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 1i1e_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 NSQSINDDIV RKEDYIYLDF FNLNQEWRVY TYKYFKKEEE KLFLAPISDS DATA SEQUENCE DEFYNTIQIK EYDEQPTYSC QLLFKKDEES TDEIGLIGIH RFYESGIVFE 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 0.000 177.301 177.300 0.001 0.000 1.155 1 P CA 0.000 63.101 63.100 0.002 0.000 0.800 1 P CB 0.000 31.700 31.700 -0.000 0.000 0.726 2 V N 0.112 120.031 119.914 0.008 0.000 2.483 2 V HA 0.573 4.692 4.120 -0.003 0.000 0.295 2 V C 0.027 176.125 176.094 0.006 0.000 1.035 2 V CA -0.067 62.240 62.300 0.012 0.000 0.896 2 V CB 1.672 33.515 31.823 0.033 0.000 0.986 2 V HN 0.691 nan 8.190 nan 0.000 0.447 3 T N 6.014 120.564 114.554 -0.006 0.000 2.772 3 T HA 0.522 4.871 4.350 -0.003 0.000 0.288 3 T C -0.283 174.394 174.700 -0.039 0.000 0.994 3 T CA -0.285 61.801 62.100 -0.024 0.000 0.951 3 T CB 0.607 69.454 68.868 -0.034 0.000 0.933 3 T HN 0.275 nan 8.240 nan 0.000 0.447 4 I N 4.160 124.702 120.570 -0.046 0.000 2.342 4 I HA 0.288 4.456 4.170 -0.003 0.000 0.291 4 I C 0.642 176.659 176.117 -0.166 0.000 1.010 4 I CA -0.737 60.510 61.300 -0.089 0.000 1.308 4 I CB 0.572 38.541 38.000 -0.051 0.000 1.400 4 I HN 0.521 nan 8.210 nan 0.000 0.488 5 N N 5.760 124.317 118.700 -0.239 0.000 2.379 5 N HA 0.332 5.070 4.740 -0.003 0.000 0.260 5 N C -0.270 174.809 175.510 -0.717 0.000 1.254 5 N CA -0.288 52.545 53.050 -0.360 0.000 0.958 5 N CB 0.821 39.179 38.487 -0.215 0.000 1.208 5 N HN 0.496 nan 8.380 nan 0.000 0.532 6 N N -0.013 118.204 118.700 -0.805 0.000 2.249 6 N HA 0.543 5.281 4.740 -0.003 0.000 0.296 6 N C -1.300 173.753 175.510 -0.762 0.000 1.051 6 N CA -0.245 52.313 53.050 -0.819 0.000 0.815 6 N CB 1.819 40.105 38.487 -0.334 0.000 1.487 6 N HN 0.370 nan 8.380 nan 0.000 0.475 7 F N -1.161 118.808 119.950 0.031 0.000 2.842 7 F HA 0.449 4.974 4.527 -0.003 0.000 0.319 7 F C -1.126 174.701 175.800 0.045 0.000 1.159 7 F CA -1.220 56.825 58.000 0.075 0.000 0.902 7 F CB 0.684 39.797 39.000 0.187 0.000 1.311 7 F HN 0.106 nan 8.300 nan 0.000 0.453 8 N N 0.205 119.121 118.700 0.360 0.000 2.319 8 N HA 0.186 4.924 4.740 -0.003 0.000 0.305 8 N C 0.072 175.730 175.510 0.248 0.000 1.103 8 N CA -0.641 52.548 53.050 0.231 0.000 0.815 8 N CB 1.929 40.518 38.487 0.170 0.000 1.288 8 N HN 0.834 nan 8.380 nan 0.000 0.493 9 Y N 2.300 122.630 120.300 0.051 0.000 2.102 9 Y HA -0.215 4.333 4.550 -0.003 0.000 0.280 9 Y C 1.499 177.561 175.900 0.269 0.000 1.178 9 Y CA 1.957 60.121 58.100 0.106 0.000 1.146 9 Y CB -0.075 38.412 38.460 0.044 0.000 0.968 9 Y HN 0.526 nan 8.280 nan 0.000 0.504 10 N N 0.914 119.721 118.700 0.178 0.000 2.571 10 N HA -0.079 4.660 4.740 -0.003 0.000 0.189 10 N C -0.398 175.141 175.510 0.049 0.000 1.154 10 N CA 0.691 53.790 53.050 0.082 0.000 0.907 10 N CB -0.538 38.022 38.487 0.121 0.000 0.977 10 N HN 0.395 nan 8.380 nan 0.000 0.449 11 D N 1.481 121.940 120.400 0.099 0.000 2.400 11 D HA 0.111 4.749 4.640 -0.003 0.000 0.238 11 D C -2.073 174.225 176.300 -0.003 0.000 1.157 11 D CA -0.815 53.236 54.000 0.085 0.000 0.889 11 D CB 0.269 41.172 40.800 0.173 0.000 1.199 11 D HN 0.070 nan 8.370 nan 0.000 0.436 12 P HA 0.151 nan 4.420 nan 0.000 0.272 12 P C -0.185 177.065 177.300 -0.084 0.000 1.223 12 P CA -0.201 62.871 63.100 -0.046 0.000 0.784 12 P CB 0.556 32.243 31.700 -0.021 0.000 0.923 13 I N 2.598 123.100 120.570 -0.112 0.000 2.496 13 I HA 0.037 4.205 4.170 -0.003 0.000 0.285 13 I C 0.774 176.841 176.117 -0.082 0.000 1.080 13 I CA 0.521 61.740 61.300 -0.135 0.000 1.404 13 I CB 0.516 38.430 38.000 -0.143 0.000 1.403 13 I HN 0.466 nan 8.210 nan 0.000 0.539 14 D N 3.692 124.052 120.400 -0.066 0.000 2.503 14 D HA 0.023 4.661 4.640 -0.003 0.000 0.218 14 D C 0.402 176.688 176.300 -0.023 0.000 1.183 14 D CA -0.328 53.653 54.000 -0.032 0.000 0.827 14 D CB 0.036 40.831 40.800 -0.008 0.000 1.034 14 D HN 0.460 nan 8.370 nan 0.000 0.510 15 N N 0.165 118.842 118.700 -0.037 0.000 2.732 15 N HA -0.268 4.470 4.740 -0.003 0.000 0.250 15 N C 0.312 175.836 175.510 0.023 0.000 1.097 15 N CA 1.239 54.274 53.050 -0.026 0.000 0.812 15 N CB -1.547 36.919 38.487 -0.036 0.000 1.148 15 N HN 0.609 nan 8.380 nan 0.000 0.572 16 N N -0.234 118.498 118.700 0.053 0.000 2.905 16 N HA 0.130 4.868 4.740 -0.003 0.000 0.237 16 N C 0.358 175.971 175.510 0.172 0.000 1.017 16 N CA 0.018 53.126 53.050 0.096 0.000 1.127 16 N CB 0.326 38.847 38.487 0.056 0.000 1.608 16 N HN 0.045 nan 8.380 nan 0.000 0.522 17 N N 0.239 119.003 118.700 0.106 0.000 2.220 17 N HA 0.311 5.049 4.740 -0.003 0.000 0.195 17 N C -0.577 174.956 175.510 0.038 0.000 1.123 17 N CA 0.192 53.279 53.050 0.063 0.000 0.874 17 N CB 1.821 40.341 38.487 0.056 0.000 0.995 17 N HN 0.290 nan 8.380 nan 0.000 0.498 18 I N 2.259 122.829 120.570 0.000 0.000 2.497 18 I HA 0.383 4.551 4.170 -0.003 0.000 0.284 18 I C -0.559 175.459 176.117 -0.164 0.000 1.060 18 I CA -0.666 60.494 61.300 -0.234 0.000 1.071 18 I CB 1.679 39.475 38.000 -0.340 0.000 1.216 18 I HN -0.146 nan 8.210 nan 0.000 0.442 19 I N 2.113 122.578 120.570 -0.175 0.000 3.343 19 I HA 0.622 4.791 4.170 -0.003 0.000 0.315 19 I C -1.196 174.808 176.117 -0.190 0.000 1.153 19 I CA -1.132 60.065 61.300 -0.172 0.000 0.952 19 I CB 2.441 40.328 38.000 -0.188 0.000 1.287 19 I HN 0.244 nan 8.210 nan 0.000 0.472 20 M N 3.542 123.065 119.600 -0.128 0.000 2.060 20 M HA 0.432 4.910 4.480 -0.003 0.000 0.342 20 M C -0.518 175.833 176.300 0.085 0.000 1.031 20 M CA -0.374 54.911 55.300 -0.026 0.000 0.981 20 M CB 0.688 33.234 32.600 -0.090 0.000 1.376 20 M HN 0.718 nan 8.290 nan 0.000 0.397 21 M N 2.023 121.654 119.600 0.052 0.000 2.291 21 M HA 0.263 4.741 4.480 -0.003 0.000 0.324 21 M C -0.236 176.140 176.300 0.127 0.000 1.148 21 M CA 0.080 55.378 55.300 -0.004 0.000 1.104 21 M CB 1.147 33.615 32.600 -0.219 0.000 1.483 21 M HN 0.628 nan 8.290 nan 0.000 0.467 22 E N 3.971 124.162 120.200 -0.015 0.000 2.255 22 E HA 0.431 4.779 4.350 -0.003 0.000 0.245 22 E C -2.482 174.054 176.600 -0.107 0.000 0.909 22 E CA -2.219 54.066 56.400 -0.191 0.000 0.747 22 E CB 0.989 30.529 29.700 -0.265 0.000 1.215 22 E HN 0.344 nan 8.360 nan 0.000 0.424 23 P HA -0.028 nan 4.420 nan 0.000 0.265 23 P C -2.226 174.939 177.300 -0.225 0.000 1.187 23 P CA -0.849 62.156 63.100 -0.157 0.000 0.766 23 P CB 0.425 32.027 31.700 -0.163 0.000 0.820 24 P HA -0.190 nan 4.420 nan 0.000 0.216 24 P C 0.978 178.199 177.300 -0.132 0.000 1.154 24 P CA 1.656 64.611 63.100 -0.241 0.000 0.865 24 P CB -0.312 31.140 31.700 -0.413 0.000 0.789 25 F N -1.492 118.221 119.950 -0.396 0.000 2.802 25 F HA 0.063 4.588 4.527 -0.003 0.000 0.300 25 F C 2.154 177.836 175.800 -0.196 0.000 1.168 25 F CA -0.099 57.676 58.000 -0.374 0.000 1.433 25 F CB -0.240 38.381 39.000 -0.631 0.000 1.115 25 F HN -0.063 nan 8.300 nan 0.000 0.582 26 A N 0.403 123.225 122.820 0.003 0.000 2.119 26 A HA -0.044 4.274 4.320 -0.003 0.000 0.217 26 A C 1.357 178.924 177.584 -0.030 0.000 1.153 26 A CA 0.181 52.271 52.037 0.089 0.000 0.692 26 A CB -0.360 18.665 19.000 0.043 0.000 0.799 26 A HN 0.399 nan 8.150 nan 0.000 0.458 27 R N -2.254 118.230 120.500 -0.027 0.000 3.422 27 R HA -0.214 4.124 4.340 -0.003 0.000 0.267 27 R C 0.983 176.993 176.300 -0.484 0.000 1.074 27 R CA 0.396 56.452 56.100 -0.074 0.000 0.718 27 R CB -2.416 27.871 30.300 -0.021 0.000 1.157 27 R HN 1.531 nan 8.270 nan 0.000 0.440 28 G N -0.788 107.491 108.800 -0.868 0.000 2.180 28 G HA2 -0.421 3.537 3.960 -0.003 0.000 0.263 28 G HA3 -0.421 3.537 3.960 -0.003 0.000 0.263 28 G C 0.269 174.758 174.900 -0.685 0.000 0.989 28 G CA 1.394 45.587 45.100 -1.513 0.000 0.692 28 G HN 0.831 nan 8.290 nan 0.000 0.526 29 T N -3.164 111.155 114.554 -0.390 0.000 0.000 29 T HA 0.898 5.247 4.350 -0.003 0.000 0.000 29 T C 0.966 175.580 174.700 -0.144 0.000 0.000 29 T CA 0.513 62.486 62.100 -0.212 0.000 0.000 29 T CB 2.011 70.797 68.868 -0.137 0.000 0.000 29 T HN 2.251 nan 8.240 nan 0.000 0.000 30 G N 1.386 110.143 108.800 -0.072 0.000 2.888 30 G HA2 -0.009 3.949 3.960 -0.003 0.000 0.441 30 G HA3 -0.009 3.949 3.960 -0.003 0.000 0.441 30 G C -0.193 174.684 174.900 -0.037 0.000 1.461 30 G CA -0.022 45.058 45.100 -0.033 0.000 0.897 30 G HN 1.306 nan 8.290 nan 0.000 0.547 31 R N -0.971 119.527 120.500 -0.004 0.000 2.893 31 R HA 0.565 4.903 4.340 -0.003 0.000 0.279 31 R C -0.055 176.255 176.300 0.016 0.000 1.076 31 R CA 0.057 56.188 56.100 0.051 0.000 1.203 31 R CB 0.008 30.279 30.300 -0.048 0.000 1.137 31 R HN 0.586 nan 8.270 nan 0.000 0.541 32 Y N -1.873 118.408 120.300 -0.032 0.000 2.568 32 Y HA 0.415 4.963 4.550 -0.003 0.000 0.327 32 Y C -0.621 175.278 175.900 -0.001 0.000 1.163 32 Y CA -0.872 57.277 58.100 0.081 0.000 1.219 32 Y CB 1.175 39.648 38.460 0.023 0.000 1.308 32 Y HN 0.391 nan 8.280 nan 0.000 0.503 33 Y N 0.158 120.555 120.300 0.162 0.000 2.376 33 Y HA 0.329 4.877 4.550 -0.003 0.000 0.340 33 Y C -0.022 175.912 175.900 0.056 0.000 0.965 33 Y CA -1.724 56.452 58.100 0.126 0.000 1.078 33 Y CB 1.538 40.095 38.460 0.162 0.000 1.193 33 Y HN 0.347 nan 8.280 nan 0.000 0.452 34 K N 2.567 123.061 120.400 0.157 0.000 2.402 34 K HA 0.558 4.877 4.320 -0.003 0.000 0.285 34 K C -0.695 175.908 176.600 0.005 0.000 1.054 34 K CA 0.059 56.327 56.287 -0.032 0.000 1.001 34 K CB 0.090 32.527 32.500 -0.106 0.000 0.946 34 K HN 0.811 nan 8.250 nan 0.000 0.473 35 A N 4.629 127.349 122.820 -0.166 0.000 2.365 35 A HA 0.670 4.988 4.320 -0.003 0.000 0.318 35 A C -1.445 176.079 177.584 -0.100 0.000 1.091 35 A CA -0.783 51.269 52.037 0.024 0.000 0.763 35 A CB 0.600 19.613 19.000 0.022 0.000 1.248 35 A HN 0.589 nan 8.150 nan 0.000 0.442 36 F N 0.956 120.962 119.950 0.093 0.000 2.458 36 F HA 0.450 4.976 4.527 -0.003 0.000 0.336 36 F C 0.645 176.318 175.800 -0.211 0.000 1.114 36 F CA -0.817 57.019 58.000 -0.273 0.000 0.987 36 F CB 2.053 40.512 39.000 -0.901 0.000 1.130 36 F HN 0.579 nan 8.300 nan 0.000 0.458 37 K N 4.589 124.767 120.400 -0.370 0.000 2.171 37 K HA 0.207 4.525 4.320 -0.003 0.000 0.274 37 K C 1.061 177.571 176.600 -0.150 0.000 1.110 37 K CA 0.027 55.830 56.287 -0.806 0.000 0.952 37 K CB 0.040 31.830 32.500 -1.184 0.000 1.309 37 K HN 0.942 nan 8.250 nan 0.000 0.414 38 I N 2.784 123.295 120.570 -0.098 0.000 2.394 38 I HA -0.178 3.990 4.170 -0.003 0.000 0.251 38 I C 0.457 176.454 176.117 -0.201 0.000 1.136 38 I CA 1.309 62.574 61.300 -0.058 0.000 1.425 38 I CB 0.272 38.049 38.000 -0.371 0.000 1.079 38 I HN 0.806 nan 8.210 nan 0.000 0.425 39 T N -3.448 110.959 114.554 -0.245 0.000 2.769 39 T HA 0.199 4.547 4.350 -0.003 0.000 0.306 39 T C -0.880 173.697 174.700 -0.205 0.000 1.400 39 T CA -0.985 61.016 62.100 -0.166 0.000 1.007 39 T CB 1.145 69.970 68.868 -0.072 0.000 1.392 39 T HN -0.108 nan 8.240 nan 0.000 0.500 40 D N 1.492 121.813 120.400 -0.131 0.000 2.548 40 D HA 0.118 4.756 4.640 -0.003 0.000 0.231 40 D C 0.942 177.184 176.300 -0.095 0.000 1.142 40 D CA 0.597 54.529 54.000 -0.114 0.000 0.866 40 D CB 0.331 41.096 40.800 -0.057 0.000 1.190 40 D HN 0.621 nan 8.370 nan 0.000 0.469 41 R N 0.402 120.866 120.500 -0.061 0.000 4.023 41 R HA -0.215 4.123 4.340 -0.003 0.000 0.368 41 R C -0.224 176.104 176.300 0.048 0.000 1.187 41 R CA 0.804 56.939 56.100 0.060 0.000 1.089 41 R CB -2.021 28.322 30.300 0.071 0.000 1.574 41 R HN 0.553 nan 8.270 nan 0.000 0.564 42 I N -0.067 120.406 120.570 -0.161 0.000 2.466 42 I HA 0.337 4.505 4.170 -0.003 0.000 0.289 42 I C -0.278 175.642 176.117 -0.329 0.000 1.026 42 I CA -0.688 60.560 61.300 -0.086 0.000 1.078 42 I CB 1.396 39.391 38.000 -0.008 0.000 1.249 42 I HN -0.128 nan 8.210 nan 0.000 0.429 43 W N 6.519 127.829 121.300 0.016 0.000 2.689 43 W HA 0.607 5.265 4.660 -0.003 0.000 0.340 43 W C -0.648 175.876 176.519 0.008 0.000 1.060 43 W CA -0.582 56.764 57.345 0.002 0.000 1.218 43 W CB 1.421 30.864 29.460 -0.028 0.000 1.410 43 W HN 0.041 nan 8.180 nan 0.000 0.528 44 I N 4.077 124.820 120.570 0.289 0.000 2.389 44 I HA 0.356 4.524 4.170 -0.003 0.000 0.288 44 I C -0.527 175.765 176.117 0.291 0.000 0.999 44 I CA -1.106 60.350 61.300 0.259 0.000 1.129 44 I CB 1.168 39.317 38.000 0.247 0.000 1.288 44 I HN 0.377 nan 8.210 nan 0.000 0.444 45 I N 8.395 129.038 120.570 0.121 0.000 2.388 45 I HA 0.212 4.380 4.170 -0.003 0.000 0.281 45 I C -1.862 174.333 176.117 0.131 0.000 1.046 45 I CA -1.568 59.785 61.300 0.089 0.000 1.187 45 I CB 1.791 39.596 38.000 -0.326 0.000 1.351 45 I HN 0.253 nan 8.210 nan 0.000 0.472 46 P HA 0.091 nan 4.420 nan 0.000 0.237 46 P C -0.504 176.676 177.300 -0.200 0.000 1.701 46 P CA 0.546 63.540 63.100 -0.176 0.000 0.955 46 P CB -0.026 31.702 31.700 0.048 0.000 1.937 47 E N 0.526 120.685 120.200 -0.068 0.000 2.433 47 E HA 0.368 4.716 4.350 -0.003 0.000 0.278 47 E C -0.240 176.455 176.600 0.159 0.000 0.976 47 E CA -1.179 55.262 56.400 0.068 0.000 0.793 47 E CB 1.572 31.449 29.700 0.294 0.000 1.311 47 E HN 0.055 nan 8.360 nan 0.000 0.460 48 R N 0.980 121.558 120.500 0.129 0.000 2.623 48 R HA 0.070 4.408 4.340 -0.003 0.000 0.271 48 R C -0.548 175.900 176.300 0.248 0.000 1.043 48 R CA 0.077 56.294 56.100 0.195 0.000 1.083 48 R CB -0.165 30.183 30.300 0.081 0.000 0.974 48 R HN 0.522 nan 8.270 nan 0.000 0.436 49 Y N 1.710 122.106 120.300 0.161 0.000 2.452 49 Y HA 0.015 4.564 4.550 -0.003 0.000 0.348 49 Y C 1.129 177.112 175.900 0.139 0.000 0.985 49 Y CA 0.341 58.472 58.100 0.051 0.000 1.214 49 Y CB 0.725 39.239 38.460 0.089 0.000 1.136 49 Y HN 0.680 nan 8.280 nan 0.000 0.523 50 T N 1.536 115.928 114.554 -0.270 0.000 3.010 50 T HA 0.209 4.558 4.350 -0.003 0.000 0.257 50 T C 0.049 174.711 174.700 -0.063 0.000 1.020 50 T CA -0.277 61.827 62.100 0.007 0.000 0.938 50 T CB -0.573 68.197 68.868 -0.164 0.000 1.049 50 T HN 0.347 nan 8.240 nan 0.000 0.522 51 F N 2.984 122.808 119.950 -0.209 0.000 2.519 51 F HA 0.436 4.961 4.527 -0.003 0.000 0.381 51 F C 1.769 177.538 175.800 -0.051 0.000 1.076 51 F CA 0.963 58.851 58.000 -0.188 0.000 1.095 51 F CB -0.366 38.411 39.000 -0.371 0.000 1.046 51 F HN 0.385 nan 8.300 nan 0.000 0.559 52 G N 2.023 110.829 108.800 0.011 0.000 2.176 52 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.232 52 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.232 52 G C -0.425 174.348 174.900 -0.211 0.000 0.986 52 G CA -0.633 44.334 45.100 -0.221 0.000 0.643 52 G HN 0.563 nan 8.290 nan 0.000 0.522 53 Y N 0.444 120.858 120.300 0.190 0.000 2.509 53 Y HA 0.649 5.197 4.550 -0.003 0.000 0.341 53 Y C 0.699 176.731 175.900 0.219 0.000 1.038 53 Y CA -0.993 57.244 58.100 0.228 0.000 1.089 53 Y CB 1.371 39.948 38.460 0.195 0.000 1.241 53 Y HN -0.027 nan 8.280 nan 0.000 0.468 54 K N 2.880 123.530 120.400 0.417 0.000 2.172 54 K HA 0.251 4.569 4.320 -0.003 0.000 0.276 54 K C -2.167 174.651 176.600 0.363 0.000 1.013 54 K CA -1.680 54.782 56.287 0.291 0.000 0.913 54 K CB 1.157 33.785 32.500 0.214 0.000 1.055 54 K HN 0.284 nan 8.250 nan 0.000 0.461 55 P HA -0.308 nan 4.420 nan 0.000 0.218 55 P C 1.019 178.487 177.300 0.280 0.000 1.152 55 P CA 1.429 64.661 63.100 0.221 0.000 0.857 55 P CB 0.194 31.937 31.700 0.071 0.000 0.787 56 E N -0.691 119.631 120.200 0.204 0.000 2.208 56 E HA -0.192 4.156 4.350 -0.003 0.000 0.193 56 E C 1.137 177.854 176.600 0.196 0.000 0.988 56 E CA 1.154 57.649 56.400 0.159 0.000 0.828 56 E CB -1.174 28.579 29.700 0.089 0.000 0.763 56 E HN 0.250 nan 8.360 nan 0.000 0.478 57 D N 0.557 121.114 120.400 0.262 0.000 2.265 57 D HA -0.129 4.509 4.640 -0.003 0.000 0.208 57 D C 1.360 177.789 176.300 0.216 0.000 0.977 57 D CA 0.720 54.874 54.000 0.257 0.000 0.871 57 D CB -0.384 40.685 40.800 0.448 0.000 0.925 57 D HN 0.242 nan 8.370 nan 0.000 0.485 58 F N 0.743 120.790 119.950 0.163 0.000 2.502 58 F HA -0.015 4.510 4.527 -0.002 0.000 0.298 58 F C 1.282 177.175 175.800 0.156 0.000 1.111 58 F CA 0.362 58.442 58.000 0.134 0.000 1.445 58 F CB -0.084 38.933 39.000 0.028 0.000 1.081 58 F HN -0.194 nan 8.300 nan 0.000 0.558 59 N N 0.862 119.677 118.700 0.191 0.000 2.508 59 N HA 0.050 4.788 4.740 -0.003 0.000 0.285 59 N C -0.057 175.317 175.510 -0.226 0.000 1.144 59 N CA -0.404 52.664 53.050 0.030 0.000 0.978 59 N CB 0.790 39.283 38.487 0.010 0.000 1.180 59 N HN -0.119 nan 8.380 nan 0.000 0.484 60 K N 1.214 121.424 120.400 -0.316 0.000 2.339 60 K HA 0.124 4.442 4.320 -0.003 0.000 0.286 60 K C -0.141 176.238 176.600 -0.369 0.000 1.050 60 K CA 0.091 56.006 56.287 -0.620 0.000 0.956 60 K CB 0.262 32.605 32.500 -0.262 0.000 0.990 60 K HN 0.791 nan 8.250 nan 0.000 0.475 61 S N 1.141 116.589 115.700 -0.419 0.000 2.900 61 S HA 0.250 4.718 4.470 -0.003 0.000 0.320 61 S C 0.350 174.839 174.600 -0.185 0.000 1.130 61 S CA -0.391 57.670 58.200 -0.232 0.000 0.863 61 S CB 0.865 63.944 63.200 -0.202 0.000 1.295 61 S HN 0.494 nan 8.310 nan 0.000 0.596 62 S N -0.635 114.990 115.700 -0.125 0.000 2.685 62 S HA 0.497 4.965 4.470 -0.003 0.000 0.240 62 S C 0.611 175.159 174.600 -0.086 0.000 0.967 62 S CA -0.216 57.932 58.200 -0.087 0.000 1.009 62 S CB -0.999 62.165 63.200 -0.060 0.000 0.776 62 S HN 1.135 nan 8.310 nan 0.000 0.467 63 G N 0.954 109.672 108.800 -0.136 0.000 3.013 63 G HA2 0.779 4.738 3.960 -0.003 0.000 0.278 63 G HA3 0.779 4.738 3.960 -0.003 0.000 0.278 63 G C -1.080 173.735 174.900 -0.142 0.000 1.353 63 G CA -1.041 43.973 45.100 -0.144 0.000 1.043 63 G HN 0.653 nan 8.290 nan 0.000 0.523 64 I N -4.485 115.990 120.570 -0.158 0.000 2.908 64 I HA 0.560 4.728 4.170 -0.003 0.000 0.300 64 I C -0.618 175.404 176.117 -0.159 0.000 1.385 64 I CA -0.939 60.321 61.300 -0.067 0.000 1.004 64 I CB 1.564 39.592 38.000 0.048 0.000 1.309 64 I HN 0.411 nan 8.210 nan 0.000 0.449 65 F N 0.390 120.372 119.950 0.052 0.000 2.437 65 F HA 0.296 4.821 4.527 -0.003 0.000 0.288 65 F C 1.132 176.912 175.800 -0.033 0.000 1.085 65 F CA 0.553 58.562 58.000 0.016 0.000 1.430 65 F CB 0.361 39.369 39.000 0.013 0.000 1.120 65 F HN 0.572 nan 8.300 nan 0.000 0.556 66 N N 0.316 119.106 118.700 0.149 0.000 2.372 66 N HA 0.193 4.931 4.740 -0.003 0.000 0.285 66 N C 0.309 175.817 175.510 -0.003 0.000 1.008 66 N CA -0.241 52.836 53.050 0.045 0.000 0.880 66 N CB 1.440 39.947 38.487 0.033 0.000 1.239 66 N HN 0.061 nan 8.380 nan 0.000 0.484 67 R N 1.151 121.599 120.500 -0.087 0.000 2.357 67 R HA 0.045 4.383 4.340 -0.003 0.000 0.202 67 R C -0.261 176.085 176.300 0.077 0.000 1.047 67 R CA 0.782 56.813 56.100 -0.116 0.000 1.034 67 R CB 0.319 30.416 30.300 -0.338 0.000 0.875 67 R HN 0.495 nan 8.270 nan 0.000 0.473 68 D N -0.106 120.320 120.400 0.042 0.000 2.650 68 D HA 0.136 4.774 4.640 -0.003 0.000 0.265 68 D C -1.009 175.296 176.300 0.008 0.000 1.339 68 D CA 0.187 54.209 54.000 0.036 0.000 0.816 68 D CB 1.247 42.042 40.800 -0.008 0.000 1.091 68 D HN -0.139 nan 8.370 nan 0.000 0.483 69 V N 1.062 120.996 119.914 0.032 0.000 2.686 69 V HA 0.139 4.257 4.120 -0.003 0.000 0.306 69 V C -0.008 176.120 176.094 0.057 0.000 1.065 69 V CA -1.004 61.309 62.300 0.021 0.000 0.894 69 V CB 2.460 34.282 31.823 -0.001 0.000 1.004 69 V HN 0.179 nan 8.190 nan 0.000 0.424 70 C N 5.413 124.745 119.300 0.053 0.000 2.428 70 C HA 0.289 4.747 4.460 -0.003 0.000 0.362 70 C C 0.792 175.838 174.990 0.094 0.000 1.114 70 C CA -0.468 58.598 59.018 0.081 0.000 1.473 70 C CB -1.653 26.127 27.740 0.066 0.000 2.003 70 C HN 0.890 nan 8.230 nan 0.000 0.526 71 E N 4.156 124.432 120.200 0.127 0.000 2.290 71 E HA 0.121 4.470 4.350 -0.003 0.000 0.277 71 E C -0.917 175.794 176.600 0.184 0.000 1.035 71 E CA 0.022 56.485 56.400 0.105 0.000 0.873 71 E CB 0.864 30.652 29.700 0.147 0.000 1.029 71 E HN 0.717 nan 8.360 nan 0.000 0.419 72 Y N 3.464 123.684 120.300 -0.133 0.000 2.342 72 Y HA 0.281 4.829 4.550 -0.003 0.000 0.334 72 Y C -1.407 174.297 175.900 -0.326 0.000 1.067 72 Y CA -1.014 57.023 58.100 -0.105 0.000 1.128 72 Y CB 0.581 38.948 38.460 -0.155 0.000 1.200 72 Y HN 0.383 nan 8.280 nan 0.000 0.464 73 Y N 3.436 123.264 120.300 -0.786 0.000 2.446 73 Y HA 0.468 5.016 4.550 -0.003 0.000 0.345 73 Y C -0.743 174.563 175.900 -0.989 0.000 0.984 73 Y CA -1.165 56.523 58.100 -0.687 0.000 1.058 73 Y CB 2.031 40.294 38.460 -0.329 0.000 1.220 73 Y HN 0.595 nan 8.280 nan 0.000 0.455 74 D N 2.921 123.017 120.400 -0.505 0.000 2.349 74 D HA 0.146 4.784 4.640 -0.003 0.000 0.224 74 D C -2.479 173.753 176.300 -0.114 0.000 1.323 74 D CA -1.157 52.604 54.000 -0.397 0.000 0.917 74 D CB 1.300 41.818 40.800 -0.471 0.000 1.524 74 D HN 0.179 nan 8.370 nan 0.000 0.505 75 P HA 0.024 nan 4.420 nan 0.000 0.239 75 P C 0.152 177.464 177.300 0.021 0.000 1.184 75 P CA 0.472 63.617 63.100 0.076 0.000 0.760 75 P CB 0.542 32.290 31.700 0.081 0.000 0.884 76 D N -1.622 118.790 120.400 0.020 0.000 2.346 76 D HA -0.037 4.601 4.640 -0.003 0.000 0.206 76 D C 0.625 176.961 176.300 0.059 0.000 1.001 76 D CA -0.077 53.937 54.000 0.022 0.000 0.871 76 D CB -0.652 40.161 40.800 0.022 0.000 0.943 76 D HN 0.200 nan 8.370 nan 0.000 0.518 77 Y N 2.003 122.291 120.300 -0.020 0.000 2.810 77 Y HA -0.048 4.501 4.550 -0.002 0.000 0.332 77 Y C 1.089 176.988 175.900 -0.003 0.000 1.243 77 Y CA 0.201 58.314 58.100 0.021 0.000 1.537 77 Y CB 0.099 38.570 38.460 0.017 0.000 1.265 77 Y HN -0.037 nan 8.280 nan 0.000 0.572 78 L N 4.125 125.084 121.223 -0.440 0.000 3.717 78 L HA -0.360 3.978 4.340 -0.003 0.000 0.411 78 L C 0.483 177.237 176.870 -0.193 0.000 1.233 78 L CA 0.817 55.447 54.840 -0.350 0.000 0.917 78 L CB -1.415 40.446 42.059 -0.330 0.000 1.902 78 L HN 0.827 nan 8.230 nan 0.000 0.894 79 N N -0.662 117.953 118.700 -0.141 0.000 2.235 79 N HA 0.071 4.810 4.740 -0.003 0.000 0.209 79 N C 0.249 175.701 175.510 -0.096 0.000 1.122 79 N CA 0.581 53.568 53.050 -0.104 0.000 0.845 79 N CB 0.491 38.935 38.487 -0.071 0.000 1.004 79 N HN 0.528 nan 8.380 nan 0.000 0.499 80 T N -3.782 110.699 114.554 -0.121 0.000 2.900 80 T HA 0.379 4.727 4.350 -0.003 0.000 0.303 80 T C 0.357 174.963 174.700 -0.157 0.000 1.142 80 T CA -0.702 61.339 62.100 -0.099 0.000 1.007 80 T CB 1.356 70.186 68.868 -0.063 0.000 1.156 80 T HN -0.236 nan 8.240 nan 0.000 0.490 81 N N 0.909 119.541 118.700 -0.114 0.000 2.104 81 N HA -0.099 4.639 4.740 -0.003 0.000 0.190 81 N C 1.363 176.783 175.510 -0.150 0.000 1.024 81 N CA 1.719 54.675 53.050 -0.156 0.000 0.853 81 N CB -0.415 38.119 38.487 0.078 0.000 1.008 81 N HN 0.857 nan 8.380 nan 0.000 0.424 82 D N 0.220 120.583 120.400 -0.063 0.000 2.144 82 D HA -0.070 4.568 4.640 -0.003 0.000 0.199 82 D C 1.489 177.747 176.300 -0.069 0.000 0.984 82 D CA 1.122 55.101 54.000 -0.035 0.000 0.834 82 D CB 0.151 40.945 40.800 -0.009 0.000 0.955 82 D HN 0.199 nan 8.370 nan 0.000 0.465 83 K N -0.101 120.231 120.400 -0.114 0.000 2.097 83 K HA -0.078 4.241 4.320 -0.003 0.000 0.205 83 K C 2.166 178.671 176.600 -0.158 0.000 1.050 83 K CA 0.877 57.081 56.287 -0.138 0.000 0.938 83 K CB 0.079 32.466 32.500 -0.189 0.000 0.718 83 K HN 0.092 nan 8.250 nan 0.000 0.442 84 K N 0.816 121.053 120.400 -0.271 0.000 2.026 84 K HA -0.149 4.170 4.320 -0.003 0.000 0.208 84 K C 1.990 178.498 176.600 -0.154 0.000 1.048 84 K CA 1.362 57.438 56.287 -0.352 0.000 0.929 84 K CB -0.223 31.727 32.500 -0.916 0.000 0.713 84 K HN 0.220 nan 8.250 nan 0.000 0.439 85 N N 1.051 119.672 118.700 -0.131 0.000 2.149 85 N HA -0.167 4.571 4.740 -0.003 0.000 0.188 85 N C 1.851 177.390 175.510 0.048 0.000 1.019 85 N CA 0.903 53.970 53.050 0.029 0.000 0.857 85 N CB 0.019 38.555 38.487 0.081 0.000 0.997 85 N HN 0.121 nan 8.380 nan 0.000 0.426 86 I N 0.177 120.767 120.570 0.035 0.000 2.286 86 I HA -0.260 3.908 4.170 -0.003 0.000 0.248 86 I C 2.099 178.267 176.117 0.085 0.000 1.115 86 I CA 0.894 62.223 61.300 0.048 0.000 1.392 86 I CB -0.397 37.621 38.000 0.031 0.000 1.065 86 I HN 0.161 nan 8.210 nan 0.000 0.418 87 F N 1.523 121.454 119.950 -0.031 0.000 2.095 87 F HA -0.247 4.278 4.527 -0.003 0.000 0.298 87 F C 2.293 178.129 175.800 0.060 0.000 1.104 87 F CA 1.693 59.714 58.000 0.035 0.000 1.232 87 F CB -0.247 38.758 39.000 0.008 0.000 0.987 87 F HN -0.127 nan 8.300 nan 0.000 0.475 88 L N -0.085 121.260 121.223 0.203 0.000 1.989 88 L HA -0.289 4.049 4.340 -0.003 0.000 0.211 88 L C 2.647 179.539 176.870 0.037 0.000 1.071 88 L CA 1.360 56.256 54.840 0.093 0.000 0.749 88 L CB -0.721 41.332 42.059 -0.010 0.000 0.890 88 L HN 0.170 nan 8.230 nan 0.000 0.431 89 Q N -0.838 118.983 119.800 0.034 0.000 2.226 89 Q HA -0.155 4.183 4.340 -0.003 0.000 0.204 89 Q C 2.135 178.139 176.000 0.007 0.000 0.975 89 Q CA 1.895 57.708 55.803 0.018 0.000 0.866 89 Q CB -0.830 27.924 28.738 0.026 0.000 0.915 89 Q HN 0.518 nan 8.270 nan 0.000 0.440 90 T N 1.023 115.567 114.554 -0.016 0.000 2.770 90 T HA -0.042 4.307 4.350 -0.003 0.000 0.263 90 T C 1.834 176.527 174.700 -0.011 0.000 1.039 90 T CA 0.904 62.991 62.100 -0.023 0.000 1.142 90 T CB -0.028 68.802 68.868 -0.063 0.000 0.868 90 T HN 0.107 nan 8.240 nan 0.000 0.435 91 M N 0.961 120.514 119.600 -0.078 0.000 2.106 91 M HA 0.002 4.480 4.480 -0.003 0.000 0.259 91 M C 2.304 178.665 176.300 0.101 0.000 1.068 91 M CA 1.345 56.649 55.300 0.007 0.000 1.100 91 M CB -1.346 31.219 32.600 -0.059 0.000 1.351 91 M HN 0.269 nan 8.290 nan 0.000 0.404 92 I N -0.357 120.224 120.570 0.018 0.000 2.226 92 I HA -0.324 3.845 4.170 -0.003 0.000 0.245 92 I C 2.581 178.740 176.117 0.069 0.000 1.100 92 I CA 1.279 62.577 61.300 -0.002 0.000 1.374 92 I CB -0.459 37.499 38.000 -0.071 0.000 1.057 92 I HN 0.343 nan 8.210 nan 0.000 0.413 93 K N 1.265 121.707 120.400 0.071 0.000 2.057 93 K HA -0.149 4.169 4.320 -0.003 0.000 0.207 93 K C 2.163 178.848 176.600 0.142 0.000 1.049 93 K CA 1.213 57.557 56.287 0.095 0.000 0.931 93 K CB 0.002 32.566 32.500 0.106 0.000 0.714 93 K HN 0.255 nan 8.250 nan 0.000 0.440 94 L N -0.165 121.156 121.223 0.164 0.000 2.017 94 L HA -0.160 4.178 4.340 -0.003 0.000 0.208 94 L C 2.317 179.255 176.870 0.114 0.000 1.073 94 L CA 1.173 56.103 54.840 0.151 0.000 0.745 94 L CB -0.524 41.605 42.059 0.117 0.000 0.894 94 L HN 0.131 nan 8.230 nan 0.000 0.432 95 F N 0.678 120.613 119.950 -0.026 0.000 2.126 95 F HA -0.226 4.300 4.527 -0.003 0.000 0.299 95 F C 2.572 178.366 175.800 -0.011 0.000 1.096 95 F CA 1.366 59.346 58.000 -0.033 0.000 1.255 95 F CB -0.580 38.395 39.000 -0.042 0.000 0.997 95 F HN 0.155 nan 8.300 nan 0.000 0.479 96 N N 0.013 118.817 118.700 0.173 0.000 2.120 96 N HA -0.190 4.548 4.740 -0.003 0.000 0.188 96 N C 2.091 177.643 175.510 0.071 0.000 1.024 96 N CA 1.054 54.160 53.050 0.093 0.000 0.852 96 N CB -0.376 38.145 38.487 0.056 0.000 1.003 96 N HN 0.271 nan 8.380 nan 0.000 0.424 97 R N 0.975 121.520 120.500 0.075 0.000 2.096 97 R HA 0.016 4.355 4.340 -0.003 0.000 0.235 97 R C 2.232 178.613 176.300 0.136 0.000 1.127 97 R CA 0.867 57.013 56.100 0.076 0.000 0.968 97 R CB -0.203 30.141 30.300 0.073 0.000 0.861 97 R HN 0.153 nan 8.270 nan 0.000 0.440 98 I N 1.646 122.252 120.570 0.059 0.000 2.179 98 I HA -0.301 3.867 4.170 -0.003 0.000 0.242 98 I C 2.212 178.404 176.117 0.125 0.000 1.088 98 I CA 1.795 63.109 61.300 0.024 0.000 1.357 98 I CB -0.271 37.612 38.000 -0.195 0.000 1.051 98 I HN 0.288 nan 8.210 nan 0.000 0.409 99 K N 0.928 121.372 120.400 0.074 0.000 2.486 99 K HA -0.019 4.299 4.320 -0.003 0.000 0.194 99 K C 1.804 178.442 176.600 0.064 0.000 1.033 99 K CA 1.164 57.495 56.287 0.073 0.000 1.004 99 K CB -0.261 32.272 32.500 0.056 0.000 0.798 99 K HN 0.282 nan 8.250 nan 0.000 0.495 100 S N 0.294 116.035 115.700 0.068 0.000 2.537 100 S HA -0.060 4.408 4.470 -0.003 0.000 0.240 100 S C 0.261 174.826 174.600 -0.057 0.000 0.981 100 S CA 0.261 58.465 58.200 0.007 0.000 0.948 100 S CB -0.256 62.944 63.200 -0.000 0.000 0.759 100 S HN 0.321 nan 8.310 nan 0.000 0.531 101 K N 0.442 120.816 120.400 -0.044 0.000 2.469 101 K HA 0.380 4.699 4.320 -0.003 0.000 0.254 101 K C -2.505 174.091 176.600 -0.005 0.000 0.939 101 K CA -2.487 53.714 56.287 -0.144 0.000 0.812 101 K CB 2.027 34.200 32.500 -0.546 0.000 1.301 101 K HN -0.252 nan 8.250 nan 0.000 0.433 102 P HA -0.254 nan 4.420 nan 0.000 0.216 102 P C 1.277 178.628 177.300 0.085 0.000 1.167 102 P CA 1.029 64.144 63.100 0.025 0.000 0.914 102 P CB 0.189 31.889 31.700 0.000 0.000 0.793 103 L N -0.540 120.745 121.223 0.103 0.000 2.051 103 L HA -0.142 4.196 4.340 -0.003 0.000 0.214 103 L C 2.191 179.222 176.870 0.268 0.000 1.076 103 L CA 2.582 57.527 54.840 0.175 0.000 0.758 103 L CB -1.582 40.590 42.059 0.188 0.000 0.890 103 L HN -0.014 nan 8.230 nan 0.000 0.433 104 G N -1.659 107.322 108.800 0.300 0.000 2.394 104 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.215 104 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.215 104 G C 1.482 176.441 174.900 0.098 0.000 1.165 104 G CA 0.600 45.824 45.100 0.206 0.000 0.784 104 G HN 0.525 nan 8.290 nan 0.000 0.535 105 E N 0.474 120.735 120.200 0.101 0.000 2.051 105 E HA -0.138 4.210 4.350 -0.003 0.000 0.192 105 E C 2.378 179.008 176.600 0.050 0.000 0.991 105 E CA 1.117 57.551 56.400 0.057 0.000 0.799 105 E CB -0.069 29.661 29.700 0.050 0.000 0.748 105 E HN 0.352 nan 8.360 nan 0.000 0.449 106 K N 0.142 120.601 120.400 0.098 0.000 2.057 106 K HA -0.176 4.143 4.320 -0.003 0.000 0.207 106 K C 2.261 178.877 176.600 0.027 0.000 1.049 106 K CA 1.087 57.444 56.287 0.116 0.000 0.931 106 K CB -0.241 32.392 32.500 0.223 0.000 0.714 106 K HN 0.153 nan 8.250 nan 0.000 0.440 107 L N 1.597 122.824 121.223 0.006 0.000 2.012 107 L HA -0.165 4.174 4.340 -0.003 0.000 0.210 107 L C 1.884 178.583 176.870 -0.285 0.000 1.073 107 L CA 1.571 56.165 54.840 -0.411 0.000 0.748 107 L CB -0.424 41.462 42.059 -0.287 0.000 0.891 107 L HN 0.128 nan 8.230 nan 0.000 0.431 108 L N -0.713 120.424 121.223 -0.143 0.000 2.046 108 L HA -0.205 4.133 4.340 -0.003 0.000 0.208 108 L C 2.561 179.399 176.870 -0.053 0.000 1.077 108 L CA 1.567 56.352 54.840 -0.091 0.000 0.747 108 L CB -0.546 41.491 42.059 -0.036 0.000 0.896 108 L HN 0.359 nan 8.230 nan 0.000 0.432 109 E N -0.555 119.622 120.200 -0.038 0.000 2.110 109 E HA -0.226 4.122 4.350 -0.003 0.000 0.193 109 E C 2.304 178.886 176.600 -0.029 0.000 0.988 109 E CA 1.079 57.466 56.400 -0.021 0.000 0.804 109 E CB -0.033 29.666 29.700 -0.002 0.000 0.745 109 E HN 0.373 nan 8.360 nan 0.000 0.458 110 M N 0.209 119.768 119.600 -0.068 0.000 2.117 110 M HA -0.124 4.354 4.480 -0.003 0.000 0.262 110 M C 2.355 178.675 176.300 0.032 0.000 1.065 110 M CA 1.333 56.607 55.300 -0.044 0.000 1.114 110 M CB -0.639 31.819 32.600 -0.237 0.000 1.361 110 M HN 0.170 nan 8.290 nan 0.000 0.408 111 I N -0.112 120.431 120.570 -0.045 0.000 2.252 111 I HA -0.294 3.874 4.170 -0.003 0.000 0.245 111 I C 2.348 178.469 176.117 0.008 0.000 1.102 111 I CA 1.134 62.431 61.300 -0.004 0.000 1.385 111 I CB -0.307 37.662 38.000 -0.052 0.000 1.064 111 I HN 0.184 nan 8.210 nan 0.000 0.414 112 I N 0.887 121.455 120.570 -0.004 0.000 2.226 112 I HA -0.296 3.873 4.170 -0.003 0.000 0.245 112 I C 1.913 178.009 176.117 -0.035 0.000 1.100 112 I CA 1.383 62.678 61.300 -0.007 0.000 1.374 112 I CB -0.440 37.555 38.000 -0.009 0.000 1.057 112 I HN 0.319 nan 8.210 nan 0.000 0.413 113 N N 0.829 119.503 118.700 -0.044 0.000 2.463 113 N HA -0.009 4.729 4.740 -0.003 0.000 0.181 113 N C 1.255 176.677 175.510 -0.146 0.000 1.078 113 N CA 0.577 53.575 53.050 -0.087 0.000 0.902 113 N CB 0.049 38.496 38.487 -0.067 0.000 0.970 113 N HN 0.275 nan 8.380 nan 0.000 0.451 114 G N 2.122 110.838 108.800 -0.141 0.000 3.541 114 G HA2 0.256 4.214 3.960 -0.003 0.000 0.253 114 G HA3 0.256 4.214 3.960 -0.003 0.000 0.253 114 G C 0.601 175.335 174.900 -0.278 0.000 1.017 114 G CA -0.467 44.397 45.100 -0.394 0.000 1.832 114 G HN 0.278 nan 8.290 nan 0.000 0.649 115 I N -1.519 118.942 120.570 -0.183 0.000 2.710 115 I HA 0.290 4.459 4.170 -0.003 0.000 0.286 115 I C -2.374 173.759 176.117 0.025 0.000 1.181 115 I CA -1.905 59.352 61.300 -0.073 0.000 1.430 115 I CB 0.528 38.455 38.000 -0.122 0.000 1.367 115 I HN -0.071 nan 8.210 nan 0.000 0.577 116 P HA 0.003 nan 4.420 nan 0.000 0.268 116 P C -0.878 176.537 177.300 0.190 0.000 1.205 116 P CA 0.191 63.363 63.100 0.120 0.000 0.771 116 P CB 0.246 32.018 31.700 0.121 0.000 0.858 117 Y N 3.034 123.332 120.300 -0.003 0.000 2.511 117 Y HA 0.031 4.579 4.550 -0.003 0.000 0.347 117 Y C 0.383 176.270 175.900 -0.022 0.000 1.257 117 Y CA 0.208 58.138 58.100 -0.284 0.000 1.469 117 Y CB 0.193 38.512 38.460 -0.236 0.000 1.353 117 Y HN 0.162 nan 8.280 nan 0.000 0.617 118 L N 6.299 127.177 121.223 -0.576 0.000 2.387 118 L HA 0.413 4.751 4.340 -0.003 0.000 0.267 118 L C 0.568 177.441 176.870 0.004 0.000 1.197 118 L CA 0.280 54.913 54.840 -0.346 0.000 1.070 118 L CB -1.267 40.348 42.059 -0.739 0.000 1.349 118 L HN 0.933 nan 8.230 nan 0.000 0.422 119 G N 2.037 110.930 108.800 0.154 0.000 2.353 119 G HA2 0.140 4.099 3.960 -0.003 0.000 0.424 119 G HA3 0.140 4.099 3.960 -0.003 0.000 0.424 119 G C -1.850 172.997 174.900 -0.088 0.000 1.320 119 G CA -0.364 44.817 45.100 0.135 0.000 0.995 119 G HN 0.554 nan 8.290 nan 0.000 0.580 120 D N -2.466 117.680 120.400 -0.423 0.000 2.867 120 D HA 0.466 5.104 4.640 -0.003 0.000 0.308 120 D C 1.661 177.391 176.300 -0.950 0.000 1.202 120 D CA -0.059 53.189 54.000 -1.254 0.000 1.035 120 D CB 0.060 40.439 40.800 -0.702 0.000 1.427 120 D HN 0.787 nan 8.370 nan 0.000 0.570 121 R N 0.073 120.082 120.500 -0.819 0.000 2.154 121 R HA -0.160 4.178 4.340 -0.003 0.000 0.248 121 R C 1.488 177.704 176.300 -0.140 0.000 1.155 121 R CA 1.284 57.264 56.100 -0.199 0.000 0.979 121 R CB -0.550 29.652 30.300 -0.162 0.000 0.869 121 R HN 0.310 nan 8.270 nan 0.000 0.452 122 R N 0.956 121.350 120.500 -0.176 0.000 2.189 122 R HA 0.100 4.438 4.340 -0.003 0.000 0.218 122 R C 0.264 176.527 176.300 -0.061 0.000 1.074 122 R CA 0.535 56.573 56.100 -0.104 0.000 0.991 122 R CB 0.121 30.362 30.300 -0.098 0.000 0.883 122 R HN 0.015 nan 8.270 nan 0.000 0.457 123 V N 3.257 123.137 119.914 -0.057 0.000 2.555 123 V HA 0.123 4.241 4.120 -0.003 0.000 0.286 123 V C -2.027 174.091 176.094 0.039 0.000 1.044 123 V CA -1.832 60.474 62.300 0.009 0.000 1.026 123 V CB 1.009 32.868 31.823 0.061 0.000 0.981 123 V HN -0.001 nan 8.190 nan 0.000 0.480 124 P HA 0.110 nan 4.420 nan 0.000 0.266 124 P C 1.114 178.435 177.300 0.035 0.000 1.195 124 P CA -0.048 63.065 63.100 0.021 0.000 0.768 124 P CB 0.459 32.163 31.700 0.007 0.000 0.838 125 L N 1.818 123.053 121.223 0.019 0.000 2.189 125 L HA -0.227 4.112 4.340 -0.003 0.000 0.214 125 L C 1.415 178.279 176.870 -0.008 0.000 1.097 125 L CA 1.790 56.638 54.840 0.014 0.000 0.764 125 L CB -0.749 41.303 42.059 -0.010 0.000 0.900 125 L HN 0.454 nan 8.230 nan 0.000 0.436 126 E N -0.583 119.601 120.200 -0.026 0.000 2.478 126 E HA 0.041 4.390 4.350 -0.003 0.000 0.194 126 E C 0.115 176.648 176.600 -0.110 0.000 1.045 126 E CA 0.209 56.570 56.400 -0.065 0.000 0.868 126 E CB 0.220 29.892 29.700 -0.046 0.000 0.885 126 E HN 0.514 nan 8.360 nan 0.000 0.505 127 E N -0.242 119.920 120.200 -0.063 0.000 2.249 127 E HA 0.420 4.769 4.350 -0.003 0.000 0.263 127 E C -0.754 175.857 176.600 0.019 0.000 0.950 127 E CA -0.687 55.682 56.400 -0.051 0.000 0.827 127 E CB 1.583 31.294 29.700 0.018 0.000 1.220 127 E HN -0.018 nan 8.360 nan 0.000 0.411 128 F N 1.560 121.518 119.950 0.014 0.000 2.477 128 F HA 0.288 4.813 4.527 -0.003 0.000 0.335 128 F C 0.165 175.941 175.800 -0.039 0.000 1.130 128 F CA -0.952 57.020 58.000 -0.047 0.000 0.948 128 F CB 1.534 40.456 39.000 -0.129 0.000 1.154 128 F HN 0.265 nan 8.300 nan 0.000 0.439 129 N N 2.153 120.957 118.700 0.174 0.000 2.483 129 N HA 0.119 4.857 4.740 -0.003 0.000 0.267 129 N C 0.425 175.964 175.510 0.050 0.000 0.998 129 N CA -0.259 52.839 53.050 0.081 0.000 0.918 129 N CB 1.637 40.156 38.487 0.053 0.000 1.215 129 N HN 0.661 nan 8.380 nan 0.000 0.500 130 T N -0.253 114.330 114.554 0.050 0.000 3.100 130 T HA 0.044 4.392 4.350 -0.003 0.000 0.253 130 T C 0.834 175.552 174.700 0.029 0.000 1.118 130 T CA 0.154 62.315 62.100 0.102 0.000 1.058 130 T CB -0.168 68.819 68.868 0.199 0.000 0.953 130 T HN 0.307 nan 8.240 nan 0.000 0.515 131 N N 2.316 121.005 118.700 -0.018 0.000 3.091 131 N HA 0.249 4.987 4.740 -0.003 0.000 0.301 131 N C -0.365 175.093 175.510 -0.087 0.000 1.325 131 N CA -0.671 52.333 53.050 -0.076 0.000 1.143 131 N CB -0.780 37.658 38.487 -0.082 0.000 1.450 131 N HN 0.765 nan 8.380 nan 0.000 0.542 132 I N -3.961 116.570 120.570 -0.064 0.000 2.769 132 I HA 0.583 4.752 4.170 -0.003 0.000 0.298 132 I C 0.638 176.724 176.117 -0.051 0.000 1.128 132 I CA -1.269 59.993 61.300 -0.062 0.000 1.031 132 I CB 1.716 39.690 38.000 -0.044 0.000 1.235 132 I HN -0.168 nan 8.210 nan 0.000 0.423 133 A N 3.014 125.807 122.820 -0.045 0.000 2.259 133 A HA -0.071 4.248 4.320 -0.003 0.000 0.212 133 A C 1.761 179.343 177.584 -0.003 0.000 1.178 133 A CA 1.635 53.660 52.037 -0.020 0.000 0.734 133 A CB -0.860 18.153 19.000 0.021 0.000 0.774 133 A HN 0.934 nan 8.150 nan 0.000 0.481 134 S N -2.315 113.392 115.700 0.012 0.000 2.540 134 S HA 0.266 4.734 4.470 -0.003 0.000 0.218 134 S C 0.977 175.622 174.600 0.074 0.000 0.977 134 S CA 0.602 58.826 58.200 0.041 0.000 0.918 134 S CB 0.370 63.597 63.200 0.046 0.000 0.806 134 S HN 0.179 nan 8.310 nan 0.000 0.496 135 V N 0.543 120.506 119.914 0.082 0.000 3.137 135 V HA 0.271 4.389 4.120 -0.003 0.000 0.236 135 V C 0.515 176.750 176.094 0.236 0.000 1.260 135 V CA 0.722 63.124 62.300 0.170 0.000 1.244 135 V CB 0.410 32.337 31.823 0.173 0.000 1.016 135 V HN 0.435 nan 8.190 nan 0.000 0.477 136 T N 0.712 115.319 114.554 0.087 0.000 2.856 136 T HA 0.705 5.053 4.350 -0.003 0.000 0.283 136 T C -1.119 173.545 174.700 -0.060 0.000 1.008 136 T CA -0.207 61.877 62.100 -0.026 0.000 0.997 136 T CB 2.679 71.469 68.868 -0.130 0.000 0.992 136 T HN 0.007 nan 8.240 nan 0.000 0.454 137 V N 2.825 122.684 119.914 -0.092 0.000 2.876 137 V HA 0.565 4.683 4.120 -0.003 0.000 0.312 137 V C -1.211 174.821 176.094 -0.104 0.000 1.085 137 V CA -0.906 61.340 62.300 -0.090 0.000 0.945 137 V CB 2.328 34.074 31.823 -0.127 0.000 1.017 137 V HN 0.829 nan 8.190 nan 0.000 0.428 138 N N 3.711 122.390 118.700 -0.034 0.000 2.489 138 N HA 0.562 5.301 4.740 -0.003 0.000 0.284 138 N C -1.116 174.394 175.510 -0.001 0.000 1.158 138 N CA -0.541 52.511 53.050 0.002 0.000 0.965 138 N CB 1.615 40.180 38.487 0.131 0.000 1.195 138 N HN 0.750 nan 8.380 nan 0.000 0.506 139 K N -0.293 120.107 120.400 0.000 0.000 2.443 139 K HA 0.411 4.729 4.320 -0.003 0.000 0.252 139 K C -1.192 175.400 176.600 -0.013 0.000 0.933 139 K CA -0.862 55.413 56.287 -0.019 0.000 0.792 139 K CB 1.565 33.989 32.500 -0.126 0.000 1.185 139 K HN 0.191 nan 8.250 nan 0.000 0.425 140 L N 4.485 125.659 121.223 -0.083 0.000 2.385 140 L HA 0.155 4.493 4.340 -0.003 0.000 0.281 140 L C 0.223 176.980 176.870 -0.188 0.000 1.106 140 L CA -0.107 54.569 54.840 -0.272 0.000 0.856 140 L CB 0.198 41.811 42.059 -0.744 0.000 1.186 140 L HN 0.855 nan 8.230 nan 0.000 0.453 141 I N 2.233 122.724 120.570 -0.132 0.000 2.585 141 I HA -0.003 4.165 4.170 -0.003 0.000 0.254 141 I C 1.481 177.536 176.117 -0.103 0.000 1.129 141 I CA 0.824 62.064 61.300 -0.100 0.000 1.455 141 I CB -0.498 37.461 38.000 -0.068 0.000 1.111 141 I HN 0.781 nan 8.210 nan 0.000 0.433 142 S N 1.050 116.682 115.700 -0.113 0.000 2.580 142 S HA 0.069 4.537 4.470 -0.003 0.000 0.261 142 S C 0.409 174.942 174.600 -0.112 0.000 1.366 142 S CA -0.606 57.533 58.200 -0.101 0.000 0.996 142 S CB 0.084 63.226 63.200 -0.097 0.000 0.902 142 S HN 0.231 nan 8.310 nan 0.000 0.566 143 N N 1.709 120.356 118.700 -0.088 0.000 2.326 143 N HA 0.364 5.102 4.740 -0.003 0.000 0.239 143 N C -2.659 172.793 175.510 -0.096 0.000 1.301 143 N CA -1.345 51.655 53.050 -0.083 0.000 0.909 143 N CB -0.692 37.759 38.487 -0.060 0.000 1.156 143 N HN 0.472 nan 8.380 nan 0.000 0.462 144 P HA 0.170 nan 4.420 nan 0.000 0.268 144 P C 0.386 177.644 177.300 -0.069 0.000 1.204 144 P CA 0.467 63.516 63.100 -0.085 0.000 0.768 144 P CB 0.535 32.195 31.700 -0.067 0.000 0.842 145 G N 1.175 109.934 108.800 -0.069 0.000 2.138 145 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.193 145 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.193 145 G C -0.428 174.441 174.900 -0.051 0.000 0.998 145 G CA 0.018 45.087 45.100 -0.051 0.000 0.668 145 G HN 0.729 nan 8.290 nan 0.000 0.516 146 E N -2.169 117.987 120.200 -0.073 0.000 2.552 146 E HA 0.357 4.705 4.350 -0.003 0.000 0.297 146 E C 0.038 176.575 176.600 -0.104 0.000 1.038 146 E CA -0.509 55.851 56.400 -0.065 0.000 0.856 146 E CB 0.833 30.502 29.700 -0.052 0.000 1.222 146 E HN 1.054 nan 8.360 nan 0.000 0.422 147 V N 0.018 119.887 119.914 -0.076 0.000 3.331 147 V HA 0.065 4.183 4.120 -0.003 0.000 0.332 147 V C 1.467 177.532 176.094 -0.049 0.000 1.341 147 V CA 1.026 63.270 62.300 -0.093 0.000 1.218 147 V CB -1.033 30.805 31.823 0.026 0.000 1.152 147 V HN 0.764 nan 8.190 nan 0.000 0.445 148 E N 1.878 122.047 120.200 -0.050 0.000 2.065 148 E HA -0.218 4.130 4.350 -0.003 0.000 0.201 148 E C 0.930 177.513 176.600 -0.027 0.000 1.016 148 E CA 1.294 57.675 56.400 -0.031 0.000 0.818 148 E CB -0.255 29.425 29.700 -0.035 0.000 0.749 148 E HN 0.703 nan 8.360 nan 0.000 0.453 149 R N 1.244 121.716 120.500 -0.048 0.000 2.494 149 R HA 0.426 4.764 4.340 -0.003 0.000 0.305 149 R C -0.750 175.522 176.300 -0.047 0.000 0.959 149 R CA -0.732 55.344 56.100 -0.040 0.000 0.864 149 R CB 1.684 31.957 30.300 -0.044 0.000 1.159 149 R HN 0.131 nan 8.270 nan 0.000 0.446 150 K N 1.614 122.003 120.400 -0.019 0.000 2.498 150 K HA 0.510 4.828 4.320 -0.003 0.000 0.254 150 K C -1.353 175.239 176.600 -0.014 0.000 0.933 150 K CA -1.196 55.088 56.287 -0.006 0.000 0.806 150 K CB 2.569 35.105 32.500 0.060 0.000 1.301 150 K HN 0.161 nan 8.250 nan 0.000 0.432 151 K N 0.576 120.958 120.400 -0.030 0.000 2.259 151 K HA 0.483 4.802 4.320 -0.003 0.000 0.249 151 K C -0.598 175.956 176.600 -0.077 0.000 0.942 151 K CA -0.382 55.873 56.287 -0.053 0.000 0.816 151 K CB 2.013 34.479 32.500 -0.056 0.000 1.155 151 K HN 0.828 nan 8.250 nan 0.000 0.428 152 G N 3.094 111.822 108.800 -0.119 0.000 2.400 152 G HA2 0.615 4.574 3.960 -0.003 0.000 0.301 152 G HA3 0.615 4.574 3.960 -0.003 0.000 0.301 152 G C -0.631 174.117 174.900 -0.254 0.000 1.154 152 G CA -0.625 44.367 45.100 -0.181 0.000 0.852 152 G HN 0.696 nan 8.290 nan 0.000 0.511 153 I N -1.650 118.756 120.570 -0.274 0.000 2.969 153 I HA 0.705 4.873 4.170 -0.003 0.000 0.307 153 I C -1.220 174.731 176.117 -0.275 0.000 1.149 153 I CA -1.461 59.678 61.300 -0.269 0.000 1.008 153 I CB 2.300 40.244 38.000 -0.093 0.000 1.232 153 I HN 0.330 nan 8.210 nan 0.000 0.435 154 F N 2.450 122.435 119.950 0.059 0.000 2.377 154 F HA 0.832 5.357 4.527 -0.003 0.000 0.328 154 F C 0.665 176.540 175.800 0.124 0.000 1.094 154 F CA -0.422 57.620 58.000 0.069 0.000 1.093 154 F CB 1.830 40.879 39.000 0.082 0.000 1.214 154 F HN 0.765 nan 8.300 nan 0.000 0.518 155 A N 1.841 124.858 122.820 0.328 0.000 2.604 155 A HA 0.511 4.829 4.320 -0.003 0.000 0.295 155 A C -0.725 176.992 177.584 0.221 0.000 1.067 155 A CA -0.780 51.437 52.037 0.300 0.000 0.683 155 A CB 1.310 20.462 19.000 0.255 0.000 1.281 155 A HN 0.668 nan 8.150 nan 0.000 0.407 156 N N -0.520 118.303 118.700 0.205 0.000 2.508 156 N HA 0.275 5.013 4.740 -0.003 0.000 0.186 156 N C -0.405 175.195 175.510 0.150 0.000 1.034 156 N CA 0.702 53.837 53.050 0.142 0.000 0.885 156 N CB 0.209 38.753 38.487 0.096 0.000 1.135 156 N HN 0.553 nan 8.380 nan 0.000 0.435 157 L N 0.836 122.171 121.223 0.186 0.000 2.436 157 L HA 0.574 4.912 4.340 -0.003 0.000 0.268 157 L C -1.700 175.312 176.870 0.236 0.000 0.974 157 L CA -0.523 54.429 54.840 0.187 0.000 0.826 157 L CB 1.657 43.816 42.059 0.166 0.000 1.291 157 L HN -0.028 nan 8.230 nan 0.000 0.406 158 I N 6.339 127.031 120.570 0.204 0.000 2.410 158 I HA 0.421 4.589 4.170 -0.003 0.000 0.286 158 I C -0.664 175.563 176.117 0.184 0.000 1.009 158 I CA -0.381 61.016 61.300 0.160 0.000 1.111 158 I CB 1.633 39.668 38.000 0.060 0.000 1.262 158 I HN 0.477 nan 8.210 nan 0.000 0.443 159 I N 6.352 127.023 120.570 0.169 0.000 2.312 159 I HA 0.345 4.513 4.170 -0.003 0.000 0.290 159 I C -0.344 175.943 176.117 0.283 0.000 1.008 159 I CA -0.268 61.208 61.300 0.292 0.000 1.226 159 I CB 0.733 38.922 38.000 0.316 0.000 1.371 159 I HN 0.360 nan 8.210 nan 0.000 0.468 160 F N 3.420 123.600 119.950 0.383 0.000 2.377 160 F HA 0.618 5.143 4.527 -0.003 0.000 0.335 160 F C 1.339 177.363 175.800 0.374 0.000 1.099 160 F CA -0.219 58.001 58.000 0.367 0.000 1.072 160 F CB 0.309 39.592 39.000 0.471 0.000 1.417 160 F HN 0.342 nan 8.300 nan 0.000 0.495 161 G N -0.383 108.658 108.800 0.402 0.000 2.525 161 G HA2 0.472 4.430 3.960 -0.003 0.000 0.287 161 G HA3 0.472 4.430 3.960 -0.003 0.000 0.287 161 G C -2.707 172.405 174.900 0.353 0.000 1.350 161 G CA -1.321 43.908 45.100 0.216 0.000 1.039 161 G HN 0.336 nan 8.290 nan 0.000 0.513 162 P HA 0.228 nan 4.420 nan 0.000 0.274 162 P C 0.399 177.743 177.300 0.074 0.000 1.237 162 P CA 0.017 63.171 63.100 0.091 0.000 0.793 162 P CB 1.337 32.989 31.700 -0.081 0.000 0.977 163 G N 1.190 109.910 108.800 -0.133 0.000 2.531 163 G HA2 0.260 4.218 3.960 -0.003 0.000 0.253 163 G HA3 0.260 4.218 3.960 -0.003 0.000 0.253 163 G C -1.689 172.775 174.900 -0.727 0.000 1.439 163 G CA -1.144 43.725 45.100 -0.384 0.000 1.056 163 G HN 0.232 nan 8.290 nan 0.000 0.555 164 P HA -0.103 nan 4.420 nan 0.000 0.216 164 P C 0.606 177.367 177.300 -0.898 0.000 1.167 164 P CA 0.877 63.229 63.100 -1.248 0.000 0.914 164 P CB -0.015 31.074 31.700 -1.018 0.000 0.793 165 V N 1.245 120.653 119.914 -0.842 0.000 2.389 165 V HA 0.022 4.140 4.120 -0.003 0.000 0.264 165 V C 1.804 177.589 176.094 -0.515 0.000 1.049 165 V CA 0.124 61.960 62.300 -0.773 0.000 0.932 165 V CB 0.251 31.764 31.823 -0.516 0.000 1.011 165 V HN 0.032 nan 8.190 nan 0.000 0.475 166 L N 4.001 124.932 121.223 -0.488 0.000 2.042 166 L HA -0.127 4.211 4.340 -0.003 0.000 0.210 166 L C 2.066 178.783 176.870 -0.256 0.000 1.076 166 L CA 1.470 56.075 54.840 -0.392 0.000 0.749 166 L CB -0.516 41.225 42.059 -0.530 0.000 0.893 166 L HN 0.886 nan 8.230 nan 0.000 0.432 167 N N 0.219 118.812 118.700 -0.179 0.000 2.362 167 N HA -0.097 4.641 4.740 -0.003 0.000 0.204 167 N C 0.233 175.675 175.510 -0.113 0.000 1.166 167 N CA 0.226 53.213 53.050 -0.106 0.000 0.831 167 N CB 0.021 38.488 38.487 -0.034 0.000 1.008 167 N HN 0.409 nan 8.380 nan 0.000 0.472 168 E N 1.039 121.143 120.200 -0.160 0.000 2.674 168 E HA 0.172 4.520 4.350 -0.003 0.000 0.240 168 E C -0.698 175.835 176.600 -0.113 0.000 1.213 168 E CA -0.550 55.766 56.400 -0.140 0.000 1.357 168 E CB 0.041 29.625 29.700 -0.195 0.000 1.467 168 E HN 0.232 nan 8.360 nan 0.000 0.448 169 N N 2.422 121.093 118.700 -0.048 0.000 2.454 169 N HA -0.001 4.737 4.740 -0.003 0.000 0.254 169 N C -0.198 175.348 175.510 0.061 0.000 1.228 169 N CA 0.737 53.813 53.050 0.043 0.000 0.900 169 N CB 0.967 39.544 38.487 0.150 0.000 1.089 169 N HN 0.452 nan 8.380 nan 0.000 0.449 170 E N 0.257 120.496 120.200 0.065 0.000 2.352 170 E HA 0.242 4.590 4.350 -0.003 0.000 0.280 170 E C -1.521 175.118 176.600 0.065 0.000 0.930 170 E CA -0.558 55.868 56.400 0.042 0.000 0.765 170 E CB 1.424 31.090 29.700 -0.057 0.000 1.219 170 E HN 0.300 nan 8.360 nan 0.000 0.434 171 T N 4.192 118.789 114.554 0.072 0.000 2.767 171 T HA 0.493 4.841 4.350 -0.003 0.000 0.284 171 T C -0.150 174.578 174.700 0.046 0.000 0.973 171 T CA -0.314 61.839 62.100 0.087 0.000 0.996 171 T CB 0.208 69.158 68.868 0.135 0.000 0.927 171 T HN 0.290 nan 8.240 nan 0.000 0.456 172 I N 3.993 124.621 120.570 0.097 0.000 2.493 172 I HA 0.421 4.589 4.170 -0.003 0.000 0.298 172 I C -0.188 176.036 176.117 0.179 0.000 0.998 172 I CA -1.046 60.344 61.300 0.150 0.000 1.137 172 I CB 1.786 39.934 38.000 0.245 0.000 1.310 172 I HN 0.624 nan 8.210 nan 0.000 0.445 173 D N 5.942 126.468 120.400 0.210 0.000 2.392 173 D HA 0.491 5.129 4.640 -0.003 0.000 0.246 173 D C -0.505 176.041 176.300 0.410 0.000 1.013 173 D CA -0.548 53.603 54.000 0.252 0.000 0.993 173 D CB 2.043 42.969 40.800 0.210 0.000 1.219 173 D HN 0.262 nan 8.370 nan 0.000 0.538 174 I N 0.264 121.048 120.570 0.356 0.000 2.315 174 I HA 0.410 4.579 4.170 -0.003 0.000 0.291 174 I C 0.752 177.010 176.117 0.235 0.000 1.006 174 I CA -0.507 60.989 61.300 0.327 0.000 1.265 174 I CB 1.498 39.586 38.000 0.145 0.000 1.387 174 I HN 0.424 nan 8.210 nan 0.000 0.475 175 G N 7.351 116.174 108.800 0.038 0.000 2.379 175 G HA2 0.774 4.732 3.960 -0.003 0.000 0.327 175 G HA3 0.774 4.732 3.960 -0.003 0.000 0.327 175 G C -0.790 173.929 174.900 -0.303 0.000 1.145 175 G CA -0.403 44.313 45.100 -0.640 0.000 0.905 175 G HN 0.511 nan 8.290 nan 0.000 0.466 176 I N 1.146 121.537 120.570 -0.299 0.000 2.512 176 I HA 0.248 4.416 4.170 -0.003 0.000 0.287 176 I C -0.001 176.040 176.117 -0.126 0.000 1.069 176 I CA -0.489 60.723 61.300 -0.148 0.000 1.056 176 I CB 2.117 40.066 38.000 -0.086 0.000 1.229 176 I HN 0.637 nan 8.210 nan 0.000 0.429 177 Q N 4.985 124.727 119.800 -0.097 0.000 2.460 177 Q HA -0.254 4.085 4.340 -0.003 0.000 0.311 177 Q C 0.227 176.195 176.000 -0.053 0.000 1.396 177 Q CA 0.911 56.685 55.803 -0.049 0.000 0.838 177 Q CB -1.231 27.504 28.738 -0.004 0.000 1.140 177 Q HN 0.973 nan 8.270 nan 0.000 0.415 178 N N -2.120 116.475 118.700 -0.176 0.000 2.900 178 N HA -0.225 4.513 4.740 -0.003 0.000 0.240 178 N C -0.400 174.834 175.510 -0.459 0.000 0.953 178 N CA 1.033 53.920 53.050 -0.271 0.000 0.950 178 N CB -0.600 37.761 38.487 -0.210 0.000 1.102 178 N HN 0.531 nan 8.380 nan 0.000 0.593 179 H N -0.769 118.126 119.070 -0.292 0.000 2.679 179 H HA 0.466 5.020 4.556 -0.003 0.000 0.367 179 H C -0.893 174.183 175.328 -0.420 0.000 1.162 179 H CA -0.244 55.681 56.048 -0.206 0.000 1.181 179 H CB 0.949 30.669 29.762 -0.069 0.000 1.693 179 H HN -0.087 nan 8.280 nan 0.000 0.538 180 F N 0.151 120.214 119.950 0.188 0.000 2.460 180 F HA 0.312 4.838 4.527 -0.003 0.000 0.341 180 F C 1.126 177.030 175.800 0.174 0.000 1.130 180 F CA -0.616 57.472 58.000 0.146 0.000 0.962 180 F CB 1.649 40.723 39.000 0.123 0.000 1.171 180 F HN 0.669 nan 8.300 nan 0.000 0.436 181 A N 1.488 124.463 122.820 0.259 0.000 2.019 181 A HA -0.138 4.181 4.320 -0.003 0.000 0.219 181 A C 2.101 179.919 177.584 0.389 0.000 1.164 181 A CA 1.810 54.011 52.037 0.273 0.000 0.644 181 A CB -0.715 18.340 19.000 0.091 0.000 0.805 181 A HN 0.700 nan 8.150 nan 0.000 0.449 182 S N -1.024 114.877 115.700 0.336 0.000 2.607 182 S HA 0.065 4.534 4.470 -0.003 0.000 0.224 182 S C 1.197 175.958 174.600 0.268 0.000 0.969 182 S CA 0.485 58.858 58.200 0.289 0.000 0.927 182 S CB -0.191 63.156 63.200 0.245 0.000 0.772 182 S HN 0.635 nan 8.310 nan 0.000 0.533 183 R N 0.403 121.085 120.500 0.302 0.000 2.549 183 R HA 0.271 4.609 4.340 -0.003 0.000 0.344 183 R C -0.159 176.293 176.300 0.253 0.000 0.979 183 R CA 0.040 56.282 56.100 0.237 0.000 1.140 183 R CB 0.458 30.879 30.300 0.202 0.000 1.377 183 R HN 0.500 nan 8.270 nan 0.000 0.541 184 E N 0.132 120.521 120.200 0.315 0.000 3.306 184 E HA 0.217 4.565 4.350 -0.003 0.000 0.197 184 E C 0.386 177.025 176.600 0.065 0.000 0.980 184 E CA 0.094 56.654 56.400 0.267 0.000 1.259 184 E CB 1.468 31.407 29.700 0.399 0.000 1.112 184 E HN 0.336 nan 8.360 nan 0.000 0.458 185 G N 0.923 109.784 108.800 0.102 0.000 2.284 185 G HA2 -0.389 3.569 3.960 -0.003 0.000 0.247 185 G HA3 -0.389 3.569 3.960 -0.003 0.000 0.247 185 G C 0.727 175.525 174.900 -0.169 0.000 1.012 185 G CA 0.471 45.543 45.100 -0.048 0.000 0.618 185 G HN 0.329 nan 8.290 nan 0.000 0.521 186 F N 1.330 121.315 119.950 0.059 0.000 2.149 186 F HA 0.409 4.934 4.527 -0.003 0.000 0.294 186 F C 2.090 177.965 175.800 0.125 0.000 1.095 186 F CA 1.868 59.900 58.000 0.054 0.000 1.276 186 F CB -0.611 38.419 39.000 0.050 0.000 1.023 186 F HN 1.198 nan 8.300 nan 0.000 0.480 187 G N -0.606 108.404 108.800 0.350 0.000 2.699 187 G HA2 0.355 4.314 3.960 -0.003 0.000 0.686 187 G HA3 0.355 4.314 3.960 -0.003 0.000 0.686 187 G C -0.469 174.566 174.900 0.225 0.000 1.301 187 G CA -0.747 44.494 45.100 0.236 0.000 0.816 187 G HN 0.904 nan 8.290 nan 0.000 0.595 188 G N -1.194 107.712 108.800 0.177 0.000 2.601 188 G HA2 0.667 4.626 3.960 -0.003 0.000 0.291 188 G HA3 0.667 4.626 3.960 -0.003 0.000 0.291 188 G C -0.245 174.732 174.900 0.128 0.000 1.456 188 G CA -0.458 44.733 45.100 0.151 0.000 0.804 188 G HN 1.234 nan 8.290 nan 0.000 0.499 189 I N 1.821 122.455 120.570 0.106 0.000 2.919 189 I HA -0.055 4.113 4.170 -0.003 0.000 0.299 189 I C 0.444 176.615 176.117 0.089 0.000 1.221 189 I CA 0.502 61.857 61.300 0.092 0.000 1.424 189 I CB 0.283 38.315 38.000 0.054 0.000 1.358 189 I HN 0.146 nan 8.210 nan 0.000 0.551 190 M N 6.743 126.407 119.600 0.108 0.000 2.367 190 M HA 0.425 4.903 4.480 -0.003 0.000 0.339 190 M C -0.292 176.087 176.300 0.133 0.000 1.177 190 M CA -0.333 55.039 55.300 0.119 0.000 1.068 190 M CB 1.540 34.215 32.600 0.125 0.000 1.602 190 M HN 0.525 nan 8.290 nan 0.000 0.457 191 Q N 1.680 121.570 119.800 0.150 0.000 2.433 191 Q HA 0.816 5.154 4.340 -0.003 0.000 0.279 191 Q C -1.146 174.996 176.000 0.236 0.000 1.105 191 Q CA -0.718 55.225 55.803 0.233 0.000 0.815 191 Q CB 3.832 32.711 28.738 0.236 0.000 1.403 191 Q HN 0.698 nan 8.270 nan 0.000 0.435 192 M N 1.424 121.220 119.600 0.326 0.000 2.470 192 M HA 0.394 4.872 4.480 -0.003 0.000 0.285 192 M C -2.116 174.369 176.300 0.309 0.000 1.213 192 M CA -0.695 54.758 55.300 0.254 0.000 0.901 192 M CB 2.435 35.188 32.600 0.255 0.000 1.718 192 M HN 0.589 nan 8.290 nan 0.000 0.469 193 K N 2.811 123.306 120.400 0.157 0.000 2.425 193 K HA 0.618 4.936 4.320 -0.003 0.000 0.259 193 K C -1.800 174.987 176.600 0.312 0.000 0.978 193 K CA -0.510 55.878 56.287 0.168 0.000 0.883 193 K CB 1.692 34.091 32.500 -0.170 0.000 1.110 193 K HN 0.489 nan 8.250 nan 0.000 0.436 194 F N 2.572 122.688 119.950 0.275 0.000 2.576 194 F HA 0.557 5.083 4.527 -0.003 0.000 0.313 194 F C -1.550 174.472 175.800 0.370 0.000 1.078 194 F CA -0.973 57.188 58.000 0.270 0.000 0.921 194 F CB 1.929 41.095 39.000 0.277 0.000 1.232 194 F HN 0.795 nan 8.300 nan 0.000 0.459 195 C N 8.828 127.763 119.300 -0.608 0.000 2.432 195 C HA 0.544 5.002 4.460 -0.003 0.000 0.334 195 C C -1.861 172.697 174.990 -0.719 0.000 1.155 195 C CA -1.480 57.352 59.018 -0.309 0.000 1.335 195 C CB 1.264 28.863 27.740 -0.234 0.000 1.964 195 C HN 0.754 nan 8.230 nan 0.000 0.444 196 P HA 0.055 nan 4.420 nan 0.000 0.228 196 P C 0.859 178.094 177.300 -0.109 0.000 1.166 196 P CA 1.179 64.155 63.100 -0.206 0.000 0.812 196 P CB 0.656 32.408 31.700 0.086 0.000 0.857 197 E N -0.191 119.978 120.200 -0.052 0.000 2.046 197 E HA -0.081 4.267 4.350 -0.003 0.000 0.190 197 E C 0.170 176.539 176.600 -0.385 0.000 0.982 197 E CA 1.031 57.303 56.400 -0.213 0.000 0.800 197 E CB -0.766 28.769 29.700 -0.276 0.000 0.756 197 E HN 0.362 nan 8.360 nan 0.000 0.449 198 Y N 0.864 121.094 120.300 -0.116 0.000 2.650 198 Y HA 0.237 4.785 4.550 -0.003 0.000 0.343 198 Y C 0.161 175.983 175.900 -0.130 0.000 1.078 198 Y CA -1.082 56.937 58.100 -0.136 0.000 1.356 198 Y CB 0.137 38.513 38.460 -0.141 0.000 1.204 198 Y HN -0.193 nan 8.280 nan 0.000 0.508 199 V N -0.077 119.823 119.914 -0.023 0.000 2.834 199 V HA 0.715 4.833 4.120 -0.003 0.000 0.313 199 V C 0.307 176.418 176.094 0.029 0.000 1.060 199 V CA -1.126 61.183 62.300 0.015 0.000 0.989 199 V CB 1.552 33.420 31.823 0.074 0.000 1.041 199 V HN 0.643 nan 8.190 nan 0.000 0.459 200 S N 1.864 117.602 115.700 0.064 0.000 2.593 200 S HA 0.609 5.078 4.470 -0.003 0.000 0.269 200 S C -0.230 174.429 174.600 0.100 0.000 1.334 200 S CA -0.498 57.747 58.200 0.076 0.000 1.015 200 S CB 1.176 64.433 63.200 0.094 0.000 0.912 200 S HN 1.127 nan 8.310 nan 0.000 0.541 201 V N 2.821 122.771 119.914 0.060 0.000 2.604 201 V HA 0.734 4.852 4.120 -0.003 0.000 0.305 201 V C -0.703 175.421 176.094 0.050 0.000 1.043 201 V CA -0.791 61.488 62.300 -0.036 0.000 0.888 201 V CB 1.093 32.858 31.823 -0.096 0.000 0.995 201 V HN 0.912 nan 8.190 nan 0.000 0.429 202 F N 1.976 121.939 119.950 0.022 0.000 2.599 202 F HA 0.826 5.351 4.527 -0.004 0.000 0.311 202 F C -0.699 175.137 175.800 0.061 0.000 1.076 202 F CA -1.465 56.547 58.000 0.019 0.000 0.937 202 F CB 1.794 40.794 39.000 -0.001 0.000 1.282 202 F HN 0.518 nan 8.300 nan 0.000 0.460 203 N N 0.733 119.561 118.700 0.213 0.000 2.504 203 N HA 0.303 5.041 4.740 -0.003 0.000 0.280 203 N C -1.900 173.712 175.510 0.170 0.000 1.052 203 N CA -0.833 52.301 53.050 0.139 0.000 0.887 203 N CB 1.022 39.514 38.487 0.009 0.000 1.323 203 N HN 0.655 nan 8.380 nan 0.000 0.509 204 N N 2.064 120.886 118.700 0.204 0.000 2.440 204 N HA -0.019 4.719 4.740 -0.003 0.000 0.265 204 N C 0.876 176.422 175.510 0.060 0.000 1.239 204 N CA -0.386 52.746 53.050 0.137 0.000 0.909 204 N CB 0.812 39.364 38.487 0.109 0.000 1.066 204 N HN 0.369 nan 8.380 nan 0.000 0.474 205 V N 1.835 121.793 119.914 0.072 0.000 2.216 205 V HA -0.250 3.869 4.120 -0.003 0.000 0.243 205 V C 2.165 178.264 176.094 0.008 0.000 1.044 205 V CA 1.555 63.864 62.300 0.016 0.000 0.995 205 V CB -0.623 31.267 31.823 0.110 0.000 0.633 205 V HN 0.616 nan 8.190 nan 0.000 0.446 206 Q N 0.233 120.067 119.800 0.057 0.000 2.500 206 Q HA 0.002 4.340 4.340 -0.003 0.000 0.213 206 Q C 0.550 176.586 176.000 0.059 0.000 0.974 206 Q CA 0.689 56.529 55.803 0.061 0.000 0.918 206 Q CB -0.124 28.660 28.738 0.077 0.000 0.980 206 Q HN 0.728 nan 8.270 nan 0.000 0.505 207 E N 0.399 120.633 120.200 0.055 0.000 2.263 207 E HA 0.333 4.682 4.350 -0.003 0.000 0.264 207 E C -0.725 175.916 176.600 0.069 0.000 0.923 207 E CA -0.543 55.901 56.400 0.073 0.000 0.802 207 E CB 1.231 30.985 29.700 0.089 0.000 1.228 207 E HN 0.131 nan 8.360 nan 0.000 0.417 208 N N 0.912 119.670 118.700 0.096 0.000 2.456 208 N HA 0.208 4.947 4.740 -0.003 0.000 0.296 208 N C -1.031 174.565 175.510 0.142 0.000 1.102 208 N CA -0.773 52.335 53.050 0.097 0.000 0.924 208 N CB 0.902 39.447 38.487 0.097 0.000 1.186 208 N HN 0.143 nan 8.380 nan 0.000 0.492 209 K N 0.632 121.091 120.400 0.098 0.000 2.805 209 K HA 0.380 4.699 4.320 -0.003 0.000 0.227 209 K C 0.636 177.213 176.600 -0.039 0.000 1.207 209 K CA -0.886 55.425 56.287 0.040 0.000 1.153 209 K CB 0.102 32.567 32.500 -0.058 0.000 1.688 209 K HN 0.801 nan 8.250 nan 0.000 0.467 210 G N 0.138 108.953 108.800 0.024 0.000 2.176 210 G HA2 -0.067 3.891 3.960 -0.003 0.000 0.232 210 G HA3 -0.067 3.891 3.960 -0.003 0.000 0.232 210 G C 0.379 175.309 174.900 0.050 0.000 0.986 210 G CA -0.165 44.946 45.100 0.019 0.000 0.643 210 G HN 1.354 nan 8.290 nan 0.000 0.522 211 A N -1.550 121.309 122.820 0.066 0.000 2.251 211 A HA 0.339 4.657 4.320 -0.003 0.000 0.283 211 A C 0.665 178.300 177.584 0.085 0.000 1.415 211 A CA 2.047 54.133 52.037 0.083 0.000 0.742 211 A CB -1.567 17.482 19.000 0.081 0.000 1.151 211 A HN 2.337 nan 8.150 nan 0.000 0.354 212 S N -0.783 114.967 115.700 0.082 0.000 2.482 212 S HA 0.416 4.884 4.470 -0.003 0.000 0.295 212 S C 0.554 175.171 174.600 0.027 0.000 1.038 212 S CA -0.003 58.246 58.200 0.080 0.000 0.968 212 S CB 0.160 63.432 63.200 0.121 0.000 1.182 212 S HN 1.741 nan 8.310 nan 0.000 0.441 213 I N 2.107 122.610 120.570 -0.112 0.000 2.756 213 I HA 0.148 4.316 4.170 -0.003 0.000 0.262 213 I C 1.129 177.056 176.117 -0.316 0.000 1.225 213 I CA 1.213 62.360 61.300 -0.255 0.000 1.472 213 I CB -0.268 37.433 38.000 -0.499 0.000 1.094 213 I HN 0.563 nan 8.210 nan 0.000 0.454 214 F N 0.854 120.822 119.950 0.029 0.000 2.512 214 F HA 0.119 4.645 4.527 -0.002 0.000 0.296 214 F C 1.561 177.380 175.800 0.031 0.000 1.110 214 F CA 0.202 58.219 58.000 0.028 0.000 1.446 214 F CB -0.376 38.641 39.000 0.029 0.000 1.092 214 F HN 0.165 nan 8.300 nan 0.000 0.554 215 N N 0.610 119.411 118.700 0.169 0.000 2.478 215 N HA 0.229 4.967 4.740 -0.003 0.000 0.275 215 N C -0.270 175.281 175.510 0.069 0.000 1.221 215 N CA -0.498 52.618 53.050 0.111 0.000 0.979 215 N CB 0.835 39.377 38.487 0.092 0.000 1.202 215 N HN -0.034 nan 8.380 nan 0.000 0.564 216 R N 0.357 120.893 120.500 0.060 0.000 2.623 216 R HA 0.079 4.417 4.340 -0.003 0.000 0.271 216 R C 0.100 176.399 176.300 -0.001 0.000 1.043 216 R CA 0.197 56.323 56.100 0.044 0.000 1.083 216 R CB 0.386 30.735 30.300 0.083 0.000 0.974 216 R HN 0.571 nan 8.270 nan 0.000 0.436 217 R N 0.323 120.808 120.500 -0.024 0.000 2.750 217 R HA 0.758 5.096 4.340 -0.003 0.000 0.281 217 R C -0.430 175.792 176.300 -0.131 0.000 0.972 217 R CA -0.175 55.885 56.100 -0.066 0.000 0.912 217 R CB 1.924 32.224 30.300 -0.000 0.000 1.187 217 R HN 0.743 nan 8.270 nan 0.000 0.464 218 G N 0.405 109.077 108.800 -0.214 0.000 2.434 218 G HA2 -0.005 3.953 3.960 -0.003 0.000 0.671 218 G HA3 -0.005 3.953 3.960 -0.003 0.000 0.671 218 G C -1.856 172.711 174.900 -0.555 0.000 1.280 218 G CA -0.701 44.252 45.100 -0.244 0.000 0.975 218 G HN 0.490 nan 8.290 nan 0.000 0.510 219 Y N -0.717 119.192 120.300 -0.652 0.000 2.512 219 Y HA 0.685 5.232 4.550 -0.004 0.000 0.348 219 Y C 0.477 175.834 175.900 -0.905 0.000 0.990 219 Y CA -0.795 56.798 58.100 -0.845 0.000 1.033 219 Y CB 1.867 39.744 38.460 -0.972 0.000 1.259 219 Y HN 0.765 nan 8.280 nan 0.000 0.461 220 F N -1.129 118.556 119.950 -0.442 0.000 2.432 220 F HA 0.822 5.347 4.527 -0.003 0.000 0.329 220 F C 0.050 175.807 175.800 -0.072 0.000 1.076 220 F CA -1.210 56.585 58.000 -0.342 0.000 1.018 220 F CB 0.734 39.458 39.000 -0.460 0.000 1.201 220 F HN 0.254 nan 8.300 nan 0.000 0.489 221 S N 0.661 116.548 115.700 0.312 0.000 2.584 221 S HA 0.069 4.537 4.470 -0.003 0.000 0.273 221 S C -0.577 174.306 174.600 0.472 0.000 1.311 221 S CA -0.614 57.819 58.200 0.389 0.000 1.034 221 S CB 0.545 63.941 63.200 0.327 0.000 0.939 221 S HN 0.707 nan 8.310 nan 0.000 0.513 222 D N 2.967 123.632 120.400 0.441 0.000 2.336 222 D HA 0.135 4.773 4.640 -0.003 0.000 0.249 222 D C -1.236 175.247 176.300 0.305 0.000 1.213 222 D CA -2.043 52.247 54.000 0.482 0.000 0.870 222 D CB 1.138 42.178 40.800 0.399 0.000 1.076 222 D HN 0.154 nan 8.370 nan 0.000 0.483 223 P HA -0.219 nan 4.420 nan 0.000 0.218 223 P C 1.038 178.495 177.300 0.261 0.000 1.146 223 P CA 0.993 64.230 63.100 0.228 0.000 0.820 223 P CB 0.248 32.019 31.700 0.119 0.000 0.778 224 A N -0.314 122.624 122.820 0.197 0.000 1.930 224 A HA -0.144 4.174 4.320 -0.003 0.000 0.217 224 A C 2.215 179.795 177.584 -0.006 0.000 1.175 224 A CA 1.387 53.478 52.037 0.090 0.000 0.627 224 A CB -1.447 17.623 19.000 0.116 0.000 0.815 224 A HN 0.212 nan 8.150 nan 0.000 0.443 225 L N -0.190 121.055 121.223 0.037 0.000 2.131 225 L HA 0.040 4.378 4.340 -0.003 0.000 0.206 225 L C 2.117 179.017 176.870 0.050 0.000 1.087 225 L CA 1.426 56.254 54.840 -0.020 0.000 0.767 225 L CB -0.388 41.672 42.059 0.001 0.000 0.917 225 L HN 0.408 nan 8.230 nan 0.000 0.441 226 I N -1.010 119.643 120.570 0.138 0.000 2.286 226 I HA -0.268 3.900 4.170 -0.003 0.000 0.248 226 I C 2.271 178.546 176.117 0.264 0.000 1.115 226 I CA 0.967 62.391 61.300 0.206 0.000 1.392 226 I CB -0.345 37.810 38.000 0.259 0.000 1.065 226 I HN 0.320 nan 8.210 nan 0.000 0.418 227 L N 0.346 121.666 121.223 0.162 0.000 2.072 227 L HA -0.106 4.232 4.340 -0.003 0.000 0.205 227 L C 2.358 179.124 176.870 -0.174 0.000 1.079 227 L CA 1.764 56.502 54.840 -0.172 0.000 0.752 227 L CB -0.412 41.356 42.059 -0.485 0.000 0.906 227 L HN 0.134 nan 8.230 nan 0.000 0.436 228 M N -1.643 117.861 119.600 -0.160 0.000 2.296 228 M HA -0.201 4.277 4.480 -0.003 0.000 0.265 228 M C 2.198 178.407 176.300 -0.150 0.000 1.064 228 M CA 1.524 56.702 55.300 -0.203 0.000 1.109 228 M CB -0.555 31.900 32.600 -0.242 0.000 1.396 228 M HN 0.453 nan 8.290 nan 0.000 0.430 229 H N 0.622 119.605 119.070 -0.144 0.000 2.357 229 H HA -0.107 4.447 4.556 -0.003 0.000 0.301 229 H C 1.914 177.129 175.328 -0.188 0.000 1.082 229 H CA 1.654 57.611 56.048 -0.151 0.000 1.342 229 H CB 0.331 30.067 29.762 -0.044 0.000 1.389 229 H HN 0.165 nan 8.280 nan 0.000 0.511 230 E N 0.679 120.923 120.200 0.072 0.000 2.072 230 E HA -0.112 4.236 4.350 -0.003 0.000 0.191 230 E C 2.531 179.098 176.600 -0.054 0.000 0.985 230 E CA 0.732 57.194 56.400 0.103 0.000 0.801 230 E CB -0.305 29.499 29.700 0.173 0.000 0.750 230 E HN 0.545 nan 8.360 nan 0.000 0.452 231 L N 0.541 121.675 121.223 -0.148 0.000 2.127 231 L HA -0.147 4.191 4.340 -0.003 0.000 0.211 231 L C 2.436 179.137 176.870 -0.281 0.000 1.089 231 L CA 0.786 55.508 54.840 -0.197 0.000 0.757 231 L CB -0.401 41.500 42.059 -0.263 0.000 0.899 231 L HN 0.101 nan 8.230 nan 0.000 0.434 232 I N -1.246 119.088 120.570 -0.392 0.000 2.315 232 I HA -0.281 3.888 4.170 -0.003 0.000 0.248 232 I C 2.570 178.277 176.117 -0.684 0.000 1.117 232 I CA 0.873 61.825 61.300 -0.582 0.000 1.404 232 I CB -0.488 37.152 38.000 -0.600 0.000 1.071 232 I HN 0.324 nan 8.210 nan 0.000 0.419 233 H N 0.186 119.040 119.070 -0.358 0.000 2.357 233 H HA -0.076 4.478 4.556 -0.003 0.000 0.301 233 H C 2.514 177.779 175.328 -0.105 0.000 1.082 233 H CA 1.335 57.271 56.048 -0.186 0.000 1.342 233 H CB -0.380 29.344 29.762 -0.064 0.000 1.389 233 H HN 0.137 nan 8.280 nan 0.000 0.511 234 V N 1.308 121.238 119.914 0.026 0.000 2.287 234 V HA -0.245 3.873 4.120 -0.003 0.000 0.248 234 V C 2.742 178.848 176.094 0.020 0.000 1.053 234 V CA 1.630 63.952 62.300 0.038 0.000 1.027 234 V CB -0.792 31.039 31.823 0.015 0.000 0.646 234 V HN 0.192 nan 8.190 nan 0.000 0.447 235 L N -0.040 121.118 121.223 -0.109 0.000 1.990 235 L HA -0.257 4.081 4.340 -0.003 0.000 0.213 235 L C 2.376 179.294 176.870 0.080 0.000 1.072 235 L CA 2.283 57.063 54.840 -0.100 0.000 0.755 235 L CB -0.915 40.913 42.059 -0.385 0.000 0.889 235 L HN 0.471 nan 8.230 nan 0.000 0.432 236 H N -1.506 117.569 119.070 0.008 0.000 2.319 236 H HA -0.112 4.442 4.556 -0.003 0.000 0.299 236 H C 2.058 177.468 175.328 0.137 0.000 1.092 236 H CA 0.720 56.798 56.048 0.051 0.000 1.302 236 H CB -0.375 29.409 29.762 0.037 0.000 1.373 236 H HN 0.548 nan 8.280 nan 0.000 0.497 237 G N 0.543 109.495 108.800 0.253 0.000 2.408 237 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.217 237 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.217 237 G C 1.643 176.669 174.900 0.210 0.000 1.150 237 G CA 0.493 45.719 45.100 0.210 0.000 0.776 237 G HN 0.217 nan 8.290 nan 0.000 0.542 238 L N -1.089 120.253 121.223 0.198 0.000 2.093 238 L HA -0.007 4.331 4.340 -0.003 0.000 0.208 238 L C 2.191 179.093 176.870 0.053 0.000 1.085 238 L CA 0.733 55.647 54.840 0.123 0.000 0.755 238 L CB -0.248 41.866 42.059 0.092 0.000 0.904 238 L HN 0.184 nan 8.230 nan 0.000 0.435 239 Y N 0.103 120.449 120.300 0.076 0.000 2.471 239 Y HA 0.193 4.742 4.550 -0.003 0.000 0.286 239 Y C 1.679 177.736 175.900 0.261 0.000 1.188 239 Y CA 0.188 58.346 58.100 0.097 0.000 1.286 239 Y CB -0.355 38.162 38.460 0.095 0.000 1.072 239 Y HN 0.237 nan 8.280 nan 0.000 0.517 240 G N 1.827 110.828 108.800 0.334 0.000 2.273 240 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.280 240 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.280 240 G C 0.668 175.767 174.900 0.331 0.000 1.047 240 G CA 0.822 46.116 45.100 0.323 0.000 0.869 240 G HN 0.699 nan 8.290 nan 0.000 0.502 241 I N -3.383 117.363 120.570 0.293 0.000 4.050 241 I HA 0.503 4.671 4.170 -0.003 0.000 0.327 241 I C 1.044 177.211 176.117 0.083 0.000 1.473 241 I CA -0.264 61.153 61.300 0.196 0.000 1.124 241 I CB 0.522 38.618 38.000 0.159 0.000 1.129 241 I HN 0.045 nan 8.210 nan 0.000 0.428 242 K N 3.248 123.718 120.400 0.118 0.000 3.322 242 K HA 0.192 4.510 4.320 -0.003 0.000 0.291 242 K C 0.313 176.924 176.600 0.018 0.000 1.131 242 K CA -0.216 56.106 56.287 0.059 0.000 1.185 242 K CB -0.280 32.285 32.500 0.108 0.000 1.338 242 K HN 0.476 nan 8.250 nan 0.000 0.380 243 V N -1.409 118.520 119.914 0.024 0.000 3.237 243 V HA 0.155 4.273 4.120 -0.003 0.000 0.305 243 V C 0.231 176.311 176.094 -0.024 0.000 1.096 243 V CA -0.584 61.731 62.300 0.026 0.000 1.130 243 V CB 0.865 32.721 31.823 0.056 0.000 1.048 243 V HN 0.172 nan 8.190 nan 0.000 0.484 244 D N 0.817 121.209 120.400 -0.013 0.000 2.268 244 D HA 0.670 5.308 4.640 -0.003 0.000 0.249 244 D C -0.319 175.972 176.300 -0.015 0.000 1.008 244 D CA -0.122 53.857 54.000 -0.036 0.000 0.939 244 D CB 1.668 42.446 40.800 -0.036 0.000 1.170 244 D HN 0.916 nan 8.370 nan 0.000 0.468 245 D N -0.321 120.062 120.400 -0.029 0.000 2.992 245 D HA 0.084 4.722 4.640 -0.003 0.000 0.349 245 D C -1.221 175.065 176.300 -0.024 0.000 1.393 245 D CA -0.562 53.431 54.000 -0.012 0.000 0.887 245 D CB 0.938 41.737 40.800 -0.002 0.000 1.447 245 D HN 0.196 nan 8.370 nan 0.000 0.524 246 L N 3.290 124.503 121.223 -0.016 0.000 2.562 246 L HA 0.269 4.608 4.340 -0.003 0.000 0.271 246 L C -2.014 174.823 176.870 -0.055 0.000 1.167 246 L CA -0.134 54.687 54.840 -0.031 0.000 0.917 246 L CB 0.239 42.286 42.059 -0.020 0.000 1.187 246 L HN 0.154 nan 8.230 nan 0.000 0.482 247 P HA 0.235 nan 4.420 nan 0.000 0.281 247 P C -0.934 176.311 177.300 -0.092 0.000 1.281 247 P CA -0.668 62.392 63.100 -0.068 0.000 0.811 247 P CB 1.201 32.872 31.700 -0.049 0.000 1.154 248 I N 1.450 121.995 120.570 -0.042 0.000 2.304 248 I HA 0.152 4.320 4.170 -0.003 0.000 0.291 248 I C 0.507 176.665 176.117 0.068 0.000 1.018 248 I CA -0.568 60.722 61.300 -0.016 0.000 1.260 248 I CB 0.673 38.763 38.000 0.151 0.000 1.390 248 I HN 0.131 nan 8.210 nan 0.000 0.475 249 V N 6.919 126.825 119.914 -0.013 0.000 2.581 249 V HA 0.715 4.833 4.120 -0.003 0.000 0.303 249 V C -2.573 173.493 176.094 -0.047 0.000 1.041 249 V CA -2.059 60.244 62.300 0.004 0.000 0.907 249 V CB 1.698 33.494 31.823 -0.045 0.000 0.994 249 V HN 0.509 nan 8.190 nan 0.000 0.442 250 P HA 0.241 nan 4.420 nan 0.000 0.288 250 P C -0.801 176.337 177.300 -0.271 0.000 1.267 250 P CA -0.388 62.482 63.100 -0.383 0.000 0.815 250 P CB 1.201 32.625 31.700 -0.460 0.000 0.989 251 N N 2.167 120.675 118.700 -0.321 0.000 2.470 251 N HA 0.014 4.752 4.740 -0.003 0.000 0.268 251 N C 0.123 175.457 175.510 -0.294 0.000 1.136 251 N CA 0.328 53.216 53.050 -0.270 0.000 0.961 251 N CB 0.197 38.489 38.487 -0.325 0.000 1.067 251 N HN 0.339 nan 8.380 nan 0.000 0.468 252 E N 2.466 122.531 120.200 -0.225 0.000 2.789 252 E HA 0.105 4.454 4.350 -0.003 0.000 0.208 252 E C 0.361 176.841 176.600 -0.200 0.000 0.988 252 E CA -0.145 56.134 56.400 -0.202 0.000 1.092 252 E CB 0.546 30.177 29.700 -0.114 0.000 1.066 252 E HN 0.564 nan 8.360 nan 0.000 0.465 253 K N 0.726 120.977 120.400 -0.248 0.000 2.167 253 K HA 0.034 4.352 4.320 -0.003 0.000 0.203 253 K C 0.756 177.214 176.600 -0.236 0.000 1.052 253 K CA 0.693 56.864 56.287 -0.194 0.000 0.956 253 K CB 0.283 32.687 32.500 -0.161 0.000 0.735 253 K HN -0.115 nan 8.250 nan 0.000 0.451 254 K N 0.755 120.880 120.400 -0.459 0.000 2.118 254 K HA 0.104 4.422 4.320 -0.003 0.000 0.254 254 K C 0.843 177.096 176.600 -0.578 0.000 0.961 254 K CA -0.446 55.476 56.287 -0.608 0.000 0.876 254 K CB 0.842 32.562 32.500 -1.301 0.000 1.077 254 K HN -0.014 nan 8.250 nan 0.000 0.440 255 F N 0.509 120.254 119.950 -0.342 0.000 2.451 255 F HA -0.067 4.455 4.527 -0.008 0.000 0.299 255 F C 1.152 176.921 175.800 -0.051 0.000 1.101 255 F CA 0.518 58.432 58.000 -0.143 0.000 1.436 255 F CB -0.514 38.486 39.000 -0.000 0.000 1.074 255 F HN 0.413 nan 8.300 nan 0.000 0.553 256 F N -0.300 119.180 119.950 -0.783 0.000 2.765 256 F HA 0.449 4.981 4.527 0.009 0.000 0.302 256 F C 0.423 176.250 175.800 0.044 0.000 1.111 256 F CA -1.270 56.552 58.000 -0.296 0.000 1.359 256 F CB -1.137 37.677 39.000 -0.310 0.000 1.097 256 F HN -0.149 nan 8.300 nan 0.000 0.577 257 M N 2.044 121.439 119.600 -0.342 0.000 2.180 257 M HA 0.181 4.659 4.480 -0.003 0.000 0.358 257 M C 0.143 176.413 176.300 -0.050 0.000 1.233 257 M CA -0.189 55.010 55.300 -0.168 0.000 1.114 257 M CB 1.211 33.554 32.600 -0.428 0.000 1.594 257 M HN 0.179 nan 8.290 nan 0.000 0.467 258 Q N 1.856 121.686 119.800 0.051 0.000 2.313 258 Q HA 0.157 4.495 4.340 -0.003 0.000 0.266 258 Q C -0.930 175.103 176.000 0.055 0.000 0.989 258 Q CA 0.117 55.982 55.803 0.103 0.000 0.890 258 Q CB 0.823 29.702 28.738 0.235 0.000 1.200 258 Q HN 0.685 nan 8.270 nan 0.000 0.396 259 S N 2.699 118.462 115.700 0.104 0.000 2.508 259 S HA 0.582 5.050 4.470 -0.003 0.000 0.284 259 S C -0.491 174.172 174.600 0.105 0.000 1.192 259 S CA -0.374 57.874 58.200 0.081 0.000 1.070 259 S CB 1.720 64.987 63.200 0.112 0.000 1.004 259 S HN 0.742 nan 8.310 nan 0.000 0.493 260 T N 1.551 116.156 114.554 0.086 0.000 2.700 260 T HA 0.213 4.562 4.350 -0.003 0.000 0.307 260 T C -1.913 172.838 174.700 0.085 0.000 1.580 260 T CA -0.777 61.381 62.100 0.098 0.000 0.992 260 T CB 0.773 69.754 68.868 0.188 0.000 1.577 260 T HN 0.443 nan 8.240 nan 0.000 0.496 261 D N 1.527 121.968 120.400 0.068 0.000 2.378 261 D HA 0.460 5.098 4.640 -0.003 0.000 0.238 261 D C 0.425 176.775 176.300 0.084 0.000 1.180 261 D CA 0.205 54.238 54.000 0.054 0.000 0.895 261 D CB 0.889 41.711 40.800 0.037 0.000 1.192 261 D HN 0.800 nan 8.370 nan 0.000 0.438 262 A N 1.791 124.642 122.820 0.051 0.000 2.477 262 A HA 0.274 4.592 4.320 -0.003 0.000 0.246 262 A C 0.292 177.896 177.584 0.034 0.000 1.078 262 A CA -0.096 51.970 52.037 0.049 0.000 0.770 262 A CB -0.078 18.928 19.000 0.009 0.000 1.011 262 A HN 0.492 nan 8.150 nan 0.000 0.494 263 I N 3.018 123.614 120.570 0.043 0.000 2.307 263 I HA 0.153 4.321 4.170 -0.003 0.000 0.289 263 I C 0.183 176.250 176.117 -0.084 0.000 1.021 263 I CA -0.387 60.888 61.300 -0.042 0.000 1.224 263 I CB 1.186 39.140 38.000 -0.076 0.000 1.376 263 I HN 0.601 nan 8.210 nan 0.000 0.470 264 Q N 3.642 123.372 119.800 -0.116 0.000 2.340 264 Q HA 0.255 4.593 4.340 -0.003 0.000 0.249 264 Q C 1.134 177.018 176.000 -0.194 0.000 0.957 264 Q CA -0.031 55.691 55.803 -0.135 0.000 0.882 264 Q CB 1.530 30.190 28.738 -0.130 0.000 1.235 264 Q HN 0.844 nan 8.270 nan 0.000 0.439 265 A N 2.325 125.002 122.820 -0.240 0.000 1.948 265 A HA -0.232 4.086 4.320 -0.003 0.000 0.220 265 A C 1.752 178.970 177.584 -0.610 0.000 1.177 265 A CA 1.809 53.591 52.037 -0.425 0.000 0.636 265 A CB -0.288 18.408 19.000 -0.508 0.000 0.815 265 A HN 0.821 nan 8.150 nan 0.000 0.449 266 E N -0.048 119.895 120.200 -0.429 0.000 2.160 266 E HA -0.262 4.086 4.350 -0.003 0.000 0.195 266 E C 1.891 178.468 176.600 -0.038 0.000 0.991 266 E CA 1.765 58.002 56.400 -0.271 0.000 0.810 266 E CB -0.084 29.529 29.700 -0.144 0.000 0.742 266 E HN 0.681 nan 8.360 nan 0.000 0.466 267 E N 0.560 120.723 120.200 -0.061 0.000 2.046 267 E HA -0.089 4.259 4.350 -0.003 0.000 0.190 267 E C 2.320 178.911 176.600 -0.014 0.000 0.982 267 E CA 1.039 57.450 56.400 0.018 0.000 0.800 267 E CB -0.447 29.160 29.700 -0.156 0.000 0.756 267 E HN 0.301 nan 8.360 nan 0.000 0.449 268 L N -0.161 120.995 121.223 -0.111 0.000 2.141 268 L HA -0.147 4.191 4.340 -0.003 0.000 0.209 268 L C 2.225 179.277 176.870 0.302 0.000 1.094 268 L CA 0.788 55.645 54.840 0.029 0.000 0.763 268 L CB -0.527 41.545 42.059 0.021 0.000 0.908 268 L HN 0.212 nan 8.230 nan 0.000 0.437 269 Y N 0.436 120.800 120.300 0.108 0.000 2.200 269 Y HA -0.169 4.379 4.550 -0.003 0.000 0.290 269 Y C 2.920 178.888 175.900 0.113 0.000 1.137 269 Y CA 1.041 59.228 58.100 0.144 0.000 1.163 269 Y CB -1.383 37.100 38.460 0.039 0.000 0.988 269 Y HN 0.150 nan 8.280 nan 0.000 0.518 270 T N 0.416 115.123 114.554 0.253 0.000 2.759 270 T HA -0.216 4.132 4.350 -0.003 0.000 0.269 270 T C 1.755 176.479 174.700 0.040 0.000 1.042 270 T CA 1.476 63.600 62.100 0.039 0.000 1.140 270 T CB -0.660 68.062 68.868 -0.243 0.000 0.864 270 T HN 0.269 nan 8.240 nan 0.000 0.455 271 F N 1.368 121.366 119.950 0.080 0.000 2.163 271 F HA 0.281 4.807 4.527 -0.002 0.000 0.297 271 F C 1.605 177.461 175.800 0.094 0.000 1.094 271 F CA 1.096 59.174 58.000 0.130 0.000 1.290 271 F CB -0.559 38.534 39.000 0.155 0.000 1.017 271 F HN 0.386 nan 8.300 nan 0.000 0.483 272 G N -0.197 108.728 108.800 0.208 0.000 2.584 272 G HA2 0.223 4.181 3.960 -0.003 0.000 0.229 272 G HA3 0.223 4.181 3.960 -0.003 0.000 0.229 272 G C 0.676 175.690 174.900 0.189 0.000 1.320 272 G CA -0.039 45.132 45.100 0.119 0.000 0.891 272 G HN 1.551 nan 8.290 nan 0.000 0.573 273 G N -1.223 107.625 108.800 0.081 0.000 2.550 273 G HA2 -0.028 3.930 3.960 -0.003 0.000 0.277 273 G HA3 -0.028 3.930 3.960 -0.003 0.000 0.277 273 G C 1.263 176.261 174.900 0.164 0.000 1.190 273 G CA 2.195 47.368 45.100 0.122 0.000 0.971 273 G HN 2.361 nan 8.290 nan 0.000 0.559 274 Q N -0.452 119.463 119.800 0.191 0.000 2.245 274 Q HA 0.061 4.399 4.340 -0.003 0.000 0.201 274 Q C 1.755 177.873 176.000 0.196 0.000 0.955 274 Q CA 1.708 57.609 55.803 0.163 0.000 0.870 274 Q CB -0.130 28.683 28.738 0.126 0.000 0.945 274 Q HN 0.579 nan 8.270 nan 0.000 0.461 275 D N 2.049 122.607 120.400 0.264 0.000 2.170 275 D HA -0.155 4.483 4.640 -0.003 0.000 0.193 275 D C -0.663 175.799 176.300 0.270 0.000 1.004 275 D CA 1.491 55.658 54.000 0.279 0.000 0.860 275 D CB -1.425 39.561 40.800 0.310 0.000 0.931 275 D HN 0.359 nan 8.370 nan 0.000 0.448 276 P HA -0.029 nan 4.420 nan 0.000 0.219 276 P C 1.185 178.639 177.300 0.257 0.000 1.146 276 P CA 1.095 64.383 63.100 0.314 0.000 0.808 276 P CB 0.045 31.864 31.700 0.198 0.000 0.779 277 S N -1.111 114.712 115.700 0.205 0.000 2.515 277 S HA 0.011 4.480 4.470 -0.003 0.000 0.231 277 S C 1.603 176.330 174.600 0.212 0.000 0.987 277 S CA 0.641 58.964 58.200 0.206 0.000 0.936 277 S CB -0.807 62.510 63.200 0.196 0.000 0.766 277 S HN 0.214 nan 8.310 nan 0.000 0.528 278 I N 1.031 121.728 120.570 0.212 0.000 3.428 278 I HA 0.057 4.225 4.170 -0.003 0.000 0.286 278 I C -0.180 176.086 176.117 0.248 0.000 1.287 278 I CA 0.502 61.929 61.300 0.213 0.000 1.396 278 I CB 0.081 38.190 38.000 0.182 0.000 1.062 278 I HN 0.177 nan 8.210 nan 0.000 0.471 279 I N 2.307 123.026 120.570 0.250 0.000 2.307 279 I HA 0.079 4.248 4.170 -0.003 0.000 0.289 279 I C 0.970 177.240 176.117 0.255 0.000 1.021 279 I CA -0.137 61.309 61.300 0.244 0.000 1.224 279 I CB 0.848 39.027 38.000 0.299 0.000 1.376 279 I HN 0.090 nan 8.210 nan 0.000 0.470 280 T N 4.788 119.486 114.554 0.240 0.000 2.906 280 T HA 0.116 4.464 4.350 -0.003 0.000 0.320 280 T C -1.734 173.083 174.700 0.194 0.000 1.088 280 T CA -0.841 61.384 62.100 0.209 0.000 1.120 280 T CB 0.658 69.643 68.868 0.195 0.000 1.000 280 T HN 0.325 nan 8.240 nan 0.000 0.550 281 P HA -0.073 nan 4.420 nan 0.000 0.218 281 P C 1.818 179.186 177.300 0.113 0.000 1.148 281 P CA 0.991 64.184 63.100 0.156 0.000 0.822 281 P CB -0.075 31.721 31.700 0.160 0.000 0.784 282 S N -0.968 114.789 115.700 0.095 0.000 2.351 282 S HA -0.163 4.306 4.470 -0.003 0.000 0.220 282 S C 1.953 176.611 174.600 0.098 0.000 1.035 282 S CA 2.034 60.276 58.200 0.070 0.000 1.031 282 S CB -1.523 61.715 63.200 0.063 0.000 0.928 282 S HN 0.248 nan 8.310 nan 0.000 0.433 283 T N 1.981 116.610 114.554 0.125 0.000 2.915 283 T HA -0.074 4.274 4.350 -0.003 0.000 0.269 283 T C 1.301 176.115 174.700 0.191 0.000 1.071 283 T CA 1.037 63.216 62.100 0.132 0.000 1.132 283 T CB -0.428 68.511 68.868 0.118 0.000 0.878 283 T HN 0.272 nan 8.240 nan 0.000 0.479 284 D N 1.369 121.913 120.400 0.240 0.000 2.117 284 D HA -0.044 4.595 4.640 -0.003 0.000 0.197 284 D C 2.164 178.644 176.300 0.300 0.000 0.987 284 D CA 1.075 55.287 54.000 0.354 0.000 0.829 284 D CB -0.059 40.929 40.800 0.313 0.000 0.961 284 D HN 0.392 nan 8.370 nan 0.000 0.460 285 K N 0.374 120.880 120.400 0.176 0.000 2.155 285 K HA -0.017 4.301 4.320 -0.003 0.000 0.203 285 K C 2.180 178.878 176.600 0.163 0.000 1.052 285 K CA 0.535 56.900 56.287 0.129 0.000 0.948 285 K CB -0.049 32.466 32.500 0.026 0.000 0.728 285 K HN -0.067 nan 8.250 nan 0.000 0.448 286 S N 1.552 117.333 115.700 0.136 0.000 2.353 286 S HA -0.144 4.324 4.470 -0.003 0.000 0.222 286 S C 1.985 176.662 174.600 0.128 0.000 1.035 286 S CA 1.059 59.324 58.200 0.108 0.000 1.025 286 S CB -0.205 63.047 63.200 0.086 0.000 0.902 286 S HN 0.187 nan 8.310 nan 0.000 0.440 287 I N 0.062 120.734 120.570 0.170 0.000 2.142 287 I HA -0.162 4.007 4.170 -0.003 0.000 0.240 287 I C 2.259 178.485 176.117 0.182 0.000 1.078 287 I CA 1.869 63.279 61.300 0.185 0.000 1.343 287 I CB -0.653 37.504 38.000 0.261 0.000 1.046 287 I HN 0.405 nan 8.210 nan 0.000 0.405 288 Y N 2.248 122.580 120.300 0.053 0.000 2.002 288 Y HA -0.422 4.126 4.550 -0.003 0.000 0.268 288 Y C 2.300 178.126 175.900 -0.123 0.000 1.177 288 Y CA 2.300 60.277 58.100 -0.204 0.000 1.111 288 Y CB -0.453 37.901 38.460 -0.176 0.000 0.952 288 Y HN 0.235 nan 8.280 nan 0.000 0.491 289 D N -0.004 120.484 120.400 0.147 0.000 2.133 289 D HA -0.188 4.450 4.640 -0.003 0.000 0.195 289 D C 2.074 178.343 176.300 -0.050 0.000 0.997 289 D CA 1.743 55.762 54.000 0.032 0.000 0.840 289 D CB -0.316 40.532 40.800 0.080 0.000 0.947 289 D HN 0.435 nan 8.370 nan 0.000 0.452 290 K N 0.181 120.579 120.400 -0.003 0.000 2.097 290 K HA -0.072 4.246 4.320 -0.003 0.000 0.206 290 K C 2.134 178.721 176.600 -0.022 0.000 1.049 290 K CA 0.599 56.887 56.287 0.003 0.000 0.933 290 K CB -0.008 32.518 32.500 0.042 0.000 0.717 290 K HN 0.023 nan 8.250 nan 0.000 0.442 291 V N 1.385 121.267 119.914 -0.053 0.000 2.379 291 V HA -0.200 3.918 4.120 -0.003 0.000 0.245 291 V C 2.095 178.068 176.094 -0.202 0.000 1.044 291 V CA 1.133 63.387 62.300 -0.076 0.000 1.036 291 V CB -0.322 31.468 31.823 -0.055 0.000 0.664 291 V HN 0.260 nan 8.190 nan 0.000 0.453 292 L N 0.469 121.499 121.223 -0.322 0.000 2.046 292 L HA -0.171 4.167 4.340 -0.003 0.000 0.208 292 L C 2.384 179.084 176.870 -0.283 0.000 1.077 292 L CA 2.170 56.678 54.840 -0.554 0.000 0.747 292 L CB -0.996 40.631 42.059 -0.721 0.000 0.896 292 L HN 0.371 nan 8.230 nan 0.000 0.432 293 Q N -0.379 119.319 119.800 -0.171 0.000 2.167 293 Q HA -0.171 4.168 4.340 -0.003 0.000 0.202 293 Q C 1.979 177.942 176.000 -0.061 0.000 0.970 293 Q CA 1.624 57.365 55.803 -0.104 0.000 0.855 293 Q CB -0.343 28.355 28.738 -0.066 0.000 0.911 293 Q HN 0.558 nan 8.270 nan 0.000 0.438 294 N N -0.738 117.956 118.700 -0.010 0.000 2.142 294 N HA -0.094 4.644 4.740 -0.003 0.000 0.186 294 N C 1.142 176.677 175.510 0.042 0.000 1.023 294 N CA 0.914 53.970 53.050 0.010 0.000 0.852 294 N CB -0.279 38.267 38.487 0.097 0.000 0.998 294 N HN 0.246 nan 8.380 nan 0.000 0.424 295 F N 1.791 121.657 119.950 -0.141 0.000 2.293 295 F HA 0.037 4.563 4.527 -0.003 0.000 0.300 295 F C 2.280 177.967 175.800 -0.188 0.000 1.086 295 F CA 0.585 58.526 58.000 -0.098 0.000 1.375 295 F CB -0.215 38.853 39.000 0.114 0.000 1.045 295 F HN -0.012 nan 8.300 nan 0.000 0.516 296 R N -0.626 119.845 120.500 -0.049 0.000 2.090 296 R HA -0.038 4.300 4.340 -0.003 0.000 0.228 296 R C 2.564 178.739 176.300 -0.209 0.000 1.110 296 R CA 1.072 57.073 56.100 -0.165 0.000 0.973 296 R CB -1.008 29.204 30.300 -0.146 0.000 0.869 296 R HN 0.338 nan 8.270 nan 0.000 0.440 297 G N 1.414 110.092 108.800 -0.204 0.000 2.408 297 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.217 297 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.217 297 G C 1.375 176.072 174.900 -0.339 0.000 1.150 297 G CA 0.307 45.267 45.100 -0.234 0.000 0.776 297 G HN 0.054 nan 8.290 nan 0.000 0.542 298 I N 0.741 121.031 120.570 -0.467 0.000 2.252 298 I HA -0.058 4.110 4.170 -0.003 0.000 0.245 298 I C 2.808 178.686 176.117 -0.398 0.000 1.102 298 I CA 0.659 61.592 61.300 -0.611 0.000 1.385 298 I CB -1.043 36.423 38.000 -0.890 0.000 1.064 298 I HN 0.106 nan 8.210 nan 0.000 0.414 299 V N 1.180 120.805 119.914 -0.481 0.000 2.667 299 V HA -0.255 3.863 4.120 -0.003 0.000 0.252 299 V C 2.070 177.972 176.094 -0.319 0.000 1.065 299 V CA 2.200 64.082 62.300 -0.698 0.000 1.083 299 V CB -0.348 30.754 31.823 -1.203 0.000 0.692 299 V HN 0.355 nan 8.190 nan 0.000 0.468 300 D N -0.449 119.804 120.400 -0.245 0.000 2.183 300 D HA -0.128 4.510 4.640 -0.003 0.000 0.203 300 D C 2.327 178.578 176.300 -0.082 0.000 0.969 300 D CA 1.105 55.022 54.000 -0.139 0.000 0.842 300 D CB -0.050 40.672 40.800 -0.129 0.000 0.957 300 D HN 0.392 nan 8.370 nan 0.000 0.484 301 R N -0.310 120.128 120.500 -0.103 0.000 2.075 301 R HA 0.019 4.357 4.340 -0.003 0.000 0.232 301 R C 2.385 178.722 176.300 0.062 0.000 1.126 301 R CA 0.741 56.824 56.100 -0.027 0.000 0.963 301 R CB -0.250 30.012 30.300 -0.063 0.000 0.858 301 R HN 0.274 nan 8.270 nan 0.000 0.435 302 L N 0.963 122.246 121.223 0.101 0.000 2.187 302 L HA -0.182 4.157 4.340 -0.003 0.000 0.213 302 L C 1.411 178.461 176.870 0.300 0.000 1.100 302 L CA 1.028 55.999 54.840 0.218 0.000 0.765 302 L CB -0.451 41.662 42.059 0.090 0.000 0.904 302 L HN 0.277 nan 8.230 nan 0.000 0.437 303 N N -0.010 118.805 118.700 0.192 0.000 2.467 303 N HA -0.048 4.690 4.740 -0.003 0.000 0.184 303 N C 1.308 176.848 175.510 0.051 0.000 1.106 303 N CA 0.720 53.848 53.050 0.129 0.000 0.892 303 N CB 0.378 38.897 38.487 0.053 0.000 0.969 303 N HN 0.436 nan 8.380 nan 0.000 0.454 304 K N -0.290 120.129 120.400 0.030 0.000 2.464 304 K HA 0.152 4.470 4.320 -0.003 0.000 0.206 304 K C 0.273 176.846 176.600 -0.045 0.000 1.186 304 K CA -0.109 56.172 56.287 -0.009 0.000 0.990 304 K CB 1.313 33.802 32.500 -0.019 0.000 1.003 304 K HN -0.146 nan 8.250 nan 0.000 0.562 305 V N 2.266 122.133 119.914 -0.078 0.000 2.694 305 V HA -0.046 4.072 4.120 -0.003 0.000 0.306 305 V C 0.565 176.552 176.094 -0.179 0.000 1.054 305 V CA 0.845 62.996 62.300 -0.249 0.000 1.161 305 V CB 0.453 31.948 31.823 -0.548 0.000 0.916 305 V HN 0.244 nan 8.190 nan 0.000 0.490 306 L N 6.054 127.165 121.223 -0.186 0.000 2.966 306 L HA 0.360 4.699 4.340 -0.003 0.000 0.262 306 L C 0.100 176.927 176.870 -0.073 0.000 1.068 306 L CA 0.641 55.427 54.840 -0.091 0.000 1.004 306 L CB 0.946 42.973 42.059 -0.053 0.000 1.629 306 L HN 0.665 nan 8.230 nan 0.000 0.542 307 V N -4.125 115.730 119.914 -0.098 0.000 3.181 307 V HA 0.584 4.702 4.120 -0.003 0.000 0.307 307 V C -1.619 174.482 176.094 0.011 0.000 1.310 307 V CA -1.243 61.042 62.300 -0.025 0.000 1.067 307 V CB 2.287 34.106 31.823 -0.006 0.000 1.081 307 V HN 0.043 nan 8.190 nan 0.000 0.453 308 C N 3.584 122.925 119.300 0.068 0.000 2.660 308 C HA 0.618 5.076 4.460 -0.003 0.000 0.336 308 C C 1.391 176.415 174.990 0.056 0.000 1.058 308 C CA -0.188 58.894 59.018 0.106 0.000 1.368 308 C CB -0.293 27.534 27.740 0.145 0.000 1.884 308 C HN 1.030 nan 8.230 nan 0.000 0.454 309 I N 4.141 124.735 120.570 0.040 0.000 2.202 309 I HA -0.012 4.156 4.170 -0.003 0.000 0.242 309 I C 2.173 178.299 176.117 0.014 0.000 1.091 309 I CA 2.390 63.703 61.300 0.021 0.000 1.368 309 I CB -1.840 36.167 38.000 0.013 0.000 1.058 309 I HN 0.698 nan 8.210 nan 0.000 0.410 310 S N 0.929 116.638 115.700 0.016 0.000 2.374 310 S HA -0.233 4.235 4.470 -0.003 0.000 0.227 310 S C 0.883 175.480 174.600 -0.005 0.000 1.037 310 S CA 1.454 59.654 58.200 -0.001 0.000 1.024 310 S CB -0.676 62.525 63.200 0.001 0.000 0.861 310 S HN 0.693 nan 8.310 nan 0.000 0.456 311 D N 0.953 121.359 120.400 0.011 0.000 2.402 311 D HA 0.453 5.091 4.640 -0.003 0.000 0.252 311 D C -2.607 173.705 176.300 0.021 0.000 1.294 311 D CA -2.395 51.610 54.000 0.008 0.000 0.948 311 D CB 1.835 42.642 40.800 0.012 0.000 1.202 311 D HN -0.108 nan 8.370 nan 0.000 0.561 312 P HA 0.003 nan 4.420 nan 0.000 0.228 312 P C 0.707 178.025 177.300 0.031 0.000 1.151 312 P CA 0.725 63.839 63.100 0.023 0.000 0.770 312 P CB 0.356 32.065 31.700 0.015 0.000 0.786 313 N N -1.246 117.473 118.700 0.031 0.000 2.376 313 N HA -0.002 4.736 4.740 -0.003 0.000 0.177 313 N C 0.358 175.907 175.510 0.064 0.000 1.024 313 N CA 0.116 53.192 53.050 0.043 0.000 0.893 313 N CB -0.156 38.355 38.487 0.039 0.000 0.980 313 N HN -0.071 nan 8.380 nan 0.000 0.439 314 I N 1.962 122.565 120.570 0.055 0.000 2.741 314 I HA -0.124 4.044 4.170 -0.003 0.000 0.288 314 I C 0.489 176.657 176.117 0.086 0.000 1.192 314 I CA 0.324 61.647 61.300 0.040 0.000 1.426 314 I CB -0.444 37.503 38.000 -0.088 0.000 1.367 314 I HN 0.225 nan 8.210 nan 0.000 0.563 315 N N 7.849 126.637 118.700 0.147 0.000 2.439 315 N HA 0.058 4.796 4.740 -0.003 0.000 0.243 315 N C 1.015 176.655 175.510 0.216 0.000 1.088 315 N CA -0.444 52.700 53.050 0.156 0.000 0.940 315 N CB 0.692 39.263 38.487 0.140 0.000 1.180 315 N HN 0.310 nan 8.380 nan 0.000 0.505 316 I N 2.884 123.576 120.570 0.202 0.000 2.145 316 I HA -0.341 3.828 4.170 -0.003 0.000 0.244 316 I C 1.740 178.028 176.117 0.284 0.000 1.075 316 I CA 1.111 62.579 61.300 0.280 0.000 1.332 316 I CB -1.035 37.072 38.000 0.179 0.000 1.033 316 I HN 0.549 nan 8.210 nan 0.000 0.410 317 N N 0.970 119.786 118.700 0.193 0.000 2.058 317 N HA -0.138 4.600 4.740 -0.003 0.000 0.191 317 N C 1.951 177.546 175.510 0.141 0.000 1.037 317 N CA 1.168 54.319 53.050 0.169 0.000 0.848 317 N CB -0.329 38.229 38.487 0.118 0.000 1.021 317 N HN 0.230 nan 8.380 nan 0.000 0.422 318 I N 0.802 121.432 120.570 0.099 0.000 2.145 318 I HA -0.300 3.868 4.170 -0.003 0.000 0.244 318 I C 2.041 178.073 176.117 -0.141 0.000 1.075 318 I CA 1.418 62.710 61.300 -0.014 0.000 1.332 318 I CB -1.251 36.730 38.000 -0.032 0.000 1.033 318 I HN 0.119 nan 8.210 nan 0.000 0.410 319 Y N 1.088 121.287 120.300 -0.168 0.000 2.200 319 Y HA -0.155 4.393 4.550 -0.003 0.000 0.290 319 Y C 2.609 178.342 175.900 -0.279 0.000 1.137 319 Y CA 1.367 59.212 58.100 -0.424 0.000 1.163 319 Y CB -0.458 37.690 38.460 -0.520 0.000 0.988 319 Y HN 0.115 nan 8.280 nan 0.000 0.518 320 K N -0.040 120.494 120.400 0.223 0.000 2.152 320 K HA -0.193 4.125 4.320 -0.003 0.000 0.206 320 K C 1.560 178.215 176.600 0.093 0.000 1.048 320 K CA 1.471 57.916 56.287 0.263 0.000 0.933 320 K CB -0.157 32.558 32.500 0.359 0.000 0.721 320 K HN 0.345 nan 8.250 nan 0.000 0.447 321 N N 0.830 119.559 118.700 0.048 0.000 2.250 321 N HA -0.121 4.617 4.740 -0.003 0.000 0.181 321 N C 1.639 177.096 175.510 -0.087 0.000 1.017 321 N CA 0.949 54.012 53.050 0.022 0.000 0.866 321 N CB -0.042 38.455 38.487 0.016 0.000 0.985 321 N HN 0.031 nan 8.380 nan 0.000 0.429 322 K N 0.979 121.225 120.400 -0.256 0.000 2.025 322 K HA 0.082 4.400 4.320 -0.003 0.000 0.207 322 K C 1.803 178.234 176.600 -0.281 0.000 1.049 322 K CA 1.099 57.156 56.287 -0.382 0.000 0.933 322 K CB -0.533 31.540 32.500 -0.711 0.000 0.714 322 K HN 0.130 nan 8.250 nan 0.000 0.438 323 F N 1.056 120.962 119.950 -0.073 0.000 2.186 323 F HA -0.111 4.415 4.527 -0.003 0.000 0.299 323 F C 2.334 178.124 175.800 -0.017 0.000 1.090 323 F CA 0.661 58.666 58.000 0.008 0.000 1.307 323 F CB -0.105 39.039 39.000 0.241 0.000 1.019 323 F HN 0.037 nan 8.300 nan 0.000 0.489 324 K N 1.010 121.480 120.400 0.117 0.000 2.063 324 K HA -0.264 4.055 4.320 -0.003 0.000 0.208 324 K C 1.664 178.286 176.600 0.036 0.000 1.048 324 K CA 2.012 58.338 56.287 0.065 0.000 0.928 324 K CB -0.663 31.837 32.500 0.000 0.000 0.713 324 K HN 0.296 nan 8.250 nan 0.000 0.442 325 D N 0.405 120.803 120.400 -0.003 0.000 2.249 325 D HA -0.120 4.519 4.640 -0.003 0.000 0.205 325 D C 1.865 178.120 176.300 -0.075 0.000 0.962 325 D CA 0.599 54.589 54.000 -0.017 0.000 0.860 325 D CB 0.214 41.000 40.800 -0.023 0.000 0.955 325 D HN 0.243 nan 8.370 nan 0.000 0.505 326 K N -0.167 120.136 120.400 -0.162 0.000 2.002 326 K HA -0.192 4.126 4.320 -0.003 0.000 0.209 326 K C 1.503 177.885 176.600 -0.363 0.000 1.048 326 K CA 1.198 57.302 56.287 -0.305 0.000 0.930 326 K CB -0.245 31.940 32.500 -0.524 0.000 0.714 326 K HN 0.185 nan 8.250 nan 0.000 0.438 327 Y N 1.206 121.258 120.300 -0.415 0.000 2.471 327 Y HA 0.135 4.683 4.550 -0.003 0.000 0.286 327 Y C -0.123 175.500 175.900 -0.460 0.000 1.188 327 Y CA -0.174 57.493 58.100 -0.722 0.000 1.286 327 Y CB 0.466 37.799 38.460 -1.878 0.000 1.072 327 Y HN -0.022 nan 8.280 nan 0.000 0.517 328 K N 0.344 120.692 120.400 -0.087 0.000 3.257 328 K HA -0.220 4.099 4.320 -0.003 0.000 0.270 328 K C -0.811 175.939 176.600 0.251 0.000 0.984 328 K CA 0.687 57.035 56.287 0.103 0.000 0.739 328 K CB -2.296 30.309 32.500 0.174 0.000 1.351 328 K HN 0.431 nan 8.250 nan 0.000 0.463 329 F N -0.266 119.808 119.950 0.206 0.000 2.377 329 F HA 0.290 4.815 4.527 -0.003 0.000 0.328 329 F C 1.504 177.421 175.800 0.197 0.000 1.094 329 F CA -1.424 56.689 58.000 0.188 0.000 1.093 329 F CB 1.105 40.180 39.000 0.124 0.000 1.214 329 F HN -0.053 nan 8.300 nan 0.000 0.518 330 V N 0.520 120.671 119.914 0.394 0.000 2.407 330 V HA 0.408 4.527 4.120 -0.003 0.000 0.278 330 V C -0.352 175.914 176.094 0.286 0.000 1.037 330 V CA -0.698 61.769 62.300 0.279 0.000 0.900 330 V CB 1.256 33.195 31.823 0.194 0.000 0.983 330 V HN 0.889 nan 8.190 nan 0.000 0.459 331 E N 3.609 123.971 120.200 0.270 0.000 2.561 331 E HA 0.493 4.841 4.350 -0.003 0.000 0.254 331 E C -0.868 175.775 176.600 0.071 0.000 1.213 331 E CA -0.531 55.986 56.400 0.195 0.000 0.995 331 E CB 1.282 31.111 29.700 0.215 0.000 1.233 331 E HN 1.055 nan 8.360 nan 0.000 0.556 332 D N -0.739 119.653 120.400 -0.014 0.000 2.583 332 D HA 0.002 4.640 4.640 -0.003 0.000 0.248 332 D C 0.532 176.815 176.300 -0.028 0.000 1.209 332 D CA 0.078 54.072 54.000 -0.009 0.000 0.848 332 D CB 1.021 41.810 40.800 -0.018 0.000 1.431 332 D HN 0.486 nan 8.370 nan 0.000 0.436 333 S N 1.067 116.760 115.700 -0.011 0.000 2.409 333 S HA -0.339 4.130 4.470 -0.003 0.000 0.237 333 S C 1.129 175.711 174.600 -0.029 0.000 1.060 333 S CA 1.935 60.128 58.200 -0.012 0.000 1.052 333 S CB -0.695 62.502 63.200 -0.005 0.000 0.871 333 S HN 0.662 nan 8.310 nan 0.000 0.465 334 E N 0.575 120.747 120.200 -0.047 0.000 2.385 334 E HA 0.311 4.660 4.350 -0.003 0.000 0.194 334 E C 1.370 177.908 176.600 -0.102 0.000 1.013 334 E CA 0.261 56.625 56.400 -0.060 0.000 0.866 334 E CB -0.070 29.597 29.700 -0.055 0.000 0.832 334 E HN 0.766 nan 8.360 nan 0.000 0.500 335 G N 2.168 110.874 108.800 -0.157 0.000 2.154 335 G HA2 -0.220 3.739 3.960 -0.003 0.000 0.186 335 G HA3 -0.220 3.739 3.960 -0.003 0.000 0.186 335 G C 0.071 174.665 174.900 -0.510 0.000 1.000 335 G CA -0.241 44.675 45.100 -0.305 0.000 0.664 335 G HN 0.029 nan 8.290 nan 0.000 0.513 336 K N 1.229 121.447 120.400 -0.303 0.000 2.349 336 K HA 0.547 4.865 4.320 -0.003 0.000 0.289 336 K C -0.052 176.417 176.600 -0.217 0.000 1.064 336 K CA -0.477 55.666 56.287 -0.241 0.000 0.947 336 K CB -0.298 32.136 32.500 -0.110 0.000 1.007 336 K HN 0.291 nan 8.250 nan 0.000 0.478 337 Y N 2.231 122.528 120.300 -0.005 0.000 2.304 337 Y HA 0.284 4.832 4.550 -0.003 0.000 0.328 337 Y C 0.924 176.756 175.900 -0.113 0.000 1.123 337 Y CA -0.122 57.966 58.100 -0.020 0.000 1.218 337 Y CB 1.362 39.818 38.460 -0.006 0.000 1.207 337 Y HN 0.707 nan 8.280 nan 0.000 0.495 338 S N 2.349 118.084 115.700 0.058 0.000 2.638 338 S HA 0.649 5.117 4.470 -0.003 0.000 0.274 338 S C -1.244 173.331 174.600 -0.041 0.000 1.157 338 S CA -1.034 57.131 58.200 -0.058 0.000 0.826 338 S CB 1.170 64.363 63.200 -0.012 0.000 1.139 338 S HN 0.544 nan 8.310 nan 0.000 0.474 339 I N 2.036 122.568 120.570 -0.063 0.000 2.342 339 I HA 0.280 4.448 4.170 -0.003 0.000 0.291 339 I C -0.267 175.923 176.117 0.121 0.000 1.010 339 I CA -0.285 61.056 61.300 0.069 0.000 1.308 339 I CB 0.953 38.949 38.000 -0.008 0.000 1.400 339 I HN 0.700 nan 8.210 nan 0.000 0.488 340 D N 6.391 126.925 120.400 0.223 0.000 2.359 340 D HA 0.120 4.759 4.640 -0.003 0.000 0.230 340 D C 0.899 177.344 176.300 0.242 0.000 1.118 340 D CA -0.363 53.758 54.000 0.202 0.000 0.844 340 D CB 1.912 42.845 40.800 0.220 0.000 1.059 340 D HN 0.254 nan 8.370 nan 0.000 0.493 341 V N 4.597 124.622 119.914 0.185 0.000 2.287 341 V HA -0.280 3.839 4.120 -0.003 0.000 0.248 341 V C 2.093 178.358 176.094 0.285 0.000 1.053 341 V CA 1.794 64.228 62.300 0.224 0.000 1.027 341 V CB -0.436 31.479 31.823 0.154 0.000 0.646 341 V HN 0.548 nan 8.190 nan 0.000 0.447 342 E N 0.876 121.206 120.200 0.217 0.000 2.051 342 E HA -0.183 4.165 4.350 -0.003 0.000 0.192 342 E C 2.466 179.203 176.600 0.228 0.000 0.991 342 E CA 1.775 58.296 56.400 0.202 0.000 0.799 342 E CB -0.556 29.234 29.700 0.151 0.000 0.748 342 E HN 0.761 nan 8.360 nan 0.000 0.449 343 S N 0.145 115.988 115.700 0.238 0.000 2.368 343 S HA -0.201 4.267 4.470 -0.003 0.000 0.225 343 S C 2.054 176.822 174.600 0.280 0.000 1.030 343 S CA 0.994 59.338 58.200 0.239 0.000 0.999 343 S CB -0.673 62.672 63.200 0.242 0.000 0.844 343 S HN 0.334 nan 8.310 nan 0.000 0.459 344 F N 2.850 122.927 119.950 0.212 0.000 2.095 344 F HA -0.063 4.462 4.527 -0.003 0.000 0.298 344 F C 1.901 177.812 175.800 0.184 0.000 1.104 344 F CA 1.934 60.061 58.000 0.212 0.000 1.232 344 F CB -0.940 38.162 39.000 0.169 0.000 0.987 344 F HN 0.184 nan 8.300 nan 0.000 0.475 345 D N 0.217 120.746 120.400 0.215 0.000 2.106 345 D HA -0.259 4.380 4.640 -0.003 0.000 0.191 345 D C 2.287 178.671 176.300 0.140 0.000 0.997 345 D CA 1.982 56.097 54.000 0.192 0.000 0.834 345 D CB -0.245 40.738 40.800 0.304 0.000 0.956 345 D HN 0.310 nan 8.370 nan 0.000 0.448 346 K N -0.268 120.235 120.400 0.172 0.000 2.057 346 K HA -0.164 4.154 4.320 -0.003 0.000 0.207 346 K C 2.106 178.737 176.600 0.051 0.000 1.049 346 K CA 0.825 57.242 56.287 0.216 0.000 0.931 346 K CB -0.244 32.389 32.500 0.223 0.000 0.714 346 K HN 0.105 nan 8.250 nan 0.000 0.440 347 L N 0.600 121.815 121.223 -0.013 0.000 2.017 347 L HA -0.188 4.150 4.340 -0.003 0.000 0.208 347 L C 2.208 178.933 176.870 -0.241 0.000 1.073 347 L CA 1.743 56.524 54.840 -0.100 0.000 0.745 347 L CB -0.825 41.234 42.059 0.001 0.000 0.894 347 L HN 0.282 nan 8.230 nan 0.000 0.432 348 Y N 0.513 120.533 120.300 -0.467 0.000 2.128 348 Y HA -0.286 4.262 4.550 -0.003 0.000 0.284 348 Y C 2.402 178.033 175.900 -0.449 0.000 1.154 348 Y CA 2.244 60.022 58.100 -0.537 0.000 1.149 348 Y CB -0.167 37.843 38.460 -0.750 0.000 0.976 348 Y HN 0.186 nan 8.280 nan 0.000 0.505 349 K N -0.565 119.703 120.400 -0.219 0.000 2.097 349 K HA -0.121 4.197 4.320 -0.003 0.000 0.205 349 K C 2.288 178.443 176.600 -0.741 0.000 1.050 349 K CA 1.366 57.508 56.287 -0.241 0.000 0.938 349 K CB -0.242 32.461 32.500 0.338 0.000 0.718 349 K HN 0.198 nan 8.250 nan 0.000 0.442 350 S N 1.505 116.614 115.700 -0.985 0.000 2.368 350 S HA -0.066 4.403 4.470 -0.003 0.000 0.225 350 S C 1.908 176.198 174.600 -0.516 0.000 1.030 350 S CA 1.086 58.603 58.200 -1.137 0.000 0.999 350 S CB -0.147 62.658 63.200 -0.657 0.000 0.844 350 S HN 0.200 nan 8.310 nan 0.000 0.459 351 L N 0.165 121.129 121.223 -0.432 0.000 2.179 351 L HA 0.065 4.403 4.340 -0.003 0.000 0.208 351 L C 2.229 178.957 176.870 -0.238 0.000 1.096 351 L CA 0.676 55.361 54.840 -0.258 0.000 0.779 351 L CB -0.311 41.551 42.059 -0.330 0.000 0.922 351 L HN 0.311 nan 8.230 nan 0.000 0.443 352 M N -1.689 117.485 119.600 -0.709 0.000 2.534 352 M HA 0.110 4.588 4.480 -0.003 0.000 0.263 352 M C 1.515 177.355 176.300 -0.767 0.000 1.152 352 M CA 1.320 56.078 55.300 -0.903 0.000 1.145 352 M CB -0.191 31.366 32.600 -1.739 0.000 1.333 352 M HN 0.157 nan 8.290 nan 0.000 0.477 353 F N -1.714 118.058 119.950 -0.297 0.000 2.784 353 F HA 0.347 4.872 4.527 -0.003 0.000 0.323 353 F C 2.091 177.797 175.800 -0.157 0.000 1.085 353 F CA -0.107 57.772 58.000 -0.202 0.000 1.196 353 F CB -0.208 38.701 39.000 -0.152 0.000 1.053 353 F HN 0.111 nan 8.300 nan 0.000 0.578 354 G N 0.729 109.413 108.800 -0.193 0.000 2.508 354 G HA2 -0.021 3.937 3.960 -0.003 0.000 0.212 354 G HA3 -0.021 3.937 3.960 -0.003 0.000 0.212 354 G C 0.147 174.839 174.900 -0.346 0.000 1.206 354 G CA 0.013 44.939 45.100 -0.290 0.000 0.822 354 G HN 0.108 nan 8.290 nan 0.000 0.550 355 F N 2.727 122.570 119.950 -0.178 0.000 2.464 355 F HA 0.419 4.944 4.527 -0.003 0.000 0.353 355 F C 0.834 176.529 175.800 -0.175 0.000 1.191 355 F CA -0.159 57.735 58.000 -0.178 0.000 1.147 355 F CB 0.470 39.326 39.000 -0.240 0.000 1.294 355 F HN 0.059 nan 8.300 nan 0.000 0.583 356 T N -1.776 112.756 114.554 -0.036 0.000 2.906 356 T HA 0.268 4.616 4.350 -0.003 0.000 0.295 356 T C 0.750 175.365 174.700 -0.142 0.000 1.075 356 T CA -0.857 61.195 62.100 -0.080 0.000 1.005 356 T CB 1.917 70.753 68.868 -0.054 0.000 1.136 356 T HN 0.526 nan 8.240 nan 0.000 0.498 357 E N 0.690 120.773 120.200 -0.196 0.000 2.077 357 E HA -0.157 4.191 4.350 -0.003 0.000 0.193 357 E C 1.605 178.008 176.600 -0.327 0.000 0.989 357 E CA 1.792 58.058 56.400 -0.224 0.000 0.800 357 E CB -0.307 29.288 29.700 -0.174 0.000 0.746 357 E HN 0.788 nan 8.360 nan 0.000 0.452 358 T N 1.200 115.489 114.554 -0.440 0.000 2.746 358 T HA -0.118 4.230 4.350 -0.003 0.000 0.267 358 T C 1.575 176.168 174.700 -0.179 0.000 1.039 358 T CA 1.286 63.170 62.100 -0.359 0.000 1.142 358 T CB -0.228 68.448 68.868 -0.319 0.000 0.866 358 T HN 0.173 nan 8.240 nan 0.000 0.444 359 N N 1.044 119.667 118.700 -0.129 0.000 2.142 359 N HA 0.086 4.824 4.740 -0.003 0.000 0.186 359 N C 1.929 177.414 175.510 -0.041 0.000 1.023 359 N CA 0.814 53.821 53.050 -0.071 0.000 0.852 359 N CB -0.375 38.071 38.487 -0.067 0.000 0.998 359 N HN 0.365 nan 8.380 nan 0.000 0.424 360 I N 1.164 121.697 120.570 -0.062 0.000 2.286 360 I HA -0.229 3.939 4.170 -0.003 0.000 0.248 360 I C 2.276 178.395 176.117 0.004 0.000 1.115 360 I CA 0.829 62.109 61.300 -0.033 0.000 1.392 360 I CB -0.263 37.651 38.000 -0.143 0.000 1.065 360 I HN 0.060 nan 8.210 nan 0.000 0.418 361 A N 0.228 123.010 122.820 -0.062 0.000 1.877 361 A HA -0.237 4.081 4.320 -0.003 0.000 0.216 361 A C 2.321 179.933 177.584 0.047 0.000 1.186 361 A CA 1.576 53.592 52.037 -0.035 0.000 0.620 361 A CB -0.549 18.373 19.000 -0.131 0.000 0.822 361 A HN 0.327 nan 8.150 nan 0.000 0.443 362 E N 0.181 120.392 120.200 0.019 0.000 2.118 362 E HA -0.228 4.120 4.350 -0.003 0.000 0.195 362 E C 1.836 178.491 176.600 0.091 0.000 0.992 362 E CA 1.610 58.042 56.400 0.054 0.000 0.804 362 E CB -0.351 29.360 29.700 0.019 0.000 0.741 362 E HN 0.638 nan 8.360 nan 0.000 0.458 363 N N -0.854 117.915 118.700 0.116 0.000 2.216 363 N HA -0.145 4.594 4.740 -0.003 0.000 0.183 363 N C 1.012 176.598 175.510 0.127 0.000 1.017 363 N CA 0.896 54.020 53.050 0.122 0.000 0.861 363 N CB -0.131 38.452 38.487 0.159 0.000 0.986 363 N HN 0.094 nan 8.380 nan 0.000 0.428 364 Y N 0.840 121.147 120.300 0.012 0.000 2.470 364 Y HA 0.300 4.849 4.550 -0.003 0.000 0.284 364 Y C 0.072 176.009 175.900 0.063 0.000 1.188 364 Y CA -0.113 58.001 58.100 0.024 0.000 1.269 364 Y CB -0.160 38.310 38.460 0.018 0.000 1.094 364 Y HN -0.086 nan 8.280 nan 0.000 0.518 365 K N 0.555 121.082 120.400 0.211 0.000 3.156 365 K HA -0.218 4.101 4.320 -0.003 0.000 0.266 365 K C -0.637 176.189 176.600 0.377 0.000 0.966 365 K CA 0.524 56.969 56.287 0.263 0.000 0.719 365 K CB -1.919 30.672 32.500 0.151 0.000 1.333 365 K HN 0.345 nan 8.250 nan 0.000 0.468 366 I N 0.599 121.319 120.570 0.249 0.000 2.493 366 I HA 0.217 4.386 4.170 -0.003 0.000 0.298 366 I C 0.383 176.392 176.117 -0.181 0.000 0.998 366 I CA -0.916 60.467 61.300 0.137 0.000 1.137 366 I CB 1.788 39.861 38.000 0.122 0.000 1.310 366 I HN 0.055 nan 8.210 nan 0.000 0.445 367 K N 3.406 123.548 120.400 -0.430 0.000 2.144 367 K HA 0.538 4.856 4.320 -0.003 0.000 0.270 367 K C -0.562 175.881 176.600 -0.262 0.000 1.005 367 K CA -0.087 55.787 56.287 -0.689 0.000 0.932 367 K CB 1.486 33.406 32.500 -0.967 0.000 1.021 367 K HN 0.688 nan 8.250 nan 0.000 0.462 368 T N 1.025 115.269 114.554 -0.516 0.000 2.787 368 T HA 0.318 4.666 4.350 -0.003 0.000 0.297 368 T C -1.387 172.544 174.700 -1.282 0.000 1.221 368 T CA -0.961 60.581 62.100 -0.931 0.000 1.006 368 T CB 0.743 69.347 68.868 -0.441 0.000 1.328 368 T HN 0.765 nan 8.240 nan 0.000 0.509 369 R N 1.433 121.183 120.500 -1.251 0.000 2.679 369 R HA 0.507 4.845 4.340 -0.003 0.000 0.268 369 R C 1.180 177.400 176.300 -0.133 0.000 1.044 369 R CA 0.346 56.069 56.100 -0.628 0.000 1.105 369 R CB 0.146 30.238 30.300 -0.346 0.000 0.989 369 R HN 0.612 nan 8.270 nan 0.000 0.447 370 A N 2.097 124.877 122.820 -0.068 0.000 1.969 370 A HA -0.070 4.248 4.320 -0.003 0.000 0.218 370 A C 1.043 178.702 177.584 0.125 0.000 1.169 370 A CA 1.513 53.573 52.037 0.039 0.000 0.635 370 A CB -0.045 18.972 19.000 0.029 0.000 0.810 370 A HN 0.816 nan 8.150 nan 0.000 0.445 371 S N -4.284 111.371 115.700 -0.075 0.000 2.579 371 S HA 0.432 4.900 4.470 -0.003 0.000 0.272 371 S C 0.263 174.407 174.600 -0.760 0.000 1.141 371 S CA -0.214 57.820 58.200 -0.278 0.000 0.843 371 S CB 0.600 63.725 63.200 -0.124 0.000 1.122 371 S HN 0.419 nan 8.310 nan 0.000 0.468 372 Y N 3.039 122.669 120.300 -1.116 0.000 2.181 372 Y HA 0.194 4.742 4.550 -0.004 0.000 0.288 372 Y C 0.214 175.645 175.900 -0.782 0.000 1.146 372 Y CA 1.457 58.914 58.100 -1.071 0.000 1.164 372 Y CB -0.095 37.847 38.460 -0.864 0.000 0.982 372 Y HN 0.587 nan 8.280 nan 0.000 0.515 373 F N 1.744 121.391 119.950 -0.505 0.000 2.567 373 F HA 0.333 4.859 4.527 -0.001 0.000 0.352 373 F C -0.010 175.434 175.800 -0.594 0.000 1.229 373 F CA 0.048 57.710 58.000 -0.564 0.000 1.228 373 F CB -0.053 38.668 39.000 -0.466 0.000 1.568 373 F HN -0.214 nan 8.300 nan 0.000 0.634 374 S N 0.658 116.093 115.700 -0.442 0.000 2.540 374 S HA 0.247 4.716 4.470 -0.003 0.000 0.275 374 S C -0.997 173.505 174.600 -0.164 0.000 1.123 374 S CA -1.204 56.790 58.200 -0.344 0.000 0.907 374 S CB 1.593 64.638 63.200 -0.257 0.000 1.081 374 S HN 0.273 nan 8.310 nan 0.000 0.476 375 D N 2.615 123.038 120.400 0.038 0.000 2.506 375 D HA 0.125 4.763 4.640 -0.003 0.000 0.234 375 D C 0.197 176.508 176.300 0.018 0.000 1.143 375 D CA 0.526 54.566 54.000 0.067 0.000 0.871 375 D CB 0.499 41.391 40.800 0.154 0.000 1.190 375 D HN 0.515 nan 8.370 nan 0.000 0.459 376 S N 1.368 117.068 115.700 0.000 0.000 2.433 376 S HA 0.546 5.014 4.470 -0.003 0.000 0.310 376 S C 0.282 174.897 174.600 0.026 0.000 1.097 376 S CA -0.973 57.226 58.200 -0.002 0.000 1.103 376 S CB 1.145 64.324 63.200 -0.036 0.000 0.992 376 S HN 0.305 nan 8.310 nan 0.000 0.469 377 L N 1.770 123.013 121.223 0.033 0.000 2.657 377 L HA 0.574 4.912 4.340 -0.003 0.000 0.240 377 L C -2.296 174.586 176.870 0.020 0.000 1.151 377 L CA -2.822 52.035 54.840 0.028 0.000 0.831 377 L CB 0.098 42.167 42.059 0.016 0.000 1.539 377 L HN 0.361 nan 8.230 nan 0.000 0.511 378 P HA 0.197 nan 4.420 nan 0.000 0.279 378 P C -2.496 174.795 177.300 -0.015 0.000 1.239 378 P CA -1.025 62.081 63.100 0.011 0.000 0.789 378 P CB 0.289 31.997 31.700 0.014 0.000 0.933 379 P HA 0.139 nan 4.420 nan 0.000 0.276 379 P C -0.914 176.339 177.300 -0.078 0.000 1.252 379 P CA -0.169 62.909 63.100 -0.037 0.000 0.802 379 P CB 0.836 32.530 31.700 -0.011 0.000 1.035 380 V N -2.462 117.389 119.914 -0.104 0.000 3.001 380 V HA 0.602 4.720 4.120 -0.003 0.000 0.314 380 V C -0.361 175.622 176.094 -0.184 0.000 1.099 380 V CA -1.167 61.050 62.300 -0.137 0.000 0.989 380 V CB 2.014 33.693 31.823 -0.240 0.000 1.040 380 V HN 0.499 nan 8.190 nan 0.000 0.434 381 K N 2.678 122.949 120.400 -0.214 0.000 2.213 381 K HA 0.490 4.808 4.320 -0.003 0.000 0.270 381 K C -0.896 175.518 176.600 -0.310 0.000 1.002 381 K CA -0.789 55.234 56.287 -0.440 0.000 0.868 381 K CB 1.213 33.449 32.500 -0.439 0.000 1.093 381 K HN 0.699 nan 8.250 nan 0.000 0.454 382 I N 5.147 125.523 120.570 -0.323 0.000 2.496 382 I HA 0.005 4.173 4.170 -0.003 0.000 0.285 382 I C 1.411 177.441 176.117 -0.145 0.000 1.080 382 I CA 0.254 61.439 61.300 -0.191 0.000 1.404 382 I CB 1.141 39.094 38.000 -0.078 0.000 1.403 382 I HN 0.764 nan 8.210 nan 0.000 0.539 383 K N 3.764 124.111 120.400 -0.088 0.000 1.991 383 K HA -0.143 4.176 4.320 -0.003 0.000 0.212 383 K C 0.600 177.187 176.600 -0.023 0.000 1.049 383 K CA 1.448 57.700 56.287 -0.057 0.000 0.932 383 K CB 0.022 32.497 32.500 -0.042 0.000 0.717 383 K HN 0.469 nan 8.250 nan 0.000 0.441 384 N N -0.202 118.504 118.700 0.011 0.000 2.664 384 N HA 0.104 4.842 4.740 -0.003 0.000 0.268 384 N C -0.045 175.487 175.510 0.036 0.000 1.222 384 N CA -0.060 53.003 53.050 0.021 0.000 0.805 384 N CB 0.695 39.202 38.487 0.033 0.000 1.399 384 N HN -0.048 nan 8.380 nan 0.000 0.547 385 L N 1.872 123.083 121.223 -0.020 0.000 2.265 385 L HA -0.005 4.333 4.340 -0.003 0.000 0.215 385 L C 1.524 178.430 176.870 0.060 0.000 1.117 385 L CA 0.990 55.784 54.840 -0.076 0.000 0.782 385 L CB 0.015 41.943 42.059 -0.217 0.000 0.914 385 L HN 0.527 nan 8.230 nan 0.000 0.441 386 L N -0.954 120.300 121.223 0.052 0.000 2.591 386 L HA 0.042 4.381 4.340 -0.003 0.000 0.228 386 L C 0.489 177.401 176.870 0.070 0.000 1.133 386 L CA 0.014 54.892 54.840 0.064 0.000 0.880 386 L CB -0.303 41.781 42.059 0.043 0.000 1.033 386 L HN 0.126 nan 8.230 nan 0.000 0.450 387 D N 0.593 121.044 120.400 0.084 0.000 2.396 387 D HA 0.028 4.666 4.640 -0.003 0.000 0.225 387 D C 0.696 177.054 176.300 0.096 0.000 1.121 387 D CA -0.176 53.872 54.000 0.080 0.000 0.853 387 D CB 0.750 41.597 40.800 0.078 0.000 1.043 387 D HN -0.005 nan 8.370 nan 0.000 0.500 388 N N 2.687 121.429 118.700 0.070 0.000 2.635 388 N HA -0.174 4.564 4.740 -0.003 0.000 0.191 388 N C 1.112 176.658 175.510 0.060 0.000 1.155 388 N CA 0.446 53.528 53.050 0.054 0.000 0.927 388 N CB 0.337 38.842 38.487 0.029 0.000 0.976 388 N HN 0.580 nan 8.380 nan 0.000 0.448 389 E N 0.112 120.358 120.200 0.077 0.000 2.385 389 E HA 0.081 4.430 4.350 -0.003 0.000 0.194 389 E C 1.446 178.122 176.600 0.126 0.000 1.013 389 E CA 0.445 56.894 56.400 0.082 0.000 0.866 389 E CB 0.226 29.967 29.700 0.069 0.000 0.832 389 E HN 0.106 nan 8.360 nan 0.000 0.500 390 I N -0.606 120.064 120.570 0.167 0.000 3.445 390 I HA 0.137 4.306 4.170 -0.003 0.000 0.288 390 I C -0.297 176.030 176.117 0.351 0.000 1.198 390 I CA 0.376 61.843 61.300 0.278 0.000 1.417 390 I CB 0.129 38.300 38.000 0.284 0.000 1.205 390 I HN 0.013 nan 8.210 nan 0.000 0.448 391 Y N 1.532 121.851 120.300 0.032 0.000 2.396 391 Y HA 0.428 4.976 4.550 -0.003 0.000 0.332 391 Y C -0.121 175.731 175.900 -0.080 0.000 1.034 391 Y CA -1.068 56.948 58.100 -0.141 0.000 1.057 391 Y CB 1.417 39.688 38.460 -0.314 0.000 1.220 391 Y HN 0.017 nan 8.280 nan 0.000 0.440 392 T N 2.734 116.982 114.554 -0.510 0.000 2.924 392 T HA 0.454 4.803 4.350 -0.003 0.000 0.291 392 T C 0.941 175.378 174.700 -0.438 0.000 1.045 392 T CA -0.740 61.163 62.100 -0.328 0.000 1.015 392 T CB 1.420 70.185 68.868 -0.170 0.000 1.103 392 T HN 0.644 nan 8.240 nan 0.000 0.496 393 I N 0.553 120.998 120.570 -0.209 0.000 2.226 393 I HA -0.129 4.039 4.170 -0.003 0.000 0.245 393 I C 2.407 178.452 176.117 -0.121 0.000 1.100 393 I CA 1.376 62.596 61.300 -0.132 0.000 1.374 393 I CB -0.255 37.717 38.000 -0.046 0.000 1.057 393 I HN 0.696 nan 8.210 nan 0.000 0.413 394 E N 0.785 120.918 120.200 -0.112 0.000 2.072 394 E HA -0.175 4.173 4.350 -0.003 0.000 0.191 394 E C 1.499 178.043 176.600 -0.094 0.000 0.985 394 E CA 1.227 57.574 56.400 -0.088 0.000 0.801 394 E CB -0.004 29.654 29.700 -0.071 0.000 0.750 394 E HN 0.516 nan 8.360 nan 0.000 0.452 395 E N -1.390 118.732 120.200 -0.130 0.000 2.676 395 E HA 0.279 4.627 4.350 -0.003 0.000 0.225 395 E C 0.811 177.326 176.600 -0.141 0.000 0.944 395 E CA 0.121 56.467 56.400 -0.089 0.000 1.156 395 E CB 1.233 30.908 29.700 -0.042 0.000 1.117 395 E HN 0.205 nan 8.360 nan 0.000 0.523 396 G N 1.768 110.310 108.800 -0.430 0.000 2.561 396 G HA2 -0.384 3.574 3.960 -0.003 0.000 0.289 396 G HA3 -0.384 3.574 3.960 -0.003 0.000 0.289 396 G C 0.489 175.153 174.900 -0.393 0.000 1.169 396 G CA 0.504 45.133 45.100 -0.785 0.000 0.980 396 G HN 0.245 nan 8.290 nan 0.000 0.550 397 F N 1.664 121.732 119.950 0.197 0.000 2.569 397 F HA 0.219 4.745 4.527 -0.003 0.000 0.295 397 F C 1.790 177.690 175.800 0.167 0.000 1.115 397 F CA 0.518 58.688 58.000 0.283 0.000 1.450 397 F CB 0.128 39.369 39.000 0.403 0.000 1.107 397 F HN 0.118 nan 8.300 nan 0.000 0.563 398 N N 2.073 120.952 118.700 0.298 0.000 3.243 398 N HA 0.137 4.875 4.740 -0.003 0.000 0.310 398 N C -0.339 175.238 175.510 0.111 0.000 1.313 398 N CA 0.258 53.427 53.050 0.198 0.000 1.204 398 N CB -0.421 38.185 38.487 0.198 0.000 1.483 398 N HN 0.230 nan 8.380 nan 0.000 0.553 399 I N 0.795 121.432 120.570 0.111 0.000 2.452 399 I HA -0.061 4.107 4.170 -0.003 0.000 0.287 399 I C 1.624 177.772 176.117 0.052 0.000 1.079 399 I CA -0.155 61.182 61.300 0.062 0.000 1.387 399 I CB 0.701 38.742 38.000 0.069 0.000 1.404 399 I HN 0.213 nan 8.210 nan 0.000 0.522 400 S N 2.918 118.634 115.700 0.027 0.000 2.423 400 S HA -0.146 4.322 4.470 -0.003 0.000 0.231 400 S C 1.203 175.815 174.600 0.021 0.000 1.014 400 S CA 0.669 58.880 58.200 0.019 0.000 0.965 400 S CB -0.151 63.051 63.200 0.004 0.000 0.785 400 S HN 0.652 nan 8.310 nan 0.000 0.495 401 D N 2.064 122.478 120.400 0.022 0.000 2.178 401 D HA -0.028 4.611 4.640 -0.003 0.000 0.201 401 D C 1.378 177.697 176.300 0.032 0.000 0.980 401 D CA 0.963 54.977 54.000 0.023 0.000 0.842 401 D CB -0.111 40.702 40.800 0.021 0.000 0.948 401 D HN 0.535 nan 8.370 nan 0.000 0.472 402 K N 0.743 121.170 120.400 0.044 0.000 2.410 402 K HA -0.002 4.316 4.320 -0.003 0.000 0.200 402 K C -0.238 176.393 176.600 0.052 0.000 1.023 402 K CA -0.150 56.169 56.287 0.054 0.000 1.149 402 K CB 0.503 33.050 32.500 0.077 0.000 0.859 402 K HN -0.124 nan 8.250 nan 0.000 0.514 403 D N 0.920 121.345 120.400 0.041 0.000 2.697 403 D HA -0.185 4.453 4.640 -0.003 0.000 0.235 403 D C 0.148 176.475 176.300 0.046 0.000 1.167 403 D CA 0.647 54.668 54.000 0.034 0.000 0.656 403 D CB -0.306 40.511 40.800 0.029 0.000 1.025 403 D HN 0.119 nan 8.370 nan 0.000 0.419 404 M N -0.386 119.250 119.600 0.060 0.000 2.412 404 M HA 0.112 4.590 4.480 -0.003 0.000 0.315 404 M C 1.573 177.919 176.300 0.076 0.000 1.092 404 M CA -0.134 55.216 55.300 0.085 0.000 0.974 404 M CB 0.738 33.415 32.600 0.128 0.000 1.437 404 M HN 0.167 nan 8.290 nan 0.000 0.524 405 E N 1.779 122.002 120.200 0.037 0.000 2.042 405 E HA 0.035 4.383 4.350 -0.003 0.000 0.189 405 E C 0.175 176.740 176.600 -0.059 0.000 0.974 405 E CA 0.662 57.066 56.400 0.007 0.000 0.806 405 E CB 0.424 30.120 29.700 -0.006 0.000 0.769 405 E HN 0.366 nan 8.360 nan 0.000 0.451 406 K N 1.428 121.794 120.400 -0.057 0.000 2.484 406 K HA -0.047 4.271 4.320 -0.003 0.000 0.280 406 K C -0.065 176.467 176.600 -0.114 0.000 1.013 406 K CA 0.500 56.728 56.287 -0.098 0.000 1.029 406 K CB 0.254 32.725 32.500 -0.048 0.000 0.902 406 K HN 0.123 nan 8.250 nan 0.000 0.481 407 E N 1.819 121.874 120.200 -0.241 0.000 2.722 407 E HA -0.282 4.066 4.350 -0.003 0.000 0.265 407 E C -1.017 175.570 176.600 -0.023 0.000 1.081 407 E CA 0.703 56.992 56.400 -0.186 0.000 0.781 407 E CB -1.845 27.864 29.700 0.016 0.000 1.372 407 E HN 0.728 nan 8.360 nan 0.000 0.423 408 Y N -2.669 117.680 120.300 0.082 0.000 3.491 408 Y HA -0.336 4.212 4.550 -0.003 0.000 0.215 408 Y C 1.623 177.614 175.900 0.151 0.000 1.219 408 Y CA 1.005 59.166 58.100 0.103 0.000 1.485 408 Y CB -2.069 36.423 38.460 0.052 0.000 1.450 408 Y HN 0.214 nan 8.280 nan 0.000 0.603 409 R N 0.293 120.904 120.500 0.185 0.000 2.117 409 R HA -0.165 4.173 4.340 -0.003 0.000 0.243 409 R C 2.461 178.819 176.300 0.097 0.000 1.143 409 R CA 1.456 57.635 56.100 0.132 0.000 0.968 409 R CB -0.575 29.777 30.300 0.086 0.000 0.863 409 R HN 0.642 nan 8.270 nan 0.000 0.444 410 G N 0.051 108.936 108.800 0.142 0.000 2.535 410 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.218 410 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.218 410 G C 1.043 175.899 174.900 -0.072 0.000 1.122 410 G CA 0.349 45.554 45.100 0.175 0.000 0.769 410 G HN 0.386 nan 8.290 nan 0.000 0.549 411 Q N -0.544 119.096 119.800 -0.267 0.000 2.247 411 Q HA 0.123 4.461 4.340 -0.003 0.000 0.211 411 Q C 0.243 175.654 176.000 -0.981 0.000 0.861 411 Q CA -0.498 54.680 55.803 -1.041 0.000 0.949 411 Q CB 0.469 28.981 28.738 -0.377 0.000 1.115 411 Q HN 0.219 nan 8.270 nan 0.000 0.507 412 N N 1.653 120.058 118.700 -0.491 0.000 2.430 412 N HA 0.017 4.755 4.740 -0.003 0.000 0.265 412 N C 0.425 175.736 175.510 -0.332 0.000 1.100 412 N CA 0.326 52.982 53.050 -0.657 0.000 0.961 412 N CB 0.873 39.118 38.487 -0.404 0.000 1.075 412 N HN 0.086 nan 8.380 nan 0.000 0.478 413 K N 2.305 122.490 120.400 -0.358 0.000 2.211 413 K HA -0.075 4.244 4.320 -0.003 0.000 0.203 413 K C 1.290 177.966 176.600 0.128 0.000 1.050 413 K CA 1.170 57.437 56.287 -0.033 0.000 0.945 413 K CB 0.144 32.538 32.500 -0.177 0.000 0.732 413 K HN 0.550 nan 8.250 nan 0.000 0.451 414 A N 0.483 123.286 122.820 -0.027 0.000 2.178 414 A HA 0.092 4.410 4.320 -0.003 0.000 0.211 414 A C 1.783 179.387 177.584 0.033 0.000 1.157 414 A CA 0.543 52.591 52.037 0.019 0.000 0.780 414 A CB -0.086 18.903 19.000 -0.019 0.000 0.828 414 A HN 0.131 nan 8.150 nan 0.000 0.476 415 I N -1.665 118.922 120.570 0.028 0.000 3.445 415 I HA 0.083 4.251 4.170 -0.003 0.000 0.288 415 I C 0.645 176.816 176.117 0.089 0.000 1.198 415 I CA 0.247 61.573 61.300 0.045 0.000 1.417 415 I CB 0.278 38.291 38.000 0.021 0.000 1.205 415 I HN 0.167 nan 8.210 nan 0.000 0.448 416 N N 1.502 120.299 118.700 0.161 0.000 3.040 416 N HA 0.145 4.883 4.740 -0.003 0.000 0.305 416 N C 0.588 176.239 175.510 0.234 0.000 1.611 416 N CA 0.038 53.215 53.050 0.212 0.000 1.049 416 N CB 0.217 38.870 38.487 0.276 0.000 1.342 416 N HN 0.072 nan 8.380 nan 0.000 0.497 417 K N -0.369 120.061 120.400 0.051 0.000 2.365 417 K HA -0.059 4.259 4.320 -0.003 0.000 0.199 417 K C 1.376 177.782 176.600 -0.323 0.000 1.045 417 K CA 0.678 56.798 56.287 -0.278 0.000 0.962 417 K CB 0.264 32.633 32.500 -0.219 0.000 0.759 417 K HN 0.448 nan 8.250 nan 0.000 0.469 418 Q N -0.040 119.692 119.800 -0.113 0.000 2.482 418 Q HA 0.047 4.385 4.340 -0.003 0.000 0.209 418 Q C 1.291 177.259 176.000 -0.054 0.000 0.961 418 Q CA 0.914 56.670 55.803 -0.079 0.000 0.945 418 Q CB 0.198 28.932 28.738 -0.006 0.000 1.012 418 Q HN 0.229 nan 8.270 nan 0.000 0.515 419 A N 0.029 122.816 122.820 -0.055 0.000 2.229 419 A HA 0.301 4.619 4.320 -0.003 0.000 0.211 419 A C 0.303 177.807 177.584 -0.134 0.000 1.193 419 A CA 0.068 52.106 52.037 0.003 0.000 0.879 419 A CB 0.164 19.240 19.000 0.127 0.000 0.911 419 A HN 0.479 nan 8.150 nan 0.000 0.492 420 Y N -2.731 117.372 120.300 -0.329 0.000 2.615 420 Y HA 0.807 5.356 4.550 -0.003 0.000 0.341 420 Y C -0.933 174.823 175.900 -0.241 0.000 1.089 420 Y CA -1.470 56.391 58.100 -0.398 0.000 1.049 420 Y CB 0.707 38.733 38.460 -0.723 0.000 1.296 420 Y HN -0.006 nan 8.280 nan 0.000 0.470 421 E N 1.152 121.291 120.200 -0.102 0.000 2.256 421 E HA 0.283 4.631 4.350 -0.003 0.000 0.267 421 E C -1.050 175.584 176.600 0.057 0.000 0.892 421 E CA -1.170 55.170 56.400 -0.099 0.000 0.775 421 E CB 1.839 31.491 29.700 -0.078 0.000 1.207 421 E HN 0.542 nan 8.360 nan 0.000 0.420 422 E N 1.337 121.563 120.200 0.043 0.000 2.371 422 E HA 0.272 4.620 4.350 -0.003 0.000 0.257 422 E C -0.142 176.465 176.600 0.011 0.000 1.134 422 E CA -0.048 56.388 56.400 0.060 0.000 0.919 422 E CB 0.936 30.669 29.700 0.054 0.000 1.025 422 E HN 0.395 nan 8.360 nan 0.000 0.438 423 I N 0.649 121.208 120.570 -0.018 0.000 2.498 423 I HA 0.042 4.210 4.170 -0.003 0.000 0.301 423 I C 0.688 176.825 176.117 0.033 0.000 0.984 423 I CA -0.575 60.693 61.300 -0.053 0.000 1.204 423 I CB 1.661 39.510 38.000 -0.252 0.000 1.362 423 I HN 0.247 nan 8.210 nan 0.000 0.471 424 S N 5.018 120.788 115.700 0.116 0.000 2.466 424 S HA 0.040 4.508 4.470 -0.003 0.000 0.286 424 S C 1.253 175.907 174.600 0.090 0.000 1.221 424 S CA -0.445 57.807 58.200 0.087 0.000 1.091 424 S CB 0.163 63.404 63.200 0.069 0.000 0.956 424 S HN 0.451 nan 8.310 nan 0.000 0.501 425 K N 4.028 124.456 120.400 0.046 0.000 2.160 425 K HA -0.133 4.185 4.320 -0.003 0.000 0.206 425 K C 1.067 177.693 176.600 0.044 0.000 1.047 425 K CA 1.376 57.699 56.287 0.060 0.000 0.930 425 K CB -0.203 32.318 32.500 0.035 0.000 0.720 425 K HN 0.758 nan 8.250 nan 0.000 0.450 426 E N 0.017 120.182 120.200 -0.059 0.000 2.405 426 E HA -0.091 4.258 4.350 -0.003 0.000 0.194 426 E C 0.342 176.864 176.600 -0.129 0.000 1.149 426 E CA 0.343 56.668 56.400 -0.124 0.000 0.933 426 E CB -0.225 29.351 29.700 -0.207 0.000 1.028 426 E HN 0.536 nan 8.360 nan 0.000 0.487 427 H N -1.292 117.863 119.070 0.142 0.000 3.540 427 H HA 0.230 4.784 4.556 -0.003 0.000 0.259 427 H C -0.050 175.424 175.328 0.242 0.000 1.197 427 H CA -0.385 55.760 56.048 0.160 0.000 1.136 427 H CB 0.916 30.828 29.762 0.250 0.000 1.605 427 H HN -0.037 nan 8.280 nan 0.000 0.657 428 L N 1.238 122.655 121.223 0.324 0.000 2.344 428 L HA 0.744 5.082 4.340 -0.003 0.000 0.272 428 L C -0.287 176.696 176.870 0.188 0.000 1.035 428 L CA -0.894 54.119 54.840 0.287 0.000 0.807 428 L CB 1.705 43.893 42.059 0.214 0.000 1.237 428 L HN 0.062 nan 8.230 nan 0.000 0.442 429 A N 2.339 125.279 122.820 0.201 0.000 2.427 429 A HA 0.828 5.147 4.320 -0.003 0.000 0.298 429 A C -1.238 176.429 177.584 0.138 0.000 1.036 429 A CA -0.481 51.635 52.037 0.132 0.000 0.701 429 A CB 1.731 20.789 19.000 0.096 0.000 1.250 429 A HN 0.366 nan 8.150 nan 0.000 0.412 430 V N 0.711 120.687 119.914 0.104 0.000 2.925 430 V HA 0.454 4.573 4.120 -0.003 0.000 0.311 430 V C -0.822 175.353 176.094 0.136 0.000 1.104 430 V CA -0.871 61.498 62.300 0.116 0.000 0.954 430 V CB 1.643 33.516 31.823 0.084 0.000 1.022 430 V HN 0.871 nan 8.190 nan 0.000 0.427 431 Y N 3.274 123.580 120.300 0.011 0.000 2.402 431 Y HA 0.508 5.056 4.550 -0.003 0.000 0.333 431 Y C 0.151 176.041 175.900 -0.017 0.000 1.076 431 Y CA -0.187 57.910 58.100 -0.006 0.000 1.299 431 Y CB 0.447 38.907 38.460 -0.000 0.000 1.197 431 Y HN 0.651 nan 8.280 nan 0.000 0.517 432 K N 6.359 126.525 120.400 -0.390 0.000 2.328 432 K HA 0.544 4.862 4.320 -0.003 0.000 0.246 432 K C -1.476 174.784 176.600 -0.566 0.000 0.955 432 K CA -1.071 54.983 56.287 -0.388 0.000 0.817 432 K CB 2.009 34.389 32.500 -0.200 0.000 1.208 432 K HN 0.439 nan 8.250 nan 0.000 0.432 433 I N 2.398 122.711 120.570 -0.428 0.000 2.354 433 I HA 0.153 4.321 4.170 -0.003 0.000 0.286 433 I C -0.163 175.791 176.117 -0.271 0.000 1.007 433 I CA -0.314 60.767 61.300 -0.366 0.000 1.167 433 I CB 1.225 39.044 38.000 -0.302 0.000 1.320 433 I HN 0.648 nan 8.210 nan 0.000 0.458 434 Q N 6.948 126.598 119.800 -0.250 0.000 2.369 434 Q HA 0.328 4.666 4.340 -0.003 0.000 0.247 434 Q C -0.693 175.151 176.000 -0.260 0.000 1.083 434 Q CA -0.285 55.378 55.803 -0.233 0.000 0.905 434 Q CB 0.561 29.169 28.738 -0.217 0.000 1.305 434 Q HN 0.534 nan 8.270 nan 0.000 0.465 435 M N 3.708 123.171 119.600 -0.229 0.000 2.135 435 M HA 0.222 4.700 4.480 -0.003 0.000 0.345 435 M C -0.898 175.264 176.300 -0.229 0.000 1.340 435 M CA -0.390 54.779 55.300 -0.219 0.000 1.162 435 M CB 0.388 32.913 32.600 -0.126 0.000 1.570 435 M HN 0.577 nan 8.290 nan 0.000 0.454 436 c N 2.971 121.391 118.600 -0.300 0.000 2.397 436 c HA 0.513 5.081 4.570 -0.003 0.000 0.343 436 c C 0.446 174.509 174.090 -0.044 0.000 1.188 436 c CA -1.094 55.107 56.329 -0.213 0.000 1.992 436 c CB 1.480 43.782 42.510 -0.347 0.000 2.358 436 c HN 0.712 nan 8.230 nan 0.000 0.518 437 K N 1.018 121.436 120.400 0.030 0.000 2.110 437 K HA 0.348 4.666 4.320 -0.003 0.000 0.263 437 K C 0.159 176.847 176.600 0.146 0.000 0.975 437 K CA 0.024 56.356 56.287 0.074 0.000 0.895 437 K CB 1.110 33.631 32.500 0.035 0.000 1.060 437 K HN 0.795 nan 8.250 nan 0.000 0.448 438 S N 1.025 116.793 115.700 0.113 0.000 3.829 438 S HA 0.212 4.681 4.470 -0.003 0.000 0.250 438 S C 0.088 174.703 174.600 0.025 0.000 1.263 438 S CA -0.599 57.633 58.200 0.054 0.000 0.955 438 S CB -0.781 62.413 63.200 -0.011 0.000 1.611 438 S HN 0.304 nan 8.310 nan 0.000 0.483 444 I N -0.241 120.325 120.570 -0.007 0.000 2.627 444 I HA 0.693 4.862 4.170 -0.003 0.000 0.288 444 I C -0.898 175.180 176.117 -0.064 0.000 1.202 444 I CA -0.637 60.644 61.300 -0.032 0.000 1.050 444 I CB 1.327 39.310 38.000 -0.028 0.000 1.264 444 I HN 0.768 nan 8.210 nan 0.000 0.429 445 c N 6.715 125.255 118.600 -0.101 0.000 2.712 445 c HA 0.735 5.303 4.570 -0.003 0.000 0.308 445 c C -0.350 173.594 174.090 -0.244 0.000 1.201 445 c CA -0.991 55.241 56.329 -0.161 0.000 1.554 445 c CB 1.454 43.868 42.510 -0.160 0.000 2.117 445 c HN 0.620 nan 8.230 nan 0.000 0.480 446 I N 1.627 122.012 120.570 -0.308 0.000 2.509 446 I HA 0.336 4.504 4.170 -0.003 0.000 0.293 446 I C -0.935 175.020 176.117 -0.270 0.000 1.020 446 I CA -0.140 60.891 61.300 -0.449 0.000 1.088 446 I CB 1.629 39.244 38.000 -0.642 0.000 1.267 446 I HN 0.548 nan 8.210 nan 0.000 0.430 447 D N 5.239 125.515 120.400 -0.207 0.000 2.225 447 D HA 0.463 5.102 4.640 -0.003 0.000 0.248 447 D C -0.687 175.543 176.300 -0.118 0.000 1.096 447 D CA -0.018 53.893 54.000 -0.149 0.000 0.863 447 D CB 2.316 43.056 40.800 -0.100 0.000 1.156 447 D HN 0.037 nan 8.370 nan 0.000 0.450 448 V N 2.738 122.554 119.914 -0.162 0.000 2.577 448 V HA 0.160 4.278 4.120 -0.003 0.000 0.303 448 V C -0.320 175.675 176.094 -0.167 0.000 1.042 448 V CA -1.047 61.157 62.300 -0.160 0.000 0.872 448 V CB 2.200 33.816 31.823 -0.345 0.000 0.998 448 V HN 0.365 nan 8.190 nan 0.000 0.423 449 D N 3.057 123.407 120.400 -0.083 0.000 2.383 449 D HA 0.038 4.676 4.640 -0.003 0.000 0.252 449 D C 1.146 177.406 176.300 -0.067 0.000 1.166 449 D CA 0.254 54.217 54.000 -0.063 0.000 0.879 449 D CB 0.924 41.727 40.800 0.005 0.000 1.164 449 D HN 0.654 nan 8.370 nan 0.000 0.462 450 N N 2.564 121.219 118.700 -0.075 0.000 2.182 450 N HA -0.261 4.477 4.740 -0.003 0.000 0.192 450 N C 1.057 176.604 175.510 0.062 0.000 1.007 450 N CA 1.621 54.672 53.050 0.002 0.000 0.873 450 N CB 0.186 38.800 38.487 0.212 0.000 0.998 450 N HN 0.464 nan 8.380 nan 0.000 0.436 451 E N -0.656 119.583 120.200 0.066 0.000 2.153 451 E HA -0.164 4.184 4.350 -0.003 0.000 0.194 451 E C 0.843 177.491 176.600 0.081 0.000 0.988 451 E CA 1.126 57.571 56.400 0.075 0.000 0.811 451 E CB -0.125 29.611 29.700 0.060 0.000 0.746 451 E HN 0.539 nan 8.360 nan 0.000 0.466 452 D N 0.657 121.094 120.400 0.062 0.000 2.347 452 D HA 0.004 4.642 4.640 -0.003 0.000 0.215 452 D C 0.932 177.285 176.300 0.089 0.000 0.976 452 D CA 0.446 54.496 54.000 0.082 0.000 0.884 452 D CB 0.167 41.037 40.800 0.117 0.000 0.915 452 D HN 0.142 nan 8.370 nan 0.000 0.526 453 L N 0.067 121.339 121.223 0.081 0.000 2.475 453 L HA 0.159 4.497 4.340 -0.003 0.000 0.250 453 L C 0.379 177.312 176.870 0.104 0.000 1.224 453 L CA -0.471 54.462 54.840 0.156 0.000 0.821 453 L CB 0.037 42.180 42.059 0.140 0.000 1.141 453 L HN -0.210 nan 8.230 nan 0.000 0.494 454 F N 0.376 120.500 119.950 0.290 0.000 2.427 454 F HA 0.192 4.723 4.527 0.006 0.000 0.352 454 F C 0.138 176.050 175.800 0.187 0.000 1.100 454 F CA -0.071 58.067 58.000 0.230 0.000 1.191 454 F CB 0.268 39.393 39.000 0.209 0.000 1.128 454 F HN 0.108 nan 8.300 nan 0.000 0.533 455 F N 5.349 125.444 119.950 0.241 0.000 2.405 455 F HA 0.617 5.142 4.527 -0.003 0.000 0.355 455 F C -0.644 175.230 175.800 0.122 0.000 1.121 455 F CA -0.754 57.346 58.000 0.168 0.000 1.112 455 F CB 0.301 39.414 39.000 0.189 0.000 1.126 455 F HN 0.250 nan 8.300 nan 0.000 0.481 456 I N 6.935 127.261 120.570 -0.406 0.000 2.476 456 I HA 0.345 4.513 4.170 -0.003 0.000 0.281 456 I C -0.154 175.753 176.117 -0.349 0.000 1.040 456 I CA -0.954 60.224 61.300 -0.204 0.000 1.094 456 I CB 1.445 39.371 38.000 -0.123 0.000 1.219 456 I HN 0.749 nan 8.210 nan 0.000 0.450 457 A N 5.070 127.824 122.820 -0.110 0.000 2.546 457 A HA 0.021 4.340 4.320 -0.003 0.000 0.243 457 A C 0.172 177.796 177.584 0.066 0.000 1.063 457 A CA 0.211 52.256 52.037 0.014 0.000 0.757 457 A CB 0.146 19.340 19.000 0.324 0.000 0.991 457 A HN 0.784 nan 8.150 nan 0.000 0.503 458 D N 1.803 122.189 120.400 -0.024 0.000 2.339 458 D HA 0.048 4.686 4.640 -0.003 0.000 0.245 458 D C 1.066 177.453 176.300 0.145 0.000 1.115 458 D CA -0.256 53.758 54.000 0.023 0.000 0.917 458 D CB 0.768 41.537 40.800 -0.051 0.000 1.192 458 D HN 0.607 nan 8.370 nan 0.000 0.428 459 K N 1.993 122.509 120.400 0.193 0.000 2.089 459 K HA -0.209 4.109 4.320 -0.003 0.000 0.210 459 K C 1.480 178.207 176.600 0.211 0.000 1.048 459 K CA 1.254 57.709 56.287 0.280 0.000 0.926 459 K CB 0.020 32.624 32.500 0.174 0.000 0.714 459 K HN 0.431 nan 8.250 nan 0.000 0.448 460 N N 0.510 119.246 118.700 0.060 0.000 2.334 460 N HA -0.115 4.624 4.740 -0.003 0.000 0.187 460 N C 1.429 176.862 175.510 -0.128 0.000 1.016 460 N CA 1.110 54.156 53.050 -0.008 0.000 0.879 460 N CB -0.149 38.325 38.487 -0.022 0.000 0.965 460 N HN 0.150 nan 8.380 nan 0.000 0.438 461 S N 0.089 115.583 115.700 -0.344 0.000 2.474 461 S HA -0.004 4.464 4.470 -0.003 0.000 0.235 461 S C 0.355 174.453 174.600 -0.837 0.000 0.997 461 S CA 0.654 58.453 58.200 -0.668 0.000 0.949 461 S CB -0.100 62.516 63.200 -0.973 0.000 0.766 461 S HN 0.201 nan 8.310 nan 0.000 0.517 462 F N 1.073 121.048 119.950 0.042 0.000 2.450 462 F HA 0.495 5.021 4.527 -0.003 0.000 0.332 462 F C 0.588 176.406 175.800 0.029 0.000 1.093 462 F CA -1.193 56.830 58.000 0.039 0.000 1.003 462 F CB 0.990 40.012 39.000 0.037 0.000 1.151 462 F HN -0.213 nan 8.300 nan 0.000 0.474 463 S N 0.616 116.425 115.700 0.182 0.000 2.549 463 S HA 0.033 4.501 4.470 -0.003 0.000 0.279 463 S C 0.265 174.923 174.600 0.096 0.000 1.321 463 S CA -0.372 57.893 58.200 0.108 0.000 1.054 463 S CB 0.395 63.649 63.200 0.090 0.000 0.899 463 S HN 0.727 nan 8.310 nan 0.000 0.497 464 D N 2.152 122.589 120.400 0.063 0.000 2.463 464 D HA 0.208 4.846 4.640 -0.003 0.000 0.224 464 D C 0.472 176.786 176.300 0.023 0.000 1.174 464 D CA -0.144 53.881 54.000 0.041 0.000 0.829 464 D CB 0.061 40.884 40.800 0.038 0.000 0.993 464 D HN 0.527 nan 8.370 nan 0.000 0.497 465 D N -0.023 120.392 120.400 0.025 0.000 2.354 465 D HA -0.107 4.531 4.640 -0.003 0.000 0.216 465 D C 1.869 178.166 176.300 -0.005 0.000 0.970 465 D CA 0.476 54.483 54.000 0.013 0.000 0.905 465 D CB 0.232 41.042 40.800 0.017 0.000 0.903 465 D HN 0.417 nan 8.370 nan 0.000 0.508 466 L N 0.571 121.784 121.223 -0.017 0.000 2.376 466 L HA -0.082 4.256 4.340 -0.003 0.000 0.219 466 L C 2.177 179.020 176.870 -0.045 0.000 1.133 466 L CA 0.703 55.513 54.840 -0.050 0.000 0.816 466 L CB -0.168 41.842 42.059 -0.082 0.000 0.933 466 L HN 0.022 nan 8.230 nan 0.000 0.449 467 S N -1.688 114.002 115.700 -0.017 0.000 2.562 467 S HA 0.039 4.508 4.470 -0.003 0.000 0.221 467 S C 0.794 175.405 174.600 0.019 0.000 0.975 467 S CA -0.177 58.023 58.200 -0.001 0.000 0.918 467 S CB -0.113 63.091 63.200 0.006 0.000 0.772 467 S HN 0.244 nan 8.310 nan 0.000 0.531 468 K N 2.092 122.501 120.400 0.016 0.000 2.154 468 K HA 0.307 4.625 4.320 -0.003 0.000 0.264 468 K C -0.129 176.496 176.600 0.041 0.000 1.008 468 K CA -0.621 55.680 56.287 0.023 0.000 0.937 468 K CB 0.362 32.868 32.500 0.010 0.000 1.002 468 K HN 0.248 nan 8.250 nan 0.000 0.469 469 N N 1.882 120.610 118.700 0.047 0.000 2.347 469 N HA 0.145 4.883 4.740 -0.003 0.000 0.253 469 N C -0.491 175.015 175.510 -0.005 0.000 1.274 469 N CA 0.040 53.131 53.050 0.068 0.000 0.941 469 N CB 0.727 39.252 38.487 0.065 0.000 1.200 469 N HN 0.473 nan 8.380 nan 0.000 0.514 470 E N 0.290 120.444 120.200 -0.075 0.000 2.304 470 E HA 0.242 4.590 4.350 -0.003 0.000 0.277 470 E C -0.879 175.553 176.600 -0.279 0.000 0.898 470 E CA -0.529 55.735 56.400 -0.228 0.000 0.764 470 E CB 2.394 31.853 29.700 -0.402 0.000 1.216 470 E HN 0.252 nan 8.360 nan 0.000 0.419 471 R N 2.396 122.783 120.500 -0.189 0.000 2.265 471 R HA 0.366 4.704 4.340 -0.003 0.000 0.314 471 R C -0.148 176.042 176.300 -0.184 0.000 1.053 471 R CA -0.479 55.533 56.100 -0.146 0.000 0.931 471 R CB 0.692 30.947 30.300 -0.076 0.000 1.024 471 R HN 0.315 nan 8.270 nan 0.000 0.457 472 I N 3.316 123.784 120.570 -0.169 0.000 2.339 472 I HA 0.292 4.461 4.170 -0.003 0.000 0.290 472 I C 0.238 176.343 176.117 -0.021 0.000 0.994 472 I CA -0.247 60.973 61.300 -0.134 0.000 1.191 472 I CB 1.317 39.236 38.000 -0.134 0.000 1.343 472 I HN 0.593 nan 8.210 nan 0.000 0.458 473 E N 3.713 123.928 120.200 0.025 0.000 2.359 473 E HA 0.230 4.579 4.350 -0.003 0.000 0.266 473 E C 0.042 176.720 176.600 0.131 0.000 0.920 473 E CA -0.639 55.870 56.400 0.180 0.000 0.788 473 E CB 1.856 31.647 29.700 0.152 0.000 1.279 473 E HN 0.546 nan 8.360 nan 0.000 0.438 474 Y N 0.504 120.892 120.300 0.146 0.000 2.465 474 Y HA -0.180 4.369 4.550 -0.003 0.000 0.289 474 Y C 1.101 176.998 175.900 -0.006 0.000 1.150 474 Y CA 1.456 59.562 58.100 0.009 0.000 1.293 474 Y CB -0.430 37.927 38.460 -0.172 0.000 0.977 474 Y HN 0.415 nan 8.280 nan 0.000 0.556 475 N N 0.230 118.483 118.700 -0.746 0.000 2.143 475 N HA -0.082 4.656 4.740 -0.003 0.000 0.190 475 N C 0.021 175.377 175.510 -0.257 0.000 1.058 475 N CA 1.066 53.736 53.050 -0.633 0.000 0.860 475 N CB -0.336 37.838 38.487 -0.521 0.000 1.044 475 N HN 0.134 nan 8.380 nan 0.000 0.445 476 T N 2.144 116.596 114.554 -0.170 0.000 2.414 476 T HA -0.182 4.166 4.350 -0.003 0.000 0.189 476 T C -0.198 174.467 174.700 -0.059 0.000 1.023 476 T CA 0.891 62.933 62.100 -0.097 0.000 1.182 476 T CB -0.268 68.549 68.868 -0.085 0.000 0.980 476 T HN 0.326 nan 8.240 nan 0.000 0.432 477 Q N 1.070 120.849 119.800 -0.035 0.000 2.484 477 Q HA 0.688 5.026 4.340 -0.003 0.000 0.285 477 Q C -0.970 175.050 176.000 0.032 0.000 1.097 477 Q CA -1.166 54.641 55.803 0.007 0.000 0.802 477 Q CB 1.708 30.450 28.738 0.006 0.000 1.444 477 Q HN 0.431 nan 8.270 nan 0.000 0.429 478 S N 1.270 117.024 115.700 0.091 0.000 2.601 478 S HA 0.376 4.844 4.470 -0.003 0.000 0.271 478 S C -0.579 174.097 174.600 0.126 0.000 1.305 478 S CA -0.618 57.666 58.200 0.140 0.000 1.022 478 S CB 0.191 63.594 63.200 0.338 0.000 0.940 478 S HN 0.515 nan 8.310 nan 0.000 0.525 479 N N 1.776 120.470 118.700 -0.009 0.000 2.461 479 N HA 0.327 5.065 4.740 -0.003 0.000 0.284 479 N C -1.900 173.482 175.510 -0.213 0.000 1.049 479 N CA -0.295 52.727 53.050 -0.047 0.000 0.889 479 N CB 1.403 39.826 38.487 -0.107 0.000 1.365 479 N HN 0.455 nan 8.380 nan 0.000 0.499 480 Y N 1.126 121.399 120.300 -0.045 0.000 2.361 480 Y HA 0.514 5.062 4.550 -0.003 0.000 0.337 480 Y C 0.263 176.126 175.900 -0.063 0.000 0.965 480 Y CA -0.674 57.407 58.100 -0.031 0.000 1.091 480 Y CB 1.778 40.232 38.460 -0.010 0.000 1.182 480 Y HN 0.324 nan 8.280 nan 0.000 0.450 481 I N 2.843 123.448 120.570 0.059 0.000 2.321 481 I HA 0.241 4.409 4.170 -0.003 0.000 0.291 481 I C -0.236 175.893 176.117 0.020 0.000 0.998 481 I CA -0.791 60.532 61.300 0.038 0.000 1.227 481 I CB 1.485 39.521 38.000 0.061 0.000 1.368 481 I HN 0.537 nan 8.210 nan 0.000 0.466 482 E N 4.921 125.124 120.200 0.004 0.000 2.129 482 E HA 0.126 4.475 4.350 -0.003 0.000 0.283 482 E C 0.130 176.439 176.600 -0.485 0.000 1.080 482 E CA -0.046 56.281 56.400 -0.122 0.000 0.867 482 E CB 0.374 30.056 29.700 -0.030 0.000 1.056 482 E HN 0.344 nan 8.360 nan 0.000 0.404 483 N N 3.039 121.330 118.700 -0.682 0.000 2.471 483 N HA 0.045 4.783 4.740 -0.003 0.000 0.205 483 N C -0.965 174.038 175.510 -0.844 0.000 1.251 483 N CA 0.212 52.441 53.050 -1.369 0.000 0.843 483 N CB 0.089 38.169 38.487 -0.678 0.000 1.044 483 N HN 0.482 nan 8.380 nan 0.000 0.461 484 D N -0.924 119.208 120.400 -0.447 0.000 2.423 484 D HA 0.561 5.199 4.640 -0.003 0.000 0.235 484 D C -1.509 174.860 176.300 0.116 0.000 1.011 484 D CA -0.740 53.187 54.000 -0.121 0.000 0.963 484 D CB 1.259 41.996 40.800 -0.104 0.000 1.349 484 D HN -0.106 nan 8.370 nan 0.000 0.508 485 F N 1.378 121.308 119.950 -0.034 0.000 2.767 485 F HA 0.298 4.823 4.527 -0.003 0.000 0.341 485 F C -2.443 173.329 175.800 -0.047 0.000 1.192 485 F CA -1.446 56.549 58.000 -0.009 0.000 1.127 485 F CB 1.710 40.730 39.000 0.033 0.000 1.388 485 F HN 0.134 nan 8.300 nan 0.000 0.574 486 P HA 0.027 nan 4.420 nan 0.000 0.258 486 P C 0.930 178.109 177.300 -0.202 0.000 1.214 486 P CA 0.284 63.192 63.100 -0.320 0.000 0.872 486 P CB 0.646 32.124 31.700 -0.370 0.000 0.890 487 I N 3.853 124.394 120.570 -0.049 0.000 2.567 487 I HA -0.262 3.906 4.170 -0.003 0.000 0.257 487 I C 1.890 177.983 176.117 -0.040 0.000 1.184 487 I CA 1.178 62.470 61.300 -0.012 0.000 1.451 487 I CB -0.396 37.587 38.000 -0.030 0.000 1.089 487 I HN 0.259 nan 8.210 nan 0.000 0.441 488 N N 0.781 119.443 118.700 -0.063 0.000 2.080 488 N HA -0.258 4.480 4.740 -0.003 0.000 0.189 488 N C 1.701 177.181 175.510 -0.051 0.000 1.036 488 N CA 1.819 54.836 53.050 -0.055 0.000 0.846 488 N CB -0.851 37.599 38.487 -0.062 0.000 1.015 488 N HN 0.638 nan 8.380 nan 0.000 0.423 489 E N 1.098 121.248 120.200 -0.083 0.000 2.150 489 E HA -0.131 4.218 4.350 -0.003 0.000 0.193 489 E C 2.092 178.694 176.600 0.004 0.000 0.985 489 E CA 0.525 56.887 56.400 -0.062 0.000 0.814 489 E CB -0.278 29.348 29.700 -0.124 0.000 0.752 489 E HN 0.174 nan 8.360 nan 0.000 0.466 490 L N 1.427 122.678 121.223 0.047 0.000 2.046 490 L HA -0.084 4.254 4.340 -0.003 0.000 0.208 490 L C 2.167 179.059 176.870 0.036 0.000 1.077 490 L CA 1.623 56.543 54.840 0.134 0.000 0.747 490 L CB -0.306 41.860 42.059 0.178 0.000 0.896 490 L HN 0.238 nan 8.230 nan 0.000 0.432 491 I N -1.208 119.363 120.570 0.002 0.000 2.439 491 I HA -0.234 3.935 4.170 -0.003 0.000 0.251 491 I C 2.029 178.153 176.117 0.012 0.000 1.139 491 I CA 0.919 62.221 61.300 0.002 0.000 1.438 491 I CB -0.144 37.848 38.000 -0.013 0.000 1.085 491 I HN 0.225 nan 8.210 nan 0.000 0.427 492 L N -0.158 121.069 121.223 0.007 0.000 2.567 492 L HA 0.066 4.404 4.340 -0.003 0.000 0.225 492 L C 0.388 177.270 176.870 0.020 0.000 1.119 492 L CA -0.166 54.678 54.840 0.007 0.000 0.871 492 L CB -0.353 41.703 42.059 -0.005 0.000 1.036 492 L HN 0.140 nan 8.230 nan 0.000 0.459 493 D N 0.011 120.433 120.400 0.035 0.000 2.583 493 D HA -0.097 4.541 4.640 -0.003 0.000 0.232 493 D C 1.076 177.403 176.300 0.045 0.000 1.128 493 D CA 0.703 54.733 54.000 0.051 0.000 0.859 493 D CB 1.100 41.949 40.800 0.083 0.000 1.169 493 D HN -0.076 nan 8.370 nan 0.000 0.481 494 T N 2.169 116.749 114.554 0.043 0.000 3.037 494 T HA 0.033 4.381 4.350 -0.003 0.000 0.251 494 T C 0.611 175.336 174.700 0.042 0.000 1.079 494 T CA 0.224 62.347 62.100 0.037 0.000 1.067 494 T CB 0.223 69.109 68.868 0.030 0.000 0.948 494 T HN 0.426 nan 8.240 nan 0.000 0.496 495 D N 0.065 120.497 120.400 0.053 0.000 2.474 495 D HA 0.207 4.845 4.640 -0.003 0.000 0.213 495 D C 1.648 177.984 176.300 0.060 0.000 1.120 495 D CA -0.077 53.956 54.000 0.055 0.000 0.836 495 D CB 0.569 41.406 40.800 0.062 0.000 1.019 495 D HN 0.164 nan 8.370 nan 0.000 0.507 496 L N 1.176 122.439 121.223 0.067 0.000 1.970 496 L HA -0.089 4.250 4.340 -0.003 0.000 0.212 496 L C 0.614 177.517 176.870 0.055 0.000 1.071 496 L CA 1.436 56.318 54.840 0.069 0.000 0.751 496 L CB -0.085 42.026 42.059 0.087 0.000 0.889 496 L HN -0.096 nan 8.230 nan 0.000 0.432 497 I N 0.772 121.373 120.570 0.051 0.000 2.421 497 I HA 0.015 4.184 4.170 -0.003 0.000 0.291 497 I C 0.901 177.032 176.117 0.022 0.000 1.089 497 I CA 0.354 61.676 61.300 0.035 0.000 1.354 497 I CB -0.505 37.516 38.000 0.035 0.000 1.413 497 I HN 0.176 nan 8.210 nan 0.000 0.513 498 S N 6.580 122.287 115.700 0.010 0.000 2.559 498 S HA 0.036 4.505 4.470 -0.003 0.000 0.282 498 S C 0.870 175.462 174.600 -0.013 0.000 1.336 498 S CA 0.098 58.294 58.200 -0.006 0.000 1.037 498 S CB 0.296 63.476 63.200 -0.033 0.000 0.853 498 S HN 0.763 nan 8.310 nan 0.000 0.523 499 K N 2.707 123.097 120.400 -0.016 0.000 2.706 499 K HA 0.321 4.639 4.320 -0.003 0.000 0.203 499 K C -0.698 175.884 176.600 -0.030 0.000 1.102 499 K CA -0.578 55.698 56.287 -0.018 0.000 1.058 499 K CB 0.152 32.650 32.500 -0.004 0.000 0.779 499 K HN 0.321 nan 8.250 nan 0.000 0.483 500 I N 2.108 122.648 120.570 -0.051 0.000 2.437 500 I HA 0.205 4.373 4.170 -0.003 0.000 0.298 500 I C 0.530 176.586 176.117 -0.102 0.000 0.984 500 I CA -1.008 60.249 61.300 -0.072 0.000 1.214 500 I CB 1.299 39.246 38.000 -0.090 0.000 1.365 500 I HN 0.322 nan 8.210 nan 0.000 0.469 501 E N 3.656 123.794 120.200 -0.102 0.000 2.608 501 E HA -0.078 4.270 4.350 -0.003 0.000 0.259 501 E C -0.864 175.629 176.600 -0.179 0.000 0.951 501 E CA -0.236 56.095 56.400 -0.116 0.000 0.945 501 E CB 0.542 30.180 29.700 -0.102 0.000 0.916 501 E HN 0.331 nan 8.360 nan 0.000 0.477 502 L N 7.832 128.962 121.223 -0.155 0.000 2.278 502 L HA 0.358 4.696 4.340 -0.003 0.000 0.287 502 L C -2.297 174.456 176.870 -0.195 0.000 1.072 502 L CA -1.740 52.985 54.840 -0.192 0.000 0.819 502 L CB 0.681 42.666 42.059 -0.124 0.000 1.176 502 L HN 0.475 nan 8.230 nan 0.000 0.435 503 P HA 0.119 nan 4.420 nan 0.000 0.269 503 P C -0.896 176.384 177.300 -0.034 0.000 1.217 503 P CA -0.157 62.800 63.100 -0.238 0.000 0.783 503 P CB 0.319 31.688 31.700 -0.552 0.000 0.898 504 S N 0.162 115.897 115.700 0.059 0.000 2.562 504 S HA 0.041 4.509 4.470 -0.003 0.000 0.281 504 S C 0.959 175.696 174.600 0.228 0.000 1.333 504 S CA -0.294 57.971 58.200 0.108 0.000 1.052 504 S CB 0.430 63.685 63.200 0.092 0.000 0.884 504 S HN 0.577 nan 8.310 nan 0.000 0.506 505 E N 1.767 122.092 120.200 0.208 0.000 2.482 505 E HA -0.019 4.329 4.350 -0.003 0.000 0.196 505 E C -0.025 176.629 176.600 0.090 0.000 1.047 505 E CA 0.026 56.593 56.400 0.277 0.000 0.869 505 E CB -0.155 29.692 29.700 0.245 0.000 0.836 505 E HN 0.516 nan 8.360 nan 0.000 0.520 506 N N 1.176 119.906 118.700 0.051 0.000 2.529 506 N HA 0.169 4.908 4.740 -0.003 0.000 0.278 506 N C -0.493 174.934 175.510 -0.139 0.000 1.146 506 N CA 0.343 53.356 53.050 -0.060 0.000 0.980 506 N CB 1.800 40.281 38.487 -0.011 0.000 1.124 506 N HN 0.116 nan 8.380 nan 0.000 0.458 507 T N -0.250 114.148 114.554 -0.259 0.000 2.653 507 T HA 0.131 4.479 4.350 -0.003 0.000 0.306 507 T C -1.428 173.149 174.700 -0.206 0.000 1.426 507 T CA -0.599 61.341 62.100 -0.268 0.000 1.008 507 T CB 0.637 69.150 68.868 -0.592 0.000 1.692 507 T HN 0.206 nan 8.240 nan 0.000 0.483 508 E N 1.743 121.846 120.200 -0.162 0.000 2.398 508 E HA 0.346 4.694 4.350 -0.003 0.000 0.263 508 E C 0.044 176.557 176.600 -0.145 0.000 1.046 508 E CA 0.118 56.446 56.400 -0.119 0.000 0.908 508 E CB 0.885 30.536 29.700 -0.082 0.000 0.963 508 E HN 0.580 nan 8.360 nan 0.000 0.431 509 S N 1.343 116.978 115.700 -0.107 0.000 2.568 509 S HA 0.021 4.489 4.470 -0.003 0.000 0.282 509 S C 0.296 174.808 174.600 -0.147 0.000 1.338 509 S CA -0.476 57.663 58.200 -0.102 0.000 1.045 509 S CB 0.301 63.474 63.200 -0.045 0.000 0.873 509 S HN 0.337 nan 8.310 nan 0.000 0.516 510 L N 3.151 124.257 121.223 -0.196 0.000 2.331 510 L HA 0.351 4.689 4.340 -0.003 0.000 0.278 510 L C 1.230 177.770 176.870 -0.551 0.000 1.106 510 L CA 0.622 55.255 54.840 -0.346 0.000 0.824 510 L CB 0.844 42.678 42.059 -0.375 0.000 1.142 510 L HN 0.880 nan 8.230 nan 0.000 0.443 511 T N -1.144 113.100 114.554 -0.517 0.000 2.955 511 T HA 0.175 4.523 4.350 -0.003 0.000 0.251 511 T C 0.368 174.759 174.700 -0.516 0.000 1.002 511 T CA 0.025 61.850 62.100 -0.458 0.000 0.970 511 T CB -0.143 68.627 68.868 -0.164 0.000 1.091 511 T HN 0.519 nan 8.240 nan 0.000 0.495 512 D N 0.967 121.095 120.400 -0.454 0.000 2.479 512 D HA 0.281 4.920 4.640 -0.003 0.000 0.218 512 D C -0.419 175.697 176.300 -0.307 0.000 1.131 512 D CA -1.276 52.567 54.000 -0.260 0.000 0.916 512 D CB -0.203 40.509 40.800 -0.147 0.000 1.022 512 D HN 0.294 nan 8.370 nan 0.000 0.515 513 F N 1.579 121.521 119.950 -0.014 0.000 2.804 513 F HA 0.104 4.629 4.527 -0.003 0.000 0.303 513 F C 1.229 177.024 175.800 -0.009 0.000 1.154 513 F CA -0.570 57.422 58.000 -0.014 0.000 1.401 513 F CB -0.447 38.545 39.000 -0.013 0.000 1.106 513 F HN 0.206 nan 8.300 nan 0.000 0.568 514 N N 1.589 120.351 118.700 0.103 0.000 2.365 514 N HA 0.161 4.900 4.740 -0.003 0.000 0.265 514 N C -0.800 174.740 175.510 0.050 0.000 1.288 514 N CA 0.421 53.506 53.050 0.060 0.000 0.869 514 N CB 0.559 39.055 38.487 0.015 0.000 1.071 514 N HN 0.037 nan 8.380 nan 0.000 0.480 515 V N 2.875 122.819 119.914 0.051 0.000 3.108 515 V HA 0.254 4.373 4.120 -0.003 0.000 0.287 515 V C -1.783 174.315 176.094 0.006 0.000 1.436 515 V CA -0.988 61.346 62.300 0.057 0.000 1.001 515 V CB 2.151 34.071 31.823 0.161 0.000 1.141 515 V HN 0.652 nan 8.190 nan 0.000 0.443 516 D N 3.587 123.964 120.400 -0.040 0.000 2.249 516 D HA 0.494 5.132 4.640 -0.003 0.000 0.246 516 D C -0.477 175.670 176.300 -0.255 0.000 1.114 516 D CA 0.144 54.069 54.000 -0.125 0.000 0.854 516 D CB 1.955 42.665 40.800 -0.149 0.000 1.132 516 D HN 0.371 nan 8.370 nan 0.000 0.461 517 V N 4.373 124.077 119.914 -0.350 0.000 2.357 517 V HA 0.263 4.381 4.120 -0.003 0.000 0.284 517 V C -1.977 173.803 176.094 -0.523 0.000 1.018 517 V CA -1.578 60.327 62.300 -0.659 0.000 0.841 517 V CB 1.268 32.801 31.823 -0.483 0.000 0.991 517 V HN 0.378 nan 8.190 nan 0.000 0.437 518 P HA 0.149 nan 4.420 nan 0.000 0.266 518 P C -0.779 176.078 177.300 -0.738 0.000 1.193 518 P CA 0.039 62.779 63.100 -0.600 0.000 0.770 518 P CB 0.523 31.835 31.700 -0.647 0.000 0.836 519 V N 3.913 123.437 119.914 -0.650 0.000 2.378 519 V HA 0.322 4.440 4.120 -0.003 0.000 0.288 519 V C -0.564 175.225 176.094 -0.509 0.000 1.016 519 V CA -0.476 61.517 62.300 -0.511 0.000 0.840 519 V CB 0.435 32.109 31.823 -0.249 0.000 0.994 519 V HN 0.430 nan 8.190 nan 0.000 0.431 520 Y N 2.998 123.178 120.300 -0.201 0.000 2.496 520 Y HA 0.761 5.309 4.550 -0.003 0.000 0.331 520 Y C 0.470 176.474 175.900 0.173 0.000 1.140 520 Y CA -0.827 57.230 58.100 -0.071 0.000 1.166 520 Y CB 1.814 40.068 38.460 -0.344 0.000 1.249 520 Y HN 0.736 nan 8.280 nan 0.000 0.479 521 E N -0.048 120.454 120.200 0.503 0.000 2.378 521 E HA 0.350 4.699 4.350 -0.003 0.000 0.283 521 E C -1.911 174.690 176.600 0.001 0.000 0.979 521 E CA -1.301 55.271 56.400 0.286 0.000 0.795 521 E CB 1.380 31.149 29.700 0.115 0.000 1.221 521 E HN 0.454 nan 8.360 nan 0.000 0.428 522 K N 1.494 121.648 120.400 -0.410 0.000 2.336 522 K HA 0.075 4.393 4.320 -0.003 0.000 0.262 522 K C -0.025 176.432 176.600 -0.238 0.000 0.992 522 K CA 0.156 56.094 56.287 -0.581 0.000 0.927 522 K CB 0.460 32.584 32.500 -0.626 0.000 0.956 522 K HN 0.634 nan 8.250 nan 0.000 0.495 523 Q N 0.061 119.743 119.800 -0.198 0.000 2.456 523 Q HA 0.449 4.787 4.340 -0.003 0.000 0.283 523 Q C -2.889 173.064 176.000 -0.077 0.000 1.084 523 Q CA -2.624 53.113 55.803 -0.110 0.000 0.801 523 Q CB 1.487 30.163 28.738 -0.103 0.000 1.434 523 Q HN 0.151 nan 8.270 nan 0.000 0.419 524 P HA -0.124 nan 4.420 nan 0.000 0.261 524 P C -0.305 177.061 177.300 0.110 0.000 1.165 524 P CA 0.817 63.933 63.100 0.025 0.000 0.759 524 P CB 0.519 32.247 31.700 0.046 0.000 0.772 525 A N 4.162 127.031 122.820 0.082 0.000 2.169 525 A HA 0.116 4.434 4.320 -0.003 0.000 0.212 525 A C 0.781 178.435 177.584 0.116 0.000 1.153 525 A CA 0.833 52.956 52.037 0.145 0.000 0.756 525 A CB -0.379 18.650 19.000 0.049 0.000 0.813 525 A HN 0.516 nan 8.150 nan 0.000 0.471 526 I N -0.307 120.291 120.570 0.046 0.000 2.499 526 I HA 0.281 4.449 4.170 -0.003 0.000 0.288 526 I C -0.527 175.557 176.117 -0.056 0.000 1.048 526 I CA -0.537 60.719 61.300 -0.072 0.000 1.062 526 I CB 2.234 40.188 38.000 -0.076 0.000 1.238 526 I HN 0.006 nan 8.210 nan 0.000 0.426 527 K N 6.867 127.174 120.400 -0.156 0.000 2.450 527 K HA 0.392 4.710 4.320 -0.003 0.000 0.257 527 K C -0.903 175.602 176.600 -0.160 0.000 0.953 527 K CA -0.730 55.502 56.287 -0.091 0.000 0.844 527 K CB 1.538 34.022 32.500 -0.027 0.000 1.103 527 K HN 0.486 nan 8.250 nan 0.000 0.429 528 K N 6.084 126.394 120.400 -0.151 0.000 2.258 528 K HA 0.290 4.608 4.320 -0.003 0.000 0.284 528 K C -0.207 176.214 176.600 -0.300 0.000 1.051 528 K CA -0.539 55.596 56.287 -0.253 0.000 0.923 528 K CB 0.506 32.848 32.500 -0.263 0.000 1.046 528 K HN 0.649 nan 8.250 nan 0.000 0.474 529 I N -0.181 120.157 120.570 -0.386 0.000 3.206 529 I HA 0.610 4.778 4.170 -0.003 0.000 0.313 529 I C -1.329 174.433 176.117 -0.592 0.000 1.103 529 I CA -1.179 59.927 61.300 -0.322 0.000 0.985 529 I CB 1.556 39.480 38.000 -0.127 0.000 1.240 529 I HN 0.378 nan 8.210 nan 0.000 0.464 530 F N 0.577 120.471 119.950 -0.093 0.000 2.507 530 F HA 0.731 5.255 4.527 -0.005 0.000 0.325 530 F C 0.097 175.790 175.800 -0.178 0.000 1.116 530 F CA -0.511 57.421 58.000 -0.113 0.000 0.930 530 F CB 2.241 41.198 39.000 -0.072 0.000 1.146 530 F HN 0.654 nan 8.300 nan 0.000 0.447 531 T N 1.502 116.024 114.554 -0.053 0.000 3.225 531 T HA 0.195 4.543 4.350 -0.003 0.000 0.356 531 T C -0.869 173.769 174.700 -0.104 0.000 1.460 531 T CA -0.683 61.301 62.100 -0.192 0.000 1.126 531 T CB 1.126 69.591 68.868 -0.671 0.000 1.321 531 T HN 0.613 nan 8.240 nan 0.000 0.478 532 D N 2.055 122.431 120.400 -0.040 0.000 2.363 532 D HA 0.114 4.752 4.640 -0.003 0.000 0.214 532 D C 0.273 176.600 176.300 0.046 0.000 1.093 532 D CA -0.066 53.945 54.000 0.018 0.000 0.837 532 D CB 0.622 41.445 40.800 0.038 0.000 0.948 532 D HN 0.536 nan 8.370 nan 0.000 0.507 533 E N 1.428 121.635 120.200 0.011 0.000 2.384 533 E HA 0.083 4.431 4.350 -0.003 0.000 0.266 533 E C 0.196 176.892 176.600 0.161 0.000 1.012 533 E CA 0.361 56.821 56.400 0.100 0.000 0.901 533 E CB 0.717 30.521 29.700 0.173 0.000 0.967 533 E HN 0.027 nan 8.360 nan 0.000 0.435 534 N N 2.303 121.109 118.700 0.177 0.000 2.898 534 N HA 0.087 4.825 4.740 -0.003 0.000 0.245 534 N C -0.118 175.466 175.510 0.124 0.000 1.185 534 N CA -0.037 53.145 53.050 0.221 0.000 0.879 534 N CB 1.371 40.003 38.487 0.241 0.000 1.157 534 N HN 0.334 nan 8.380 nan 0.000 0.503 535 T N -0.050 114.598 114.554 0.156 0.000 2.923 535 T HA 0.349 4.697 4.350 -0.003 0.000 0.282 535 T C 1.769 176.424 174.700 -0.075 0.000 1.137 535 T CA -0.592 61.493 62.100 -0.025 0.000 0.958 535 T CB 0.599 69.473 68.868 0.010 0.000 1.961 535 T HN 0.297 nan 8.240 nan 0.000 0.586 536 I N -0.136 120.270 120.570 -0.274 0.000 2.185 536 I HA -0.191 3.978 4.170 -0.003 0.000 0.246 536 I C 1.837 177.876 176.117 -0.129 0.000 1.088 536 I CA 1.959 63.092 61.300 -0.278 0.000 1.347 536 I CB -0.223 37.532 38.000 -0.407 0.000 1.041 536 I HN 0.671 nan 8.210 nan 0.000 0.415 537 F N 0.538 120.625 119.950 0.229 0.000 2.102 537 F HA -0.251 4.279 4.527 0.004 0.000 0.298 537 F C 2.646 178.605 175.800 0.265 0.000 1.105 537 F CA 1.044 59.178 58.000 0.223 0.000 1.239 537 F CB -0.812 38.315 39.000 0.211 0.000 0.991 537 F HN 0.066 nan 8.300 nan 0.000 0.474 538 Q N -0.375 119.693 119.800 0.447 0.000 2.084 538 Q HA -0.174 4.164 4.340 -0.003 0.000 0.202 538 Q C 2.003 178.316 176.000 0.521 0.000 0.978 538 Q CA 1.565 57.643 55.803 0.458 0.000 0.844 538 Q CB -0.866 28.161 28.738 0.482 0.000 0.898 538 Q HN 0.433 nan 8.270 nan 0.000 0.426 539 Y N 0.160 120.583 120.300 0.206 0.000 2.181 539 Y HA -0.147 4.410 4.550 0.012 0.000 0.288 539 Y C 1.885 177.939 175.900 0.258 0.000 1.146 539 Y CA 0.975 59.157 58.100 0.136 0.000 1.164 539 Y CB -0.231 38.159 38.460 -0.117 0.000 0.982 539 Y HN 0.072 nan 8.280 nan 0.000 0.515 540 L N -1.899 119.555 121.223 0.385 0.000 2.141 540 L HA -0.258 4.081 4.340 -0.003 0.000 0.209 540 L C 2.194 179.215 176.870 0.251 0.000 1.094 540 L CA 1.343 56.403 54.840 0.366 0.000 0.763 540 L CB -0.647 41.640 42.059 0.381 0.000 0.908 540 L HN 0.248 nan 8.230 nan 0.000 0.437 541 Y N 1.127 121.515 120.300 0.146 0.000 2.163 541 Y HA -0.291 4.256 4.550 -0.005 0.000 0.288 541 Y C 2.947 178.843 175.900 -0.007 0.000 1.136 541 Y CA 1.472 59.596 58.100 0.040 0.000 1.147 541 Y CB -0.386 38.129 38.460 0.092 0.000 0.987 541 Y HN 0.253 nan 8.280 nan 0.000 0.509 542 S N -0.377 115.369 115.700 0.076 0.000 2.462 542 S HA -0.254 4.214 4.470 -0.003 0.000 0.243 542 S C 1.401 175.999 174.600 -0.004 0.000 1.003 542 S CA 1.545 59.714 58.200 -0.052 0.000 0.970 542 S CB -0.570 62.611 63.200 -0.032 0.000 0.762 542 S HN 0.727 nan 8.310 nan 0.000 0.510 543 Q N 1.452 121.256 119.800 0.007 0.000 2.246 543 Q HA 0.181 4.520 4.340 -0.003 0.000 0.202 543 Q C 0.544 176.407 176.000 -0.229 0.000 0.883 543 Q CA 0.411 56.226 55.803 0.019 0.000 0.952 543 Q CB 0.594 29.449 28.738 0.195 0.000 1.078 543 Q HN 0.820 nan 8.270 nan 0.000 0.493 544 T N -1.923 112.409 114.554 -0.370 0.000 2.927 544 T HA 0.718 5.066 4.350 -0.003 0.000 0.286 544 T C -0.531 174.074 174.700 -0.159 0.000 1.040 544 T CA -0.870 60.971 62.100 -0.431 0.000 1.010 544 T CB 1.359 69.852 68.868 -0.625 0.000 1.177 544 T HN 0.150 nan 8.240 nan 0.000 0.546 545 F N -2.215 117.606 119.950 -0.215 0.000 2.641 545 F HA 0.771 5.296 4.527 -0.004 0.000 0.308 545 F C -3.203 172.539 175.800 -0.098 0.000 1.105 545 F CA -2.505 55.404 58.000 -0.152 0.000 0.964 545 F CB -0.437 38.503 39.000 -0.100 0.000 1.294 545 F HN 0.456 nan 8.300 nan 0.000 0.442 546 P HA 0.237 nan 4.420 nan 0.000 0.268 546 P C 0.711 178.050 177.300 0.065 0.000 1.208 546 P CA -0.378 62.736 63.100 0.024 0.000 0.777 546 P CB 0.845 32.575 31.700 0.050 0.000 0.875 547 L N 1.015 122.245 121.223 0.013 0.000 2.291 547 L HA -0.117 4.221 4.340 -0.003 0.000 0.214 547 L C 1.328 178.245 176.870 0.078 0.000 1.120 547 L CA 1.333 56.194 54.840 0.036 0.000 0.799 547 L CB -0.676 41.388 42.059 0.009 0.000 0.925 547 L HN 0.487 nan 8.230 nan 0.000 0.446 548 D N -1.055 119.384 120.400 0.065 0.000 2.328 548 D HA 0.008 4.646 4.640 -0.003 0.000 0.226 548 D C 0.455 176.791 176.300 0.060 0.000 1.066 548 D CA 0.263 54.296 54.000 0.055 0.000 0.861 548 D CB 0.206 41.027 40.800 0.035 0.000 0.912 548 D HN -0.016 nan 8.370 nan 0.000 0.521 549 I N 1.402 122.029 120.570 0.097 0.000 2.433 549 I HA 0.293 4.462 4.170 -0.003 0.000 0.292 549 I C 1.092 177.231 176.117 0.036 0.000 1.001 549 I CA -0.675 60.656 61.300 0.052 0.000 1.119 549 I CB 1.986 40.021 38.000 0.059 0.000 1.289 549 I HN 0.123 nan 8.210 nan 0.000 0.438 550 R N 2.468 122.921 120.500 -0.079 0.000 2.394 550 R HA 0.243 4.582 4.340 -0.003 0.000 0.220 550 R C -0.370 175.663 176.300 -0.445 0.000 0.887 550 R CA -0.257 55.771 56.100 -0.119 0.000 1.034 550 R CB 0.466 30.792 30.300 0.043 0.000 1.179 550 R HN 0.391 nan 8.270 nan 0.000 0.561 551 D N 2.355 122.375 120.400 -0.633 0.000 2.392 551 D HA 0.329 4.967 4.640 -0.003 0.000 0.228 551 D C -0.215 175.765 176.300 -0.535 0.000 1.074 551 D CA -0.683 52.729 54.000 -0.979 0.000 0.838 551 D CB 0.998 41.130 40.800 -1.114 0.000 1.067 551 D HN 0.398 nan 8.370 nan 0.000 0.511 552 I N -0.064 120.224 120.570 -0.470 0.000 3.145 552 I HA 0.768 4.936 4.170 -0.003 0.000 0.313 552 I C -0.960 175.023 176.117 -0.224 0.000 1.122 552 I CA -1.013 60.081 61.300 -0.343 0.000 0.987 552 I CB 2.291 40.008 38.000 -0.471 0.000 1.236 552 I HN 0.317 nan 8.210 nan 0.000 0.453 553 S N 3.106 118.710 115.700 -0.161 0.000 2.540 553 S HA 0.658 5.126 4.470 -0.003 0.000 0.275 553 S C -0.769 173.786 174.600 -0.074 0.000 1.123 553 S CA -0.911 57.228 58.200 -0.102 0.000 0.907 553 S CB 1.599 64.742 63.200 -0.094 0.000 1.081 553 S HN 0.695 nan 8.310 nan 0.000 0.476 554 L N 2.037 123.229 121.223 -0.051 0.000 2.453 554 L HA 0.670 5.009 4.340 -0.003 0.000 0.261 554 L C 0.632 177.490 176.870 -0.020 0.000 1.179 554 L CA -0.308 54.514 54.840 -0.030 0.000 0.813 554 L CB 1.288 43.329 42.059 -0.030 0.000 1.110 554 L HN 0.907 nan 8.230 nan 0.000 0.466 555 T N -1.230 113.327 114.554 0.005 0.000 2.982 555 T HA 0.208 4.556 4.350 -0.003 0.000 0.321 555 T C 0.481 175.222 174.700 0.069 0.000 1.229 555 T CA -0.175 61.947 62.100 0.036 0.000 1.044 555 T CB 1.556 70.457 68.868 0.054 0.000 1.184 555 T HN 0.699 nan 8.240 nan 0.000 0.477 556 S N 2.044 117.798 115.700 0.089 0.000 2.562 556 S HA 0.164 4.632 4.470 -0.003 0.000 0.221 556 S C 1.011 175.812 174.600 0.335 0.000 0.975 556 S CA 0.030 58.312 58.200 0.135 0.000 0.918 556 S CB 0.047 63.319 63.200 0.120 0.000 0.772 556 S HN 0.578 nan 8.310 nan 0.000 0.531 557 S N 1.220 117.085 115.700 0.275 0.000 2.400 557 S HA 0.350 4.818 4.470 -0.003 0.000 0.295 557 S C 0.406 175.167 174.600 0.268 0.000 1.113 557 S CA -0.878 57.479 58.200 0.262 0.000 1.064 557 S CB -0.336 62.954 63.200 0.150 0.000 0.990 557 S HN 0.412 nan 8.310 nan 0.000 0.502 558 F N 5.062 125.038 119.950 0.044 0.000 2.126 558 F HA -0.111 4.422 4.527 0.009 0.000 0.299 558 F C 1.679 177.376 175.800 -0.170 0.000 1.096 558 F CA 1.912 59.700 58.000 -0.354 0.000 1.255 558 F CB -0.149 38.425 39.000 -0.710 0.000 0.997 558 F HN 0.601 nan 8.300 nan 0.000 0.479 559 D N 0.107 120.370 120.400 -0.228 0.000 2.144 559 D HA -0.156 4.482 4.640 -0.003 0.000 0.200 559 D C 1.705 177.913 176.300 -0.153 0.000 0.978 559 D CA 1.430 55.270 54.000 -0.267 0.000 0.833 559 D CB -0.388 40.402 40.800 -0.016 0.000 0.961 559 D HN 0.370 nan 8.370 nan 0.000 0.470 560 D N 0.767 121.170 120.400 0.004 0.000 2.149 560 D HA -0.026 4.613 4.640 -0.003 0.000 0.201 560 D C 2.077 178.470 176.300 0.155 0.000 0.972 560 D CA 0.728 54.839 54.000 0.186 0.000 0.835 560 D CB -0.205 40.692 40.800 0.162 0.000 0.966 560 D HN 0.081 nan 8.370 nan 0.000 0.476 561 A N 0.560 123.378 122.820 -0.004 0.000 1.978 561 A HA -0.122 4.196 4.320 -0.003 0.000 0.220 561 A C 2.303 179.812 177.584 -0.126 0.000 1.170 561 A CA 0.916 52.936 52.037 -0.028 0.000 0.636 561 A CB -0.617 18.382 19.000 -0.003 0.000 0.810 561 A HN 0.213 nan 8.150 nan 0.000 0.448 562 L N -1.525 119.530 121.223 -0.281 0.000 2.131 562 L HA -0.062 4.276 4.340 -0.003 0.000 0.206 562 L C 2.480 179.248 176.870 -0.169 0.000 1.087 562 L CA 0.626 55.318 54.840 -0.247 0.000 0.767 562 L CB -0.362 41.471 42.059 -0.377 0.000 0.917 562 L HN 0.402 nan 8.230 nan 0.000 0.441 563 L N -0.517 120.585 121.223 -0.203 0.000 2.056 563 L HA -0.044 4.294 4.340 -0.003 0.000 0.207 563 L C 0.196 176.735 176.870 -0.551 0.000 1.078 563 L CA 1.562 56.166 54.840 -0.394 0.000 0.749 563 L CB -0.174 41.582 42.059 -0.504 0.000 0.901 563 L HN -0.115 nan 8.230 nan 0.000 0.433 564 F N -0.837 119.070 119.950 -0.071 0.000 2.411 564 F HA 0.261 4.786 4.527 -0.004 0.000 0.352 564 F C 1.675 177.437 175.800 -0.064 0.000 1.123 564 F CA -0.144 57.821 58.000 -0.058 0.000 1.044 564 F CB 0.912 39.880 39.000 -0.054 0.000 1.135 564 F HN -0.063 nan 8.300 nan 0.000 0.461 565 S N 0.705 116.452 115.700 0.079 0.000 2.440 565 S HA -0.228 4.240 4.470 -0.003 0.000 0.238 565 S C 1.294 175.915 174.600 0.034 0.000 1.010 565 S CA 1.334 59.555 58.200 0.035 0.000 0.972 565 S CB -0.474 62.740 63.200 0.023 0.000 0.774 565 S HN 0.762 nan 8.310 nan 0.000 0.501 566 N N 0.816 119.540 118.700 0.040 0.000 2.268 566 N HA 0.097 4.835 4.740 -0.003 0.000 0.204 566 N C -0.459 175.013 175.510 -0.062 0.000 1.124 566 N CA -0.106 52.916 53.050 -0.047 0.000 0.838 566 N CB 0.065 38.513 38.487 -0.066 0.000 0.994 566 N HN 0.160 nan 8.380 nan 0.000 0.489 567 K N 0.890 121.292 120.400 0.003 0.000 2.292 567 K HA 0.441 4.759 4.320 -0.003 0.000 0.257 567 K C -0.995 175.612 176.600 0.011 0.000 0.940 567 K CA -0.732 55.553 56.287 -0.003 0.000 0.811 567 K CB 2.917 35.444 32.500 0.044 0.000 1.120 567 K HN -0.148 nan 8.250 nan 0.000 0.428 568 V N 3.215 123.134 119.914 0.009 0.000 2.604 568 V HA 0.257 4.375 4.120 -0.003 0.000 0.305 568 V C -0.684 175.471 176.094 0.101 0.000 1.043 568 V CA -1.129 61.203 62.300 0.053 0.000 0.888 568 V CB 1.584 33.438 31.823 0.052 0.000 0.995 568 V HN 0.638 nan 8.190 nan 0.000 0.429 569 Y N 3.033 123.340 120.300 0.013 0.000 2.359 569 Y HA 0.528 5.075 4.550 -0.005 0.000 0.330 569 Y C 0.455 176.385 175.900 0.051 0.000 1.143 569 Y CA 0.399 58.530 58.100 0.051 0.000 1.318 569 Y CB 1.301 39.814 38.460 0.090 0.000 1.234 569 Y HN 0.665 nan 8.280 nan 0.000 0.522 570 S N 6.094 121.371 115.700 -0.704 0.000 2.571 570 S HA 0.363 4.831 4.470 -0.003 0.000 0.284 570 S C -0.285 173.777 174.600 -0.897 0.000 1.128 570 S CA -0.786 56.989 58.200 -0.708 0.000 0.970 570 S CB 0.037 63.050 63.200 -0.313 0.000 1.039 570 S HN 0.645 nan 8.310 nan 0.000 0.485 571 F N 2.666 122.191 119.950 -0.709 0.000 2.732 571 F HA 0.531 5.059 4.527 0.002 0.000 0.303 571 F C 0.128 175.797 175.800 -0.218 0.000 1.110 571 F CA -0.997 56.752 58.000 -0.419 0.000 1.355 571 F CB -0.457 38.407 39.000 -0.226 0.000 1.081 571 F HN 0.339 nan 8.300 nan 0.000 0.565 572 F N 1.359 120.986 119.950 -0.539 0.000 2.368 572 F HA 0.297 4.821 4.527 -0.004 0.000 0.308 572 F C 1.504 177.221 175.800 -0.140 0.000 1.198 572 F CA -1.111 56.623 58.000 -0.444 0.000 1.130 572 F CB 0.642 39.152 39.000 -0.816 0.000 1.300 572 F HN -0.020 nan 8.300 nan 0.000 0.537 573 S N 1.296 117.070 115.700 0.123 0.000 2.559 573 S HA -0.104 4.364 4.470 -0.003 0.000 0.282 573 S C 0.918 175.604 174.600 0.144 0.000 1.336 573 S CA -0.659 57.608 58.200 0.111 0.000 1.037 573 S CB 0.661 63.893 63.200 0.055 0.000 0.853 573 S HN 0.872 nan 8.310 nan 0.000 0.523 574 M N 0.604 120.265 119.600 0.102 0.000 2.149 574 M HA -0.171 4.307 4.480 -0.003 0.000 0.261 574 M C 1.671 178.015 176.300 0.074 0.000 1.064 574 M CA 2.509 57.859 55.300 0.083 0.000 1.102 574 M CB -0.643 31.998 32.600 0.068 0.000 1.369 574 M HN 0.975 nan 8.290 nan 0.000 0.408 575 D N -0.724 119.721 120.400 0.075 0.000 2.144 575 D HA -0.246 4.392 4.640 -0.003 0.000 0.200 575 D C 1.823 178.164 176.300 0.068 0.000 0.978 575 D CA 1.427 55.462 54.000 0.059 0.000 0.833 575 D CB -0.371 40.458 40.800 0.048 0.000 0.961 575 D HN 0.566 nan 8.370 nan 0.000 0.470 576 Y N 0.765 121.056 120.300 -0.015 0.000 2.181 576 Y HA -0.065 4.483 4.550 -0.003 0.000 0.288 576 Y C 1.916 177.829 175.900 0.022 0.000 1.146 576 Y CA 1.476 59.565 58.100 -0.018 0.000 1.164 576 Y CB -0.253 38.180 38.460 -0.045 0.000 0.982 576 Y HN 0.044 nan 8.280 nan 0.000 0.515 577 I N 0.051 120.596 120.570 -0.042 0.000 2.394 577 I HA -0.266 3.902 4.170 -0.003 0.000 0.251 577 I C 2.260 178.320 176.117 -0.096 0.000 1.136 577 I CA 1.397 62.633 61.300 -0.107 0.000 1.425 577 I CB -0.352 37.657 38.000 0.015 0.000 1.079 577 I HN 0.177 nan 8.210 nan 0.000 0.425 578 K N 0.256 120.632 120.400 -0.041 0.000 2.062 578 K HA -0.072 4.246 4.320 -0.003 0.000 0.205 578 K C 2.102 178.710 176.600 0.013 0.000 1.051 578 K CA 1.657 57.939 56.287 -0.008 0.000 0.941 578 K CB -0.146 32.361 32.500 0.013 0.000 0.719 578 K HN 0.267 nan 8.250 nan 0.000 0.440 579 T N 1.125 115.680 114.554 0.000 0.000 2.821 579 T HA -0.110 4.239 4.350 -0.003 0.000 0.267 579 T C 2.007 176.823 174.700 0.194 0.000 1.046 579 T CA 1.245 63.399 62.100 0.090 0.000 1.139 579 T CB -0.208 68.661 68.868 0.002 0.000 0.871 579 T HN 0.264 nan 8.240 nan 0.000 0.454 580 A N 2.416 125.192 122.820 -0.073 0.000 1.972 580 A HA -0.113 4.205 4.320 -0.003 0.000 0.219 580 A C 2.127 179.829 177.584 0.198 0.000 1.169 580 A CA 1.249 53.273 52.037 -0.023 0.000 0.635 580 A CB -0.416 18.350 19.000 -0.390 0.000 0.810 580 A HN 0.389 nan 8.150 nan 0.000 0.446 581 N N -0.416 118.330 118.700 0.078 0.000 2.398 581 N HA 0.010 4.748 4.740 -0.003 0.000 0.188 581 N C 0.422 175.943 175.510 0.018 0.000 1.122 581 N CA 0.231 53.306 53.050 0.041 0.000 0.866 581 N CB 0.002 38.482 38.487 -0.011 0.000 0.970 581 N HN 0.542 nan 8.380 nan 0.000 0.462 582 K N 1.391 121.831 120.400 0.068 0.000 2.401 582 K HA 0.148 4.467 4.320 -0.003 0.000 0.278 582 K C -0.671 175.748 176.600 -0.302 0.000 1.018 582 K CA 0.055 56.315 56.287 -0.044 0.000 0.981 582 K CB 0.733 33.279 32.500 0.078 0.000 0.933 582 K HN -0.273 nan 8.250 nan 0.000 0.477 583 V N 5.923 125.693 119.914 -0.240 0.000 2.417 583 V HA 0.334 4.452 4.120 -0.003 0.000 0.291 583 V C -0.055 175.914 176.094 -0.208 0.000 1.024 583 V CA -0.655 61.479 62.300 -0.278 0.000 0.861 583 V CB 1.236 32.959 31.823 -0.166 0.000 0.985 583 V HN 0.689 nan 8.190 nan 0.000 0.436 584 V N 1.545 121.345 119.914 -0.189 0.000 3.164 584 V HA 0.741 4.859 4.120 -0.003 0.000 0.313 584 V C -0.276 175.876 176.094 0.098 0.000 1.188 584 V CA -0.966 61.312 62.300 -0.037 0.000 1.058 584 V CB 2.073 33.885 31.823 -0.018 0.000 1.110 584 V HN 0.629 nan 8.190 nan 0.000 0.453 585 E N 0.447 120.697 120.200 0.083 0.000 2.390 585 E HA 0.422 4.770 4.350 -0.003 0.000 0.261 585 E C 1.246 177.864 176.600 0.030 0.000 1.076 585 E CA 0.516 56.957 56.400 0.069 0.000 0.905 585 E CB 1.549 31.261 29.700 0.019 0.000 0.984 585 E HN 0.945 nan 8.360 nan 0.000 0.427 586 A N 2.968 125.651 122.820 -0.230 0.000 1.948 586 A HA -0.164 4.154 4.320 -0.003 0.000 0.220 586 A C 1.943 179.402 177.584 -0.208 0.000 1.177 586 A CA 2.052 53.683 52.037 -0.678 0.000 0.636 586 A CB -0.758 17.690 19.000 -0.920 0.000 0.815 586 A HN 0.655 nan 8.150 nan 0.000 0.449 587 G N -1.175 107.561 108.800 -0.106 0.000 2.559 587 G HA2 0.104 4.062 3.960 -0.003 0.000 0.216 587 G HA3 0.104 4.062 3.960 -0.003 0.000 0.216 587 G C 1.128 176.046 174.900 0.031 0.000 1.126 587 G CA 0.877 45.959 45.100 -0.030 0.000 0.778 587 G HN 0.468 nan 8.290 nan 0.000 0.543 588 L N -1.371 119.897 121.223 0.074 0.000 2.858 588 L HA 0.377 4.716 4.340 -0.003 0.000 0.251 588 L C 1.801 178.802 176.870 0.218 0.000 1.149 588 L CA -0.464 54.447 54.840 0.118 0.000 0.955 588 L CB 0.135 42.253 42.059 0.098 0.000 1.289 588 L HN 0.075 nan 8.230 nan 0.000 0.542 589 F N 1.965 121.973 119.950 0.096 0.000 2.102 589 F HA -0.226 4.299 4.527 -0.003 0.000 0.298 589 F C 2.431 178.387 175.800 0.260 0.000 1.105 589 F CA 1.596 59.733 58.000 0.228 0.000 1.239 589 F CB -0.151 39.013 39.000 0.272 0.000 0.991 589 F HN 0.072 nan 8.300 nan 0.000 0.474 590 A N 0.311 123.217 122.820 0.144 0.000 1.873 590 A HA -0.155 4.163 4.320 -0.003 0.000 0.218 590 A C 2.558 180.109 177.584 -0.055 0.000 1.193 590 A CA 2.096 54.129 52.037 -0.007 0.000 0.629 590 A CB -1.838 17.184 19.000 0.038 0.000 0.826 590 A HN 0.520 nan 8.150 nan 0.000 0.447 591 G N -1.680 107.131 108.800 0.018 0.000 2.491 591 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.218 591 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.218 591 G C 1.416 176.319 174.900 0.006 0.000 1.180 591 G CA 1.242 46.349 45.100 0.012 0.000 0.774 591 G HN 0.749 nan 8.290 nan 0.000 0.562 592 W N 1.080 122.296 121.300 -0.140 0.000 2.338 592 W HA -0.125 4.533 4.660 -0.003 0.000 0.304 592 W C 2.461 178.832 176.519 -0.246 0.000 1.212 592 W CA 1.952 59.201 57.345 -0.160 0.000 1.264 592 W CB -0.409 28.975 29.460 -0.127 0.000 1.142 592 W HN 0.051 nan 8.180 nan 0.000 0.512 593 V N 1.595 121.273 119.914 -0.394 0.000 2.255 593 V HA -0.372 3.746 4.120 -0.003 0.000 0.247 593 V C 2.582 178.375 176.094 -0.500 0.000 1.051 593 V CA 2.531 64.439 62.300 -0.653 0.000 1.018 593 V CB -1.183 30.300 31.823 -0.566 0.000 0.641 593 V HN 0.268 nan 8.190 nan 0.000 0.445 594 K N -0.225 119.982 120.400 -0.321 0.000 2.063 594 K HA -0.299 4.019 4.320 -0.003 0.000 0.208 594 K C 2.287 178.746 176.600 -0.235 0.000 1.048 594 K CA 2.205 58.353 56.287 -0.232 0.000 0.928 594 K CB -0.220 32.189 32.500 -0.151 0.000 0.713 594 K HN 0.560 nan 8.250 nan 0.000 0.442 595 Q N 0.314 119.958 119.800 -0.260 0.000 2.020 595 Q HA -0.193 4.145 4.340 -0.003 0.000 0.202 595 Q C 2.142 177.971 176.000 -0.285 0.000 0.982 595 Q CA 1.747 57.411 55.803 -0.230 0.000 0.838 595 Q CB -0.121 28.503 28.738 -0.191 0.000 0.899 595 Q HN 0.383 nan 8.270 nan 0.000 0.423 596 I N -0.034 120.223 120.570 -0.523 0.000 2.439 596 I HA -0.176 3.993 4.170 -0.003 0.000 0.251 596 I C 1.944 177.944 176.117 -0.194 0.000 1.139 596 I CA 0.785 61.816 61.300 -0.449 0.000 1.438 596 I CB -0.102 37.374 38.000 -0.873 0.000 1.085 596 I HN 0.056 nan 8.210 nan 0.000 0.427 597 V N 0.793 120.553 119.914 -0.256 0.000 2.358 597 V HA -0.265 3.854 4.120 -0.003 0.000 0.246 597 V C 2.288 178.364 176.094 -0.030 0.000 1.047 597 V CA 2.086 64.311 62.300 -0.125 0.000 1.035 597 V CB -1.093 30.612 31.823 -0.195 0.000 0.658 597 V HN 0.537 nan 8.190 nan 0.000 0.452 598 N N 0.442 119.092 118.700 -0.084 0.000 2.166 598 N HA -0.193 4.545 4.740 -0.003 0.000 0.186 598 N C 1.450 176.932 175.510 -0.047 0.000 1.019 598 N CA 1.720 54.734 53.050 -0.060 0.000 0.856 598 N CB -0.174 38.265 38.487 -0.080 0.000 0.993 598 N HN 0.433 nan 8.380 nan 0.000 0.426 599 D N -0.442 119.941 120.400 -0.029 0.000 2.117 599 D HA -0.151 4.488 4.640 -0.003 0.000 0.197 599 D C 1.532 177.763 176.300 -0.114 0.000 0.987 599 D CA 0.659 54.647 54.000 -0.019 0.000 0.829 599 D CB -0.557 40.307 40.800 0.107 0.000 0.961 599 D HN 0.324 nan 8.370 nan 0.000 0.460 600 F N 1.498 121.365 119.950 -0.139 0.000 2.091 600 F HA -0.265 4.262 4.527 -0.001 0.000 0.299 600 F C 2.207 177.764 175.800 -0.405 0.000 1.103 600 F CA 1.193 58.990 58.000 -0.338 0.000 1.228 600 F CB -0.160 38.799 39.000 -0.067 0.000 0.984 600 F HN -0.202 nan 8.300 nan 0.000 0.477 601 V N 0.761 120.658 119.914 -0.029 0.000 2.295 601 V HA -0.327 3.792 4.120 -0.003 0.000 0.246 601 V C 2.409 178.365 176.094 -0.230 0.000 1.049 601 V CA 2.137 64.393 62.300 -0.075 0.000 1.024 601 V CB -0.641 31.184 31.823 0.004 0.000 0.648 601 V HN 0.379 nan 8.190 nan 0.000 0.447 602 I N -0.332 120.097 120.570 -0.236 0.000 2.179 602 I HA -0.197 3.971 4.170 -0.003 0.000 0.242 602 I C 2.723 178.612 176.117 -0.380 0.000 1.088 602 I CA 1.383 62.540 61.300 -0.238 0.000 1.357 602 I CB -0.441 37.451 38.000 -0.179 0.000 1.051 602 I HN 0.342 nan 8.210 nan 0.000 0.409 603 E N 1.024 120.818 120.200 -0.676 0.000 2.038 603 E HA -0.228 4.120 4.350 -0.003 0.000 0.195 603 E C 2.336 178.349 176.600 -0.977 0.000 1.000 603 E CA 1.615 57.379 56.400 -1.060 0.000 0.803 603 E CB -0.385 28.060 29.700 -2.092 0.000 0.750 603 E HN 0.508 nan 8.360 nan 0.000 0.448 604 A N 1.569 123.767 122.820 -1.037 0.000 1.933 604 A HA -0.185 4.133 4.320 -0.003 0.000 0.218 604 A C 1.877 179.422 177.584 -0.066 0.000 1.175 604 A CA 1.516 53.295 52.037 -0.430 0.000 0.628 604 A CB -0.845 17.948 19.000 -0.345 0.000 0.814 604 A HN 0.288 nan 8.150 nan 0.000 0.444 605 N N -0.627 117.987 118.700 -0.144 0.000 2.520 605 N HA -0.096 4.642 4.740 -0.003 0.000 0.185 605 N C 1.190 176.680 175.510 -0.034 0.000 1.068 605 N CA 0.550 53.562 53.050 -0.062 0.000 0.911 605 N CB -0.091 38.346 38.487 -0.085 0.000 0.961 605 N HN 0.489 nan 8.380 nan 0.000 0.446 606 K N 0.564 120.964 120.400 -0.000 0.000 2.515 606 K HA -0.034 4.285 4.320 -0.003 0.000 0.196 606 K C 1.843 178.413 176.600 -0.050 0.000 1.038 606 K CA 0.666 56.957 56.287 0.008 0.000 0.967 606 K CB 0.087 32.629 32.500 0.069 0.000 0.780 606 K HN 0.203 nan 8.250 nan 0.000 0.483 607 S N 1.477 117.158 115.700 -0.032 0.000 2.537 607 S HA -0.124 4.344 4.470 -0.003 0.000 0.240 607 S C 1.151 175.639 174.600 -0.186 0.000 0.981 607 S CA 1.151 59.219 58.200 -0.220 0.000 0.948 607 S CB -0.412 62.733 63.200 -0.092 0.000 0.759 607 S HN 0.387 nan 8.310 nan 0.000 0.531 608 N N 0.545 119.176 118.700 -0.115 0.000 2.251 608 N HA 0.096 4.834 4.740 -0.003 0.000 0.217 608 N C -0.565 174.879 175.510 -0.110 0.000 1.124 608 N CA -0.191 52.801 53.050 -0.098 0.000 0.843 608 N CB -0.628 37.823 38.487 -0.060 0.000 1.024 608 N HN 0.065 nan 8.380 nan 0.000 0.501 609 T N 1.684 116.153 114.554 -0.142 0.000 2.902 609 T HA 0.125 4.473 4.350 -0.003 0.000 0.301 609 T C 0.454 175.080 174.700 -0.123 0.000 1.012 609 T CA 0.224 62.248 62.100 -0.127 0.000 1.151 609 T CB 0.377 69.165 68.868 -0.133 0.000 0.946 609 T HN 0.194 nan 8.240 nan 0.000 0.542 610 M N 2.470 122.013 119.600 -0.096 0.000 2.444 610 M HA 0.387 4.866 4.480 -0.003 0.000 0.319 610 M C 0.170 176.428 176.300 -0.070 0.000 1.183 610 M CA -0.513 54.739 55.300 -0.080 0.000 1.032 610 M CB 1.121 33.673 32.600 -0.080 0.000 1.569 610 M HN 0.452 nan 8.290 nan 0.000 0.468 611 D N 0.043 120.413 120.400 -0.050 0.000 3.078 611 D HA 0.158 4.796 4.640 -0.003 0.000 0.363 611 D C 0.545 176.825 176.300 -0.032 0.000 1.391 611 D CA -0.004 53.976 54.000 -0.034 0.000 0.754 611 D CB 0.409 41.205 40.800 -0.006 0.000 1.238 611 D HN 0.298 nan 8.370 nan 0.000 0.500 612 K N 0.233 120.601 120.400 -0.053 0.000 2.113 612 K HA -0.150 4.168 4.320 -0.003 0.000 0.208 612 K C 1.765 178.324 176.600 -0.069 0.000 1.047 612 K CA 0.738 56.992 56.287 -0.056 0.000 0.928 612 K CB -0.105 32.350 32.500 -0.074 0.000 0.716 612 K HN 0.369 nan 8.250 nan 0.000 0.446 613 I N 1.023 121.546 120.570 -0.077 0.000 2.454 613 I HA -0.186 3.982 4.170 -0.003 0.000 0.254 613 I C 1.572 177.604 176.117 -0.141 0.000 1.156 613 I CA 1.152 62.385 61.300 -0.112 0.000 1.433 613 I CB -0.265 37.696 38.000 -0.066 0.000 1.082 613 I HN 0.080 nan 8.210 nan 0.000 0.432 614 A N -0.740 122.036 122.820 -0.073 0.000 2.337 614 A HA 0.130 4.448 4.320 -0.003 0.000 0.227 614 A C 0.553 178.112 177.584 -0.042 0.000 1.259 614 A CA 0.356 52.363 52.037 -0.051 0.000 0.870 614 A CB -0.473 18.527 19.000 -0.001 0.000 0.927 614 A HN 0.502 nan 8.150 nan 0.000 0.497 615 D N -0.700 119.671 120.400 -0.049 0.000 2.723 615 D HA -0.150 4.488 4.640 -0.003 0.000 0.236 615 D C -0.483 175.820 176.300 0.004 0.000 1.138 615 D CA 1.133 55.119 54.000 -0.024 0.000 0.676 615 D CB -1.262 39.515 40.800 -0.037 0.000 1.069 615 D HN 0.566 nan 8.370 nan 0.000 0.430 616 I N 0.345 120.929 120.570 0.023 0.000 2.497 616 I HA 0.064 4.233 4.170 -0.003 0.000 0.284 616 I C 1.182 177.324 176.117 0.042 0.000 1.060 616 I CA -0.465 60.879 61.300 0.073 0.000 1.071 616 I CB 1.898 39.987 38.000 0.147 0.000 1.216 616 I HN -0.269 nan 8.210 nan 0.000 0.442 617 S N 4.623 120.345 115.700 0.036 0.000 2.428 617 S HA 0.092 4.560 4.470 -0.003 0.000 0.230 617 S C 0.223 174.824 174.600 0.002 0.000 1.014 617 S CA 0.669 58.873 58.200 0.008 0.000 0.957 617 S CB 0.025 63.227 63.200 0.003 0.000 0.784 617 S HN 0.451 nan 8.310 nan 0.000 0.499 618 L N 0.674 121.919 121.223 0.038 0.000 2.436 618 L HA 0.758 5.096 4.340 -0.003 0.000 0.268 618 L C -1.516 175.296 176.870 -0.096 0.000 0.974 618 L CA -0.646 54.189 54.840 -0.008 0.000 0.826 618 L CB 1.935 44.034 42.059 0.067 0.000 1.291 618 L HN 0.055 nan 8.230 nan 0.000 0.406 619 I N 4.469 124.823 120.570 -0.359 0.000 2.644 619 I HA 0.531 4.700 4.170 -0.003 0.000 0.291 619 I C -1.471 174.167 176.117 -0.798 0.000 1.180 619 I CA -0.299 60.560 61.300 -0.736 0.000 1.040 619 I CB 2.431 40.209 38.000 -0.370 0.000 1.255 619 I HN 0.259 nan 8.210 nan 0.000 0.422 620 V N 10.641 129.831 119.914 -1.206 0.000 2.240 620 V HA 0.338 4.456 4.120 -0.003 0.000 0.265 620 V C -1.416 174.264 176.094 -0.689 0.000 1.073 620 V CA -0.994 60.761 62.300 -0.909 0.000 0.857 620 V CB 0.588 31.846 31.823 -0.942 0.000 1.114 620 V HN 0.708 nan 8.190 nan 0.000 0.469 621 P HA -0.223 nan 4.420 nan 0.000 0.217 621 P C 1.137 178.384 177.300 -0.087 0.000 1.148 621 P CA 1.805 64.842 63.100 -0.105 0.000 0.834 621 P CB 0.033 31.720 31.700 -0.022 0.000 0.783 622 Y N -2.263 117.978 120.300 -0.099 0.000 2.490 622 Y HA 0.261 4.809 4.550 -0.003 0.000 0.281 622 Y C 2.212 177.910 175.900 -0.337 0.000 1.174 622 Y CA -0.764 57.285 58.100 -0.083 0.000 1.295 622 Y CB -1.745 36.825 38.460 0.184 0.000 1.062 622 Y HN -0.183 nan 8.280 nan 0.000 0.522 623 I N 1.244 121.521 120.570 -0.488 0.000 2.264 623 I HA -0.248 3.920 4.170 -0.003 0.000 0.248 623 I C 2.669 178.438 176.117 -0.580 0.000 1.111 623 I CA 1.632 62.612 61.300 -0.534 0.000 1.382 623 I CB -0.751 36.902 38.000 -0.578 0.000 1.060 623 I HN 0.504 nan 8.210 nan 0.000 0.418 624 G N 1.104 109.412 108.800 -0.819 0.000 2.421 624 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.216 624 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.216 624 G C 1.697 176.459 174.900 -0.231 0.000 1.171 624 G CA 0.507 45.302 45.100 -0.508 0.000 0.775 624 G HN 0.279 nan 8.290 nan 0.000 0.543 625 L N 0.649 121.829 121.223 -0.072 0.000 2.141 625 L HA 0.015 4.353 4.340 -0.003 0.000 0.209 625 L C 3.357 180.369 176.870 0.237 0.000 1.094 625 L CA 0.827 55.774 54.840 0.178 0.000 0.763 625 L CB -0.285 41.955 42.059 0.302 0.000 0.908 625 L HN 0.308 nan 8.230 nan 0.000 0.437 626 A N -0.103 122.597 122.820 -0.201 0.000 1.898 626 A HA -0.067 4.251 4.320 -0.003 0.000 0.216 626 A C 2.021 179.565 177.584 -0.068 0.000 1.181 626 A CA 1.500 53.234 52.037 -0.506 0.000 0.620 626 A CB -0.228 17.988 19.000 -1.306 0.000 0.819 626 A HN 0.440 nan 8.150 nan 0.000 0.442 627 L N -3.058 118.049 121.223 -0.193 0.000 2.948 627 L HA 0.240 4.578 4.340 -0.003 0.000 0.259 627 L C 0.696 177.260 176.870 -0.510 0.000 1.136 627 L CA 0.350 55.072 54.840 -0.198 0.000 0.959 627 L CB 0.018 41.975 42.059 -0.171 0.000 1.370 627 L HN 0.385 nan 8.230 nan 0.000 0.552 628 N N 1.110 119.410 118.700 -0.666 0.000 2.716 628 N HA -0.199 4.539 4.740 -0.003 0.000 0.250 628 N C -0.411 174.824 175.510 -0.458 0.000 1.033 628 N CA 0.535 53.126 53.050 -0.764 0.000 0.727 628 N CB -0.935 36.578 38.487 -1.624 0.000 0.950 628 N HN 0.181 nan 8.380 nan 0.000 0.541 629 V N -0.045 119.688 119.914 -0.301 0.000 2.834 629 V HA 0.694 4.812 4.120 -0.003 0.000 0.301 629 V C 1.570 177.558 176.094 -0.176 0.000 1.066 629 V CA 1.019 63.187 62.300 -0.220 0.000 1.052 629 V CB 0.819 32.569 31.823 -0.122 0.000 1.021 629 V HN 0.939 nan 8.190 nan 0.000 0.480 630 G N 5.074 113.726 108.800 -0.246 0.000 2.528 630 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.262 630 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.262 630 G C 0.171 174.989 174.900 -0.137 0.000 1.200 630 G CA 0.365 45.341 45.100 -0.206 0.000 0.951 630 G HN 1.189 nan 8.290 nan 0.000 0.566 631 N N 2.818 121.476 118.700 -0.070 0.000 2.498 631 N HA 0.195 4.933 4.740 -0.003 0.000 0.277 631 N C 0.591 176.092 175.510 -0.016 0.000 1.208 631 N CA 0.856 53.883 53.050 -0.038 0.000 1.029 631 N CB -0.921 37.555 38.487 -0.018 0.000 1.403 631 N HN 0.569 nan 8.380 nan 0.000 0.500 632 E N 0.590 120.762 120.200 -0.048 0.000 1.666 632 E HA -0.245 4.103 4.350 -0.003 0.000 0.166 632 E C 0.250 176.844 176.600 -0.010 0.000 1.213 632 E CA 0.792 57.159 56.400 -0.055 0.000 0.524 632 E CB -0.894 28.791 29.700 -0.025 0.000 1.037 632 E HN 0.677 nan 8.360 nan 0.000 0.270 633 T N -3.104 111.450 114.554 -0.001 0.000 3.160 633 T HA 0.193 4.541 4.350 -0.003 0.000 0.257 633 T C 1.483 176.227 174.700 0.073 0.000 1.147 633 T CA 0.468 62.651 62.100 0.139 0.000 1.064 633 T CB 0.402 69.413 68.868 0.237 0.000 0.949 633 T HN 0.341 nan 8.240 nan 0.000 0.526 634 A N 0.959 123.745 122.820 -0.056 0.000 2.132 634 A HA 0.287 4.605 4.320 -0.003 0.000 0.213 634 A C 1.032 178.664 177.584 0.080 0.000 1.154 634 A CA -0.016 52.002 52.037 -0.031 0.000 0.753 634 A CB 0.004 18.888 19.000 -0.194 0.000 0.826 634 A HN 0.484 nan 8.150 nan 0.000 0.469 635 K N -0.309 120.134 120.400 0.073 0.000 2.118 635 K HA 0.494 4.812 4.320 -0.003 0.000 0.267 635 K C 0.790 177.455 176.600 0.109 0.000 0.991 635 K CA 0.240 56.583 56.287 0.094 0.000 0.916 635 K CB 1.105 33.648 32.500 0.071 0.000 1.041 635 K HN 0.452 nan 8.250 nan 0.000 0.455 636 G N 2.109 110.973 108.800 0.107 0.000 2.598 636 G HA2 -0.293 3.666 3.960 -0.003 0.000 0.244 636 G HA3 -0.293 3.666 3.960 -0.003 0.000 0.244 636 G C -0.680 174.296 174.900 0.127 0.000 1.302 636 G CA -0.523 44.639 45.100 0.103 0.000 0.903 636 G HN 0.683 nan 8.290 nan 0.000 0.575 637 N N 0.353 119.124 118.700 0.118 0.000 2.425 637 N HA 0.421 5.159 4.740 -0.003 0.000 0.268 637 N C 1.024 176.629 175.510 0.158 0.000 0.991 637 N CA -0.216 52.916 53.050 0.136 0.000 0.931 637 N CB 1.075 39.622 38.487 0.100 0.000 1.130 637 N HN 0.447 nan 8.380 nan 0.000 0.493 638 F N 3.918 123.907 119.950 0.064 0.000 2.075 638 F HA -0.129 4.393 4.527 -0.008 0.000 0.297 638 F C 2.246 178.109 175.800 0.106 0.000 1.113 638 F CA 1.765 59.807 58.000 0.071 0.000 1.218 638 F CB -0.124 38.893 39.000 0.028 0.000 0.984 638 F HN 0.706 nan 8.300 nan 0.000 0.472 639 E N 0.027 120.266 120.200 0.066 0.000 2.086 639 E HA -0.382 3.966 4.350 -0.003 0.000 0.200 639 E C 2.086 178.684 176.600 -0.003 0.000 1.012 639 E CA 1.905 58.307 56.400 0.003 0.000 0.812 639 E CB -0.451 29.277 29.700 0.047 0.000 0.743 639 E HN 0.521 nan 8.360 nan 0.000 0.453 640 N N -0.152 118.555 118.700 0.011 0.000 2.058 640 N HA -0.172 4.567 4.740 -0.003 0.000 0.191 640 N C 1.670 177.160 175.510 -0.033 0.000 1.037 640 N CA 2.034 55.090 53.050 0.010 0.000 0.848 640 N CB -0.372 38.134 38.487 0.031 0.000 1.021 640 N HN 0.224 nan 8.380 nan 0.000 0.422 641 A N -0.905 121.877 122.820 -0.064 0.000 2.024 641 A HA -0.094 4.224 4.320 -0.003 0.000 0.220 641 A C 2.086 179.572 177.584 -0.164 0.000 1.164 641 A CA 1.073 53.052 52.037 -0.096 0.000 0.643 641 A CB -1.064 17.895 19.000 -0.069 0.000 0.806 641 A HN 0.534 nan 8.150 nan 0.000 0.451 642 F N 0.793 120.498 119.950 -0.409 0.000 2.234 642 F HA -0.023 4.496 4.527 -0.014 0.000 0.296 642 F C 2.137 177.836 175.800 -0.169 0.000 1.089 642 F CA 1.667 59.441 58.000 -0.377 0.000 1.343 642 F CB -0.151 38.532 39.000 -0.529 0.000 1.040 642 F HN 0.349 nan 8.300 nan 0.000 0.498 643 E N 0.304 120.460 120.200 -0.074 0.000 2.153 643 E HA -0.197 4.151 4.350 -0.003 0.000 0.194 643 E C 2.274 178.783 176.600 -0.151 0.000 0.988 643 E CA 1.492 57.840 56.400 -0.087 0.000 0.811 643 E CB -0.127 29.573 29.700 0.001 0.000 0.746 643 E HN 0.488 nan 8.360 nan 0.000 0.466 644 I N 0.685 121.170 120.570 -0.142 0.000 2.185 644 I HA -0.143 4.026 4.170 -0.003 0.000 0.235 644 I C 2.328 178.344 176.117 -0.169 0.000 1.069 644 I CA 1.035 62.261 61.300 -0.124 0.000 1.354 644 I CB -0.131 37.819 38.000 -0.083 0.000 1.093 644 I HN 0.037 nan 8.210 nan 0.000 0.411 645 A N -0.012 122.691 122.820 -0.196 0.000 2.220 645 A HA 0.420 4.738 4.320 -0.003 0.000 0.211 645 A C 1.354 178.768 177.584 -0.283 0.000 1.176 645 A CA 0.706 52.632 52.037 -0.186 0.000 0.834 645 A CB -0.497 18.435 19.000 -0.114 0.000 0.868 645 A HN 0.585 nan 8.150 nan 0.000 0.488 646 G N -0.871 107.596 108.800 -0.555 0.000 2.539 646 G HA2 0.004 3.962 3.960 -0.003 0.000 0.256 646 G HA3 0.004 3.962 3.960 -0.003 0.000 0.256 646 G C 1.267 175.866 174.900 -0.501 0.000 1.233 646 G CA 0.778 45.313 45.100 -0.943 0.000 0.936 646 G HN 1.418 nan 8.290 nan 0.000 0.571 647 A N -1.019 121.713 122.820 -0.147 0.000 1.978 647 A HA 0.104 4.422 4.320 -0.003 0.000 0.220 647 A C 2.748 180.513 177.584 0.302 0.000 1.170 647 A CA 3.054 55.254 52.037 0.272 0.000 0.636 647 A CB -0.822 18.344 19.000 0.277 0.000 0.810 647 A HN 1.561 nan 8.150 nan 0.000 0.448 648 S N 0.048 115.866 115.700 0.196 0.000 2.402 648 S HA -0.205 4.263 4.470 -0.003 0.000 0.233 648 S C 1.743 176.381 174.600 0.062 0.000 1.030 648 S CA 1.555 59.839 58.200 0.140 0.000 1.003 648 S CB -0.746 62.533 63.200 0.133 0.000 0.813 648 S HN 0.842 nan 8.310 nan 0.000 0.477 649 I N -1.381 119.243 120.570 0.089 0.000 3.001 649 I HA 0.033 4.202 4.170 -0.003 0.000 0.268 649 I C 1.508 177.716 176.117 0.152 0.000 1.267 649 I CA 1.154 62.511 61.300 0.094 0.000 1.472 649 I CB -0.290 37.769 38.000 0.097 0.000 1.089 649 I HN 0.160 nan 8.210 nan 0.000 0.468 650 L N 0.819 122.180 121.223 0.231 0.000 2.477 650 L HA 0.263 4.601 4.340 -0.003 0.000 0.220 650 L C 0.908 177.777 176.870 -0.002 0.000 1.106 650 L CA -0.015 54.967 54.840 0.235 0.000 0.851 650 L CB 0.070 42.417 42.059 0.480 0.000 0.994 650 L HN 0.210 nan 8.230 nan 0.000 0.462 651 L N 0.485 121.614 121.223 -0.155 0.000 2.416 651 L HA -0.004 4.335 4.340 -0.003 0.000 0.272 651 L C 1.367 177.995 176.870 -0.403 0.000 1.161 651 L CA -0.062 54.543 54.840 -0.392 0.000 0.845 651 L CB 0.986 42.765 42.059 -0.467 0.000 1.119 651 L HN 0.006 nan 8.230 nan 0.000 0.464 652 E N 2.323 122.143 120.200 -0.633 0.000 2.274 652 E HA -0.042 4.307 4.350 -0.003 0.000 0.194 652 E C -0.600 175.663 176.600 -0.561 0.000 0.996 652 E CA 0.788 56.647 56.400 -0.902 0.000 0.840 652 E CB 0.293 28.864 29.700 -1.882 0.000 0.772 652 E HN 0.389 nan 8.360 nan 0.000 0.491 653 F N -0.199 119.463 119.950 -0.480 0.000 2.615 653 F HA 0.365 4.893 4.527 0.002 0.000 0.312 653 F C -1.490 174.204 175.800 -0.177 0.000 1.119 653 F CA -1.221 56.662 58.000 -0.195 0.000 0.979 653 F CB 1.218 40.230 39.000 0.019 0.000 1.266 653 F HN -0.299 nan 8.300 nan 0.000 0.444 654 I N 6.678 126.753 120.570 -0.824 0.000 2.287 654 I HA 0.271 4.439 4.170 -0.003 0.000 0.290 654 I C -2.187 173.479 176.117 -0.751 0.000 1.069 654 I CA -2.182 58.776 61.300 -0.570 0.000 1.237 654 I CB 0.366 38.154 38.000 -0.353 0.000 1.418 654 I HN 0.370 nan 8.210 nan 0.000 0.481 655 P HA 0.047 nan 4.420 nan 0.000 0.267 655 P C -0.251 177.035 177.300 -0.023 0.000 1.200 655 P CA 0.011 63.122 63.100 0.018 0.000 0.772 655 P CB 0.595 32.371 31.700 0.128 0.000 0.855 656 E N 2.139 122.378 120.200 0.065 0.000 2.044 656 E HA 0.185 4.533 4.350 -0.003 0.000 0.282 656 E C -0.159 176.466 176.600 0.042 0.000 1.031 656 E CA -0.392 56.029 56.400 0.035 0.000 0.824 656 E CB 0.271 30.013 29.700 0.070 0.000 1.076 656 E HN 0.362 nan 8.360 nan 0.000 0.395 657 L N 3.167 124.389 121.223 -0.001 0.000 2.436 657 L HA 0.184 4.522 4.340 -0.003 0.000 0.265 657 L C 0.053 176.903 176.870 -0.033 0.000 1.168 657 L CA -0.580 54.237 54.840 -0.038 0.000 0.815 657 L CB 0.203 42.223 42.059 -0.065 0.000 1.109 657 L HN 0.366 nan 8.230 nan 0.000 0.462 658 L N 4.277 125.463 121.223 -0.061 0.000 2.262 658 L HA 0.463 4.801 4.340 -0.003 0.000 0.288 658 L C -0.551 176.282 176.870 -0.063 0.000 1.035 658 L CA 0.381 55.207 54.840 -0.023 0.000 0.820 658 L CB 0.386 42.469 42.059 0.040 0.000 1.204 658 L HN 0.362 nan 8.230 nan 0.000 0.424 659 I N 7.180 127.717 120.570 -0.055 0.000 2.623 659 I HA 0.324 4.493 4.170 -0.003 0.000 0.275 659 I C -2.138 173.941 176.117 -0.065 0.000 1.108 659 I CA -1.545 59.708 61.300 -0.080 0.000 1.120 659 I CB 1.065 39.010 38.000 -0.092 0.000 1.249 659 I HN 0.479 nan 8.210 nan 0.000 0.500 660 P HA 0.036 nan 4.420 nan 0.000 0.268 660 P C -0.191 177.074 177.300 -0.059 0.000 1.208 660 P CA -0.195 62.878 63.100 -0.046 0.000 0.777 660 P CB 0.724 32.399 31.700 -0.042 0.000 0.875 661 V N 4.093 123.989 119.914 -0.031 0.000 2.370 661 V HA 0.003 4.121 4.120 -0.003 0.000 0.257 661 V C 0.405 176.489 176.094 -0.017 0.000 1.064 661 V CA -0.434 61.857 62.300 -0.015 0.000 0.975 661 V CB 0.480 32.310 31.823 0.012 0.000 1.067 661 V HN 0.296 nan 8.190 nan 0.000 0.485 662 V N 5.685 125.559 119.914 -0.067 0.000 2.583 662 V HA 0.025 4.143 4.120 -0.003 0.000 0.302 662 V C 1.511 177.614 176.094 0.014 0.000 1.033 662 V CA 0.727 62.937 62.300 -0.150 0.000 1.194 662 V CB -0.219 31.292 31.823 -0.520 0.000 0.879 662 V HN 0.979 nan 8.190 nan 0.000 0.482 663 G N 3.963 112.785 108.800 0.037 0.000 2.647 663 G HA2 0.368 4.326 3.960 -0.003 0.000 0.234 663 G HA3 0.368 4.326 3.960 -0.003 0.000 0.234 663 G C 0.389 175.472 174.900 0.304 0.000 1.252 663 G CA 0.093 45.277 45.100 0.139 0.000 0.846 663 G HN 1.299 nan 8.290 nan 0.000 0.589 664 A N 0.261 123.246 122.820 0.275 0.000 2.332 664 A HA 0.617 4.936 4.320 -0.003 0.000 0.258 664 A C -0.756 177.133 177.584 0.508 0.000 1.087 664 A CA -0.299 51.939 52.037 0.335 0.000 0.802 664 A CB 0.375 19.490 19.000 0.191 0.000 1.042 664 A HN 0.459 nan 8.150 nan 0.000 0.489 665 F N 0.830 120.860 119.950 0.133 0.000 2.361 665 F HA 0.380 4.906 4.527 -0.003 0.000 0.364 665 F C -0.027 175.793 175.800 0.032 0.000 1.120 665 F CA -0.855 57.198 58.000 0.089 0.000 1.102 665 F CB 1.133 40.190 39.000 0.095 0.000 1.183 665 F HN 0.298 nan 8.300 nan 0.000 0.476 666 L N 5.777 127.066 121.223 0.109 0.000 2.295 666 L HA 0.318 4.657 4.340 -0.003 0.000 0.288 666 L C -0.303 176.569 176.870 0.004 0.000 1.079 666 L CA -0.222 54.651 54.840 0.055 0.000 0.830 666 L CB 0.302 42.376 42.059 0.024 0.000 1.200 666 L HN 0.387 nan 8.230 nan 0.000 0.438 667 L N 3.670 124.896 121.223 0.005 0.000 2.326 667 L HA 0.359 4.697 4.340 -0.003 0.000 0.278 667 L C 0.332 177.203 176.870 0.001 0.000 1.092 667 L CA -0.174 54.610 54.840 -0.094 0.000 0.810 667 L CB 1.267 43.104 42.059 -0.371 0.000 1.153 667 L HN 0.591 nan 8.230 nan 0.000 0.439 668 E N 2.037 122.207 120.200 -0.050 0.000 2.156 668 E HA 0.262 4.610 4.350 -0.003 0.000 0.279 668 E C -1.010 175.449 176.600 -0.234 0.000 0.965 668 E CA -0.283 56.041 56.400 -0.126 0.000 0.789 668 E CB 1.665 31.258 29.700 -0.179 0.000 1.098 668 E HN 0.518 nan 8.360 nan 0.000 0.397 669 S N 3.466 119.040 115.700 -0.210 0.000 2.617 669 S HA 0.412 4.881 4.470 -0.003 0.000 0.283 669 S C -1.388 172.869 174.600 -0.571 0.000 1.189 669 S CA -0.476 57.579 58.200 -0.242 0.000 1.036 669 S CB 0.378 63.479 63.200 -0.165 0.000 1.014 669 S HN 0.447 nan 8.310 nan 0.000 0.522 670 Y N 4.276 124.543 120.300 -0.055 0.000 2.447 670 Y HA 0.376 4.924 4.550 -0.003 0.000 0.325 670 Y C 0.495 176.213 175.900 -0.304 0.000 0.976 670 Y CA -1.099 56.922 58.100 -0.133 0.000 1.280 670 Y CB 0.312 38.717 38.460 -0.090 0.000 1.104 670 Y HN 0.578 nan 8.280 nan 0.000 0.486 671 I N 0.067 120.433 120.570 -0.340 0.000 2.752 671 I HA 0.043 4.212 4.170 -0.003 0.000 0.289 671 I C 0.231 176.092 176.117 -0.428 0.000 1.197 671 I CA 0.339 61.178 61.300 -0.768 0.000 1.432 671 I CB 0.591 38.277 38.000 -0.522 0.000 1.359 671 I HN 0.673 nan 8.210 nan 0.000 0.571 672 D N 1.951 122.110 120.400 -0.402 0.000 2.946 672 D HA -0.227 4.411 4.640 -0.003 0.000 0.202 672 D C -0.060 176.274 176.300 0.058 0.000 1.068 672 D CA 1.161 55.229 54.000 0.113 0.000 1.011 672 D CB -0.974 39.882 40.800 0.093 0.000 1.105 672 D HN 0.820 nan 8.370 nan 0.000 0.425 673 N N 0.340 119.038 118.700 -0.003 0.000 2.439 673 N HA 0.167 4.906 4.740 -0.003 0.000 0.249 673 N C 0.966 176.508 175.510 0.053 0.000 1.003 673 N CA -0.061 52.991 53.050 0.004 0.000 0.942 673 N CB 1.417 39.877 38.487 -0.045 0.000 1.115 673 N HN 0.028 nan 8.380 nan 0.000 0.505 674 K N 2.853 123.286 120.400 0.054 0.000 2.167 674 K HA 0.128 4.447 4.320 -0.003 0.000 0.203 674 K C 1.170 177.806 176.600 0.060 0.000 1.052 674 K CA 1.058 57.391 56.287 0.076 0.000 0.956 674 K CB 0.283 32.821 32.500 0.064 0.000 0.735 674 K HN 0.441 nan 8.250 nan 0.000 0.451 675 N N 0.480 119.187 118.700 0.012 0.000 2.148 675 N HA -0.070 4.668 4.740 -0.003 0.000 0.186 675 N C 1.399 176.900 175.510 -0.016 0.000 1.031 675 N CA 1.056 54.104 53.050 -0.003 0.000 0.848 675 N CB -0.050 38.412 38.487 -0.042 0.000 1.005 675 N HN 0.136 nan 8.380 nan 0.000 0.427 676 K N 1.134 121.456 120.400 -0.130 0.000 2.009 676 K HA -0.015 4.303 4.320 -0.003 0.000 0.210 676 K C 2.186 178.872 176.600 0.144 0.000 1.049 676 K CA 0.847 56.996 56.287 -0.229 0.000 0.929 676 K CB -0.293 31.697 32.500 -0.851 0.000 0.714 676 K HN 0.112 nan 8.250 nan 0.000 0.440 677 I N 1.173 121.905 120.570 0.270 0.000 2.194 677 I HA -0.347 3.822 4.170 -0.003 0.000 0.246 677 I C 2.349 178.655 176.117 0.315 0.000 1.093 677 I CA 1.439 62.970 61.300 0.385 0.000 1.355 677 I CB -0.304 37.854 38.000 0.264 0.000 1.046 677 I HN 0.200 nan 8.210 nan 0.000 0.413 678 I N 0.515 121.207 120.570 0.203 0.000 2.110 678 I HA -0.305 3.863 4.170 -0.003 0.000 0.236 678 I C 2.503 178.699 176.117 0.132 0.000 1.068 678 I CA 1.411 62.805 61.300 0.157 0.000 1.333 678 I CB -0.468 37.604 38.000 0.119 0.000 1.054 678 I HN 0.129 nan 8.210 nan 0.000 0.402 679 K N 0.266 120.740 120.400 0.124 0.000 2.127 679 K HA -0.264 4.054 4.320 -0.003 0.000 0.212 679 K C 2.007 178.677 176.600 0.117 0.000 1.050 679 K CA 2.355 58.712 56.287 0.116 0.000 0.929 679 K CB -0.588 32.006 32.500 0.156 0.000 0.715 679 K HN 0.413 nan 8.250 nan 0.000 0.457 680 T N 1.640 116.298 114.554 0.174 0.000 2.595 680 T HA -0.150 4.198 4.350 -0.003 0.000 0.264 680 T C 1.948 176.665 174.700 0.028 0.000 1.058 680 T CA 1.554 63.732 62.100 0.130 0.000 1.166 680 T CB -0.321 68.657 68.868 0.183 0.000 0.863 680 T HN 0.156 nan 8.240 nan 0.000 0.415 681 I N 1.524 122.103 120.570 0.016 0.000 2.113 681 I HA -0.289 3.879 4.170 -0.003 0.000 0.242 681 I C 2.494 178.584 176.117 -0.045 0.000 1.057 681 I CA 1.641 62.924 61.300 -0.028 0.000 1.314 681 I CB -0.546 37.472 38.000 0.030 0.000 1.022 681 I HN 0.289 nan 8.210 nan 0.000 0.408 682 D N 0.648 121.023 120.400 -0.042 0.000 2.133 682 D HA -0.189 4.449 4.640 -0.003 0.000 0.195 682 D C 1.828 178.088 176.300 -0.067 0.000 0.997 682 D CA 1.605 55.548 54.000 -0.096 0.000 0.840 682 D CB -0.463 40.307 40.800 -0.050 0.000 0.947 682 D HN 0.558 nan 8.370 nan 0.000 0.452 683 N N 0.557 119.256 118.700 -0.001 0.000 2.188 683 N HA -0.088 4.650 4.740 -0.003 0.000 0.184 683 N C 1.915 177.478 175.510 0.087 0.000 1.018 683 N CA 0.738 53.807 53.050 0.032 0.000 0.858 683 N CB 0.016 38.518 38.487 0.025 0.000 0.989 683 N HN 0.051 nan 8.380 nan 0.000 0.426 684 A N 1.249 124.132 122.820 0.106 0.000 2.019 684 A HA -0.058 4.260 4.320 -0.003 0.000 0.219 684 A C 2.100 179.851 177.584 0.279 0.000 1.164 684 A CA 0.870 53.087 52.037 0.299 0.000 0.644 684 A CB -0.456 18.700 19.000 0.259 0.000 0.805 684 A HN 0.167 nan 8.150 nan 0.000 0.449 685 L N -0.408 120.850 121.223 0.059 0.000 2.023 685 L HA -0.134 4.204 4.340 -0.003 0.000 0.205 685 L C 3.053 180.038 176.870 0.191 0.000 1.073 685 L CA 1.850 56.663 54.840 -0.045 0.000 0.745 685 L CB -1.168 40.443 42.059 -0.746 0.000 0.900 685 L HN 0.597 nan 8.230 nan 0.000 0.435 686 T N -2.186 112.435 114.554 0.111 0.000 2.788 686 T HA -0.225 4.124 4.350 -0.003 0.000 0.268 686 T C 1.831 176.700 174.700 0.281 0.000 1.044 686 T CA 1.277 63.509 62.100 0.221 0.000 1.139 686 T CB -0.239 68.712 68.868 0.139 0.000 0.867 686 T HN -0.006 nan 8.240 nan 0.000 0.454 687 K N 1.676 122.245 120.400 0.282 0.000 2.147 687 K HA 0.003 4.321 4.320 -0.003 0.000 0.205 687 K C 2.501 179.364 176.600 0.438 0.000 1.049 687 K CA 0.867 57.349 56.287 0.326 0.000 0.936 687 K CB -0.450 32.239 32.500 0.316 0.000 0.722 687 K HN 0.308 nan 8.250 nan 0.000 0.446 688 R N 0.719 121.501 120.500 0.469 0.000 2.091 688 R HA -0.131 4.207 4.340 -0.003 0.000 0.238 688 R C 1.227 177.771 176.300 0.407 0.000 1.136 688 R CA 1.823 58.205 56.100 0.469 0.000 0.959 688 R CB -0.589 29.964 30.300 0.421 0.000 0.856 688 R HN 0.280 nan 8.270 nan 0.000 0.437 689 N N 1.255 120.153 118.700 0.331 0.000 2.120 689 N HA -0.191 4.547 4.740 -0.003 0.000 0.188 689 N C 1.618 177.337 175.510 0.347 0.000 1.024 689 N CA 1.374 54.586 53.050 0.270 0.000 0.852 689 N CB -0.407 38.223 38.487 0.238 0.000 1.003 689 N HN 0.471 nan 8.380 nan 0.000 0.424 690 E N 0.800 121.196 120.200 0.327 0.000 2.209 690 E HA -0.173 4.175 4.350 -0.003 0.000 0.196 690 E C 1.174 177.832 176.600 0.097 0.000 0.993 690 E CA 0.920 57.419 56.400 0.164 0.000 0.819 690 E CB 0.241 29.925 29.700 -0.026 0.000 0.745 690 E HN 0.124 nan 8.360 nan 0.000 0.477 691 K N -0.127 120.358 120.400 0.142 0.000 2.062 691 K HA -0.133 4.185 4.320 -0.003 0.000 0.205 691 K C 1.717 178.311 176.600 -0.009 0.000 1.051 691 K CA 0.938 57.225 56.287 0.000 0.000 0.941 691 K CB -0.517 31.882 32.500 -0.167 0.000 0.719 691 K HN 0.269 nan 8.250 nan 0.000 0.440 692 W N 1.564 122.793 121.300 -0.118 0.000 2.353 692 W HA -0.110 4.549 4.660 -0.002 0.000 0.319 692 W C 2.843 179.192 176.519 -0.283 0.000 1.207 692 W CA 1.638 58.825 57.345 -0.263 0.000 1.291 692 W CB -1.115 28.231 29.460 -0.191 0.000 1.159 692 W HN 0.045 nan 8.180 nan 0.000 0.478 693 S N 0.036 115.912 115.700 0.294 0.000 2.359 693 S HA -0.251 4.217 4.470 -0.003 0.000 0.223 693 S C 1.544 176.366 174.600 0.369 0.000 1.039 693 S CA 2.178 60.671 58.200 0.489 0.000 1.042 693 S CB -0.641 62.906 63.200 0.578 0.000 0.915 693 S HN 0.144 nan 8.310 nan 0.000 0.439 694 D N 0.345 120.850 120.400 0.175 0.000 2.182 694 D HA -0.089 4.549 4.640 -0.003 0.000 0.201 694 D C 1.786 178.082 176.300 -0.006 0.000 0.986 694 D CA 1.053 55.100 54.000 0.078 0.000 0.847 694 D CB -0.302 40.492 40.800 -0.011 0.000 0.942 694 D HN 0.407 nan 8.370 nan 0.000 0.467 695 M N -1.047 118.491 119.600 -0.103 0.000 2.200 695 M HA -0.067 4.411 4.480 -0.003 0.000 0.265 695 M C 1.590 177.821 176.300 -0.114 0.000 1.066 695 M CA 1.362 56.552 55.300 -0.185 0.000 1.127 695 M CB -0.452 31.927 32.600 -0.368 0.000 1.379 695 M HN 0.125 nan 8.290 nan 0.000 0.420 696 Y N -0.790 119.430 120.300 -0.135 0.000 2.163 696 Y HA -0.102 4.446 4.550 -0.003 0.000 0.288 696 Y C 2.349 177.907 175.900 -0.570 0.000 1.136 696 Y CA 0.576 58.512 58.100 -0.274 0.000 1.147 696 Y CB -0.722 37.740 38.460 0.003 0.000 0.987 696 Y HN 0.401 nan 8.280 nan 0.000 0.509 697 G N 0.193 108.689 108.800 -0.506 0.000 2.422 697 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.218 697 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.218 697 G C 1.522 176.356 174.900 -0.109 0.000 1.146 697 G CA 0.922 45.780 45.100 -0.403 0.000 0.769 697 G HN 0.293 nan 8.290 nan 0.000 0.547 698 L N 0.715 121.896 121.223 -0.071 0.000 2.046 698 L HA -0.013 4.325 4.340 -0.003 0.000 0.208 698 L C 2.450 179.246 176.870 -0.123 0.000 1.077 698 L CA 1.348 56.159 54.840 -0.049 0.000 0.747 698 L CB -0.386 41.639 42.059 -0.057 0.000 0.896 698 L HN 0.098 nan 8.230 nan 0.000 0.432 699 I N -1.037 119.447 120.570 -0.143 0.000 2.163 699 I HA -0.186 3.982 4.170 -0.003 0.000 0.240 699 I C 2.591 178.661 176.117 -0.079 0.000 1.081 699 I CA 1.184 62.387 61.300 -0.160 0.000 1.353 699 I CB -1.347 36.523 38.000 -0.216 0.000 1.054 699 I HN 0.093 nan 8.210 nan 0.000 0.407 700 V N 1.714 121.590 119.914 -0.063 0.000 2.282 700 V HA -0.319 3.800 4.120 -0.003 0.000 0.249 700 V C 2.881 179.092 176.094 0.194 0.000 1.057 700 V CA 2.039 64.424 62.300 0.142 0.000 1.032 700 V CB -1.368 30.537 31.823 0.137 0.000 0.645 700 V HN 0.476 nan 8.190 nan 0.000 0.447 701 A N -0.885 121.998 122.820 0.105 0.000 1.908 701 A HA -0.310 4.008 4.320 -0.003 0.000 0.218 701 A C 2.196 179.833 177.584 0.088 0.000 1.181 701 A CA 2.162 54.287 52.037 0.147 0.000 0.627 701 A CB -0.483 18.649 19.000 0.220 0.000 0.818 701 A HN 0.668 nan 8.150 nan 0.000 0.445 702 Q N -2.322 117.391 119.800 -0.145 0.000 2.123 702 Q HA -0.184 4.154 4.340 -0.003 0.000 0.199 702 Q C 1.928 177.929 176.000 0.002 0.000 0.966 702 Q CA 1.381 56.998 55.803 -0.311 0.000 0.845 702 Q CB -0.262 28.126 28.738 -0.585 0.000 0.907 702 Q HN 0.902 nan 8.270 nan 0.000 0.439 703 W N 1.642 122.890 121.300 -0.087 0.000 2.335 703 W HA -0.178 4.477 4.660 -0.009 0.000 0.311 703 W C 1.485 178.017 176.519 0.021 0.000 1.213 703 W CA 1.295 58.636 57.345 -0.007 0.000 1.274 703 W CB -0.449 29.009 29.460 -0.004 0.000 1.148 703 W HN 0.014 nan 8.180 nan 0.000 0.498 704 L N 0.860 121.957 121.223 -0.210 0.000 2.083 704 L HA -0.210 4.128 4.340 -0.003 0.000 0.209 704 L C 2.566 179.246 176.870 -0.317 0.000 1.083 704 L CA 1.958 56.554 54.840 -0.406 0.000 0.752 704 L CB -0.990 40.959 42.059 -0.184 0.000 0.899 704 L HN 0.188 nan 8.230 nan 0.000 0.433 705 S N -3.188 112.425 115.700 -0.146 0.000 2.540 705 S HA 0.015 4.483 4.470 -0.003 0.000 0.218 705 S C 1.414 176.053 174.600 0.066 0.000 0.977 705 S CA 0.338 58.471 58.200 -0.113 0.000 0.918 705 S CB 0.130 63.350 63.200 0.034 0.000 0.806 705 S HN 0.500 nan 8.310 nan 0.000 0.496 706 T N -2.444 112.132 114.554 0.037 0.000 2.980 706 T HA 0.346 4.695 4.350 -0.003 0.000 0.252 706 T C 1.332 176.027 174.700 -0.008 0.000 0.962 706 T CA 0.480 62.621 62.100 0.069 0.000 0.932 706 T CB -0.073 68.863 68.868 0.114 0.000 1.188 706 T HN 0.127 nan 8.240 nan 0.000 0.500 707 V N 1.860 121.730 119.914 -0.073 0.000 2.735 707 V HA 0.212 4.330 4.120 -0.003 0.000 0.234 707 V C 2.516 178.487 176.094 -0.206 0.000 1.121 707 V CA 1.120 63.322 62.300 -0.163 0.000 1.160 707 V CB -0.555 31.291 31.823 0.039 0.000 0.908 707 V HN 0.396 nan 8.190 nan 0.000 0.495 708 N N 0.969 119.477 118.700 -0.320 0.000 2.258 708 N HA -0.198 4.541 4.740 -0.003 0.000 0.187 708 N C 1.777 177.248 175.510 -0.066 0.000 1.012 708 N CA 2.164 55.058 53.050 -0.260 0.000 0.870 708 N CB -0.147 37.891 38.487 -0.747 0.000 0.977 708 N HN 0.693 nan 8.380 nan 0.000 0.434 709 T N -2.301 112.200 114.554 -0.088 0.000 2.777 709 T HA -0.129 4.219 4.350 -0.003 0.000 0.266 709 T C 1.715 176.525 174.700 0.184 0.000 1.040 709 T CA 0.997 63.124 62.100 0.045 0.000 1.141 709 T CB -0.492 68.413 68.868 0.062 0.000 0.868 709 T HN 0.271 nan 8.240 nan 0.000 0.444 710 Q N 0.326 120.185 119.800 0.098 0.000 2.096 710 Q HA -0.020 4.318 4.340 -0.003 0.000 0.204 710 Q C 2.109 178.178 176.000 0.115 0.000 0.982 710 Q CA 1.483 57.388 55.803 0.169 0.000 0.850 710 Q CB -0.474 28.175 28.738 -0.148 0.000 0.901 710 Q HN 0.611 nan 8.270 nan 0.000 0.422 711 F N -0.710 119.312 119.950 0.120 0.000 2.293 711 F HA -0.215 4.304 4.527 -0.014 0.000 0.300 711 F C 2.212 178.062 175.800 0.084 0.000 1.086 711 F CA 0.568 58.616 58.000 0.079 0.000 1.375 711 F CB -0.107 38.919 39.000 0.043 0.000 1.045 711 F HN 0.141 nan 8.300 nan 0.000 0.516 712 Y N 1.081 121.479 120.300 0.163 0.000 2.133 712 Y HA -0.236 4.312 4.550 -0.004 0.000 0.287 712 Y C 2.467 178.400 175.900 0.055 0.000 1.134 712 Y CA 2.065 60.216 58.100 0.086 0.000 1.133 712 Y CB -0.952 37.532 38.460 0.039 0.000 0.987 712 Y HN -0.130 nan 8.280 nan 0.000 0.502 713 T N 1.333 115.914 114.554 0.045 0.000 2.803 713 T HA -0.198 4.150 4.350 -0.003 0.000 0.269 713 T C 1.913 176.509 174.700 -0.172 0.000 1.052 713 T CA 1.984 63.983 62.100 -0.168 0.000 1.136 713 T CB -0.414 68.223 68.868 -0.386 0.000 0.864 713 T HN 0.388 nan 8.240 nan 0.000 0.467 714 I N 0.224 120.790 120.570 -0.007 0.000 2.406 714 I HA -0.082 4.087 4.170 -0.003 0.000 0.249 714 I C 2.494 178.603 176.117 -0.014 0.000 1.122 714 I CA 1.043 62.365 61.300 0.036 0.000 1.431 714 I CB -0.180 37.928 38.000 0.180 0.000 1.087 714 I HN 0.146 nan 8.210 nan 0.000 0.424 715 K N 0.526 120.898 120.400 -0.046 0.000 2.057 715 K HA -0.163 4.156 4.320 -0.003 0.000 0.207 715 K C 2.005 178.545 176.600 -0.101 0.000 1.049 715 K CA 1.092 57.342 56.287 -0.062 0.000 0.931 715 K CB -0.062 32.388 32.500 -0.083 0.000 0.714 715 K HN 0.222 nan 8.250 nan 0.000 0.440 716 E N 0.102 120.156 120.200 -0.244 0.000 2.106 716 E HA -0.110 4.238 4.350 -0.003 0.000 0.192 716 E C 2.190 178.774 176.600 -0.026 0.000 0.984 716 E CA 1.115 57.412 56.400 -0.171 0.000 0.806 716 E CB -0.394 29.129 29.700 -0.296 0.000 0.750 716 E HN 0.443 nan 8.360 nan 0.000 0.458 717 G N 1.081 109.847 108.800 -0.057 0.000 2.440 717 G HA2 -0.245 3.714 3.960 -0.003 0.000 0.218 717 G HA3 -0.245 3.714 3.960 -0.003 0.000 0.218 717 G C 1.532 176.436 174.900 0.007 0.000 1.154 717 G CA 0.853 45.943 45.100 -0.016 0.000 0.767 717 G HN 0.119 nan 8.290 nan 0.000 0.552 718 M N -0.654 118.950 119.600 0.007 0.000 2.175 718 M HA 0.069 4.547 4.480 -0.003 0.000 0.264 718 M C 2.281 178.620 176.300 0.064 0.000 1.063 718 M CA 0.498 55.811 55.300 0.022 0.000 1.119 718 M CB -1.199 31.424 32.600 0.040 0.000 1.377 718 M HN 0.405 nan 8.290 nan 0.000 0.415 719 Y N 1.355 121.637 120.300 -0.029 0.000 2.224 719 Y HA -0.198 4.349 4.550 -0.005 0.000 0.289 719 Y C 2.202 178.051 175.900 -0.084 0.000 1.146 719 Y CA 1.769 59.848 58.100 -0.035 0.000 1.182 719 Y CB -0.087 38.339 38.460 -0.056 0.000 0.983 719 Y HN 0.157 nan 8.280 nan 0.000 0.524 720 K N -0.401 119.937 120.400 -0.103 0.000 2.076 720 K HA -0.044 4.274 4.320 -0.003 0.000 0.204 720 K C 2.354 178.745 176.600 -0.349 0.000 1.051 720 K CA 0.840 56.934 56.287 -0.321 0.000 0.949 720 K CB -0.281 32.130 32.500 -0.149 0.000 0.726 720 K HN 0.360 nan 8.250 nan 0.000 0.443 721 A N 1.669 124.476 122.820 -0.021 0.000 1.858 721 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 721 A C 2.140 179.855 177.584 0.217 0.000 1.190 721 A CA 1.271 53.436 52.037 0.214 0.000 0.617 721 A CB -0.760 18.324 19.000 0.139 0.000 0.827 721 A HN 0.155 nan 8.150 nan 0.000 0.443 722 L N -0.166 121.135 121.223 0.131 0.000 2.079 722 L HA -0.221 4.117 4.340 -0.003 0.000 0.210 722 L C 2.547 179.442 176.870 0.042 0.000 1.081 722 L CA 1.336 56.258 54.840 0.137 0.000 0.752 722 L CB -0.536 41.594 42.059 0.118 0.000 0.896 722 L HN 0.509 nan 8.230 nan 0.000 0.433 723 N N -0.571 118.005 118.700 -0.207 0.000 2.142 723 N HA -0.196 4.542 4.740 -0.003 0.000 0.186 723 N C 1.974 177.406 175.510 -0.130 0.000 1.023 723 N CA 1.365 54.223 53.050 -0.320 0.000 0.852 723 N CB -0.038 38.083 38.487 -0.610 0.000 0.998 723 N HN 0.397 nan 8.380 nan 0.000 0.424 724 Y N 1.123 121.424 120.300 0.002 0.000 2.242 724 Y HA -0.127 4.420 4.550 -0.005 0.000 0.291 724 Y C 2.653 178.608 175.900 0.092 0.000 1.137 724 Y CA 0.474 58.607 58.100 0.054 0.000 1.181 724 Y CB 0.131 38.644 38.460 0.087 0.000 0.989 724 Y HN 0.066 nan 8.280 nan 0.000 0.527 725 Q N 0.086 120.025 119.800 0.232 0.000 2.084 725 Q HA -0.168 4.170 4.340 -0.003 0.000 0.202 725 Q C 2.573 178.734 176.000 0.268 0.000 0.978 725 Q CA 1.396 57.317 55.803 0.198 0.000 0.844 725 Q CB -0.744 27.989 28.738 -0.008 0.000 0.898 725 Q HN 0.526 nan 8.270 nan 0.000 0.426 726 A N 0.823 123.730 122.820 0.146 0.000 1.902 726 A HA -0.229 4.089 4.320 -0.003 0.000 0.217 726 A C 2.123 179.735 177.584 0.047 0.000 1.181 726 A CA 1.624 53.555 52.037 -0.176 0.000 0.623 726 A CB -0.511 18.341 19.000 -0.247 0.000 0.818 726 A HN 0.380 nan 8.150 nan 0.000 0.443 727 Q N -0.666 119.217 119.800 0.138 0.000 2.124 727 Q HA -0.044 4.294 4.340 -0.003 0.000 0.202 727 Q C 2.366 178.555 176.000 0.316 0.000 0.977 727 Q CA 1.419 57.376 55.803 0.255 0.000 0.850 727 Q CB -0.379 28.506 28.738 0.246 0.000 0.901 727 Q HN 0.693 nan 8.270 nan 0.000 0.429 728 A N 0.590 123.594 122.820 0.306 0.000 1.898 728 A HA -0.165 4.153 4.320 -0.003 0.000 0.216 728 A C 1.995 179.669 177.584 0.150 0.000 1.181 728 A CA 1.180 53.365 52.037 0.248 0.000 0.620 728 A CB -0.607 18.515 19.000 0.204 0.000 0.819 728 A HN 0.382 nan 8.150 nan 0.000 0.442 729 L N -0.068 121.248 121.223 0.154 0.000 2.131 729 L HA -0.106 4.232 4.340 -0.003 0.000 0.210 729 L C 2.137 179.083 176.870 0.127 0.000 1.092 729 L CA 2.692 57.603 54.840 0.119 0.000 0.759 729 L CB -0.620 41.484 42.059 0.075 0.000 0.903 729 L HN 0.492 nan 8.230 nan 0.000 0.435 730 E N -0.136 120.157 120.200 0.156 0.000 2.051 730 E HA -0.274 4.074 4.350 -0.003 0.000 0.192 730 E C 2.110 178.856 176.600 0.244 0.000 0.991 730 E CA 1.507 58.031 56.400 0.208 0.000 0.799 730 E CB -0.164 29.699 29.700 0.271 0.000 0.748 730 E HN 0.579 nan 8.360 nan 0.000 0.449 731 E N 0.300 120.632 120.200 0.221 0.000 2.038 731 E HA -0.162 4.187 4.350 -0.003 0.000 0.195 731 E C 2.029 178.727 176.600 0.163 0.000 1.000 731 E CA 1.824 58.324 56.400 0.168 0.000 0.803 731 E CB -0.411 29.302 29.700 0.020 0.000 0.750 731 E HN 0.415 nan 8.360 nan 0.000 0.448 732 I N 0.387 121.038 120.570 0.135 0.000 2.118 732 I HA -0.319 3.849 4.170 -0.003 0.000 0.241 732 I C 2.396 178.737 176.117 0.373 0.000 1.070 732 I CA 1.341 62.764 61.300 0.205 0.000 1.327 732 I CB -0.392 37.728 38.000 0.199 0.000 1.034 732 I HN 0.209 nan 8.210 nan 0.000 0.405 733 I N 0.619 121.443 120.570 0.423 0.000 2.163 733 I HA -0.336 3.833 4.170 -0.003 0.000 0.243 733 I C 2.564 179.047 176.117 0.610 0.000 1.085 733 I CA 1.634 63.282 61.300 0.580 0.000 1.347 733 I CB -0.459 37.764 38.000 0.371 0.000 1.044 733 I HN 0.208 nan 8.210 nan 0.000 0.408 734 K N -0.170 120.527 120.400 0.495 0.000 2.063 734 K HA -0.252 4.066 4.320 -0.003 0.000 0.208 734 K C 2.234 179.017 176.600 0.306 0.000 1.048 734 K CA 1.804 58.335 56.287 0.406 0.000 0.928 734 K CB -0.436 32.207 32.500 0.237 0.000 0.713 734 K HN 0.231 nan 8.250 nan 0.000 0.442 735 Y N 1.979 122.358 120.300 0.132 0.000 2.114 735 Y HA -0.216 4.332 4.550 -0.002 0.000 0.284 735 Y C 2.236 178.092 175.900 -0.072 0.000 1.143 735 Y CA 1.471 59.580 58.100 0.015 0.000 1.135 735 Y CB 0.063 38.511 38.460 -0.019 0.000 0.980 735 Y HN -0.069 nan 8.280 nan 0.000 0.499 736 R N -0.769 119.720 120.500 -0.018 0.000 2.091 736 R HA -0.233 4.106 4.340 -0.003 0.000 0.238 736 R C 2.158 178.009 176.300 -0.748 0.000 1.136 736 R CA 1.789 57.680 56.100 -0.349 0.000 0.959 736 R CB -1.759 28.508 30.300 -0.055 0.000 0.856 736 R HN 0.513 nan 8.270 nan 0.000 0.437 737 Y N 2.353 122.339 120.300 -0.523 0.000 2.181 737 Y HA -0.132 4.416 4.550 -0.003 0.000 0.288 737 Y C 1.541 177.247 175.900 -0.323 0.000 1.146 737 Y CA 1.422 59.240 58.100 -0.470 0.000 1.164 737 Y CB -0.305 38.237 38.460 0.138 0.000 0.982 737 Y HN 0.032 nan 8.280 nan 0.000 0.515 738 N N 0.134 118.652 118.700 -0.303 0.000 2.521 738 N HA -0.063 4.676 4.740 -0.003 0.000 0.188 738 N C 1.518 176.750 175.510 -0.463 0.000 1.146 738 N CA 0.498 53.332 53.050 -0.360 0.000 0.893 738 N CB 0.005 38.380 38.487 -0.187 0.000 0.975 738 N HN 0.373 nan 8.380 nan 0.000 0.451 739 I N 0.291 120.460 120.570 -0.668 0.000 2.617 739 I HA -0.090 4.079 4.170 -0.003 0.000 0.256 739 I C 0.659 176.498 176.117 -0.463 0.000 1.167 739 I CA 0.362 61.282 61.300 -0.634 0.000 1.469 739 I CB -0.688 36.843 38.000 -0.782 0.000 1.098 739 I HN 0.033 nan 8.210 nan 0.000 0.436 740 Y N 1.377 121.448 120.300 -0.381 0.000 2.385 740 Y HA 0.056 4.605 4.550 -0.003 0.000 0.346 740 Y C 1.576 177.304 175.900 -0.286 0.000 1.270 740 Y CA -0.678 57.224 58.100 -0.329 0.000 1.472 740 Y CB 0.407 38.632 38.460 -0.392 0.000 1.354 740 Y HN 0.035 nan 8.280 nan 0.000 0.611 741 S N 0.150 115.835 115.700 -0.025 0.000 2.632 741 S HA 0.104 4.573 4.470 -0.003 0.000 0.267 741 S C 0.739 175.280 174.600 -0.099 0.000 1.276 741 S CA -0.872 57.283 58.200 -0.075 0.000 0.998 741 S CB 1.271 64.437 63.200 -0.056 0.000 0.953 741 S HN 0.670 nan 8.310 nan 0.000 0.547 742 E N 0.840 120.986 120.200 -0.089 0.000 2.110 742 E HA -0.129 4.219 4.350 -0.003 0.000 0.193 742 E C 1.713 178.277 176.600 -0.060 0.000 0.988 742 E CA 0.806 57.158 56.400 -0.079 0.000 0.804 742 E CB -0.241 29.426 29.700 -0.055 0.000 0.745 742 E HN 0.584 nan 8.360 nan 0.000 0.458 743 K N 1.232 121.599 120.400 -0.055 0.000 2.057 743 K HA -0.161 4.157 4.320 -0.003 0.000 0.207 743 K C 1.846 178.412 176.600 -0.057 0.000 1.049 743 K CA 1.244 57.503 56.287 -0.046 0.000 0.931 743 K CB 0.009 32.483 32.500 -0.043 0.000 0.714 743 K HN 0.224 nan 8.250 nan 0.000 0.440 744 E N 0.118 120.266 120.200 -0.087 0.000 2.072 744 E HA -0.114 4.234 4.350 -0.003 0.000 0.190 744 E C 2.073 178.602 176.600 -0.118 0.000 0.982 744 E CA 0.823 57.143 56.400 -0.133 0.000 0.803 744 E CB 0.023 29.595 29.700 -0.215 0.000 0.755 744 E HN 0.249 nan 8.360 nan 0.000 0.453 745 K N 0.711 121.042 120.400 -0.115 0.000 2.103 745 K HA -0.099 4.219 4.320 -0.003 0.000 0.207 745 K C 2.324 178.974 176.600 0.082 0.000 1.048 745 K CA 1.249 57.503 56.287 -0.055 0.000 0.930 745 K CB -0.062 32.311 32.500 -0.211 0.000 0.716 745 K HN -0.055 nan 8.250 nan 0.000 0.444 746 S N 1.271 116.988 115.700 0.029 0.000 2.399 746 S HA -0.068 4.400 4.470 -0.003 0.000 0.231 746 S C 1.341 175.970 174.600 0.047 0.000 1.022 746 S CA 1.033 59.260 58.200 0.046 0.000 0.983 746 S CB -0.132 63.078 63.200 0.017 0.000 0.803 746 S HN 0.328 nan 8.310 nan 0.000 0.480 747 N N 0.579 119.292 118.700 0.022 0.000 2.336 747 N HA 0.224 4.963 4.740 -0.003 0.000 0.189 747 N C -0.042 175.491 175.510 0.038 0.000 1.113 747 N CA 0.192 53.252 53.050 0.017 0.000 0.858 747 N CB 0.303 38.782 38.487 -0.014 0.000 0.970 747 N HN 0.388 nan 8.380 nan 0.000 0.471 748 I N 1.577 122.198 120.570 0.085 0.000 2.395 748 I HA 0.040 4.208 4.170 -0.003 0.000 0.289 748 I C 0.255 176.470 176.117 0.164 0.000 1.023 748 I CA -0.473 60.919 61.300 0.154 0.000 1.350 748 I CB 0.751 38.931 38.000 0.300 0.000 1.409 748 I HN -0.166 nan 8.210 nan 0.000 0.507 749 N N 8.124 126.891 118.700 0.112 0.000 2.558 749 N HA 0.374 5.112 4.740 -0.003 0.000 0.233 749 N C -1.257 174.267 175.510 0.023 0.000 1.038 749 N CA -0.177 52.910 53.050 0.062 0.000 0.934 749 N CB 0.340 38.845 38.487 0.030 0.000 1.175 749 N HN 0.306 nan 8.380 nan 0.000 0.512 750 I N 1.504 122.075 120.570 0.003 0.000 2.686 750 I HA 0.274 4.442 4.170 -0.003 0.000 0.295 750 I C -0.800 175.254 176.117 -0.105 0.000 1.114 750 I CA -0.689 60.539 61.300 -0.120 0.000 1.038 750 I CB 2.092 39.949 38.000 -0.239 0.000 1.238 750 I HN 0.392 nan 8.210 nan 0.000 0.420 751 D N 4.849 125.149 120.400 -0.167 0.000 2.408 751 D HA 0.291 4.929 4.640 -0.003 0.000 0.261 751 D C 0.637 176.849 176.300 -0.148 0.000 1.190 751 D CA -0.427 53.520 54.000 -0.087 0.000 0.910 751 D CB 0.484 41.243 40.800 -0.067 0.000 1.097 751 D HN 0.231 nan 8.370 nan 0.000 0.522 752 F N 1.524 121.396 119.950 -0.131 0.000 2.307 752 F HA -0.133 4.392 4.527 -0.003 0.000 0.301 752 F C 2.018 177.710 175.800 -0.180 0.000 1.076 752 F CA 0.847 58.751 58.000 -0.161 0.000 1.383 752 F CB 0.026 38.932 39.000 -0.156 0.000 1.055 752 F HN 0.358 nan 8.300 nan 0.000 0.526 753 N N -0.513 118.195 118.700 0.014 0.000 2.416 753 N HA -0.153 4.585 4.740 -0.003 0.000 0.177 753 N C 1.658 177.132 175.510 -0.060 0.000 1.036 753 N CA 0.961 53.989 53.050 -0.037 0.000 0.901 753 N CB -0.345 38.137 38.487 -0.007 0.000 0.976 753 N HN 0.363 nan 8.380 nan 0.000 0.444 754 D N 1.068 121.424 120.400 -0.075 0.000 2.213 754 D HA 0.042 4.681 4.640 -0.003 0.000 0.205 754 D C 1.956 178.192 176.300 -0.108 0.000 0.961 754 D CA 0.202 54.156 54.000 -0.077 0.000 0.853 754 D CB 0.374 41.125 40.800 -0.081 0.000 0.967 754 D HN 0.163 nan 8.370 nan 0.000 0.496 755 I N 1.088 121.553 120.570 -0.175 0.000 2.202 755 I HA -0.248 3.920 4.170 -0.003 0.000 0.242 755 I C 2.139 178.167 176.117 -0.149 0.000 1.091 755 I CA 0.724 61.898 61.300 -0.209 0.000 1.368 755 I CB -0.284 37.514 38.000 -0.337 0.000 1.058 755 I HN -0.040 nan 8.210 nan 0.000 0.410 756 N N 0.193 118.774 118.700 -0.198 0.000 2.188 756 N HA -0.164 4.574 4.740 -0.003 0.000 0.184 756 N C 2.001 177.574 175.510 0.106 0.000 1.018 756 N CA 1.480 54.403 53.050 -0.211 0.000 0.858 756 N CB -0.346 37.700 38.487 -0.735 0.000 0.989 756 N HN 0.237 nan 8.380 nan 0.000 0.426 757 S N 0.868 116.586 115.700 0.029 0.000 2.368 757 S HA -0.043 4.425 4.470 -0.003 0.000 0.225 757 S C 1.760 176.401 174.600 0.068 0.000 1.030 757 S CA 1.106 59.347 58.200 0.068 0.000 0.999 757 S CB 0.094 63.310 63.200 0.026 0.000 0.844 757 S HN 0.223 nan 8.310 nan 0.000 0.459 758 K N 0.392 120.808 120.400 0.027 0.000 2.103 758 K HA 0.118 4.437 4.320 -0.003 0.000 0.204 758 K C 2.096 178.732 176.600 0.059 0.000 1.052 758 K CA 1.092 57.394 56.287 0.025 0.000 0.945 758 K CB -0.233 32.257 32.500 -0.017 0.000 0.722 758 K HN 0.362 nan 8.250 nan 0.000 0.443 759 L N 1.369 122.620 121.223 0.047 0.000 2.027 759 L HA -0.203 4.135 4.340 -0.003 0.000 0.206 759 L C 2.477 179.412 176.870 0.108 0.000 1.074 759 L CA 1.104 55.950 54.840 0.010 0.000 0.745 759 L CB -0.638 41.360 42.059 -0.103 0.000 0.898 759 L HN 0.375 nan 8.230 nan 0.000 0.433 760 N N 0.315 119.109 118.700 0.157 0.000 2.223 760 N HA -0.253 4.485 4.740 -0.003 0.000 0.185 760 N C 1.817 177.394 175.510 0.111 0.000 1.016 760 N CA 1.508 54.625 53.050 0.112 0.000 0.863 760 N CB 0.195 38.777 38.487 0.158 0.000 0.983 760 N HN 0.281 nan 8.380 nan 0.000 0.429 761 E N 0.403 120.669 120.200 0.109 0.000 2.047 761 E HA -0.031 4.317 4.350 -0.003 0.000 0.191 761 E C 1.942 178.603 176.600 0.102 0.000 0.987 761 E CA 1.677 58.132 56.400 0.092 0.000 0.799 761 E CB -1.022 28.719 29.700 0.070 0.000 0.752 761 E HN 0.410 nan 8.360 nan 0.000 0.449 762 G N 0.921 109.797 108.800 0.127 0.000 2.442 762 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.219 762 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.219 762 G C 1.715 176.705 174.900 0.150 0.000 1.141 762 G CA 1.072 46.252 45.100 0.133 0.000 0.763 762 G HN 0.332 nan 8.290 nan 0.000 0.554 763 I N 0.785 121.471 120.570 0.194 0.000 2.163 763 I HA -0.157 4.011 4.170 -0.003 0.000 0.240 763 I C 2.501 178.704 176.117 0.145 0.000 1.081 763 I CA 0.919 62.324 61.300 0.176 0.000 1.353 763 I CB -0.317 37.760 38.000 0.129 0.000 1.054 763 I HN 0.073 nan 8.210 nan 0.000 0.407 764 N N 0.834 119.613 118.700 0.131 0.000 2.149 764 N HA -0.226 4.512 4.740 -0.003 0.000 0.188 764 N C 1.829 177.403 175.510 0.107 0.000 1.019 764 N CA 1.313 54.440 53.050 0.127 0.000 0.857 764 N CB -0.349 38.203 38.487 0.109 0.000 0.997 764 N HN 0.469 nan 8.380 nan 0.000 0.426 765 Q N -0.012 119.843 119.800 0.091 0.000 2.124 765 Q HA 0.024 4.363 4.340 -0.003 0.000 0.202 765 Q C 1.995 178.039 176.000 0.075 0.000 0.977 765 Q CA 1.423 57.268 55.803 0.070 0.000 0.850 765 Q CB -0.060 28.708 28.738 0.051 0.000 0.901 765 Q HN 0.419 nan 8.270 nan 0.000 0.429 766 A N 0.775 123.655 122.820 0.100 0.000 1.897 766 A HA -0.133 4.185 4.320 -0.003 0.000 0.215 766 A C 1.949 179.606 177.584 0.122 0.000 1.181 766 A CA 0.792 52.901 52.037 0.121 0.000 0.620 766 A CB -0.390 18.722 19.000 0.187 0.000 0.821 766 A HN 0.237 nan 8.150 nan 0.000 0.443 767 I N 0.975 121.631 120.570 0.142 0.000 2.194 767 I HA -0.244 3.924 4.170 -0.003 0.000 0.246 767 I C 1.757 177.939 176.117 0.109 0.000 1.093 767 I CA 1.732 63.122 61.300 0.149 0.000 1.355 767 I CB -1.445 36.672 38.000 0.195 0.000 1.046 767 I HN 0.312 nan 8.210 nan 0.000 0.413 768 D N 0.787 121.243 120.400 0.094 0.000 2.117 768 D HA -0.155 4.483 4.640 -0.003 0.000 0.197 768 D C 1.918 178.259 176.300 0.069 0.000 0.987 768 D CA 0.990 55.036 54.000 0.076 0.000 0.829 768 D CB -0.317 40.522 40.800 0.066 0.000 0.961 768 D HN 0.354 nan 8.370 nan 0.000 0.460 769 N N 0.705 119.440 118.700 0.057 0.000 2.106 769 N HA -0.066 4.672 4.740 -0.003 0.000 0.188 769 N C 2.201 177.751 175.510 0.067 0.000 1.029 769 N CA 0.452 53.525 53.050 0.038 0.000 0.848 769 N CB -0.281 38.200 38.487 -0.009 0.000 1.007 769 N HN 0.262 nan 8.380 nan 0.000 0.423 770 I N 1.485 122.094 120.570 0.064 0.000 2.208 770 I HA -0.275 3.894 4.170 -0.003 0.000 0.245 770 I C 1.561 177.755 176.117 0.129 0.000 1.097 770 I CA 1.019 62.380 61.300 0.103 0.000 1.363 770 I CB -0.281 37.767 38.000 0.081 0.000 1.051 770 I HN 0.088 nan 8.210 nan 0.000 0.413 771 N N 1.005 119.763 118.700 0.096 0.000 2.106 771 N HA -0.149 4.589 4.740 -0.003 0.000 0.188 771 N C 1.565 177.121 175.510 0.077 0.000 1.029 771 N CA 1.202 54.299 53.050 0.078 0.000 0.848 771 N CB -0.495 38.037 38.487 0.075 0.000 1.007 771 N HN 0.311 nan 8.380 nan 0.000 0.423 772 N N 0.289 119.044 118.700 0.092 0.000 2.069 772 N HA -0.160 4.579 4.740 -0.003 0.000 0.191 772 N C 1.635 177.209 175.510 0.106 0.000 1.031 772 N CA 0.715 53.821 53.050 0.093 0.000 0.852 772 N CB -0.541 37.999 38.487 0.088 0.000 1.018 772 N HN 0.197 nan 8.380 nan 0.000 0.423 773 F N 2.471 122.400 119.950 -0.036 0.000 2.046 773 F HA -0.134 4.385 4.527 -0.014 0.000 0.297 773 F C 2.197 177.944 175.800 -0.089 0.000 1.123 773 F CA 1.117 59.074 58.000 -0.072 0.000 1.199 773 F CB -0.433 38.492 39.000 -0.125 0.000 0.972 773 F HN -0.127 nan 8.300 nan 0.000 0.474 774 I N 0.921 121.329 120.570 -0.270 0.000 2.226 774 I HA -0.313 3.855 4.170 -0.003 0.000 0.245 774 I C 2.066 177.950 176.117 -0.389 0.000 1.100 774 I CA 1.326 62.360 61.300 -0.443 0.000 1.374 774 I CB -1.663 36.247 38.000 -0.151 0.000 1.057 774 I HN 0.249 nan 8.210 nan 0.000 0.413 775 N N 1.233 119.853 118.700 -0.134 0.000 2.166 775 N HA -0.117 4.621 4.740 -0.003 0.000 0.186 775 N C 1.990 177.487 175.510 -0.023 0.000 1.019 775 N CA 1.474 54.514 53.050 -0.017 0.000 0.856 775 N CB -0.622 37.912 38.487 0.079 0.000 0.993 775 N HN 0.431 nan 8.380 nan 0.000 0.426 776 G N 0.543 109.307 108.800 -0.060 0.000 2.421 776 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.216 776 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.216 776 G C 1.908 176.779 174.900 -0.048 0.000 1.171 776 G CA 1.004 46.121 45.100 0.028 0.000 0.775 776 G HN 0.357 nan 8.290 nan 0.000 0.543 777 C N 0.147 119.246 119.300 -0.336 0.000 2.432 777 C HA -0.029 4.429 4.460 -0.003 0.000 0.277 777 C C 3.328 178.157 174.990 -0.269 0.000 1.249 777 C CA 1.302 60.095 59.018 -0.374 0.000 1.725 777 C CB -0.934 26.332 27.740 -0.791 0.000 2.028 777 C HN 0.475 nan 8.230 nan 0.000 0.477 778 S N 0.403 115.848 115.700 -0.426 0.000 2.370 778 S HA -0.155 4.313 4.470 -0.003 0.000 0.226 778 S C 1.802 176.644 174.600 0.405 0.000 1.033 778 S CA 2.044 60.380 58.200 0.228 0.000 1.011 778 S CB -0.221 63.201 63.200 0.369 0.000 0.852 778 S HN 0.416 nan 8.310 nan 0.000 0.457 779 V N 0.993 120.981 119.914 0.124 0.000 2.427 779 V HA -0.073 4.045 4.120 -0.003 0.000 0.248 779 V C 2.654 178.447 176.094 -0.503 0.000 1.051 779 V CA 1.835 63.992 62.300 -0.238 0.000 1.048 779 V CB -1.001 30.648 31.823 -0.289 0.000 0.666 779 V HN 0.609 nan 8.190 nan 0.000 0.456 780 S N -0.745 114.801 115.700 -0.257 0.000 2.353 780 S HA -0.289 4.179 4.470 -0.003 0.000 0.222 780 S C 2.022 176.562 174.600 -0.099 0.000 1.035 780 S CA 2.024 60.159 58.200 -0.108 0.000 1.025 780 S CB -0.475 62.791 63.200 0.109 0.000 0.902 780 S HN 0.652 nan 8.310 nan 0.000 0.440 781 Y N 1.344 121.611 120.300 -0.056 0.000 2.274 781 Y HA -0.064 4.479 4.550 -0.012 0.000 0.290 781 Y C 2.047 177.860 175.900 -0.145 0.000 1.145 781 Y CA 1.610 59.704 58.100 -0.011 0.000 1.203 781 Y CB -0.392 38.198 38.460 0.217 0.000 0.984 781 Y HN 0.375 nan 8.280 nan 0.000 0.533 782 L N -0.394 120.693 121.223 -0.228 0.000 1.976 782 L HA -0.239 4.099 4.340 -0.003 0.000 0.209 782 L C 2.027 178.599 176.870 -0.497 0.000 1.071 782 L CA 1.989 56.473 54.840 -0.594 0.000 0.746 782 L CB -0.764 40.525 42.059 -1.282 0.000 0.890 782 L HN 0.158 nan 8.230 nan 0.000 0.432 783 M N -0.695 118.644 119.600 -0.435 0.000 2.229 783 M HA -0.138 4.340 4.480 -0.003 0.000 0.264 783 M C 2.114 178.299 176.300 -0.193 0.000 1.063 783 M CA 1.623 56.759 55.300 -0.273 0.000 1.114 783 M CB -0.973 31.516 32.600 -0.185 0.000 1.387 783 M HN 0.323 nan 8.290 nan 0.000 0.420 784 K N -0.808 119.410 120.400 -0.304 0.000 2.365 784 K HA 0.073 4.391 4.320 -0.003 0.000 0.195 784 K C 1.667 178.044 176.600 -0.372 0.000 1.079 784 K CA 0.193 56.247 56.287 -0.388 0.000 0.979 784 K CB 0.642 32.781 32.500 -0.602 0.000 0.929 784 K HN 0.021 nan 8.250 nan 0.000 0.523 785 K N -0.147 119.940 120.400 -0.522 0.000 2.360 785 K HA 0.268 4.586 4.320 -0.003 0.000 0.196 785 K C 1.392 177.696 176.600 -0.494 0.000 1.049 785 K CA 0.511 56.414 56.287 -0.640 0.000 1.049 785 K CB 0.718 32.415 32.500 -1.338 0.000 0.881 785 K HN 0.143 nan 8.250 nan 0.000 0.542 786 M N -0.631 118.727 119.600 -0.402 0.000 2.817 786 M HA 0.154 4.632 4.480 -0.003 0.000 0.228 786 M C 1.589 177.738 176.300 -0.250 0.000 1.644 786 M CA 0.148 55.279 55.300 -0.282 0.000 1.177 786 M CB 0.156 32.610 32.600 -0.242 0.000 1.302 786 M HN -0.169 nan 8.290 nan 0.000 0.565 787 I N 1.372 121.760 120.570 -0.303 0.000 2.163 787 I HA -0.163 4.005 4.170 -0.003 0.000 0.243 787 I C -0.580 175.468 176.117 -0.115 0.000 1.085 787 I CA 1.997 63.137 61.300 -0.267 0.000 1.347 787 I CB -2.327 35.467 38.000 -0.343 0.000 1.044 787 I HN 0.112 nan 8.210 nan 0.000 0.408 788 P HA -0.117 nan 4.420 nan 0.000 0.216 788 P C 2.196 179.462 177.300 -0.056 0.000 1.153 788 P CA 1.206 64.293 63.100 -0.022 0.000 0.848 788 P CB -0.048 31.669 31.700 0.028 0.000 0.787 789 L N -1.533 119.635 121.223 -0.091 0.000 2.265 789 L HA -0.158 4.180 4.340 -0.003 0.000 0.215 789 L C 2.265 179.070 176.870 -0.110 0.000 1.117 789 L CA 1.424 56.208 54.840 -0.093 0.000 0.782 789 L CB -0.936 41.059 42.059 -0.106 0.000 0.914 789 L HN 0.005 nan 8.230 nan 0.000 0.441 790 A N -0.600 122.144 122.820 -0.128 0.000 1.911 790 A HA -0.023 4.295 4.320 -0.003 0.000 0.212 790 A C 2.280 179.725 177.584 -0.231 0.000 1.189 790 A CA 0.594 52.528 52.037 -0.172 0.000 0.639 790 A CB -0.485 18.423 19.000 -0.153 0.000 0.839 790 A HN 0.102 nan 8.150 nan 0.000 0.449 791 V N 0.621 120.441 119.914 -0.157 0.000 2.392 791 V HA -0.319 3.799 4.120 -0.003 0.000 0.249 791 V C 2.519 178.523 176.094 -0.149 0.000 1.059 791 V CA 2.473 64.669 62.300 -0.173 0.000 1.051 791 V CB -0.701 31.136 31.823 0.022 0.000 0.658 791 V HN 0.796 nan 8.190 nan 0.000 0.455 792 E N 0.062 120.208 120.200 -0.089 0.000 2.049 792 E HA -0.280 4.069 4.350 -0.003 0.000 0.198 792 E C 2.319 178.874 176.600 -0.075 0.000 1.007 792 E CA 1.530 57.897 56.400 -0.055 0.000 0.809 792 E CB -0.035 29.639 29.700 -0.043 0.000 0.749 792 E HN 0.425 nan 8.360 nan 0.000 0.450 793 K N 0.426 120.757 120.400 -0.116 0.000 2.026 793 K HA -0.132 4.186 4.320 -0.003 0.000 0.208 793 K C 2.393 178.919 176.600 -0.124 0.000 1.048 793 K CA 0.993 57.217 56.287 -0.107 0.000 0.929 793 K CB -0.614 31.806 32.500 -0.132 0.000 0.713 793 K HN 0.298 nan 8.250 nan 0.000 0.439 794 L N 0.891 121.923 121.223 -0.317 0.000 2.079 794 L HA -0.186 4.152 4.340 -0.003 0.000 0.210 794 L C 2.494 179.339 176.870 -0.042 0.000 1.081 794 L CA 0.980 55.537 54.840 -0.471 0.000 0.752 794 L CB -0.451 40.687 42.059 -1.535 0.000 0.896 794 L HN 0.120 nan 8.230 nan 0.000 0.433 795 L N -0.541 120.678 121.223 -0.008 0.000 2.093 795 L HA -0.218 4.120 4.340 -0.003 0.000 0.208 795 L C 2.216 179.142 176.870 0.094 0.000 1.085 795 L CA 1.337 56.269 54.840 0.153 0.000 0.755 795 L CB -0.469 41.663 42.059 0.121 0.000 0.904 795 L HN 0.308 nan 8.230 nan 0.000 0.435 796 D N -0.024 120.407 120.400 0.051 0.000 2.144 796 D HA -0.271 4.367 4.640 -0.003 0.000 0.200 796 D C 2.016 178.343 176.300 0.044 0.000 0.978 796 D CA 1.030 55.052 54.000 0.036 0.000 0.833 796 D CB -0.036 40.779 40.800 0.025 0.000 0.961 796 D HN 0.227 nan 8.370 nan 0.000 0.470 797 F N 1.037 120.962 119.950 -0.041 0.000 2.134 797 F HA -0.100 4.425 4.527 -0.003 0.000 0.299 797 F C 1.703 177.488 175.800 -0.026 0.000 1.097 797 F CA 1.533 59.503 58.000 -0.051 0.000 1.264 797 F CB -0.530 38.421 39.000 -0.082 0.000 1.001 797 F HN -0.138 nan 8.300 nan 0.000 0.479 798 D N 0.204 120.519 120.400 -0.142 0.000 2.087 798 D HA -0.254 4.384 4.640 -0.003 0.000 0.192 798 D C 2.156 178.312 176.300 -0.241 0.000 0.993 798 D CA 1.748 55.632 54.000 -0.194 0.000 0.828 798 D CB -0.762 40.107 40.800 0.115 0.000 0.968 798 D HN 0.480 nan 8.370 nan 0.000 0.448 799 N N -0.632 117.996 118.700 -0.120 0.000 2.018 799 N HA -0.180 4.558 4.740 -0.003 0.000 0.196 799 N C 1.489 176.912 175.510 -0.145 0.000 1.043 799 N CA 1.858 54.850 53.050 -0.097 0.000 0.856 799 N CB 0.021 38.481 38.487 -0.045 0.000 1.042 799 N HN 0.047 nan 8.380 nan 0.000 0.423 800 T N 1.215 115.666 114.554 -0.172 0.000 2.778 800 T HA -0.166 4.182 4.350 -0.003 0.000 0.269 800 T C 1.752 176.304 174.700 -0.247 0.000 1.050 800 T CA 0.948 62.949 62.100 -0.166 0.000 1.137 800 T CB -0.229 68.564 68.868 -0.126 0.000 0.860 800 T HN 0.214 nan 8.240 nan 0.000 0.468 801 L N 0.781 121.728 121.223 -0.460 0.000 2.179 801 L HA 0.206 4.544 4.340 -0.003 0.000 0.208 801 L C 2.246 178.968 176.870 -0.248 0.000 1.096 801 L CA 1.634 56.182 54.840 -0.486 0.000 0.779 801 L CB -0.430 41.096 42.059 -0.889 0.000 0.922 801 L HN 0.042 nan 8.230 nan 0.000 0.443 802 K N 0.246 120.529 120.400 -0.194 0.000 2.009 802 K HA -0.255 4.063 4.320 -0.003 0.000 0.210 802 K C 2.151 178.718 176.600 -0.055 0.000 1.049 802 K CA 2.171 58.400 56.287 -0.096 0.000 0.929 802 K CB -0.122 32.335 32.500 -0.072 0.000 0.714 802 K HN 0.519 nan 8.250 nan 0.000 0.440 803 K N 0.283 120.652 120.400 -0.052 0.000 2.026 803 K HA -0.190 4.128 4.320 -0.003 0.000 0.208 803 K C 2.004 178.606 176.600 0.003 0.000 1.048 803 K CA 1.650 57.925 56.287 -0.019 0.000 0.929 803 K CB -0.590 31.899 32.500 -0.018 0.000 0.713 803 K HN 0.087 nan 8.250 nan 0.000 0.439 804 N N 1.554 120.245 118.700 -0.015 0.000 2.091 804 N HA -0.178 4.560 4.740 -0.003 0.000 0.193 804 N C 1.729 177.277 175.510 0.063 0.000 1.021 804 N CA 1.482 54.544 53.050 0.021 0.000 0.862 804 N CB -0.096 38.382 38.487 -0.016 0.000 1.018 804 N HN 0.346 nan 8.380 nan 0.000 0.429 805 L N 0.199 121.437 121.223 0.025 0.000 2.131 805 L HA -0.024 4.314 4.340 -0.003 0.000 0.206 805 L C 2.395 179.337 176.870 0.120 0.000 1.087 805 L CA 0.352 55.228 54.840 0.061 0.000 0.767 805 L CB -0.267 41.793 42.059 0.002 0.000 0.917 805 L HN 0.145 nan 8.230 nan 0.000 0.441 806 L N -0.227 121.038 121.223 0.070 0.000 1.988 806 L HA -0.206 4.133 4.340 -0.003 0.000 0.207 806 L C 2.442 179.363 176.870 0.084 0.000 1.071 806 L CA 1.241 56.120 54.840 0.064 0.000 0.744 806 L CB -0.833 41.245 42.059 0.031 0.000 0.893 806 L HN 0.367 nan 8.230 nan 0.000 0.433 807 N N -0.204 118.543 118.700 0.078 0.000 2.334 807 N HA -0.285 4.453 4.740 -0.003 0.000 0.187 807 N C 1.838 177.413 175.510 0.107 0.000 1.016 807 N CA 1.561 54.656 53.050 0.075 0.000 0.879 807 N CB -0.014 38.514 38.487 0.067 0.000 0.965 807 N HN 0.403 nan 8.380 nan 0.000 0.438 808 Y N 0.962 121.277 120.300 0.025 0.000 2.231 808 Y HA 0.164 4.712 4.550 -0.003 0.000 0.294 808 Y C 2.285 178.213 175.900 0.046 0.000 1.120 808 Y CA 0.950 59.072 58.100 0.036 0.000 1.141 808 Y CB -0.228 38.256 38.460 0.040 0.000 1.022 808 Y HN -0.039 nan 8.280 nan 0.000 0.523 809 I N 0.288 120.965 120.570 0.179 0.000 2.700 809 I HA -0.244 3.924 4.170 -0.003 0.000 0.261 809 I C 1.933 178.057 176.117 0.012 0.000 1.219 809 I CA 1.319 62.674 61.300 0.092 0.000 1.463 809 I CB -0.355 37.708 38.000 0.106 0.000 1.092 809 I HN 0.392 nan 8.210 nan 0.000 0.452 810 D N 1.270 121.673 120.400 0.005 0.000 2.106 810 D HA -0.141 4.497 4.640 -0.003 0.000 0.203 810 D C 1.872 178.150 176.300 -0.037 0.000 0.977 810 D CA 1.103 55.098 54.000 -0.009 0.000 0.844 810 D CB 0.106 40.911 40.800 0.007 0.000 1.002 810 D HN 0.339 nan 8.370 nan 0.000 0.461 811 E N 0.134 120.297 120.200 -0.061 0.000 2.267 811 E HA -0.125 4.223 4.350 -0.003 0.000 0.197 811 E C 0.871 177.451 176.600 -0.033 0.000 0.998 811 E CA 0.589 56.953 56.400 -0.059 0.000 0.830 811 E CB 0.041 29.692 29.700 -0.081 0.000 0.751 811 E HN 0.250 nan 8.360 nan 0.000 0.491 812 N N 0.788 119.449 118.700 -0.065 0.000 2.204 812 N HA -0.002 4.736 4.740 -0.003 0.000 0.219 812 N C 0.999 176.527 175.510 0.030 0.000 1.151 812 N CA 0.105 53.215 53.050 0.100 0.000 0.867 812 N CB 0.504 39.004 38.487 0.020 0.000 1.043 812 N HN 0.260 nan 8.380 nan 0.000 0.516 813 K N 0.641 121.016 120.400 -0.040 0.000 2.242 813 K HA -0.150 4.169 4.320 -0.003 0.000 0.206 813 K C 1.607 178.144 176.600 -0.106 0.000 1.045 813 K CA 0.996 57.254 56.287 -0.049 0.000 0.930 813 K CB -0.204 32.267 32.500 -0.048 0.000 0.726 813 K HN 0.126 nan 8.250 nan 0.000 0.462 814 L N 0.278 121.351 121.223 -0.251 0.000 1.973 814 L HA -0.142 4.196 4.340 -0.003 0.000 0.208 814 L C 1.991 178.655 176.870 -0.343 0.000 1.073 814 L CA 1.296 55.890 54.840 -0.410 0.000 0.746 814 L CB -0.461 41.137 42.059 -0.769 0.000 0.891 814 L HN 0.174 nan 8.230 nan 0.000 0.433 815 Y N -0.296 119.996 120.300 -0.014 0.000 2.749 815 Y HA -0.086 4.462 4.550 -0.003 0.000 0.321 815 Y C 1.721 177.629 175.900 0.013 0.000 1.195 815 Y CA 0.193 58.293 58.100 -0.000 0.000 1.338 815 Y CB -0.592 37.868 38.460 0.000 0.000 1.017 815 Y HN 0.198 nan 8.280 nan 0.000 0.517 816 L N -1.440 119.833 121.223 0.083 0.000 2.840 816 L HA 0.195 4.533 4.340 -0.003 0.000 0.249 816 L C 1.090 177.989 176.870 0.047 0.000 1.119 816 L CA -0.131 54.758 54.840 0.082 0.000 0.930 816 L CB 0.109 42.218 42.059 0.083 0.000 1.295 816 L HN 0.154 nan 8.230 nan 0.000 0.534 817 I N 0.556 121.130 120.570 0.007 0.000 4.908 817 I HA -0.362 3.806 4.170 -0.003 0.000 0.038 817 I C 1.221 177.347 176.117 0.015 0.000 0.635 817 I CA 1.381 62.680 61.300 -0.002 0.000 0.204 817 I CB -1.359 36.644 38.000 0.004 0.000 0.319 817 I HN 0.302 nan 8.210 nan 0.000 0.151 818 G N 0.547 109.358 108.800 0.018 0.000 3.197 818 G HA2 0.408 4.366 3.960 -0.003 0.000 0.257 818 G HA3 0.408 4.366 3.960 -0.003 0.000 0.257 818 G C 0.513 175.443 174.900 0.051 0.000 0.835 818 G CA 0.568 45.683 45.100 0.026 0.000 2.001 818 G HN 0.910 nan 8.290 nan 0.000 0.625 819 S N -1.830 113.918 115.700 0.080 0.000 2.290 819 S HA 0.195 4.663 4.470 -0.003 0.000 0.266 819 S C 1.840 176.523 174.600 0.138 0.000 0.995 819 S CA 0.872 59.160 58.200 0.146 0.000 1.482 819 S CB -0.268 63.027 63.200 0.158 0.000 1.176 819 S HN 0.750 nan 8.310 nan 0.000 0.599 820 A N 1.112 123.984 122.820 0.086 0.000 2.272 820 A HA 0.057 4.375 4.320 -0.003 0.000 0.213 820 A C 1.888 179.508 177.584 0.061 0.000 1.183 820 A CA 1.905 53.982 52.037 0.065 0.000 0.719 820 A CB -0.527 18.494 19.000 0.036 0.000 0.771 820 A HN 0.551 nan 8.150 nan 0.000 0.484 821 E N -1.969 118.281 120.200 0.082 0.000 2.207 821 E HA 0.024 4.372 4.350 -0.003 0.000 0.197 821 E C 1.550 178.209 176.600 0.097 0.000 0.914 821 E CA 0.454 56.898 56.400 0.075 0.000 0.914 821 E CB -0.563 29.181 29.700 0.073 0.000 0.893 821 E HN 0.483 nan 8.360 nan 0.000 0.479 822 Y N 1.870 122.184 120.300 0.024 0.000 2.348 822 Y HA -0.188 4.360 4.550 -0.003 0.000 0.285 822 Y C 1.258 177.176 175.900 0.030 0.000 1.173 822 Y CA 2.160 60.275 58.100 0.025 0.000 1.263 822 Y CB 0.138 38.612 38.460 0.023 0.000 0.974 822 Y HN 0.151 nan 8.280 nan 0.000 0.547 823 E N -1.212 118.887 120.200 -0.167 0.000 2.413 823 E HA -0.024 4.324 4.350 -0.003 0.000 0.203 823 E C 1.829 178.369 176.600 -0.101 0.000 0.957 823 E CA 0.199 56.460 56.400 -0.232 0.000 0.950 823 E CB 0.100 29.737 29.700 -0.104 0.000 0.957 823 E HN 0.133 nan 8.360 nan 0.000 0.497 824 K N 1.603 121.983 120.400 -0.032 0.000 2.113 824 K HA -0.166 4.153 4.320 -0.003 0.000 0.208 824 K C 2.173 178.763 176.600 -0.018 0.000 1.047 824 K CA 1.981 58.265 56.287 -0.004 0.000 0.928 824 K CB -0.152 32.357 32.500 0.015 0.000 0.716 824 K HN 0.116 nan 8.250 nan 0.000 0.446 825 S N -0.155 115.526 115.700 -0.033 0.000 2.362 825 S HA -0.103 4.365 4.470 -0.003 0.000 0.221 825 S C 2.007 176.579 174.600 -0.046 0.000 1.032 825 S CA 0.944 59.129 58.200 -0.025 0.000 0.973 825 S CB -0.414 62.780 63.200 -0.009 0.000 0.849 825 S HN 0.360 nan 8.310 nan 0.000 0.465 826 K N 0.944 121.270 120.400 -0.124 0.000 2.144 826 K HA -0.146 4.173 4.320 -0.003 0.000 0.209 826 K C 1.840 178.414 176.600 -0.045 0.000 1.047 826 K CA 1.845 58.047 56.287 -0.141 0.000 0.927 826 K CB -0.448 31.870 32.500 -0.303 0.000 0.716 826 K HN 0.363 nan 8.250 nan 0.000 0.454 827 V N 1.496 121.388 119.914 -0.038 0.000 2.453 827 V HA -0.181 3.937 4.120 -0.003 0.000 0.247 827 V C 1.916 178.038 176.094 0.048 0.000 1.048 827 V CA 1.675 63.979 62.300 0.007 0.000 1.049 827 V CB -0.476 31.345 31.823 -0.004 0.000 0.672 827 V HN 0.394 nan 8.190 nan 0.000 0.457 828 N N 1.156 119.869 118.700 0.023 0.000 2.135 828 N HA -0.126 4.612 4.740 -0.003 0.000 0.186 828 N C 1.865 177.391 175.510 0.027 0.000 1.027 828 N CA 1.533 54.594 53.050 0.019 0.000 0.849 828 N CB -0.324 38.167 38.487 0.007 0.000 1.002 828 N HN 0.665 nan 8.380 nan 0.000 0.425 829 K N -0.469 119.951 120.400 0.034 0.000 2.211 829 K HA -0.140 4.178 4.320 -0.003 0.000 0.203 829 K C 1.861 178.490 176.600 0.050 0.000 1.050 829 K CA 0.912 57.218 56.287 0.033 0.000 0.945 829 K CB -0.366 32.154 32.500 0.034 0.000 0.732 829 K HN 0.183 nan 8.250 nan 0.000 0.451 830 Y N 1.729 121.999 120.300 -0.050 0.000 2.231 830 Y HA 0.107 4.656 4.550 -0.002 0.000 0.294 830 Y C 1.632 177.487 175.900 -0.074 0.000 1.120 830 Y CA 0.898 58.964 58.100 -0.057 0.000 1.141 830 Y CB 0.169 38.598 38.460 -0.051 0.000 1.022 830 Y HN -0.107 nan 8.280 nan 0.000 0.523 831 L N 0.720 121.969 121.223 0.042 0.000 2.650 831 L HA -0.042 4.297 4.340 -0.003 0.000 0.235 831 L C 1.727 178.540 176.870 -0.095 0.000 1.149 831 L CA 0.530 55.338 54.840 -0.055 0.000 0.887 831 L CB -0.246 41.819 42.059 0.010 0.000 1.021 831 L HN 0.108 nan 8.230 nan 0.000 0.441 832 K N 0.443 120.785 120.400 -0.097 0.000 2.128 832 K HA 0.014 4.333 4.320 -0.003 0.000 0.202 832 K C 0.903 177.432 176.600 -0.117 0.000 1.050 832 K CA 0.613 56.854 56.287 -0.076 0.000 0.966 832 K CB 0.017 32.493 32.500 -0.041 0.000 0.759 832 K HN 0.198 nan 8.250 nan 0.000 0.454 833 T N 1.020 115.465 114.554 -0.181 0.000 2.780 833 T HA 0.445 4.794 4.350 -0.003 0.000 0.294 833 T C 0.653 175.153 174.700 -0.334 0.000 0.949 833 T CA -0.794 61.186 62.100 -0.199 0.000 1.074 833 T CB 0.168 68.926 68.868 -0.183 0.000 0.910 833 T HN 0.229 nan 8.240 nan 0.000 0.501 834 I N 0.673 121.066 120.570 -0.294 0.000 2.707 834 I HA 0.551 4.719 4.170 -0.003 0.000 0.309 834 I C 0.097 176.007 176.117 -0.346 0.000 1.001 834 I CA -1.660 59.320 61.300 -0.534 0.000 1.129 834 I CB 1.851 39.591 38.000 -0.434 0.000 1.308 834 I HN 0.636 nan 8.210 nan 0.000 0.466 835 M N 5.265 124.593 119.600 -0.453 0.000 2.194 835 M HA 0.385 4.863 4.480 -0.003 0.000 0.347 835 M C -2.426 174.083 176.300 0.349 0.000 1.439 835 M CA -1.361 53.943 55.300 0.006 0.000 1.131 835 M CB 0.419 33.088 32.600 0.115 0.000 1.733 835 M HN 0.402 nan 8.290 nan 0.000 0.467 836 P HA 0.109 nan 4.420 nan 0.000 0.281 836 P C -1.001 176.477 177.300 0.298 0.000 1.252 836 P CA -0.322 62.953 63.100 0.291 0.000 0.778 836 P CB 0.253 32.061 31.700 0.181 0.000 0.895 837 F N 3.435 123.411 119.950 0.044 0.000 2.602 837 F HA 0.154 4.680 4.527 -0.001 0.000 0.367 837 F C 0.445 176.255 175.800 0.017 0.000 1.126 837 F CA 0.629 58.463 58.000 -0.277 0.000 1.321 837 F CB 0.238 38.904 39.000 -0.557 0.000 1.094 837 F HN 0.233 nan 8.300 nan 0.000 0.594 838 D N 6.553 126.323 120.400 -1.051 0.000 2.323 838 D HA 0.052 4.691 4.640 -0.003 0.000 0.242 838 D C 0.626 176.238 176.300 -1.147 0.000 1.347 838 D CA -0.418 53.111 54.000 -0.785 0.000 0.988 838 D CB 0.877 41.516 40.800 -0.269 0.000 1.314 838 D HN 0.626 nan 8.370 nan 0.000 0.564 839 L N 3.784 123.934 121.223 -1.789 0.000 2.089 839 L HA -0.212 4.126 4.340 -0.003 0.000 0.213 839 L C 2.128 178.758 176.870 -0.400 0.000 1.079 839 L CA 2.710 56.944 54.840 -1.010 0.000 0.758 839 L CB -0.633 40.705 42.059 -1.203 0.000 0.891 839 L HN 0.474 nan 8.230 nan 0.000 0.433 840 S N -1.437 114.040 115.700 -0.372 0.000 2.500 840 S HA -0.119 4.350 4.470 -0.003 0.000 0.239 840 S C 1.860 176.332 174.600 -0.214 0.000 0.989 840 S CA 0.958 59.050 58.200 -0.180 0.000 0.951 840 S CB -0.729 62.413 63.200 -0.097 0.000 0.759 840 S HN 0.437 nan 8.310 nan 0.000 0.523 841 I N 0.205 120.558 120.570 -0.360 0.000 2.716 841 I HA 0.054 4.222 4.170 -0.003 0.000 0.259 841 I C 1.057 176.774 176.117 -0.668 0.000 1.172 841 I CA 0.865 61.838 61.300 -0.545 0.000 1.478 841 I CB -1.112 36.430 38.000 -0.763 0.000 1.104 841 I HN 0.349 nan 8.210 nan 0.000 0.439 842 Y N 0.018 120.295 120.300 -0.037 0.000 2.485 842 Y HA 0.274 4.823 4.550 -0.002 0.000 0.260 842 Y C 0.947 176.863 175.900 0.026 0.000 1.173 842 Y CA -0.166 57.953 58.100 0.032 0.000 1.252 842 Y CB 0.384 38.904 38.460 0.101 0.000 1.123 842 Y HN -0.014 nan 8.280 nan 0.000 0.524 843 T N -0.008 114.580 114.554 0.056 0.000 2.907 843 T HA 0.237 4.585 4.350 -0.003 0.000 0.344 843 T C -0.998 173.707 174.700 0.009 0.000 1.675 843 T CA -0.712 61.422 62.100 0.056 0.000 1.076 843 T CB 0.419 69.357 68.868 0.118 0.000 1.483 843 T HN 0.275 nan 8.240 nan 0.000 0.487 844 N N 1.054 119.762 118.700 0.013 0.000 2.197 844 N HA 0.198 4.936 4.740 -0.003 0.000 0.228 844 N C -0.388 175.139 175.510 0.029 0.000 1.212 844 N CA -0.601 52.451 53.050 0.004 0.000 0.883 844 N CB 0.531 39.006 38.487 -0.020 0.000 1.107 844 N HN 0.589 nan 8.380 nan 0.000 0.519 845 D N 0.878 121.310 120.400 0.054 0.000 2.382 845 D HA 0.001 4.639 4.640 -0.003 0.000 0.259 845 D C 0.409 176.753 176.300 0.074 0.000 1.224 845 D CA 0.361 54.402 54.000 0.068 0.000 0.894 845 D CB 1.085 41.940 40.800 0.091 0.000 1.127 845 D HN 0.133 nan 8.370 nan 0.000 0.487 846 T N 4.858 119.450 114.554 0.064 0.000 2.665 846 T HA -0.173 4.175 4.350 -0.003 0.000 0.268 846 T C 1.959 176.713 174.700 0.090 0.000 1.035 846 T CA 0.675 62.816 62.100 0.068 0.000 1.151 846 T CB 0.106 69.008 68.868 0.057 0.000 0.862 846 T HN 0.517 nan 8.240 nan 0.000 0.438 847 I N 1.062 121.688 120.570 0.093 0.000 2.179 847 I HA -0.083 4.086 4.170 -0.003 0.000 0.242 847 I C 2.395 178.598 176.117 0.143 0.000 1.088 847 I CA 1.269 62.635 61.300 0.109 0.000 1.357 847 I CB -1.379 36.682 38.000 0.101 0.000 1.051 847 I HN 0.285 nan 8.210 nan 0.000 0.409 848 L N -0.055 121.259 121.223 0.152 0.000 2.141 848 L HA -0.177 4.161 4.340 -0.003 0.000 0.209 848 L C 2.512 179.518 176.870 0.227 0.000 1.094 848 L CA 0.799 55.766 54.840 0.212 0.000 0.763 848 L CB -0.318 41.862 42.059 0.203 0.000 0.908 848 L HN 0.166 nan 8.230 nan 0.000 0.437 849 I N -0.143 120.529 120.570 0.170 0.000 2.286 849 I HA -0.183 3.985 4.170 -0.003 0.000 0.245 849 I C 2.387 178.631 176.117 0.212 0.000 1.104 849 I CA 1.315 62.721 61.300 0.178 0.000 1.397 849 I CB -1.014 37.054 38.000 0.113 0.000 1.072 849 I HN 0.317 nan 8.210 nan 0.000 0.417 850 E N 0.496 120.794 120.200 0.164 0.000 2.110 850 E HA -0.204 4.145 4.350 -0.003 0.000 0.193 850 E C 2.307 179.011 176.600 0.173 0.000 0.988 850 E CA 1.169 57.656 56.400 0.144 0.000 0.804 850 E CB -0.148 29.619 29.700 0.112 0.000 0.745 850 E HN 0.428 nan 8.360 nan 0.000 0.458 851 M N -0.090 119.637 119.600 0.211 0.000 2.080 851 M HA -0.172 4.306 4.480 -0.003 0.000 0.260 851 M C 2.180 178.646 176.300 0.278 0.000 1.068 851 M CA 1.387 56.828 55.300 0.235 0.000 1.109 851 M CB -0.264 32.504 32.600 0.280 0.000 1.342 851 M HN 0.099 nan 8.290 nan 0.000 0.405 852 F N 1.510 121.538 119.950 0.130 0.000 2.146 852 F HA -0.193 4.332 4.527 -0.005 0.000 0.298 852 F C 2.137 178.016 175.800 0.130 0.000 1.096 852 F CA 1.529 59.589 58.000 0.101 0.000 1.275 852 F CB -0.402 38.633 39.000 0.058 0.000 1.008 852 F HN 0.167 nan 8.300 nan 0.000 0.480 853 N N 0.485 119.267 118.700 0.138 0.000 2.216 853 N HA -0.168 4.570 4.740 -0.003 0.000 0.183 853 N C 1.898 177.416 175.510 0.014 0.000 1.017 853 N CA 1.082 54.145 53.050 0.023 0.000 0.861 853 N CB -0.513 38.021 38.487 0.078 0.000 0.986 853 N HN 0.345 nan 8.380 nan 0.000 0.428 854 K N 0.083 120.526 120.400 0.072 0.000 2.057 854 K HA -0.179 4.139 4.320 -0.003 0.000 0.207 854 K C 2.051 178.683 176.600 0.053 0.000 1.049 854 K CA 0.973 57.298 56.287 0.063 0.000 0.931 854 K CB -0.186 32.371 32.500 0.094 0.000 0.714 854 K HN 0.137 nan 8.250 nan 0.000 0.440 855 Y N 1.639 121.903 120.300 -0.060 0.000 2.145 855 Y HA -0.169 4.377 4.550 -0.006 0.000 0.286 855 Y C 1.661 177.482 175.900 -0.132 0.000 1.145 855 Y CA 1.784 59.833 58.100 -0.086 0.000 1.148 855 Y CB -0.089 38.312 38.460 -0.099 0.000 0.981 855 Y HN 0.173 nan 8.280 nan 0.000 0.507 856 N N -0.216 118.446 118.700 -0.065 0.000 2.550 856 N HA -0.094 4.644 4.740 -0.003 0.000 0.186 856 N C 1.541 176.985 175.510 -0.110 0.000 1.110 856 N CA 1.165 54.133 53.050 -0.136 0.000 0.912 856 N CB -0.257 38.086 38.487 -0.239 0.000 0.968 856 N HN 0.499 nan 8.380 nan 0.000 0.448 857 S N -0.765 114.880 115.700 -0.091 0.000 2.535 857 S HA 0.147 4.615 4.470 -0.003 0.000 0.214 857 S C 0.454 175.010 174.600 -0.075 0.000 0.980 857 S CA -0.273 57.889 58.200 -0.063 0.000 0.907 857 S CB 0.168 63.346 63.200 -0.036 0.000 0.790 857 S HN 0.120 nan 8.310 nan 0.000 0.510 858 E N 1.180 121.307 120.200 -0.121 0.000 2.001 858 E HA 0.277 4.626 4.350 -0.003 0.000 0.279 858 E C 0.378 176.909 176.600 -0.115 0.000 1.045 858 E CA -0.364 55.962 56.400 -0.123 0.000 0.833 858 E CB 0.948 30.547 29.700 -0.168 0.000 1.077 858 E HN 0.161 nan 8.360 nan 0.000 0.397 859 I N 4.031 124.569 120.570 -0.054 0.000 2.236 859 I HA -0.332 3.836 4.170 -0.003 0.000 0.249 859 I C 1.564 177.728 176.117 0.078 0.000 1.102 859 I CA 1.597 62.898 61.300 0.002 0.000 1.365 859 I CB 0.014 38.005 38.000 -0.016 0.000 1.051 859 I HN 0.629 nan 8.210 nan 0.000 0.420 860 L N 0.150 121.394 121.223 0.034 0.000 2.353 860 L HA -0.175 4.163 4.340 -0.003 0.000 0.220 860 L C 1.559 178.396 176.870 -0.055 0.000 1.133 860 L CA 0.771 55.636 54.840 0.042 0.000 0.798 860 L CB -0.904 41.156 42.059 0.001 0.000 0.922 860 L HN 0.329 nan 8.230 nan 0.000 0.445 861 N N 0.018 118.625 118.700 -0.154 0.000 2.461 861 N HA -0.047 4.691 4.740 -0.003 0.000 0.188 861 N C 0.942 176.417 175.510 -0.058 0.000 1.134 861 N CA 0.399 53.305 53.050 -0.241 0.000 0.878 861 N CB 0.005 38.040 38.487 -0.753 0.000 0.972 861 N HN 0.391 nan 8.380 nan 0.000 0.456 862 N N 0.520 119.227 118.700 0.012 0.000 2.336 862 N HA 0.135 4.873 4.740 -0.003 0.000 0.189 862 N C 0.084 175.593 175.510 -0.003 0.000 1.113 862 N CA -0.003 53.093 53.050 0.077 0.000 0.858 862 N CB 1.087 39.675 38.487 0.169 0.000 0.970 862 N HN 0.237 nan 8.380 nan 0.000 0.471 863 I N 2.419 122.897 120.570 -0.153 0.000 2.436 863 I HA 0.046 4.214 4.170 -0.003 0.000 0.289 863 I C 1.520 177.564 176.117 -0.122 0.000 1.083 863 I CA 0.031 61.079 61.300 -0.421 0.000 1.372 863 I CB 0.564 38.276 38.000 -0.480 0.000 1.408 863 I HN 0.025 nan 8.210 nan 0.000 0.516 864 I N 4.928 125.384 120.570 -0.190 0.000 3.976 864 I HA 0.408 4.577 4.170 -0.003 0.000 0.337 864 I C -0.421 175.670 176.117 -0.042 0.000 1.359 864 I CA 0.008 61.206 61.300 -0.171 0.000 1.098 864 I CB 0.600 38.309 38.000 -0.485 0.000 1.027 864 I HN 0.408 nan 8.210 nan 0.000 0.394 865 L N 1.499 122.712 121.223 -0.017 0.000 2.735 865 L HA 0.531 4.869 4.340 -0.003 0.000 0.258 865 L C -2.108 174.803 176.870 0.067 0.000 0.920 865 L CA -0.246 54.650 54.840 0.093 0.000 0.958 865 L CB 1.883 44.070 42.059 0.213 0.000 1.499 865 L HN 0.150 nan 8.230 nan 0.000 0.441 866 N N 4.849 123.616 118.700 0.112 0.000 2.701 866 N HA 0.383 5.121 4.740 -0.003 0.000 0.258 866 N C -1.743 173.876 175.510 0.181 0.000 1.262 866 N CA -0.304 52.815 53.050 0.114 0.000 0.780 866 N CB 1.042 39.537 38.487 0.012 0.000 1.380 866 N HN 0.643 nan 8.380 nan 0.000 0.548 867 L N 3.239 124.638 121.223 0.294 0.000 2.369 867 L HA 0.402 4.741 4.340 -0.003 0.000 0.279 867 L C 0.624 177.666 176.870 0.287 0.000 1.108 867 L CA -0.204 54.788 54.840 0.254 0.000 0.852 867 L CB 0.215 42.429 42.059 0.258 0.000 1.169 867 L HN 0.137 nan 8.230 nan 0.000 0.452 868 R N 2.406 123.032 120.500 0.210 0.000 2.854 868 R HA 0.347 4.685 4.340 -0.003 0.000 0.271 868 R C -1.066 175.368 176.300 0.222 0.000 0.994 868 R CA -1.054 55.199 56.100 0.256 0.000 0.945 868 R CB 1.781 32.201 30.300 0.200 0.000 1.194 868 R HN 0.384 nan 8.270 nan 0.000 0.476 869 Y N 1.476 121.857 120.300 0.135 0.000 2.319 869 Y HA 0.308 4.859 4.550 0.000 0.000 0.328 869 Y C -0.600 175.339 175.900 0.064 0.000 1.133 869 Y CA 0.233 58.389 58.100 0.092 0.000 1.265 869 Y CB 0.800 39.322 38.460 0.104 0.000 1.218 869 Y HN 0.129 nan 8.280 nan 0.000 0.508 870 K N 5.752 125.878 120.400 -0.457 0.000 2.616 870 K HA 0.123 4.441 4.320 -0.003 0.000 0.255 870 K C -1.536 174.783 176.600 -0.469 0.000 0.995 870 K CA -0.583 55.518 56.287 -0.311 0.000 0.860 870 K CB 1.296 33.727 32.500 -0.115 0.000 1.264 870 K HN 0.929 nan 8.250 nan 0.000 0.451 871 D N 2.412 122.580 120.400 -0.386 0.000 2.927 871 D HA -0.210 4.428 4.640 -0.003 0.000 0.236 871 D C 0.006 176.095 176.300 -0.352 0.000 1.163 871 D CA 0.465 54.316 54.000 -0.248 0.000 0.801 871 D CB -0.531 40.188 40.800 -0.135 0.000 0.975 871 D HN 0.779 nan 8.370 nan 0.000 0.413 872 N N 0.988 119.370 118.700 -0.530 0.000 2.699 872 N HA -0.264 4.474 4.740 -0.003 0.000 0.256 872 N C -0.798 174.539 175.510 -0.289 0.000 0.993 872 N CA 1.677 54.556 53.050 -0.285 0.000 0.759 872 N CB -0.860 37.627 38.487 -0.001 0.000 0.906 872 N HN 0.801 nan 8.380 nan 0.000 0.541 873 N N -0.463 117.942 118.700 -0.491 0.000 3.265 873 N HA 0.281 5.020 4.740 -0.003 0.000 0.235 873 N C -1.436 173.939 175.510 -0.225 0.000 1.343 873 N CA -0.624 52.271 53.050 -0.257 0.000 0.904 873 N CB 0.891 39.257 38.487 -0.203 0.000 1.492 873 N HN 0.020 nan 8.380 nan 0.000 0.504 874 L N 3.488 124.630 121.223 -0.135 0.000 2.282 874 L HA 0.617 4.955 4.340 -0.003 0.000 0.288 874 L C -0.264 176.555 176.870 -0.083 0.000 1.033 874 L CA -0.632 54.159 54.840 -0.082 0.000 0.807 874 L CB 0.932 42.908 42.059 -0.139 0.000 1.209 874 L HN 0.457 nan 8.230 nan 0.000 0.423 875 I N -1.244 119.304 120.570 -0.036 0.000 2.828 875 I HA 0.519 4.687 4.170 -0.003 0.000 0.302 875 I C -1.010 175.116 176.117 0.015 0.000 1.101 875 I CA -0.963 60.319 61.300 -0.029 0.000 1.031 875 I CB 2.314 40.286 38.000 -0.046 0.000 1.231 875 I HN 0.356 nan 8.210 nan 0.000 0.427 876 D N 4.223 124.635 120.400 0.020 0.000 2.317 876 D HA 0.335 4.973 4.640 -0.003 0.000 0.252 876 D C -0.004 176.306 176.300 0.017 0.000 1.174 876 D CA -0.076 53.953 54.000 0.049 0.000 0.866 876 D CB 1.143 41.983 40.800 0.066 0.000 1.127 876 D HN 0.646 nan 8.370 nan 0.000 0.467 877 L N 3.139 124.372 121.223 0.016 0.000 2.910 877 L HA 0.085 4.424 4.340 -0.003 0.000 0.252 877 L C 1.843 178.683 176.870 -0.051 0.000 1.195 877 L CA -0.102 54.720 54.840 -0.030 0.000 1.003 877 L CB -0.020 42.023 42.059 -0.026 0.000 1.328 877 L HN 0.425 nan 8.230 nan 0.000 0.540 878 S N -0.690 115.001 115.700 -0.015 0.000 2.447 878 S HA -0.025 4.443 4.470 -0.003 0.000 0.233 878 S C 1.692 176.221 174.600 -0.118 0.000 1.006 878 S CA 0.950 59.142 58.200 -0.013 0.000 0.957 878 S CB 0.113 63.383 63.200 0.117 0.000 0.773 878 S HN 0.559 nan 8.310 nan 0.000 0.507 879 G N -0.180 108.533 108.800 -0.144 0.000 2.195 879 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.224 879 G HA3 -0.266 3.693 3.960 -0.003 0.000 0.224 879 G C 0.370 175.066 174.900 -0.339 0.000 0.990 879 G CA 0.221 45.159 45.100 -0.270 0.000 0.639 879 G HN 0.582 nan 8.290 nan 0.000 0.514 880 Y N 0.969 121.229 120.300 -0.067 0.000 2.466 880 Y HA 0.382 4.933 4.550 0.003 0.000 0.272 880 Y C 2.113 177.983 175.900 -0.050 0.000 1.169 880 Y CA 0.740 58.803 58.100 -0.062 0.000 1.285 880 Y CB 0.505 38.934 38.460 -0.053 0.000 1.078 880 Y HN 0.893 nan 8.280 nan 0.000 0.523 881 G N 0.961 109.790 108.800 0.049 0.000 2.273 881 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.280 881 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.280 881 G C 0.306 175.232 174.900 0.043 0.000 1.047 881 G CA 0.019 45.133 45.100 0.023 0.000 0.869 881 G HN 0.625 nan 8.290 nan 0.000 0.502 882 A N -0.099 122.762 122.820 0.069 0.000 2.511 882 A HA 0.519 4.838 4.320 -0.003 0.000 0.242 882 A C 0.823 178.430 177.584 0.038 0.000 1.069 882 A CA 0.235 52.312 52.037 0.068 0.000 0.763 882 A CB 0.435 19.496 19.000 0.101 0.000 1.001 882 A HN 0.312 nan 8.150 nan 0.000 0.498 883 K N 1.831 122.248 120.400 0.030 0.000 2.297 883 K HA 0.374 4.693 4.320 -0.003 0.000 0.286 883 K C -0.837 175.763 176.600 -0.001 0.000 1.053 883 K CA -0.187 56.103 56.287 0.004 0.000 0.940 883 K CB 1.181 33.682 32.500 0.001 0.000 1.019 883 K HN 0.330 nan 8.250 nan 0.000 0.475 884 V N 3.423 123.316 119.914 -0.034 0.000 2.350 884 V HA 0.152 4.270 4.120 -0.003 0.000 0.285 884 V C 0.050 176.068 176.094 -0.126 0.000 1.014 884 V CA -0.798 61.463 62.300 -0.064 0.000 0.831 884 V CB 1.438 33.215 31.823 -0.077 0.000 1.000 884 V HN 0.521 nan 8.190 nan 0.000 0.433 885 E N 3.646 123.757 120.200 -0.150 0.000 2.081 885 E HA 0.380 4.728 4.350 -0.003 0.000 0.276 885 E C -0.950 175.398 176.600 -0.420 0.000 0.950 885 E CA -0.260 55.957 56.400 -0.305 0.000 0.776 885 E CB 1.957 31.476 29.700 -0.302 0.000 1.094 885 E HN 0.437 nan 8.360 nan 0.000 0.402 886 V N 5.908 125.565 119.914 -0.428 0.000 2.311 886 V HA 0.217 4.335 4.120 -0.003 0.000 0.275 886 V C -0.211 175.647 176.094 -0.394 0.000 1.022 886 V CA -0.712 61.380 62.300 -0.346 0.000 0.830 886 V CB -0.184 31.494 31.823 -0.242 0.000 1.012 886 V HN 0.497 nan 8.190 nan 0.000 0.452 887 Y N 1.840 122.095 120.300 -0.075 0.000 2.330 887 Y HA 0.057 4.607 4.550 0.000 0.000 0.341 887 Y C 1.610 177.481 175.900 -0.048 0.000 1.278 887 Y CA 0.082 58.150 58.100 -0.052 0.000 1.453 887 Y CB 0.400 38.835 38.460 -0.042 0.000 1.342 887 Y HN 0.623 nan 8.280 nan 0.000 0.590 888 D N 0.947 121.422 120.400 0.124 0.000 2.190 888 D HA -0.149 4.489 4.640 -0.003 0.000 0.200 888 D C 1.983 178.306 176.300 0.038 0.000 0.992 888 D CA 1.746 55.780 54.000 0.056 0.000 0.854 888 D CB -0.170 40.662 40.800 0.053 0.000 0.936 888 D HN 0.817 nan 8.370 nan 0.000 0.462 889 G N -0.731 108.099 108.800 0.050 0.000 3.026 889 G HA2 0.105 4.063 3.960 -0.003 0.000 0.208 889 G HA3 0.105 4.063 3.960 -0.003 0.000 0.208 889 G C 0.113 175.012 174.900 -0.002 0.000 1.169 889 G CA -0.114 44.995 45.100 0.016 0.000 0.788 889 G HN 0.102 nan 8.290 nan 0.000 0.533 890 V N 0.421 120.338 119.914 0.004 0.000 2.394 890 V HA 0.304 4.423 4.120 -0.003 0.000 0.282 890 V C -0.109 175.978 176.094 -0.012 0.000 1.031 890 V CA -1.026 61.265 62.300 -0.015 0.000 0.881 890 V CB 1.865 33.666 31.823 -0.036 0.000 0.982 890 V HN 0.302 nan 8.190 nan 0.000 0.451 891 E N 4.524 124.699 120.200 -0.041 0.000 2.197 891 E HA 0.593 4.941 4.350 -0.003 0.000 0.281 891 E C -1.467 175.202 176.600 0.115 0.000 0.995 891 E CA -0.498 55.902 56.400 -0.001 0.000 0.808 891 E CB 1.135 30.783 29.700 -0.087 0.000 1.093 891 E HN 0.575 nan 8.360 nan 0.000 0.394 892 L N 4.448 125.782 121.223 0.184 0.000 2.385 892 L HA 0.436 4.774 4.340 -0.003 0.000 0.273 892 L C -0.689 176.336 176.870 0.257 0.000 0.990 892 L CA -1.074 53.938 54.840 0.286 0.000 0.821 892 L CB 1.711 43.960 42.059 0.317 0.000 1.279 892 L HN 0.592 nan 8.230 nan 0.000 0.412 893 N N -0.631 118.167 118.700 0.163 0.000 2.328 893 N HA 0.262 5.000 4.740 -0.003 0.000 0.299 893 N C -0.218 174.961 175.510 -0.552 0.000 1.179 893 N CA -0.948 52.066 53.050 -0.061 0.000 0.793 893 N CB 1.006 39.498 38.487 0.008 0.000 1.366 893 N HN 0.504 nan 8.380 nan 0.000 0.493 894 D N -0.691 119.279 120.400 -0.718 0.000 2.348 894 D HA -0.057 4.581 4.640 -0.003 0.000 0.248 894 D C -0.093 175.905 176.300 -0.503 0.000 1.142 894 D CA 0.480 53.850 54.000 -1.050 0.000 0.904 894 D CB -0.157 40.349 40.800 -0.490 0.000 0.901 894 D HN 0.629 nan 8.370 nan 0.000 0.523 895 K N 0.090 120.270 120.400 -0.366 0.000 2.440 895 K HA 0.128 4.446 4.320 -0.003 0.000 0.206 895 K C 0.039 176.475 176.600 -0.273 0.000 1.025 895 K CA -0.418 55.713 56.287 -0.260 0.000 1.135 895 K CB 0.122 32.473 32.500 -0.249 0.000 0.856 895 K HN -0.076 nan 8.250 nan 0.000 0.502 896 N N 2.210 120.780 118.700 -0.216 0.000 2.741 896 N HA -0.188 4.551 4.740 -0.003 0.000 0.250 896 N C -1.022 174.476 175.510 -0.019 0.000 1.115 896 N CA 1.037 54.048 53.050 -0.065 0.000 0.724 896 N CB -0.670 37.741 38.487 -0.127 0.000 1.090 896 N HN 0.475 nan 8.380 nan 0.000 0.558 897 Q N 0.136 119.976 119.800 0.067 0.000 2.256 897 Q HA 0.553 4.892 4.340 -0.003 0.000 0.257 897 Q C -0.216 176.123 176.000 0.564 0.000 0.936 897 Q CA -0.503 55.488 55.803 0.312 0.000 0.903 897 Q CB 0.942 29.886 28.738 0.344 0.000 1.263 897 Q HN 0.312 nan 8.270 nan 0.000 0.440 898 F N -0.787 119.463 119.950 0.500 0.000 2.556 898 F HA 0.612 5.137 4.527 -0.003 0.000 0.314 898 F C -1.072 174.740 175.800 0.019 0.000 1.106 898 F CA -1.272 56.866 58.000 0.229 0.000 0.911 898 F CB 1.341 40.413 39.000 0.120 0.000 1.190 898 F HN 0.230 nan 8.300 nan 0.000 0.448 899 K N 4.942 125.229 120.400 -0.189 0.000 2.235 899 K HA 0.623 4.941 4.320 -0.003 0.000 0.266 899 K C -1.641 174.842 176.600 -0.195 0.000 0.980 899 K CA -0.633 55.248 56.287 -0.677 0.000 0.849 899 K CB 1.201 32.771 32.500 -1.550 0.000 1.098 899 K HN 0.929 nan 8.250 nan 0.000 0.445 900 L N 4.641 125.826 121.223 -0.063 0.000 2.280 900 L HA 0.323 4.661 4.340 -0.003 0.000 0.287 900 L C 0.636 177.516 176.870 0.016 0.000 1.023 900 L CA -0.655 54.214 54.840 0.048 0.000 0.819 900 L CB 1.468 43.627 42.059 0.167 0.000 1.212 900 L HN 0.830 nan 8.230 nan 0.000 0.420 901 T N -1.850 112.700 114.554 -0.007 0.000 2.876 901 T HA 0.218 4.566 4.350 -0.003 0.000 0.277 901 T C 1.155 175.855 174.700 0.001 0.000 0.997 901 T CA 0.015 62.120 62.100 0.010 0.000 0.966 901 T CB 1.406 70.255 68.868 -0.032 0.000 1.312 901 T HN 0.528 nan 8.240 nan 0.000 0.598 902 S N -0.474 115.222 115.700 -0.006 0.000 2.527 902 S HA 0.132 4.600 4.470 -0.003 0.000 0.222 902 S C 0.880 175.463 174.600 -0.028 0.000 0.985 902 S CA -0.412 57.770 58.200 -0.031 0.000 0.921 902 S CB -0.616 62.565 63.200 -0.032 0.000 0.772 902 S HN 0.626 nan 8.310 nan 0.000 0.529 903 S N 1.745 117.432 115.700 -0.022 0.000 2.562 903 S HA 0.538 5.006 4.470 -0.003 0.000 0.281 903 S C 1.497 176.079 174.600 -0.030 0.000 1.333 903 S CA -0.032 58.154 58.200 -0.024 0.000 1.052 903 S CB 1.040 64.228 63.200 -0.020 0.000 0.884 903 S HN 0.580 nan 8.310 nan 0.000 0.506 904 A N 2.866 125.662 122.820 -0.039 0.000 1.972 904 A HA -0.155 4.163 4.320 -0.003 0.000 0.219 904 A C 1.743 179.281 177.584 -0.077 0.000 1.169 904 A CA 1.608 53.610 52.037 -0.059 0.000 0.635 904 A CB -0.644 18.317 19.000 -0.065 0.000 0.810 904 A HN 0.872 nan 8.150 nan 0.000 0.446 905 N N -0.399 118.269 118.700 -0.053 0.000 2.434 905 N HA 0.029 4.767 4.740 -0.003 0.000 0.196 905 N C 0.180 175.704 175.510 0.024 0.000 1.183 905 N CA 0.816 53.843 53.050 -0.038 0.000 0.849 905 N CB -0.413 38.076 38.487 0.002 0.000 0.992 905 N HN 0.136 nan 8.380 nan 0.000 0.460 906 S N 0.308 116.012 115.700 0.006 0.000 3.170 906 S HA 0.304 4.773 4.470 -0.003 0.000 0.257 906 S C -0.623 174.006 174.600 0.048 0.000 1.284 906 S CA -0.793 57.424 58.200 0.027 0.000 0.973 906 S CB -0.548 62.656 63.200 0.005 0.000 1.330 906 S HN 0.524 nan 8.310 nan 0.000 0.493 907 K N 2.045 122.502 120.400 0.096 0.000 2.579 907 K HA 0.609 4.928 4.320 -0.003 0.000 0.284 907 K C -1.623 175.102 176.600 0.208 0.000 0.990 907 K CA -1.041 55.322 56.287 0.127 0.000 0.880 907 K CB 1.009 33.542 32.500 0.056 0.000 1.488 907 K HN 0.294 nan 8.250 nan 0.000 0.425 908 I N 1.028 121.695 120.570 0.162 0.000 2.499 908 I HA 0.403 4.571 4.170 -0.003 0.000 0.288 908 I C -0.718 175.515 176.117 0.193 0.000 1.048 908 I CA -0.823 60.512 61.300 0.058 0.000 1.062 908 I CB 2.151 39.953 38.000 -0.330 0.000 1.238 908 I HN 0.544 nan 8.210 nan 0.000 0.426 909 R N 5.825 126.430 120.500 0.176 0.000 2.294 909 R HA 0.716 5.054 4.340 -0.003 0.000 0.319 909 R C -1.698 174.663 176.300 0.103 0.000 0.984 909 R CA -0.424 55.779 56.100 0.170 0.000 0.861 909 R CB 1.511 31.945 30.300 0.224 0.000 1.104 909 R HN 0.481 nan 8.270 nan 0.000 0.451 910 V N 3.955 123.949 119.914 0.133 0.000 2.444 910 V HA 0.268 4.386 4.120 -0.003 0.000 0.294 910 V C -0.336 175.821 176.094 0.105 0.000 1.022 910 V CA -0.663 61.712 62.300 0.126 0.000 0.850 910 V CB 2.044 33.999 31.823 0.220 0.000 0.992 910 V HN 0.797 nan 8.190 nan 0.000 0.426 911 T N 5.589 120.190 114.554 0.079 0.000 2.832 911 T HA 0.314 4.662 4.350 -0.003 0.000 0.313 911 T C 0.136 174.885 174.700 0.082 0.000 1.035 911 T CA -0.304 61.837 62.100 0.067 0.000 0.950 911 T CB 0.356 69.250 68.868 0.043 0.000 0.984 911 T HN 0.663 nan 8.240 nan 0.000 0.486 912 Q N 2.311 122.174 119.800 0.105 0.000 2.524 912 Q HA 0.103 4.441 4.340 -0.003 0.000 0.246 912 Q C 0.585 176.631 176.000 0.077 0.000 1.063 912 Q CA -0.381 55.490 55.803 0.113 0.000 0.945 912 Q CB 0.514 29.350 28.738 0.163 0.000 1.292 912 Q HN 0.463 nan 8.270 nan 0.000 0.518 913 N N 1.253 119.986 118.700 0.055 0.000 2.442 913 N HA -0.055 4.683 4.740 -0.003 0.000 0.265 913 N C 0.257 175.788 175.510 0.036 0.000 1.138 913 N CA 0.141 53.214 53.050 0.039 0.000 0.956 913 N CB 0.916 39.424 38.487 0.035 0.000 1.067 913 N HN 0.445 nan 8.380 nan 0.000 0.474 914 Q N 1.890 121.717 119.800 0.045 0.000 2.435 914 Q HA 0.052 4.390 4.340 -0.003 0.000 0.207 914 Q C -0.114 175.920 176.000 0.056 0.000 0.956 914 Q CA 0.729 56.565 55.803 0.055 0.000 0.917 914 Q CB 0.079 28.844 28.738 0.044 0.000 0.997 914 Q HN 0.571 nan 8.270 nan 0.000 0.497 915 N N 0.468 119.191 118.700 0.039 0.000 2.327 915 N HA 0.187 4.925 4.740 -0.003 0.000 0.231 915 N C -0.232 175.301 175.510 0.038 0.000 1.130 915 N CA 0.102 53.179 53.050 0.045 0.000 0.845 915 N CB 0.860 39.365 38.487 0.029 0.000 1.073 915 N HN 0.222 nan 8.380 nan 0.000 0.496 916 I N 1.156 121.725 120.570 -0.002 0.000 2.378 916 I HA 0.303 4.472 4.170 -0.003 0.000 0.291 916 I C 0.572 176.711 176.117 0.036 0.000 0.992 916 I CA -0.781 60.472 61.300 -0.080 0.000 1.154 916 I CB 1.901 39.688 38.000 -0.356 0.000 1.315 916 I HN -0.175 nan 8.210 nan 0.000 0.448 917 I N 6.705 127.325 120.570 0.084 0.000 2.886 917 I HA -0.126 4.042 4.170 -0.003 0.000 0.293 917 I C 0.732 176.941 176.117 0.153 0.000 1.157 917 I CA 1.040 62.427 61.300 0.145 0.000 1.472 917 I CB -0.241 37.861 38.000 0.170 0.000 1.492 917 I HN 0.731 nan 8.210 nan 0.000 0.652 918 F N 5.395 125.326 119.950 -0.032 0.000 2.514 918 F HA 0.069 4.595 4.527 -0.001 0.000 0.281 918 F C 1.322 177.062 175.800 -0.100 0.000 1.060 918 F CA -0.494 57.456 58.000 -0.083 0.000 1.397 918 F CB 0.517 39.455 39.000 -0.104 0.000 1.129 918 F HN 0.468 nan 8.300 nan 0.000 0.620 919 N N 2.107 120.848 118.700 0.069 0.000 2.819 919 N HA -0.057 4.681 4.740 -0.003 0.000 0.284 919 N C 0.697 176.206 175.510 -0.002 0.000 1.196 919 N CA 0.623 53.639 53.050 -0.057 0.000 1.114 919 N CB 0.357 38.814 38.487 -0.050 0.000 1.437 919 N HN 0.205 nan 8.380 nan 0.000 0.518 920 S N -0.511 115.178 115.700 -0.018 0.000 2.603 920 S HA -0.040 4.428 4.470 -0.003 0.000 0.229 920 S C 0.986 175.640 174.600 0.091 0.000 0.972 920 S CA 0.087 58.307 58.200 0.032 0.000 0.935 920 S CB -0.344 62.844 63.200 -0.020 0.000 0.769 920 S HN 0.341 nan 8.310 nan 0.000 0.536 921 V N -0.685 119.251 119.914 0.036 0.000 3.664 921 V HA -0.241 3.877 4.120 -0.003 0.000 0.211 921 V C 0.364 176.584 176.094 0.211 0.000 0.457 921 V CA 1.579 63.937 62.300 0.096 0.000 1.039 921 V CB -3.090 28.799 31.823 0.110 0.000 1.142 921 V HN 0.924 nan 8.190 nan 0.000 1.237 922 F N -2.572 117.398 119.950 0.033 0.000 3.106 922 F HA 0.716 5.242 4.527 -0.002 0.000 0.390 922 F C -0.354 175.490 175.800 0.073 0.000 1.093 922 F CA -0.031 57.996 58.000 0.045 0.000 0.996 922 F CB 0.734 39.761 39.000 0.045 0.000 1.408 922 F HN 0.519 nan 8.300 nan 0.000 0.528 923 L N 2.755 123.704 121.223 -0.457 0.000 2.239 923 L HA 0.003 4.341 4.340 -0.003 0.000 0.598 923 L C -1.622 174.972 176.870 -0.459 0.000 1.000 923 L CA 0.523 55.190 54.840 -0.289 0.000 1.288 923 L CB -0.956 41.116 42.059 0.022 0.000 1.989 923 L HN 0.710 nan 8.230 nan 0.000 0.990 924 D N 5.637 125.868 120.400 -0.281 0.000 2.381 924 D HA 0.610 5.248 4.640 -0.003 0.000 0.245 924 D C -0.827 175.636 176.300 0.271 0.000 1.297 924 D CA 0.355 54.276 54.000 -0.132 0.000 0.931 924 D CB 0.316 40.842 40.800 -0.455 0.000 1.334 924 D HN 0.498 nan 8.370 nan 0.000 0.535 925 F N -0.475 119.478 119.950 0.005 0.000 2.713 925 F HA 0.793 5.317 4.527 -0.004 0.000 0.311 925 F C -1.332 174.442 175.800 -0.043 0.000 1.141 925 F CA -0.895 57.144 58.000 0.065 0.000 0.939 925 F CB 1.263 40.436 39.000 0.289 0.000 1.325 925 F HN -0.018 nan 8.300 nan 0.000 0.453 926 S N 0.805 116.392 115.700 -0.188 0.000 2.634 926 S HA 0.862 5.330 4.470 -0.003 0.000 0.296 926 S C -1.381 173.047 174.600 -0.287 0.000 1.104 926 S CA -0.796 57.160 58.200 -0.407 0.000 0.920 926 S CB 2.251 65.240 63.200 -0.352 0.000 1.111 926 S HN 0.615 nan 8.310 nan 0.000 0.493 927 V N 2.185 121.844 119.914 -0.424 0.000 2.623 927 V HA 0.727 4.846 4.120 -0.003 0.000 0.304 927 V C -0.633 175.307 176.094 -0.258 0.000 1.054 927 V CA -0.665 61.459 62.300 -0.294 0.000 0.882 927 V CB 1.782 33.392 31.823 -0.355 0.000 1.002 927 V HN 0.987 nan 8.190 nan 0.000 0.424 928 S N 4.386 120.012 115.700 -0.123 0.000 2.548 928 S HA 1.005 5.473 4.470 -0.003 0.000 0.286 928 S C -1.012 173.678 174.600 0.151 0.000 1.098 928 S CA -0.661 57.447 58.200 -0.153 0.000 0.930 928 S CB 2.418 65.653 63.200 0.059 0.000 1.070 928 S HN 1.450 nan 8.310 nan 0.000 0.480 929 F N -2.278 117.737 119.950 0.108 0.000 2.769 929 F HA 0.750 5.274 4.527 -0.004 0.000 0.313 929 F C -2.435 173.612 175.800 0.410 0.000 1.146 929 F CA -1.740 56.512 58.000 0.419 0.000 0.934 929 F CB 0.073 39.377 39.000 0.506 0.000 1.283 929 F HN 0.638 nan 8.300 nan 0.000 0.443 930 W N 3.338 125.048 121.300 0.684 0.000 2.512 930 W HA 0.813 5.471 4.660 -0.003 0.000 0.335 930 W C -0.639 176.337 176.519 0.762 0.000 1.088 930 W CA -0.827 56.872 57.345 0.590 0.000 1.236 930 W CB 1.686 31.358 29.460 0.352 0.000 1.307 930 W HN 0.720 nan 8.180 nan 0.000 0.567 931 I N 1.917 122.943 120.570 0.760 0.000 2.827 931 I HA 0.470 4.638 4.170 -0.003 0.000 0.298 931 I C -1.199 174.883 176.117 -0.058 0.000 1.235 931 I CA -1.392 60.163 61.300 0.425 0.000 1.021 931 I CB 2.117 40.323 38.000 0.342 0.000 1.259 931 I HN 0.435 nan 8.210 nan 0.000 0.427 932 R N 7.140 127.439 120.500 -0.334 0.000 2.473 932 R HA 0.602 4.940 4.340 -0.003 0.000 0.303 932 R C -1.750 174.493 176.300 -0.095 0.000 1.002 932 R CA -0.456 55.382 56.100 -0.437 0.000 0.884 932 R CB 1.223 30.847 30.300 -1.126 0.000 1.173 932 R HN 0.533 nan 8.270 nan 0.000 0.464 933 I N 7.171 127.758 120.570 0.028 0.000 2.328 933 I HA 0.343 4.511 4.170 -0.003 0.000 0.287 933 I C -1.796 174.348 176.117 0.045 0.000 1.012 933 I CA -2.380 58.980 61.300 0.100 0.000 1.195 933 I CB 1.599 39.771 38.000 0.286 0.000 1.350 933 I HN 0.412 nan 8.210 nan 0.000 0.464 934 P HA -0.054 nan 4.420 nan 0.000 0.267 934 P C -0.519 176.717 177.300 -0.107 0.000 1.201 934 P CA -0.176 62.780 63.100 -0.240 0.000 0.775 934 P CB 0.953 32.246 31.700 -0.678 0.000 0.854 935 K N 2.080 122.348 120.400 -0.221 0.000 2.276 935 K HA 0.036 4.354 4.320 -0.003 0.000 0.259 935 K C 0.054 176.322 176.600 -0.554 0.000 1.001 935 K CA -0.358 55.631 56.287 -0.498 0.000 0.927 935 K CB 0.014 31.917 32.500 -0.995 0.000 0.969 935 K HN 0.390 nan 8.250 nan 0.000 0.490 936 Y N 0.686 120.693 120.300 -0.488 0.000 2.379 936 Y HA 0.231 4.779 4.550 -0.003 0.000 0.337 936 Y C -0.147 175.495 175.900 -0.429 0.000 1.238 936 Y CA -0.900 56.802 58.100 -0.663 0.000 1.405 936 Y CB 0.293 37.854 38.460 -1.499 0.000 1.310 936 Y HN 0.178 nan 8.280 nan 0.000 0.569 937 K N 2.818 123.163 120.400 -0.092 0.000 2.276 937 K HA 0.088 4.407 4.320 -0.003 0.000 0.283 937 K C 0.343 176.982 176.600 0.065 0.000 1.044 937 K CA -0.263 55.990 56.287 -0.056 0.000 0.944 937 K CB 0.797 33.292 32.500 -0.008 0.000 1.012 937 K HN 0.784 nan 8.250 nan 0.000 0.472 938 N N 2.078 120.829 118.700 0.086 0.000 2.149 938 N HA -0.182 4.556 4.740 -0.003 0.000 0.188 938 N C 0.820 176.411 175.510 0.134 0.000 1.019 938 N CA 1.392 54.551 53.050 0.181 0.000 0.857 938 N CB 0.022 38.673 38.487 0.274 0.000 0.997 938 N HN 0.628 nan 8.380 nan 0.000 0.426 939 D N -1.002 119.456 120.400 0.095 0.000 2.349 939 D HA 0.019 4.657 4.640 -0.003 0.000 0.224 939 D C 0.930 177.268 176.300 0.063 0.000 1.029 939 D CA 0.333 54.379 54.000 0.077 0.000 0.879 939 D CB -0.434 40.403 40.800 0.060 0.000 0.906 939 D HN 0.201 nan 8.370 nan 0.000 0.528 940 G N 0.257 109.095 108.800 0.063 0.000 4.238 940 G HA2 0.135 4.093 3.960 -0.003 0.000 0.292 940 G HA3 0.135 4.093 3.960 -0.003 0.000 0.292 940 G C 0.829 175.774 174.900 0.074 0.000 1.036 940 G CA -0.283 44.856 45.100 0.065 0.000 0.812 940 G HN 0.138 nan 8.290 nan 0.000 0.489 941 I N 0.414 121.009 120.570 0.040 0.000 2.208 941 I HA -0.174 3.994 4.170 -0.003 0.000 0.245 941 I C 2.487 178.629 176.117 0.042 0.000 1.097 941 I CA 1.665 62.954 61.300 -0.018 0.000 1.363 941 I CB 0.132 38.079 38.000 -0.089 0.000 1.051 941 I HN 0.133 nan 8.210 nan 0.000 0.413 942 Q N 0.485 120.317 119.800 0.053 0.000 2.077 942 Q HA -0.231 4.107 4.340 -0.003 0.000 0.206 942 Q C 2.105 178.136 176.000 0.051 0.000 0.989 942 Q CA 1.898 57.721 55.803 0.033 0.000 0.853 942 Q CB -0.814 27.946 28.738 0.037 0.000 0.907 942 Q HN 0.594 nan 8.270 nan 0.000 0.418 943 N N 0.044 118.794 118.700 0.084 0.000 2.188 943 N HA -0.151 4.588 4.740 -0.003 0.000 0.184 943 N C 1.663 177.254 175.510 0.135 0.000 1.018 943 N CA 0.898 54.013 53.050 0.108 0.000 0.858 943 N CB -0.567 37.974 38.487 0.090 0.000 0.989 943 N HN 0.342 nan 8.380 nan 0.000 0.426 944 Y N 2.295 122.601 120.300 0.010 0.000 2.128 944 Y HA -0.170 4.378 4.550 -0.003 0.000 0.284 944 Y C 2.138 178.013 175.900 -0.041 0.000 1.154 944 Y CA 1.704 59.812 58.100 0.014 0.000 1.149 944 Y CB -0.281 38.192 38.460 0.022 0.000 0.976 944 Y HN 0.112 nan 8.280 nan 0.000 0.505 945 I N -2.529 118.044 120.570 0.005 0.000 3.251 945 I HA 0.020 4.188 4.170 -0.003 0.000 0.277 945 I C 1.848 177.867 176.117 -0.163 0.000 1.268 945 I CA 1.340 62.522 61.300 -0.198 0.000 1.449 945 I CB -0.456 37.365 38.000 -0.298 0.000 1.083 945 I HN 0.184 nan 8.210 nan 0.000 0.464 946 H N 1.316 120.291 119.070 -0.157 0.000 2.476 946 H HA 0.288 4.842 4.556 -0.003 0.000 0.292 946 H C 0.301 175.570 175.328 -0.098 0.000 1.019 946 H CA 0.216 56.189 56.048 -0.124 0.000 1.330 946 H CB 0.432 30.147 29.762 -0.079 0.000 1.451 946 H HN 0.202 nan 8.280 nan 0.000 0.535 947 N N 2.206 120.870 118.700 -0.060 0.000 2.408 947 N HA 0.032 4.770 4.740 -0.003 0.000 0.257 947 N C -0.650 174.828 175.510 -0.053 0.000 1.064 947 N CA -0.024 52.990 53.050 -0.059 0.000 0.952 947 N CB 1.244 39.764 38.487 0.057 0.000 1.093 947 N HN 0.523 nan 8.380 nan 0.000 0.490 948 E N 2.511 122.635 120.200 -0.125 0.000 2.283 948 E HA 0.210 4.558 4.350 -0.003 0.000 0.278 948 E C -1.164 175.417 176.600 -0.030 0.000 1.027 948 E CA -0.592 55.708 56.400 -0.167 0.000 0.843 948 E CB 0.585 30.162 29.700 -0.206 0.000 1.062 948 E HN 0.514 nan 8.360 nan 0.000 0.401 949 Y N -0.126 120.120 120.300 -0.089 0.000 2.457 949 Y HA 0.419 4.967 4.550 -0.004 0.000 0.343 949 Y C -0.556 175.319 175.900 -0.041 0.000 0.994 949 Y CA -1.191 56.873 58.100 -0.060 0.000 1.031 949 Y CB 0.935 39.367 38.460 -0.048 0.000 1.246 949 Y HN 0.154 nan 8.280 nan 0.000 0.449 950 T N 4.331 118.933 114.554 0.080 0.000 2.899 950 T HA 0.309 4.657 4.350 -0.003 0.000 0.295 950 T C 1.164 175.931 174.700 0.112 0.000 1.033 950 T CA 0.191 62.305 62.100 0.024 0.000 1.084 950 T CB 0.670 69.530 68.868 -0.014 0.000 0.979 950 T HN 0.843 nan 8.240 nan 0.000 0.532 951 I N -1.297 119.311 120.570 0.062 0.000 4.530 951 I HA 0.505 4.673 4.170 -0.003 0.000 0.318 951 I C -0.217 175.892 176.117 -0.014 0.000 1.257 951 I CA -0.046 61.314 61.300 0.100 0.000 1.301 951 I CB 0.623 38.713 38.000 0.150 0.000 1.297 951 I HN 0.341 nan 8.210 nan 0.000 0.451 952 I N 2.394 122.903 120.570 -0.102 0.000 2.512 952 I HA 0.365 4.533 4.170 -0.003 0.000 0.287 952 I C -1.284 174.671 176.117 -0.270 0.000 1.069 952 I CA -0.329 60.775 61.300 -0.327 0.000 1.056 952 I CB 1.976 39.749 38.000 -0.379 0.000 1.229 952 I HN 0.179 nan 8.210 nan 0.000 0.429 953 N N 5.401 123.874 118.700 -0.378 0.000 2.346 953 N HA 0.461 5.200 4.740 -0.003 0.000 0.289 953 N C -1.770 173.395 175.510 -0.575 0.000 1.027 953 N CA -0.353 52.460 53.050 -0.395 0.000 0.864 953 N CB 2.432 40.771 38.487 -0.247 0.000 1.370 953 N HN 0.623 nan 8.380 nan 0.000 0.481 954 C N 6.840 125.639 119.300 -0.835 0.000 2.534 954 C HA 0.580 5.038 4.460 -0.003 0.000 0.309 954 C C -1.117 173.501 174.990 -0.621 0.000 1.072 954 C CA -0.466 58.006 59.018 -0.911 0.000 1.441 954 C CB -0.731 25.915 27.740 -1.822 0.000 1.906 954 C HN 0.642 nan 8.230 nan 0.000 0.429 955 M N 4.238 123.623 119.600 -0.358 0.000 2.518 955 M HA 0.538 5.016 4.480 -0.003 0.000 0.300 955 M C -0.864 175.339 176.300 -0.160 0.000 1.175 955 M CA -0.330 54.826 55.300 -0.239 0.000 0.890 955 M CB 2.180 34.664 32.600 -0.192 0.000 1.710 955 M HN 0.617 nan 8.290 nan 0.000 0.453 956 K N 2.556 122.882 120.400 -0.124 0.000 2.656 956 K HA 0.325 4.643 4.320 -0.003 0.000 0.253 956 K C -0.898 175.659 176.600 -0.072 0.000 1.002 956 K CA -0.166 56.070 56.287 -0.086 0.000 0.880 956 K CB 0.724 33.181 32.500 -0.072 0.000 1.232 956 K HN 0.765 nan 8.250 nan 0.000 0.456 957 N N 4.088 122.752 118.700 -0.061 0.000 2.771 957 N HA -0.176 4.563 4.740 -0.003 0.000 0.249 957 N C -0.937 174.541 175.510 -0.054 0.000 1.069 957 N CA 1.017 54.037 53.050 -0.050 0.000 0.688 957 N CB -1.138 37.324 38.487 -0.043 0.000 0.928 957 N HN 0.982 nan 8.380 nan 0.000 0.551 958 N N -2.080 116.583 118.700 -0.063 0.000 2.681 958 N HA -0.217 4.521 4.740 -0.003 0.000 0.250 958 N C -0.361 175.109 175.510 -0.067 0.000 1.133 958 N CA 1.647 54.658 53.050 -0.064 0.000 0.732 958 N CB -0.742 37.716 38.487 -0.050 0.000 1.107 958 N HN 0.625 nan 8.380 nan 0.000 0.559 959 S N -1.694 113.960 115.700 -0.076 0.000 2.599 959 S HA 0.857 5.325 4.470 -0.003 0.000 0.287 959 S C 0.270 174.811 174.600 -0.098 0.000 1.105 959 S CA 0.443 58.599 58.200 -0.073 0.000 0.899 959 S CB 2.307 65.472 63.200 -0.059 0.000 1.100 959 S HN 0.811 nan 8.310 nan 0.000 0.482 960 G N 1.709 110.462 108.800 -0.078 0.000 2.278 960 G HA2 0.143 4.102 3.960 -0.003 0.000 0.265 960 G HA3 0.143 4.102 3.960 -0.003 0.000 0.265 960 G C -1.624 173.269 174.900 -0.012 0.000 1.329 960 G CA -0.187 44.863 45.100 -0.083 0.000 1.017 960 G HN 1.066 nan 8.290 nan 0.000 0.472 961 W N 0.029 121.244 121.300 -0.140 0.000 2.902 961 W HA 0.890 5.547 4.660 -0.005 0.000 0.346 961 W C -0.718 175.623 176.519 -0.297 0.000 1.139 961 W CA -1.167 55.988 57.345 -0.316 0.000 1.139 961 W CB 1.769 31.021 29.460 -0.347 0.000 1.439 961 W HN 0.866 nan 8.180 nan 0.000 0.558 962 K N 1.241 121.559 120.400 -0.137 0.000 2.542 962 K HA 0.588 4.906 4.320 -0.003 0.000 0.259 962 K C -2.002 174.628 176.600 0.050 0.000 0.932 962 K CA -0.662 55.578 56.287 -0.079 0.000 0.820 962 K CB 2.550 34.963 32.500 -0.145 0.000 1.345 962 K HN 0.626 nan 8.250 nan 0.000 0.432 963 I N 3.182 123.867 120.570 0.191 0.000 2.406 963 I HA 0.304 4.473 4.170 -0.003 0.000 0.290 963 I C -0.383 175.802 176.117 0.114 0.000 0.999 963 I CA -0.418 61.055 61.300 0.288 0.000 1.124 963 I CB 1.951 40.201 38.000 0.417 0.000 1.289 963 I HN 0.762 nan 8.210 nan 0.000 0.441 964 S N 6.637 122.380 115.700 0.072 0.000 2.697 964 S HA 0.808 5.277 4.470 -0.003 0.000 0.289 964 S C -0.904 173.602 174.600 -0.156 0.000 1.149 964 S CA -0.781 57.377 58.200 -0.069 0.000 0.850 964 S CB 2.318 65.456 63.200 -0.104 0.000 1.151 964 S HN 0.442 nan 8.310 nan 0.000 0.491 965 I N 0.427 120.720 120.570 -0.462 0.000 2.686 965 I HA 0.551 4.719 4.170 -0.003 0.000 0.295 965 I C -0.547 175.129 176.117 -0.735 0.000 1.114 965 I CA -0.550 60.405 61.300 -0.575 0.000 1.038 965 I CB 2.470 40.085 38.000 -0.642 0.000 1.238 965 I HN 0.703 nan 8.210 nan 0.000 0.420 966 R N 3.993 124.202 120.500 -0.486 0.000 2.521 966 R HA 0.516 4.854 4.340 -0.003 0.000 0.295 966 R C 0.411 176.406 176.300 -0.508 0.000 1.183 966 R CA 0.376 56.211 56.100 -0.442 0.000 0.957 966 R CB 1.263 31.337 30.300 -0.377 0.000 1.171 966 R HN 0.946 nan 8.270 nan 0.000 0.494 967 G N 3.862 112.263 108.800 -0.665 0.000 2.634 967 G HA2 -0.456 3.502 3.960 -0.003 0.000 0.318 967 G HA3 -0.456 3.502 3.960 -0.003 0.000 0.318 967 G C 0.269 174.695 174.900 -0.790 0.000 1.207 967 G CA 0.602 44.875 45.100 -1.379 0.000 0.987 967 G HN 0.750 nan 8.290 nan 0.000 0.547 968 N N 1.384 119.771 118.700 -0.523 0.000 2.346 968 N HA 0.103 4.841 4.740 -0.003 0.000 0.225 968 N C 0.594 175.590 175.510 -0.857 0.000 1.144 968 N CA 0.690 53.384 53.050 -0.593 0.000 0.837 968 N CB 0.386 38.596 38.487 -0.463 0.000 1.069 968 N HN 0.894 nan 8.380 nan 0.000 0.487 969 R N 0.409 120.613 120.500 -0.492 0.000 2.575 969 R HA 0.487 4.825 4.340 -0.003 0.000 0.293 969 R C -1.510 174.707 176.300 -0.138 0.000 0.983 969 R CA -0.715 55.174 56.100 -0.351 0.000 0.887 969 R CB 1.454 31.507 30.300 -0.411 0.000 1.184 969 R HN 0.178 nan 8.270 nan 0.000 0.445 970 I N 5.838 126.452 120.570 0.074 0.000 2.377 970 I HA 0.436 4.605 4.170 -0.003 0.000 0.293 970 I C -1.171 175.091 176.117 0.243 0.000 0.987 970 I CA -0.916 60.500 61.300 0.193 0.000 1.185 970 I CB 1.148 39.385 38.000 0.396 0.000 1.341 970 I HN 0.644 nan 8.210 nan 0.000 0.455 971 I N 7.421 128.108 120.570 0.195 0.000 2.569 971 I HA 0.322 4.490 4.170 -0.003 0.000 0.296 971 I C -1.114 175.196 176.117 0.322 0.000 1.028 971 I CA -0.500 60.949 61.300 0.248 0.000 1.082 971 I CB 1.804 39.864 38.000 0.101 0.000 1.264 971 I HN 0.607 nan 8.210 nan 0.000 0.429 972 W N 6.222 127.618 121.300 0.160 0.000 2.475 972 W HA 0.569 5.227 4.660 -0.004 0.000 0.317 972 W C -1.545 175.057 176.519 0.138 0.000 1.046 972 W CA -0.412 57.026 57.345 0.156 0.000 1.215 972 W CB 1.912 31.440 29.460 0.112 0.000 1.335 972 W HN 0.430 nan 8.180 nan 0.000 0.471 973 T N 7.027 121.297 114.554 -0.474 0.000 2.848 973 T HA 0.525 4.873 4.350 -0.003 0.000 0.285 973 T C -0.377 174.029 174.700 -0.491 0.000 0.995 973 T CA -0.551 61.333 62.100 -0.360 0.000 0.970 973 T CB 1.792 70.562 68.868 -0.163 0.000 0.976 973 T HN 0.306 nan 8.240 nan 0.000 0.441 974 L N 3.546 124.606 121.223 -0.271 0.000 2.334 974 L HA 0.686 5.024 4.340 -0.003 0.000 0.276 974 L C -0.679 176.158 176.870 -0.055 0.000 1.014 974 L CA -1.020 53.743 54.840 -0.129 0.000 0.815 974 L CB 1.649 43.721 42.059 0.021 0.000 1.268 974 L HN 0.541 nan 8.230 nan 0.000 0.428 975 I N 1.906 122.454 120.570 -0.037 0.000 2.503 975 I HA 0.189 4.358 4.170 -0.003 0.000 0.282 975 I C -0.739 175.367 176.117 -0.019 0.000 1.059 975 I CA -0.795 60.485 61.300 -0.033 0.000 1.081 975 I CB 1.742 39.708 38.000 -0.057 0.000 1.210 975 I HN 0.591 nan 8.210 nan 0.000 0.450 976 D N 5.996 126.393 120.400 -0.006 0.000 2.414 976 D HA 0.092 4.730 4.640 -0.003 0.000 0.251 976 D C 1.458 177.747 176.300 -0.018 0.000 1.252 976 D CA -0.491 53.506 54.000 -0.006 0.000 0.999 976 D CB 0.845 41.650 40.800 0.008 0.000 1.093 976 D HN 0.613 nan 8.370 nan 0.000 0.515 977 I N -2.758 117.800 120.570 -0.019 0.000 2.423 977 I HA -0.220 3.948 4.170 -0.003 0.000 0.254 977 I C 0.787 176.894 176.117 -0.017 0.000 1.151 977 I CA 1.124 62.410 61.300 -0.022 0.000 1.421 977 I CB -0.604 37.383 38.000 -0.020 0.000 1.079 977 I HN 0.150 nan 8.210 nan 0.000 0.431 978 N N 1.657 120.351 118.700 -0.010 0.000 2.461 978 N HA 0.064 4.802 4.740 -0.003 0.000 0.188 978 N C 1.496 176.999 175.510 -0.010 0.000 1.134 978 N CA 1.038 54.083 53.050 -0.007 0.000 0.878 978 N CB 0.584 39.071 38.487 -0.000 0.000 0.972 978 N HN 0.703 nan 8.380 nan 0.000 0.456 979 G N 1.330 110.121 108.800 -0.016 0.000 2.143 979 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.249 979 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.249 979 G C 0.118 175.009 174.900 -0.015 0.000 0.981 979 G CA 0.143 45.231 45.100 -0.020 0.000 0.665 979 G HN 0.414 nan 8.290 nan 0.000 0.528 980 K N 0.795 121.190 120.400 -0.008 0.000 2.298 980 K HA 0.511 4.829 4.320 -0.003 0.000 0.280 980 K C -0.211 176.388 176.600 -0.003 0.000 1.032 980 K CA 0.227 56.514 56.287 -0.001 0.000 0.958 980 K CB 0.392 32.896 32.500 0.008 0.000 0.978 980 K HN 0.074 nan 8.250 nan 0.000 0.472 981 T N 4.214 118.767 114.554 -0.002 0.000 2.863 981 T HA 0.428 4.776 4.350 -0.003 0.000 0.285 981 T C -1.148 173.559 174.700 0.011 0.000 1.009 981 T CA -0.887 61.210 62.100 -0.005 0.000 0.989 981 T CB 1.239 70.097 68.868 -0.018 0.000 1.004 981 T HN 0.382 nan 8.240 nan 0.000 0.455 982 K N 1.719 122.129 120.400 0.017 0.000 2.501 982 K HA 0.726 5.044 4.320 -0.003 0.000 0.252 982 K C -1.082 175.549 176.600 0.051 0.000 0.934 982 K CA -0.709 55.604 56.287 0.044 0.000 0.797 982 K CB 2.494 35.033 32.500 0.065 0.000 1.270 982 K HN 0.589 nan 8.250 nan 0.000 0.431 983 S N 0.234 115.983 115.700 0.083 0.000 2.599 983 S HA 0.661 5.129 4.470 -0.003 0.000 0.287 983 S C -1.357 173.345 174.600 0.170 0.000 1.105 983 S CA -0.769 57.508 58.200 0.127 0.000 0.899 983 S CB 2.576 65.849 63.200 0.121 0.000 1.100 983 S HN 0.344 nan 8.310 nan 0.000 0.482 984 V N 2.903 122.955 119.914 0.230 0.000 2.971 984 V HA 0.935 5.053 4.120 -0.003 0.000 0.309 984 V C -2.130 174.090 176.094 0.210 0.000 1.130 984 V CA -0.786 61.582 62.300 0.113 0.000 0.964 984 V CB 1.717 33.593 31.823 0.088 0.000 1.029 984 V HN 0.902 nan 8.190 nan 0.000 0.427 985 F N 4.075 124.078 119.950 0.087 0.000 2.686 985 F HA 0.825 5.350 4.527 -0.003 0.000 0.311 985 F C -1.987 173.884 175.800 0.118 0.000 1.128 985 F CA -1.570 56.488 58.000 0.097 0.000 0.946 985 F CB 1.579 40.596 39.000 0.028 0.000 1.336 985 F HN 0.533 nan 8.300 nan 0.000 0.457 986 F N 2.051 122.150 119.950 0.247 0.000 2.507 986 F HA 0.597 5.123 4.527 -0.003 0.000 0.328 986 F C -1.069 174.829 175.800 0.163 0.000 1.136 986 F CA -0.615 57.447 58.000 0.104 0.000 0.930 986 F CB 1.581 40.581 39.000 -0.000 0.000 1.166 986 F HN 0.805 nan 8.300 nan 0.000 0.436 987 E N 6.491 126.336 120.200 -0.591 0.000 2.199 987 E HA 0.329 4.677 4.350 -0.003 0.000 0.265 987 E C -1.705 174.339 176.600 -0.928 0.000 0.882 987 E CA -0.807 55.182 56.400 -0.685 0.000 0.759 987 E CB 1.370 30.901 29.700 -0.282 0.000 1.148 987 E HN 0.632 nan 8.360 nan 0.000 0.412 988 Y N 1.747 121.610 120.300 -0.728 0.000 2.419 988 Y HA 0.454 5.003 4.550 -0.003 0.000 0.328 988 Y C 0.037 175.874 175.900 -0.105 0.000 1.162 988 Y CA -1.412 56.405 58.100 -0.472 0.000 1.174 988 Y CB 0.352 38.569 38.460 -0.405 0.000 1.228 988 Y HN 0.390 nan 8.280 nan 0.000 0.473 989 N N 1.819 120.630 118.700 0.184 0.000 2.492 989 N HA 0.165 4.903 4.740 -0.003 0.000 0.262 989 N C 0.095 175.778 175.510 0.290 0.000 1.202 989 N CA -0.126 53.029 53.050 0.175 0.000 0.926 989 N CB 0.356 38.949 38.487 0.177 0.000 1.078 989 N HN 0.793 nan 8.380 nan 0.000 0.454 990 I N -0.365 120.333 120.570 0.213 0.000 3.762 990 I HA 0.380 4.548 4.170 -0.003 0.000 0.333 990 I C 0.238 176.483 176.117 0.213 0.000 1.566 990 I CA -0.282 61.188 61.300 0.282 0.000 1.129 990 I CB 0.273 38.401 38.000 0.213 0.000 1.218 990 I HN 0.357 nan 8.210 nan 0.000 0.456 991 R N 1.026 121.640 120.500 0.189 0.000 2.596 991 R HA 0.303 4.641 4.340 -0.003 0.000 0.369 991 R C -0.299 176.110 176.300 0.181 0.000 1.042 991 R CA -0.259 55.932 56.100 0.152 0.000 1.120 991 R CB 0.652 31.012 30.300 0.100 0.000 1.353 991 R HN 0.364 nan 8.270 nan 0.000 0.564 992 E N 1.114 121.455 120.200 0.234 0.000 2.331 992 E HA 0.015 4.363 4.350 -0.003 0.000 0.272 992 E C 0.052 176.807 176.600 0.259 0.000 1.036 992 E CA -0.121 56.414 56.400 0.225 0.000 0.864 992 E CB 1.136 30.977 29.700 0.235 0.000 1.035 992 E HN 0.022 nan 8.360 nan 0.000 0.408 993 D N 0.958 121.486 120.400 0.213 0.000 2.149 993 D HA -0.078 4.561 4.640 -0.003 0.000 0.198 993 D C 0.473 176.928 176.300 0.259 0.000 0.990 993 D CA 1.342 55.477 54.000 0.225 0.000 0.839 993 D CB 0.374 41.278 40.800 0.175 0.000 0.948 993 D HN 0.287 nan 8.370 nan 0.000 0.460 994 I N 0.495 121.203 120.570 0.230 0.000 2.531 994 I HA 0.058 4.226 4.170 -0.003 0.000 0.283 994 I C -0.276 175.948 176.117 0.179 0.000 1.083 994 I CA -0.424 60.998 61.300 0.202 0.000 1.071 994 I CB 1.680 39.814 38.000 0.223 0.000 1.210 994 I HN -0.232 nan 8.210 nan 0.000 0.450 995 S N 4.698 120.524 115.700 0.209 0.000 2.562 995 S HA 0.310 4.779 4.470 -0.003 0.000 0.275 995 S C 0.819 175.423 174.600 0.007 0.000 1.281 995 S CA -0.197 58.112 58.200 0.182 0.000 1.045 995 S CB 1.049 64.442 63.200 0.322 0.000 0.962 995 S HN 0.594 nan 8.310 nan 0.000 0.503 996 E N 2.499 122.573 120.200 -0.211 0.000 2.465 996 E HA 0.073 4.421 4.350 -0.003 0.000 0.191 996 E C -0.152 176.061 176.600 -0.645 0.000 1.053 996 E CA 0.293 56.397 56.400 -0.493 0.000 0.869 996 E CB 0.195 29.500 29.700 -0.660 0.000 0.977 996 E HN 0.839 nan 8.360 nan 0.000 0.483 997 Y N -0.277 120.006 120.300 -0.028 0.000 2.701 997 Y HA 0.235 4.783 4.550 -0.003 0.000 0.275 997 Y C 1.033 176.938 175.900 0.009 0.000 1.133 997 Y CA -0.631 57.395 58.100 -0.123 0.000 1.241 997 Y CB 0.534 38.622 38.460 -0.620 0.000 1.389 997 Y HN -0.138 nan 8.280 nan 0.000 0.486 998 I N 3.360 124.046 120.570 0.193 0.000 2.872 998 I HA -0.212 3.956 4.170 -0.003 0.000 0.287 998 I C 0.925 177.308 176.117 0.443 0.000 1.197 998 I CA 1.064 62.561 61.300 0.328 0.000 1.390 998 I CB -0.308 37.994 38.000 0.503 0.000 1.400 998 I HN 0.581 nan 8.210 nan 0.000 0.544 999 N N 4.396 123.271 118.700 0.291 0.000 2.800 999 N HA -0.200 4.538 4.740 -0.003 0.000 0.250 999 N C -0.364 175.296 175.510 0.250 0.000 1.078 999 N CA 0.601 53.736 53.050 0.142 0.000 0.804 999 N CB -0.152 38.321 38.487 -0.023 0.000 1.135 999 N HN 0.635 nan 8.380 nan 0.000 0.565 1000 R N -0.255 120.473 120.500 0.381 0.000 2.562 1000 R HA 0.271 4.609 4.340 -0.003 0.000 0.298 1000 R C -0.724 175.869 176.300 0.489 0.000 0.961 1000 R CA -0.622 55.751 56.100 0.455 0.000 0.881 1000 R CB 0.688 31.238 30.300 0.417 0.000 1.159 1000 R HN 0.092 nan 8.270 nan 0.000 0.450 1001 W N 3.680 125.253 121.300 0.454 0.000 2.295 1001 W HA 0.060 4.720 4.660 -0.001 0.000 0.335 1001 W C 0.097 177.068 176.519 0.752 0.000 1.351 1001 W CA 0.374 58.018 57.345 0.498 0.000 1.273 1001 W CB 0.246 29.963 29.460 0.429 0.000 1.214 1001 W HN 0.471 nan 8.180 nan 0.000 0.563 1002 F N 2.627 123.113 119.950 0.893 0.000 2.654 1002 F HA 0.547 5.072 4.527 -0.002 0.000 0.308 1002 F C -1.704 174.198 175.800 0.170 0.000 1.108 1002 F CA -2.484 55.840 58.000 0.540 0.000 0.957 1002 F CB 0.560 39.811 39.000 0.418 0.000 1.309 1002 F HN 0.112 nan 8.300 nan 0.000 0.446 1003 F N 3.228 122.958 119.950 -0.365 0.000 2.410 1003 F HA 0.723 5.248 4.527 -0.003 0.000 0.348 1003 F C -0.918 174.611 175.800 -0.451 0.000 1.106 1003 F CA -1.183 56.259 58.000 -0.930 0.000 1.163 1003 F CB 1.193 39.475 39.000 -1.197 0.000 1.129 1003 F HN 0.438 nan 8.300 nan 0.000 0.516 1004 V N 4.497 123.792 119.914 -1.032 0.000 2.715 1004 V HA 0.664 4.782 4.120 -0.003 0.000 0.310 1004 V C -0.589 174.706 176.094 -1.331 0.000 1.054 1004 V CA -0.596 61.086 62.300 -1.030 0.000 0.928 1004 V CB 2.201 33.337 31.823 -1.145 0.000 1.007 1004 V HN 0.842 nan 8.190 nan 0.000 0.437 1005 T N 4.785 118.803 114.554 -0.892 0.000 3.237 1005 T HA 0.592 4.941 4.350 -0.003 0.000 0.319 1005 T C -0.842 173.580 174.700 -0.463 0.000 1.037 1005 T CA -0.210 61.447 62.100 -0.739 0.000 1.048 1005 T CB 1.085 69.486 68.868 -0.778 0.000 1.081 1005 T HN 0.385 nan 8.240 nan 0.000 0.455 1006 I N 3.295 123.541 120.570 -0.539 0.000 2.406 1006 I HA 0.577 4.745 4.170 -0.003 0.000 0.290 1006 I C 0.440 176.146 176.117 -0.685 0.000 0.999 1006 I CA -0.685 60.224 61.300 -0.652 0.000 1.124 1006 I CB 2.092 39.453 38.000 -1.064 0.000 1.289 1006 I HN 0.700 nan 8.210 nan 0.000 0.441 1007 T N 1.926 116.178 114.554 -0.503 0.000 2.887 1007 T HA 0.552 4.900 4.350 -0.003 0.000 0.288 1007 T C -0.698 173.786 174.700 -0.359 0.000 1.021 1007 T CA -0.951 60.898 62.100 -0.419 0.000 1.000 1007 T CB 1.788 70.526 68.868 -0.218 0.000 1.034 1007 T HN 0.472 nan 8.240 nan 0.000 0.467 1008 N N 2.574 121.095 118.700 -0.298 0.000 2.410 1008 N HA 0.410 5.148 4.740 -0.003 0.000 0.287 1008 N C -1.262 174.278 175.510 0.050 0.000 1.044 1008 N CA -0.633 52.358 53.050 -0.099 0.000 0.881 1008 N CB 2.405 40.852 38.487 -0.066 0.000 1.405 1008 N HN 0.911 nan 8.380 nan 0.000 0.490 1009 N N -0.106 118.674 118.700 0.133 0.000 2.761 1009 N HA 0.307 5.046 4.740 -0.003 0.000 0.283 1009 N C 0.990 176.722 175.510 0.370 0.000 1.377 1009 N CA -0.768 52.468 53.050 0.310 0.000 0.791 1009 N CB 0.334 38.970 38.487 0.248 0.000 1.540 1009 N HN 0.128 nan 8.380 nan 0.000 0.539 1010 L N -1.937 119.635 121.223 0.582 0.000 2.129 1010 L HA -0.003 4.335 4.340 -0.003 0.000 0.212 1010 L C 1.010 177.993 176.870 0.187 0.000 1.087 1010 L CA 1.571 56.659 54.840 0.413 0.000 0.757 1010 L CB -1.493 40.661 42.059 0.158 0.000 0.896 1010 L HN 0.554 nan 8.230 nan 0.000 0.434 1011 N N -0.779 117.996 118.700 0.125 0.000 2.499 1011 N HA 0.073 4.811 4.740 -0.003 0.000 0.182 1011 N C 0.224 175.774 175.510 0.067 0.000 1.034 1011 N CA 0.404 53.498 53.050 0.073 0.000 0.882 1011 N CB 0.041 38.549 38.487 0.035 0.000 1.125 1011 N HN 0.456 nan 8.380 nan 0.000 0.436 1012 N N 0.176 118.915 118.700 0.065 0.000 2.381 1012 N HA 0.521 5.259 4.740 -0.003 0.000 0.294 1012 N C -1.193 174.339 175.510 0.037 0.000 1.216 1012 N CA -0.431 52.642 53.050 0.038 0.000 0.803 1012 N CB 2.415 40.901 38.487 -0.001 0.000 1.372 1012 N HN -0.026 nan 8.380 nan 0.000 0.500 1013 A N 0.994 123.825 122.820 0.019 0.000 2.310 1013 A HA 0.530 4.848 4.320 -0.003 0.000 0.304 1013 A C -0.525 177.005 177.584 -0.090 0.000 1.231 1013 A CA -0.618 51.417 52.037 -0.002 0.000 0.799 1013 A CB 0.582 19.672 19.000 0.150 0.000 1.162 1013 A HN 0.521 nan 8.150 nan 0.000 0.486 1014 K N 2.013 122.310 120.400 -0.172 0.000 2.259 1014 K HA 0.701 5.019 4.320 -0.003 0.000 0.252 1014 K C -1.254 175.162 176.600 -0.307 0.000 0.936 1014 K CA -0.407 55.734 56.287 -0.243 0.000 0.810 1014 K CB 2.503 34.865 32.500 -0.231 0.000 1.143 1014 K HN 0.642 nan 8.250 nan 0.000 0.427 1015 I N 3.023 123.368 120.570 -0.375 0.000 2.406 1015 I HA 0.311 4.479 4.170 -0.003 0.000 0.290 1015 I C -1.127 174.693 176.117 -0.495 0.000 0.999 1015 I CA -0.899 60.199 61.300 -0.337 0.000 1.124 1015 I CB 0.971 38.846 38.000 -0.208 0.000 1.289 1015 I HN 0.472 nan 8.210 nan 0.000 0.441 1016 Y N 6.132 126.178 120.300 -0.424 0.000 2.409 1016 Y HA 0.545 5.093 4.550 -0.002 0.000 0.339 1016 Y C -0.108 175.454 175.900 -0.564 0.000 1.033 1016 Y CA -0.910 56.919 58.100 -0.451 0.000 1.094 1016 Y CB 1.718 39.921 38.460 -0.427 0.000 1.210 1016 Y HN 0.211 nan 8.280 nan 0.000 0.456 1017 I N 3.352 123.654 120.570 -0.447 0.000 2.447 1017 I HA 0.206 4.374 4.170 -0.003 0.000 0.287 1017 I C -0.316 175.555 176.117 -0.410 0.000 1.023 1017 I CA -1.115 59.865 61.300 -0.534 0.000 1.083 1017 I CB 1.276 38.688 38.000 -0.980 0.000 1.245 1017 I HN 0.726 nan 8.210 nan 0.000 0.434 1018 N N 5.078 123.528 118.700 -0.417 0.000 2.727 1018 N HA -0.211 4.527 4.740 -0.003 0.000 0.249 1018 N C 1.175 176.113 175.510 -0.954 0.000 1.048 1018 N CA 1.371 53.908 53.050 -0.855 0.000 0.714 1018 N CB -0.953 37.190 38.487 -0.574 0.000 0.959 1018 N HN 1.145 nan 8.380 nan 0.000 0.544 1019 G N -1.216 107.302 108.800 -0.471 0.000 2.253 1019 G HA2 -0.387 3.571 3.960 -0.003 0.000 0.251 1019 G HA3 -0.387 3.571 3.960 -0.003 0.000 0.251 1019 G C 0.076 174.931 174.900 -0.075 0.000 0.998 1019 G CA 0.866 45.830 45.100 -0.228 0.000 0.621 1019 G HN 0.720 nan 8.290 nan 0.000 0.524 1020 K N 0.612 120.940 120.400 -0.120 0.000 2.183 1020 K HA 0.654 4.972 4.320 -0.003 0.000 0.274 1020 K C 0.328 176.851 176.600 -0.127 0.000 1.009 1020 K CA -1.075 55.174 56.287 -0.064 0.000 0.888 1020 K CB 0.964 33.397 32.500 -0.112 0.000 1.078 1020 K HN 0.255 nan 8.250 nan 0.000 0.459 1021 L N 4.177 125.283 121.223 -0.196 0.000 2.499 1021 L HA 0.037 4.375 4.340 -0.003 0.000 0.273 1021 L C 0.472 177.099 176.870 -0.406 0.000 1.195 1021 L CA 0.986 55.458 54.840 -0.613 0.000 0.882 1021 L CB 0.590 42.305 42.059 -0.572 0.000 1.133 1021 L HN 0.835 nan 8.230 nan 0.000 0.483 1022 E N 2.041 121.972 120.200 -0.448 0.000 2.367 1022 E HA 0.243 4.591 4.350 -0.003 0.000 0.204 1022 E C -0.215 176.257 176.600 -0.214 0.000 0.840 1022 E CA 0.338 56.577 56.400 -0.268 0.000 1.051 1022 E CB 0.596 30.118 29.700 -0.296 0.000 1.051 1022 E HN 0.702 nan 8.360 nan 0.000 0.509 1023 S N 0.603 116.133 115.700 -0.283 0.000 2.595 1023 S HA 0.543 5.011 4.470 -0.003 0.000 0.281 1023 S C -0.714 173.726 174.600 -0.267 0.000 1.117 1023 S CA -0.880 57.166 58.200 -0.258 0.000 0.873 1023 S CB 2.376 65.414 63.200 -0.269 0.000 1.108 1023 S HN -0.001 nan 8.310 nan 0.000 0.477 1024 N N 0.234 118.805 118.700 -0.216 0.000 2.277 1024 N HA 0.633 5.371 4.740 -0.003 0.000 0.286 1024 N C -1.926 173.513 175.510 -0.117 0.000 1.140 1024 N CA -0.200 52.751 53.050 -0.165 0.000 0.799 1024 N CB 2.385 40.784 38.487 -0.147 0.000 1.596 1024 N HN 0.610 nan 8.380 nan 0.000 0.473 1025 T N 0.769 115.284 114.554 -0.066 0.000 3.032 1025 T HA 0.154 4.502 4.350 -0.003 0.000 0.312 1025 T C -1.414 173.289 174.700 0.004 0.000 1.078 1025 T CA -0.663 61.423 62.100 -0.024 0.000 1.028 1025 T CB 1.486 70.362 68.868 0.014 0.000 1.091 1025 T HN 0.365 nan 8.240 nan 0.000 0.457 1026 D N 3.231 123.635 120.400 0.007 0.000 2.343 1026 D HA 0.133 4.771 4.640 -0.003 0.000 0.255 1026 D C 0.669 176.993 176.300 0.041 0.000 1.187 1026 D CA -0.305 53.706 54.000 0.019 0.000 0.875 1026 D CB 0.587 41.394 40.800 0.011 0.000 1.136 1026 D HN 0.670 nan 8.370 nan 0.000 0.469 1027 I N 0.809 121.415 120.570 0.059 0.000 3.531 1027 I HA 0.207 4.375 4.170 -0.003 0.000 0.341 1027 I C 1.154 177.318 176.117 0.078 0.000 1.550 1027 I CA -0.800 60.547 61.300 0.078 0.000 1.087 1027 I CB 0.440 38.507 38.000 0.113 0.000 1.408 1027 I HN 0.043 nan 8.210 nan 0.000 0.484 1028 K N 1.381 121.817 120.400 0.059 0.000 2.026 1028 K HA -0.123 4.195 4.320 -0.003 0.000 0.208 1028 K C 1.198 177.831 176.600 0.054 0.000 1.048 1028 K CA 2.068 58.388 56.287 0.056 0.000 0.929 1028 K CB -0.080 32.443 32.500 0.037 0.000 0.713 1028 K HN 0.468 nan 8.250 nan 0.000 0.439 1029 D N 0.950 121.377 120.400 0.045 0.000 2.117 1029 D HA -0.120 4.518 4.640 -0.003 0.000 0.197 1029 D C 0.878 177.205 176.300 0.045 0.000 0.987 1029 D CA 0.603 54.626 54.000 0.039 0.000 0.829 1029 D CB -0.188 40.630 40.800 0.031 0.000 0.961 1029 D HN 0.051 nan 8.370 nan 0.000 0.460 1030 I N 2.690 123.292 120.570 0.053 0.000 2.996 1030 I HA -0.177 3.991 4.170 -0.003 0.000 0.310 1030 I C 1.451 177.603 176.117 0.058 0.000 1.225 1030 I CA 0.660 61.994 61.300 0.056 0.000 1.442 1030 I CB 0.193 38.238 38.000 0.075 0.000 1.334 1030 I HN -0.055 nan 8.210 nan 0.000 0.550 1031 R N 5.084 125.609 120.500 0.043 0.000 1.177 1031 R HA 0.200 4.538 4.340 -0.003 0.000 0.084 1031 R C 0.174 176.495 176.300 0.034 0.000 1.117 1031 R CA -0.443 55.681 56.100 0.040 0.000 2.033 1031 R CB -0.349 29.967 30.300 0.026 0.000 0.945 1031 R HN 0.578 nan 8.270 nan 0.000 0.717 1032 E N 1.224 121.433 120.200 0.014 0.000 2.316 1032 E HA 0.202 4.550 4.350 -0.003 0.000 0.275 1032 E C -1.105 175.480 176.600 -0.025 0.000 1.029 1032 E CA -0.146 56.249 56.400 -0.009 0.000 0.871 1032 E CB 0.779 30.468 29.700 -0.019 0.000 1.022 1032 E HN 0.040 nan 8.360 nan 0.000 0.418 1033 V N 6.832 126.714 119.914 -0.053 0.000 2.407 1033 V HA 0.261 4.379 4.120 -0.003 0.000 0.291 1033 V C -0.030 175.972 176.094 -0.152 0.000 1.018 1033 V CA -0.659 61.604 62.300 -0.062 0.000 0.842 1033 V CB 1.385 33.209 31.823 0.001 0.000 0.996 1033 V HN 0.663 nan 8.190 nan 0.000 0.426 1034 I N 4.275 124.767 120.570 -0.130 0.000 2.347 1034 I HA 0.325 4.493 4.170 -0.003 0.000 0.294 1034 I C 1.121 177.128 176.117 -0.183 0.000 1.090 1034 I CA 0.111 61.306 61.300 -0.174 0.000 1.314 1034 I CB 1.128 39.061 38.000 -0.111 0.000 1.423 1034 I HN 0.721 nan 8.210 nan 0.000 0.503 1035 A N 4.756 127.352 122.820 -0.374 0.000 2.430 1035 A HA 0.100 4.418 4.320 -0.003 0.000 0.243 1035 A C 1.070 178.701 177.584 0.079 0.000 1.254 1035 A CA -0.239 51.682 52.037 -0.194 0.000 0.914 1035 A CB -0.577 18.007 19.000 -0.693 0.000 0.998 1035 A HN 0.824 nan 8.150 nan 0.000 0.515 1036 N N -0.537 118.174 118.700 0.018 0.000 2.251 1036 N HA 0.284 5.023 4.740 -0.003 0.000 0.217 1036 N C 0.773 176.353 175.510 0.118 0.000 1.124 1036 N CA 0.411 53.605 53.050 0.240 0.000 0.843 1036 N CB 0.222 38.860 38.487 0.252 0.000 1.024 1036 N HN 0.169 nan 8.380 nan 0.000 0.501 1037 G N -0.133 108.687 108.800 0.033 0.000 2.653 1037 G HA2 0.093 4.051 3.960 -0.003 0.000 0.265 1037 G HA3 0.093 4.051 3.960 -0.003 0.000 0.265 1037 G C -0.593 174.297 174.900 -0.016 0.000 1.237 1037 G CA -0.637 44.448 45.100 -0.024 0.000 0.946 1037 G HN 0.334 nan 8.290 nan 0.000 0.522 1038 E N -1.117 119.058 120.200 -0.041 0.000 2.392 1038 E HA 0.147 4.496 4.350 -0.003 0.000 0.264 1038 E C -0.198 176.346 176.600 -0.093 0.000 1.024 1038 E CA 0.013 56.396 56.400 -0.027 0.000 0.903 1038 E CB 0.397 30.082 29.700 -0.026 0.000 0.963 1038 E HN 0.205 nan 8.360 nan 0.000 0.432 1039 I N 5.471 126.017 120.570 -0.039 0.000 2.339 1039 I HA 0.222 4.390 4.170 -0.003 0.000 0.290 1039 I C -0.409 175.661 176.117 -0.079 0.000 0.994 1039 I CA -0.716 60.502 61.300 -0.137 0.000 1.191 1039 I CB 1.029 39.026 38.000 -0.005 0.000 1.343 1039 I HN 0.345 nan 8.210 nan 0.000 0.458 1040 I N 6.819 127.273 120.570 -0.194 0.000 2.330 1040 I HA 0.293 4.461 4.170 -0.003 0.000 0.289 1040 I C -0.525 175.507 176.117 -0.141 0.000 1.001 1040 I CA -0.428 60.825 61.300 -0.077 0.000 1.193 1040 I CB 0.879 38.827 38.000 -0.086 0.000 1.345 1040 I HN 0.324 nan 8.210 nan 0.000 0.461 1041 F N 6.255 126.159 119.950 -0.076 0.000 2.371 1041 F HA 0.534 5.060 4.527 -0.001 0.000 0.363 1041 F C 0.495 176.288 175.800 -0.012 0.000 1.122 1041 F CA -0.357 57.611 58.000 -0.053 0.000 1.129 1041 F CB 0.818 39.766 39.000 -0.087 0.000 1.173 1041 F HN 0.375 nan 8.300 nan 0.000 0.489 1042 K N 3.639 124.119 120.400 0.134 0.000 2.610 1042 K HA 0.349 4.667 4.320 -0.003 0.000 0.267 1042 K C -1.887 174.762 176.600 0.081 0.000 0.943 1042 K CA -0.692 55.651 56.287 0.093 0.000 0.862 1042 K CB 1.238 33.759 32.500 0.035 0.000 1.376 1042 K HN 0.534 nan 8.250 nan 0.000 0.412 1043 L N 3.224 124.492 121.223 0.075 0.000 2.369 1043 L HA 0.251 4.589 4.340 -0.003 0.000 0.279 1043 L C -0.453 176.438 176.870 0.035 0.000 1.108 1043 L CA 0.050 54.935 54.840 0.075 0.000 0.852 1043 L CB 0.468 42.513 42.059 -0.024 0.000 1.169 1043 L HN 0.603 nan 8.230 nan 0.000 0.452 1044 D N 2.986 123.434 120.400 0.080 0.000 2.473 1044 D HA 0.683 5.321 4.640 -0.003 0.000 0.253 1044 D C -0.160 176.183 176.300 0.072 0.000 1.233 1044 D CA -0.025 53.998 54.000 0.039 0.000 0.908 1044 D CB 1.392 42.198 40.800 0.009 0.000 1.170 1044 D HN 0.652 nan 8.370 nan 0.000 0.558 1045 G N 2.484 111.309 108.800 0.043 0.000 2.333 1045 G HA2 0.128 4.086 3.960 -0.003 0.000 0.288 1045 G HA3 0.128 4.086 3.960 -0.003 0.000 0.288 1045 G C -1.381 173.530 174.900 0.017 0.000 1.286 1045 G CA -0.982 44.152 45.100 0.057 0.000 0.865 1045 G HN 0.332 nan 8.290 nan 0.000 0.506 1046 D N 0.814 121.230 120.400 0.027 0.000 2.558 1046 D HA 0.434 5.073 4.640 -0.003 0.000 0.221 1046 D C 1.015 177.308 176.300 -0.012 0.000 1.143 1046 D CA -0.173 53.832 54.000 0.007 0.000 1.010 1046 D CB -0.488 40.327 40.800 0.024 0.000 1.068 1046 D HN 0.590 nan 8.370 nan 0.000 0.511 1047 I N -1.814 118.711 120.570 -0.075 0.000 2.676 1047 I HA 0.490 4.659 4.170 -0.003 0.000 0.309 1047 I C 0.279 176.344 176.117 -0.088 0.000 0.990 1047 I CA -1.041 60.168 61.300 -0.151 0.000 1.168 1047 I CB 1.404 39.203 38.000 -0.335 0.000 1.343 1047 I HN -0.053 nan 8.210 nan 0.000 0.482 1048 D N 2.626 122.980 120.400 -0.077 0.000 2.339 1048 D HA 0.081 4.719 4.640 -0.003 0.000 0.245 1048 D C 1.230 177.507 176.300 -0.038 0.000 1.115 1048 D CA -0.358 53.623 54.000 -0.032 0.000 0.917 1048 D CB 1.438 42.236 40.800 -0.004 0.000 1.192 1048 D HN 0.779 nan 8.370 nan 0.000 0.428 1049 R N 0.694 121.185 120.500 -0.014 0.000 2.127 1049 R HA -0.148 4.190 4.340 -0.003 0.000 0.238 1049 R C 1.490 177.800 176.300 0.017 0.000 1.134 1049 R CA 1.870 57.966 56.100 -0.006 0.000 0.975 1049 R CB -0.928 29.373 30.300 0.002 0.000 0.865 1049 R HN 0.417 nan 8.270 nan 0.000 0.447 1050 T N -2.340 112.234 114.554 0.034 0.000 3.088 1050 T HA -0.062 4.286 4.350 -0.003 0.000 0.259 1050 T C 0.749 175.526 174.700 0.129 0.000 1.122 1050 T CA -0.073 62.082 62.100 0.091 0.000 1.095 1050 T CB 0.011 68.928 68.868 0.082 0.000 0.930 1050 T HN 0.190 nan 8.240 nan 0.000 0.508 1051 Q N 1.953 121.761 119.800 0.014 0.000 2.274 1051 Q HA 0.427 4.765 4.340 -0.003 0.000 0.280 1051 Q C -0.584 175.425 176.000 0.015 0.000 1.047 1051 Q CA -0.236 55.519 55.803 -0.080 0.000 0.907 1051 Q CB -0.227 28.379 28.738 -0.219 0.000 1.171 1051 Q HN 0.631 nan 8.270 nan 0.000 0.381 1052 F N 2.038 121.955 119.950 -0.055 0.000 2.692 1052 F HA 0.833 5.358 4.527 -0.003 0.000 0.320 1052 F C -1.357 174.432 175.800 -0.019 0.000 1.123 1052 F CA -1.377 56.580 58.000 -0.072 0.000 0.961 1052 F CB 1.262 40.200 39.000 -0.103 0.000 1.383 1052 F HN 0.267 nan 8.300 nan 0.000 0.483 1053 I N 0.840 121.552 120.570 0.237 0.000 2.722 1053 I HA 0.206 4.375 4.170 -0.003 0.000 0.292 1053 I C -1.905 174.271 176.117 0.098 0.000 1.267 1053 I CA -0.925 60.474 61.300 0.166 0.000 1.036 1053 I CB 1.911 40.010 38.000 0.165 0.000 1.281 1053 I HN 0.828 nan 8.210 nan 0.000 0.423 1054 W N 6.121 127.465 121.300 0.074 0.000 2.551 1054 W HA 0.766 5.424 4.660 -0.005 0.000 0.330 1054 W C 0.074 176.564 176.519 -0.048 0.000 1.063 1054 W CA -0.426 56.909 57.345 -0.017 0.000 1.222 1054 W CB 1.844 31.191 29.460 -0.188 0.000 1.349 1054 W HN 0.305 nan 8.180 nan 0.000 0.536 1055 M N 2.667 122.347 119.600 0.134 0.000 2.618 1055 M HA 0.488 4.966 4.480 -0.003 0.000 0.281 1055 M C -1.291 174.998 176.300 -0.019 0.000 1.267 1055 M CA -0.744 54.568 55.300 0.019 0.000 0.845 1055 M CB 2.467 34.761 32.600 -0.510 0.000 1.732 1055 M HN 0.382 nan 8.290 nan 0.000 0.461 1056 K N 1.462 122.017 120.400 0.257 0.000 2.562 1056 K HA 0.311 4.630 4.320 -0.003 0.000 0.267 1056 K C -1.560 175.297 176.600 0.428 0.000 0.938 1056 K CA -0.516 55.835 56.287 0.106 0.000 0.840 1056 K CB 1.306 33.568 32.500 -0.397 0.000 1.390 1056 K HN 0.820 nan 8.250 nan 0.000 0.428 1057 Y N 1.361 121.899 120.300 0.396 0.000 3.078 1057 Y HA -0.287 4.260 4.550 -0.004 0.000 0.202 1057 Y C -0.614 175.625 175.900 0.566 0.000 1.322 1057 Y CA -0.025 58.334 58.100 0.432 0.000 1.118 1057 Y CB -1.160 37.537 38.460 0.396 0.000 1.343 1057 Y HN 0.471 nan 8.280 nan 0.000 0.499 1058 F N 2.605 122.948 119.950 0.654 0.000 2.472 1058 F HA 0.435 4.959 4.527 -0.005 0.000 0.364 1058 F C 0.472 176.569 175.800 0.496 0.000 1.090 1058 F CA 0.213 58.602 58.000 0.648 0.000 1.188 1058 F CB 0.539 39.960 39.000 0.701 0.000 1.105 1058 F HN 0.089 nan 8.300 nan 0.000 0.536 1059 S N 6.026 121.645 115.700 -0.134 0.000 2.618 1059 S HA 0.811 5.279 4.470 -0.003 0.000 0.277 1059 S C -1.062 173.401 174.600 -0.228 0.000 1.138 1059 S CA -0.961 57.192 58.200 -0.079 0.000 0.844 1059 S CB 1.905 65.099 63.200 -0.010 0.000 1.127 1059 S HN 0.565 nan 8.310 nan 0.000 0.474 1060 I N 1.038 121.508 120.570 -0.167 0.000 2.647 1060 I HA 0.555 4.723 4.170 -0.003 0.000 0.295 1060 I C -1.631 174.360 176.117 -0.210 0.000 1.078 1060 I CA -0.682 60.586 61.300 -0.052 0.000 1.048 1060 I CB 1.916 39.982 38.000 0.110 0.000 1.239 1060 I HN 0.563 nan 8.210 nan 0.000 0.421 1061 F N 2.716 122.636 119.950 -0.051 0.000 2.520 1061 F HA 0.301 4.828 4.527 0.000 0.000 0.322 1061 F C 0.645 176.433 175.800 -0.020 0.000 1.103 1061 F CA -1.093 56.874 58.000 -0.054 0.000 0.926 1061 F CB 1.209 40.169 39.000 -0.066 0.000 1.154 1061 F HN 0.462 nan 8.300 nan 0.000 0.453 1062 N N 0.087 118.832 118.700 0.075 0.000 2.484 1062 N HA 0.153 4.891 4.740 -0.003 0.000 0.245 1062 N C -0.394 175.205 175.510 0.149 0.000 1.184 1062 N CA 0.034 53.103 53.050 0.032 0.000 0.884 1062 N CB 0.445 38.829 38.487 -0.172 0.000 1.182 1062 N HN 0.588 nan 8.380 nan 0.000 0.493 1063 T N -1.494 113.169 114.554 0.183 0.000 2.786 1063 T HA 0.156 4.504 4.350 -0.003 0.000 0.316 1063 T C -2.048 172.676 174.700 0.040 0.000 1.503 1063 T CA -0.860 61.310 62.100 0.117 0.000 1.019 1063 T CB 1.269 70.189 68.868 0.087 0.000 1.415 1063 T HN 0.291 nan 8.240 nan 0.000 0.496 1064 E N 2.858 123.064 120.200 0.010 0.000 2.259 1064 E HA 0.414 4.762 4.350 -0.003 0.000 0.281 1064 E C -0.578 175.930 176.600 -0.153 0.000 1.037 1064 E CA -0.406 55.947 56.400 -0.078 0.000 0.854 1064 E CB 0.473 30.166 29.700 -0.012 0.000 1.051 1064 E HN 0.479 nan 8.360 nan 0.000 0.409 1065 L N 3.541 124.591 121.223 -0.287 0.000 2.395 1065 L HA 0.186 4.524 4.340 -0.003 0.000 0.269 1065 L C 0.632 177.316 176.870 -0.309 0.000 1.133 1065 L CA -0.469 54.151 54.840 -0.366 0.000 0.812 1065 L CB 1.327 43.047 42.059 -0.564 0.000 1.125 1065 L HN 0.625 nan 8.230 nan 0.000 0.452 1066 S N 0.737 116.281 115.700 -0.260 0.000 2.652 1066 S HA 0.091 4.559 4.470 -0.003 0.000 0.270 1066 S C 0.639 175.062 174.600 -0.296 0.000 1.243 1066 S CA -0.663 57.413 58.200 -0.206 0.000 0.999 1066 S CB 1.539 64.661 63.200 -0.131 0.000 0.973 1066 S HN 0.674 nan 8.310 nan 0.000 0.544 1067 Q N 0.908 120.576 119.800 -0.221 0.000 2.197 1067 Q HA -0.149 4.189 4.340 -0.003 0.000 0.207 1067 Q C 2.035 177.925 176.000 -0.183 0.000 0.984 1067 Q CA 2.151 57.818 55.803 -0.227 0.000 0.869 1067 Q CB -0.747 27.986 28.738 -0.007 0.000 0.906 1067 Q HN 0.833 nan 8.270 nan 0.000 0.426 1068 S N 0.345 115.965 115.700 -0.133 0.000 2.357 1068 S HA -0.069 4.399 4.470 -0.003 0.000 0.221 1068 S C 1.577 176.110 174.600 -0.112 0.000 1.031 1068 S CA 1.009 59.152 58.200 -0.095 0.000 0.982 1068 S CB -0.102 63.055 63.200 -0.071 0.000 0.853 1068 S HN 0.475 nan 8.310 nan 0.000 0.458 1069 N N 1.456 120.063 118.700 -0.156 0.000 2.149 1069 N HA -0.043 4.696 4.740 -0.003 0.000 0.188 1069 N C 1.799 177.212 175.510 -0.161 0.000 1.019 1069 N CA 1.515 54.466 53.050 -0.166 0.000 0.857 1069 N CB -0.437 37.909 38.487 -0.236 0.000 0.997 1069 N HN 0.492 nan 8.380 nan 0.000 0.426 1070 I N 0.979 121.412 120.570 -0.228 0.000 2.233 1070 I HA -0.197 3.971 4.170 -0.003 0.000 0.243 1070 I C 2.493 178.617 176.117 0.011 0.000 1.093 1070 I CA 0.900 62.093 61.300 -0.178 0.000 1.380 1070 I CB -0.209 37.493 38.000 -0.497 0.000 1.067 1070 I HN 0.013 nan 8.210 nan 0.000 0.413 1071 E N 1.551 121.730 120.200 -0.035 0.000 2.085 1071 E HA -0.301 4.047 4.350 -0.003 0.000 0.194 1071 E C 1.975 178.639 176.600 0.108 0.000 0.994 1071 E CA 1.746 58.185 56.400 0.064 0.000 0.801 1071 E CB -0.178 29.535 29.700 0.022 0.000 0.743 1071 E HN 0.458 nan 8.360 nan 0.000 0.453 1072 E N -0.257 119.961 120.200 0.030 0.000 2.106 1072 E HA -0.195 4.154 4.350 -0.003 0.000 0.192 1072 E C 2.257 178.863 176.600 0.010 0.000 0.984 1072 E CA 0.854 57.261 56.400 0.010 0.000 0.806 1072 E CB -0.095 29.591 29.700 -0.024 0.000 0.750 1072 E HN 0.169 nan 8.360 nan 0.000 0.458 1073 R N -0.641 119.873 120.500 0.023 0.000 2.092 1073 R HA -0.187 4.151 4.340 -0.003 0.000 0.231 1073 R C 2.326 178.551 176.300 -0.125 0.000 1.119 1073 R CA 1.426 57.521 56.100 -0.008 0.000 0.970 1073 R CB -0.373 29.983 30.300 0.093 0.000 0.864 1073 R HN 0.252 nan 8.270 nan 0.000 0.440 1074 Y N 1.561 121.715 120.300 -0.244 0.000 2.097 1074 Y HA -0.247 4.301 4.550 -0.003 0.000 0.282 1074 Y C 1.717 177.598 175.900 -0.032 0.000 1.152 1074 Y CA 1.900 59.822 58.100 -0.296 0.000 1.136 1074 Y CB -0.129 38.322 38.460 -0.014 0.000 0.975 1074 Y HN -0.047 nan 8.280 nan 0.000 0.498 1075 K N -0.101 120.258 120.400 -0.068 0.000 2.057 1075 K HA -0.150 4.168 4.320 -0.003 0.000 0.207 1075 K C 2.137 178.682 176.600 -0.091 0.000 1.049 1075 K CA 1.918 58.124 56.287 -0.135 0.000 0.931 1075 K CB -0.309 32.168 32.500 -0.039 0.000 0.714 1075 K HN 0.375 nan 8.250 nan 0.000 0.440 1076 I N 1.277 121.807 120.570 -0.067 0.000 2.202 1076 I HA -0.287 3.881 4.170 -0.003 0.000 0.242 1076 I C 2.220 178.307 176.117 -0.051 0.000 1.091 1076 I CA 1.403 62.667 61.300 -0.060 0.000 1.368 1076 I CB -0.180 37.779 38.000 -0.068 0.000 1.058 1076 I HN 0.205 nan 8.210 nan 0.000 0.410 1077 Q N -0.193 119.574 119.800 -0.054 0.000 2.378 1077 Q HA -0.047 4.292 4.340 -0.003 0.000 0.205 1077 Q C 2.201 178.093 176.000 -0.181 0.000 0.954 1077 Q CA 0.890 56.673 55.803 -0.033 0.000 0.901 1077 Q CB 0.105 28.939 28.738 0.161 0.000 0.981 1077 Q HN 0.385 nan 8.270 nan 0.000 0.483 1078 S N -0.047 115.564 115.700 -0.150 0.000 2.470 1078 S HA -0.045 4.424 4.470 -0.003 0.000 0.225 1078 S C 0.231 174.692 174.600 -0.231 0.000 1.006 1078 S CA -0.083 57.972 58.200 -0.241 0.000 0.934 1078 S CB -0.082 62.955 63.200 -0.273 0.000 0.778 1078 S HN 0.370 nan 8.310 nan 0.000 0.517 1079 Y N 3.671 123.827 120.300 -0.240 0.000 2.610 1079 Y HA 0.298 4.845 4.550 -0.004 0.000 0.332 1079 Y C 0.270 175.981 175.900 -0.315 0.000 1.201 1079 Y CA -0.071 57.883 58.100 -0.242 0.000 1.465 1079 Y CB 0.319 38.663 38.460 -0.193 0.000 1.283 1079 Y HN 0.142 nan 8.280 nan 0.000 0.563 1080 S N 3.399 118.186 115.700 -1.522 0.000 2.552 1080 S HA 0.278 4.746 4.470 -0.003 0.000 0.272 1080 S C -0.304 173.530 174.600 -1.276 0.000 1.150 1080 S CA -1.014 56.394 58.200 -1.321 0.000 0.849 1080 S CB 1.573 63.840 63.200 -1.555 0.000 1.113 1080 S HN 0.634 nan 8.310 nan 0.000 0.458 1081 E N 0.237 119.944 120.200 -0.822 0.000 2.216 1081 E HA 0.070 4.419 4.350 -0.003 0.000 0.192 1081 E C 0.413 176.798 176.600 -0.359 0.000 0.988 1081 E CA 0.981 57.123 56.400 -0.431 0.000 0.834 1081 E CB -0.284 29.315 29.700 -0.169 0.000 0.772 1081 E HN 0.797 nan 8.360 nan 0.000 0.479 1082 Y N -0.089 120.075 120.300 -0.227 0.000 2.316 1082 Y HA 0.518 5.065 4.550 -0.004 0.000 0.324 1082 Y C 0.499 176.266 175.900 -0.221 0.000 1.267 1082 Y CA -1.336 56.645 58.100 -0.199 0.000 1.311 1082 Y CB 0.108 38.466 38.460 -0.169 0.000 1.267 1082 Y HN -0.303 nan 8.280 nan 0.000 0.516 1083 L N 1.948 123.199 121.223 0.048 0.000 2.469 1083 L HA 0.472 4.810 4.340 -0.003 0.000 0.253 1083 L C 0.082 177.006 176.870 0.090 0.000 1.143 1083 L CA -0.774 54.060 54.840 -0.011 0.000 0.804 1083 L CB 0.677 42.694 42.059 -0.069 0.000 1.214 1083 L HN 0.699 nan 8.230 nan 0.000 0.476 1084 K N -0.598 119.816 120.400 0.025 0.000 2.352 1084 K HA 0.416 4.734 4.320 -0.003 0.000 0.240 1084 K C -1.401 175.152 176.600 -0.078 0.000 1.017 1084 K CA -0.911 55.354 56.287 -0.037 0.000 0.851 1084 K CB 1.487 33.919 32.500 -0.113 0.000 1.261 1084 K HN 0.613 nan 8.250 nan 0.000 0.451 1085 D N -0.763 119.561 120.400 -0.128 0.000 2.487 1085 D HA 0.058 4.696 4.640 -0.003 0.000 0.262 1085 D C 0.676 176.907 176.300 -0.114 0.000 1.130 1085 D CA -0.655 53.288 54.000 -0.096 0.000 1.038 1085 D CB 0.202 40.977 40.800 -0.043 0.000 1.142 1085 D HN 0.428 nan 8.370 nan 0.000 0.575 1086 F N -0.429 119.340 119.950 -0.302 0.000 2.147 1086 F HA -0.117 4.409 4.527 -0.003 0.000 0.301 1086 F C 1.339 176.903 175.800 -0.393 0.000 1.084 1086 F CA 1.396 59.123 58.000 -0.455 0.000 1.268 1086 F CB -0.070 38.418 39.000 -0.853 0.000 1.009 1086 F HN 0.410 nan 8.300 nan 0.000 0.486 1087 W N -0.479 120.881 121.300 0.101 0.000 2.905 1087 W HA 0.258 4.915 4.660 -0.004 0.000 0.251 1087 W C 1.850 178.302 176.519 -0.111 0.000 1.305 1087 W CA 0.497 57.862 57.345 0.034 0.000 1.465 1087 W CB -0.193 29.322 29.460 0.092 0.000 1.122 1087 W HN 0.203 nan 8.180 nan 0.000 0.659 1088 G N -0.277 108.322 108.800 -0.335 0.000 2.184 1088 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.206 1088 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.206 1088 G C 0.036 174.796 174.900 -0.234 0.000 0.995 1088 G CA -0.553 44.058 45.100 -0.814 0.000 0.651 1088 G HN 0.119 nan 8.290 nan 0.000 0.511 1089 N N 1.176 119.860 118.700 -0.026 0.000 2.476 1089 N HA 0.496 5.234 4.740 -0.003 0.000 0.275 1089 N C -2.753 172.679 175.510 -0.131 0.000 1.190 1089 N CA -1.454 51.572 53.050 -0.040 0.000 0.977 1089 N CB 0.815 39.330 38.487 0.047 0.000 1.200 1089 N HN -0.013 nan 8.380 nan 0.000 0.515 1090 P HA -0.012 nan 4.420 nan 0.000 0.264 1090 P C -0.037 177.126 177.300 -0.229 0.000 1.193 1090 P CA -0.228 62.603 63.100 -0.447 0.000 0.763 1090 P CB 0.389 31.554 31.700 -0.891 0.000 0.810 1091 L N 4.958 126.076 121.223 -0.176 0.000 2.453 1091 L HA 0.180 4.518 4.340 -0.003 0.000 0.272 1091 L C -0.062 176.710 176.870 -0.164 0.000 1.182 1091 L CA 1.129 55.864 54.840 -0.176 0.000 0.858 1091 L CB -0.236 41.657 42.059 -0.276 0.000 1.120 1091 L HN 0.302 nan 8.230 nan 0.000 0.474 1092 M N 4.417 124.014 119.600 -0.004 0.000 2.598 1092 M HA 0.309 4.787 4.480 -0.003 0.000 0.317 1092 M C -0.855 175.400 176.300 -0.075 0.000 1.179 1092 M CA -0.443 54.828 55.300 -0.048 0.000 0.936 1092 M CB 1.617 34.217 32.600 0.000 0.000 1.713 1092 M HN 0.384 nan 8.290 nan 0.000 0.460 1093 Y N 1.449 121.739 120.300 -0.017 0.000 2.301 1093 Y HA 0.188 4.736 4.550 -0.004 0.000 0.325 1093 Y C 0.807 176.689 175.900 -0.030 0.000 1.203 1093 Y CA 0.298 58.386 58.100 -0.021 0.000 1.255 1093 Y CB 0.644 39.088 38.460 -0.026 0.000 1.232 1093 Y HN 0.739 nan 8.280 nan 0.000 0.501 1094 N N 1.443 120.238 118.700 0.159 0.000 2.758 1094 N HA -0.243 4.495 4.740 -0.003 0.000 0.248 1094 N C -0.850 174.648 175.510 -0.020 0.000 1.076 1094 N CA 0.822 53.916 53.050 0.075 0.000 0.696 1094 N CB -0.895 37.640 38.487 0.079 0.000 0.979 1094 N HN 0.596 nan 8.380 nan 0.000 0.550 1095 K N 0.881 121.196 120.400 -0.141 0.000 2.471 1095 K HA 0.227 4.545 4.320 -0.003 0.000 0.252 1095 K C -0.548 175.729 176.600 -0.539 0.000 0.938 1095 K CA -0.533 55.543 56.287 -0.352 0.000 0.796 1095 K CB 1.544 33.744 32.500 -0.500 0.000 1.161 1095 K HN 0.037 nan 8.250 nan 0.000 0.425 1096 E N 3.186 123.190 120.200 -0.326 0.000 2.415 1096 E HA 0.006 4.354 4.350 -0.003 0.000 0.263 1096 E C -0.982 175.403 176.600 -0.358 0.000 0.995 1096 E CA 0.541 56.809 56.400 -0.220 0.000 0.915 1096 E CB 0.431 30.060 29.700 -0.118 0.000 0.951 1096 E HN 0.389 nan 8.360 nan 0.000 0.449 1097 Y N 1.056 121.373 120.300 0.029 0.000 2.492 1097 Y HA 0.271 4.819 4.550 -0.004 0.000 0.346 1097 Y C -0.654 175.296 175.900 0.083 0.000 0.997 1097 Y CA -1.181 56.988 58.100 0.114 0.000 1.025 1097 Y CB 1.361 40.031 38.460 0.351 0.000 1.263 1097 Y HN 0.439 nan 8.280 nan 0.000 0.454 1098 Y N 2.016 122.571 120.300 0.424 0.000 2.354 1098 Y HA 0.507 5.055 4.550 -0.003 0.000 0.322 1098 Y C 0.117 176.135 175.900 0.196 0.000 1.253 1098 Y CA -0.741 57.551 58.100 0.319 0.000 1.272 1098 Y CB 1.093 39.672 38.460 0.197 0.000 1.255 1098 Y HN 0.343 nan 8.280 nan 0.000 0.500 1099 M N 2.788 122.542 119.600 0.257 0.000 2.300 1099 M HA 0.303 4.781 4.480 -0.003 0.000 0.348 1099 M C -1.356 175.036 176.300 0.154 0.000 1.151 1099 M CA -0.529 54.738 55.300 -0.054 0.000 1.046 1099 M CB 1.324 33.618 32.600 -0.510 0.000 1.647 1099 M HN 0.559 nan 8.290 nan 0.000 0.451 1100 F N 3.269 123.201 119.950 -0.030 0.000 2.522 1100 F HA 0.501 5.027 4.527 -0.003 0.000 0.324 1100 F C -0.676 175.165 175.800 0.068 0.000 1.077 1100 F CA -0.742 57.266 58.000 0.013 0.000 0.944 1100 F CB 1.188 40.163 39.000 -0.042 0.000 1.175 1100 F HN 0.491 nan 8.300 nan 0.000 0.468 1101 N N 4.070 122.219 118.700 -0.918 0.000 2.491 1101 N HA 0.328 5.066 4.740 -0.003 0.000 0.274 1101 N C 0.051 174.843 175.510 -1.197 0.000 1.023 1101 N CA 0.112 52.538 53.050 -1.041 0.000 0.902 1101 N CB 1.989 39.899 38.487 -0.962 0.000 1.267 1101 N HN 0.865 nan 8.380 nan 0.000 0.503 1102 A N 2.578 124.881 122.820 -0.862 0.000 2.125 1102 A HA 0.017 4.336 4.320 -0.003 0.000 0.219 1102 A C 1.632 179.011 177.584 -0.343 0.000 1.156 1102 A CA 1.626 53.377 52.037 -0.476 0.000 0.671 1102 A CB -0.275 18.642 19.000 -0.139 0.000 0.794 1102 A HN 0.684 nan 8.150 nan 0.000 0.459 1103 G N -1.242 107.316 108.800 -0.403 0.000 2.939 1103 G HA2 0.202 4.160 3.960 -0.003 0.000 0.210 1103 G HA3 0.202 4.160 3.960 -0.003 0.000 0.210 1103 G C 0.101 174.864 174.900 -0.229 0.000 1.160 1103 G CA 0.142 45.087 45.100 -0.260 0.000 0.770 1103 G HN 0.527 nan 8.290 nan 0.000 0.543 1104 N N -0.274 118.240 118.700 -0.311 0.000 2.697 1104 N HA 0.210 4.948 4.740 -0.003 0.000 0.253 1104 N C 0.820 176.183 175.510 -0.244 0.000 1.604 1104 N CA -0.389 52.529 53.050 -0.220 0.000 0.772 1104 N CB 1.270 39.642 38.487 -0.191 0.000 1.267 1104 N HN -0.033 nan 8.380 nan 0.000 0.510 1105 K N 0.227 120.515 120.400 -0.188 0.000 2.049 1105 K HA -0.194 4.124 4.320 -0.003 0.000 0.219 1105 K C 0.567 177.210 176.600 0.072 0.000 1.056 1105 K CA 1.419 57.677 56.287 -0.049 0.000 0.946 1105 K CB -0.057 32.520 32.500 0.128 0.000 0.723 1105 K HN 0.330 nan 8.250 nan 0.000 0.453 1106 N N 0.567 119.307 118.700 0.067 0.000 2.421 1106 N HA 0.013 4.751 4.740 -0.003 0.000 0.201 1106 N C -0.593 174.977 175.510 0.100 0.000 1.198 1106 N CA 0.299 53.413 53.050 0.107 0.000 0.838 1106 N CB 0.414 38.956 38.487 0.092 0.000 1.011 1106 N HN 0.034 nan 8.380 nan 0.000 0.463 1107 S N 0.328 116.055 115.700 0.044 0.000 2.593 1107 S HA 0.620 5.088 4.470 -0.003 0.000 0.297 1107 S C -0.560 174.117 174.600 0.128 0.000 1.112 1107 S CA -0.730 57.482 58.200 0.019 0.000 1.043 1107 S CB 1.273 64.437 63.200 -0.060 0.000 1.054 1107 S HN 0.383 nan 8.310 nan 0.000 0.516 1108 Y N -1.040 119.270 120.300 0.017 0.000 2.597 1108 Y HA 0.760 5.308 4.550 -0.003 0.000 0.340 1108 Y C -1.444 174.468 175.900 0.020 0.000 1.097 1108 Y CA -1.489 56.636 58.100 0.042 0.000 1.037 1108 Y CB 0.431 38.925 38.460 0.056 0.000 1.305 1108 Y HN 0.491 nan 8.280 nan 0.000 0.463 1109 I N 2.824 123.507 120.570 0.189 0.000 2.440 1109 I HA 0.466 4.635 4.170 -0.003 0.000 0.294 1109 I C -0.340 175.834 176.117 0.096 0.000 0.995 1109 I CA -0.726 60.575 61.300 0.001 0.000 1.306 1109 I CB 1.597 39.467 38.000 -0.217 0.000 1.407 1109 I HN 0.642 nan 8.210 nan 0.000 0.501 1110 K N 5.597 125.979 120.400 -0.029 0.000 2.535 1110 K HA 0.360 4.678 4.320 -0.003 0.000 0.251 1110 K C -1.478 175.094 176.600 -0.047 0.000 0.942 1110 K CA -0.913 55.377 56.287 0.005 0.000 0.798 1110 K CB 2.090 34.625 32.500 0.058 0.000 1.267 1110 K HN 0.457 nan 8.250 nan 0.000 0.434 1111 L N 4.139 125.326 121.223 -0.060 0.000 2.500 1111 L HA 0.162 4.500 4.340 -0.003 0.000 0.272 1111 L C -0.055 176.842 176.870 0.046 0.000 1.149 1111 L CA 0.660 55.504 54.840 0.008 0.000 0.897 1111 L CB 0.162 42.266 42.059 0.075 0.000 1.178 1111 L HN 0.584 nan 8.230 nan 0.000 0.473 1112 K N 4.486 124.929 120.400 0.072 0.000 2.451 1112 K HA -0.047 4.272 4.320 -0.003 0.000 0.280 1112 K C 1.150 177.796 176.600 0.076 0.000 1.020 1112 K CA 0.230 56.558 56.287 0.067 0.000 1.008 1112 K CB 0.677 33.240 32.500 0.106 0.000 0.917 1112 K HN 0.797 nan 8.250 nan 0.000 0.478 1113 K N 2.806 123.237 120.400 0.051 0.000 2.034 1113 K HA -0.237 4.081 4.320 -0.003 0.000 0.214 1113 K C 0.797 177.438 176.600 0.069 0.000 1.051 1113 K CA 2.584 58.901 56.287 0.050 0.000 0.931 1113 K CB -0.022 32.496 32.500 0.031 0.000 0.715 1113 K HN 0.804 nan 8.250 nan 0.000 0.446 1114 D N -0.786 119.653 120.400 0.065 0.000 2.339 1114 D HA -0.001 4.637 4.640 -0.003 0.000 0.217 1114 D C -0.355 175.995 176.300 0.083 0.000 1.050 1114 D CA -0.270 53.771 54.000 0.069 0.000 0.856 1114 D CB 0.447 41.278 40.800 0.052 0.000 0.922 1114 D HN 0.117 nan 8.370 nan 0.000 0.518 1115 S N -0.904 114.857 115.700 0.100 0.000 2.564 1115 S HA 0.462 4.930 4.470 -0.003 0.000 0.274 1115 S C -2.741 171.933 174.600 0.123 0.000 1.124 1115 S CA -1.377 56.886 58.200 0.106 0.000 0.869 1115 S CB 1.906 65.160 63.200 0.090 0.000 1.105 1115 S HN -0.105 nan 8.310 nan 0.000 0.472 1116 P HA 0.157 nan 4.420 nan 0.000 0.261 1116 P C 0.014 177.331 177.300 0.028 0.000 1.650 1116 P CA 0.094 63.175 63.100 -0.031 0.000 0.846 1116 P CB -0.715 30.802 31.700 -0.305 0.000 1.758 1117 V N -3.553 116.445 119.914 0.140 0.000 3.102 1117 V HA 0.956 5.074 4.120 -0.003 0.000 0.312 1117 V C -0.182 176.048 176.094 0.227 0.000 1.135 1117 V CA -1.148 61.277 62.300 0.208 0.000 1.022 1117 V CB 1.854 33.812 31.823 0.225 0.000 1.056 1117 V HN 0.082 nan 8.190 nan 0.000 0.436 1118 G N 1.667 110.645 108.800 0.295 0.000 2.384 1118 G HA2 0.613 4.572 3.960 -0.003 0.000 0.316 1118 G HA3 0.613 4.572 3.960 -0.003 0.000 0.316 1118 G C -0.385 174.609 174.900 0.157 0.000 1.160 1118 G CA -0.427 44.779 45.100 0.176 0.000 0.936 1118 G HN 1.047 nan 8.290 nan 0.000 0.455 1119 E N 1.891 122.080 120.200 -0.019 0.000 2.345 1119 E HA 0.437 4.786 4.350 -0.003 0.000 0.259 1119 E C -0.563 175.900 176.600 -0.228 0.000 1.117 1119 E CA -0.837 55.400 56.400 -0.272 0.000 0.913 1119 E CB 1.515 31.027 29.700 -0.312 0.000 1.057 1119 E HN 0.114 nan 8.360 nan 0.000 0.432 1120 I N 2.533 122.928 120.570 -0.293 0.000 2.330 1120 I HA 0.266 4.434 4.170 -0.003 0.000 0.289 1120 I C -0.124 175.787 176.117 -0.345 0.000 1.001 1120 I CA -0.528 60.627 61.300 -0.241 0.000 1.193 1120 I CB 0.359 38.298 38.000 -0.101 0.000 1.345 1120 I HN 0.542 nan 8.210 nan 0.000 0.461 1121 L N 4.727 125.592 121.223 -0.597 0.000 2.331 1121 L HA 0.559 4.897 4.340 -0.003 0.000 0.268 1121 L C 0.533 177.073 176.870 -0.550 0.000 1.015 1121 L CA -0.786 53.674 54.840 -0.633 0.000 0.807 1121 L CB 1.570 43.139 42.059 -0.817 0.000 1.293 1121 L HN 0.423 nan 8.230 nan 0.000 0.451 1122 T N 0.690 115.115 114.554 -0.215 0.000 2.817 1122 T HA 0.299 4.647 4.350 -0.003 0.000 0.293 1122 T C 0.177 175.037 174.700 0.267 0.000 0.964 1122 T CA -0.544 61.562 62.100 0.010 0.000 1.085 1122 T CB 0.538 69.422 68.868 0.027 0.000 0.921 1122 T HN 0.379 nan 8.240 nan 0.000 0.502 1123 R N 2.062 122.769 120.500 0.346 0.000 2.623 1123 R HA 0.227 4.565 4.340 -0.003 0.000 0.271 1123 R C 0.889 177.309 176.300 0.200 0.000 1.043 1123 R CA -0.266 56.041 56.100 0.344 0.000 1.083 1123 R CB 0.300 30.734 30.300 0.222 0.000 0.974 1123 R HN 0.765 nan 8.270 nan 0.000 0.436 1124 S N 2.248 118.031 115.700 0.138 0.000 2.603 1124 S HA 0.234 4.702 4.470 -0.003 0.000 0.268 1124 S C -0.042 174.605 174.600 0.079 0.000 1.317 1124 S CA -0.791 57.463 58.200 0.089 0.000 1.012 1124 S CB 1.163 64.398 63.200 0.058 0.000 0.926 1124 S HN 0.635 nan 8.310 nan 0.000 0.539 1125 K N 0.043 120.466 120.400 0.040 0.000 2.316 1125 K HA 0.378 4.696 4.320 -0.003 0.000 0.234 1125 K C -0.988 175.555 176.600 -0.094 0.000 1.054 1125 K CA -1.067 55.219 56.287 -0.002 0.000 0.879 1125 K CB 0.422 32.925 32.500 0.005 0.000 1.252 1125 K HN 0.575 nan 8.250 nan 0.000 0.471 1126 Y N 2.088 122.125 120.300 -0.439 0.000 2.745 1126 Y HA -0.060 4.488 4.550 -0.003 0.000 0.335 1126 Y C 0.338 176.110 175.900 -0.213 0.000 1.212 1126 Y CA 0.350 58.127 58.100 -0.538 0.000 1.535 1126 Y CB 0.056 38.004 38.460 -0.854 0.000 1.220 1126 Y HN 0.625 nan 8.280 nan 0.000 0.531 1127 N N 3.929 122.283 118.700 -0.576 0.000 2.368 1127 N HA -0.064 4.674 4.740 -0.003 0.000 0.176 1127 N C 0.189 175.317 175.510 -0.637 0.000 1.021 1127 N CA 0.527 53.289 53.050 -0.479 0.000 0.888 1127 N CB 0.076 38.422 38.487 -0.235 0.000 0.995 1127 N HN 0.760 nan 8.380 nan 0.000 0.437 1128 Q N 0.896 120.131 119.800 -0.942 0.000 2.700 1128 Q HA -0.013 4.325 4.340 -0.003 0.000 0.232 1128 Q C 0.610 176.317 176.000 -0.489 0.000 1.110 1128 Q CA 0.246 55.700 55.803 -0.583 0.000 1.026 1128 Q CB 0.232 28.810 28.738 -0.266 0.000 1.311 1128 Q HN 0.328 nan 8.270 nan 0.000 0.583 1129 N N -0.930 117.695 118.700 -0.126 0.000 2.276 1129 N HA 0.005 4.743 4.740 -0.003 0.000 0.212 1129 N C -0.329 175.230 175.510 0.083 0.000 1.127 1129 N CA -0.121 52.916 53.050 -0.022 0.000 0.834 1129 N CB 0.524 38.990 38.487 -0.035 0.000 1.014 1129 N HN 0.237 nan 8.380 nan 0.000 0.491 1130 S N 0.717 116.560 115.700 0.239 0.000 2.568 1130 S HA 0.045 4.513 4.470 -0.003 0.000 0.282 1130 S C 1.188 175.812 174.600 0.039 0.000 1.338 1130 S CA -0.408 57.870 58.200 0.130 0.000 1.045 1130 S CB 0.641 63.934 63.200 0.155 0.000 0.873 1130 S HN 0.580 nan 8.310 nan 0.000 0.516 1131 K N 2.745 123.044 120.400 -0.167 0.000 2.379 1131 K HA 0.093 4.411 4.320 -0.003 0.000 0.194 1131 K C 0.878 177.349 176.600 -0.215 0.000 1.031 1131 K CA 0.598 56.756 56.287 -0.215 0.000 1.037 1131 K CB -0.158 32.142 32.500 -0.334 0.000 0.824 1131 K HN 0.719 nan 8.250 nan 0.000 0.516 1132 Y N 2.195 122.454 120.300 -0.068 0.000 2.517 1132 Y HA 0.223 4.771 4.550 -0.003 0.000 0.281 1132 Y C 1.141 176.919 175.900 -0.202 0.000 1.125 1132 Y CA -0.613 57.414 58.100 -0.122 0.000 1.283 1132 Y CB 0.282 38.654 38.460 -0.147 0.000 1.042 1132 Y HN 0.110 nan 8.280 nan 0.000 0.547 1133 I N -2.002 118.491 120.570 -0.128 0.000 2.828 1133 I HA 0.527 4.695 4.170 -0.003 0.000 0.302 1133 I C -1.148 174.805 176.117 -0.273 0.000 1.101 1133 I CA -1.099 60.029 61.300 -0.286 0.000 1.031 1133 I CB 2.461 40.093 38.000 -0.614 0.000 1.231 1133 I HN -0.121 nan 8.210 nan 0.000 0.427 1134 N N 3.732 122.381 118.700 -0.086 0.000 2.516 1134 N HA 0.450 5.188 4.740 -0.003 0.000 0.268 1134 N C -2.125 173.492 175.510 0.178 0.000 1.096 1134 N CA -0.190 52.859 53.050 -0.002 0.000 0.954 1134 N CB 2.693 41.229 38.487 0.080 0.000 1.676 1134 N HN 0.862 nan 8.380 nan 0.000 0.490 1135 Y N -0.083 120.347 120.300 0.216 0.000 2.750 1135 Y HA 0.618 5.167 4.550 -0.003 0.000 0.335 1135 Y C -1.569 174.479 175.900 0.246 0.000 1.252 1135 Y CA -1.099 57.159 58.100 0.262 0.000 1.064 1135 Y CB 0.708 39.380 38.460 0.354 0.000 1.321 1135 Y HN 0.245 nan 8.280 nan 0.000 0.451 1136 R N 1.378 122.178 120.500 0.500 0.000 2.514 1136 R HA 0.317 4.655 4.340 -0.003 0.000 0.301 1136 R C -1.353 175.193 176.300 0.410 0.000 0.962 1136 R CA -0.898 55.399 56.100 0.328 0.000 0.882 1136 R CB 1.494 31.924 30.300 0.218 0.000 1.143 1136 R HN 0.795 nan 8.270 nan 0.000 0.452 1137 D N 2.370 122.940 120.400 0.283 0.000 2.443 1137 D HA 0.016 4.654 4.640 -0.003 0.000 0.239 1137 D C 1.208 177.468 176.300 -0.066 0.000 1.136 1137 D CA 0.261 54.364 54.000 0.171 0.000 0.879 1137 D CB 1.108 41.952 40.800 0.073 0.000 1.195 1137 D HN 0.375 nan 8.370 nan 0.000 0.443 1138 L N 0.972 122.029 121.223 -0.276 0.000 2.642 1138 L HA 0.053 4.392 4.340 -0.003 0.000 0.233 1138 L C 0.412 177.014 176.870 -0.446 0.000 1.077 1138 L CA 0.073 54.623 54.840 -0.484 0.000 0.879 1138 L CB 0.177 41.696 42.059 -0.900 0.000 1.151 1138 L HN 0.309 nan 8.230 nan 0.000 0.495 1139 Y N 1.937 121.969 120.300 -0.447 0.000 2.830 1139 Y HA 0.465 5.013 4.550 -0.003 0.000 0.371 1139 Y C 0.073 175.410 175.900 -0.939 0.000 1.246 1139 Y CA -0.958 56.565 58.100 -0.963 0.000 1.890 1139 Y CB -0.384 37.824 38.460 -0.421 0.000 1.995 1139 Y HN 0.017 nan 8.280 nan 0.000 0.430 1140 I N -0.819 119.311 120.570 -0.734 0.000 3.095 1140 I HA 0.831 4.999 4.170 -0.003 0.000 0.310 1140 I C 0.297 176.253 176.117 -0.268 0.000 1.196 1140 I CA -0.337 60.670 61.300 -0.488 0.000 0.985 1140 I CB 2.219 39.840 38.000 -0.631 0.000 1.250 1140 I HN 0.472 nan 8.210 nan 0.000 0.446 1141 G N 3.730 112.418 108.800 -0.187 0.000 2.760 1141 G HA2 -0.123 3.836 3.960 -0.003 0.000 0.246 1141 G HA3 -0.123 3.836 3.960 -0.003 0.000 0.246 1141 G C -0.805 174.248 174.900 0.254 0.000 1.359 1141 G CA -0.580 44.627 45.100 0.179 0.000 0.861 1141 G HN 0.737 nan 8.290 nan 0.000 0.541 1142 E N 0.447 120.723 120.200 0.127 0.000 2.438 1142 E HA 0.221 4.570 4.350 -0.003 0.000 0.261 1142 E C 0.512 177.085 176.600 -0.044 0.000 1.103 1142 E CA 0.381 56.723 56.400 -0.097 0.000 0.959 1142 E CB 0.331 29.621 29.700 -0.684 0.000 0.958 1142 E HN 0.497 nan 8.360 nan 0.000 0.447 1143 K N 1.846 122.179 120.400 -0.112 0.000 2.316 1143 K HA 0.308 4.626 4.320 -0.003 0.000 0.267 1143 K C -0.559 175.988 176.600 -0.089 0.000 1.025 1143 K CA -0.290 55.906 56.287 -0.150 0.000 0.896 1143 K CB 0.484 32.937 32.500 -0.079 0.000 1.124 1143 K HN 0.193 nan 8.250 nan 0.000 0.451 1144 F N 2.359 122.347 119.950 0.065 0.000 2.380 1144 F HA 0.525 5.050 4.527 -0.003 0.000 0.321 1144 F C 0.377 176.230 175.800 0.087 0.000 1.103 1144 F CA -0.968 57.109 58.000 0.129 0.000 1.067 1144 F CB 0.866 39.992 39.000 0.210 0.000 1.265 1144 F HN 0.327 nan 8.300 nan 0.000 0.517 1145 I N 2.276 122.981 120.570 0.225 0.000 2.586 1145 I HA 0.370 4.538 4.170 -0.003 0.000 0.288 1145 I C -1.348 174.842 176.117 0.123 0.000 1.147 1145 I CA -0.457 60.907 61.300 0.107 0.000 1.047 1145 I CB 1.143 39.128 38.000 -0.024 0.000 1.244 1145 I HN 0.391 nan 8.210 nan 0.000 0.429 1146 I N 7.327 127.961 120.570 0.107 0.000 2.396 1146 I HA 0.322 4.490 4.170 -0.003 0.000 0.289 1146 I C -0.028 176.237 176.117 0.246 0.000 1.056 1146 I CA -0.512 60.842 61.300 0.089 0.000 1.365 1146 I CB 0.299 38.214 38.000 -0.141 0.000 1.407 1146 I HN 0.382 nan 8.210 nan 0.000 0.509 1147 R N 5.822 126.485 120.500 0.273 0.000 2.532 1147 R HA 0.452 4.790 4.340 -0.003 0.000 0.295 1147 R C -0.218 176.200 176.300 0.197 0.000 0.968 1147 R CA -0.967 55.292 56.100 0.265 0.000 0.916 1147 R CB 1.492 31.947 30.300 0.258 0.000 1.124 1147 R HN 0.591 nan 8.270 nan 0.000 0.463 1148 R N 1.523 121.943 120.500 -0.133 0.000 2.438 1148 R HA 0.006 4.344 4.340 -0.003 0.000 0.287 1148 R C 0.894 177.056 176.300 -0.230 0.000 1.077 1148 R CA -0.055 55.776 56.100 -0.449 0.000 1.034 1148 R CB 0.704 30.506 30.300 -0.829 0.000 0.993 1148 R HN 0.422 nan 8.270 nan 0.000 0.459 1149 K N 1.848 122.079 120.400 -0.281 0.000 2.137 1149 K HA 0.053 4.371 4.320 -0.003 0.000 0.202 1149 K C 0.588 177.103 176.600 -0.143 0.000 1.052 1149 K CA 0.910 56.977 56.287 -0.368 0.000 0.961 1149 K CB 0.079 32.322 32.500 -0.429 0.000 0.741 1149 K HN 0.401 nan 8.250 nan 0.000 0.452 1150 S N 0.893 116.531 115.700 -0.102 0.000 2.719 1150 S HA 0.233 4.701 4.470 -0.003 0.000 0.285 1150 S C -1.228 173.340 174.600 -0.055 0.000 1.137 1150 S CA -0.234 57.936 58.200 -0.050 0.000 1.012 1150 S CB 0.077 63.265 63.200 -0.020 0.000 1.134 1150 S HN 0.612 nan 8.310 nan 0.000 0.544 1151 N N 1.412 120.094 118.700 -0.029 0.000 2.696 1151 N HA -0.187 4.552 4.740 -0.003 0.000 0.306 1151 N C -0.231 175.260 175.510 -0.031 0.000 1.240 1151 N CA 1.076 54.111 53.050 -0.025 0.000 0.704 1151 N CB -1.490 36.980 38.487 -0.028 0.000 1.027 1151 N HN 0.632 nan 8.380 nan 0.000 0.544 1152 S N -0.872 114.821 115.700 -0.010 0.000 3.870 1152 S HA 0.250 4.719 4.470 -0.003 0.000 0.198 1152 S C 1.142 175.737 174.600 -0.008 0.000 1.336 1152 S CA 0.224 58.422 58.200 -0.004 0.000 1.049 1152 S CB -0.312 62.895 63.200 0.013 0.000 1.412 1152 S HN 0.987 nan 8.310 nan 0.000 0.448 1153 Q N 0.737 120.524 119.800 -0.022 0.000 2.294 1153 Q HA 0.581 4.919 4.340 -0.003 0.000 0.256 1153 Q C 0.626 176.616 176.000 -0.016 0.000 0.907 1153 Q CA 0.085 55.877 55.803 -0.018 0.000 0.954 1153 Q CB -1.206 27.517 28.738 -0.025 0.000 1.102 1153 Q HN 0.824 nan 8.270 nan 0.000 0.429 1154 S N -1.031 114.664 115.700 -0.009 0.000 3.922 1154 S HA -0.172 4.296 4.470 -0.003 0.000 0.641 1154 S C 0.325 174.922 174.600 -0.006 0.000 1.746 1154 S CA 0.282 58.481 58.200 -0.002 0.000 1.907 1154 S CB -1.082 62.119 63.200 0.001 0.000 0.326 1154 S HN 1.466 nan 8.310 nan 0.000 1.786 1155 I N -1.552 119.023 120.570 0.007 0.000 2.934 1155 I HA 0.564 4.732 4.170 -0.003 0.000 0.312 1155 I C 0.599 176.730 176.117 0.022 0.000 1.342 1155 I CA -0.131 61.179 61.300 0.016 0.000 0.946 1155 I CB -0.463 37.559 38.000 0.037 0.000 2.034 1155 I HN 0.623 nan 8.210 nan 0.000 0.604 1156 N N 2.489 121.196 118.700 0.012 0.000 2.433 1156 N HA 0.194 4.933 4.740 -0.003 0.000 0.213 1156 N C 0.444 175.968 175.510 0.023 0.000 1.032 1156 N CA 0.930 53.989 53.050 0.014 0.000 1.047 1156 N CB 0.080 38.571 38.487 0.007 0.000 1.293 1156 N HN 0.577 nan 8.380 nan 0.000 0.524 1157 D N -2.658 117.757 120.400 0.025 0.000 2.738 1157 D HA 0.550 5.188 4.640 -0.003 0.000 0.308 1157 D C -2.034 174.303 176.300 0.062 0.000 1.311 1157 D CA -0.176 53.854 54.000 0.049 0.000 0.799 1157 D CB 2.436 43.249 40.800 0.022 0.000 1.332 1157 D HN 0.352 nan 8.370 nan 0.000 0.441 1158 D N -0.592 119.870 120.400 0.103 0.000 3.302 1158 D HA 0.167 4.805 4.640 -0.003 0.000 0.302 1158 D C -1.065 175.340 176.300 0.175 0.000 1.026 1158 D CA -0.450 53.622 54.000 0.120 0.000 0.712 1158 D CB 0.536 41.401 40.800 0.109 0.000 1.610 1158 D HN 0.244 nan 8.370 nan 0.000 0.502 1159 I N 0.683 121.309 120.570 0.093 0.000 2.519 1159 I HA 0.307 4.475 4.170 -0.003 0.000 0.287 1159 I C 0.458 176.602 176.117 0.045 0.000 1.047 1159 I CA -0.757 60.538 61.300 -0.009 0.000 1.381 1159 I CB 0.944 38.895 38.000 -0.083 0.000 1.417 1159 I HN 0.027 nan 8.210 nan 0.000 0.540 1160 V N 6.701 126.499 119.914 -0.194 0.000 2.406 1160 V HA 0.348 4.466 4.120 -0.003 0.000 0.272 1160 V C 0.275 176.314 176.094 -0.091 0.000 1.043 1160 V CA -0.572 61.533 62.300 -0.326 0.000 0.915 1160 V CB 0.631 32.080 31.823 -0.624 0.000 0.988 1160 V HN 0.678 nan 8.190 nan 0.000 0.466 1161 R N 3.290 123.778 120.500 -0.020 0.000 2.604 1161 R HA 0.494 4.832 4.340 -0.003 0.000 0.287 1161 R C -0.373 175.869 176.300 -0.098 0.000 0.970 1161 R CA -1.039 55.043 56.100 -0.030 0.000 0.946 1161 R CB 1.815 32.116 30.300 0.002 0.000 1.127 1161 R HN 0.602 nan 8.270 nan 0.000 0.473 1162 K N 2.541 122.862 120.400 -0.132 0.000 2.550 1162 K HA -0.144 4.175 4.320 -0.003 0.000 0.280 1162 K C 0.032 176.521 176.600 -0.184 0.000 0.987 1162 K CA 0.553 56.737 56.287 -0.171 0.000 1.048 1162 K CB 0.221 32.611 32.500 -0.184 0.000 0.879 1162 K HN 0.638 nan 8.250 nan 0.000 0.491 1163 E N -0.301 119.758 120.200 -0.236 0.000 3.927 1163 E HA -0.188 4.160 4.350 -0.003 0.000 0.330 1163 E C -0.691 175.650 176.600 -0.432 0.000 0.751 1163 E CA 1.002 57.215 56.400 -0.312 0.000 1.254 1163 E CB -1.221 28.333 29.700 -0.242 0.000 1.643 1163 E HN 0.684 nan 8.360 nan 0.000 0.430 1164 D N -0.137 120.084 120.400 -0.297 0.000 2.362 1164 D HA 0.200 4.838 4.640 -0.003 0.000 0.242 1164 D C 0.223 176.320 176.300 -0.338 0.000 1.132 1164 D CA 0.246 54.102 54.000 -0.240 0.000 0.907 1164 D CB 0.231 41.028 40.800 -0.006 0.000 1.195 1164 D HN 0.011 nan 8.370 nan 0.000 0.429 1165 Y N 0.943 121.216 120.300 -0.044 0.000 2.328 1165 Y HA 0.359 4.908 4.550 -0.003 0.000 0.337 1165 Y C 0.784 176.600 175.900 -0.141 0.000 1.008 1165 Y CA -0.676 57.364 58.100 -0.100 0.000 1.129 1165 Y CB 0.803 39.195 38.460 -0.112 0.000 1.185 1165 Y HN 0.186 nan 8.280 nan 0.000 0.476 1166 I N -1.020 119.543 120.570 -0.012 0.000 3.322 1166 I HA 0.623 4.791 4.170 -0.003 0.000 0.313 1166 I C -1.875 174.138 176.117 -0.173 0.000 1.129 1166 I CA -1.428 59.825 61.300 -0.079 0.000 0.963 1166 I CB 2.736 40.777 38.000 0.068 0.000 1.273 1166 I HN 0.395 nan 8.210 nan 0.000 0.473 1167 Y N 1.484 121.831 120.300 0.078 0.000 2.409 1167 Y HA 0.589 5.137 4.550 -0.003 0.000 0.343 1167 Y C -0.791 175.137 175.900 0.047 0.000 0.973 1167 Y CA -1.056 57.069 58.100 0.041 0.000 1.064 1167 Y CB 2.379 40.862 38.460 0.038 0.000 1.207 1167 Y HN 0.382 nan 8.280 nan 0.000 0.452 1168 L N 4.956 126.305 121.223 0.210 0.000 2.283 1168 L HA 0.482 4.820 4.340 -0.003 0.000 0.281 1168 L C -1.063 175.971 176.870 0.273 0.000 1.033 1168 L CA -0.116 54.853 54.840 0.216 0.000 0.848 1168 L CB -0.244 41.923 42.059 0.179 0.000 1.226 1168 L HN 0.571 nan 8.230 nan 0.000 0.429 1169 D N 4.018 124.566 120.400 0.247 0.000 2.592 1169 D HA 0.708 5.346 4.640 -0.003 0.000 0.259 1169 D C -0.783 175.653 176.300 0.227 0.000 1.144 1169 D CA 0.227 54.325 54.000 0.163 0.000 1.080 1169 D CB 1.486 42.247 40.800 -0.064 0.000 1.225 1169 D HN 0.338 nan 8.370 nan 0.000 0.619 1170 F N -2.072 117.687 119.950 -0.317 0.000 2.799 1170 F HA 0.560 5.085 4.527 -0.003 0.000 0.316 1170 F C -2.119 173.309 175.800 -0.619 0.000 1.155 1170 F CA -1.396 56.264 58.000 -0.567 0.000 0.916 1170 F CB 0.494 38.988 39.000 -0.844 0.000 1.294 1170 F HN 0.031 nan 8.300 nan 0.000 0.447 1171 F N 2.269 122.067 119.950 -0.254 0.000 2.410 1171 F HA 0.436 4.961 4.527 -0.003 0.000 0.349 1171 F C 0.175 175.724 175.800 -0.418 0.000 1.117 1171 F CA -0.596 57.187 58.000 -0.363 0.000 1.104 1171 F CB 1.209 40.090 39.000 -0.199 0.000 1.122 1171 F HN 0.564 nan 8.300 nan 0.000 0.483 1172 N N 5.491 123.887 118.700 -0.507 0.000 2.621 1172 N HA 0.518 5.256 4.740 -0.003 0.000 0.237 1172 N C 0.094 175.374 175.510 -0.383 0.000 0.997 1172 N CA -0.004 52.677 53.050 -0.614 0.000 0.918 1172 N CB 0.144 37.744 38.487 -1.477 0.000 1.122 1172 N HN 0.739 nan 8.380 nan 0.000 0.510 1173 L N 1.060 122.165 121.223 -0.196 0.000 5.895 1173 L HA -0.443 3.895 4.340 -0.003 0.000 0.053 1173 L C 0.975 177.775 176.870 -0.116 0.000 2.741 1173 L CA 1.411 56.170 54.840 -0.135 0.000 1.500 1173 L CB -1.108 40.870 42.059 -0.135 0.000 2.928 1173 L HN 0.498 nan 8.230 nan 0.000 1.023 1174 N N 0.157 118.799 118.700 -0.097 0.000 2.336 1174 N HA 0.083 4.821 4.740 -0.003 0.000 0.189 1174 N C -0.031 175.468 175.510 -0.018 0.000 1.113 1174 N CA 0.475 53.482 53.050 -0.072 0.000 0.858 1174 N CB 0.332 38.787 38.487 -0.052 0.000 0.970 1174 N HN 0.345 nan 8.380 nan 0.000 0.471 1175 Q N -0.227 119.558 119.800 -0.025 0.000 2.297 1175 Q HA 0.287 4.625 4.340 -0.003 0.000 0.269 1175 Q C -1.048 174.987 176.000 0.059 0.000 1.051 1175 Q CA -0.759 55.070 55.803 0.043 0.000 0.869 1175 Q CB 1.922 30.710 28.738 0.084 0.000 1.346 1175 Q HN 0.169 nan 8.270 nan 0.000 0.457 1176 E N 1.050 121.310 120.200 0.100 0.000 2.113 1176 E HA 0.209 4.558 4.350 -0.003 0.000 0.273 1176 E C -1.336 175.268 176.600 0.007 0.000 0.924 1176 E CA -0.471 55.872 56.400 -0.095 0.000 0.764 1176 E CB 0.720 30.372 29.700 -0.081 0.000 1.104 1176 E HN 0.351 nan 8.360 nan 0.000 0.406 1177 W N 2.711 123.628 121.300 -0.637 0.000 2.492 1177 W HA 0.529 5.187 4.660 -0.003 0.000 0.373 1177 W C 0.286 176.564 176.519 -0.401 0.000 1.323 1177 W CA -0.882 56.126 57.345 -0.562 0.000 1.406 1177 W CB 0.805 29.762 29.460 -0.837 0.000 1.398 1177 W HN 0.481 nan 8.180 nan 0.000 0.671 1178 R N -0.073 120.428 120.500 0.000 0.000 2.837 1178 R HA 0.695 5.033 4.340 -0.003 0.000 0.271 1178 R C -1.734 174.510 176.300 -0.093 0.000 0.993 1178 R CA -0.649 55.374 56.100 -0.129 0.000 0.931 1178 R CB 1.796 31.797 30.300 -0.499 0.000 1.206 1178 R HN 0.215 nan 8.270 nan 0.000 0.474 1179 V N 3.350 123.233 119.914 -0.052 0.000 2.439 1179 V HA 0.441 4.559 4.120 -0.003 0.000 0.282 1179 V C -1.019 175.079 176.094 0.006 0.000 1.039 1179 V CA -0.225 62.160 62.300 0.141 0.000 0.913 1179 V CB 0.926 32.950 31.823 0.335 0.000 0.983 1179 V HN 0.609 nan 8.190 nan 0.000 0.460 1180 Y N 1.326 121.804 120.300 0.296 0.000 2.605 1180 Y HA 0.648 5.196 4.550 -0.003 0.000 0.343 1180 Y C 0.357 176.329 175.900 0.120 0.000 1.036 1180 Y CA -0.921 57.343 58.100 0.272 0.000 1.065 1180 Y CB 2.421 40.970 38.460 0.149 0.000 1.288 1180 Y HN 0.443 nan 8.280 nan 0.000 0.481 1181 T N 1.439 116.112 114.554 0.198 0.000 2.840 1181 T HA 0.157 4.505 4.350 -0.003 0.000 0.287 1181 T C -1.541 173.324 174.700 0.276 0.000 0.991 1181 T CA -0.589 61.478 62.100 -0.055 0.000 0.964 1181 T CB 0.092 68.535 68.868 -0.708 0.000 0.954 1181 T HN 0.406 nan 8.240 nan 0.000 0.438 1182 Y N 4.036 124.428 120.300 0.154 0.000 2.677 1182 Y HA 0.101 4.649 4.550 -0.003 0.000 0.335 1182 Y C 1.431 177.217 175.900 -0.191 0.000 1.162 1182 Y CA -0.427 57.599 58.100 -0.123 0.000 1.483 1182 Y CB 0.350 38.755 38.460 -0.093 0.000 1.209 1182 Y HN 0.633 nan 8.280 nan 0.000 0.528 1183 K N 4.146 123.992 120.400 -0.923 0.000 2.160 1183 K HA -0.214 4.104 4.320 -0.003 0.000 0.206 1183 K C -0.223 175.801 176.600 -0.959 0.000 1.047 1183 K CA 1.671 57.302 56.287 -1.094 0.000 0.930 1183 K CB -0.188 31.227 32.500 -1.808 0.000 0.720 1183 K HN 0.634 nan 8.250 nan 0.000 0.450 1184 Y N 0.782 120.484 120.300 -0.996 0.000 2.883 1184 Y HA 0.177 4.725 4.550 -0.003 0.000 0.385 1184 Y C -0.365 175.401 175.900 -0.224 0.000 1.067 1184 Y CA -1.581 56.150 58.100 -0.615 0.000 1.682 1184 Y CB -0.734 37.368 38.460 -0.597 0.000 1.606 1184 Y HN -0.061 nan 8.280 nan 0.000 0.508 1185 F N -1.188 118.702 119.950 -0.100 0.000 2.420 1185 F HA 0.599 5.124 4.527 -0.003 0.000 0.342 1185 F C 0.514 176.350 175.800 0.060 0.000 1.113 1185 F CA -1.659 56.392 58.000 0.086 0.000 1.059 1185 F CB 1.190 40.266 39.000 0.127 0.000 1.128 1185 F HN -0.082 nan 8.300 nan 0.000 0.475 1186 K N 2.416 122.814 120.400 -0.003 0.000 2.284 1186 K HA 0.109 4.427 4.320 -0.003 0.000 0.198 1186 K C 0.477 177.032 176.600 -0.075 0.000 1.048 1186 K CA 0.242 56.467 56.287 -0.104 0.000 0.987 1186 K CB 0.119 32.611 32.500 -0.013 0.000 0.800 1186 K HN 0.600 nan 8.250 nan 0.000 0.486 1187 K N 1.302 121.751 120.400 0.081 0.000 2.188 1187 K HA -0.046 4.272 4.320 -0.003 0.000 0.246 1187 K C 0.566 177.241 176.600 0.125 0.000 1.026 1187 K CA 0.213 56.568 56.287 0.114 0.000 0.871 1187 K CB 0.364 32.967 32.500 0.171 0.000 1.042 1187 K HN -0.055 nan 8.250 nan 0.000 0.509 1188 E N 1.165 121.431 120.200 0.110 0.000 2.403 1188 E HA -0.057 4.291 4.350 -0.003 0.000 0.188 1188 E C -0.899 175.844 176.600 0.239 0.000 1.056 1188 E CA -0.023 56.461 56.400 0.138 0.000 0.892 1188 E CB 0.194 29.936 29.700 0.071 0.000 1.049 1188 E HN 0.447 nan 8.360 nan 0.000 0.465 1189 E N 0.153 120.537 120.200 0.306 0.000 2.470 1189 E HA 0.049 4.397 4.350 -0.003 0.000 0.287 1189 E C -1.365 175.254 176.600 0.032 0.000 1.126 1189 E CA -0.691 55.785 56.400 0.126 0.000 0.902 1189 E CB 0.336 29.977 29.700 -0.097 0.000 1.196 1189 E HN 0.171 nan 8.360 nan 0.000 0.430 1190 E N 1.558 121.693 120.200 -0.108 0.000 2.445 1190 E HA 0.543 4.891 4.350 -0.003 0.000 0.279 1190 E C -1.133 175.492 176.600 0.041 0.000 1.018 1190 E CA -1.131 55.258 56.400 -0.018 0.000 0.816 1190 E CB 1.686 31.297 29.700 -0.149 0.000 1.356 1190 E HN 0.355 nan 8.360 nan 0.000 0.462 1191 K N 1.331 121.781 120.400 0.082 0.000 2.350 1191 K HA 0.234 4.552 4.320 -0.003 0.000 0.279 1191 K C -0.065 176.581 176.600 0.077 0.000 1.027 1191 K CA -0.252 56.085 56.287 0.083 0.000 0.969 1191 K CB 0.481 32.928 32.500 -0.088 0.000 0.954 1191 K HN 0.306 nan 8.250 nan 0.000 0.474 1192 L N 2.664 123.942 121.223 0.091 0.000 2.467 1192 L HA 0.143 4.481 4.340 -0.003 0.000 0.270 1192 L C 0.103 177.117 176.870 0.240 0.000 1.205 1192 L CA -0.242 54.649 54.840 0.086 0.000 0.828 1192 L CB 0.077 42.088 42.059 -0.080 0.000 1.101 1192 L HN 0.495 nan 8.230 nan 0.000 0.479 1193 F N 3.325 123.339 119.950 0.108 0.000 2.361 1193 F HA 0.444 4.969 4.527 -0.003 0.000 0.364 1193 F C -0.615 175.297 175.800 0.185 0.000 1.117 1193 F CA -0.596 57.451 58.000 0.078 0.000 1.071 1193 F CB 0.497 39.431 39.000 -0.109 0.000 1.188 1193 F HN 0.116 nan 8.300 nan 0.000 0.464 1194 L N 7.027 128.112 121.223 -0.229 0.000 2.272 1194 L HA 0.847 5.185 4.340 -0.003 0.000 0.289 1194 L C -0.185 176.473 176.870 -0.353 0.000 1.032 1194 L CA -0.580 54.268 54.840 0.014 0.000 0.810 1194 L CB 0.847 43.110 42.059 0.340 0.000 1.205 1194 L HN 0.808 nan 8.230 nan 0.000 0.422 1195 A N 4.949 127.553 122.820 -0.360 0.000 2.564 1195 A HA 0.818 5.136 4.320 -0.003 0.000 0.291 1195 A C -2.915 174.064 177.584 -1.009 0.000 1.102 1195 A CA -1.288 50.151 52.037 -0.998 0.000 0.660 1195 A CB 1.435 19.840 19.000 -0.992 0.000 1.283 1195 A HN 0.397 nan 8.150 nan 0.000 0.430 1196 P HA 0.212 nan 4.420 nan 0.000 0.270 1196 P C -0.556 176.579 177.300 -0.275 0.000 1.221 1196 P CA 0.146 62.667 63.100 -0.964 0.000 0.788 1196 P CB 0.210 31.529 31.700 -0.635 0.000 0.904 1197 I N 1.079 121.583 120.570 -0.111 0.000 2.517 1197 I HA 0.138 4.306 4.170 -0.003 0.000 0.285 1197 I C 0.635 176.753 176.117 0.002 0.000 1.106 1197 I CA 0.985 62.283 61.300 -0.004 0.000 1.402 1197 I CB -0.266 37.708 38.000 -0.044 0.000 1.399 1197 I HN 0.393 nan 8.210 nan 0.000 0.535 1198 S N 3.892 119.631 115.700 0.065 0.000 2.587 1198 S HA 0.307 4.776 4.470 -0.003 0.000 0.269 1198 S C -1.311 173.313 174.600 0.040 0.000 1.154 1198 S CA -1.119 57.088 58.200 0.012 0.000 0.824 1198 S CB 2.229 65.404 63.200 -0.042 0.000 1.118 1198 S HN 0.544 nan 8.310 nan 0.000 0.462 1199 D N 1.312 121.729 120.400 0.029 0.000 2.412 1199 D HA 0.488 5.127 4.640 -0.003 0.000 0.224 1199 D C -1.046 175.277 176.300 0.038 0.000 1.093 1199 D CA 0.187 54.218 54.000 0.051 0.000 0.850 1199 D CB 1.413 42.241 40.800 0.047 0.000 1.046 1199 D HN 0.523 nan 8.370 nan 0.000 0.507 1200 S N 2.856 118.586 115.700 0.050 0.000 2.605 1200 S HA 0.161 4.629 4.470 -0.003 0.000 0.308 1200 S C 0.903 175.513 174.600 0.018 0.000 1.113 1200 S CA -0.798 57.429 58.200 0.046 0.000 1.049 1200 S CB 1.030 64.299 63.200 0.114 0.000 1.001 1200 S HN 0.420 nan 8.310 nan 0.000 0.480 1201 D N 3.431 123.822 120.400 -0.014 0.000 2.384 1201 D HA -0.123 4.515 4.640 -0.003 0.000 0.222 1201 D C 0.751 176.962 176.300 -0.148 0.000 0.976 1201 D CA 0.720 54.691 54.000 -0.049 0.000 0.915 1201 D CB 0.153 40.942 40.800 -0.017 0.000 0.896 1201 D HN 0.746 nan 8.370 nan 0.000 0.523 1202 E N -1.136 118.943 120.200 -0.202 0.000 2.447 1202 E HA 0.118 4.467 4.350 -0.003 0.000 0.195 1202 E C -0.383 175.729 176.600 -0.814 0.000 1.028 1202 E CA -0.019 56.115 56.400 -0.443 0.000 0.876 1202 E CB 0.360 29.817 29.700 -0.405 0.000 0.885 1202 E HN 0.176 nan 8.360 nan 0.000 0.500 1203 F N -0.322 119.451 119.950 -0.295 0.000 2.551 1203 F HA 0.333 4.858 4.527 -0.003 0.000 0.316 1203 F C -0.447 175.275 175.800 -0.130 0.000 1.089 1203 F CA -1.147 56.704 58.000 -0.248 0.000 0.915 1203 F CB 0.973 39.840 39.000 -0.221 0.000 1.186 1203 F HN -0.176 nan 8.300 nan 0.000 0.456 1204 Y N 1.700 122.168 120.300 0.280 0.000 2.316 1204 Y HA 0.210 4.759 4.550 -0.003 0.000 0.331 1204 Y C 0.875 177.137 175.900 0.603 0.000 1.083 1204 Y CA -0.672 57.623 58.100 0.326 0.000 1.206 1204 Y CB 0.798 39.389 38.460 0.218 0.000 1.195 1204 Y HN 0.572 nan 8.280 nan 0.000 0.497 1205 N N -1.662 117.494 118.700 0.760 0.000 2.159 1205 N HA 0.093 4.831 4.740 -0.003 0.000 0.217 1205 N C -0.527 175.327 175.510 0.573 0.000 1.223 1205 N CA -0.137 53.317 53.050 0.673 0.000 0.896 1205 N CB 0.448 39.279 38.487 0.573 0.000 1.064 1205 N HN 0.294 nan 8.380 nan 0.000 0.518 1206 T N 1.454 116.304 114.554 0.493 0.000 2.767 1206 T HA 0.511 4.859 4.350 -0.003 0.000 0.284 1206 T C -0.295 174.405 174.700 -0.000 0.000 0.973 1206 T CA -0.359 61.879 62.100 0.230 0.000 0.996 1206 T CB 1.109 70.060 68.868 0.138 0.000 0.927 1206 T HN 0.079 nan 8.240 nan 0.000 0.456 1207 I N 2.652 123.153 120.570 -0.116 0.000 2.530 1207 I HA 0.393 4.561 4.170 -0.003 0.000 0.297 1207 I C 0.034 176.128 176.117 -0.038 0.000 1.011 1207 I CA -0.883 60.254 61.300 -0.272 0.000 1.107 1207 I CB 2.232 39.990 38.000 -0.404 0.000 1.285 1207 I HN 0.424 nan 8.210 nan 0.000 0.436 1208 Q N 5.946 125.726 119.800 -0.033 0.000 2.347 1208 Q HA 0.469 4.807 4.340 -0.003 0.000 0.262 1208 Q C -0.995 174.922 176.000 -0.138 0.000 0.980 1208 Q CA -0.669 55.073 55.803 -0.101 0.000 0.867 1208 Q CB 1.925 30.607 28.738 -0.093 0.000 1.242 1208 Q HN 0.633 nan 8.270 nan 0.000 0.453 1209 I N 4.541 125.012 120.570 -0.166 0.000 2.471 1209 I HA 0.160 4.328 4.170 -0.003 0.000 0.286 1209 I C -0.653 175.356 176.117 -0.181 0.000 1.079 1209 I CA 0.057 61.276 61.300 -0.135 0.000 1.398 1209 I CB 0.149 38.064 38.000 -0.142 0.000 1.403 1209 I HN 0.551 nan 8.210 nan 0.000 0.530 1210 K N 5.544 125.838 120.400 -0.175 0.000 2.346 1210 K HA 0.522 4.840 4.320 -0.003 0.000 0.238 1210 K C -1.143 175.262 176.600 -0.325 0.000 1.039 1210 K CA -0.846 55.241 56.287 -0.333 0.000 0.861 1210 K CB 1.561 33.726 32.500 -0.558 0.000 1.278 1210 K HN 0.360 nan 8.250 nan 0.000 0.460 1211 E N 0.615 120.532 120.200 -0.471 0.000 2.528 1211 E HA 0.217 4.565 4.350 -0.003 0.000 0.277 1211 E C -1.019 175.320 176.600 -0.434 0.000 0.980 1211 E CA -0.055 56.135 56.400 -0.350 0.000 0.796 1211 E CB 0.050 29.601 29.700 -0.248 0.000 1.427 1211 E HN 0.493 nan 8.360 nan 0.000 0.394 1212 Y N 0.742 120.897 120.300 -0.242 0.000 2.517 1212 Y HA 0.191 4.739 4.550 -0.002 0.000 0.281 1212 Y C 0.880 176.458 175.900 -0.537 0.000 1.125 1212 Y CA 0.072 58.006 58.100 -0.277 0.000 1.283 1212 Y CB 0.425 38.816 38.460 -0.116 0.000 1.042 1212 Y HN 0.386 nan 8.280 nan 0.000 0.547 1213 D N 1.174 121.142 120.400 -0.720 0.000 2.390 1213 D HA -0.012 4.626 4.640 -0.003 0.000 0.249 1213 D C 0.573 176.705 176.300 -0.281 0.000 1.144 1213 D CA 0.337 53.888 54.000 -0.748 0.000 0.880 1213 D CB 0.973 41.377 40.800 -0.660 0.000 1.182 1213 D HN 0.396 nan 8.370 nan 0.000 0.451 1214 E N 1.750 121.863 120.200 -0.145 0.000 2.318 1214 E HA -0.030 4.318 4.350 -0.003 0.000 0.193 1214 E C 0.315 176.889 176.600 -0.044 0.000 0.998 1214 E CA 0.075 56.435 56.400 -0.067 0.000 0.859 1214 E CB 0.390 30.076 29.700 -0.023 0.000 0.812 1214 E HN 0.478 nan 8.360 nan 0.000 0.492 1215 Q N 0.907 120.686 119.800 -0.034 0.000 2.212 1215 Q HA 0.294 4.632 4.340 -0.003 0.000 0.238 1215 Q C -2.338 173.636 176.000 -0.044 0.000 0.955 1215 Q CA -2.390 53.407 55.803 -0.009 0.000 0.906 1215 Q CB -0.033 28.732 28.738 0.045 0.000 1.215 1215 Q HN -0.075 nan 8.270 nan 0.000 0.478 1216 P HA 0.088 nan 4.420 nan 0.000 0.265 1216 P C -0.581 176.669 177.300 -0.083 0.000 1.193 1216 P CA 0.491 63.518 63.100 -0.121 0.000 0.765 1216 P CB 0.618 32.134 31.700 -0.306 0.000 0.823 1217 T N 2.004 116.500 114.554 -0.096 0.000 2.827 1217 T HA 0.339 4.687 4.350 -0.003 0.000 0.328 1217 T C -0.740 173.973 174.700 0.022 0.000 1.598 1217 T CA -0.258 61.773 62.100 -0.114 0.000 1.043 1217 T CB 0.362 69.209 68.868 -0.036 0.000 1.447 1217 T HN 0.055 nan 8.240 nan 0.000 0.491 1218 Y N 0.760 121.058 120.300 -0.002 0.000 2.458 1218 Y HA 0.455 5.003 4.550 -0.003 0.000 0.256 1218 Y C 1.539 177.453 175.900 0.023 0.000 1.159 1218 Y CA -0.716 57.377 58.100 -0.012 0.000 1.261 1218 Y CB -0.027 38.397 38.460 -0.061 0.000 1.119 1218 Y HN 0.346 nan 8.280 nan 0.000 0.524 1219 S N 0.499 116.298 115.700 0.165 0.000 2.632 1219 S HA 0.519 4.988 4.470 -0.003 0.000 0.267 1219 S C 0.188 174.864 174.600 0.126 0.000 1.276 1219 S CA -0.340 57.955 58.200 0.158 0.000 0.998 1219 S CB 1.110 64.392 63.200 0.136 0.000 0.953 1219 S HN 0.426 nan 8.310 nan 0.000 0.547 1220 C N 0.914 120.309 119.300 0.158 0.000 3.318 1220 C HA 0.836 5.294 4.460 -0.003 0.000 0.322 1220 C C -1.720 173.390 174.990 0.200 0.000 1.398 1220 C CA -1.004 58.088 59.018 0.124 0.000 1.339 1220 C CB 0.656 28.467 27.740 0.118 0.000 1.668 1220 C HN 0.708 nan 8.230 nan 0.000 0.462 1221 Q N 0.478 120.376 119.800 0.163 0.000 2.399 1221 Q HA 0.845 5.183 4.340 -0.003 0.000 0.276 1221 Q C -1.225 174.880 176.000 0.174 0.000 1.098 1221 Q CA -0.437 55.517 55.803 0.252 0.000 0.827 1221 Q CB 1.759 30.716 28.738 0.365 0.000 1.386 1221 Q HN 0.745 nan 8.270 nan 0.000 0.443 1222 L N 1.950 123.288 121.223 0.192 0.000 2.319 1222 L HA 0.555 4.893 4.340 -0.003 0.000 0.281 1222 L C -1.233 175.691 176.870 0.091 0.000 1.005 1222 L CA -0.912 53.966 54.840 0.065 0.000 0.828 1222 L CB 1.156 43.200 42.059 -0.024 0.000 1.227 1222 L HN 0.385 nan 8.230 nan 0.000 0.415 1223 L N 3.151 124.401 121.223 0.045 0.000 2.307 1223 L HA 0.580 4.918 4.340 -0.003 0.000 0.284 1223 L C -1.186 175.693 176.870 0.015 0.000 1.023 1223 L CA 0.169 55.077 54.840 0.113 0.000 0.810 1223 L CB 1.288 43.447 42.059 0.167 0.000 1.231 1223 L HN 0.235 nan 8.230 nan 0.000 0.423 1224 F N 4.792 124.802 119.950 0.100 0.000 2.405 1224 F HA 0.506 5.032 4.527 -0.002 0.000 0.355 1224 F C 0.341 176.118 175.800 -0.039 0.000 1.121 1224 F CA -0.214 57.810 58.000 0.040 0.000 1.112 1224 F CB 1.080 40.102 39.000 0.037 0.000 1.126 1224 F HN 0.377 nan 8.300 nan 0.000 0.481 1225 K N 3.179 123.642 120.400 0.104 0.000 2.328 1225 K HA 0.279 4.597 4.320 -0.003 0.000 0.246 1225 K C 0.635 177.118 176.600 -0.195 0.000 0.955 1225 K CA -1.014 55.266 56.287 -0.011 0.000 0.817 1225 K CB 2.610 35.151 32.500 0.069 0.000 1.208 1225 K HN 0.489 nan 8.250 nan 0.000 0.432 1226 K N 0.927 121.190 120.400 -0.228 0.000 2.015 1226 K HA -0.202 4.116 4.320 -0.003 0.000 0.216 1226 K C 0.272 176.881 176.600 0.014 0.000 1.052 1226 K CA 2.236 58.411 56.287 -0.187 0.000 0.937 1226 K CB 0.151 32.654 32.500 0.005 0.000 0.719 1226 K HN 0.772 nan 8.250 nan 0.000 0.446 1227 D N -3.151 117.248 120.400 -0.002 0.000 2.639 1227 D HA 0.035 4.674 4.640 -0.003 0.000 0.271 1227 D C 0.020 176.254 176.300 -0.110 0.000 1.254 1227 D CA -0.455 53.528 54.000 -0.028 0.000 0.810 1227 D CB 0.727 41.533 40.800 0.009 0.000 1.351 1227 D HN -0.143 nan 8.370 nan 0.000 0.427 1228 E N 0.847 120.871 120.200 -0.293 0.000 2.055 1228 E HA -0.256 4.092 4.350 -0.003 0.000 0.209 1228 E C 1.591 178.154 176.600 -0.061 0.000 1.036 1228 E CA 2.447 58.595 56.400 -0.420 0.000 0.849 1228 E CB -0.090 29.235 29.700 -0.625 0.000 0.767 1228 E HN 0.566 nan 8.360 nan 0.000 0.461 1229 E N 0.561 120.735 120.200 -0.043 0.000 2.038 1229 E HA -0.134 4.214 4.350 -0.003 0.000 0.195 1229 E C 0.968 177.585 176.600 0.028 0.000 1.000 1229 E CA 0.788 57.195 56.400 0.012 0.000 0.803 1229 E CB -0.250 29.453 29.700 0.006 0.000 0.750 1229 E HN 0.075 nan 8.360 nan 0.000 0.448 1230 S N 0.467 116.179 115.700 0.019 0.000 2.571 1230 S HA -0.075 4.393 4.470 -0.003 0.000 0.298 1230 S C 1.007 175.631 174.600 0.039 0.000 1.280 1230 S CA 0.547 58.764 58.200 0.028 0.000 1.052 1230 S CB 0.631 63.846 63.200 0.025 0.000 0.799 1230 S HN 0.345 nan 8.310 nan 0.000 0.501 1231 T N 0.947 115.523 114.554 0.038 0.000 3.188 1231 T HA 0.195 4.543 4.350 -0.003 0.000 0.250 1231 T C 0.148 174.872 174.700 0.040 0.000 1.077 1231 T CA -0.368 61.758 62.100 0.044 0.000 0.967 1231 T CB -0.119 68.771 68.868 0.037 0.000 1.006 1231 T HN 0.565 nan 8.240 nan 0.000 0.552 1232 D N 2.692 123.111 120.400 0.032 0.000 2.339 1232 D HA 0.117 4.755 4.640 -0.003 0.000 0.241 1232 D C -0.385 175.927 176.300 0.019 0.000 1.183 1232 D CA -0.052 53.961 54.000 0.023 0.000 0.859 1232 D CB 0.740 41.550 40.800 0.017 0.000 1.067 1232 D HN 0.488 nan 8.370 nan 0.000 0.484 1233 E N 4.196 124.419 120.200 0.038 0.000 2.167 1233 E HA 0.118 4.466 4.350 -0.003 0.000 0.284 1233 E C 1.103 177.742 176.600 0.065 0.000 1.016 1233 E CA -0.712 55.726 56.400 0.063 0.000 0.817 1233 E CB 1.830 31.584 29.700 0.090 0.000 1.080 1233 E HN 0.445 nan 8.360 nan 0.000 0.397 1234 I N 1.592 122.205 120.570 0.071 0.000 2.333 1234 I HA 0.091 4.260 4.170 -0.003 0.000 0.246 1234 I C 1.175 177.438 176.117 0.243 0.000 1.106 1234 I CA 1.011 62.383 61.300 0.121 0.000 1.411 1234 I CB -1.110 36.917 38.000 0.046 0.000 1.082 1234 I HN 0.695 nan 8.210 nan 0.000 0.420 1235 G N 0.505 109.460 108.800 0.258 0.000 2.356 1235 G HA2 0.277 4.235 3.960 -0.003 0.000 0.300 1235 G HA3 0.277 4.235 3.960 -0.003 0.000 0.300 1235 G C -1.519 173.590 174.900 0.347 0.000 1.331 1235 G CA -0.883 44.392 45.100 0.292 0.000 0.905 1235 G HN 0.007 nan 8.290 nan 0.000 0.587 1236 L N 0.237 121.694 121.223 0.390 0.000 2.331 1236 L HA 0.606 4.944 4.340 -0.003 0.000 0.275 1236 L C 0.487 177.633 176.870 0.461 0.000 1.022 1236 L CA -1.061 54.027 54.840 0.412 0.000 0.812 1236 L CB 1.853 44.146 42.059 0.390 0.000 1.257 1236 L HN 0.450 nan 8.230 nan 0.000 0.435 1237 I N 1.269 122.070 120.570 0.385 0.000 2.529 1237 I HA 0.393 4.561 4.170 -0.003 0.000 0.284 1237 I C 0.775 177.273 176.117 0.634 0.000 1.082 1237 I CA 0.414 61.931 61.300 0.362 0.000 1.406 1237 I CB 0.913 38.977 38.000 0.105 0.000 1.405 1237 I HN 0.792 nan 8.210 nan 0.000 0.548 1238 G N 6.485 115.682 108.800 0.660 0.000 2.694 1238 G HA2 0.615 4.573 3.960 -0.003 0.000 0.246 1238 G HA3 0.615 4.573 3.960 -0.003 0.000 0.246 1238 G C -1.278 174.008 174.900 0.644 0.000 1.205 1238 G CA -0.531 44.977 45.100 0.681 0.000 0.891 1238 G HN 0.405 nan 8.290 nan 0.000 0.515 1239 I N 0.473 121.310 120.570 0.445 0.000 2.533 1239 I HA 0.414 4.583 4.170 -0.003 0.000 0.290 1239 I C -1.282 175.031 176.117 0.326 0.000 1.056 1239 I CA -0.683 60.852 61.300 0.391 0.000 1.057 1239 I CB 2.472 40.608 38.000 0.226 0.000 1.240 1239 I HN 0.627 nan 8.210 nan 0.000 0.423 1240 H N 5.634 124.869 119.070 0.274 0.000 2.538 1240 H HA 0.458 5.012 4.556 -0.003 0.000 0.353 1240 H C -0.856 174.553 175.328 0.135 0.000 1.109 1240 H CA -0.651 55.432 56.048 0.058 0.000 1.192 1240 H CB 1.755 31.415 29.762 -0.169 0.000 1.555 1240 H HN 0.454 nan 8.280 nan 0.000 0.518 1241 R N 4.710 124.844 120.500 -0.611 0.000 2.297 1241 R HA 0.276 4.614 4.340 -0.003 0.000 0.308 1241 R C -1.363 174.699 176.300 -0.397 0.000 1.029 1241 R CA -0.284 55.668 56.100 -0.247 0.000 0.929 1241 R CB 0.225 30.368 30.300 -0.260 0.000 1.046 1241 R HN 0.422 nan 8.270 nan 0.000 0.461 1242 F N 2.867 122.925 119.950 0.179 0.000 2.561 1242 F HA 0.301 4.826 4.527 -0.003 0.000 0.321 1242 F C -0.424 175.607 175.800 0.384 0.000 1.065 1242 F CA -0.983 57.194 58.000 0.295 0.000 0.934 1242 F CB 0.948 40.126 39.000 0.296 0.000 1.215 1242 F HN 0.388 nan 8.300 nan 0.000 0.471 1243 Y N 1.840 122.370 120.300 0.384 0.000 2.320 1243 Y HA 0.456 5.004 4.550 -0.003 0.000 0.334 1243 Y C -0.684 175.271 175.900 0.091 0.000 1.055 1243 Y CA -0.813 57.362 58.100 0.125 0.000 1.143 1243 Y CB 0.772 39.261 38.460 0.049 0.000 1.193 1243 Y HN 0.584 nan 8.280 nan 0.000 0.477 1244 E N 3.875 123.759 120.200 -0.526 0.000 2.216 1244 E HA 0.279 4.627 4.350 -0.003 0.000 0.260 1244 E C -1.300 174.921 176.600 -0.631 0.000 0.880 1244 E CA -0.708 55.455 56.400 -0.395 0.000 0.765 1244 E CB 1.755 31.383 29.700 -0.119 0.000 1.174 1244 E HN 0.455 nan 8.360 nan 0.000 0.417 1245 S N 2.522 117.931 115.700 -0.485 0.000 2.667 1245 S HA 0.568 5.037 4.470 -0.003 0.000 0.304 1245 S C -0.272 174.260 174.600 -0.112 0.000 1.135 1245 S CA -0.521 57.484 58.200 -0.325 0.000 1.125 1245 S CB 0.548 63.603 63.200 -0.242 0.000 0.996 1245 S HN 0.609 nan 8.310 nan 0.000 0.474 1246 G N 2.644 111.415 108.800 -0.049 0.000 2.509 1246 G HA2 0.478 4.436 3.960 -0.003 0.000 0.328 1246 G HA3 0.478 4.436 3.960 -0.003 0.000 0.328 1246 G C 1.112 176.011 174.900 -0.001 0.000 1.194 1246 G CA -0.869 44.234 45.100 0.005 0.000 0.967 1246 G HN 0.889 nan 8.290 nan 0.000 0.488 1247 I N -1.584 118.987 120.570 0.001 0.000 2.381 1247 I HA -0.161 4.007 4.170 -0.003 0.000 0.255 1247 I C 1.364 177.441 176.117 -0.067 0.000 1.140 1247 I CA 1.325 62.612 61.300 -0.022 0.000 1.404 1247 I CB -0.445 37.547 38.000 -0.013 0.000 1.075 1247 I HN 0.172 nan 8.210 nan 0.000 0.433 1248 V N -0.367 119.494 119.914 -0.089 0.000 2.721 1248 V HA 0.215 4.333 4.120 -0.003 0.000 0.236 1248 V C 0.571 176.400 176.094 -0.441 0.000 1.116 1248 V CA 0.451 62.569 62.300 -0.303 0.000 1.148 1248 V CB -0.288 31.278 31.823 -0.428 0.000 0.886 1248 V HN 0.175 nan 8.190 nan 0.000 0.490 1249 F N 0.840 120.766 119.950 -0.039 0.000 2.422 1249 F HA 0.589 5.114 4.527 -0.003 0.000 0.333 1249 F C 0.197 175.939 175.800 -0.096 0.000 1.095 1249 F CA -0.688 57.281 58.000 -0.052 0.000 1.038 1249 F CB 1.086 40.059 39.000 -0.045 0.000 1.156 1249 F HN 0.002 nan 8.300 nan 0.000 0.483 1250 E N 3.967 124.209 120.200 0.070 0.000 2.220 1250 E HA 0.421 4.769 4.350 -0.003 0.000 0.256 1250 E C -1.310 175.242 176.600 -0.079 0.000 0.881 1250 E CA -0.367 55.985 56.400 -0.080 0.000 0.766 1250 E CB 1.357 31.038 29.700 -0.032 0.000 1.187 1250 E HN 0.904 nan 8.360 nan 0.000 0.419 1251 E N 3.019 123.078 120.200 -0.235 0.000 2.432 1251 E HA 0.192 4.540 4.350 -0.003 0.000 0.279 1251 E C -1.549 174.914 176.600 -0.229 0.000 1.099 1251 E CA -0.831 55.481 56.400 -0.148 0.000 0.859 1251 E CB 0.565 30.271 29.700 0.009 0.000 1.402 1251 E HN 0.300 nan 8.360 nan 0.000 0.451 1252 Y N 0.486 120.862 120.300 0.128 0.000 2.342 1252 Y HA 0.546 5.094 4.550 -0.003 0.000 0.334 1252 Y C 0.103 176.071 175.900 0.113 0.000 1.067 1252 Y CA -0.394 57.803 58.100 0.163 0.000 1.128 1252 Y CB 1.906 40.457 38.460 0.151 0.000 1.200 1252 Y HN 0.249 nan 8.280 nan 0.000 0.464 1253 K N 2.155 122.757 120.400 0.337 0.000 2.501 1253 K HA 0.317 4.635 4.320 -0.003 0.000 0.252 1253 K C -1.827 174.957 176.600 0.307 0.000 0.934 1253 K CA -0.995 55.416 56.287 0.207 0.000 0.797 1253 K CB 2.112 34.694 32.500 0.135 0.000 1.270 1253 K HN 0.561 nan 8.250 nan 0.000 0.431 1254 D N 1.267 121.717 120.400 0.082 0.000 2.175 1254 D HA 0.345 4.983 4.640 -0.003 0.000 0.248 1254 D C -0.883 175.428 176.300 0.019 0.000 1.047 1254 D CA 0.216 54.329 54.000 0.188 0.000 0.883 1254 D CB 0.708 41.555 40.800 0.080 0.000 1.180 1254 D HN 0.222 nan 8.370 nan 0.000 0.438 1255 Y N 0.152 120.686 120.300 0.391 0.000 2.576 1255 Y HA 0.335 4.883 4.550 -0.003 0.000 0.346 1255 Y C -0.227 175.945 175.900 0.453 0.000 1.018 1255 Y CA -1.304 56.993 58.100 0.328 0.000 1.050 1255 Y CB 1.087 39.641 38.460 0.156 0.000 1.280 1255 Y HN 0.206 nan 8.280 nan 0.000 0.474 1256 F N 2.978 123.150 119.950 0.370 0.000 2.519 1256 F HA 0.351 4.876 4.527 -0.003 0.000 0.375 1256 F C -0.337 175.675 175.800 0.353 0.000 1.084 1256 F CA -0.580 57.619 58.000 0.331 0.000 1.147 1256 F CB -0.647 38.486 39.000 0.222 0.000 1.088 1256 F HN 0.432 nan 8.300 nan 0.000 0.555 1257 C N 6.505 125.981 119.300 0.294 0.000 3.108 1257 C HA 0.624 5.082 4.460 -0.003 0.000 0.321 1257 C C -0.028 175.025 174.990 0.105 0.000 1.357 1257 C CA -1.255 57.871 59.018 0.179 0.000 1.562 1257 C CB 1.901 29.840 27.740 0.331 0.000 2.003 1257 C HN 0.784 nan 8.230 nan 0.000 0.460 1258 I N 1.543 122.145 120.570 0.053 0.000 2.530 1258 I HA 0.664 4.832 4.170 -0.003 0.000 0.297 1258 I C -0.510 175.677 176.117 0.116 0.000 1.011 1258 I CA 0.493 61.848 61.300 0.092 0.000 1.107 1258 I CB 1.524 39.477 38.000 -0.078 0.000 1.285 1258 I HN 0.710 nan 8.210 nan 0.000 0.436 1259 S N 5.133 120.978 115.700 0.242 0.000 2.543 1259 S HA 0.376 4.845 4.470 -0.003 0.000 0.273 1259 S C 0.043 174.785 174.600 0.237 0.000 1.152 1259 S CA -0.744 57.576 58.200 0.200 0.000 0.910 1259 S CB 1.909 65.141 63.200 0.054 0.000 1.105 1259 S HN 0.782 nan 8.310 nan 0.000 0.465 1260 K N 2.054 122.589 120.400 0.225 0.000 2.228 1260 K HA 0.001 4.319 4.320 -0.003 0.000 0.202 1260 K C 1.341 178.019 176.600 0.131 0.000 1.051 1260 K CA 0.925 57.319 56.287 0.178 0.000 0.960 1260 K CB -0.114 32.471 32.500 0.143 0.000 0.743 1260 K HN 0.724 nan 8.250 nan 0.000 0.458 1261 W N 0.976 122.219 121.300 -0.096 0.000 2.325 1261 W HA -0.270 4.388 4.660 -0.003 0.000 0.299 1261 W C 1.279 177.723 176.519 -0.124 0.000 1.215 1261 W CA 1.639 58.888 57.345 -0.159 0.000 1.244 1261 W CB -0.261 29.033 29.460 -0.277 0.000 1.140 1261 W HN 0.068 nan 8.180 nan 0.000 0.523 1262 Y N 0.079 120.425 120.300 0.077 0.000 2.333 1262 Y HA -0.185 4.363 4.550 -0.003 0.000 0.290 1262 Y C 2.398 178.152 175.900 -0.243 0.000 1.144 1262 Y CA 1.358 59.378 58.100 -0.132 0.000 1.228 1262 Y CB -1.310 37.182 38.460 0.052 0.000 0.985 1262 Y HN -0.055 nan 8.280 nan 0.000 0.542 1263 L N 0.474 121.694 121.223 -0.006 0.000 2.051 1263 L HA -0.324 4.014 4.340 -0.003 0.000 0.214 1263 L C 2.420 179.187 176.870 -0.173 0.000 1.076 1263 L CA 2.346 57.140 54.840 -0.076 0.000 0.758 1263 L CB -0.621 41.431 42.059 -0.011 0.000 0.890 1263 L HN 0.313 nan 8.230 nan 0.000 0.433 1264 K N -1.235 119.026 120.400 -0.233 0.000 2.211 1264 K HA -0.042 4.276 4.320 -0.003 0.000 0.201 1264 K C 1.712 178.128 176.600 -0.306 0.000 1.052 1264 K CA 0.438 56.578 56.287 -0.245 0.000 0.973 1264 K CB -0.100 32.256 32.500 -0.240 0.000 0.766 1264 K HN 0.116 nan 8.250 nan 0.000 0.466 1265 E N 1.693 121.621 120.200 -0.453 0.000 2.110 1265 E HA -0.130 4.218 4.350 -0.003 0.000 0.193 1265 E C 2.252 178.684 176.600 -0.280 0.000 0.988 1265 E CA 1.698 57.828 56.400 -0.451 0.000 0.804 1265 E CB -0.230 29.071 29.700 -0.665 0.000 0.745 1265 E HN 0.402 nan 8.360 nan 0.000 0.458 1266 V N -1.016 118.747 119.914 -0.253 0.000 3.078 1266 V HA -0.090 4.028 4.120 -0.003 0.000 0.265 1266 V C 1.738 177.812 176.094 -0.033 0.000 1.122 1266 V CA 1.275 63.486 62.300 -0.149 0.000 1.141 1266 V CB -0.524 31.005 31.823 -0.490 0.000 0.735 1266 V HN 0.048 nan 8.190 nan 0.000 0.498 1267 K N 0.136 120.476 120.400 -0.100 0.000 2.314 1267 K HA 0.166 4.484 4.320 -0.003 0.000 0.198 1267 K C 0.999 177.595 176.600 -0.006 0.000 1.045 1267 K CA -0.074 56.196 56.287 -0.029 0.000 0.988 1267 K CB 0.048 32.514 32.500 -0.055 0.000 0.783 1267 K HN 0.476 nan 8.250 nan 0.000 0.484 1268 R N 1.650 122.123 120.500 -0.046 0.000 2.734 1268 R HA 0.080 4.418 4.340 -0.003 0.000 0.266 1268 R C -0.093 176.215 176.300 0.012 0.000 1.044 1268 R CA 0.505 56.582 56.100 -0.039 0.000 1.128 1268 R CB 0.369 30.617 30.300 -0.087 0.000 1.010 1268 R HN -0.151 nan 8.270 nan 0.000 0.461 1269 K N 2.676 123.083 120.400 0.011 0.000 2.427 1269 K HA 0.368 4.687 4.320 -0.003 0.000 0.252 1269 K C -2.014 174.596 176.600 0.016 0.000 0.931 1269 K CA -1.669 54.639 56.287 0.035 0.000 0.793 1269 K CB 1.712 34.232 32.500 0.034 0.000 1.211 1269 K HN 0.575 nan 8.250 nan 0.000 0.426 1270 P HA 0.129 nan 4.420 nan 0.000 0.274 1270 P C -0.575 176.769 177.300 0.073 0.000 1.246 1270 P CA -0.433 62.701 63.100 0.058 0.000 0.795 1270 P CB 0.416 32.145 31.700 0.048 0.000 1.006 1271 Y N 1.686 121.986 120.300 -0.000 0.000 2.632 1271 Y HA -0.025 4.523 4.550 -0.002 0.000 0.329 1271 Y C 0.878 176.774 175.900 -0.006 0.000 1.174 1271 Y CA -0.068 58.031 58.100 -0.002 0.000 1.469 1271 Y CB -0.093 38.375 38.460 0.013 0.000 1.242 1271 Y HN 0.295 nan 8.280 nan 0.000 0.540 1272 N N 6.737 125.039 118.700 -0.663 0.000 2.466 1272 N HA 0.020 4.758 4.740 -0.003 0.000 0.263 1272 N C 0.539 175.743 175.510 -0.510 0.000 1.178 1272 N CA 0.357 53.132 53.050 -0.459 0.000 0.983 1272 N CB -0.028 38.245 38.487 -0.357 0.000 1.331 1272 N HN 0.918 nan 8.380 nan 0.000 0.500 1273 L N 1.941 123.047 121.223 -0.195 0.000 2.353 1273 L HA -0.094 4.244 4.340 -0.003 0.000 0.220 1273 L C 1.793 178.613 176.870 -0.084 0.000 1.133 1273 L CA 0.787 55.600 54.840 -0.045 0.000 0.798 1273 L CB -0.112 41.970 42.059 0.038 0.000 0.922 1273 L HN 0.317 nan 8.230 nan 0.000 0.445 1274 K N 0.232 120.565 120.400 -0.112 0.000 2.426 1274 K HA 0.173 4.491 4.320 -0.003 0.000 0.193 1274 K C 0.672 177.204 176.600 -0.114 0.000 1.028 1274 K CA 0.036 56.265 56.287 -0.096 0.000 1.047 1274 K CB -0.019 32.445 32.500 -0.061 0.000 0.821 1274 K HN 0.279 nan 8.250 nan 0.000 0.513 1275 L N 0.806 121.939 121.223 -0.150 0.000 2.559 1275 L HA -0.065 4.274 4.340 -0.003 0.000 0.282 1275 L C 1.727 178.477 176.870 -0.200 0.000 1.232 1275 L CA 0.032 54.809 54.840 -0.106 0.000 0.885 1275 L CB 0.336 42.278 42.059 -0.195 0.000 1.131 1275 L HN 0.223 nan 8.230 nan 0.000 0.498 1276 G N 1.755 110.506 108.800 -0.080 0.000 2.625 1276 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.214 1276 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.214 1276 G C 1.181 175.773 174.900 -0.514 0.000 1.132 1276 G CA 0.641 45.625 45.100 -0.194 0.000 0.782 1276 G HN 0.911 nan 8.290 nan 0.000 0.538 1277 C N -1.244 117.566 119.300 -0.817 0.000 2.791 1277 C HA 0.363 4.821 4.460 -0.003 0.000 0.270 1277 C C 0.610 175.380 174.990 -0.366 0.000 1.257 1277 C CA -1.744 56.856 59.018 -0.697 0.000 1.699 1277 C CB -1.655 25.413 27.740 -1.120 0.000 1.904 1277 C HN 0.237 nan 8.230 nan 0.000 0.603 1278 N N 0.769 119.202 118.700 -0.444 0.000 2.408 1278 N HA 0.422 5.160 4.740 -0.003 0.000 0.257 1278 N C -1.086 174.192 175.510 -0.386 0.000 1.064 1278 N CA -0.142 52.781 53.050 -0.213 0.000 0.952 1278 N CB 0.558 38.983 38.487 -0.102 0.000 1.093 1278 N HN 0.564 nan 8.380 nan 0.000 0.490 1279 W N 0.897 122.162 121.300 -0.058 0.000 2.820 1279 W HA 0.492 5.150 4.660 -0.003 0.000 0.350 1279 W C -0.170 176.302 176.519 -0.079 0.000 1.116 1279 W CA -0.608 56.651 57.345 -0.143 0.000 1.146 1279 W CB 1.197 30.489 29.460 -0.281 0.000 1.433 1279 W HN 0.152 nan 8.180 nan 0.000 0.561 1280 Q N 0.878 120.786 119.800 0.180 0.000 2.345 1280 Q HA 0.444 4.782 4.340 -0.003 0.000 0.275 1280 Q C -1.653 174.290 176.000 -0.095 0.000 1.063 1280 Q CA -0.963 54.948 55.803 0.181 0.000 0.819 1280 Q CB 2.581 31.602 28.738 0.471 0.000 1.356 1280 Q HN 0.285 nan 8.270 nan 0.000 0.418 1281 F N 2.338 122.254 119.950 -0.056 0.000 2.404 1281 F HA 0.481 5.006 4.527 -0.003 0.000 0.354 1281 F C -0.002 175.691 175.800 -0.178 0.000 1.122 1281 F CA -0.530 57.327 58.000 -0.239 0.000 1.080 1281 F CB 0.808 39.314 39.000 -0.822 0.000 1.131 1281 F HN 0.283 nan 8.300 nan 0.000 0.471 1282 I N 6.347 126.992 120.570 0.126 0.000 2.330 1282 I HA 0.366 4.534 4.170 -0.003 0.000 0.289 1282 I C -2.425 173.976 176.117 0.473 0.000 1.001 1282 I CA -1.897 59.429 61.300 0.043 0.000 1.193 1282 I CB 1.525 39.337 38.000 -0.314 0.000 1.345 1282 I HN 0.308 nan 8.210 nan 0.000 0.461 1283 P HA 0.301 nan 4.420 nan 0.000 0.287 1283 P C -1.153 176.462 177.300 0.525 0.000 1.290 1283 P CA -0.942 62.456 63.100 0.497 0.000 0.889 1283 P CB 1.348 33.290 31.700 0.404 0.000 1.190 1284 K N 1.234 121.756 120.400 0.203 0.000 2.485 1284 K HA 0.107 4.425 4.320 -0.003 0.000 0.277 1284 K C 0.144 176.871 176.600 0.212 0.000 0.990 1284 K CA 0.994 57.265 56.287 -0.026 0.000 0.994 1284 K CB -0.160 32.240 32.500 -0.166 0.000 0.906 1284 K HN 0.563 nan 8.250 nan 0.000 0.488 1285 D N 1.533 122.102 120.400 0.281 0.000 2.891 1285 D HA -0.010 4.628 4.640 -0.003 0.000 0.224 1285 D C 0.762 177.135 176.300 0.121 0.000 1.321 1285 D CA -0.159 53.910 54.000 0.116 0.000 0.929 1285 D CB 1.112 41.788 40.800 -0.207 0.000 1.551 1285 D HN 0.580 nan 8.370 nan 0.000 0.574 1286 E N 1.784 122.045 120.200 0.102 0.000 2.284 1286 E HA -0.172 4.176 4.350 -0.003 0.000 0.200 1286 E C 1.351 178.084 176.600 0.221 0.000 1.008 1286 E CA 1.328 57.822 56.400 0.157 0.000 0.829 1286 E CB -0.167 29.613 29.700 0.134 0.000 0.744 1286 E HN 0.422 nan 8.360 nan 0.000 0.491 1287 G N 0.112 109.019 108.800 0.177 0.000 2.744 1287 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.211 1287 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.211 1287 G C -0.319 174.530 174.900 -0.086 0.000 1.143 1287 G CA -0.170 44.967 45.100 0.061 0.000 0.788 1287 G HN 0.316 nan 8.290 nan 0.000 0.534 1288 W N 2.181 123.351 121.300 -0.217 0.000 2.687 1288 W HA 0.482 5.140 4.660 -0.003 0.000 0.328 1288 W C -1.035 175.463 176.519 -0.034 0.000 1.012 1288 W CA -0.667 56.551 57.345 -0.211 0.000 1.262 1288 W CB 1.574 30.886 29.460 -0.245 0.000 1.331 1288 W HN 0.016 nan 8.180 nan 0.000 0.433 1289 T N 2.113 116.388 114.554 -0.465 0.000 2.861 1289 T HA 0.667 5.015 4.350 -0.003 0.000 0.287 1289 T C -0.479 173.969 174.700 -0.420 0.000 1.003 1289 T CA -0.587 61.398 62.100 -0.192 0.000 0.977 1289 T CB 2.810 71.614 68.868 -0.107 0.000 0.996 1289 T HN 0.541 nan 8.240 nan 0.000 0.448 1290 E N 0.000 120.142 120.200 -0.096 0.000 2.725 1290 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 1290 E CA 0.000 56.407 56.400 0.012 0.000 0.976 1290 E CB 0.000 29.773 29.700 0.122 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440