000 0.423 770 I N 1.470 122.077 120.570 0.062 0.000 2.248 770 I HA -0.288 3.881 4.170 -0.001 0.000 0.248 770 I C 1.555 177.756 176.117 0.139 0.000 1.107 770 I CA 1.038 62.395 61.300 0.096 0.000 1.373 770 I CB -0.275 37.777 38.000 0.087 0.000 1.055 770 I HN 0.114 nan 8.210 nan 0.000 0.418 771 N N 0.830 119.593 118.700 0.105 0.000 2.142 771 N HA -0.128 4.612 4.740 -0.001 0.000 0.186 771 N C 1.566 177.127 175.510 0.085 0.000 1.023 771 N CA 1.060 54.163 53.050 0.088 0.000 0.852 771 N CB -0.492 38.043 38.487 0.080 0.000 0.998 771 N HN 0.342 nan 8.380 nan 0.000 0.424 772 N N 0.309 119.068 118.700 0.098 0.000 2.188 772 N HA -0.107 4.632 4.740 -0.001 0.000 0.184 772 N C 1.569 177.142 175.510 0.104 0.000 1.018 772 N CA 0.431 53.538 53.050 0.095 0.000 0.858 772 N CB -0.423 38.118 38.487 0.090 0.000 0.989 772 N HN 0.202 nan 8.380 nan 0.000 0.426 773 F N 2.065 121.997 119.950 -0.031 0.000 2.113 773 F HA -0.062 4.458 4.527 -0.012 0.000 0.297 773 F C 2.031 177.778 175.800 -0.088 0.000 1.103 773 F CA 0.965 58.926 58.000 -0.066 0.000 1.248 773 F CB -0.221 38.709 39.000 -0.118 0.000 0.999 773 F HN -0.140 nan 8.300 nan 0.000 0.475 774 I N 0.771 121.225 120.570 -0.193 0.000 2.315 774 I HA -0.262 3.907 4.170 -0.001 0.000 0.248 774 I C 2.013 177.891 176.117 -0.398 0.000 1.117 774 I CA 1.084 62.158 61.300 -0.376 0.000 1.404 774 I CB -1.633 36.317 38.000 -0.084 0.000 1.071 774 I HN 0.221 nan 8.210 nan 0.000 0.419 775 N N 1.292 119.903 118.700 -0.148 0.000 2.120 775 N HA -0.108 4.631 4.740 -0.001 0.000 0.188 775 N C 2.016 177.487 175.510 -0.065 0.000 1.024 775 N CA 1.543 54.565 53.050 -0.047 0.000 0.852 775 N CB -0.638 37.886 38.487 0.060 0.000 1.003 775 N HN 0.397 nan 8.380 nan 0.000 0.424 776 G N 0.422 109.175 108.800 -0.078 0.000 2.440 776 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.218 776 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.218 776 G C 1.908 176.756 174.900 -0.087 0.000 1.154 776 G CA 1.014 46.119 45.100 0.008 0.000 0.767 776 G HN 0.357 nan 8.290 nan 0.000 0.552 777 C N 0.067 119.143 119.300 -0.374 0.000 2.429 777 C HA -0.010 4.449 4.460 -0.001 0.000 0.277 777 C C 3.325 178.104 174.990 -0.352 0.000 1.262 777 C CA 1.242 60.019 59.018 -0.403 0.000 1.733 777 C CB -0.864 26.427 27.740 -0.748 0.000 2.010 777 C HN 0.484 nan 8.230 nan 0.000 0.483 778 S N 0.520 115.887 115.700 -0.555 0.000 2.353 778 S HA -0.157 4.312 4.470 -0.001 0.000 0.222 778 S C 1.824 176.618 174.600 0.322 0.000 1.035 778 S CA 2.142 60.377 58.200 0.058 0.000 1.025 778 S CB -0.246 63.095 63.200 0.235 0.000 0.902 778 S HN 0.408 nan 8.310 nan 0.000 0.440 779 V N 1.238 121.206 119.914 0.091 0.000 2.594 779 V HA -0.084 4.035 4.120 -0.001 0.000 0.253 779 V C 2.646 178.430 176.094 -0.516 0.000 1.069 779 V CA 1.868 64.011 62.300 -0.262 0.000 1.082 779 V CB -1.014 30.611 31.823 -0.329 0.000 0.680 779 V HN 0.605 nan 8.190 nan 0.000 0.469 780 S N -0.788 114.767 115.700 -0.241 0.000 2.356 780 S HA -0.259 4.210 4.470 -0.001 0.000 0.223 780 S C 2.011 176.568 174.600 -0.072 0.000 1.032 780 S CA 1.798 59.944 58.200 -0.090 0.000 1.005 780 S CB -0.449 62.805 63.200 0.090 0.000 0.867 780 S HN 0.661 nan 8.310 nan 0.000 0.449 781 Y N 1.420 121.688 120.300 -0.053 0.000 2.165 781 Y HA -0.108 4.433 4.550 -0.014 0.000 0.286 781 Y C 2.099 177.922 175.900 -0.128 0.000 1.155 781 Y CA 1.795 59.893 58.100 -0.003 0.000 1.164 781 Y CB -0.420 38.171 38.460 0.218 0.000 0.978 781 Y HN 0.375 nan 8.280 nan 0.000 0.513 782 L N -0.173 120.987 121.223 -0.105 0.000 1.955 782 L HA -0.270 4.069 4.340 -0.001 0.000 0.213 782 L C 2.077 178.709 176.870 -0.397 0.000 1.072 782 L CA 2.083 56.639 54.840 -0.473 0.000 0.755 782 L CB -0.807 40.515 42.059 -1.229 0.000 0.888 782 L HN 0.201 nan 8.230 nan 0.000 0.432 783 M N -0.669 118.718 119.600 -0.355 0.000 2.358 783 M HA -0.159 4.320 4.480 -0.001 0.000 0.264 783 M C 1.939 178.186 176.300 -0.089 0.000 1.064 783 M CA 1.625 56.814 55.300 -0.185 0.000 1.093 783 M CB -0.986 31.537 32.600 -0.130 0.000 1.401 783 M HN 0.377 nan 8.290 nan 0.000 0.440 784 K N -1.263 119.015 120.400 -0.204 0.000 2.435 784 K HA 0.106 4.425 4.320 -0.001 0.000 0.199 784 K C 1.516 177.955 176.600 -0.267 0.000 1.153 784 K CA -0.002 56.134 56.287 -0.251 0.000 0.974 784 K CB 0.888 33.058 32.500 -0.551 0.000 0.997 784 K HN -0.020 nan 8.250 nan 0.000 0.547 785 K N -0.099 120.055 120.400 -0.411 0.000 2.380 785 K HA 0.314 4.633 4.320 -0.001 0.000 0.198 785 K C 1.321 177.663 176.600 -0.430 0.000 1.070 785 K CA 0.471 56.430 56.287 -0.547 0.000 1.040 785 K CB 0.771 32.584 32.500 -1.145 0.000 0.903 785 K HN 0.114 nan 8.250 nan 0.000 0.549 786 M N -0.695 118.713 119.600 -0.320 0.000 2.817 786 M HA 0.155 4.635 4.480 -0.001 0.000 0.228 786 M C 1.522 177.704 176.300 -0.197 0.000 1.644 786 M CA 0.132 55.308 55.300 -0.206 0.000 1.177 786 M CB 0.208 32.724 32.600 -0.139 0.000 1.302 786 M HN -0.168 nan 8.290 nan 0.000 0.565 787 I N 1.386 121.803 120.570 -0.255 0.000 2.163 787 I HA -0.162 4.007 4.170 -0.001 0.000 0.243 787 I C -0.576 175.488 176.117 -0.090 0.000 1.085 787 I CA 2.043 63.188 61.300 -0.258 0.000 1.347 787 I CB -2.320 35.463 38.000 -0.362 0.000 1.044 787 I HN 0.091 nan 8.210 nan 0.000 0.408 788 P HA -0.156 nan 4.420 nan 0.000 0.216 788 P C 2.146 179.442 177.300 -0.006 0.000 1.150 788 P CA 1.360 64.473 63.100 0.022 0.000 0.843 788 P CB -0.062 31.679 31.700 0.068 0.000 0.787 789 L N -1.658 119.538 121.223 -0.046 0.000 2.141 789 L HA -0.117 4.223 4.340 -0.001 0.000 0.209 789 L C 2.388 179.218 176.870 -0.067 0.000 1.094 789 L CA 1.496 56.303 54.840 -0.054 0.000 0.763 789 L CB -1.243 40.774 42.059 -0.070 0.000 0.908 789 L HN -0.025 nan 8.230 nan 0.000 0.437 790 A N 0.020 122.795 122.820 -0.075 0.000 1.929 790 A HA -0.070 4.250 4.320 -0.001 0.000 0.216 790 A C 2.338 179.835 177.584 -0.144 0.000 1.176 790 A CA 1.148 53.121 52.037 -0.107 0.000 0.628 790 A CB -0.594 18.368 19.000 -0.064 0.000 0.816 790 A HN 0.172 nan 8.150 nan 0.000 0.444 791 V N 0.181 120.070 119.914 -0.041 0.000 2.407 791 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 791 V C 2.451 178.514 176.094 -0.052 0.000 1.055 791 V CA 2.314 64.604 62.300 -0.017 0.000 1.049 791 V CB -0.781 31.128 31.823 0.143 0.000 0.662 791 V HN 0.758 nan 8.190 nan 0.000 0.455 792 E N 0.323 120.504 120.200 -0.031 0.000 2.023 792 E HA -0.258 4.091 4.350 -0.001 0.000 0.196 792 E C 2.347 178.916 176.600 -0.051 0.000 1.003 792 E CA 1.435 57.824 56.400 -0.019 0.000 0.809 792 E CB -0.032 29.659 29.700 -0.016 0.000 0.755 792 E HN 0.432 nan 8.360 nan 0.000 0.449 793 K N 0.335 120.679 120.400 -0.093 0.000 2.063 793 K HA -0.158 4.161 4.320 -0.001 0.000 0.208 793 K C 2.348 178.861 176.600 -0.146 0.000 1.048 793 K CA 0.952 57.176 56.287 -0.104 0.000 0.928 793 K CB -0.494 31.928 32.500 -0.130 0.000 0.713 793 K HN 0.290 nan 8.250 nan 0.000 0.442 794 L N 0.841 121.865 121.223 -0.332 0.000 2.191 794 L HA -0.157 4.183 4.340 -0.001 0.000 0.212 794 L C 2.342 179.121 176.870 -0.151 0.000 1.103 794 L CA 0.764 55.249 54.840 -0.593 0.000 0.769 794 L CB -0.270 40.823 42.059 -1.611 0.000 0.908 794 L HN 0.117 nan 8.230 nan 0.000 0.438 795 L N -1.099 120.121 121.223 -0.005 0.000 2.162 795 L HA -0.139 4.200 4.340 -0.001 0.000 0.205 795 L C 2.218 179.140 176.870 0.085 0.000 1.086 795 L CA 0.698 55.631 54.840 0.154 0.000 0.778 795 L CB -0.467 41.678 42.059 0.144 0.000 0.928 795 L HN 0.226 nan 8.230 nan 0.000 0.446 796 D N 0.434 120.860 120.400 0.043 0.000 2.104 796 D HA -0.277 4.362 4.640 -0.001 0.000 0.194 796 D C 2.028 178.345 176.300 0.028 0.000 0.994 796 D CA 1.453 55.470 54.000 0.028 0.000 0.830 796 D CB -0.073 40.739 40.800 0.019 0.000 0.959 796 D HN 0.205 nan 8.370 nan 0.000 0.452 797 F N 1.267 121.165 119.950 -0.086 0.000 2.051 797 F HA -0.146 4.380 4.527 -0.001 0.000 0.296 797 F C 1.968 177.722 175.800 -0.077 0.000 1.122 797 F CA 1.895 59.828 58.000 -0.111 0.000 1.201 797 F CB -0.757 38.139 39.000 -0.173 0.000 0.978 797 F HN -0.140 nan 8.300 nan 0.000 0.472 798 D N 0.143 120.487 120.400 -0.093 0.000 2.203 798 D HA -0.242 4.398 4.640 -0.001 0.000 0.199 798 D C 2.109 178.287 176.300 -0.203 0.000 0.997 798 D CA 1.387 55.322 54.000 -0.109 0.000 0.863 798 D CB -0.429 40.534 40.800 0.273 0.000 0.928 798 D HN 0.381 nan 8.370 nan 0.000 0.458 799 N N -0.862 117.758 118.700 -0.133 0.000 2.148 799 N HA -0.081 4.658 4.740 -0.001 0.000 0.186 799 N C 1.511 176.925 175.510 -0.160 0.000 1.031 799 N CA 1.340 54.327 53.050 -0.106 0.000 0.848 799 N CB -0.039 38.422 38.487 -0.042 0.000 1.005 799 N HN 0.068 nan 8.380 nan 0.000 0.427 800 T N 1.846 116.291 114.554 -0.183 0.000 2.778 800 T HA -0.158 4.192 4.350 -0.001 0.000 0.269 800 T C 1.811 176.360 174.700 -0.252 0.000 1.050 800 T CA 0.802 62.800 62.100 -0.171 0.000 1.137 800 T CB -0.193 68.596 68.868 -0.131 0.000 0.860 800 T HN 0.149 nan 8.240 nan 0.000 0.468 801 L N 0.692 121.636 121.223 -0.465 0.000 2.240 801 L HA 0.212 4.551 4.340 -0.001 0.000 0.211 801 L C 2.218 178.928 176.870 -0.267 0.000 1.106 801 L CA 1.591 56.131 54.840 -0.499 0.000 0.793 801 L CB -0.371 41.114 42.059 -0.957 0.000 0.927 801 L HN 0.038 nan 8.230 nan 0.000 0.446 802 K N 0.536 120.810 120.400 -0.211 0.000 2.026 802 K HA -0.195 4.125 4.320 -0.001 0.000 0.208 802 K C 1.663 178.222 176.600 -0.069 0.000 1.048 802 K CA 1.782 58.000 56.287 -0.114 0.000 0.929 802 K CB -0.054 32.394 32.500 -0.086 0.000 0.713 802 K HN 0.456 nan 8.250 nan 0.000 0.439 803 K N -0.427 119.933 120.400 -0.067 0.000 2.546 803 K HA 0.010 4.330 4.320 -0.001 0.000 0.198 803 K C 1.117 177.708 176.600 -0.014 0.000 1.028 803 K CA 0.460 56.729 56.287 -0.030 0.000 1.150 803 K CB 0.268 32.753 32.500 -0.026 0.000 0.876 803 K HN 0.027 nan 8.250 nan 0.000 0.508 804 N N 0.947 119.628 118.700 -0.031 0.000 2.510 804 N HA 0.086 4.825 4.740 -0.001 0.000 0.186 804 N C 1.451 176.991 175.510 0.049 0.000 1.051 804 N CA 0.339 53.389 53.050 0.000 0.000 0.877 804 N CB 0.207 38.668 38.487 -0.043 0.000 1.183 804 N HN 0.225 nan 8.380 nan 0.000 0.443 805 L N 0.767 122.006 121.223 0.027 0.000 2.131 805 L HA 0.035 4.374 4.340 -0.001 0.000 0.206 805 L C 2.293 179.246 176.870 0.138 0.000 1.087 805 L CA 0.574 55.467 54.840 0.088 0.000 0.767 805 L CB -0.426 41.655 42.059 0.037 0.000 0.917 805 L HN 0.095 nan 8.230 nan 0.000 0.441 806 L N 0.009 121.275 121.223 0.071 0.000 2.017 806 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 806 L C 2.589 179.507 176.870 0.079 0.000 1.073 806 L CA 1.228 56.104 54.840 0.060 0.000 0.745 806 L CB -0.750 41.324 42.059 0.025 0.000 0.894 806 L HN 0.413 nan 8.230 nan 0.000 0.432 807 N N 0.180 118.932 118.700 0.087 0.000 2.025 807 N HA -0.299 4.440 4.740 -0.001 0.000 0.194 807 N C 2.023 177.613 175.510 0.134 0.000 1.044 807 N CA 1.919 55.024 53.050 0.091 0.000 0.851 807 N CB -0.386 38.154 38.487 0.088 0.000 1.036 807 N HN 0.302 nan 8.380 nan 0.000 0.422 808 Y N 1.658 121.985 120.300 0.046 0.000 2.069 808 Y HA -0.186 4.363 4.550 -0.001 0.000 0.278 808 Y C 2.486 178.431 175.900 0.074 0.000 1.175 808 Y CA 1.918 60.057 58.100 0.065 0.000 1.134 808 Y CB -0.611 37.893 38.460 0.072 0.000 0.965 808 Y HN 0.118 nan 8.280 nan 0.000 0.498 809 I N -0.063 120.576 120.570 0.115 0.000 2.264 809 I HA -0.345 3.824 4.170 -0.001 0.000 0.248 809 I C 2.398 178.501 176.117 -0.024 0.000 1.111 809 I CA 1.645 62.952 61.300 0.012 0.000 1.382 809 I CB -0.561 37.484 38.000 0.075 0.000 1.060 809 I HN 0.382 nan 8.210 nan 0.000 0.418 810 D N 1.100 121.504 120.400 0.008 0.000 2.088 810 D HA -0.216 4.423 4.640 -0.001 0.000 0.191 810 D C 1.776 178.068 176.300 -0.014 0.000 0.992 810 D CA 1.521 55.523 54.000 0.003 0.000 0.831 810 D CB -0.081 40.731 40.800 0.020 0.000 0.973 810 D HN 0.412 nan 8.370 nan 0.000 0.447 811 E N 0.120 120.312 120.200 -0.013 0.000 2.510 811 E HA -0.084 4.266 4.350 -0.001 0.000 0.202 811 E C 0.677 177.287 176.600 0.016 0.000 1.072 811 E CA 0.278 56.678 56.400 -0.001 0.000 0.883 811 E CB 0.065 29.775 29.700 0.018 0.000 0.818 811 E HN 0.211 nan 8.360 nan 0.000 0.548 812 N N 0.511 119.193 118.700 -0.030 0.000 2.291 812 N HA 0.014 4.753 4.740 -0.001 0.000 0.244 812 N C 0.768 176.289 175.510 0.018 0.000 1.216 812 N CA 0.049 53.148 53.050 0.081 0.000 0.879 812 N CB 0.650 39.085 38.487 -0.086 0.000 1.167 812 N HN 0.228 nan 8.380 nan 0.000 0.515 813 K N 0.581 120.956 120.400 -0.042 0.000 2.044 813 K HA -0.102 4.217 4.320 -0.001 0.000 0.210 813 K C 1.705 178.241 176.600 -0.107 0.000 1.049 813 K CA 1.063 57.316 56.287 -0.056 0.000 0.927 813 K CB -0.373 32.093 32.500 -0.057 0.000 0.713 813 K HN 0.058 nan 8.250 nan 0.000 0.443 814 L N -0.066 121.011 121.223 -0.242 0.000 2.017 814 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 814 L C 2.454 179.113 176.870 -0.351 0.000 1.073 814 L CA 1.494 56.102 54.840 -0.386 0.000 0.745 814 L CB -0.646 41.008 42.059 -0.675 0.000 0.894 814 L HN 0.182 nan 8.230 nan 0.000 0.432 815 Y N -0.665 119.619 120.300 -0.026 0.000 2.420 815 Y HA 0.007 4.556 4.550 -0.001 0.000 0.292 815 Y C 2.249 178.143 175.900 -0.010 0.000 1.119 815 Y CA 0.230 58.319 58.100 -0.017 0.000 1.229 815 Y CB -0.164 38.283 38.460 -0.021 0.000 1.026 815 Y HN 0.038 nan 8.280 nan 0.000 0.554 816 L N -0.185 121.105 121.223 0.112 0.000 2.509 816 L HA 0.068 4.408 4.340 -0.001 0.000 0.222 816 L C 0.918 177.819 176.870 0.052 0.000 1.123 816 L CA 0.024 54.914 54.840 0.082 0.000 0.856 816 L CB -0.610 41.489 42.059 0.067 0.000 0.985 816 L HN 0.231 nan 8.230 nan 0.000 0.456 817 I N 0.294 120.876 120.570 0.019 0.000 4.909 817 I HA -0.386 3.783 4.170 -0.001 0.000 0.038 817 I C 1.491 177.617 176.117 0.016 0.000 0.635 817 I CA 1.284 62.586 61.300 0.003 0.000 0.209 817 I CB -1.359 36.645 38.000 0.006 0.000 0.322 817 I HN 0.265 nan 8.210 nan 0.000 0.152 818 G N 0.275 109.082 108.800 0.013 0.000 3.337 818 G HA2 0.247 4.207 3.960 -0.001 0.000 0.226 818 G HA3 0.247 4.207 3.960 -0.001 0.000 0.226 818 G C 0.721 175.640 174.900 0.031 0.000 1.295 818 G CA 0.722 45.831 45.100 0.015 0.000 1.427 818 G HN 0.858 nan 8.290 nan 0.000 0.535 819 S N -2.868 112.871 115.700 0.064 0.000 2.483 819 S HA 0.364 4.833 4.470 -0.001 0.000 0.280 819 S C 2.090 176.796 174.600 0.178 0.000 1.059 819 S CA 1.034 59.313 58.200 0.131 0.000 1.359 819 S CB -0.102 63.166 63.200 0.113 0.000 1.171 819 S HN 0.516 nan 8.310 nan 0.000 0.625 820 A N 2.202 125.085 122.820 0.105 0.000 1.940 820 A HA -0.214 4.105 4.320 -0.001 0.000 0.221 820 A C 2.036 179.667 177.584 0.077 0.000 1.190 820 A CA 2.368 54.454 52.037 0.081 0.000 0.647 820 A CB -0.952 18.073 19.000 0.041 0.000 0.821 820 A HN 0.554 nan 8.150 nan 0.000 0.457 821 E N -1.603 118.646 120.200 0.082 0.000 2.204 821 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 821 E C 1.638 178.292 176.600 0.090 0.000 0.989 821 E CA 1.302 57.743 56.400 0.068 0.000 0.824 821 E CB -0.446 29.291 29.700 0.061 0.000 0.756 821 E HN 0.747 nan 8.360 nan 0.000 0.477 822 Y N 1.082 121.392 120.300 0.017 0.000 2.163 822 Y HA -0.076 4.474 4.550 -0.001 0.000 0.288 822 Y C 1.788 177.703 175.900 0.025 0.000 1.136 822 Y CA 2.089 60.200 58.100 0.018 0.000 1.147 822 Y CB -0.204 38.266 38.460 0.018 0.000 0.987 822 Y HN 0.043 nan 8.280 nan 0.000 0.509 823 E N 0.042 120.128 120.200 -0.190 0.000 2.072 823 E HA -0.216 4.133 4.350 -0.001 0.000 0.191 823 E C 2.078 178.585 176.600 -0.155 0.000 0.985 823 E CA 1.129 57.378 56.400 -0.251 0.000 0.801 823 E CB -0.143 29.546 29.700 -0.018 0.000 0.750 823 E HN 0.217 nan 8.360 nan 0.000 0.452 824 K N 0.939 121.301 120.400 -0.063 0.000 2.097 824 K HA -0.266 4.054 4.320 -0.001 0.000 0.214 824 K C 2.232 178.792 176.600 -0.067 0.000 1.052 824 K CA 2.099 58.366 56.287 -0.034 0.000 0.932 824 K CB -0.391 32.104 32.500 -0.007 0.000 0.716 824 K HN 0.165 nan 8.250 nan 0.000 0.455 825 S N -0.148 115.489 115.700 -0.105 0.000 2.345 825 S HA -0.177 4.292 4.470 -0.001 0.000 0.220 825 S C 2.012 176.524 174.600 -0.147 0.000 1.031 825 S CA 1.353 59.488 58.200 -0.107 0.000 0.996 825 S CB -0.444 62.697 63.200 -0.099 0.000 0.882 825 S HN 0.370 nan 8.310 nan 0.000 0.445 826 K N 0.574 120.816 120.400 -0.265 0.000 2.071 826 K HA -0.179 4.140 4.320 -0.001 0.000 0.217 826 K C 2.008 178.533 176.600 -0.125 0.000 1.054 826 K CA 2.212 58.350 56.287 -0.250 0.000 0.937 826 K CB -0.653 31.637 32.500 -0.350 0.000 0.719 826 K HN 0.357 nan 8.250 nan 0.000 0.454 827 V N 0.929 120.786 119.914 -0.095 0.000 2.307 827 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 827 V C 1.774 177.836 176.094 -0.053 0.000 1.045 827 V CA 2.138 64.406 62.300 -0.053 0.000 1.024 827 V CB -0.605 31.202 31.823 -0.027 0.000 0.651 827 V HN 0.414 nan 8.190 nan 0.000 0.449 828 N N 0.263 118.930 118.700 -0.054 0.000 2.244 828 N HA -0.150 4.590 4.740 -0.001 0.000 0.183 828 N C 1.793 177.276 175.510 -0.045 0.000 1.016 828 N CA 1.278 54.301 53.050 -0.044 0.000 0.866 828 N CB -0.133 38.331 38.487 -0.037 0.000 0.980 828 N HN 0.656 nan 8.380 nan 0.000 0.430 829 K N -1.406 118.961 120.400 -0.055 0.000 2.186 829 K HA -0.066 4.253 4.320 -0.001 0.000 0.202 829 K C 2.359 178.928 176.600 -0.052 0.000 1.052 829 K CA 1.280 57.537 56.287 -0.050 0.000 0.965 829 K CB -0.762 31.707 32.500 -0.051 0.000 0.746 829 K HN 0.318 nan 8.250 nan 0.000 0.457 830 Y N 2.250 122.516 120.300 -0.057 0.000 2.242 830 Y HA 0.135 4.684 4.550 -0.001 0.000 0.291 830 Y C 2.107 177.967 175.900 -0.066 0.000 1.137 830 Y CA 1.132 59.199 58.100 -0.055 0.000 1.181 830 Y CB -0.720 37.714 38.460 -0.043 0.000 0.989 830 Y HN 0.029 nan 8.280 nan 0.000 0.527 831 L N 0.182 121.370 121.223 -0.058 0.000 2.612 831 L HA 0.036 4.375 4.340 -0.001 0.000 0.230 831 L C 2.048 178.888 176.870 -0.051 0.000 1.140 831 L CA 0.703 55.509 54.840 -0.057 0.000 0.896 831 L CB -0.048 41.983 42.059 -0.046 0.000 1.065 831 L HN 0.332 nan 8.230 nan 0.000 0.447 832 K N 0.875 121.244 120.400 -0.053 0.000 2.366 832 K HA -0.011 4.308 4.320 -0.001 0.000 0.198 832 K C 0.447 177.020 176.600 -0.045 0.000 1.044 832 K CA 0.616 56.880 56.287 -0.039 0.000 0.973 832 K CB 0.115 32.595 32.500 -0.034 0.000 0.767 832 K HN 0.233 nan 8.250 nan 0.000 0.475 833 T N -0.249 114.255 114.554 -0.084 0.000 2.841 833 T HA 0.421 4.770 4.350 -0.001 0.000 0.285 833 T C 0.178 174.749 174.700 -0.214 0.000 0.991 833 T CA -0.980 61.060 62.100 -0.100 0.000 0.966 833 T CB 0.990 69.806 68.868 -0.086 0.000 0.962 833 T HN 0.224 nan 8.240 nan 0.000 0.438 834 I N 1.534 121.987 120.570 -0.196 0.000 2.441 834 I HA 0.441 4.610 4.170 -0.001 0.000 0.287 834 I C 0.404 176.307 176.117 -0.356 0.000 1.049 834 I CA -1.011 60.023 61.300 -0.444 0.000 1.381 834 I CB 0.954 38.919 38.000 -0.059 0.000 1.409 834 I HN 0.819 nan 8.210 nan 0.000 0.523 835 M N 8.586 127.804 119.600 -0.637 0.000 2.390 835 M HA 0.263 4.742 4.480 -0.001 0.000 0.353 835 M C -2.258 174.195 176.300 0.255 0.000 1.623 835 M CA -0.988 54.224 55.300 -0.147 0.000 1.065 835 M CB 0.085 32.614 32.600 -0.119 0.000 2.025 835 M HN 0.472 nan 8.290 nan 0.000 0.461 836 P HA 0.033 nan 4.420 nan 0.000 0.271 836 P C -1.198 176.305 177.300 0.339 0.000 1.216 836 P CA -0.133 63.120 63.100 0.255 0.000 0.776 836 P CB 0.246 32.028 31.700 0.135 0.000 0.881 837 F N 3.225 123.234 119.950 0.099 0.000 2.427 837 F HA 0.346 4.872 4.527 -0.000 0.000 0.352 837 F C -0.099 175.735 175.800 0.056 0.000 1.100 837 F CA -0.499 57.404 58.000 -0.163 0.000 1.191 837 F CB 0.340 38.943 39.000 -0.661 0.000 1.128 837 F HN 0.167 nan 8.300 nan 0.000 0.533 838 D N 5.976 125.901 120.400 -0.791 0.000 2.473 838 D HA 0.149 4.789 4.640 -0.001 0.000 0.253 838 D C 0.510 176.246 176.300 -0.940 0.000 1.233 838 D CA -0.497 53.087 54.000 -0.693 0.000 0.908 838 D CB 1.146 41.821 40.800 -0.207 0.000 1.170 838 D HN 0.548 nan 8.370 nan 0.000 0.558 839 L N 3.596 123.904 121.223 -1.525 0.000 2.081 839 L HA -0.128 4.211 4.340 -0.001 0.000 0.212 839 L C 1.875 178.557 176.870 -0.313 0.000 1.080 839 L CA 2.430 56.727 54.840 -0.904 0.000 0.754 839 L CB -0.744 40.546 42.059 -1.281 0.000 0.893 839 L HN 0.544 nan 8.230 nan 0.000 0.433 840 S N -1.583 113.927 115.700 -0.317 0.000 2.595 840 S HA -0.044 4.425 4.470 -0.001 0.000 0.235 840 S C 1.729 176.227 174.600 -0.171 0.000 0.974 840 S CA 0.521 58.629 58.200 -0.153 0.000 0.942 840 S CB -0.724 62.416 63.200 -0.100 0.000 0.766 840 S HN 0.398 nan 8.310 nan 0.000 0.536 841 I N 0.092 120.516 120.570 -0.245 0.000 3.030 841 I HA 0.095 4.264 4.170 -0.001 0.000 0.270 841 I C 1.081 176.815 176.117 -0.639 0.000 1.211 841 I CA 0.782 61.793 61.300 -0.481 0.000 1.479 841 I CB -0.957 36.626 38.000 -0.696 0.000 1.105 841 I HN 0.348 nan 8.210 nan 0.000 0.447 842 Y N -0.296 119.984 120.300 -0.034 0.000 2.430 842 Y HA 0.221 4.772 4.550 0.001 0.000 0.248 842 Y C 1.098 177.008 175.900 0.017 0.000 1.108 842 Y CA -0.087 58.029 58.100 0.027 0.000 1.264 842 Y CB 0.540 39.068 38.460 0.113 0.000 1.172 842 Y HN -0.044 nan 8.280 nan 0.000 0.520 843 T N 0.089 114.698 114.554 0.091 0.000 2.889 843 T HA 0.298 4.647 4.350 -0.001 0.000 0.315 843 T C -0.726 173.977 174.700 0.006 0.000 1.291 843 T CA -0.654 61.483 62.100 0.062 0.000 1.028 843 T CB 0.857 69.793 68.868 0.114 0.000 1.235 843 T HN 0.280 nan 8.240 nan 0.000 0.491 844 N N 1.123 119.823 118.700 0.000 0.000 2.170 844 N HA 0.178 4.917 4.740 -0.001 0.000 0.222 844 N C -0.244 175.272 175.510 0.009 0.000 1.218 844 N CA -0.530 52.512 53.050 -0.013 0.000 0.889 844 N CB 0.381 38.845 38.487 -0.038 0.000 1.083 844 N HN 0.584 nan 8.380 nan 0.000 0.520 845 D N 0.637 121.056 120.400 0.032 0.000 2.450 845 D HA -0.020 4.619 4.640 -0.001 0.000 0.247 845 D C 0.348 176.680 176.300 0.052 0.000 1.162 845 D CA 0.521 54.547 54.000 0.044 0.000 0.879 845 D CB 1.163 42.002 40.800 0.065 0.000 1.163 845 D HN 0.105 nan 8.370 nan 0.000 0.472 846 T N 4.718 119.299 114.554 0.045 0.000 2.684 846 T HA -0.147 4.202 4.350 -0.001 0.000 0.267 846 T C 1.916 176.661 174.700 0.075 0.000 1.036 846 T CA 0.629 62.761 62.100 0.053 0.000 1.148 846 T CB 0.099 68.993 68.868 0.043 0.000 0.863 846 T HN 0.488 nan 8.240 nan 0.000 0.436 847 I N 0.957 121.575 120.570 0.079 0.000 2.202 847 I HA -0.062 4.107 4.170 -0.001 0.000 0.242 847 I C 2.409 178.603 176.117 0.129 0.000 1.091 847 I CA 1.212 62.571 61.300 0.097 0.000 1.368 847 I CB -1.426 36.628 38.000 0.090 0.000 1.058 847 I HN 0.276 nan 8.210 nan 0.000 0.410 848 L N 0.159 121.462 121.223 0.133 0.000 2.042 848 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 848 L C 2.594 179.588 176.870 0.206 0.000 1.076 848 L CA 1.095 56.048 54.840 0.189 0.000 0.749 848 L CB -0.450 41.714 42.059 0.174 0.000 0.893 848 L HN 0.168 nan 8.230 nan 0.000 0.432 849 I N -0.013 120.646 120.570 0.148 0.000 2.226 849 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 849 I C 2.436 178.674 176.117 0.203 0.000 1.100 849 I CA 1.558 62.950 61.300 0.154 0.000 1.374 849 I CB -1.036 37.020 38.000 0.094 0.000 1.057 849 I HN 0.366 nan 8.210 nan 0.000 0.413 850 E N 0.269 120.564 120.200 0.158 0.000 2.106 850 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 850 E C 2.317 179.020 176.600 0.172 0.000 0.984 850 E CA 1.045 57.531 56.400 0.143 0.000 0.806 850 E CB -0.128 29.636 29.700 0.107 0.000 0.750 850 E HN 0.406 nan 8.360 nan 0.000 0.458 851 M N -0.063 119.659 119.600 0.203 0.000 2.108 851 M HA -0.183 4.296 4.480 -0.001 0.000 0.261 851 M C 2.111 178.571 176.300 0.267 0.000 1.066 851 M CA 1.411 56.845 55.300 0.222 0.000 1.107 851 M CB -0.241 32.515 32.600 0.260 0.000 1.356 851 M HN 0.105 nan 8.290 nan 0.000 0.406 852 F N 1.411 121.433 119.950 0.121 0.000 2.075 852 F HA -0.209 4.316 4.527 -0.003 0.000 0.297 852 F C 2.157 178.027 175.800 0.116 0.000 1.113 852 F CA 1.623 59.676 58.000 0.089 0.000 1.218 852 F CB -0.471 38.557 39.000 0.046 0.000 0.984 852 F HN 0.157 nan 8.300 nan 0.000 0.472 853 N N 0.572 119.376 118.700 0.174 0.000 2.289 853 N HA -0.192 4.547 4.740 -0.001 0.000 0.184 853 N C 1.851 177.372 175.510 0.018 0.000 1.016 853 N CA 1.171 54.251 53.050 0.049 0.000 0.872 853 N CB -0.430 38.114 38.487 0.096 0.000 0.973 853 N HN 0.406 nan 8.380 nan 0.000 0.433 854 K N -0.095 120.347 120.400 0.070 0.000 2.031 854 K HA -0.127 4.193 4.320 -0.001 0.000 0.205 854 K C 2.096 178.727 176.600 0.052 0.000 1.049 854 K CA 0.601 56.924 56.287 0.060 0.000 0.939 854 K CB -0.236 32.317 32.500 0.088 0.000 0.717 854 K HN 0.075 nan 8.250 nan 0.000 0.438 855 Y N 1.996 122.261 120.300 -0.058 0.000 2.128 855 Y HA -0.246 4.301 4.550 -0.004 0.000 0.284 855 Y C 1.701 177.523 175.900 -0.130 0.000 1.154 855 Y CA 1.988 60.038 58.100 -0.083 0.000 1.149 855 Y CB -0.194 38.208 38.460 -0.096 0.000 0.976 855 Y HN 0.203 nan 8.280 nan 0.000 0.505 856 N N -0.237 118.429 118.700 -0.057 0.000 2.459 856 N HA -0.113 4.626 4.740 -0.001 0.000 0.181 856 N C 1.810 177.250 175.510 -0.117 0.000 1.046 856 N CA 1.229 54.190 53.050 -0.148 0.000 0.904 856 N CB -0.346 37.988 38.487 -0.255 0.000 0.964 856 N HN 0.551 nan 8.380 nan 0.000 0.444 857 S N -0.585 115.062 115.700 -0.087 0.000 2.528 857 S HA 0.098 4.567 4.470 -0.001 0.000 0.219 857 S C 0.558 175.115 174.600 -0.071 0.000 0.985 857 S CA -0.088 58.076 58.200 -0.059 0.000 0.914 857 S CB 0.054 63.236 63.200 -0.030 0.000 0.776 857 S HN 0.134 nan 8.310 nan 0.000 0.526 858 E N 0.918 121.048 120.200 -0.116 0.000 2.105 858 E HA 0.280 4.630 4.350 -0.001 0.000 0.285 858 E C 0.478 177.010 176.600 -0.114 0.000 1.055 858 E CA -0.341 55.990 56.400 -0.115 0.000 0.843 858 E CB 0.938 30.546 29.700 -0.153 0.000 1.067 858 E HN 0.193 nan 8.360 nan 0.000 0.398 859 I N 4.342 124.883 120.570 -0.050 0.000 2.315 859 I HA -0.303 3.867 4.170 -0.001 0.000 0.251 859 I C 1.505 177.670 176.117 0.079 0.000 1.125 859 I CA 1.474 62.780 61.300 0.010 0.000 1.392 859 I CB 0.035 38.035 38.000 -0.001 0.000 1.065 859 I HN 0.664 nan 8.210 nan 0.000 0.424 860 L N 0.266 121.506 121.223 0.027 0.000 2.349 860 L HA -0.195 4.144 4.340 -0.001 0.000 0.220 860 L C 1.483 178.294 176.870 -0.099 0.000 1.130 860 L CA 0.779 55.626 54.840 0.011 0.000 0.791 860 L CB -0.851 41.192 42.059 -0.026 0.000 0.918 860 L HN 0.339 nan 8.230 nan 0.000 0.444 861 N N -0.049 118.543 118.700 -0.180 0.000 2.398 861 N HA -0.032 4.708 4.740 -0.001 0.000 0.188 861 N C 0.839 176.290 175.510 -0.099 0.000 1.122 861 N CA 0.363 53.246 53.050 -0.278 0.000 0.866 861 N CB 0.080 38.120 38.487 -0.745 0.000 0.970 861 N HN 0.403 nan 8.380 nan 0.000 0.462 862 N N 0.440 119.130 118.700 -0.016 0.000 2.236 862 N HA 0.150 4.889 4.740 -0.001 0.000 0.196 862 N C 0.078 175.562 175.510 -0.043 0.000 1.114 862 N CA -0.024 53.062 53.050 0.060 0.000 0.859 862 N CB 1.254 39.844 38.487 0.172 0.000 0.982 862 N HN 0.220 nan 8.380 nan 0.000 0.493 863 I N 2.635 123.068 120.570 -0.229 0.000 2.421 863 I HA 0.058 4.227 4.170 -0.001 0.000 0.291 863 I C 1.596 177.641 176.117 -0.121 0.000 1.089 863 I CA 0.051 61.067 61.300 -0.473 0.000 1.354 863 I CB 0.503 38.165 38.000 -0.564 0.000 1.413 863 I HN 0.024 nan 8.210 nan 0.000 0.513 864 I N 4.373 124.871 120.570 -0.120 0.000 3.956 864 I HA 0.334 4.504 4.170 -0.001 0.000 0.333 864 I C -0.222 175.921 176.117 0.043 0.000 1.302 864 I CA 0.137 61.436 61.300 -0.002 0.000 1.122 864 I CB 0.540 38.364 38.000 -0.293 0.000 1.013 864 I HN 0.372 nan 8.210 nan 0.000 0.405 865 L N 1.605 122.825 121.223 -0.005 0.000 2.543 865 L HA 0.576 4.915 4.340 -0.001 0.000 0.265 865 L C -1.817 175.076 176.870 0.039 0.000 0.945 865 L CA -0.218 54.674 54.840 0.087 0.000 0.869 865 L CB 1.979 44.163 42.059 0.209 0.000 1.294 865 L HN 0.056 nan 8.230 nan 0.000 0.405 866 N N 4.693 123.443 118.700 0.084 0.000 2.685 866 N HA 0.370 5.110 4.740 -0.001 0.000 0.252 866 N C -1.682 173.916 175.510 0.146 0.000 1.261 866 N CA -0.270 52.826 53.050 0.078 0.000 0.768 866 N CB 0.969 39.444 38.487 -0.021 0.000 1.304 866 N HN 0.598 nan 8.380 nan 0.000 0.536 867 L N 2.980 124.358 121.223 0.260 0.000 2.418 867 L HA 0.384 4.724 4.340 -0.001 0.000 0.274 867 L C 0.529 177.556 176.870 0.262 0.000 1.135 867 L CA -0.059 54.919 54.840 0.230 0.000 0.870 867 L CB 0.233 42.440 42.059 0.247 0.000 1.154 867 L HN 0.172 nan 8.230 nan 0.000 0.462 868 R N 2.477 123.090 120.500 0.187 0.000 2.836 868 R HA 0.333 4.672 4.340 -0.001 0.000 0.269 868 R C -1.115 175.314 176.300 0.215 0.000 1.010 868 R CA -1.039 55.206 56.100 0.242 0.000 0.930 868 R CB 1.712 32.121 30.300 0.182 0.000 1.218 868 R HN 0.325 nan 8.270 nan 0.000 0.473 869 Y N 1.384 121.767 120.300 0.138 0.000 2.309 869 Y HA 0.315 4.867 4.550 0.004 0.000 0.327 869 Y C -0.579 175.359 175.900 0.063 0.000 1.172 869 Y CA 0.442 58.600 58.100 0.096 0.000 1.280 869 Y CB 0.764 39.295 38.460 0.117 0.000 1.234 869 Y HN 0.148 nan 8.280 nan 0.000 0.512 870 K N 4.748 124.773 120.400 -0.625 0.000 2.570 870 K HA 0.111 4.431 4.320 -0.001 0.000 0.256 870 K C -1.608 174.619 176.600 -0.621 0.000 0.939 870 K CA -0.760 55.261 56.287 -0.445 0.000 0.833 870 K CB 1.448 33.835 32.500 -0.189 0.000 1.318 870 K HN 0.854 nan 8.250 nan 0.000 0.433 871 D N 2.662 122.795 120.400 -0.445 0.000 3.061 871 D HA -0.231 4.409 4.640 -0.001 0.000 0.203 871 D C 0.055 176.155 176.300 -0.334 0.000 1.245 871 D CA 0.738 54.569 54.000 -0.282 0.000 0.812 871 D CB -0.375 40.339 40.800 -0.143 0.000 0.857 871 D HN 0.612 nan 8.370 nan 0.000 0.387 872 N N 1.726 120.198 118.700 -0.380 0.000 2.678 872 N HA -0.272 4.467 4.740 -0.001 0.000 0.268 872 N C -0.604 174.818 175.510 -0.146 0.000 1.010 872 N CA 1.572 54.568 53.050 -0.091 0.000 0.784 872 N CB -0.711 37.810 38.487 0.056 0.000 0.905 872 N HN 0.811 nan 8.380 nan 0.000 0.552 873 N N -0.124 118.400 118.700 -0.294 0.000 4.104 873 N HA 0.139 4.878 4.740 -0.001 0.000 0.214 873 N C -1.512 173.891 175.510 -0.177 0.000 1.270 873 N CA -0.601 52.346 53.050 -0.172 0.000 0.894 873 N CB 0.571 38.959 38.487 -0.165 0.000 1.495 873 N HN 0.033 nan 8.380 nan 0.000 0.506 874 L N 3.227 124.381 121.223 -0.114 0.000 2.322 874 L HA 0.693 5.033 4.340 -0.001 0.000 0.279 874 L C 0.005 176.818 176.870 -0.095 0.000 1.036 874 L CA -0.719 54.072 54.840 -0.083 0.000 0.807 874 L CB 1.294 43.266 42.059 -0.146 0.000 1.226 874 L HN 0.480 nan 8.230 nan 0.000 0.433 875 I N -1.703 118.837 120.570 -0.051 0.000 2.994 875 I HA 0.507 4.676 4.170 -0.001 0.000 0.306 875 I C -1.377 174.738 176.117 -0.003 0.000 1.195 875 I CA -0.924 60.350 61.300 -0.044 0.000 1.001 875 I CB 2.414 40.377 38.000 -0.060 0.000 1.244 875 I HN 0.380 nan 8.210 nan 0.000 0.437 876 D N 3.565 123.967 120.400 0.003 0.000 2.316 876 D HA 0.390 5.030 4.640 -0.001 0.000 0.245 876 D C -0.123 176.175 176.300 -0.004 0.000 1.171 876 D CA -0.161 53.857 54.000 0.030 0.000 0.856 876 D CB 1.164 41.995 40.800 0.053 0.000 1.090 876 D HN 0.640 nan 8.370 nan 0.000 0.476 877 L N 3.222 124.439 121.223 -0.010 0.000 2.872 877 L HA 0.109 4.448 4.340 -0.001 0.000 0.245 877 L C 1.787 178.603 176.870 -0.089 0.000 1.211 877 L CA -0.136 54.669 54.840 -0.059 0.000 1.013 877 L CB -0.027 41.999 42.059 -0.054 0.000 1.326 877 L HN 0.424 nan 8.230 nan 0.000 0.525 878 S N -0.932 114.731 115.700 -0.061 0.000 2.461 878 S HA 0.029 4.498 4.470 -0.001 0.000 0.228 878 S C 1.650 176.118 174.600 -0.220 0.000 1.005 878 S CA 0.841 58.988 58.200 -0.089 0.000 0.942 878 S CB 0.242 63.466 63.200 0.039 0.000 0.776 878 S HN 0.547 nan 8.310 nan 0.000 0.514 879 G N -0.143 108.531 108.800 -0.210 0.000 2.195 879 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.224 879 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.224 879 G C 0.372 175.064 174.900 -0.346 0.000 0.990 879 G CA 0.196 45.106 45.100 -0.316 0.000 0.639 879 G HN 0.583 nan 8.290 nan 0.000 0.514 880 Y N 0.909 121.166 120.300 -0.072 0.000 2.466 880 Y HA 0.377 4.929 4.550 0.005 0.000 0.272 880 Y C 2.133 178.004 175.900 -0.048 0.000 1.169 880 Y CA 0.588 58.651 58.100 -0.060 0.000 1.285 880 Y CB 0.616 39.050 38.460 -0.044 0.000 1.078 880 Y HN 0.831 nan 8.280 nan 0.000 0.523 881 G N 1.073 109.907 108.800 0.057 0.000 2.249 881 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.273 881 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.273 881 G C 0.439 175.367 174.900 0.047 0.000 1.036 881 G CA 0.010 45.126 45.100 0.027 0.000 0.824 881 G HN 0.631 nan 8.290 nan 0.000 0.504 882 A N -0.450 122.416 122.820 0.077 0.000 2.586 882 A HA 0.441 4.761 4.320 -0.001 0.000 0.231 882 A C 0.852 178.463 177.584 0.045 0.000 1.055 882 A CA 0.540 52.623 52.037 0.077 0.000 0.756 882 A CB 0.386 19.451 19.000 0.108 0.000 0.988 882 A HN 0.310 nan 8.150 nan 0.000 0.509 883 K N 1.482 121.907 120.400 0.042 0.000 2.276 883 K HA 0.404 4.723 4.320 -0.001 0.000 0.285 883 K C -1.008 175.597 176.600 0.008 0.000 1.062 883 K CA -0.190 56.107 56.287 0.016 0.000 0.918 883 K CB 1.247 33.757 32.500 0.017 0.000 1.055 883 K HN 0.336 nan 8.250 nan 0.000 0.477 884 V N 3.509 123.406 119.914 -0.029 0.000 2.350 884 V HA 0.151 4.270 4.120 -0.001 0.000 0.285 884 V C -0.044 175.975 176.094 -0.126 0.000 1.014 884 V CA -0.721 61.538 62.300 -0.067 0.000 0.831 884 V CB 1.490 33.265 31.823 -0.081 0.000 1.000 884 V HN 0.523 nan 8.190 nan 0.000 0.433 885 E N 3.894 124.000 120.200 -0.156 0.000 2.073 885 E HA 0.383 4.732 4.350 -0.001 0.000 0.269 885 E C -1.044 175.289 176.600 -0.446 0.000 0.917 885 E CA -0.233 55.986 56.400 -0.302 0.000 0.757 885 E CB 1.854 31.396 29.700 -0.264 0.000 1.111 885 E HN 0.423 nan 8.360 nan 0.000 0.410 886 V N 5.663 125.313 119.914 -0.441 0.000 2.370 886 V HA 0.263 4.382 4.120 -0.001 0.000 0.279 886 V C -0.224 175.606 176.094 -0.440 0.000 1.029 886 V CA -0.621 61.455 62.300 -0.372 0.000 0.870 886 V CB 0.230 31.904 31.823 -0.248 0.000 0.984 886 V HN 0.488 nan 8.190 nan 0.000 0.451 887 Y N 1.972 122.238 120.300 -0.057 0.000 2.326 887 Y HA 0.175 4.726 4.550 0.002 0.000 0.324 887 Y C 1.457 177.339 175.900 -0.030 0.000 1.291 887 Y CA -0.286 57.792 58.100 -0.036 0.000 1.348 887 Y CB 0.612 39.056 38.460 -0.027 0.000 1.294 887 Y HN 0.621 nan 8.280 nan 0.000 0.525 888 D N 1.085 121.573 120.400 0.146 0.000 2.228 888 D HA -0.159 4.480 4.640 -0.001 0.000 0.203 888 D C 2.114 178.447 176.300 0.056 0.000 0.988 888 D CA 1.756 55.800 54.000 0.074 0.000 0.864 888 D CB -0.241 40.598 40.800 0.065 0.000 0.928 888 D HN 0.867 nan 8.370 nan 0.000 0.469 889 G N -0.089 108.752 108.800 0.068 0.000 2.470 889 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.220 889 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.220 889 G C 0.557 175.467 174.900 0.016 0.000 1.121 889 G CA 0.177 45.297 45.100 0.033 0.000 0.766 889 G HN 0.167 nan 8.290 nan 0.000 0.553 890 V N 0.582 120.512 119.914 0.028 0.000 2.530 890 V HA 0.267 4.386 4.120 -0.001 0.000 0.282 890 V C 0.121 176.228 176.094 0.020 0.000 1.048 890 V CA -0.752 61.556 62.300 0.013 0.000 0.997 890 V CB 1.613 33.433 31.823 -0.005 0.000 0.987 890 V HN 0.307 nan 8.190 nan 0.000 0.477 891 E N 4.154 124.355 120.200 0.002 0.000 2.191 891 E HA 0.676 5.026 4.350 -0.001 0.000 0.278 891 E C -1.406 175.294 176.600 0.167 0.000 0.972 891 E CA -0.559 55.872 56.400 0.052 0.000 0.804 891 E CB 1.303 31.000 29.700 -0.006 0.000 1.110 891 E HN 0.590 nan 8.360 nan 0.000 0.394 892 L N 3.394 124.748 121.223 0.218 0.000 2.371 892 L HA 0.540 4.879 4.340 -0.001 0.000 0.262 892 L C -0.709 176.280 176.870 0.199 0.000 1.006 892 L CA -1.118 53.895 54.840 0.288 0.000 0.818 892 L CB 2.003 44.262 42.059 0.334 0.000 1.354 892 L HN 0.616 nan 8.230 nan 0.000 0.415 893 N N -1.827 116.893 118.700 0.034 0.000 2.525 893 N HA 0.258 4.998 4.740 -0.001 0.000 0.270 893 N C -0.644 174.414 175.510 -0.754 0.000 1.321 893 N CA -0.953 51.975 53.050 -0.203 0.000 0.797 893 N CB 0.774 39.219 38.487 -0.070 0.000 1.529 893 N HN 0.540 nan 8.380 nan 0.000 0.491 894 D N -1.124 118.829 120.400 -0.746 0.000 2.358 894 D HA -0.018 4.622 4.640 -0.001 0.000 0.241 894 D C 0.055 176.129 176.300 -0.377 0.000 1.094 894 D CA 0.596 54.102 54.000 -0.823 0.000 0.907 894 D CB -0.064 40.568 40.800 -0.281 0.000 0.893 894 D HN 0.614 nan 8.370 nan 0.000 0.528 895 K N -0.011 120.203 120.400 -0.310 0.000 2.397 895 K HA 0.149 4.468 4.320 -0.001 0.000 0.202 895 K C 0.097 176.549 176.600 -0.248 0.000 1.022 895 K CA -0.342 55.812 56.287 -0.222 0.000 1.141 895 K CB 0.075 32.437 32.500 -0.230 0.000 0.857 895 K HN -0.069 nan 8.250 nan 0.000 0.514 896 N N 1.884 120.468 118.700 -0.193 0.000 2.800 896 N HA -0.183 4.557 4.740 -0.001 0.000 0.250 896 N C -1.029 174.494 175.510 0.021 0.000 1.078 896 N CA 1.008 54.033 53.050 -0.042 0.000 0.804 896 N CB -0.645 37.810 38.487 -0.054 0.000 1.135 896 N HN 0.462 nan 8.380 nan 0.000 0.565 897 Q N 0.096 119.934 119.800 0.063 0.000 2.230 897 Q HA 0.584 4.923 4.340 -0.001 0.000 0.253 897 Q C -0.192 176.145 176.000 0.562 0.000 0.919 897 Q CA -0.452 55.531 55.803 0.299 0.000 0.908 897 Q CB 0.879 29.809 28.738 0.320 0.000 1.245 897 Q HN 0.314 nan 8.270 nan 0.000 0.437 898 F N -1.227 119.041 119.950 0.531 0.000 2.578 898 F HA 0.620 5.147 4.527 -0.001 0.000 0.311 898 F C -1.020 174.762 175.800 -0.029 0.000 1.094 898 F CA -1.259 56.891 58.000 0.250 0.000 0.923 898 F CB 1.407 40.481 39.000 0.123 0.000 1.230 898 F HN 0.236 nan 8.300 nan 0.000 0.450 899 K N 4.427 124.633 120.400 -0.324 0.000 2.235 899 K HA 0.634 4.953 4.320 -0.001 0.000 0.266 899 K C -1.642 174.813 176.600 -0.242 0.000 0.980 899 K CA -0.642 55.159 56.287 -0.810 0.000 0.849 899 K CB 1.259 32.752 32.500 -1.678 0.000 1.098 899 K HN 0.920 nan 8.250 nan 0.000 0.445 900 L N 4.694 125.847 121.223 -0.116 0.000 2.265 900 L HA 0.320 4.659 4.340 -0.001 0.000 0.289 900 L C 0.679 177.546 176.870 -0.006 0.000 1.033 900 L CA -0.694 54.160 54.840 0.022 0.000 0.814 900 L CB 1.404 43.540 42.059 0.129 0.000 1.203 900 L HN 0.830 nan 8.230 nan 0.000 0.423 901 T N -1.859 112.688 114.554 -0.012 0.000 2.902 901 T HA 0.186 4.536 4.350 -0.001 0.000 0.287 901 T C 1.165 175.868 174.700 0.005 0.000 1.048 901 T CA -0.025 62.078 62.100 0.004 0.000 0.941 901 T CB 1.231 70.081 68.868 -0.031 0.000 1.432 901 T HN 0.540 nan 8.240 nan 0.000 0.586 902 S N -0.731 114.966 115.700 -0.005 0.000 2.562 902 S HA 0.139 4.608 4.470 -0.001 0.000 0.221 902 S C 0.818 175.404 174.600 -0.024 0.000 0.975 902 S CA -0.526 57.658 58.200 -0.028 0.000 0.918 902 S CB -0.591 62.588 63.200 -0.035 0.000 0.772 902 S HN 0.587 nan 8.310 nan 0.000 0.531 903 S N 1.819 117.509 115.700 -0.017 0.000 2.562 903 S HA 0.524 4.993 4.470 -0.001 0.000 0.281 903 S C 1.528 176.115 174.600 -0.022 0.000 1.333 903 S CA -0.009 58.180 58.200 -0.019 0.000 1.052 903 S CB 1.022 64.212 63.200 -0.015 0.000 0.884 903 S HN 0.586 nan 8.310 nan 0.000 0.506 904 A N 3.085 125.885 122.820 -0.032 0.000 1.978 904 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 904 A C 1.811 179.356 177.584 -0.065 0.000 1.170 904 A CA 1.795 53.803 52.037 -0.049 0.000 0.636 904 A CB -0.623 18.343 19.000 -0.058 0.000 0.810 904 A HN 0.878 nan 8.150 nan 0.000 0.448 905 N N -0.620 118.053 118.700 -0.046 0.000 2.383 905 N HA 0.041 4.781 4.740 -0.001 0.000 0.192 905 N C 0.111 175.644 175.510 0.039 0.000 1.141 905 N CA 0.777 53.807 53.050 -0.033 0.000 0.851 905 N CB -0.380 38.105 38.487 -0.005 0.000 0.976 905 N HN 0.124 nan 8.380 nan 0.000 0.465 906 S N 0.400 116.116 115.700 0.027 0.000 2.835 906 S HA 0.315 4.784 4.470 -0.001 0.000 0.286 906 S C -0.623 174.024 174.600 0.077 0.000 1.194 906 S CA -0.760 57.469 58.200 0.049 0.000 1.031 906 S CB -0.465 62.748 63.200 0.022 0.000 1.216 906 S HN 0.533 nan 8.310 nan 0.000 0.502 907 K N 2.498 122.977 120.400 0.133 0.000 2.579 907 K HA 0.613 4.932 4.320 -0.001 0.000 0.284 907 K C -1.633 175.092 176.600 0.208 0.000 0.990 907 K CA -1.008 55.380 56.287 0.168 0.000 0.880 907 K CB 1.023 33.601 32.500 0.130 0.000 1.488 907 K HN 0.311 nan 8.250 nan 0.000 0.425 908 I N 0.949 121.620 120.570 0.168 0.000 2.533 908 I HA 0.420 4.590 4.170 -0.001 0.000 0.290 908 I C -0.810 175.416 176.117 0.183 0.000 1.056 908 I CA -0.876 60.445 61.300 0.035 0.000 1.057 908 I CB 2.228 40.018 38.000 -0.350 0.000 1.240 908 I HN 0.556 nan 8.210 nan 0.000 0.423 909 R N 5.718 126.292 120.500 0.123 0.000 2.343 909 R HA 0.710 5.049 4.340 -0.001 0.000 0.320 909 R C -1.780 174.578 176.300 0.097 0.000 0.956 909 R CA -0.446 55.744 56.100 0.151 0.000 0.836 909 R CB 1.669 32.079 30.300 0.184 0.000 1.151 909 R HN 0.477 nan 8.270 nan 0.000 0.450 910 V N 3.774 123.777 119.914 0.149 0.000 2.448 910 V HA 0.318 4.438 4.120 -0.001 0.000 0.295 910 V C -0.271 175.897 176.094 0.123 0.000 1.025 910 V CA -0.653 61.731 62.300 0.141 0.000 0.859 910 V CB 2.025 33.993 31.823 0.241 0.000 0.988 910 V HN 0.775 nan 8.190 nan 0.000 0.431 911 T N 5.357 119.967 114.554 0.093 0.000 2.801 911 T HA 0.361 4.711 4.350 -0.001 0.000 0.306 911 T C 0.002 174.760 174.700 0.096 0.000 1.020 911 T CA -0.389 61.761 62.100 0.083 0.000 0.948 911 T CB 0.619 69.521 68.868 0.057 0.000 0.962 911 T HN 0.678 nan 8.240 nan 0.000 0.465 912 Q N 2.279 122.152 119.800 0.122 0.000 2.492 912 Q HA 0.144 4.483 4.340 -0.001 0.000 0.238 912 Q C 0.635 176.686 176.000 0.085 0.000 1.045 912 Q CA -0.556 55.322 55.803 0.125 0.000 0.934 912 Q CB 0.544 29.388 28.738 0.177 0.000 1.276 912 Q HN 0.483 nan 8.270 nan 0.000 0.521 913 N N 1.167 119.900 118.700 0.056 0.000 2.475 913 N HA -0.073 4.666 4.740 -0.001 0.000 0.267 913 N C 0.230 175.758 175.510 0.031 0.000 1.169 913 N CA 0.233 53.302 53.050 0.032 0.000 0.947 913 N CB 0.935 39.421 38.487 -0.002 0.000 1.061 913 N HN 0.488 nan 8.380 nan 0.000 0.466 914 Q N 2.099 121.927 119.800 0.047 0.000 2.435 914 Q HA 0.053 4.393 4.340 -0.001 0.000 0.207 914 Q C 0.149 176.190 176.000 0.068 0.000 0.956 914 Q CA 0.708 56.550 55.803 0.065 0.000 0.917 914 Q CB 0.132 28.907 28.738 0.062 0.000 0.997 914 Q HN 0.621 nan 8.270 nan 0.000 0.497 915 N N 0.185 118.911 118.700 0.043 0.000 2.280 915 N HA 0.111 4.850 4.740 -0.001 0.000 0.192 915 N C 0.249 175.778 175.510 0.032 0.000 1.109 915 N CA 0.084 53.170 53.050 0.059 0.000 0.855 915 N CB 0.970 39.488 38.487 0.052 0.000 0.974 915 N HN 0.238 nan 8.380 nan 0.000 0.482 916 I N 1.572 122.109 120.570 -0.056 0.000 2.416 916 I HA 0.148 4.318 4.170 -0.001 0.000 0.288 916 I C 0.683 176.806 176.117 0.009 0.000 1.051 916 I CA -0.460 60.739 61.300 -0.168 0.000 1.375 916 I CB 1.246 38.977 38.000 -0.450 0.000 1.407 916 I HN -0.140 nan 8.210 nan 0.000 0.516 917 I N 6.794 127.404 120.570 0.066 0.000 2.587 917 I HA -0.044 4.126 4.170 -0.001 0.000 0.284 917 I C 0.190 176.432 176.117 0.209 0.000 1.134 917 I CA 0.979 62.376 61.300 0.161 0.000 1.410 917 I CB 0.431 38.539 38.000 0.180 0.000 1.392 917 I HN 0.682 nan 8.210 nan 0.000 0.545 918 F N 5.896 125.881 119.950 0.059 0.000 2.017 918 F HA 0.082 4.610 4.527 0.002 0.000 0.245 918 F C 1.170 176.996 175.800 0.045 0.000 1.060 918 F CA -0.685 57.341 58.000 0.044 0.000 1.231 918 F CB 0.346 39.360 39.000 0.023 0.000 1.527 918 F HN 0.511 nan 8.300 nan 0.000 0.636 919 N N 1.840 120.614 118.700 0.123 0.000 3.210 919 N HA -0.047 4.692 4.740 -0.001 0.000 0.314 919 N C 0.196 175.777 175.510 0.118 0.000 1.291 919 N CA 0.644 53.691 53.050 -0.005 0.000 1.202 919 N CB -0.225 38.210 38.487 -0.087 0.000 1.475 919 N HN 0.224 nan 8.380 nan 0.000 0.554 920 S N -1.248 114.589 115.700 0.228 0.000 2.795 920 S HA 0.003 4.472 4.470 -0.001 0.000 0.236 920 S C 0.423 175.123 174.600 0.166 0.000 0.973 920 S CA -0.402 57.912 58.200 0.191 0.000 0.982 920 S CB -0.910 62.427 63.200 0.227 0.000 0.786 920 S HN 0.301 nan 8.310 nan 0.000 0.538 921 V N 1.474 121.529 119.914 0.236 0.000 3.699 921 V HA -0.191 3.929 4.120 -0.001 0.000 0.464 921 V C -0.045 176.325 176.094 0.460 0.000 0.681 921 V CA 1.203 63.634 62.300 0.217 0.000 1.940 921 V CB -2.319 29.541 31.823 0.063 0.000 2.368 921 V HN 1.467 nan 8.190 nan 0.000 0.496 922 F N 2.393 122.331 119.950 -0.020 0.000 0.675 922 F HA 0.191 4.717 4.527 -0.002 0.000 0.240 922 F C -0.748 175.053 175.800 0.001 0.000 0.552 922 F CA -0.306 57.693 58.000 -0.003 0.000 2.846 922 F CB -1.451 37.556 39.000 0.011 0.000 3.799 922 F HN 1.652 nan 8.300 nan 0.000 0.192 923 L N 2.426 123.516 121.223 -0.223 0.000 2.883 923 L HA 0.108 4.448 4.340 -0.001 0.000 0.559 923 L C -0.831 175.659 176.870 -0.634 0.000 1.001 923 L CA 1.303 55.919 54.840 -0.374 0.000 1.291 923 L CB -0.668 41.284 42.059 -0.178 0.000 1.557 923 L HN 0.746 nan 8.230 nan 0.000 0.761 924 D N 5.624 125.729 120.400 -0.492 0.000 2.319 924 D HA 0.661 5.301 4.640 -0.001 0.000 0.237 924 D C -0.778 175.640 176.300 0.197 0.000 1.353 924 D CA 0.385 54.186 54.000 -0.332 0.000 0.992 924 D CB 0.441 40.809 40.800 -0.720 0.000 1.368 924 D HN 0.502 nan 8.370 nan 0.000 0.564 925 F N -0.446 119.480 119.950 -0.039 0.000 2.807 925 F HA 0.747 5.272 4.527 -0.002 0.000 0.316 925 F C -1.596 174.168 175.800 -0.059 0.000 1.162 925 F CA -0.927 57.116 58.000 0.072 0.000 0.910 925 F CB 1.041 40.259 39.000 0.362 0.000 1.314 925 F HN 0.067 nan 8.300 nan 0.000 0.454 926 S N 0.623 116.151 115.700 -0.286 0.000 2.618 926 S HA 0.842 5.311 4.470 -0.001 0.000 0.277 926 S C -1.551 172.767 174.600 -0.470 0.000 1.138 926 S CA -0.777 57.099 58.200 -0.540 0.000 0.844 926 S CB 2.347 65.281 63.200 -0.443 0.000 1.127 926 S HN 0.641 nan 8.310 nan 0.000 0.474 927 V N 2.085 121.661 119.914 -0.563 0.000 2.733 927 V HA 0.779 4.898 4.120 -0.001 0.000 0.306 927 V C -0.726 175.141 176.094 -0.377 0.000 1.084 927 V CA -0.631 61.419 62.300 -0.417 0.000 0.905 927 V CB 1.910 33.443 31.823 -0.482 0.000 1.010 927 V HN 1.017 nan 8.190 nan 0.000 0.424 928 S N 3.983 119.542 115.700 -0.235 0.000 2.569 928 S HA 1.019 5.488 4.470 -0.001 0.000 0.280 928 S C -1.025 173.592 174.600 0.029 0.000 1.111 928 S CA -0.685 57.340 58.200 -0.292 0.000 0.887 928 S CB 2.604 65.764 63.200 -0.067 0.000 1.095 928 S HN 1.490 nan 8.310 nan 0.000 0.476 929 F N -2.906 117.094 119.950 0.082 0.000 2.829 929 F HA 0.744 5.269 4.527 -0.002 0.000 0.319 929 F C -2.629 173.388 175.800 0.361 0.000 1.153 929 F CA -1.800 56.452 58.000 0.420 0.000 0.912 929 F CB 0.126 39.475 39.000 0.582 0.000 1.292 929 F HN 0.649 nan 8.300 nan 0.000 0.447 930 W N 2.854 124.597 121.300 0.738 0.000 2.520 930 W HA 0.804 5.464 4.660 -0.001 0.000 0.323 930 W C -0.792 176.213 176.519 0.811 0.000 1.062 930 W CA -0.800 56.930 57.345 0.643 0.000 1.215 930 W CB 1.861 31.532 29.460 0.353 0.000 1.340 930 W HN 0.707 nan 8.180 nan 0.000 0.516 931 I N 2.663 123.663 120.570 0.718 0.000 2.730 931 I HA 0.536 4.705 4.170 -0.001 0.000 0.298 931 I C -0.940 175.092 176.117 -0.142 0.000 1.089 931 I CA -1.420 60.064 61.300 0.307 0.000 1.041 931 I CB 1.893 40.002 38.000 0.182 0.000 1.235 931 I HN 0.432 nan 8.210 nan 0.000 0.423 932 R N 7.444 127.704 120.500 -0.401 0.000 2.468 932 R HA 0.567 4.906 4.340 -0.001 0.000 0.302 932 R C -1.802 174.392 176.300 -0.177 0.000 1.041 932 R CA -0.456 55.358 56.100 -0.477 0.000 0.899 932 R CB 1.043 30.634 30.300 -1.181 0.000 1.167 932 R HN 0.554 nan 8.270 nan 0.000 0.483 933 I N 6.908 127.467 120.570 -0.018 0.000 2.312 933 I HA 0.353 4.523 4.170 -0.001 0.000 0.290 933 I C -1.765 174.367 176.117 0.025 0.000 1.008 933 I CA -2.348 58.985 61.300 0.056 0.000 1.226 933 I CB 1.545 39.709 38.000 0.274 0.000 1.371 933 I HN 0.395 nan 8.210 nan 0.000 0.468 934 P HA -0.024 nan 4.420 nan 0.000 0.269 934 P C -0.651 176.575 177.300 -0.122 0.000 1.217 934 P CA -0.340 62.627 63.100 -0.222 0.000 0.783 934 P CB 0.914 32.270 31.700 -0.574 0.000 0.898 935 K N 2.112 122.361 120.400 -0.252 0.000 2.295 935 K HA 0.047 4.367 4.320 -0.001 0.000 0.270 935 K C 0.076 176.247 176.600 -0.715 0.000 1.011 935 K CA -0.412 55.511 56.287 -0.608 0.000 0.953 935 K CB -0.010 31.845 32.500 -1.074 0.000 0.956 935 K HN 0.375 nan 8.250 nan 0.000 0.477 936 Y N 0.956 120.867 120.300 -0.647 0.000 2.652 936 Y HA 0.118 4.667 4.550 -0.001 0.000 0.344 936 Y C 0.003 175.642 175.900 -0.436 0.000 1.254 936 Y CA -0.723 56.919 58.100 -0.765 0.000 1.480 936 Y CB 0.186 37.835 38.460 -1.352 0.000 1.345 936 Y HN 0.197 nan 8.280 nan 0.000 0.617 937 K N 3.024 123.371 120.400 -0.089 0.000 2.349 937 K HA 0.053 4.373 4.320 -0.001 0.000 0.288 937 K C 0.479 177.119 176.600 0.067 0.000 1.058 937 K CA -0.103 56.159 56.287 -0.043 0.000 0.953 937 K CB 0.658 33.155 32.500 -0.005 0.000 0.997 937 K HN 0.778 nan 8.250 nan 0.000 0.477 938 N N 1.968 120.724 118.700 0.093 0.000 2.132 938 N HA -0.211 4.529 4.740 -0.001 0.000 0.191 938 N C 0.808 176.396 175.510 0.130 0.000 1.015 938 N CA 1.429 54.590 53.050 0.184 0.000 0.864 938 N CB 0.087 38.730 38.487 0.259 0.000 1.006 938 N HN 0.639 nan 8.380 nan 0.000 0.430 939 D N -1.331 119.120 120.400 0.086 0.000 2.336 939 D HA 0.072 4.712 4.640 -0.001 0.000 0.228 939 D C 0.756 177.080 176.300 0.040 0.000 1.120 939 D CA 0.093 54.129 54.000 0.061 0.000 0.839 939 D CB -0.347 40.483 40.800 0.049 0.000 0.932 939 D HN 0.195 nan 8.370 nan 0.000 0.509 940 G N 0.325 109.150 108.800 0.040 0.000 4.530 940 G HA2 0.053 4.012 3.960 -0.001 0.000 0.284 940 G HA3 0.053 4.012 3.960 -0.001 0.000 0.284 940 G C 0.802 175.732 174.900 0.050 0.000 1.008 940 G CA -0.213 44.910 45.100 0.038 0.000 0.770 940 G HN 0.179 nan 8.290 nan 0.000 0.424 941 I N 0.260 120.835 120.570 0.008 0.000 2.530 941 I HA -0.093 4.077 4.170 -0.001 0.000 0.257 941 I C 2.268 178.387 176.117 0.002 0.000 1.179 941 I CA 1.300 62.584 61.300 -0.027 0.000 1.440 941 I CB 0.197 38.095 38.000 -0.170 0.000 1.087 941 I HN 0.092 nan 8.210 nan 0.000 0.440 942 Q N 0.367 120.147 119.800 -0.033 0.000 2.123 942 Q HA -0.077 4.262 4.340 -0.001 0.000 0.199 942 Q C 1.747 177.755 176.000 0.014 0.000 0.966 942 Q CA 1.218 56.982 55.803 -0.065 0.000 0.845 942 Q CB -0.343 28.345 28.738 -0.085 0.000 0.907 942 Q HN 0.613 nan 8.270 nan 0.000 0.439 943 N N -0.670 118.068 118.700 0.063 0.000 2.422 943 N HA -0.089 4.650 4.740 -0.001 0.000 0.181 943 N C 1.445 177.037 175.510 0.136 0.000 1.080 943 N CA 0.232 53.340 53.050 0.097 0.000 0.893 943 N CB -0.002 38.529 38.487 0.073 0.000 0.973 943 N HN 0.254 nan 8.380 nan 0.000 0.456 944 Y N 2.165 122.476 120.300 0.019 0.000 2.130 944 Y HA 0.026 4.575 4.550 -0.001 0.000 0.287 944 Y C 2.168 178.080 175.900 0.019 0.000 1.124 944 Y CA 1.216 59.340 58.100 0.040 0.000 1.118 944 Y CB -0.422 38.071 38.460 0.054 0.000 0.994 944 Y HN -0.157 nan 8.280 nan 0.000 0.497 945 I N -0.470 120.116 120.570 0.026 0.000 2.163 945 I HA -0.257 3.913 4.170 -0.001 0.000 0.243 945 I C 0.836 176.904 176.117 -0.081 0.000 1.085 945 I CA 1.570 62.816 61.300 -0.089 0.000 1.347 945 I CB -0.612 37.376 38.000 -0.021 0.000 1.044 945 I HN 0.257 nan 8.210 nan 0.000 0.408 946 H N 1.202 120.207 119.070 -0.110 0.000 2.525 946 H HA 0.360 4.916 4.556 -0.001 0.000 0.340 946 H C -0.710 174.576 175.328 -0.071 0.000 1.168 946 H CA -0.595 55.395 56.048 -0.096 0.000 1.247 946 H CB 0.835 30.550 29.762 -0.077 0.000 1.568 946 H HN 0.076 nan 8.280 nan 0.000 0.536 947 N N 1.512 119.928 118.700 -0.474 0.000 3.065 947 N HA -0.145 4.595 4.740 -0.001 0.000 0.266 947 N C -1.770 173.673 175.510 -0.113 0.000 1.150 947 N CA 0.655 53.572 53.050 -0.223 0.000 0.775 947 N CB -0.733 37.747 38.487 -0.011 0.000 1.095 947 N HN 0.797 nan 8.380 nan 0.000 0.533 948 E N 1.551 121.660 120.200 -0.152 0.000 2.166 948 E HA 0.592 4.941 4.350 -0.001 0.000 0.275 948 E C -0.777 175.808 176.600 -0.026 0.000 0.941 948 E CA -0.878 55.439 56.400 -0.139 0.000 0.784 948 E CB 1.015 30.584 29.700 -0.218 0.000 1.115 948 E HN 0.459 nan 8.360 nan 0.000 0.399 949 Y N 0.031 120.276 120.300 -0.093 0.000 2.429 949 Y HA 0.552 5.101 4.550 -0.002 0.000 0.342 949 Y C -0.313 175.558 175.900 -0.048 0.000 1.004 949 Y CA -1.317 56.743 58.100 -0.065 0.000 1.075 949 Y CB 1.404 39.835 38.460 -0.049 0.000 1.214 949 Y HN 0.310 nan 8.280 nan 0.000 0.455 950 T N 4.285 118.855 114.554 0.027 0.000 2.910 950 T HA 0.281 4.631 4.350 -0.001 0.000 0.293 950 T C 1.183 175.905 174.700 0.036 0.000 1.015 950 T CA -0.184 61.895 62.100 -0.034 0.000 1.094 950 T CB 0.722 69.566 68.868 -0.041 0.000 0.968 950 T HN 0.824 nan 8.240 nan 0.000 0.521 951 I N -0.642 119.924 120.570 -0.007 0.000 3.971 951 I HA 0.503 4.672 4.170 -0.001 0.000 0.303 951 I C -0.065 176.020 176.117 -0.054 0.000 1.233 951 I CA 0.068 61.391 61.300 0.038 0.000 1.346 951 I CB 0.530 38.562 38.000 0.055 0.000 1.273 951 I HN 0.343 nan 8.210 nan 0.000 0.448 952 I N 2.340 122.834 120.570 -0.127 0.000 2.499 952 I HA 0.359 4.528 4.170 -0.001 0.000 0.288 952 I C -1.198 174.768 176.117 -0.251 0.000 1.048 952 I CA -0.378 60.723 61.300 -0.331 0.000 1.062 952 I CB 1.987 39.753 38.000 -0.390 0.000 1.238 952 I HN 0.201 nan 8.210 nan 0.000 0.426 953 N N 5.267 123.751 118.700 -0.359 0.000 2.258 953 N HA 0.535 5.274 4.740 -0.001 0.000 0.299 953 N C -1.834 173.340 175.510 -0.560 0.000 1.047 953 N CA -0.340 52.490 53.050 -0.367 0.000 0.814 953 N CB 2.548 40.895 38.487 -0.233 0.000 1.413 953 N HN 0.649 nan 8.380 nan 0.000 0.478 954 C N 6.408 125.250 119.300 -0.764 0.000 2.919 954 C HA 0.537 4.996 4.460 -0.001 0.000 0.337 954 C C -1.284 173.335 174.990 -0.619 0.000 1.039 954 C CA -0.491 58.001 59.018 -0.877 0.000 1.373 954 C CB -0.464 26.187 27.740 -1.814 0.000 1.843 954 C HN 0.661 nan 8.230 nan 0.000 0.493 955 M N 3.991 123.385 119.600 -0.343 0.000 2.572 955 M HA 0.633 5.112 4.480 -0.001 0.000 0.299 955 M C -0.360 175.857 176.300 -0.138 0.000 1.205 955 M CA -0.335 54.832 55.300 -0.221 0.000 0.876 955 M CB 1.554 34.048 32.600 -0.175 0.000 1.728 955 M HN 0.583 nan 8.290 nan 0.000 0.458 956 K N 1.043 121.384 120.400 -0.099 0.000 2.637 956 K HA 0.569 4.889 4.320 -0.001 0.000 0.248 956 K C -0.165 176.404 176.600 -0.051 0.000 0.971 956 K CA -0.689 55.562 56.287 -0.060 0.000 0.858 956 K CB 0.350 32.826 32.500 -0.040 0.000 1.170 956 K HN 0.773 nan 8.250 nan 0.000 0.443 957 N N 3.025 121.698 118.700 -0.044 0.000 2.725 957 N HA -0.221 4.518 4.740 -0.001 0.000 0.251 957 N C -0.346 175.138 175.510 -0.043 0.000 1.031 957 N CA 1.288 54.315 53.050 -0.037 0.000 0.720 957 N CB -1.009 37.461 38.487 -0.028 0.000 0.930 957 N HN 0.970 nan 8.380 nan 0.000 0.543 958 N N -3.066 115.602 118.700 -0.053 0.000 2.878 958 N HA -0.191 4.548 4.740 -0.001 0.000 0.247 958 N C -0.362 175.112 175.510 -0.060 0.000 1.021 958 N CA 1.503 54.519 53.050 -0.055 0.000 0.873 958 N CB -1.172 37.289 38.487 -0.043 0.000 1.128 958 N HN 0.650 nan 8.380 nan 0.000 0.571 959 S N -1.067 114.593 115.700 -0.065 0.000 2.536 959 S HA 0.842 5.312 4.470 -0.001 0.000 0.287 959 S C 0.230 174.779 174.600 -0.085 0.000 1.101 959 S CA 0.471 58.633 58.200 -0.065 0.000 0.950 959 S CB 2.180 65.351 63.200 -0.049 0.000 1.056 959 S HN 0.831 nan 8.310 nan 0.000 0.481 960 G N 2.710 111.461 108.800 -0.082 0.000 2.367 960 G HA2 0.289 4.249 3.960 -0.001 0.000 0.272 960 G HA3 0.289 4.249 3.960 -0.001 0.000 0.272 960 G C -1.758 173.115 174.900 -0.045 0.000 1.271 960 G CA -0.198 44.839 45.100 -0.105 0.000 0.893 960 G HN 0.946 nan 8.290 nan 0.000 0.485 961 W N -0.091 121.127 121.300 -0.137 0.000 2.902 961 W HA 0.890 5.548 4.660 -0.003 0.000 0.346 961 W C -0.907 175.423 176.519 -0.314 0.000 1.139 961 W CA -1.230 55.910 57.345 -0.342 0.000 1.139 961 W CB 1.845 31.055 29.460 -0.417 0.000 1.439 961 W HN 0.769 nan 8.180 nan 0.000 0.558 962 K N 1.551 121.871 120.400 -0.132 0.000 2.543 962 K HA 0.507 4.826 4.320 -0.001 0.000 0.255 962 K C -1.856 174.778 176.600 0.058 0.000 0.934 962 K CA -0.649 55.604 56.287 -0.056 0.000 0.810 962 K CB 2.445 34.866 32.500 -0.132 0.000 1.315 962 K HN 0.614 nan 8.250 nan 0.000 0.433 963 I N 3.396 124.087 120.570 0.201 0.000 2.339 963 I HA 0.264 4.433 4.170 -0.001 0.000 0.290 963 I C -0.099 176.068 176.117 0.084 0.000 0.994 963 I CA -0.401 61.063 61.300 0.274 0.000 1.191 963 I CB 1.791 40.029 38.000 0.397 0.000 1.343 963 I HN 0.674 nan 8.210 nan 0.000 0.458 964 S N 6.818 122.537 115.700 0.032 0.000 2.667 964 S HA 0.811 5.281 4.470 -0.001 0.000 0.292 964 S C -0.823 173.653 174.600 -0.206 0.000 1.126 964 S CA -0.792 57.334 58.200 -0.123 0.000 0.881 964 S CB 2.360 65.479 63.200 -0.136 0.000 1.132 964 S HN 0.454 nan 8.310 nan 0.000 0.492 965 I N 0.723 120.997 120.570 -0.494 0.000 2.569 965 I HA 0.490 4.659 4.170 -0.001 0.000 0.290 965 I C -0.398 175.375 176.117 -0.574 0.000 1.088 965 I CA -0.472 60.507 61.300 -0.535 0.000 1.047 965 I CB 2.405 40.036 38.000 -0.614 0.000 1.237 965 I HN 0.765 nan 8.210 nan 0.000 0.421 966 R N 4.980 125.249 120.500 -0.385 0.000 2.477 966 R HA 0.524 4.864 4.340 -0.001 0.000 0.285 966 R C 0.523 176.558 176.300 -0.442 0.000 1.415 966 R CA 0.488 56.379 56.100 -0.349 0.000 1.446 966 R CB 0.500 30.596 30.300 -0.340 0.000 1.110 966 R HN 0.976 nan 8.270 nan 0.000 0.590 967 G N 3.347 111.843 108.800 -0.507 0.000 2.687 967 G HA2 -0.445 3.515 3.960 -0.001 0.000 0.303 967 G HA3 -0.445 3.515 3.960 -0.001 0.000 0.303 967 G C 0.176 174.650 174.900 -0.710 0.000 1.209 967 G CA 0.441 44.830 45.100 -1.186 0.000 0.968 967 G HN 0.684 nan 8.290 nan 0.000 0.549 968 N N 1.302 119.609 118.700 -0.656 0.000 2.327 968 N HA 0.202 4.941 4.740 -0.001 0.000 0.231 968 N C 0.498 175.450 175.510 -0.929 0.000 1.130 968 N CA 0.762 53.370 53.050 -0.737 0.000 0.845 968 N CB 0.375 38.554 38.487 -0.514 0.000 1.073 968 N HN 0.911 nan 8.380 nan 0.000 0.496 969 R N 0.252 120.449 120.500 -0.507 0.000 2.538 969 R HA 0.445 4.784 4.340 -0.001 0.000 0.292 969 R C -1.563 174.662 176.300 -0.126 0.000 1.008 969 R CA -0.702 55.193 56.100 -0.342 0.000 0.896 969 R CB 1.305 31.362 30.300 -0.404 0.000 1.187 969 R HN 0.217 nan 8.270 nan 0.000 0.440 970 I N 5.560 126.184 120.570 0.091 0.000 2.437 970 I HA 0.473 4.642 4.170 -0.001 0.000 0.298 970 I C -1.088 175.163 176.117 0.224 0.000 0.984 970 I CA -0.828 60.590 61.300 0.197 0.000 1.214 970 I CB 1.095 39.334 38.000 0.399 0.000 1.365 970 I HN 0.640 nan 8.210 nan 0.000 0.469 971 I N 7.029 127.712 120.570 0.189 0.000 2.582 971 I HA 0.299 4.468 4.170 -0.001 0.000 0.292 971 I C -1.277 175.033 176.117 0.322 0.000 1.066 971 I CA -0.499 60.943 61.300 0.237 0.000 1.053 971 I CB 1.917 39.959 38.000 0.070 0.000 1.241 971 I HN 0.615 nan 8.210 nan 0.000 0.421 972 W N 5.930 127.324 121.300 0.156 0.000 2.529 972 W HA 0.625 5.284 4.660 -0.002 0.000 0.321 972 W C -1.541 175.061 176.519 0.138 0.000 1.047 972 W CA -0.357 57.078 57.345 0.150 0.000 1.216 972 W CB 2.035 31.559 29.460 0.107 0.000 1.357 972 W HN 0.410 nan 8.180 nan 0.000 0.489 973 T N 6.678 120.928 114.554 -0.507 0.000 2.921 973 T HA 0.499 4.848 4.350 -0.001 0.000 0.297 973 T C -0.554 173.838 174.700 -0.513 0.000 1.013 973 T CA -0.525 61.347 62.100 -0.379 0.000 0.990 973 T CB 1.664 70.427 68.868 -0.175 0.000 1.023 973 T HN 0.296 nan 8.240 nan 0.000 0.447 974 L N 3.390 124.451 121.223 -0.270 0.000 2.334 974 L HA 0.684 5.024 4.340 -0.001 0.000 0.276 974 L C -0.674 176.157 176.870 -0.065 0.000 1.014 974 L CA -0.961 53.800 54.840 -0.132 0.000 0.815 974 L CB 1.756 43.821 42.059 0.011 0.000 1.268 974 L HN 0.544 nan 8.230 nan 0.000 0.428 975 I N 2.043 122.586 120.570 -0.045 0.000 2.493 975 I HA 0.145 4.314 4.170 -0.001 0.000 0.279 975 I C -0.766 175.335 176.117 -0.028 0.000 1.045 975 I CA -0.809 60.466 61.300 -0.041 0.000 1.106 975 I CB 1.629 39.593 38.000 -0.060 0.000 1.216 975 I HN 0.620 nan 8.210 nan 0.000 0.459 976 D N 5.518 125.907 120.400 -0.018 0.000 2.362 976 D HA -0.037 4.602 4.640 -0.001 0.000 0.238 976 D C 1.547 177.833 176.300 -0.023 0.000 1.212 976 D CA -0.365 53.625 54.000 -0.017 0.000 0.902 976 D CB 0.914 41.709 40.800 -0.008 0.000 1.180 976 D HN 0.623 nan 8.370 nan 0.000 0.445 977 I N -2.666 117.890 120.570 -0.024 0.000 2.761 977 I HA -0.283 3.886 4.170 -0.001 0.000 0.266 977 I C 0.792 176.896 176.117 -0.021 0.000 1.239 977 I CA 0.936 62.221 61.300 -0.025 0.000 1.451 977 I CB -0.592 37.394 38.000 -0.022 0.000 1.096 977 I HN 0.189 nan 8.210 nan 0.000 0.465 978 N N 1.966 120.656 118.700 -0.017 0.000 2.272 978 N HA 0.121 4.861 4.740 -0.001 0.000 0.195 978 N C 1.655 177.154 175.510 -0.018 0.000 1.048 978 N CA 1.758 54.800 53.050 -0.015 0.000 0.912 978 N CB -0.314 38.167 38.487 -0.010 0.000 1.096 978 N HN 0.518 nan 8.380 nan 0.000 0.471 979 G N -0.239 108.551 108.800 -0.018 0.000 4.589 979 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.218 979 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.218 979 G C -0.075 174.813 174.900 -0.020 0.000 0.678 979 G CA -0.459 44.627 45.100 -0.022 0.000 0.859 979 G HN 0.213 nan 8.290 nan 0.000 0.650 980 K N 1.289 121.681 120.400 -0.014 0.000 2.355 980 K HA 0.499 4.818 4.320 -0.001 0.000 0.270 980 K C -0.805 175.789 176.600 -0.011 0.000 1.003 980 K CA 0.593 56.874 56.287 -0.009 0.000 0.957 980 K CB 0.441 32.939 32.500 -0.002 0.000 0.939 980 K HN 0.021 nan 8.250 nan 0.000 0.482 981 T N 4.357 118.906 114.554 -0.009 0.000 2.921 981 T HA 0.352 4.701 4.350 -0.001 0.000 0.297 981 T C -1.327 173.375 174.700 0.003 0.000 1.013 981 T CA -1.004 61.089 62.100 -0.012 0.000 0.990 981 T CB 1.315 70.167 68.868 -0.026 0.000 1.023 981 T HN 0.406 nan 8.240 nan 0.000 0.447 982 K N 1.814 122.221 120.400 0.012 0.000 2.318 982 K HA 0.857 5.176 4.320 -0.001 0.000 0.249 982 K C -0.864 175.767 176.600 0.052 0.000 0.942 982 K CA -0.884 55.426 56.287 0.038 0.000 0.808 982 K CB 2.321 34.852 32.500 0.053 0.000 1.189 982 K HN 0.611 nan 8.250 nan 0.000 0.428 983 S N 0.170 115.925 115.700 0.091 0.000 2.536 983 S HA 0.454 4.923 4.470 -0.001 0.000 0.271 983 S C -1.296 173.425 174.600 0.202 0.000 1.134 983 S CA -0.800 57.487 58.200 0.145 0.000 0.897 983 S CB 2.333 65.606 63.200 0.121 0.000 1.094 983 S HN 0.356 nan 8.310 nan 0.000 0.473 984 V N 3.587 123.658 119.914 0.262 0.000 2.960 984 V HA 1.002 5.122 4.120 -0.001 0.000 0.315 984 V C -1.880 174.375 176.094 0.269 0.000 1.087 984 V CA -0.843 61.547 62.300 0.150 0.000 0.982 984 V CB 1.621 33.490 31.823 0.077 0.000 1.039 984 V HN 0.913 nan 8.190 nan 0.000 0.437 985 F N 3.742 123.739 119.950 0.078 0.000 2.693 985 F HA 0.742 5.268 4.527 -0.002 0.000 0.309 985 F C -1.911 173.952 175.800 0.106 0.000 1.129 985 F CA -1.434 56.620 58.000 0.091 0.000 0.948 985 F CB 1.271 40.293 39.000 0.038 0.000 1.315 985 F HN 0.550 nan 8.300 nan 0.000 0.447 986 F N 2.106 122.182 119.950 0.211 0.000 2.480 986 F HA 0.691 5.218 4.527 -0.001 0.000 0.329 986 F C -0.929 174.950 175.800 0.132 0.000 1.091 986 F CA -0.768 57.269 58.000 0.061 0.000 0.972 986 F CB 1.792 40.780 39.000 -0.021 0.000 1.150 986 F HN 0.795 nan 8.300 nan 0.000 0.467 987 E N 6.189 125.902 120.200 -0.812 0.000 2.317 987 E HA 0.223 4.572 4.350 -0.001 0.000 0.270 987 E C -1.861 174.166 176.600 -0.955 0.000 0.899 987 E CA -0.668 55.271 56.400 -0.769 0.000 0.814 987 E CB 1.094 30.634 29.700 -0.267 0.000 1.296 987 E HN 0.642 nan 8.360 nan 0.000 0.404 988 Y N 2.124 121.916 120.300 -0.848 0.000 2.307 988 Y HA 0.472 5.022 4.550 -0.001 0.000 0.324 988 Y C 0.198 176.018 175.900 -0.133 0.000 1.238 988 Y CA -1.165 56.614 58.100 -0.535 0.000 1.280 988 Y CB 0.328 38.519 38.460 -0.447 0.000 1.248 988 Y HN 0.393 nan 8.280 nan 0.000 0.508 989 N N 1.948 120.748 118.700 0.167 0.000 2.529 989 N HA 0.205 4.944 4.740 -0.001 0.000 0.278 989 N C -0.099 175.582 175.510 0.285 0.000 1.146 989 N CA -0.624 52.523 53.050 0.162 0.000 0.980 989 N CB 0.547 39.115 38.487 0.135 0.000 1.124 989 N HN 0.800 nan 8.380 nan 0.000 0.458 990 I N -0.250 120.457 120.570 0.229 0.000 3.856 990 I HA 0.405 4.574 4.170 -0.001 0.000 0.333 990 I C 0.195 176.433 176.117 0.200 0.000 1.525 990 I CA -0.245 61.228 61.300 0.289 0.000 1.173 990 I CB 0.132 38.277 38.000 0.242 0.000 1.175 990 I HN 0.373 nan 8.210 nan 0.000 0.424 991 R N 0.930 121.536 120.500 0.176 0.000 2.566 991 R HA 0.332 4.671 4.340 -0.001 0.000 0.388 991 R C -0.293 176.102 176.300 0.159 0.000 0.989 991 R CA -0.221 55.958 56.100 0.132 0.000 1.164 991 R CB 0.821 31.160 30.300 0.065 0.000 1.459 991 R HN 0.478 nan 8.270 nan 0.000 0.553 992 E N 1.058 121.383 120.200 0.209 0.000 2.349 992 E HA 0.035 4.384 4.350 -0.001 0.000 0.265 992 E C -0.012 176.728 176.600 0.234 0.000 1.064 992 E CA -0.363 56.157 56.400 0.200 0.000 0.886 992 E CB 1.031 30.859 29.700 0.213 0.000 1.036 992 E HN -0.001 nan 8.360 nan 0.000 0.413 993 D N 0.750 121.266 120.400 0.193 0.000 2.117 993 D HA -0.066 4.573 4.640 -0.001 0.000 0.197 993 D C 0.387 176.826 176.300 0.233 0.000 0.987 993 D CA 1.361 55.483 54.000 0.204 0.000 0.829 993 D CB 0.331 41.224 40.800 0.155 0.000 0.961 993 D HN 0.234 nan 8.370 nan 0.000 0.460 994 I N 0.381 121.076 120.570 0.209 0.000 2.500 994 I HA 0.113 4.283 4.170 -0.001 0.000 0.286 994 I C -0.313 175.905 176.117 0.168 0.000 1.063 994 I CA -0.486 60.921 61.300 0.178 0.000 1.062 994 I CB 1.746 39.869 38.000 0.206 0.000 1.223 994 I HN -0.277 nan 8.210 nan 0.000 0.435 995 S N 4.694 120.507 115.700 0.189 0.000 2.541 995 S HA 0.369 4.839 4.470 -0.001 0.000 0.283 995 S C 0.794 175.397 174.600 0.006 0.000 1.196 995 S CA -0.498 57.809 58.200 0.178 0.000 1.062 995 S CB 0.913 64.306 63.200 0.322 0.000 1.009 995 S HN 0.669 nan 8.310 nan 0.000 0.502 996 E N 3.024 123.124 120.200 -0.166 0.000 2.451 996 E HA 0.121 4.470 4.350 -0.001 0.000 0.194 996 E C -0.220 176.052 176.600 -0.547 0.000 1.027 996 E CA 0.120 56.268 56.400 -0.420 0.000 0.914 996 E CB 0.014 29.406 29.700 -0.514 0.000 1.054 996 E HN 0.797 nan 8.360 nan 0.000 0.461 997 Y N 0.459 120.719 120.300 -0.067 0.000 2.701 997 Y HA 0.312 4.861 4.550 -0.002 0.000 0.275 997 Y C 1.069 176.913 175.900 -0.093 0.000 1.133 997 Y CA -0.780 57.197 58.100 -0.205 0.000 1.241 997 Y CB 0.559 38.583 38.460 -0.726 0.000 1.389 997 Y HN -0.103 nan 8.280 nan 0.000 0.486 998 I N 3.202 123.815 120.570 0.071 0.000 2.872 998 I HA -0.220 3.949 4.170 -0.001 0.000 0.287 998 I C 1.032 177.385 176.117 0.393 0.000 1.197 998 I CA 1.116 62.563 61.300 0.246 0.000 1.390 998 I CB -0.287 37.994 38.000 0.469 0.000 1.400 998 I HN 0.572 nan 8.210 nan 0.000 0.544 999 N N 4.112 122.968 118.700 0.260 0.000 2.815 999 N HA -0.220 4.519 4.740 -0.001 0.000 0.247 999 N C -0.173 175.482 175.510 0.242 0.000 1.030 999 N CA 0.691 53.819 53.050 0.131 0.000 0.881 999 N CB -0.147 38.336 38.487 -0.005 0.000 1.134 999 N HN 0.604 nan 8.380 nan 0.000 0.582 1000 R N -0.128 120.599 120.500 0.379 0.000 2.460 1000 R HA 0.224 4.563 4.340 -0.001 0.000 0.303 1000 R C -0.680 175.908 176.300 0.480 0.000 0.968 1000 R CA -0.600 55.761 56.100 0.435 0.000 0.889 1000 R CB 0.648 31.144 30.300 0.328 0.000 1.123 1000 R HN 0.109 nan 8.270 nan 0.000 0.455 1001 W N 3.932 125.466 121.300 0.390 0.000 2.343 1001 W HA -0.001 4.659 4.660 0.000 0.000 0.337 1001 W C 0.092 177.034 176.519 0.704 0.000 1.320 1001 W CA 0.412 58.021 57.345 0.440 0.000 1.290 1001 W CB 0.222 29.895 29.460 0.355 0.000 1.206 1001 W HN 0.462 nan 8.180 nan 0.000 0.565 1002 F N 3.012 123.494 119.950 0.886 0.000 2.628 1002 F HA 0.493 5.019 4.527 -0.000 0.000 0.309 1002 F C -1.552 174.423 175.800 0.290 0.000 1.108 1002 F CA -2.542 55.815 58.000 0.594 0.000 0.971 1002 F CB 0.344 39.609 39.000 0.442 0.000 1.279 1002 F HN 0.117 nan 8.300 nan 0.000 0.441 1003 F N 3.655 123.466 119.950 -0.231 0.000 2.456 1003 F HA 0.670 5.196 4.527 -0.002 0.000 0.358 1003 F C -0.851 174.713 175.800 -0.395 0.000 1.095 1003 F CA -0.873 56.592 58.000 -0.893 0.000 1.216 1003 F CB 1.077 39.360 39.000 -1.195 0.000 1.125 1003 F HN 0.420 nan 8.300 nan 0.000 0.549 1004 V N 5.030 124.301 119.914 -1.072 0.000 2.540 1004 V HA 0.560 4.679 4.120 -0.001 0.000 0.302 1004 V C -0.513 174.717 176.094 -1.440 0.000 1.035 1004 V CA -0.607 61.071 62.300 -1.036 0.000 0.873 1004 V CB 2.033 33.301 31.823 -0.926 0.000 0.992 1004 V HN 0.844 nan 8.190 nan 0.000 0.428 1005 T N 5.674 119.624 114.554 -1.007 0.000 2.971 1005 T HA 0.666 5.016 4.350 -0.001 0.000 0.304 1005 T C -0.730 173.653 174.700 -0.529 0.000 1.038 1005 T CA -0.245 61.358 62.100 -0.829 0.000 1.007 1005 T CB 1.414 69.803 68.868 -0.798 0.000 1.055 1005 T HN 0.409 nan 8.240 nan 0.000 0.451 1006 I N 3.357 123.561 120.570 -0.609 0.000 2.418 1006 I HA 0.484 4.653 4.170 -0.001 0.000 0.287 1006 I C 0.315 175.987 176.117 -0.742 0.000 1.008 1006 I CA -0.699 60.182 61.300 -0.698 0.000 1.104 1006 I CB 2.035 39.378 38.000 -1.094 0.000 1.264 1006 I HN 0.697 nan 8.210 nan 0.000 0.438 1007 T N 2.278 116.526 114.554 -0.510 0.000 2.908 1007 T HA 0.561 4.911 4.350 -0.001 0.000 0.290 1007 T C -0.696 173.822 174.700 -0.302 0.000 1.034 1007 T CA -0.896 60.953 62.100 -0.418 0.000 1.010 1007 T CB 1.924 70.640 68.868 -0.254 0.000 1.068 1007 T HN 0.491 nan 8.240 nan 0.000 0.481 1008 N N 2.651 121.244 118.700 -0.179 0.000 2.500 1008 N HA 0.317 5.056 4.740 -0.001 0.000 0.291 1008 N C -1.270 174.254 175.510 0.024 0.000 1.092 1008 N CA -0.644 52.419 53.050 0.021 0.000 0.890 1008 N CB 2.260 40.920 38.487 0.288 0.000 1.466 1008 N HN 0.887 nan 8.380 nan 0.000 0.507 1009 N N 0.388 119.070 118.700 -0.030 0.000 2.741 1009 N HA 0.341 5.080 4.740 -0.001 0.000 0.310 1009 N C 1.313 176.775 175.510 -0.080 0.000 1.295 1009 N CA -0.760 52.231 53.050 -0.098 0.000 0.893 1009 N CB 0.327 38.785 38.487 -0.048 0.000 1.247 1009 N HN 0.147 nan 8.380 nan 0.000 0.596 1010 L N -1.730 119.450 121.223 -0.072 0.000 2.054 1010 L HA -0.197 4.142 4.340 -0.001 0.000 0.220 1010 L C 0.629 177.519 176.870 0.032 0.000 1.081 1010 L CA 1.873 56.724 54.840 0.019 0.000 0.780 1010 L CB -1.499 40.639 42.059 0.131 0.000 0.893 1010 L HN 0.766 nan 8.230 nan 0.000 0.438 1011 N N -1.708 117.009 118.700 0.029 0.000 2.305 1011 N HA 0.195 4.935 4.740 -0.001 0.000 0.248 1011 N C -0.542 174.982 175.510 0.022 0.000 1.290 1011 N CA -0.120 52.947 53.050 0.030 0.000 0.873 1011 N CB 0.262 38.767 38.487 0.029 0.000 1.261 1011 N HN 0.354 nan 8.380 nan 0.000 0.504 1012 N N 0.924 119.635 118.700 0.019 0.000 2.406 1012 N HA 0.387 5.126 4.740 -0.001 0.000 0.283 1012 N C -1.564 173.953 175.510 0.013 0.000 1.074 1012 N CA -0.315 52.740 53.050 0.008 0.000 0.916 1012 N CB 2.614 41.093 38.487 -0.014 0.000 1.639 1012 N HN 0.202 nan 8.380 nan 0.000 0.485 1013 A N 2.080 124.914 122.820 0.023 0.000 2.287 1013 A HA 0.680 4.999 4.320 -0.001 0.000 0.317 1013 A C -0.350 177.192 177.584 -0.070 0.000 1.220 1013 A CA -0.473 51.576 52.037 0.020 0.000 0.835 1013 A CB 0.699 19.813 19.000 0.190 0.000 1.180 1013 A HN 0.523 nan 8.150 nan 0.000 0.500 1014 K N 1.650 121.959 120.400 -0.153 0.000 2.328 1014 K HA 0.739 5.058 4.320 -0.001 0.000 0.246 1014 K C -1.283 175.149 176.600 -0.279 0.000 0.955 1014 K CA -0.470 55.683 56.287 -0.224 0.000 0.817 1014 K CB 2.525 34.883 32.500 -0.236 0.000 1.208 1014 K HN 0.625 nan 8.250 nan 0.000 0.432 1015 I N 2.596 122.949 120.570 -0.361 0.000 2.436 1015 I HA 0.313 4.483 4.170 -0.001 0.000 0.289 1015 I C -1.274 174.571 176.117 -0.454 0.000 1.010 1015 I CA -0.860 60.254 61.300 -0.309 0.000 1.098 1015 I CB 1.021 38.912 38.000 -0.182 0.000 1.266 1015 I HN 0.471 nan 8.210 nan 0.000 0.434 1016 Y N 6.163 126.216 120.300 -0.412 0.000 2.409 1016 Y HA 0.553 5.103 4.550 -0.000 0.000 0.339 1016 Y C -0.080 175.504 175.900 -0.527 0.000 1.033 1016 Y CA -0.982 56.860 58.100 -0.430 0.000 1.094 1016 Y CB 1.752 39.971 38.460 -0.402 0.000 1.210 1016 Y HN 0.211 nan 8.280 nan 0.000 0.456 1017 I N 3.554 123.890 120.570 -0.390 0.000 2.439 1017 I HA 0.204 4.373 4.170 -0.001 0.000 0.283 1017 I C -0.430 175.469 176.117 -0.364 0.000 1.023 1017 I CA -1.038 59.984 61.300 -0.464 0.000 1.100 1017 I CB 1.133 38.606 38.000 -0.877 0.000 1.238 1017 I HN 0.740 nan 8.210 nan 0.000 0.445 1018 N N 5.048 123.524 118.700 -0.374 0.000 2.740 1018 N HA -0.200 4.540 4.740 -0.001 0.000 0.248 1018 N C 1.165 176.141 175.510 -0.890 0.000 1.062 1018 N CA 1.290 53.794 53.050 -0.909 0.000 0.704 1018 N CB -1.059 36.995 38.487 -0.722 0.000 0.968 1018 N HN 1.139 nan 8.380 nan 0.000 0.547 1019 G N -1.114 107.478 108.800 -0.347 0.000 2.212 1019 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.266 1019 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.266 1019 G C 0.038 174.915 174.900 -0.039 0.000 0.978 1019 G CA 0.975 45.991 45.100 -0.140 0.000 0.632 1019 G HN 0.696 nan 8.290 nan 0.000 0.537 1020 K N 0.265 120.602 120.400 -0.104 0.000 2.159 1020 K HA 0.660 4.979 4.320 -0.001 0.000 0.266 1020 K C 0.078 176.592 176.600 -0.145 0.000 0.975 1020 K CA -1.081 55.162 56.287 -0.074 0.000 0.865 1020 K CB 1.109 33.535 32.500 -0.123 0.000 1.087 1020 K HN 0.175 nan 8.250 nan 0.000 0.446 1021 L N 3.997 125.083 121.223 -0.229 0.000 2.410 1021 L HA 0.067 4.406 4.340 -0.001 0.000 0.273 1021 L C 0.686 177.323 176.870 -0.389 0.000 1.152 1021 L CA 0.740 55.229 54.840 -0.586 0.000 0.855 1021 L CB 0.712 42.438 42.059 -0.556 0.000 1.129 1021 L HN 0.778 nan 8.230 nan 0.000 0.463 1022 E N 1.860 121.809 120.200 -0.418 0.000 2.290 1022 E HA 0.196 4.545 4.350 -0.001 0.000 0.199 1022 E C -0.194 176.284 176.600 -0.203 0.000 0.912 1022 E CA 0.761 57.011 56.400 -0.249 0.000 0.924 1022 E CB 0.452 30.003 29.700 -0.249 0.000 0.901 1022 E HN 0.707 nan 8.360 nan 0.000 0.487 1023 S N 0.399 115.937 115.700 -0.270 0.000 2.550 1023 S HA 0.551 5.020 4.470 -0.001 0.000 0.270 1023 S C -0.900 173.546 174.600 -0.258 0.000 1.145 1023 S CA -1.041 57.012 58.200 -0.246 0.000 0.852 1023 S CB 2.433 65.472 63.200 -0.268 0.000 1.119 1023 S HN 0.011 nan 8.310 nan 0.000 0.465 1024 N N 0.295 118.872 118.700 -0.205 0.000 2.310 1024 N HA 0.502 5.241 4.740 -0.001 0.000 0.292 1024 N C -1.863 173.581 175.510 -0.110 0.000 1.049 1024 N CA -0.132 52.821 53.050 -0.162 0.000 0.849 1024 N CB 2.470 40.866 38.487 -0.151 0.000 1.532 1024 N HN 0.714 nan 8.380 nan 0.000 0.479 1025 T N 1.737 116.252 114.554 -0.064 0.000 2.812 1025 T HA 0.153 4.502 4.350 -0.001 0.000 0.282 1025 T C -0.971 173.729 174.700 0.000 0.000 0.990 1025 T CA -0.555 61.531 62.100 -0.024 0.000 0.960 1025 T CB 0.978 69.857 68.868 0.018 0.000 0.948 1025 T HN 0.363 nan 8.240 nan 0.000 0.438 1026 D N 3.592 123.990 120.400 -0.002 0.000 2.358 1026 D HA 0.080 4.720 4.640 -0.001 0.000 0.258 1026 D C 0.779 177.094 176.300 0.025 0.000 1.223 1026 D CA -0.162 53.843 54.000 0.007 0.000 0.886 1026 D CB 0.516 41.317 40.800 0.001 0.000 1.120 1026 D HN 0.648 nan 8.370 nan 0.000 0.482 1027 I N 1.129 121.721 120.570 0.036 0.000 3.654 1027 I HA 0.232 4.401 4.170 -0.001 0.000 0.337 1027 I C 1.380 177.521 176.117 0.041 0.000 1.568 1027 I CA -0.705 60.624 61.300 0.049 0.000 1.115 1027 I CB 0.577 38.624 38.000 0.079 0.000 1.300 1027 I HN 0.031 nan 8.210 nan 0.000 0.471 1028 K N 1.891 122.309 120.400 0.031 0.000 2.063 1028 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 1028 K C 1.340 177.957 176.600 0.029 0.000 1.048 1028 K CA 1.839 58.144 56.287 0.031 0.000 0.928 1028 K CB -0.235 32.280 32.500 0.025 0.000 0.713 1028 K HN 0.451 nan 8.250 nan 0.000 0.442 1029 D N 0.795 121.210 120.400 0.025 0.000 2.327 1029 D HA -0.192 4.447 4.640 -0.001 0.000 0.205 1029 D C 0.484 176.797 176.300 0.022 0.000 1.036 1029 D CA 1.417 55.429 54.000 0.021 0.000 0.897 1029 D CB -0.345 40.466 40.800 0.018 0.000 1.117 1029 D HN 0.172 nan 8.370 nan 0.000 0.471 1030 I N 1.302 121.886 120.570 0.023 0.000 3.173 1030 I HA -0.279 3.890 4.170 -0.001 0.000 0.282 1030 I C 1.541 177.669 176.117 0.017 0.000 0.998 1030 I CA 0.946 62.258 61.300 0.020 0.000 2.258 1030 I CB -0.999 37.019 38.000 0.030 0.000 0.945 1030 I HN 0.142 nan 8.210 nan 0.000 0.387 1031 R N 6.720 127.225 120.500 0.009 0.000 2.221 1031 R HA 0.270 4.610 4.340 -0.001 0.000 0.157 1031 R C 0.774 177.074 176.300 -0.000 0.000 0.876 1031 R CA 0.314 56.418 56.100 0.007 0.000 1.500 1031 R CB -0.134 30.168 30.300 0.002 0.000 1.353 1031 R HN 0.786 nan 8.270 nan 0.000 0.598 1032 E N -0.170 120.026 120.200 -0.007 0.000 2.422 1032 E HA 0.314 4.663 4.350 -0.001 0.000 0.260 1032 E C -1.169 175.409 176.600 -0.036 0.000 1.108 1032 E CA 0.077 56.465 56.400 -0.021 0.000 0.943 1032 E CB 0.693 30.380 29.700 -0.022 0.000 0.961 1032 E HN 0.286 nan 8.360 nan 0.000 0.443 1033 V N 5.429 125.302 119.914 -0.067 0.000 2.509 1033 V HA 0.232 4.351 4.120 -0.001 0.000 0.289 1033 V C -0.161 175.861 176.094 -0.120 0.000 1.026 1033 V CA -0.604 61.650 62.300 -0.077 0.000 0.872 1033 V CB 0.976 32.755 31.823 -0.073 0.000 1.017 1033 V HN 0.584 nan 8.190 nan 0.000 0.436 1034 I N 3.420 123.941 120.570 -0.082 0.000 2.533 1034 I HA 0.377 4.547 4.170 -0.001 0.000 0.284 1034 I C 1.118 177.192 176.117 -0.071 0.000 1.109 1034 I CA 0.452 61.701 61.300 -0.084 0.000 1.412 1034 I CB 1.197 39.166 38.000 -0.051 0.000 1.396 1034 I HN 0.735 nan 8.210 nan 0.000 0.543 1035 A N 4.562 127.320 122.820 -0.104 0.000 2.548 1035 A HA 0.095 4.414 4.320 -0.001 0.000 0.236 1035 A C 0.913 178.666 177.584 0.282 0.000 1.246 1035 A CA -0.273 51.803 52.037 0.065 0.000 0.993 1035 A CB -0.156 18.723 19.000 -0.201 0.000 1.209 1035 A HN 0.786 nan 8.150 nan 0.000 0.570 1036 N N 0.516 119.342 118.700 0.210 0.000 2.378 1036 N HA 0.332 5.071 4.740 -0.001 0.000 0.243 1036 N C 0.599 176.213 175.510 0.174 0.000 1.137 1036 N CA 0.495 53.740 53.050 0.325 0.000 0.862 1036 N CB -0.044 38.649 38.487 0.342 0.000 1.116 1036 N HN 0.203 nan 8.380 nan 0.000 0.499 1037 G N -0.414 108.445 108.800 0.098 0.000 2.543 1037 G HA2 0.228 4.188 3.960 -0.001 0.000 0.290 1037 G HA3 0.228 4.188 3.960 -0.001 0.000 0.290 1037 G C -0.351 174.566 174.900 0.028 0.000 1.310 1037 G CA -0.704 44.413 45.100 0.028 0.000 1.025 1037 G HN 0.295 nan 8.290 nan 0.000 0.502 1038 E N -0.871 119.326 120.200 -0.005 0.000 2.383 1038 E HA 0.167 4.516 4.350 -0.001 0.000 0.264 1038 E C -0.388 176.176 176.600 -0.059 0.000 1.050 1038 E CA 0.319 56.723 56.400 0.006 0.000 0.896 1038 E CB 1.427 31.132 29.700 0.008 0.000 0.982 1038 E HN 0.190 nan 8.360 nan 0.000 0.424 1039 I N 3.581 124.150 120.570 -0.002 0.000 2.339 1039 I HA 0.225 4.395 4.170 -0.001 0.000 0.290 1039 I C -0.357 175.737 176.117 -0.039 0.000 0.994 1039 I CA -0.649 60.592 61.300 -0.097 0.000 1.191 1039 I CB 0.865 38.910 38.000 0.075 0.000 1.343 1039 I HN 0.222 nan 8.210 nan 0.000 0.458 1040 I N 6.753 127.223 120.570 -0.167 0.000 2.355 1040 I HA 0.293 4.462 4.170 -0.001 0.000 0.288 1040 I C -0.584 175.464 176.117 -0.115 0.000 0.999 1040 I CA -0.465 60.810 61.300 -0.043 0.000 1.163 1040 I CB 0.965 38.932 38.000 -0.054 0.000 1.316 1040 I HN 0.334 nan 8.210 nan 0.000 0.454 1041 F N 6.314 126.231 119.950 -0.055 0.000 2.350 1041 F HA 0.506 5.033 4.527 0.001 0.000 0.365 1041 F C 0.525 176.326 175.800 0.002 0.000 1.122 1041 F CA -0.382 57.593 58.000 -0.041 0.000 1.139 1041 F CB 0.681 39.639 39.000 -0.070 0.000 1.220 1041 F HN 0.359 nan 8.300 nan 0.000 0.499 1042 K N 3.692 124.170 120.400 0.130 0.000 2.572 1042 K HA 0.388 4.707 4.320 -0.001 0.000 0.263 1042 K C -1.634 175.018 176.600 0.087 0.000 0.932 1042 K CA -0.700 55.646 56.287 0.099 0.000 0.838 1042 K CB 1.608 34.140 32.500 0.052 0.000 1.366 1042 K HN 0.485 nan 8.250 nan 0.000 0.425 1043 L N 2.902 124.180 121.223 0.092 0.000 2.410 1043 L HA 0.204 4.543 4.340 -0.001 0.000 0.273 1043 L C -0.396 176.521 176.870 0.079 0.000 1.144 1043 L CA 0.263 55.176 54.840 0.122 0.000 0.863 1043 L CB 0.531 42.618 42.059 0.047 0.000 1.140 1043 L HN 0.678 nan 8.230 nan 0.000 0.463 1044 D N 2.349 122.823 120.400 0.124 0.000 2.686 1044 D HA 0.672 5.311 4.640 -0.001 0.000 0.249 1044 D C -0.212 176.139 176.300 0.085 0.000 1.260 1044 D CA 0.155 54.192 54.000 0.063 0.000 0.910 1044 D CB 1.585 42.399 40.800 0.023 0.000 1.323 1044 D HN 0.718 nan 8.370 nan 0.000 0.561 1045 G N 2.666 111.492 108.800 0.044 0.000 2.340 1045 G HA2 0.066 4.025 3.960 -0.001 0.000 0.282 1045 G HA3 0.066 4.025 3.960 -0.001 0.000 0.282 1045 G C -1.217 173.688 174.900 0.008 0.000 1.312 1045 G CA -0.960 44.164 45.100 0.040 0.000 0.942 1045 G HN 0.394 nan 8.290 nan 0.000 0.495 1046 D N 1.073 121.477 120.400 0.007 0.000 2.541 1046 D HA 0.354 4.994 4.640 -0.001 0.000 0.231 1046 D C 1.040 177.315 176.300 -0.042 0.000 1.163 1046 D CA 0.000 53.994 54.000 -0.011 0.000 1.077 1046 D CB -0.756 40.046 40.800 0.003 0.000 1.110 1046 D HN 0.644 nan 8.370 nan 0.000 0.499 1047 I N -0.949 119.567 120.570 -0.089 0.000 2.392 1047 I HA 0.395 4.564 4.170 -0.001 0.000 0.295 1047 I C 0.200 176.245 176.117 -0.119 0.000 0.985 1047 I CA -1.022 60.169 61.300 -0.183 0.000 1.221 1047 I CB 1.556 39.378 38.000 -0.297 0.000 1.366 1047 I HN -0.025 nan 8.210 nan 0.000 0.467 1048 D N 5.012 125.345 120.400 -0.112 0.000 2.389 1048 D HA 0.085 4.725 4.640 -0.001 0.000 0.247 1048 D C 1.434 177.700 176.300 -0.057 0.000 1.128 1048 D CA 0.173 54.137 54.000 -0.059 0.000 0.884 1048 D CB 1.689 42.469 40.800 -0.033 0.000 1.194 1048 D HN 0.857 nan 8.370 nan 0.000 0.441 1049 R N 2.403 122.883 120.500 -0.033 0.000 2.204 1049 R HA -0.193 4.146 4.340 -0.001 0.000 0.253 1049 R C 2.074 178.374 176.300 -0.000 0.000 1.172 1049 R CA 2.516 58.603 56.100 -0.021 0.000 0.994 1049 R CB -2.021 28.272 30.300 -0.013 0.000 0.874 1049 R HN 0.775 nan 8.270 nan 0.000 0.462 1050 T N -2.888 111.675 114.554 0.015 0.000 3.129 1050 T HA 0.145 4.495 4.350 -0.001 0.000 0.251 1050 T C 0.842 175.621 174.700 0.131 0.000 1.117 1050 T CA 0.289 62.431 62.100 0.071 0.000 1.034 1050 T CB 0.095 69.006 68.868 0.072 0.000 0.968 1050 T HN 0.490 nan 8.240 nan 0.000 0.526 1051 Q N 1.824 121.635 119.800 0.019 0.000 2.311 1051 Q HA 0.493 4.832 4.340 -0.001 0.000 0.272 1051 Q C -0.656 175.374 176.000 0.050 0.000 1.012 1051 Q CA -0.370 55.395 55.803 -0.063 0.000 0.891 1051 Q CB 0.007 28.589 28.738 -0.261 0.000 1.201 1051 Q HN 0.635 nan 8.270 nan 0.000 0.391 1052 F N 1.842 121.745 119.950 -0.078 0.000 2.662 1052 F HA 0.786 5.312 4.527 -0.002 0.000 0.312 1052 F C -1.519 174.248 175.800 -0.056 0.000 1.113 1052 F CA -1.310 56.632 58.000 -0.098 0.000 0.951 1052 F CB 1.297 40.215 39.000 -0.137 0.000 1.344 1052 F HN 0.259 nan 8.300 nan 0.000 0.462 1053 I N 1.660 122.257 120.570 0.045 0.000 2.610 1053 I HA 0.188 4.358 4.170 -0.001 0.000 0.289 1053 I C -1.773 174.298 176.117 -0.077 0.000 1.163 1053 I CA -0.968 60.328 61.300 -0.007 0.000 1.044 1053 I CB 1.783 39.824 38.000 0.068 0.000 1.251 1053 I HN 0.821 nan 8.210 nan 0.000 0.424 1054 W N 6.749 128.023 121.300 -0.043 0.000 2.417 1054 W HA 0.693 5.351 4.660 -0.003 0.000 0.317 1054 W C 0.204 176.619 176.519 -0.174 0.000 1.121 1054 W CA -0.380 56.883 57.345 -0.137 0.000 1.208 1054 W CB 1.626 30.886 29.460 -0.333 0.000 1.253 1054 W HN 0.337 nan 8.180 nan 0.000 0.533 1055 M N 3.400 123.009 119.600 0.015 0.000 2.619 1055 M HA 0.506 4.986 4.480 -0.001 0.000 0.297 1055 M C -1.179 175.072 176.300 -0.083 0.000 1.229 1055 M CA -0.710 54.552 55.300 -0.063 0.000 0.860 1055 M CB 2.206 34.520 32.600 -0.477 0.000 1.741 1055 M HN 0.380 nan 8.290 nan 0.000 0.462 1056 K N 1.858 122.430 120.400 0.288 0.000 2.562 1056 K HA 0.307 4.626 4.320 -0.001 0.000 0.267 1056 K C -1.589 175.312 176.600 0.502 0.000 0.938 1056 K CA -0.543 55.850 56.287 0.176 0.000 0.840 1056 K CB 1.332 33.643 32.500 -0.315 0.000 1.390 1056 K HN 0.824 nan 8.250 nan 0.000 0.428 1057 Y N 1.457 122.021 120.300 0.440 0.000 3.027 1057 Y HA -0.287 4.262 4.550 -0.002 0.000 0.195 1057 Y C -0.663 175.591 175.900 0.591 0.000 1.381 1057 Y CA -0.149 58.225 58.100 0.457 0.000 1.015 1057 Y CB -1.020 37.686 38.460 0.409 0.000 1.329 1057 Y HN 0.453 nan 8.280 nan 0.000 0.462 1058 F N 1.760 122.103 119.950 0.654 0.000 2.467 1058 F HA 0.456 4.981 4.527 -0.003 0.000 0.362 1058 F C 0.317 176.393 175.800 0.461 0.000 1.090 1058 F CA 0.059 58.434 58.000 0.625 0.000 1.202 1058 F CB 0.713 40.102 39.000 0.649 0.000 1.113 1058 F HN 0.009 nan 8.300 nan 0.000 0.541 1059 S N 6.353 121.896 115.700 -0.262 0.000 2.546 1059 S HA 0.667 5.136 4.470 -0.001 0.000 0.274 1059 S C -0.919 173.492 174.600 -0.314 0.000 1.121 1059 S CA -0.719 57.370 58.200 -0.185 0.000 0.887 1059 S CB 1.698 64.879 63.200 -0.032 0.000 1.094 1059 S HN 0.491 nan 8.310 nan 0.000 0.474 1060 I N 2.240 122.689 120.570 -0.203 0.000 2.509 1060 I HA 0.531 4.700 4.170 -0.001 0.000 0.293 1060 I C -1.486 174.538 176.117 -0.155 0.000 1.020 1060 I CA -0.582 60.669 61.300 -0.082 0.000 1.088 1060 I CB 1.504 39.549 38.000 0.076 0.000 1.267 1060 I HN 0.464 nan 8.210 nan 0.000 0.430 1061 F N 2.846 122.735 119.950 -0.102 0.000 2.508 1061 F HA 0.289 4.818 4.527 0.002 0.000 0.325 1061 F C 0.517 176.317 175.800 -0.000 0.000 1.090 1061 F CA -1.031 56.929 58.000 -0.067 0.000 0.945 1061 F CB 1.326 40.274 39.000 -0.086 0.000 1.156 1061 F HN 0.459 nan 8.300 nan 0.000 0.463 1062 N N 0.351 119.136 118.700 0.141 0.000 3.052 1062 N HA 0.280 5.019 4.740 -0.001 0.000 0.302 1062 N C -0.566 175.091 175.510 0.246 0.000 1.332 1062 N CA -0.088 53.053 53.050 0.153 0.000 1.129 1062 N CB 0.716 39.178 38.487 -0.042 0.000 1.436 1062 N HN 0.611 nan 8.380 nan 0.000 0.536 1063 T N -1.710 112.996 114.554 0.254 0.000 2.843 1063 T HA 0.091 4.440 4.350 -0.001 0.000 0.337 1063 T C -2.094 172.633 174.700 0.045 0.000 1.754 1063 T CA -0.895 61.294 62.100 0.148 0.000 1.052 1063 T CB 0.855 69.793 68.868 0.117 0.000 1.588 1063 T HN 0.370 nan 8.240 nan 0.000 0.493 1064 E N 3.241 123.431 120.200 -0.017 0.000 2.290 1064 E HA 0.416 4.765 4.350 -0.001 0.000 0.277 1064 E C -0.544 175.952 176.600 -0.173 0.000 1.035 1064 E CA -0.434 55.904 56.400 -0.104 0.000 0.873 1064 E CB 0.429 30.082 29.700 -0.078 0.000 1.029 1064 E HN 0.515 nan 8.360 nan 0.000 0.419 1065 L N 3.932 124.972 121.223 -0.305 0.000 2.350 1065 L HA 0.175 4.515 4.340 -0.001 0.000 0.275 1065 L C 0.726 177.403 176.870 -0.321 0.000 1.099 1065 L CA -0.587 54.024 54.840 -0.382 0.000 0.808 1065 L CB 1.321 43.022 42.059 -0.596 0.000 1.149 1065 L HN 0.643 nan 8.230 nan 0.000 0.442 1066 S N 1.373 116.923 115.700 -0.251 0.000 2.614 1066 S HA 0.025 4.494 4.470 -0.001 0.000 0.265 1066 S C 0.738 175.181 174.600 -0.262 0.000 1.303 1066 S CA -0.540 57.547 58.200 -0.188 0.000 1.000 1066 S CB 1.393 64.519 63.200 -0.123 0.000 0.935 1066 S HN 0.706 nan 8.310 nan 0.000 0.551 1067 Q N 0.927 120.625 119.800 -0.170 0.000 2.135 1067 Q HA -0.135 4.204 4.340 -0.001 0.000 0.204 1067 Q C 2.089 177.998 176.000 -0.152 0.000 0.981 1067 Q CA 2.213 57.919 55.803 -0.161 0.000 0.856 1067 Q CB -0.880 27.878 28.738 0.033 0.000 0.902 1067 Q HN 0.819 nan 8.270 nan 0.000 0.425 1068 S N 0.453 116.088 115.700 -0.108 0.000 2.383 1068 S HA -0.086 4.383 4.470 -0.001 0.000 0.227 1068 S C 1.639 176.177 174.600 -0.103 0.000 1.026 1068 S CA 1.108 59.259 58.200 -0.082 0.000 0.981 1068 S CB -0.089 63.075 63.200 -0.061 0.000 0.818 1068 S HN 0.456 nan 8.310 nan 0.000 0.472 1069 N N 1.467 120.076 118.700 -0.151 0.000 2.084 1069 N HA -0.027 4.712 4.740 -0.001 0.000 0.190 1069 N C 1.809 177.218 175.510 -0.168 0.000 1.030 1069 N CA 1.550 54.500 53.050 -0.166 0.000 0.849 1069 N CB -0.539 37.805 38.487 -0.239 0.000 1.012 1069 N HN 0.463 nan 8.380 nan 0.000 0.423 1070 I N 1.423 121.843 120.570 -0.251 0.000 2.127 1070 I HA -0.271 3.898 4.170 -0.001 0.000 0.241 1070 I C 2.495 178.613 176.117 0.002 0.000 1.075 1070 I CA 1.306 62.482 61.300 -0.206 0.000 1.334 1070 I CB -0.369 37.310 38.000 -0.535 0.000 1.040 1070 I HN 0.220 nan 8.210 nan 0.000 0.405 1071 E N 1.138 121.320 120.200 -0.030 0.000 2.153 1071 E HA -0.282 4.067 4.350 -0.001 0.000 0.194 1071 E C 2.101 178.759 176.600 0.097 0.000 0.988 1071 E CA 1.400 57.841 56.400 0.068 0.000 0.811 1071 E CB -0.021 29.696 29.700 0.028 0.000 0.746 1071 E HN 0.475 nan 8.360 nan 0.000 0.466 1072 E N 0.086 120.298 120.200 0.020 0.000 2.112 1072 E HA -0.155 4.194 4.350 -0.001 0.000 0.190 1072 E C 2.209 178.803 176.600 -0.011 0.000 0.979 1072 E CA 0.443 56.843 56.400 -0.001 0.000 0.814 1072 E CB 0.045 29.727 29.700 -0.029 0.000 0.762 1072 E HN 0.135 nan 8.360 nan 0.000 0.460 1073 R N -0.420 120.078 120.500 -0.004 0.000 2.092 1073 R HA -0.194 4.145 4.340 -0.001 0.000 0.231 1073 R C 2.288 178.492 176.300 -0.161 0.000 1.119 1073 R CA 1.372 57.456 56.100 -0.027 0.000 0.970 1073 R CB -0.343 29.997 30.300 0.066 0.000 0.864 1073 R HN 0.212 nan 8.270 nan 0.000 0.440 1074 Y N 1.540 121.653 120.300 -0.311 0.000 2.097 1074 Y HA -0.246 4.303 4.550 -0.001 0.000 0.282 1074 Y C 1.735 177.586 175.900 -0.082 0.000 1.152 1074 Y CA 1.907 59.757 58.100 -0.416 0.000 1.136 1074 Y CB -0.175 38.217 38.460 -0.114 0.000 0.975 1074 Y HN -0.048 nan 8.280 nan 0.000 0.498 1075 K N -0.030 120.281 120.400 -0.149 0.000 2.063 1075 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 1075 K C 2.155 178.674 176.600 -0.135 0.000 1.048 1075 K CA 1.970 58.143 56.287 -0.190 0.000 0.928 1075 K CB -0.342 32.118 32.500 -0.066 0.000 0.713 1075 K HN 0.395 nan 8.250 nan 0.000 0.442 1076 I N 1.279 121.792 120.570 -0.096 0.000 2.179 1076 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 1076 I C 2.097 178.177 176.117 -0.062 0.000 1.088 1076 I CA 1.401 62.657 61.300 -0.074 0.000 1.357 1076 I CB -0.257 37.700 38.000 -0.071 0.000 1.051 1076 I HN 0.222 nan 8.210 nan 0.000 0.409 1077 Q N 0.025 119.785 119.800 -0.066 0.000 2.472 1077 Q HA -0.032 4.307 4.340 -0.001 0.000 0.208 1077 Q C 1.993 177.836 176.000 -0.262 0.000 0.958 1077 Q CA 0.758 56.533 55.803 -0.047 0.000 0.932 1077 Q CB 0.133 28.986 28.738 0.192 0.000 1.007 1077 Q HN 0.424 nan 8.270 nan 0.000 0.508 1078 S N -0.324 115.234 115.700 -0.237 0.000 2.492 1078 S HA -0.006 4.463 4.470 -0.001 0.000 0.218 1078 S C 0.196 174.649 174.600 -0.245 0.000 1.016 1078 S CA -0.341 57.669 58.200 -0.317 0.000 0.916 1078 S CB 0.009 62.997 63.200 -0.353 0.000 0.791 1078 S HN 0.393 nan 8.310 nan 0.000 0.513 1079 Y N 4.007 124.151 120.300 -0.260 0.000 2.497 1079 Y HA 0.368 4.917 4.550 -0.003 0.000 0.334 1079 Y C 0.282 175.993 175.900 -0.316 0.000 1.199 1079 Y CA -0.028 57.923 58.100 -0.248 0.000 1.425 1079 Y CB 0.376 38.715 38.460 -0.203 0.000 1.291 1079 Y HN 0.170 nan 8.280 nan 0.000 0.562 1080 S N 2.824 117.574 115.700 -1.584 0.000 2.587 1080 S HA 0.312 4.782 4.470 -0.001 0.000 0.269 1080 S C -0.379 173.365 174.600 -1.427 0.000 1.154 1080 S CA -0.833 56.484 58.200 -1.471 0.000 0.824 1080 S CB 1.505 63.784 63.200 -1.535 0.000 1.118 1080 S HN 0.766 nan 8.310 nan 0.000 0.462 1081 E N -0.388 119.224 120.200 -0.982 0.000 2.385 1081 E HA 0.114 4.463 4.350 -0.001 0.000 0.194 1081 E C -0.202 176.178 176.600 -0.366 0.000 1.013 1081 E CA 0.417 56.512 56.400 -0.509 0.000 0.866 1081 E CB 0.033 29.585 29.700 -0.247 0.000 0.832 1081 E HN 0.694 nan 8.360 nan 0.000 0.500 1082 Y N -0.315 119.830 120.300 -0.258 0.000 2.374 1082 Y HA 0.535 5.083 4.550 -0.002 0.000 0.322 1082 Y C 0.047 175.814 175.900 -0.222 0.000 1.275 1082 Y CA -1.458 56.512 58.100 -0.216 0.000 1.307 1082 Y CB 0.128 38.471 38.460 -0.194 0.000 1.282 1082 Y HN -0.299 nan 8.280 nan 0.000 0.509 1083 L N 1.483 122.766 121.223 0.099 0.000 2.448 1083 L HA 0.547 4.886 4.340 -0.001 0.000 0.258 1083 L C -0.091 176.836 176.870 0.094 0.000 1.104 1083 L CA -0.891 53.975 54.840 0.044 0.000 0.800 1083 L CB 0.999 43.049 42.059 -0.015 0.000 1.241 1083 L HN 0.681 nan 8.230 nan 0.000 0.472 1084 K N -0.647 119.786 120.400 0.055 0.000 2.395 1084 K HA 0.445 4.765 4.320 -0.001 0.000 0.245 1084 K C -1.503 175.070 176.600 -0.046 0.000 1.017 1084 K CA -0.937 55.334 56.287 -0.027 0.000 0.852 1084 K CB 1.547 34.006 32.500 -0.068 0.000 1.311 1084 K HN 0.605 nan 8.250 nan 0.000 0.452 1085 D N -0.684 119.646 120.400 -0.117 0.000 2.437 1085 D HA 0.068 4.707 4.640 -0.001 0.000 0.259 1085 D C 0.680 176.886 176.300 -0.156 0.000 1.118 1085 D CA -0.679 53.261 54.000 -0.099 0.000 1.017 1085 D CB 0.249 41.009 40.800 -0.067 0.000 1.120 1085 D HN 0.420 nan 8.370 nan 0.000 0.541 1086 F N -0.399 119.331 119.950 -0.366 0.000 2.141 1086 F HA -0.175 4.352 4.527 -0.001 0.000 0.300 1086 F C 1.338 176.841 175.800 -0.494 0.000 1.079 1086 F CA 1.535 59.208 58.000 -0.545 0.000 1.264 1086 F CB -0.116 38.306 39.000 -0.963 0.000 1.011 1086 F HN 0.442 nan 8.300 nan 0.000 0.487 1087 W N -0.799 120.498 121.300 -0.006 0.000 2.584 1087 W HA 0.245 4.904 4.660 -0.002 0.000 0.264 1087 W C 1.987 178.368 176.519 -0.231 0.000 1.264 1087 W CA 0.582 57.889 57.345 -0.062 0.000 1.306 1087 W CB -0.274 29.208 29.460 0.037 0.000 1.110 1087 W HN 0.198 nan 8.180 nan 0.000 0.606 1088 G N -0.665 107.870 108.800 -0.441 0.000 2.192 1088 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.193 1088 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.193 1088 G C 0.221 174.952 174.900 -0.283 0.000 0.999 1088 G CA -0.433 44.131 45.100 -0.893 0.000 0.659 1088 G HN 0.080 nan 8.290 nan 0.000 0.503 1089 N N 1.452 120.125 118.700 -0.045 0.000 2.347 1089 N HA 0.451 5.190 4.740 -0.001 0.000 0.253 1089 N C -2.663 172.722 175.510 -0.209 0.000 1.274 1089 N CA -1.149 51.853 53.050 -0.081 0.000 0.941 1089 N CB 0.316 38.809 38.487 0.011 0.000 1.200 1089 N HN 0.068 nan 8.380 nan 0.000 0.514 1090 P HA 0.063 nan 4.420 nan 0.000 0.271 1090 P C -0.184 176.931 177.300 -0.308 0.000 1.220 1090 P CA -0.389 62.344 63.100 -0.612 0.000 0.768 1090 P CB 0.468 31.586 31.700 -0.970 0.000 0.848 1091 L N 4.785 125.863 121.223 -0.242 0.000 2.416 1091 L HA 0.235 4.574 4.340 -0.001 0.000 0.272 1091 L C -0.249 176.520 176.870 -0.168 0.000 1.161 1091 L CA 1.006 55.753 54.840 -0.155 0.000 0.845 1091 L CB -0.324 41.617 42.059 -0.196 0.000 1.119 1091 L HN 0.293 nan 8.230 nan 0.000 0.464 1092 M N 4.606 124.204 119.600 -0.004 0.000 2.602 1092 M HA 0.322 4.801 4.480 -0.001 0.000 0.312 1092 M C -0.740 175.521 176.300 -0.066 0.000 1.181 1092 M CA -0.419 54.840 55.300 -0.069 0.000 0.910 1092 M CB 1.531 34.121 32.600 -0.017 0.000 1.723 1092 M HN 0.423 nan 8.290 nan 0.000 0.459 1093 Y N 1.187 121.475 120.300 -0.019 0.000 2.316 1093 Y HA 0.171 4.720 4.550 -0.002 0.000 0.324 1093 Y C 0.869 176.746 175.900 -0.037 0.000 1.267 1093 Y CA -0.094 57.988 58.100 -0.029 0.000 1.311 1093 Y CB 0.680 39.119 38.460 -0.034 0.000 1.267 1093 Y HN 0.760 nan 8.280 nan 0.000 0.516 1094 N N 0.945 119.744 118.700 0.165 0.000 2.721 1094 N HA -0.251 4.489 4.740 -0.001 0.000 0.249 1094 N C -0.830 174.677 175.510 -0.004 0.000 1.072 1094 N CA 0.898 53.992 53.050 0.073 0.000 0.710 1094 N CB -0.992 37.532 38.487 0.062 0.000 0.993 1094 N HN 0.565 nan 8.380 nan 0.000 0.547 1095 K N 0.896 121.238 120.400 -0.097 0.000 2.378 1095 K HA 0.236 4.555 4.320 -0.001 0.000 0.252 1095 K C -0.456 175.875 176.600 -0.448 0.000 0.931 1095 K CA -0.572 55.527 56.287 -0.314 0.000 0.794 1095 K CB 1.562 33.760 32.500 -0.502 0.000 1.181 1095 K HN 0.022 nan 8.250 nan 0.000 0.425 1096 E N 3.428 123.444 120.200 -0.307 0.000 2.376 1096 E HA 0.051 4.400 4.350 -0.001 0.000 0.266 1096 E C -1.005 175.451 176.600 -0.240 0.000 1.009 1096 E CA 0.313 56.615 56.400 -0.163 0.000 0.902 1096 E CB 0.511 30.164 29.700 -0.078 0.000 0.972 1096 E HN 0.423 nan 8.360 nan 0.000 0.439 1097 Y N 1.208 121.586 120.300 0.129 0.000 2.470 1097 Y HA 0.240 4.789 4.550 -0.002 0.000 0.341 1097 Y C -0.788 175.237 175.900 0.207 0.000 1.021 1097 Y CA -1.232 57.000 58.100 0.219 0.000 1.025 1097 Y CB 1.443 40.091 38.460 0.314 0.000 1.266 1097 Y HN 0.443 nan 8.280 nan 0.000 0.448 1098 Y N 2.770 123.358 120.300 0.480 0.000 2.320 1098 Y HA 0.469 5.018 4.550 -0.001 0.000 0.324 1098 Y C 0.252 176.287 175.900 0.225 0.000 1.190 1098 Y CA -0.648 57.672 58.100 0.367 0.000 1.215 1098 Y CB 1.053 39.658 38.460 0.243 0.000 1.221 1098 Y HN 0.372 nan 8.280 nan 0.000 0.486 1099 M N 3.311 123.055 119.600 0.241 0.000 2.409 1099 M HA 0.366 4.845 4.480 -0.001 0.000 0.329 1099 M C -1.174 175.220 176.300 0.157 0.000 1.180 1099 M CA -0.505 54.802 55.300 0.011 0.000 1.053 1099 M CB 1.326 33.699 32.600 -0.378 0.000 1.586 1099 M HN 0.633 nan 8.290 nan 0.000 0.461 1100 F N 1.778 121.709 119.950 -0.032 0.000 2.576 1100 F HA 0.520 5.046 4.527 -0.001 0.000 0.313 1100 F C -1.168 174.595 175.800 -0.063 0.000 1.078 1100 F CA -0.778 57.188 58.000 -0.056 0.000 0.921 1100 F CB 1.487 40.403 39.000 -0.140 0.000 1.232 1100 F HN 0.498 nan 8.300 nan 0.000 0.459 1101 N N 3.438 121.453 118.700 -1.141 0.000 2.399 1101 N HA 0.394 5.134 4.740 -0.001 0.000 0.280 1101 N C 0.174 174.918 175.510 -1.276 0.000 1.008 1101 N CA 0.236 52.582 53.050 -1.173 0.000 0.894 1101 N CB 2.155 39.972 38.487 -1.116 0.000 1.273 1101 N HN 0.893 nan 8.380 nan 0.000 0.486 1102 A N 2.864 125.204 122.820 -0.801 0.000 2.070 1102 A HA -0.013 4.306 4.320 -0.001 0.000 0.220 1102 A C 1.718 179.095 177.584 -0.346 0.000 1.159 1102 A CA 1.935 53.726 52.037 -0.410 0.000 0.656 1102 A CB -0.502 18.413 19.000 -0.142 0.000 0.800 1102 A HN 0.717 nan 8.150 nan 0.000 0.453 1103 G N -0.130 108.422 108.800 -0.414 0.000 2.417 1103 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.212 1103 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.212 1103 G C 0.491 175.231 174.900 -0.266 0.000 1.187 1103 G CA 0.443 45.379 45.100 -0.273 0.000 0.804 1103 G HN 0.601 nan 8.290 nan 0.000 0.534 1104 N N 0.689 119.164 118.700 -0.375 0.000 3.194 1104 N HA 0.303 5.042 4.740 -0.001 0.000 0.271 1104 N C 0.921 176.230 175.510 -0.335 0.000 1.308 1104 N CA -0.246 52.626 53.050 -0.297 0.000 1.042 1104 N CB 1.371 39.693 38.487 -0.276 0.000 1.310 1104 N HN 0.206 nan 8.380 nan 0.000 0.502 1105 K N 0.457 120.703 120.400 -0.257 0.000 2.052 1105 K HA -0.213 4.106 4.320 -0.001 0.000 0.215 1105 K C 0.487 177.099 176.600 0.021 0.000 1.053 1105 K CA 1.563 57.784 56.287 -0.111 0.000 0.934 1105 K CB -0.072 32.482 32.500 0.089 0.000 0.717 1105 K HN 0.356 nan 8.250 nan 0.000 0.450 1106 N N 0.029 118.738 118.700 0.016 0.000 2.398 1106 N HA 0.015 4.755 4.740 -0.001 0.000 0.188 1106 N C -0.544 175.002 175.510 0.060 0.000 1.122 1106 N CA 0.182 53.272 53.050 0.066 0.000 0.866 1106 N CB 0.600 39.121 38.487 0.057 0.000 0.970 1106 N HN -0.013 nan 8.380 nan 0.000 0.462 1107 S N 0.334 116.018 115.700 -0.026 0.000 2.578 1107 S HA 0.520 4.989 4.470 -0.001 0.000 0.283 1107 S C -0.510 174.104 174.600 0.023 0.000 1.195 1107 S CA -0.719 57.437 58.200 -0.073 0.000 1.050 1107 S CB 0.746 63.847 63.200 -0.165 0.000 1.012 1107 S HN 0.404 nan 8.310 nan 0.000 0.511 1108 Y N -0.684 119.577 120.300 -0.065 0.000 2.715 1108 Y HA 0.783 5.333 4.550 -0.001 0.000 0.331 1108 Y C -1.481 174.390 175.900 -0.048 0.000 1.197 1108 Y CA -1.611 56.475 58.100 -0.024 0.000 1.079 1108 Y CB 0.687 39.168 38.460 0.035 0.000 1.298 1108 Y HN 0.448 nan 8.280 nan 0.000 0.477 1109 I N 1.808 122.510 120.570 0.219 0.000 2.362 1109 I HA 0.687 4.856 4.170 -0.001 0.000 0.289 1109 I C -0.435 175.795 176.117 0.187 0.000 0.994 1109 I CA -0.783 60.543 61.300 0.044 0.000 1.158 1109 I CB 1.195 39.155 38.000 -0.066 0.000 1.315 1109 I HN 0.844 nan 8.210 nan 0.000 0.451 1110 K N 5.762 126.176 120.400 0.023 0.000 2.324 1110 K HA 0.632 4.951 4.320 -0.001 0.000 0.253 1110 K C -1.064 175.530 176.600 -0.010 0.000 0.932 1110 K CA -0.795 55.534 56.287 0.070 0.000 0.799 1110 K CB 1.983 34.530 32.500 0.078 0.000 1.154 1110 K HN 0.542 nan 8.250 nan 0.000 0.425 1111 L N 2.265 123.481 121.223 -0.012 0.000 2.407 1111 L HA 0.460 4.799 4.340 -0.001 0.000 0.282 1111 L C 0.868 177.748 176.870 0.017 0.000 1.110 1111 L CA -0.013 54.819 54.840 -0.014 0.000 0.863 1111 L CB -0.316 41.736 42.059 -0.012 0.000 1.207 1111 L HN 0.908 nan 8.230 nan 0.000 0.454 1112 K N 3.692 124.112 120.400 0.033 0.000 2.511 1112 K HA 0.208 4.527 4.320 -0.001 0.000 0.277 1112 K C 1.336 177.968 176.600 0.053 0.000 1.025 1112 K CA 0.864 57.177 56.287 0.044 0.000 1.112 1112 K CB -0.918 31.634 32.500 0.087 0.000 0.859 1112 K HN 0.909 nan 8.250 nan 0.000 0.485 1113 K N 1.430 121.856 120.400 0.043 0.000 2.173 1113 K HA -0.208 4.112 4.320 -0.001 0.000 0.207 1113 K C 1.714 178.351 176.600 0.061 0.000 1.046 1113 K CA 2.248 58.562 56.287 0.045 0.000 0.929 1113 K CB -0.519 32.005 32.500 0.040 0.000 0.720 1113 K HN 0.914 nan 8.250 nan 0.000 0.453 1114 D N -0.081 120.363 120.400 0.073 0.000 2.267 1114 D HA -0.015 4.625 4.640 -0.001 0.000 0.258 1114 D C 1.235 177.599 176.300 0.106 0.000 1.207 1114 D CA 1.313 55.363 54.000 0.083 0.000 0.954 1114 D CB -0.268 40.580 40.800 0.080 0.000 0.975 1114 D HN 0.489 nan 8.370 nan 0.000 0.371 1115 S N 0.432 116.201 115.700 0.115 0.000 2.625 1115 S HA 0.312 4.781 4.470 -0.001 0.000 0.258 1115 S C -2.195 172.504 174.600 0.165 0.000 1.256 1115 S CA -0.825 57.452 58.200 0.129 0.000 0.983 1115 S CB 0.493 63.758 63.200 0.108 0.000 1.032 1115 S HN 0.260 nan 8.310 nan 0.000 0.572 1116 P HA 0.413 nan 4.420 nan 0.000 0.213 1116 P C -0.795 176.606 177.300 0.169 0.000 1.861 1116 P CA -0.349 62.878 63.100 0.212 0.000 1.076 1116 P CB -0.117 31.697 31.700 0.190 0.000 1.867 1117 V N -1.030 119.005 119.914 0.201 0.000 3.232 1117 V HA 0.939 5.058 4.120 -0.001 0.000 0.303 1117 V C -0.578 175.677 176.094 0.268 0.000 1.311 1117 V CA -1.122 61.327 62.300 0.247 0.000 1.061 1117 V CB 1.696 33.702 31.823 0.304 0.000 1.085 1117 V HN 0.263 nan 8.190 nan 0.000 0.447 1118 G N 0.639 109.654 108.800 0.357 0.000 2.370 1118 G HA2 0.636 4.595 3.960 -0.001 0.000 0.317 1118 G HA3 0.636 4.595 3.960 -0.001 0.000 0.317 1118 G C -0.509 174.399 174.900 0.013 0.000 1.162 1118 G CA -0.448 44.790 45.100 0.231 0.000 0.922 1118 G HN 0.876 nan 8.290 nan 0.000 0.454 1119 E N 0.724 120.828 120.200 -0.160 0.000 2.405 1119 E HA 0.277 4.627 4.350 -0.001 0.000 0.253 1119 E C -0.137 176.223 176.600 -0.399 0.000 1.257 1119 E CA -0.411 55.733 56.400 -0.427 0.000 0.960 1119 E CB 1.163 30.663 29.700 -0.334 0.000 1.077 1119 E HN 0.195 nan 8.360 nan 0.000 0.512 1120 I N 2.600 122.889 120.570 -0.467 0.000 2.782 1120 I HA 0.182 4.352 4.170 -0.001 0.000 0.279 1120 I C -0.129 175.718 176.117 -0.450 0.000 1.247 1120 I CA -0.026 61.024 61.300 -0.416 0.000 1.062 1120 I CB -0.323 37.473 38.000 -0.340 0.000 1.421 1120 I HN 0.363 nan 8.210 nan 0.000 0.558 1121 L N 2.355 123.204 121.223 -0.624 0.000 2.464 1121 L HA 0.342 4.682 4.340 -0.001 0.000 0.224 1121 L C 0.866 177.403 176.870 -0.555 0.000 1.219 1121 L CA 0.039 54.523 54.840 -0.593 0.000 0.831 1121 L CB 0.189 41.842 42.059 -0.676 0.000 1.284 1121 L HN 0.290 nan 8.230 nan 0.000 0.522 1122 T N 0.072 114.480 114.554 -0.242 0.000 2.824 1122 T HA 0.334 4.683 4.350 -0.001 0.000 0.280 1122 T C -0.139 174.762 174.700 0.335 0.000 0.995 1122 T CA -0.656 61.444 62.100 0.001 0.000 1.009 1122 T CB 0.988 69.861 68.868 0.009 0.000 0.955 1122 T HN 0.351 nan 8.240 nan 0.000 0.452 1123 R N 2.156 122.892 120.500 0.392 0.000 2.538 1123 R HA 0.186 4.526 4.340 -0.001 0.000 0.282 1123 R C 1.066 177.474 176.300 0.180 0.000 1.009 1123 R CA -0.169 56.123 56.100 0.320 0.000 1.063 1123 R CB 0.257 30.667 30.300 0.183 0.000 0.945 1123 R HN 0.734 nan 8.270 nan 0.000 0.414 1124 S N 2.800 118.568 115.700 0.113 0.000 2.632 1124 S HA 0.195 4.664 4.470 -0.001 0.000 0.254 1124 S C 0.199 174.838 174.600 0.065 0.000 1.291 1124 S CA -0.355 57.891 58.200 0.077 0.000 0.974 1124 S CB 0.531 63.759 63.200 0.047 0.000 1.016 1124 S HN 0.718 nan 8.310 nan 0.000 0.579 1125 K N -1.733 118.687 120.400 0.032 0.000 2.556 1125 K HA 0.312 4.631 4.320 -0.001 0.000 0.289 1125 K C -1.573 174.976 176.600 -0.085 0.000 1.040 1125 K CA -1.013 55.271 56.287 -0.005 0.000 0.894 1125 K CB 0.178 32.683 32.500 0.008 0.000 1.547 1125 K HN 0.404 nan 8.250 nan 0.000 0.417 1126 Y N 2.464 122.508 120.300 -0.427 0.000 2.857 1126 Y HA -0.073 4.476 4.550 -0.001 0.000 0.381 1126 Y C 0.448 176.231 175.900 -0.195 0.000 1.369 1126 Y CA 0.336 58.144 58.100 -0.487 0.000 1.801 1126 Y CB -0.681 37.413 38.460 -0.611 0.000 1.271 1126 Y HN 0.677 nan 8.280 nan 0.000 0.493 1127 N N 2.811 121.281 118.700 -0.383 0.000 2.270 1127 N HA -0.111 4.628 4.740 -0.001 0.000 0.181 1127 N C 0.458 175.663 175.510 -0.509 0.000 1.016 1127 N CA 0.823 53.675 53.050 -0.330 0.000 0.870 1127 N CB 0.069 38.453 38.487 -0.172 0.000 0.979 1127 N HN 0.715 nan 8.380 nan 0.000 0.431 1128 Q N 0.299 119.576 119.800 -0.873 0.000 2.722 1128 Q HA 0.046 4.385 4.340 -0.001 0.000 0.214 1128 Q C 0.020 175.628 176.000 -0.653 0.000 1.109 1128 Q CA 0.247 55.611 55.803 -0.732 0.000 1.066 1128 Q CB 0.192 28.585 28.738 -0.575 0.000 1.290 1128 Q HN 0.379 nan 8.270 nan 0.000 0.620 1129 N N -0.341 118.219 118.700 -0.232 0.000 2.699 1129 N HA 0.076 4.815 4.740 -0.001 0.000 0.317 1129 N C -1.316 174.272 175.510 0.130 0.000 1.661 1129 N CA -0.141 52.884 53.050 -0.042 0.000 0.979 1129 N CB 1.022 39.490 38.487 -0.031 0.000 1.329 1129 N HN 0.187 nan 8.380 nan 0.000 0.497 1130 S N 0.724 116.629 115.700 0.342 0.000 2.451 1130 S HA 0.233 4.702 4.470 -0.001 0.000 0.301 1130 S C 1.024 175.798 174.600 0.288 0.000 1.116 1130 S CA -0.772 57.615 58.200 0.313 0.000 1.093 1130 S CB 0.978 64.340 63.200 0.270 0.000 1.017 1130 S HN 0.484 nan 8.310 nan 0.000 0.482 1131 K N 3.167 123.706 120.400 0.231 0.000 2.487 1131 K HA 0.038 4.358 4.320 -0.001 0.000 0.192 1131 K C -0.007 176.518 176.600 -0.125 0.000 1.027 1131 K CA 0.713 57.011 56.287 0.018 0.000 1.054 1131 K CB -0.169 32.264 32.500 -0.112 0.000 0.824 1131 K HN 0.641 nan 8.250 nan 0.000 0.510 1132 Y N 2.076 122.351 120.300 -0.041 0.000 2.482 1132 Y HA 0.306 4.855 4.550 -0.001 0.000 0.270 1132 Y C 0.964 176.759 175.900 -0.175 0.000 1.152 1132 Y CA -0.808 57.241 58.100 -0.086 0.000 1.292 1132 Y CB 0.079 38.489 38.460 -0.085 0.000 1.070 1132 Y HN 0.107 nan 8.280 nan 0.000 0.528 1133 I N -2.277 118.229 120.570 -0.107 0.000 2.865 1133 I HA 0.553 4.722 4.170 -0.001 0.000 0.302 1133 I C -0.954 174.987 176.117 -0.294 0.000 1.140 1133 I CA -1.111 60.000 61.300 -0.316 0.000 1.021 1133 I CB 2.731 40.294 38.000 -0.729 0.000 1.233 1133 I HN -0.083 nan 8.210 nan 0.000 0.427 1134 N N 2.971 121.601 118.700 -0.117 0.000 2.815 1134 N HA 0.496 5.235 4.740 -0.001 0.000 0.253 1134 N C -2.151 173.473 175.510 0.190 0.000 1.202 1134 N CA -0.238 52.782 53.050 -0.050 0.000 0.925 1134 N CB 2.862 41.378 38.487 0.048 0.000 1.622 1134 N HN 0.865 nan 8.380 nan 0.000 0.497 1135 Y N -0.846 119.562 120.300 0.181 0.000 2.810 1135 Y HA 0.524 5.074 4.550 -0.001 0.000 0.355 1135 Y C -1.875 174.161 175.900 0.227 0.000 1.211 1135 Y CA -1.143 57.102 58.100 0.242 0.000 1.112 1135 Y CB 0.467 39.139 38.460 0.354 0.000 1.383 1135 Y HN 0.265 nan 8.280 nan 0.000 0.458 1136 R N 1.918 122.693 120.500 0.458 0.000 2.338 1136 R HA 0.280 4.619 4.340 -0.001 0.000 0.317 1136 R C -1.182 175.328 176.300 0.349 0.000 0.968 1136 R CA -0.784 55.489 56.100 0.289 0.000 0.849 1136 R CB 1.010 31.418 30.300 0.180 0.000 1.128 1136 R HN 0.775 nan 8.270 nan 0.000 0.448 1137 D N 3.036 123.606 120.400 0.282 0.000 2.571 1137 D HA -0.091 4.548 4.640 -0.001 0.000 0.231 1137 D C 1.216 177.462 176.300 -0.090 0.000 1.133 1137 D CA 0.566 54.677 54.000 0.185 0.000 0.862 1137 D CB 1.142 41.995 40.800 0.088 0.000 1.179 1137 D HN 0.408 nan 8.370 nan 0.000 0.474 1138 L N 1.286 122.309 121.223 -0.333 0.000 2.537 1138 L HA 0.006 4.346 4.340 -0.001 0.000 0.224 1138 L C 0.702 177.198 176.870 -0.622 0.000 1.065 1138 L CA 0.139 54.611 54.840 -0.614 0.000 0.860 1138 L CB 0.046 41.456 42.059 -1.081 0.000 1.086 1138 L HN 0.332 nan 8.230 nan 0.000 0.482 1139 Y N 2.969 122.971 120.300 -0.496 0.000 2.994 1139 Y HA 0.355 4.904 4.550 -0.001 0.000 0.393 1139 Y C 0.484 175.792 175.900 -0.987 0.000 1.118 1139 Y CA -1.152 56.280 58.100 -1.113 0.000 1.906 1139 Y CB -0.976 37.130 38.460 -0.591 0.000 1.925 1139 Y HN 0.069 nan 8.280 nan 0.000 0.446 1140 I N -2.703 117.532 120.570 -0.558 0.000 3.108 1140 I HA 1.013 5.183 4.170 -0.001 0.000 0.312 1140 I C 0.638 176.726 176.117 -0.048 0.000 1.095 1140 I CA -1.160 59.947 61.300 -0.322 0.000 1.000 1140 I CB 1.987 39.615 38.000 -0.621 0.000 1.229 1140 I HN 0.318 nan 8.210 nan 0.000 0.454 1141 G N 1.898 110.672 108.800 -0.044 0.000 2.728 1141 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.294 1141 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.294 1141 G C -0.634 174.512 174.900 0.410 0.000 1.342 1141 G CA -0.612 44.709 45.100 0.368 0.000 0.866 1141 G HN 0.869 nan 8.290 nan 0.000 0.534 1142 E N 0.257 120.670 120.200 0.355 0.000 2.418 1142 E HA 0.219 4.569 4.350 -0.001 0.000 0.261 1142 E C 0.629 177.276 176.600 0.078 0.000 1.070 1142 E CA -0.022 56.447 56.400 0.116 0.000 0.931 1142 E CB 0.721 30.215 29.700 -0.343 0.000 0.954 1142 E HN 0.541 nan 8.360 nan 0.000 0.439 1143 K N 2.921 123.289 120.400 -0.053 0.000 2.244 1143 K HA 0.170 4.490 4.320 -0.001 0.000 0.263 1143 K C -0.794 175.836 176.600 0.050 0.000 1.103 1143 K CA -0.258 55.956 56.287 -0.121 0.000 0.966 1143 K CB -0.122 32.350 32.500 -0.047 0.000 1.429 1143 K HN 0.169 nan 8.250 nan 0.000 0.434 1144 F N 3.111 123.146 119.950 0.142 0.000 2.380 1144 F HA 0.377 4.904 4.527 -0.001 0.000 0.325 1144 F C 0.547 176.461 175.800 0.191 0.000 1.136 1144 F CA -0.624 57.516 58.000 0.234 0.000 1.171 1144 F CB 0.665 39.828 39.000 0.271 0.000 1.230 1144 F HN 0.296 nan 8.300 nan 0.000 0.554 1145 I N 2.841 123.596 120.570 0.309 0.000 2.586 1145 I HA 0.363 4.532 4.170 -0.001 0.000 0.288 1145 I C -1.156 175.059 176.117 0.164 0.000 1.147 1145 I CA -0.497 60.913 61.300 0.183 0.000 1.047 1145 I CB 1.066 39.128 38.000 0.103 0.000 1.244 1145 I HN 0.387 nan 8.210 nan 0.000 0.429 1146 I N 7.167 127.824 120.570 0.146 0.000 2.496 1146 I HA 0.307 4.476 4.170 -0.001 0.000 0.285 1146 I C -0.001 176.254 176.117 0.231 0.000 1.080 1146 I CA -0.399 60.986 61.300 0.140 0.000 1.404 1146 I CB 0.366 38.374 38.000 0.013 0.000 1.403 1146 I HN 0.401 nan 8.210 nan 0.000 0.539 1147 R N 5.503 126.120 120.500 0.196 0.000 2.740 1147 R HA 0.499 4.838 4.340 -0.001 0.000 0.282 1147 R C -0.425 175.799 176.300 -0.126 0.000 0.969 1147 R CA -1.011 55.132 56.100 0.071 0.000 0.918 1147 R CB 1.796 32.164 30.300 0.113 0.000 1.175 1147 R HN 0.596 nan 8.270 nan 0.000 0.464 1148 R N 0.907 121.099 120.500 -0.513 0.000 2.531 1148 R HA 0.292 4.631 4.340 -0.001 0.000 0.273 1148 R C 0.910 176.920 176.300 -0.482 0.000 1.070 1148 R CA 0.415 56.078 56.100 -0.728 0.000 1.112 1148 R CB 0.869 30.584 30.300 -0.976 0.000 1.049 1148 R HN 0.725 nan 8.270 nan 0.000 0.508 1149 K N 1.560 121.709 120.400 -0.418 0.000 2.189 1149 K HA 0.113 4.433 4.320 -0.001 0.000 0.218 1149 K C 1.069 177.521 176.600 -0.248 0.000 1.031 1149 K CA 1.002 57.010 56.287 -0.466 0.000 0.962 1149 K CB -1.029 31.284 32.500 -0.311 0.000 1.005 1149 K HN 0.693 nan 8.250 nan 0.000 0.459 1159 I N 1.034 121.629 120.570 0.042 0.000 2.519 1159 I HA 0.296 4.465 4.170 -0.001 0.000 0.287 1159 I C -0.024 175.989 176.117 -0.173 0.000 1.047 1159 I CA -0.759 60.491 61.300 -0.084 0.000 1.381 1159 I CB 1.341 39.296 38.000 -0.075 0.000 1.417 1159 I HN 0.111 nan 8.210 nan 0.000 0.540 1160 V N 7.229 126.909 119.914 -0.389 0.000 2.353 1160 V HA 0.300 4.419 4.120 -0.001 0.000 0.264 1160 V C 0.429 176.389 176.094 -0.223 0.000 1.049 1160 V CA -0.500 61.455 62.300 -0.575 0.000 0.896 1160 V CB 0.087 31.481 31.823 -0.714 0.000 1.025 1160 V HN 0.689 nan 8.190 nan 0.000 0.475 1161 R N 3.062 123.489 120.500 -0.122 0.000 2.607 1161 R HA 0.550 4.890 4.340 -0.001 0.000 0.261 1161 R C -0.136 176.100 176.300 -0.107 0.000 1.051 1161 R CA -1.001 55.058 56.100 -0.068 0.000 1.110 1161 R CB 1.464 31.748 30.300 -0.027 0.000 1.158 1161 R HN 0.543 nan 8.270 nan 0.000 0.543 1162 K N 1.792 122.119 120.400 -0.121 0.000 2.219 1162 K HA -0.007 4.312 4.320 -0.001 0.000 0.258 1162 K C -0.024 176.476 176.600 -0.166 0.000 1.008 1162 K CA -0.161 56.034 56.287 -0.153 0.000 0.928 1162 K CB 0.428 32.831 32.500 -0.161 0.000 0.983 1162 K HN 0.570 nan 8.250 nan 0.000 0.484 1163 E N -0.684 119.382 120.200 -0.224 0.000 3.547 1163 E HA -0.212 4.137 4.350 -0.001 0.000 0.300 1163 E C -0.809 175.535 176.600 -0.427 0.000 0.857 1163 E CA 1.130 57.351 56.400 -0.298 0.000 1.039 1163 E CB -1.668 27.911 29.700 -0.202 0.000 1.524 1163 E HN 0.653 nan 8.360 nan 0.000 0.457 1164 D N -0.161 120.063 120.400 -0.293 0.000 2.372 1164 D HA 0.239 4.878 4.640 -0.001 0.000 0.243 1164 D C 0.123 176.218 176.300 -0.342 0.000 1.121 1164 D CA 0.218 54.092 54.000 -0.210 0.000 0.898 1164 D CB 0.233 41.026 40.800 -0.012 0.000 1.202 1164 D HN -0.009 nan 8.370 nan 0.000 0.428 1165 Y N 0.994 121.273 120.300 -0.035 0.000 2.330 1165 Y HA 0.434 4.984 4.550 -0.001 0.000 0.336 1165 Y C 0.693 176.515 175.900 -0.131 0.000 1.036 1165 Y CA -0.713 57.336 58.100 -0.084 0.000 1.125 1165 Y CB 0.793 39.193 38.460 -0.100 0.000 1.194 1165 Y HN 0.209 nan 8.280 nan 0.000 0.469 1166 I N -1.378 119.188 120.570 -0.007 0.000 3.466 1166 I HA 0.599 4.768 4.170 -0.001 0.000 0.311 1166 I C -1.927 174.152 176.117 -0.063 0.000 1.155 1166 I CA -1.416 59.837 61.300 -0.078 0.000 0.959 1166 I CB 2.916 40.971 38.000 0.092 0.000 1.332 1166 I HN 0.461 nan 8.210 nan 0.000 0.483 1167 Y N 2.052 122.370 120.300 0.030 0.000 2.363 1167 Y HA 0.460 5.009 4.550 -0.001 0.000 0.325 1167 Y C -0.698 175.210 175.900 0.014 0.000 0.984 1167 Y CA -1.040 57.060 58.100 -0.001 0.000 1.248 1167 Y CB 2.150 40.603 38.460 -0.012 0.000 1.116 1167 Y HN 0.370 nan 8.280 nan 0.000 0.470 1168 L N 5.426 126.749 121.223 0.168 0.000 2.433 1168 L HA 0.270 4.609 4.340 -0.001 0.000 0.284 1168 L C -0.496 176.507 176.870 0.221 0.000 1.120 1168 L CA 0.280 55.230 54.840 0.183 0.000 0.879 1168 L CB -0.544 41.607 42.059 0.155 0.000 1.232 1168 L HN 0.513 nan 8.230 nan 0.000 0.454 1169 D N 4.294 124.812 120.400 0.198 0.000 2.529 1169 D HA 0.636 5.275 4.640 -0.001 0.000 0.273 1169 D C -0.749 175.670 176.300 0.199 0.000 1.197 1169 D CA 0.244 54.317 54.000 0.122 0.000 1.070 1169 D CB 1.208 41.971 40.800 -0.062 0.000 1.134 1169 D HN 0.357 nan 8.370 nan 0.000 0.590 1170 F N -1.883 117.919 119.950 -0.247 0.000 2.725 1170 F HA 0.485 5.012 4.527 -0.001 0.000 0.311 1170 F C -1.962 173.580 175.800 -0.431 0.000 1.121 1170 F CA -1.354 56.384 58.000 -0.436 0.000 0.978 1170 F CB 0.254 38.730 39.000 -0.874 0.000 1.274 1170 F HN 0.029 nan 8.300 nan 0.000 0.440 1171 F N 2.863 122.665 119.950 -0.246 0.000 2.399 1171 F HA 0.421 4.947 4.527 -0.002 0.000 0.342 1171 F C 0.447 176.053 175.800 -0.324 0.000 1.106 1171 F CA -0.063 57.767 58.000 -0.284 0.000 1.196 1171 F CB 0.969 39.889 39.000 -0.132 0.000 1.163 1171 F HN 0.666 nan 8.300 nan 0.000 0.547 1172 N N 3.255 121.840 118.700 -0.193 0.000 2.607 1172 N HA 0.450 5.189 4.740 -0.001 0.000 0.271 1172 N C 0.350 175.807 175.510 -0.089 0.000 1.142 1172 N CA 0.656 53.549 53.050 -0.261 0.000 0.810 1172 N CB 0.843 38.858 38.487 -0.786 0.000 1.306 1172 N HN 0.759 nan 8.380 nan 0.000 0.536 1173 L N 3.289 124.509 121.223 -0.006 0.000 4.467 1173 L HA -0.400 3.939 4.340 -0.001 0.000 0.053 1173 L C 0.986 177.892 176.870 0.059 0.000 3.826 1173 L CA 2.228 57.081 54.840 0.022 0.000 1.082 1173 L CB -1.916 40.156 42.059 0.022 0.000 3.280 1173 L HN 0.659 nan 8.230 nan 0.000 0.950 1174 N N -0.833 117.923 118.700 0.092 0.000 2.382 1174 N HA 0.185 4.924 4.740 -0.001 0.000 0.200 1174 N C 0.814 176.442 175.510 0.197 0.000 1.122 1174 N CA 0.614 53.740 53.050 0.125 0.000 0.870 1174 N CB 0.518 39.056 38.487 0.086 0.000 1.176 1174 N HN 0.892 nan 8.380 nan 0.000 0.474 1175 Q N 0.969 120.879 119.800 0.183 0.000 2.417 1175 Q HA 0.190 4.529 4.340 -0.001 0.000 0.241 1175 Q C -0.280 175.792 176.000 0.120 0.000 1.008 1175 Q CA 0.352 56.283 55.803 0.215 0.000 0.901 1175 Q CB 1.195 30.200 28.738 0.445 0.000 1.259 1175 Q HN 0.084 nan 8.270 nan 0.000 0.489 1176 E N 1.292 121.513 120.200 0.034 0.000 2.141 1176 E HA 0.176 4.525 4.350 -0.001 0.000 0.259 1176 E C -1.424 175.141 176.600 -0.059 0.000 0.883 1176 E CA -0.482 55.759 56.400 -0.266 0.000 0.744 1176 E CB 0.652 30.116 29.700 -0.394 0.000 1.150 1176 E HN 0.383 nan 8.360 nan 0.000 0.420 1177 W N 2.411 123.321 121.300 -0.651 0.000 2.367 1177 W HA 0.498 5.157 4.660 -0.001 0.000 0.369 1177 W C 0.661 177.025 176.519 -0.258 0.000 1.276 1177 W CA -0.710 56.374 57.345 -0.435 0.000 1.415 1177 W CB 0.570 29.719 29.460 -0.518 0.000 1.306 1177 W HN 0.460 nan 8.180 nan 0.000 0.669 1178 R N -0.373 120.222 120.500 0.158 0.000 2.943 1178 R HA 0.787 5.126 4.340 -0.001 0.000 0.246 1178 R C -1.642 174.656 176.300 -0.003 0.000 1.201 1178 R CA -0.733 55.323 56.100 -0.072 0.000 1.056 1178 R CB 1.594 31.561 30.300 -0.555 0.000 1.243 1178 R HN 0.251 nan 8.270 nan 0.000 0.498 1179 V N 2.888 122.685 119.914 -0.195 0.000 2.325 1179 V HA 0.388 4.507 4.120 -0.001 0.000 0.280 1179 V C -1.214 174.844 176.094 -0.059 0.000 1.016 1179 V CA -0.533 61.734 62.300 -0.055 0.000 0.818 1179 V CB 0.710 32.526 31.823 -0.011 0.000 1.019 1179 V HN 0.627 nan 8.190 nan 0.000 0.434 1180 Y N 1.870 122.230 120.300 0.100 0.000 2.654 1180 Y HA 0.792 5.341 4.550 -0.001 0.000 0.328 1180 Y C 0.995 176.761 175.900 -0.222 0.000 1.174 1180 Y CA -0.877 57.264 58.100 0.068 0.000 1.293 1180 Y CB 1.365 39.861 38.460 0.060 0.000 1.464 1180 Y HN 0.481 nan 8.280 nan 0.000 0.559 1181 T N -1.668 112.808 114.554 -0.130 0.000 2.910 1181 T HA 0.175 4.524 4.350 -0.001 0.000 0.287 1181 T C 0.114 174.791 174.700 -0.039 0.000 1.050 1181 T CA -0.701 61.202 62.100 -0.330 0.000 1.011 1181 T CB 1.248 69.775 68.868 -0.568 0.000 1.195 1181 T HN 0.760 nan 8.240 nan 0.000 0.540 1182 Y N 1.008 121.211 120.300 -0.161 0.000 2.144 1182 Y HA 0.089 4.638 4.550 -0.001 0.000 0.279 1182 Y C 1.847 177.735 175.900 -0.020 0.000 1.099 1182 Y CA 1.141 59.293 58.100 0.087 0.000 1.087 1182 Y CB 0.084 38.597 38.460 0.088 0.000 1.007 1182 Y HN 0.685 nan 8.280 nan 0.000 0.482 1183 K N -2.959 117.270 120.400 -0.284 0.000 3.097 1183 K HA -0.156 4.163 4.320 -0.001 0.000 0.382 1183 K C 0.212 176.261 176.600 -0.919 0.000 1.344 1183 K CA 0.663 56.463 56.287 -0.812 0.000 1.765 1183 K CB -1.206 30.390 32.500 -1.508 0.000 1.430 1183 K HN 0.221 nan 8.250 nan 0.000 0.336 1184 Y N 2.468 122.119 120.300 -1.081 0.000 2.683 1184 Y HA 0.280 4.830 4.550 -0.001 0.000 0.297 1184 Y C 0.072 175.633 175.900 -0.566 0.000 1.147 1184 Y CA -0.743 56.912 58.100 -0.741 0.000 1.274 1184 Y CB -0.510 37.672 38.460 -0.463 0.000 1.143 1184 Y HN 0.091 nan 8.280 nan 0.000 0.527 1185 F N -0.646 119.029 119.950 -0.458 0.000 2.552 1185 F HA 0.409 4.935 4.527 -0.001 0.000 0.342 1185 F C 0.896 176.701 175.800 0.010 0.000 1.257 1185 F CA -1.166 56.839 58.000 0.009 0.000 1.058 1185 F CB -0.562 38.507 39.000 0.115 0.000 1.288 1185 F HN 0.051 nan 8.300 nan 0.000 0.627 1186 K N 1.563 121.937 120.400 -0.043 0.000 2.633 1186 K HA 0.197 4.516 4.320 -0.001 0.000 0.193 1186 K C 0.807 177.381 176.600 -0.042 0.000 1.033 1186 K CA 1.161 57.393 56.287 -0.092 0.000 0.980 1186 K CB -1.596 30.893 32.500 -0.019 0.000 0.800 1186 K HN 0.892 nan 8.250 nan 0.000 0.493 1187 K N 0.650 121.078 120.400 0.046 0.000 2.098 1187 K HA 0.364 4.684 4.320 -0.001 0.000 0.258 1187 K C 0.724 177.400 176.600 0.127 0.000 0.973 1187 K CA 0.049 56.390 56.287 0.091 0.000 0.898 1187 K CB 0.810 33.387 32.500 0.128 0.000 1.057 1187 K HN 0.489 nan 8.250 nan 0.000 0.447 1188 E N 0.437 120.687 120.200 0.083 0.000 2.204 1188 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 1188 E C 0.300 177.032 176.600 0.219 0.000 0.990 1188 E CA 1.587 58.048 56.400 0.101 0.000 0.821 1188 E CB 0.267 29.990 29.700 0.039 0.000 0.750 1188 E HN 0.709 nan 8.360 nan 0.000 0.477 1189 E N 0.049 120.369 120.200 0.200 0.000 2.430 1189 E HA 0.309 4.658 4.350 -0.001 0.000 0.279 1189 E C -1.188 175.452 176.600 0.067 0.000 1.003 1189 E CA -0.796 55.709 56.400 0.176 0.000 0.801 1189 E CB 1.402 31.135 29.700 0.055 0.000 1.313 1189 E HN 0.227 nan 8.360 nan 0.000 0.459 1190 E N 0.021 120.225 120.200 0.007 0.000 2.470 1190 E HA 0.287 4.637 4.350 -0.001 0.000 0.287 1190 E C -1.319 175.318 176.600 0.062 0.000 1.126 1190 E CA -0.987 55.368 56.400 -0.075 0.000 0.902 1190 E CB 0.531 30.152 29.700 -0.132 0.000 1.196 1190 E HN 0.369 nan 8.360 nan 0.000 0.430 1191 K N 1.651 122.195 120.400 0.240 0.000 2.611 1191 K HA -0.039 4.280 4.320 -0.001 0.000 0.280 1191 K C 0.008 176.633 176.600 0.041 0.000 0.964 1191 K CA 0.504 56.932 56.287 0.234 0.000 1.029 1191 K CB 0.156 32.742 32.500 0.143 0.000 0.862 1191 K HN 0.353 nan 8.250 nan 0.000 0.501 1192 L N 1.017 122.277 121.223 0.063 0.000 2.431 1192 L HA 0.505 4.844 4.340 -0.001 0.000 0.260 1192 L C 0.176 176.998 176.870 -0.081 0.000 1.098 1192 L CA -0.726 54.055 54.840 -0.099 0.000 0.800 1192 L CB 0.684 42.590 42.059 -0.255 0.000 1.210 1192 L HN 0.614 nan 8.230 nan 0.000 0.465 1193 F N 2.302 122.177 119.950 -0.126 0.000 2.427 1193 F HA 0.622 5.149 4.527 -0.001 0.000 0.348 1193 F C -0.563 175.337 175.800 0.166 0.000 1.125 1193 F CA -0.924 57.019 58.000 -0.096 0.000 0.989 1193 F CB 0.608 39.297 39.000 -0.518 0.000 1.165 1193 F HN 0.358 nan 8.300 nan 0.000 0.442 1194 L N 4.565 125.946 121.223 0.264 0.000 2.314 1194 L HA 0.679 5.018 4.340 -0.001 0.000 0.275 1194 L C 0.372 177.686 176.870 0.740 0.000 1.068 1194 L CA -0.434 54.718 54.840 0.519 0.000 0.894 1194 L CB 0.444 42.798 42.059 0.491 0.000 1.275 1194 L HN 0.895 nan 8.230 nan 0.000 0.432 1195 A N 4.725 127.926 122.820 0.635 0.000 2.389 1195 A HA 0.972 5.291 4.320 -0.001 0.000 0.293 1195 A C -2.627 174.855 177.584 -0.169 0.000 1.186 1195 A CA -1.729 50.434 52.037 0.209 0.000 0.828 1195 A CB 1.422 20.440 19.000 0.030 0.000 1.369 1195 A HN 0.313 nan 8.150 nan 0.000 0.446 1196 P HA 0.216 nan 4.420 nan 0.000 0.306 1196 P C -0.525 176.641 177.300 -0.225 0.000 1.301 1196 P CA -0.142 62.449 63.100 -0.848 0.000 0.744 1196 P CB 0.250 31.454 31.700 -0.828 0.000 1.400 1197 I N -0.032 120.425 120.570 -0.188 0.000 2.224 1197 I HA 0.158 4.328 4.170 -0.001 0.000 0.293 1197 I C -0.003 176.083 176.117 -0.052 0.000 1.155 1197 I CA 0.450 61.711 61.300 -0.065 0.000 1.297 1197 I CB -0.611 37.334 38.000 -0.091 0.000 1.487 1197 I HN 0.071 nan 8.210 nan 0.000 0.564 1198 S N 2.511 118.206 115.700 -0.009 0.000 2.568 1198 S HA 0.207 4.677 4.470 -0.001 0.000 0.293 1198 S C 0.100 174.680 174.600 -0.034 0.000 1.089 1198 S CA -0.660 57.508 58.200 -0.054 0.000 0.945 1198 S CB 2.294 65.428 63.200 -0.109 0.000 1.077 1198 S HN 0.491 nan 8.310 nan 0.000 0.485 1199 D N 2.362 122.735 120.400 -0.044 0.000 3.032 1199 D HA 0.102 4.741 4.640 -0.001 0.000 0.241 1199 D C 0.422 176.667 176.300 -0.092 0.000 1.196 1199 D CA -0.046 53.935 54.000 -0.031 0.000 0.927 1199 D CB -0.659 40.130 40.800 -0.018 0.000 1.129 1199 D HN 0.750 nan 8.370 nan 0.000 0.458 1200 S N 1.503 117.102 115.700 -0.170 0.000 2.711 1200 S HA -0.107 4.362 4.470 -0.001 0.000 0.335 1200 S C 1.039 175.472 174.600 -0.278 0.000 1.175 1200 S CA -0.225 57.805 58.200 -0.284 0.000 1.372 1200 S CB -0.104 62.886 63.200 -0.350 0.000 1.337 1200 S HN 0.279 nan 8.310 nan 0.000 0.572 1201 D N 2.071 122.343 120.400 -0.213 0.000 2.390 1201 D HA -0.057 4.582 4.640 -0.001 0.000 0.235 1201 D C 1.225 177.385 176.300 -0.235 0.000 1.040 1201 D CA 0.998 54.906 54.000 -0.153 0.000 0.923 1201 D CB 0.196 40.941 40.800 -0.091 0.000 0.886 1201 D HN 0.777 nan 8.370 nan 0.000 0.532 1202 E N -1.091 118.830 120.200 -0.466 0.000 2.340 1202 E HA 0.080 4.429 4.350 -0.001 0.000 0.194 1202 E C -0.214 176.048 176.600 -0.564 0.000 0.996 1202 E CA 0.272 56.322 56.400 -0.584 0.000 0.869 1202 E CB 0.287 29.395 29.700 -0.987 0.000 0.835 1202 E HN 0.249 nan 8.360 nan 0.000 0.493 1203 F N -0.554 119.294 119.950 -0.169 0.000 2.579 1203 F HA 0.389 4.915 4.527 -0.001 0.000 0.324 1203 F C -0.179 175.567 175.800 -0.089 0.000 1.058 1203 F CA -1.699 56.192 58.000 -0.182 0.000 0.944 1203 F CB 0.425 39.321 39.000 -0.174 0.000 1.245 1203 F HN -0.209 nan 8.300 nan 0.000 0.477 1204 Y N 1.771 122.237 120.300 0.278 0.000 2.301 1204 Y HA 0.230 4.780 4.550 -0.001 0.000 0.325 1204 Y C 1.064 177.262 175.900 0.496 0.000 1.203 1204 Y CA -0.778 57.489 58.100 0.278 0.000 1.255 1204 Y CB 0.831 39.387 38.460 0.159 0.000 1.232 1204 Y HN 0.596 nan 8.280 nan 0.000 0.501 1205 N N -1.456 117.650 118.700 0.676 0.000 2.820 1205 N HA 0.025 4.764 4.740 -0.001 0.000 0.236 1205 N C 0.057 175.866 175.510 0.498 0.000 1.023 1205 N CA 0.220 53.568 53.050 0.497 0.000 1.062 1205 N CB -0.899 37.747 38.487 0.265 0.000 1.582 1205 N HN 0.394 nan 8.380 nan 0.000 0.485 1206 T N 1.871 116.739 114.554 0.523 0.000 2.923 1206 T HA 0.164 4.513 4.350 -0.001 0.000 0.320 1206 T C 0.170 174.985 174.700 0.192 0.000 1.074 1206 T CA 0.596 62.950 62.100 0.424 0.000 1.131 1206 T CB 0.040 69.088 68.868 0.300 0.000 1.058 1206 T HN 0.201 nan 8.240 nan 0.000 0.535 1207 I N 1.950 122.551 120.570 0.051 0.000 2.656 1207 I HA 0.294 4.463 4.170 -0.001 0.000 0.292 1207 I C -0.160 175.914 176.117 -0.071 0.000 1.144 1207 I CA -0.705 60.479 61.300 -0.193 0.000 1.038 1207 I CB 2.426 40.211 38.000 -0.358 0.000 1.244 1207 I HN 0.477 nan 8.210 nan 0.000 0.420 1208 Q N 6.429 126.158 119.800 -0.118 0.000 2.462 1208 Q HA 0.444 4.783 4.340 -0.001 0.000 0.247 1208 Q C -0.891 174.989 176.000 -0.200 0.000 1.044 1208 Q CA -0.627 55.033 55.803 -0.238 0.000 0.803 1208 Q CB 1.602 30.157 28.738 -0.306 0.000 1.190 1208 Q HN 0.670 nan 8.270 nan 0.000 0.507 1209 I N 4.238 124.698 120.570 -0.183 0.000 2.598 1209 I HA 0.061 4.230 4.170 -0.001 0.000 0.284 1209 I C -0.715 175.289 176.117 -0.188 0.000 1.140 1209 I CA 0.466 61.686 61.300 -0.133 0.000 1.420 1209 I CB 0.106 38.049 38.000 -0.096 0.000 1.387 1209 I HN 0.523 nan 8.210 nan 0.000 0.553 1210 K N 5.543 125.818 120.400 -0.209 0.000 2.349 1210 K HA 0.498 4.817 4.320 -0.001 0.000 0.243 1210 K C -1.241 175.133 176.600 -0.376 0.000 1.058 1210 K CA -0.880 55.189 56.287 -0.363 0.000 0.871 1210 K CB 1.587 33.724 32.500 -0.606 0.000 1.337 1210 K HN 0.384 nan 8.250 nan 0.000 0.469 1211 E N 0.586 120.494 120.200 -0.487 0.000 2.409 1211 E HA 0.223 4.573 4.350 -0.001 0.000 0.259 1211 E C -0.985 175.347 176.600 -0.446 0.000 0.932 1211 E CA -0.128 56.050 56.400 -0.370 0.000 0.809 1211 E CB 0.327 29.886 29.700 -0.235 0.000 1.341 1211 E HN 0.496 nan 8.360 nan 0.000 0.405 1212 Y N 1.054 121.195 120.300 -0.265 0.000 2.476 1212 Y HA 0.194 4.744 4.550 -0.001 0.000 0.283 1212 Y C 0.792 176.299 175.900 -0.656 0.000 1.109 1212 Y CA 0.104 57.995 58.100 -0.348 0.000 1.246 1212 Y CB 0.344 38.689 38.460 -0.192 0.000 1.068 1212 Y HN 0.422 nan 8.280 nan 0.000 0.552 1213 D N 1.359 121.257 120.400 -0.837 0.000 2.401 1213 D HA -0.030 4.609 4.640 -0.001 0.000 0.254 1213 D C 0.562 176.687 176.300 -0.293 0.000 1.192 1213 D CA 0.413 53.948 54.000 -0.776 0.000 0.885 1213 D CB 0.791 41.250 40.800 -0.567 0.000 1.147 1213 D HN 0.394 nan 8.370 nan 0.000 0.478 1214 E N 1.855 121.957 120.200 -0.163 0.000 2.358 1214 E HA -0.057 4.292 4.350 -0.001 0.000 0.195 1214 E C 0.362 176.931 176.600 -0.052 0.000 1.010 1214 E CA 0.282 56.635 56.400 -0.078 0.000 0.856 1214 E CB 0.335 30.013 29.700 -0.036 0.000 0.795 1214 E HN 0.516 nan 8.360 nan 0.000 0.504 1215 Q N 0.669 120.444 119.800 -0.042 0.000 2.212 1215 Q HA 0.282 4.621 4.340 -0.001 0.000 0.238 1215 Q C -2.334 173.642 176.000 -0.040 0.000 0.955 1215 Q CA -2.299 53.498 55.803 -0.009 0.000 0.906 1215 Q CB 0.050 28.814 28.738 0.042 0.000 1.215 1215 Q HN -0.077 nan 8.270 nan 0.000 0.478 1216 P HA 0.043 nan 4.420 nan 0.000 0.265 1216 P C -0.524 176.723 177.300 -0.088 0.000 1.193 1216 P CA 0.589 63.625 63.100 -0.107 0.000 0.765 1216 P CB 0.575 32.124 31.700 -0.252 0.000 0.823 1217 T N 2.010 116.488 114.554 -0.127 0.000 2.893 1217 T HA 0.323 4.672 4.350 -0.001 0.000 0.337 1217 T C -0.801 173.866 174.700 -0.056 0.000 1.587 1217 T CA -0.329 61.669 62.100 -0.170 0.000 1.066 1217 T CB 0.262 69.088 68.868 -0.069 0.000 1.414 1217 T HN 0.053 nan 8.240 nan 0.000 0.488 1218 Y N 1.053 121.339 120.300 -0.023 0.000 2.458 1218 Y HA 0.474 5.023 4.550 -0.002 0.000 0.256 1218 Y C 1.567 177.458 175.900 -0.015 0.000 1.159 1218 Y CA -0.702 57.377 58.100 -0.035 0.000 1.261 1218 Y CB 0.022 38.429 38.460 -0.089 0.000 1.119 1218 Y HN 0.368 nan 8.280 nan 0.000 0.524 1219 S N 0.605 116.371 115.700 0.110 0.000 2.601 1219 S HA 0.498 4.967 4.470 -0.001 0.000 0.271 1219 S C 0.093 174.738 174.600 0.076 0.000 1.305 1219 S CA -0.464 57.791 58.200 0.092 0.000 1.022 1219 S CB 0.827 64.075 63.200 0.080 0.000 0.940 1219 S HN 0.447 nan 8.310 nan 0.000 0.525 1220 C N 2.060 121.417 119.300 0.095 0.000 3.241 1220 C HA 0.825 5.284 4.460 -0.001 0.000 0.312 1220 C C -1.442 173.637 174.990 0.150 0.000 1.350 1220 C CA -1.027 58.046 59.018 0.091 0.000 1.415 1220 C CB 0.674 28.490 27.740 0.127 0.000 1.770 1220 C HN 0.696 nan 8.230 nan 0.000 0.466 1221 Q N 0.698 120.567 119.800 0.115 0.000 2.301 1221 Q HA 0.839 5.178 4.340 -0.001 0.000 0.267 1221 Q C -1.122 174.962 176.000 0.140 0.000 1.035 1221 Q CA -0.347 55.574 55.803 0.197 0.000 0.856 1221 Q CB 1.751 30.657 28.738 0.281 0.000 1.337 1221 Q HN 0.751 nan 8.270 nan 0.000 0.450 1222 L N 2.286 123.615 121.223 0.176 0.000 2.342 1222 L HA 0.588 4.927 4.340 -0.001 0.000 0.276 1222 L C -1.156 175.750 176.870 0.060 0.000 0.997 1222 L CA -0.538 54.329 54.840 0.045 0.000 0.838 1222 L CB 1.076 43.114 42.059 -0.036 0.000 1.224 1222 L HN 0.413 nan 8.230 nan 0.000 0.416 1223 L N 2.228 123.455 121.223 0.005 0.000 2.362 1223 L HA 0.671 5.011 4.340 -0.001 0.000 0.271 1223 L C -1.216 175.637 176.870 -0.027 0.000 1.002 1223 L CA -0.292 54.602 54.840 0.091 0.000 0.818 1223 L CB 1.979 44.147 42.059 0.181 0.000 1.298 1223 L HN 0.253 nan 8.230 nan 0.000 0.420 1224 F N 3.180 123.210 119.950 0.133 0.000 2.399 1224 F HA 0.568 5.095 4.527 -0.001 0.000 0.328 1224 F C 0.129 175.941 175.800 0.021 0.000 1.084 1224 F CA -0.290 57.760 58.000 0.082 0.000 1.053 1224 F CB 1.589 40.649 39.000 0.101 0.000 1.209 1224 F HN 0.317 nan 8.300 nan 0.000 0.502 1225 K N 0.591 121.071 120.400 0.133 0.000 2.502 1225 K HA 0.410 4.730 4.320 -0.001 0.000 0.257 1225 K C 0.545 177.002 176.600 -0.239 0.000 0.938 1225 K CA -0.681 55.607 56.287 0.001 0.000 0.819 1225 K CB 1.906 34.461 32.500 0.091 0.000 1.333 1225 K HN 0.526 nan 8.250 nan 0.000 0.434 1226 K N 1.496 121.750 120.400 -0.243 0.000 2.228 1226 K HA -0.163 4.157 4.320 -0.001 0.000 0.205 1226 K C 0.417 176.934 176.600 -0.139 0.000 1.045 1226 K CA 2.509 58.632 56.287 -0.273 0.000 0.931 1226 K CB -0.942 31.537 32.500 -0.035 0.000 0.727 1226 K HN 0.884 nan 8.250 nan 0.000 0.458 1227 D N -4.312 116.041 120.400 -0.078 0.000 2.926 1227 D HA 0.037 4.676 4.640 -0.001 0.000 0.272 1227 D C -0.834 175.421 176.300 -0.075 0.000 1.172 1227 D CA -0.484 53.489 54.000 -0.045 0.000 0.731 1227 D CB 0.035 40.830 40.800 -0.008 0.000 1.282 1227 D HN -0.076 nan 8.370 nan 0.000 0.430 1228 E N 0.046 120.125 120.200 -0.202 0.000 2.526 1228 E HA -0.065 4.284 4.350 -0.001 0.000 0.206 1228 E C 0.572 177.082 176.600 -0.150 0.000 1.139 1228 E CA 1.328 57.477 56.400 -0.418 0.000 0.913 1228 E CB 0.079 29.341 29.700 -0.730 0.000 0.868 1228 E HN 0.440 nan 8.360 nan 0.000 0.564 1229 E N -0.902 119.268 120.200 -0.051 0.000 3.249 1229 E HA 0.077 4.426 4.350 -0.001 0.000 0.184 1229 E C 0.182 176.798 176.600 0.027 0.000 1.163 1229 E CA 0.290 56.690 56.400 -0.001 0.000 1.353 1229 E CB -0.031 29.663 29.700 -0.009 0.000 1.466 1229 E HN 0.114 nan 8.360 nan 0.000 0.502 1230 S N 2.218 117.930 115.700 0.021 0.000 2.885 1230 S HA -0.102 4.367 4.470 -0.001 0.000 0.334 1230 S C 1.263 175.887 174.600 0.040 0.000 1.224 1230 S CA 0.553 58.770 58.200 0.029 0.000 1.080 1230 S CB 0.289 63.505 63.200 0.026 0.000 0.801 1230 S HN 0.412 nan 8.310 nan 0.000 0.510 1231 T N -0.742 113.838 114.554 0.043 0.000 2.996 1231 T HA -0.170 4.179 4.350 -0.001 0.000 0.271 1231 T C 0.529 175.259 174.700 0.049 0.000 1.126 1231 T CA 0.904 63.034 62.100 0.050 0.000 1.103 1231 T CB -0.605 68.288 68.868 0.043 0.000 0.870 1231 T HN 0.750 nan 8.240 nan 0.000 0.528 1232 D N 2.475 122.899 120.400 0.040 0.000 2.479 1232 D HA 0.004 4.643 4.640 -0.001 0.000 0.257 1232 D C 0.208 176.533 176.300 0.042 0.000 1.230 1232 D CA 0.491 54.513 54.000 0.036 0.000 0.912 1232 D CB 0.402 41.221 40.800 0.032 0.000 1.130 1232 D HN 0.585 nan 8.370 nan 0.000 0.515 1233 E N 2.847 123.080 120.200 0.055 0.000 2.292 1233 E HA 0.243 4.592 4.350 -0.001 0.000 0.258 1233 E C 0.840 177.491 176.600 0.085 0.000 1.115 1233 E CA -0.858 55.591 56.400 0.081 0.000 0.929 1233 E CB 1.400 31.163 29.700 0.103 0.000 1.161 1233 E HN 0.411 nan 8.360 nan 0.000 0.453 1234 I N -1.006 119.652 120.570 0.147 0.000 4.228 1234 I HA 0.297 4.466 4.170 -0.001 0.000 0.298 1234 I C 0.794 177.101 176.117 0.316 0.000 1.206 1234 I CA 0.436 61.855 61.300 0.199 0.000 1.322 1234 I CB 0.351 38.484 38.000 0.221 0.000 1.411 1234 I HN 0.660 nan 8.210 nan 0.000 0.454 1235 G N 1.702 110.715 108.800 0.355 0.000 2.339 1235 G HA2 0.385 4.345 3.960 -0.001 0.000 0.302 1235 G HA3 0.385 4.345 3.960 -0.001 0.000 0.302 1235 G C -1.797 173.381 174.900 0.464 0.000 1.425 1235 G CA -0.822 44.523 45.100 0.408 0.000 0.899 1235 G HN -0.021 nan 8.290 nan 0.000 0.619 1236 L N 0.560 122.090 121.223 0.511 0.000 2.325 1236 L HA 0.581 4.921 4.340 -0.001 0.000 0.278 1236 L C 0.556 177.781 176.870 0.590 0.000 1.023 1236 L CA -0.995 54.140 54.840 0.491 0.000 0.811 1236 L CB 1.854 44.149 42.059 0.394 0.000 1.249 1236 L HN 0.433 nan 8.230 nan 0.000 0.431 1237 I N 1.753 122.618 120.570 0.492 0.000 2.556 1237 I HA 0.355 4.524 4.170 -0.001 0.000 0.284 1237 I C 0.810 177.432 176.117 0.842 0.000 1.114 1237 I CA 0.495 62.150 61.300 0.592 0.000 1.418 1237 I CB 0.801 39.016 38.000 0.359 0.000 1.394 1237 I HN 0.809 nan 8.210 nan 0.000 0.552 1238 G N 6.650 115.996 108.800 0.910 0.000 2.694 1238 G HA2 0.640 4.600 3.960 -0.001 0.000 0.246 1238 G HA3 0.640 4.600 3.960 -0.001 0.000 0.246 1238 G C -1.322 173.978 174.900 0.666 0.000 1.205 1238 G CA -0.513 45.043 45.100 0.760 0.000 0.891 1238 G HN 0.408 nan 8.290 nan 0.000 0.515 1239 I N 0.527 121.343 120.570 0.410 0.000 2.571 1239 I HA 0.443 4.612 4.170 -0.001 0.000 0.289 1239 I C -1.411 174.861 176.117 0.259 0.000 1.115 1239 I CA -0.634 60.822 61.300 0.260 0.000 1.045 1239 I CB 2.496 40.520 38.000 0.039 0.000 1.238 1239 I HN 0.630 nan 8.210 nan 0.000 0.424 1240 H N 5.413 124.542 119.070 0.098 0.000 2.771 1240 H HA 0.486 5.042 4.556 -0.001 0.000 0.361 1240 H C -0.981 174.268 175.328 -0.132 0.000 1.108 1240 H CA -0.740 55.358 56.048 0.084 0.000 1.201 1240 H CB 1.864 31.801 29.762 0.292 0.000 1.681 1240 H HN 0.522 nan 8.280 nan 0.000 0.534 1241 R N 4.910 125.067 120.500 -0.572 0.000 2.390 1241 R HA 0.292 4.632 4.340 -0.001 0.000 0.291 1241 R C -0.477 175.659 176.300 -0.274 0.000 1.070 1241 R CA 0.027 55.846 56.100 -0.468 0.000 1.014 1241 R CB 0.345 30.482 30.300 -0.272 0.000 1.007 1241 R HN 0.562 nan 8.270 nan 0.000 0.466 1242 F N 1.640 121.502 119.950 -0.146 0.000 2.935 1242 F HA 0.527 5.053 4.527 -0.001 0.000 0.167 1242 F C 0.203 175.973 175.800 -0.050 0.000 1.379 1242 F CA -0.779 57.165 58.000 -0.092 0.000 0.910 1242 F CB 0.069 39.047 39.000 -0.035 0.000 2.105 1242 F HN 0.391 nan 8.300 nan 0.000 0.514 1243 Y N 0.251 120.692 120.300 0.235 0.000 2.479 1243 Y HA 0.734 5.284 4.550 -0.001 0.000 0.338 1243 Y C -1.443 174.516 175.900 0.099 0.000 1.055 1243 Y CA -1.271 56.897 58.100 0.114 0.000 1.023 1243 Y CB 1.429 39.931 38.460 0.070 0.000 1.287 1243 Y HN 0.503 nan 8.280 nan 0.000 0.447 1244 E N 2.340 122.582 120.200 0.071 0.000 2.539 1244 E HA 0.429 4.778 4.350 -0.001 0.000 0.332 1244 E C -1.484 175.139 176.600 0.039 0.000 0.910 1244 E CA -0.353 56.083 56.400 0.060 0.000 0.785 1244 E CB 1.637 31.387 29.700 0.083 0.000 1.406 1244 E HN 0.786 nan 8.360 nan 0.000 0.391 1245 S N 2.141 117.859 115.700 0.030 0.000 2.519 1245 S HA 0.701 5.170 4.470 -0.001 0.000 0.309 1245 S C 0.396 175.008 174.600 0.019 0.000 1.100 1245 S CA -0.222 57.990 58.200 0.021 0.000 1.059 1245 S CB 1.200 64.409 63.200 0.016 0.000 1.008 1245 S HN 0.562 nan 8.310 nan 0.000 0.478 1252 Y N 1.700 121.997 120.300 -0.006 0.000 2.926 1252 Y HA 0.655 5.204 4.550 -0.001 0.000 0.506 1252 Y C 0.716 176.626 175.900 0.016 0.000 1.476 1252 Y CA -0.002 58.110 58.100 0.019 0.000 2.159 1252 Y CB -0.387 38.086 38.460 0.020 0.000 1.794 1252 Y HN 1.104 nan 8.280 nan 0.000 0.668 1253 K N 1.505 121.929 120.400 0.040 0.000 2.690 1253 K HA 0.527 4.847 4.320 -0.001 0.000 0.264 1253 K C -1.694 174.864 176.600 -0.070 0.000 1.040 1253 K CA -0.085 56.218 56.287 0.026 0.000 0.946 1253 K CB 0.238 32.893 32.500 0.259 0.000 1.268 1253 K HN 0.729 nan 8.250 nan 0.000 0.473 1254 D N 1.560 121.783 120.400 -0.295 0.000 2.350 1254 D HA 0.594 5.233 4.640 -0.001 0.000 0.249 1254 D C -0.062 175.957 176.300 -0.468 0.000 1.119 1254 D CA 0.549 54.311 54.000 -0.395 0.000 0.886 1254 D CB 0.396 41.021 40.800 -0.292 0.000 1.195 1254 D HN 0.523 nan 8.370 nan 0.000 0.437 1255 Y N -0.183 119.780 120.300 -0.562 0.000 2.833 1255 Y HA 0.329 4.878 4.550 -0.001 0.000 0.319 1255 Y C 0.291 176.220 175.900 0.048 0.000 1.254 1255 Y CA -1.247 56.714 58.100 -0.231 0.000 1.138 1255 Y CB 0.267 38.618 38.460 -0.180 0.000 1.352 1255 Y HN 0.264 nan 8.280 nan 0.000 0.546 1256 F N 2.537 122.623 119.950 0.226 0.000 2.697 1256 F HA 0.054 4.580 4.527 -0.001 0.000 0.298 1256 F C 0.959 176.935 175.800 0.294 0.000 1.308 1256 F CA -1.308 56.833 58.000 0.236 0.000 1.447 1256 F CB -1.298 37.808 39.000 0.176 0.000 1.082 1256 F HN 0.484 nan 8.300 nan 0.000 0.517 1257 C N 1.009 120.639 119.300 0.549 0.000 2.275 1257 C HA 0.089 4.548 4.460 -0.001 0.000 0.391 1257 C C 1.002 176.279 174.990 0.479 0.000 1.503 1257 C CA -1.342 57.990 59.018 0.524 0.000 1.502 1257 C CB -1.525 26.578 27.740 0.605 0.000 2.529 1257 C HN 0.532 nan 8.230 nan 0.000 0.588 1258 I N 3.697 124.449 120.570 0.302 0.000 2.918 1258 I HA 0.672 4.842 4.170 -0.001 0.000 0.316 1258 I C 0.260 176.557 176.117 0.301 0.000 1.001 1258 I CA 0.168 61.654 61.300 0.309 0.000 1.142 1258 I CB 1.744 39.784 38.000 0.065 0.000 1.356 1258 I HN 1.044 nan 8.210 nan 0.000 0.524 1259 S N 2.985 118.906 115.700 0.368 0.000 2.579 1259 S HA 0.304 4.774 4.470 -0.001 0.000 0.290 1259 S C -0.340 174.401 174.600 0.235 0.000 1.123 1259 S CA -0.756 57.567 58.200 0.205 0.000 0.894 1259 S CB 1.520 64.615 63.200 -0.175 0.000 1.095 1259 S HN 0.751 nan 8.310 nan 0.000 0.450 1260 K N 2.136 122.662 120.400 0.210 0.000 2.361 1260 K HA 0.092 4.411 4.320 -0.001 0.000 0.196 1260 K C 1.339 177.989 176.600 0.082 0.000 1.039 1260 K CA 0.560 56.944 56.287 0.163 0.000 1.001 1260 K CB -0.057 32.516 32.500 0.123 0.000 0.795 1260 K HN 0.693 nan 8.250 nan 0.000 0.495 1261 W N 1.006 122.228 121.300 -0.129 0.000 2.341 1261 W HA -0.256 4.404 4.660 -0.001 0.000 0.283 1261 W C 0.979 177.437 176.519 -0.101 0.000 1.215 1261 W CA 1.532 58.779 57.345 -0.162 0.000 1.211 1261 W CB -0.170 29.124 29.460 -0.276 0.000 1.131 1261 W HN 0.037 nan 8.180 nan 0.000 0.552 1262 Y N 0.342 120.531 120.300 -0.185 0.000 2.089 1262 Y HA -0.260 4.289 4.550 -0.001 0.000 0.282 1262 Y C 2.603 178.256 175.900 -0.412 0.000 1.139 1262 Y CA 1.885 59.754 58.100 -0.384 0.000 1.123 1262 Y CB -1.529 36.893 38.460 -0.064 0.000 0.980 1262 Y HN -0.106 nan 8.280 nan 0.000 0.493 1263 L N 0.214 121.402 121.223 -0.059 0.000 2.077 1263 L HA -0.430 3.909 4.340 -0.001 0.000 0.231 1263 L C 2.669 179.415 176.870 -0.206 0.000 1.100 1263 L CA 2.823 57.591 54.840 -0.120 0.000 0.819 1263 L CB -1.561 40.476 42.059 -0.038 0.000 0.913 1263 L HN 0.308 nan 8.230 nan 0.000 0.446 1264 K N -0.382 119.875 120.400 -0.238 0.000 2.063 1264 K HA -0.198 4.121 4.320 -0.001 0.000 0.208 1264 K C 1.928 178.354 176.600 -0.290 0.000 1.048 1264 K CA 1.792 57.939 56.287 -0.233 0.000 0.928 1264 K CB -0.759 31.606 32.500 -0.225 0.000 0.713 1264 K HN 0.418 nan 8.250 nan 0.000 0.442 1265 E N 0.535 120.461 120.200 -0.457 0.000 2.051 1265 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 1265 E C 2.366 178.773 176.600 -0.321 0.000 0.991 1265 E CA 1.804 57.933 56.400 -0.451 0.000 0.799 1265 E CB -0.811 28.462 29.700 -0.713 0.000 0.748 1265 E HN 0.568 nan 8.360 nan 0.000 0.449 1266 V N 0.021 119.745 119.914 -0.316 0.000 2.380 1266 V HA -0.258 3.861 4.120 -0.001 0.000 0.251 1266 V C 1.953 177.991 176.094 -0.093 0.000 1.063 1266 V CA 1.978 64.138 62.300 -0.233 0.000 1.055 1266 V CB -0.774 30.680 31.823 -0.615 0.000 0.657 1266 V HN 0.090 nan 8.190 nan 0.000 0.455 1267 K N 0.128 120.443 120.400 -0.141 0.000 2.442 1267 K HA -0.001 4.318 4.320 -0.001 0.000 0.198 1267 K C 1.099 177.684 176.600 -0.025 0.000 1.044 1267 K CA 0.399 56.650 56.287 -0.059 0.000 0.948 1267 K CB -0.183 32.275 32.500 -0.070 0.000 0.762 1267 K HN 0.516 nan 8.250 nan 0.000 0.472 1268 R N 1.717 122.182 120.500 -0.059 0.000 2.590 1268 R HA 0.087 4.427 4.340 -0.001 0.000 0.274 1268 R C -0.270 176.038 176.300 0.012 0.000 1.061 1268 R CA 0.364 56.436 56.100 -0.046 0.000 1.081 1268 R CB 0.517 30.758 30.300 -0.098 0.000 0.984 1268 R HN -0.140 nan 8.270 nan 0.000 0.448 1269 K N 3.529 123.939 120.400 0.016 0.000 2.378 1269 K HA 0.366 4.685 4.320 -0.001 0.000 0.252 1269 K C -2.136 174.477 176.600 0.021 0.000 0.931 1269 K CA -1.870 54.442 56.287 0.042 0.000 0.794 1269 K CB 1.523 34.048 32.500 0.041 0.000 1.181 1269 K HN 0.544 nan 8.250 nan 0.000 0.425 1270 P HA 0.085 nan 4.420 nan 0.000 0.271 1270 P C -0.348 176.998 177.300 0.077 0.000 1.216 1270 P CA -0.349 62.786 63.100 0.058 0.000 0.776 1270 P CB 0.372 32.099 31.700 0.045 0.000 0.881 1271 Y N 2.363 122.660 120.300 -0.006 0.000 2.890 1271 Y HA -0.119 4.431 4.550 -0.000 0.000 0.341 1271 Y C 0.798 176.689 175.900 -0.014 0.000 1.269 1271 Y CA 0.467 58.561 58.100 -0.011 0.000 1.517 1271 Y CB 0.100 38.563 38.460 0.006 0.000 1.314 1271 Y HN 0.384 nan 8.280 nan 0.000 0.622 1272 N N 5.623 123.852 118.700 -0.784 0.000 2.415 1272 N HA 0.140 4.879 4.740 -0.001 0.000 0.246 1272 N C 0.440 175.652 175.510 -0.496 0.000 1.078 1272 N CA 0.016 52.750 53.050 -0.526 0.000 0.942 1272 N CB 0.302 38.515 38.487 -0.457 0.000 1.140 1272 N HN 0.791 nan 8.380 nan 0.000 0.501 1273 L N 2.631 123.763 121.223 -0.152 0.000 2.072 1273 L HA -0.015 4.324 4.340 -0.001 0.000 0.205 1273 L C 1.370 178.199 176.870 -0.068 0.000 1.079 1273 L CA 0.909 55.733 54.840 -0.026 0.000 0.752 1273 L CB -0.154 41.921 42.059 0.026 0.000 0.906 1273 L HN 0.506 nan 8.230 nan 0.000 0.436 1274 K N 0.526 120.878 120.400 -0.080 0.000 2.591 1274 K HA 0.136 4.455 4.320 -0.001 0.000 0.197 1274 K C 0.455 177.001 176.600 -0.090 0.000 1.026 1274 K CA -0.141 56.099 56.287 -0.078 0.000 1.127 1274 K CB -0.065 32.407 32.500 -0.045 0.000 0.871 1274 K HN 0.229 nan 8.250 nan 0.000 0.507 1275 L N -0.461 120.687 121.223 -0.125 0.000 2.479 1275 L HA -0.013 4.326 4.340 -0.001 0.000 0.270 1275 L C 1.655 178.439 176.870 -0.143 0.000 1.236 1275 L CA 0.066 54.855 54.840 -0.085 0.000 0.823 1275 L CB 0.504 42.454 42.059 -0.182 0.000 1.098 1275 L HN 0.231 nan 8.230 nan 0.000 0.500 1276 G N -0.686 108.096 108.800 -0.029 0.000 2.939 1276 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.210 1276 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.210 1276 G C 1.099 175.732 174.900 -0.445 0.000 1.160 1276 G CA 0.481 45.490 45.100 -0.151 0.000 0.770 1276 G HN 0.846 nan 8.290 nan 0.000 0.543 1277 C N -1.212 117.698 119.300 -0.650 0.000 2.791 1277 C HA 0.331 4.791 4.460 -0.001 0.000 0.270 1277 C C 0.678 175.449 174.990 -0.366 0.000 1.257 1277 C CA -1.516 57.108 59.018 -0.656 0.000 1.699 1277 C CB -1.576 25.511 27.740 -1.088 0.000 1.904 1277 C HN 0.234 nan 8.230 nan 0.000 0.603 1278 N N 0.911 119.359 118.700 -0.420 0.000 2.402 1278 N HA 0.330 5.070 4.740 -0.001 0.000 0.252 1278 N C -0.955 174.306 175.510 -0.414 0.000 1.118 1278 N CA -0.131 52.782 53.050 -0.228 0.000 0.945 1278 N CB 0.407 38.820 38.487 -0.123 0.000 1.147 1278 N HN 0.573 nan 8.380 nan 0.000 0.495 1279 W N 1.078 122.295 121.300 -0.137 0.000 2.576 1279 W HA 0.477 5.136 4.660 -0.002 0.000 0.360 1279 W C 0.138 176.498 176.519 -0.265 0.000 1.109 1279 W CA -0.574 56.615 57.345 -0.260 0.000 1.237 1279 W CB 1.100 30.329 29.460 -0.386 0.000 1.369 1279 W HN 0.144 nan 8.180 nan 0.000 0.609 1280 Q N 0.828 120.595 119.800 -0.054 0.000 2.345 1280 Q HA 0.432 4.771 4.340 -0.001 0.000 0.275 1280 Q C -1.646 174.112 176.000 -0.403 0.000 1.063 1280 Q CA -0.967 54.781 55.803 -0.092 0.000 0.819 1280 Q CB 2.627 31.553 28.738 0.312 0.000 1.356 1280 Q HN 0.305 nan 8.270 nan 0.000 0.418 1281 F N 2.021 121.922 119.950 -0.082 0.000 2.443 1281 F HA 0.554 5.081 4.527 -0.001 0.000 0.335 1281 F C 0.090 175.747 175.800 -0.239 0.000 1.104 1281 F CA -0.677 57.156 58.000 -0.279 0.000 1.013 1281 F CB 1.076 39.584 39.000 -0.819 0.000 1.136 1281 F HN 0.254 nan 8.300 nan 0.000 0.470 1282 I N 5.246 125.902 120.570 0.144 0.000 2.411 1282 I HA 0.342 4.512 4.170 -0.001 0.000 0.284 1282 I C -2.627 173.845 176.117 0.592 0.000 1.012 1282 I CA -2.002 59.373 61.300 0.125 0.000 1.119 1282 I CB 1.856 39.709 38.000 -0.246 0.000 1.261 1282 I HN 0.271 nan 8.210 nan 0.000 0.448 1283 P HA 0.273 nan 4.420 nan 0.000 0.287 1283 P C -1.003 176.664 177.300 0.612 0.000 1.279 1283 P CA -0.863 62.608 63.100 0.618 0.000 0.867 1283 P CB 1.424 33.420 31.700 0.494 0.000 1.127 1284 K N 1.705 122.272 120.400 0.278 0.000 2.484 1284 K HA 0.091 4.411 4.320 -0.001 0.000 0.280 1284 K C 0.085 176.788 176.600 0.172 0.000 1.013 1284 K CA 0.922 57.184 56.287 -0.041 0.000 1.029 1284 K CB 0.009 32.364 32.500 -0.242 0.000 0.902 1284 K HN 0.560 nan 8.250 nan 0.000 0.481 1285 D N 1.415 121.957 120.400 0.235 0.000 2.819 1285 D HA 0.018 4.658 4.640 -0.001 0.000 0.232 1285 D C 0.671 177.002 176.300 0.052 0.000 1.160 1285 D CA -0.206 53.822 54.000 0.047 0.000 0.858 1285 D CB 1.333 41.934 40.800 -0.332 0.000 1.610 1285 D HN 0.557 nan 8.370 nan 0.000 0.481 1286 E N 1.453 121.664 120.200 0.018 0.000 2.333 1286 E HA -0.056 4.293 4.350 -0.001 0.000 0.198 1286 E C 1.330 178.036 176.600 0.177 0.000 1.007 1286 E CA 0.815 57.256 56.400 0.068 0.000 0.845 1286 E CB -0.080 29.613 29.700 -0.012 0.000 0.766 1286 E HN 0.417 nan 8.360 nan 0.000 0.507 1287 G N 0.257 109.136 108.800 0.132 0.000 2.813 1287 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.209 1287 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.209 1287 G C -0.430 174.442 174.900 -0.046 0.000 1.150 1287 G CA -0.302 44.853 45.100 0.092 0.000 0.785 1287 G HN 0.301 nan 8.290 nan 0.000 0.535 1288 W N 2.387 123.572 121.300 -0.192 0.000 2.687 1288 W HA 0.477 5.136 4.660 -0.002 0.000 0.328 1288 W C -0.999 175.544 176.519 0.039 0.000 1.012 1288 W CA -0.699 56.556 57.345 -0.149 0.000 1.262 1288 W CB 1.507 30.889 29.460 -0.129 0.000 1.331 1288 W HN 0.006 nan 8.180 nan 0.000 0.433 1289 T N 2.220 116.567 114.554 -0.345 0.000 2.812 1289 T HA 0.638 4.987 4.350 -0.001 0.000 0.282 1289 T C -0.428 174.127 174.700 -0.242 0.000 0.990 1289 T CA -0.515 61.530 62.100 -0.093 0.000 0.960 1289 T CB 2.613 71.444 68.868 -0.062 0.000 0.948 1289 T HN 0.550 nan 8.240 nan 0.000 0.438 1290 E N 0.000 120.241 120.200 0.069 0.000 2.725 1290 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 1290 E CA 0.000 56.504 56.400 0.174 0.000 0.976 1290 E CB 0.000 29.881 29.700 0.302 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440