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 1vld_1_W DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 G N -0.946 107.865 108.800 0.019 0.000 2.495 2 G HA2 0.631 4.590 3.960 -0.000 0.000 0.294 2 G HA3 0.631 4.590 3.960 -0.000 0.000 0.294 2 G C -1.514 173.399 174.900 0.022 0.000 1.397 2 G CA -0.757 44.356 45.100 0.021 0.000 0.790 2 G HN -0.096 nan 8.290 nan 0.000 0.486 3 E N -0.932 119.281 120.200 0.023 0.000 2.322 3 E HA 0.498 4.848 4.350 -0.000 0.000 0.257 3 E C -0.222 176.398 176.600 0.034 0.000 1.155 3 E CA -0.587 55.828 56.400 0.025 0.000 0.936 3 E CB 1.851 31.562 29.700 0.019 0.000 1.130 3 E HN 0.211 nan 8.360 nan 0.000 0.465 4 V N 1.686 121.626 119.914 0.043 0.000 2.364 4 V HA 0.174 4.294 4.120 -0.000 0.000 0.272 4 V C 0.019 176.142 176.094 0.048 0.000 1.036 4 V CA -0.535 61.807 62.300 0.070 0.000 0.880 4 V CB 1.269 33.159 31.823 0.111 0.000 0.991 4 V HN 0.290 nan 8.190 nan 0.000 0.460 5 V N 5.464 125.389 119.914 0.018 0.000 2.547 5 V HA 0.508 4.628 4.120 -0.000 0.000 0.299 5 V C 0.261 176.256 176.094 -0.166 0.000 1.040 5 V CA -0.934 61.334 62.300 -0.053 0.000 0.913 5 V CB 1.843 33.640 31.823 -0.042 0.000 0.992 5 V HN 0.816 nan 8.190 nan 0.000 0.449 6 R N 3.667 123.989 120.500 -0.297 0.000 2.230 6 R HA 0.554 4.894 4.340 -0.000 0.000 0.337 6 R C -0.934 175.144 176.300 -0.371 0.000 1.063 6 R CA -0.311 55.438 56.100 -0.585 0.000 0.935 6 R CB 0.283 30.120 30.300 -0.770 0.000 1.121 6 R HN 0.696 nan 8.270 nan 0.000 0.486 7 L N 1.865 122.933 121.223 -0.258 0.000 2.440 7 L HA 0.547 4.887 4.340 -0.000 0.000 0.262 7 L C 0.466 177.321 176.870 -0.024 0.000 1.072 7 L CA -0.768 53.994 54.840 -0.130 0.000 0.798 7 L CB 1.754 43.759 42.059 -0.091 0.000 1.307 7 L HN 0.627 nan 8.230 nan 0.000 0.475 8 T N -2.068 112.482 114.554 -0.008 0.000 2.900 8 T HA 0.563 4.913 4.350 -0.000 0.000 0.295 8 T C -0.662 174.010 174.700 -0.047 0.000 1.044 8 T CA -0.744 61.386 62.100 0.050 0.000 0.995 8 T CB 2.393 71.317 68.868 0.093 0.000 1.072 8 T HN 0.576 nan 8.240 nan 0.000 0.473 9 N N -0.139 118.515 118.700 -0.076 0.000 3.449 9 N HA 0.606 5.346 4.740 -0.000 0.000 0.312 9 N C -1.565 173.834 175.510 -0.186 0.000 1.557 9 N CA -0.430 52.496 53.050 -0.208 0.000 0.864 9 N CB 1.775 39.967 38.487 -0.491 0.000 1.799 9 N HN 0.785 nan 8.380 nan 0.000 0.554 10 S N -1.252 114.290 115.700 -0.263 0.000 2.757 10 S HA 0.819 5.288 4.470 -0.000 0.000 0.285 10 S C -1.616 172.879 174.600 -0.174 0.000 1.196 10 S CA 0.020 58.134 58.200 -0.144 0.000 0.856 10 S CB 0.622 63.862 63.200 0.068 0.000 1.212 10 S HN 0.902 nan 8.310 nan 0.000 0.516 11 S N -0.488 115.070 115.700 -0.237 0.000 2.727 11 S HA 0.409 4.879 4.470 -0.000 0.000 0.278 11 S C 0.286 174.587 174.600 -0.498 0.000 1.186 11 S CA 0.184 58.253 58.200 -0.218 0.000 0.836 11 S CB 0.474 63.564 63.200 -0.184 0.000 1.186 11 S HN 1.169 nan 8.310 nan 0.000 0.499 12 T N -2.368 112.063 114.554 -0.205 0.000 3.284 12 T HA 0.336 4.686 4.350 -0.000 0.000 0.252 12 T C 1.133 175.872 174.700 0.065 0.000 1.144 12 T CA 0.681 62.654 62.100 -0.213 0.000 1.021 12 T CB -0.649 68.311 68.868 0.152 0.000 0.984 12 T HN 1.128 nan 8.240 nan 0.000 0.545 13 G N -0.451 108.363 108.800 0.023 0.000 3.274 13 G HA2 0.598 4.558 3.960 -0.000 0.000 0.250 13 G HA3 0.598 4.558 3.960 -0.000 0.000 0.250 13 G C 0.526 175.402 174.900 -0.039 0.000 1.024 13 G CA -0.082 45.067 45.100 0.082 0.000 0.840 13 G HN 0.983 nan 8.290 nan 0.000 0.522 14 G N -0.403 108.307 108.800 -0.151 0.000 2.362 14 G HA2 0.228 4.188 3.960 -0.000 0.000 0.656 14 G HA3 0.228 4.188 3.960 -0.000 0.000 0.656 14 G C -3.437 171.176 174.900 -0.479 0.000 1.376 14 G CA -0.967 43.945 45.100 -0.313 0.000 0.971 14 G HN 0.084 nan 8.290 nan 0.000 0.636 15 P HA 0.457 nan 4.420 nan 0.000 0.269 15 P C 0.044 177.118 177.300 -0.377 0.000 1.209 15 P CA -0.148 62.646 63.100 -0.511 0.000 0.776 15 P CB 1.295 32.616 31.700 -0.632 0.000 0.876 16 V N -0.235 119.527 119.914 -0.253 0.000 2.888 16 V HA 0.524 4.644 4.120 -0.000 0.000 0.309 16 V C -1.105 174.969 176.094 -0.034 0.000 1.114 16 V CA -0.936 61.287 62.300 -0.128 0.000 0.940 16 V CB 1.782 33.637 31.823 0.054 0.000 1.021 16 V HN 0.321 nan 8.190 nan 0.000 0.426 17 F N 2.886 122.825 119.950 -0.019 0.000 2.390 17 F HA 0.599 5.126 4.527 -0.000 0.000 0.361 17 F C 0.204 176.025 175.800 0.034 0.000 1.124 17 F CA -0.848 57.121 58.000 -0.051 0.000 1.149 17 F CB 1.800 40.781 39.000 -0.032 0.000 1.160 17 F HN 0.405 nan 8.300 nan 0.000 0.501 18 V N 5.123 125.141 119.914 0.173 0.000 2.427 18 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 18 V C -0.668 175.427 176.094 0.003 0.000 1.034 18 V CA -0.834 61.581 62.300 0.192 0.000 0.893 18 V CB 1.024 32.986 31.823 0.232 0.000 0.982 18 V HN 0.388 nan 8.190 nan 0.000 0.452 19 Y N 3.377 123.730 120.300 0.089 0.000 2.335 19 Y HA 0.641 5.191 4.550 -0.000 0.000 0.339 19 Y C 0.115 176.052 175.900 0.062 0.000 0.987 19 Y CA -0.733 57.397 58.100 0.051 0.000 1.140 19 Y CB 1.710 40.190 38.460 0.034 0.000 1.173 19 Y HN 0.363 nan 8.280 nan 0.000 0.486 20 V N 3.818 123.816 119.914 0.141 0.000 2.769 20 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 20 V C -0.678 175.472 176.094 0.092 0.000 1.061 20 V CA -1.421 60.948 62.300 0.116 0.000 0.931 20 V CB 2.185 34.057 31.823 0.082 0.000 1.010 20 V HN 0.643 nan 8.190 nan 0.000 0.433 21 K N 2.458 122.909 120.400 0.085 0.000 2.615 21 K HA 0.346 4.665 4.320 -0.000 0.000 0.249 21 K C -1.099 175.532 176.600 0.052 0.000 0.977 21 K CA -0.454 55.871 56.287 0.063 0.000 0.833 21 K CB 1.107 33.642 32.500 0.058 0.000 1.208 21 K HN 0.797 nan 8.250 nan 0.000 0.443 22 D N 3.491 123.918 120.400 0.045 0.000 2.705 22 D HA -0.174 4.466 4.640 -0.000 0.000 0.240 22 D C 0.486 176.815 176.300 0.048 0.000 1.137 22 D CA 1.669 55.693 54.000 0.040 0.000 0.677 22 D CB -1.193 39.624 40.800 0.029 0.000 1.049 22 D HN 1.134 nan 8.370 nan 0.000 0.427 23 G N 0.124 108.960 108.800 0.060 0.000 2.198 23 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 23 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 23 G C 0.169 175.127 174.900 0.098 0.000 1.025 23 G CA 1.014 46.158 45.100 0.074 0.000 0.769 23 G HN 0.704 nan 8.290 nan 0.000 0.507 24 K N -0.533 119.928 120.400 0.101 0.000 2.502 24 K HA 0.682 5.002 4.320 -0.000 0.000 0.257 24 K C -0.341 176.359 176.600 0.167 0.000 0.938 24 K CA -1.272 55.097 56.287 0.136 0.000 0.819 24 K CB 1.362 33.888 32.500 0.042 0.000 1.333 24 K HN 0.073 nan 8.250 nan 0.000 0.434 25 I N 5.524 126.253 120.570 0.264 0.000 2.342 25 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 25 I C 1.112 177.348 176.117 0.199 0.000 1.010 25 I CA -0.281 61.160 61.300 0.235 0.000 1.308 25 I CB 1.078 39.219 38.000 0.235 0.000 1.400 25 I HN 0.659 nan 8.210 nan 0.000 0.488 26 I N 5.525 126.197 120.570 0.170 0.000 2.494 26 I HA 0.048 4.218 4.170 -0.000 0.000 0.250 26 I C 0.905 177.091 176.117 0.114 0.000 1.112 26 I CA 0.557 61.930 61.300 0.121 0.000 1.438 26 I CB 0.039 38.100 38.000 0.102 0.000 1.111 26 I HN 0.667 nan 8.210 nan 0.000 0.431 27 R N 0.219 120.813 120.500 0.156 0.000 2.741 27 R HA 0.583 4.923 4.340 -0.000 0.000 0.276 27 R C -1.809 174.624 176.300 0.222 0.000 1.028 27 R CA -0.822 55.358 56.100 0.133 0.000 0.865 27 R CB 1.228 31.540 30.300 0.019 0.000 1.268 27 R HN -0.133 nan 8.270 nan 0.000 0.475 28 M N 1.291 121.002 119.600 0.185 0.000 2.393 28 M HA 0.473 4.953 4.480 -0.000 0.000 0.299 28 M C -0.959 175.446 176.300 0.176 0.000 1.103 28 M CA -0.751 54.684 55.300 0.225 0.000 0.910 28 M CB 2.711 35.423 32.600 0.187 0.000 1.659 28 M HN 0.967 nan 8.290 nan 0.000 0.445 29 T N 0.123 114.803 114.554 0.211 0.000 2.812 29 T HA 0.751 5.101 4.350 -0.000 0.000 0.294 29 T C -3.035 171.704 174.700 0.065 0.000 1.159 29 T CA -1.827 60.354 62.100 0.134 0.000 1.008 29 T CB 2.069 71.035 68.868 0.162 0.000 1.289 29 T HN 0.246 nan 8.240 nan 0.000 0.514 30 P HA 0.327 nan 4.420 nan 0.000 0.280 30 P C -0.606 176.563 177.300 -0.220 0.000 1.278 30 P CA -0.436 62.588 63.100 -0.128 0.000 0.787 30 P CB 0.292 31.927 31.700 -0.108 0.000 1.163 31 M N 0.474 119.824 119.600 -0.417 0.000 2.243 31 M HA 0.258 4.737 4.480 -0.000 0.000 0.324 31 M C -0.531 175.528 176.300 -0.402 0.000 1.031 31 M CA -0.425 54.460 55.300 -0.692 0.000 0.949 31 M CB 1.346 33.329 32.600 -1.029 0.000 1.615 31 M HN 0.161 nan 8.290 nan 0.000 0.430 32 D N 3.083 123.455 120.400 -0.048 0.000 2.210 32 D HA 0.374 5.014 4.640 -0.000 0.000 0.249 32 D C -1.005 175.415 176.300 0.199 0.000 1.078 32 D CA 0.128 54.131 54.000 0.005 0.000 0.875 32 D CB 1.319 42.201 40.800 0.137 0.000 1.175 32 D HN 0.435 nan 8.370 nan 0.000 0.440 33 F N 1.001 120.936 119.950 -0.027 0.000 2.404 33 F HA 0.055 4.582 4.527 -0.000 0.000 0.345 33 F C 1.214 177.055 175.800 0.068 0.000 1.110 33 F CA -0.923 57.081 58.000 0.007 0.000 1.130 33 F CB 1.236 40.183 39.000 -0.088 0.000 1.129 33 F HN 0.087 nan 8.300 nan 0.000 0.500 34 D N 3.818 124.408 120.400 0.317 0.000 2.468 34 D HA 0.050 4.689 4.640 -0.000 0.000 0.218 34 D C 0.522 176.898 176.300 0.126 0.000 1.155 34 D CA -0.121 53.994 54.000 0.192 0.000 0.924 34 D CB 0.333 41.243 40.800 0.183 0.000 1.029 34 D HN 0.454 nan 8.370 nan 0.000 0.515 35 D N 2.242 122.709 120.400 0.111 0.000 2.362 35 D HA -0.166 4.474 4.640 -0.000 0.000 0.215 35 D C 1.637 177.965 176.300 0.047 0.000 0.978 35 D CA 0.973 55.016 54.000 0.073 0.000 0.921 35 D CB 0.212 41.052 40.800 0.067 0.000 0.895 35 D HN 0.509 nan 8.370 nan 0.000 0.494 36 A N -0.314 122.536 122.820 0.050 0.000 2.123 36 A HA 0.112 4.432 4.320 -0.000 0.000 0.214 36 A C 1.809 179.410 177.584 0.029 0.000 1.152 36 A CA 0.962 53.021 52.037 0.037 0.000 0.728 36 A CB 0.239 19.261 19.000 0.036 0.000 0.814 36 A HN 0.245 nan 8.150 nan 0.000 0.464 37 V N -4.549 115.381 119.914 0.026 0.000 3.392 37 V HA 0.313 4.432 4.120 -0.000 0.000 0.294 37 V C -1.045 175.031 176.094 -0.030 0.000 1.561 37 V CA -0.424 61.880 62.300 0.007 0.000 1.056 37 V CB 0.189 32.011 31.823 -0.001 0.000 0.882 37 V HN 0.142 nan 8.190 nan 0.000 0.440 38 D N 2.614 122.989 120.400 -0.042 0.000 2.408 38 D HA 0.688 5.327 4.640 -0.000 0.000 0.243 38 D C 0.454 176.665 176.300 -0.148 0.000 1.075 38 D CA 0.287 54.197 54.000 -0.148 0.000 0.832 38 D CB 2.130 42.816 40.800 -0.189 0.000 1.162 38 D HN 0.471 nan 8.370 nan 0.000 0.515 39 A N 3.795 126.492 122.820 -0.205 0.000 2.603 39 A HA 0.207 4.527 4.320 -0.000 0.000 0.235 39 A C -2.009 175.528 177.584 -0.079 0.000 1.035 39 A CA -0.346 51.607 52.037 -0.141 0.000 0.755 39 A CB -0.477 18.396 19.000 -0.210 0.000 0.954 39 A HN 0.310 nan 8.150 nan 0.000 0.511 40 P HA 0.170 nan 4.420 nan 0.000 0.270 40 P C -0.021 177.318 177.300 0.066 0.000 1.223 40 P CA -0.032 63.088 63.100 0.033 0.000 0.785 40 P CB 0.541 32.261 31.700 0.033 0.000 0.923 41 S N 0.443 116.194 115.700 0.086 0.000 2.669 41 S HA 0.350 4.819 4.470 -0.000 0.000 0.270 41 S C -0.085 174.513 174.600 -0.004 0.000 1.225 41 S CA -0.707 57.520 58.200 0.046 0.000 0.991 41 S CB 0.196 63.399 63.200 0.005 0.000 0.987 41 S HN 0.492 nan 8.310 nan 0.000 0.552 42 W N 0.669 121.998 121.300 0.048 0.000 2.049 42 W HA 0.561 5.221 4.660 -0.000 0.000 0.356 42 W C -0.652 175.903 176.519 0.059 0.000 1.323 42 W CA -0.511 56.855 57.345 0.036 0.000 1.336 42 W CB -0.091 29.376 29.460 0.011 0.000 1.176 42 W HN 0.396 nan 8.180 nan 0.000 0.623 43 K N 0.880 121.550 120.400 0.450 0.000 2.477 43 K HA 0.680 5.000 4.320 -0.000 0.000 0.255 43 K C -1.143 175.693 176.600 0.393 0.000 0.952 43 K CA -1.024 55.449 56.287 0.310 0.000 0.826 43 K CB 2.728 35.308 32.500 0.134 0.000 1.331 43 K HN 0.386 nan 8.250 nan 0.000 0.437 44 I N 2.023 122.791 120.570 0.330 0.000 2.534 44 I HA 0.165 4.335 4.170 -0.000 0.000 0.286 44 I C -1.167 175.087 176.117 0.229 0.000 1.094 44 I CA -0.688 60.775 61.300 0.271 0.000 1.055 44 I CB 2.216 40.397 38.000 0.302 0.000 1.225 44 I HN 0.475 nan 8.210 nan 0.000 0.435 45 E N 5.307 125.591 120.200 0.139 0.000 2.046 45 E HA 0.678 5.028 4.350 -0.000 0.000 0.279 45 E C -0.676 175.992 176.600 0.114 0.000 0.989 45 E CA -0.169 56.287 56.400 0.094 0.000 0.798 45 E CB 1.552 31.278 29.700 0.044 0.000 1.086 45 E HN 0.612 nan 8.360 nan 0.000 0.399 46 A N 3.314 126.249 122.820 0.192 0.000 2.455 46 A HA 0.604 4.924 4.320 -0.000 0.000 0.300 46 A C -0.398 177.293 177.584 0.179 0.000 1.040 46 A CA -0.837 51.296 52.037 0.160 0.000 0.697 46 A CB 0.940 20.017 19.000 0.129 0.000 1.265 46 A HN 0.685 nan 8.150 nan 0.000 0.407 47 R N 0.932 121.480 120.500 0.080 0.000 3.225 47 R HA -0.229 4.111 4.340 -0.000 0.000 0.245 47 R C 1.120 177.451 176.300 0.052 0.000 0.928 47 R CA 1.205 57.347 56.100 0.070 0.000 0.632 47 R CB -1.784 28.574 30.300 0.097 0.000 1.038 47 R HN 2.490 nan 8.270 nan 0.000 0.461 48 G N -0.418 108.393 108.800 0.020 0.000 2.168 48 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 48 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 48 G C -0.056 174.798 174.900 -0.076 0.000 0.997 48 G CA 1.104 46.194 45.100 -0.017 0.000 0.708 48 G HN 0.456 nan 8.290 nan 0.000 0.520 49 K N -0.547 119.778 120.400 -0.125 0.000 2.477 49 K HA 0.620 4.940 4.320 -0.000 0.000 0.255 49 K C -0.753 175.535 176.600 -0.519 0.000 0.952 49 K CA -0.740 55.322 56.287 -0.375 0.000 0.826 49 K CB 1.895 34.047 32.500 -0.580 0.000 1.331 49 K HN 0.039 nan 8.250 nan 0.000 0.437 50 T N 1.810 115.997 114.554 -0.612 0.000 2.794 50 T HA 0.521 4.870 4.350 -0.000 0.000 0.280 50 T C -0.955 173.273 174.700 -0.788 0.000 0.987 50 T CA -0.436 61.385 62.100 -0.464 0.000 0.993 50 T CB 0.152 68.872 68.868 -0.246 0.000 0.939 50 T HN 0.228 nan 8.240 nan 0.000 0.449 51 F N 1.429 121.189 119.950 -0.316 0.000 2.467 51 F HA 0.603 5.130 4.527 -0.000 0.000 0.336 51 F C 0.667 176.252 175.800 -0.357 0.000 1.123 51 F CA -0.778 56.846 58.000 -0.626 0.000 0.964 51 F CB 2.236 40.595 39.000 -1.069 0.000 1.136 51 F HN 0.379 nan 8.300 nan 0.000 0.447 52 T N 4.689 119.150 114.554 -0.156 0.000 2.916 52 T HA 0.533 4.882 4.350 -0.000 0.000 0.298 52 T C -2.793 171.884 174.700 -0.039 0.000 1.031 52 T CA -1.800 60.168 62.100 -0.220 0.000 0.993 52 T CB 1.612 70.389 68.868 -0.150 0.000 1.045 52 T HN 0.344 nan 8.240 nan 0.000 0.454 53 P HA 0.449 nan 4.420 nan 0.000 0.276 53 P C -2.820 174.509 177.300 0.048 0.000 1.261 53 P CA -1.550 61.509 63.100 -0.068 0.000 0.800 53 P CB -0.524 30.989 31.700 -0.311 0.000 1.066 54 P HA 0.197 nan 4.420 nan 0.000 0.271 54 P C 0.353 177.656 177.300 0.007 0.000 1.216 54 P CA -0.039 63.085 63.100 0.040 0.000 0.771 54 P CB 0.250 31.950 31.700 -0.000 0.000 0.864 55 R N 3.242 123.705 120.500 -0.062 0.000 4.980 55 R HA 0.098 4.438 4.340 -0.000 0.000 0.190 55 R C 0.407 176.314 176.300 -0.654 0.000 2.095 55 R CA 0.518 56.520 56.100 -0.163 0.000 1.717 55 R CB -0.740 29.564 30.300 0.007 0.000 1.337 55 R HN 0.503 nan 8.270 nan 0.000 0.820 56 K N -0.501 119.385 120.400 -0.855 0.000 2.607 56 K HA 0.163 4.482 4.320 -0.000 0.000 0.287 56 K C -0.918 175.297 176.600 -0.642 0.000 0.996 56 K CA -0.533 55.202 56.287 -0.920 0.000 0.876 56 K CB 1.600 33.851 32.500 -0.415 0.000 1.496 56 K HN 0.095 nan 8.250 nan 0.000 0.415 57 T N -1.302 112.957 114.554 -0.492 0.000 2.948 57 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 57 T C -0.160 174.486 174.700 -0.089 0.000 1.019 57 T CA -0.539 61.468 62.100 -0.156 0.000 1.013 57 T CB 1.373 70.104 68.868 -0.228 0.000 1.117 57 T HN 0.607 nan 8.240 nan 0.000 0.533 58 S N 0.134 115.873 115.700 0.065 0.000 2.634 58 S HA 0.839 5.309 4.470 -0.000 0.000 0.296 58 S C -0.396 174.258 174.600 0.089 0.000 1.104 58 S CA -1.059 57.193 58.200 0.086 0.000 0.920 58 S CB 1.027 64.344 63.200 0.194 0.000 1.111 58 S HN 1.194 nan 8.310 nan 0.000 0.493 59 I N -2.150 118.478 120.570 0.096 0.000 3.145 59 I HA 0.947 5.117 4.170 -0.000 0.000 0.313 59 I C -0.362 175.815 176.117 0.100 0.000 1.122 59 I CA -1.702 59.618 61.300 0.034 0.000 0.987 59 I CB 1.589 39.567 38.000 -0.036 0.000 1.236 59 I HN 0.849 nan 8.210 nan 0.000 0.453 60 A N 2.918 125.654 122.820 -0.140 0.000 2.281 60 A HA 0.745 5.065 4.320 -0.000 0.000 0.329 60 A C -2.057 175.308 177.584 -0.366 0.000 1.122 60 A CA -1.811 50.033 52.037 -0.321 0.000 0.850 60 A CB 0.471 18.914 19.000 -0.928 0.000 1.207 60 A HN 0.673 nan 8.150 nan 0.000 0.495 61 P HA -0.258 nan 4.420 nan 0.000 0.216 61 P C 0.991 178.239 177.300 -0.087 0.000 1.167 61 P CA 2.517 65.584 63.100 -0.054 0.000 0.914 61 P CB -0.317 31.475 31.700 0.153 0.000 0.793 62 Y N -2.243 118.108 120.300 0.085 0.000 2.384 62 Y HA -0.100 4.450 4.550 -0.000 0.000 0.289 62 Y C 1.915 177.908 175.900 0.156 0.000 1.152 62 Y CA 1.346 59.491 58.100 0.076 0.000 1.258 62 Y CB -2.331 36.153 38.460 0.040 0.000 0.979 62 Y HN -0.109 nan 8.280 nan 0.000 0.549 63 T N 0.181 114.730 114.554 -0.009 0.000 3.010 63 T HA 0.144 4.494 4.350 -0.000 0.000 0.252 63 T C 2.243 177.011 174.700 0.112 0.000 1.047 63 T CA 0.851 63.019 62.100 0.114 0.000 1.140 63 T CB -0.433 68.410 68.868 -0.042 0.000 0.885 63 T HN 0.512 nan 8.240 nan 0.000 0.464 64 A N 1.107 123.946 122.820 0.032 0.000 2.032 64 A HA 0.092 4.411 4.320 -0.000 0.000 0.221 64 A C 2.054 179.705 177.584 0.111 0.000 1.165 64 A CA 1.713 53.784 52.037 0.057 0.000 0.645 64 A CB -0.717 18.299 19.000 0.026 0.000 0.807 64 A HN 0.509 nan 8.150 nan 0.000 0.453 65 G N -2.963 105.916 108.800 0.132 0.000 3.863 65 G HA2 0.308 4.268 3.960 -0.000 0.000 0.290 65 G HA3 0.308 4.268 3.960 -0.000 0.000 0.290 65 G C 0.644 175.550 174.900 0.010 0.000 1.018 65 G CA 0.194 45.385 45.100 0.151 0.000 0.824 65 G HN 0.291 nan 8.290 nan 0.000 0.507 66 F N 1.571 121.481 119.950 -0.067 0.000 2.202 66 F HA -0.059 4.468 4.527 -0.000 0.000 0.301 66 F C 2.433 178.086 175.800 -0.246 0.000 1.082 66 F CA 1.703 59.627 58.000 -0.127 0.000 1.313 66 F CB 0.283 39.221 39.000 -0.104 0.000 1.024 66 F HN 0.222 nan 8.300 nan 0.000 0.495 67 K N 0.176 120.447 120.400 -0.214 0.000 2.160 67 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 67 K C 2.053 178.421 176.600 -0.387 0.000 1.047 67 K CA 1.710 57.829 56.287 -0.279 0.000 0.930 67 K CB -0.330 32.144 32.500 -0.043 0.000 0.720 67 K HN 0.414 nan 8.250 nan 0.000 0.450 68 S N -0.216 115.124 115.700 -0.601 0.000 2.515 68 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 68 S C 1.768 176.084 174.600 -0.474 0.000 0.987 68 S CA 0.713 58.481 58.200 -0.721 0.000 0.936 68 S CB -0.084 62.296 63.200 -1.367 0.000 0.766 68 S HN 0.299 nan 8.310 nan 0.000 0.528 69 M N 0.484 119.742 119.600 -0.570 0.000 2.447 69 M HA 0.267 4.747 4.480 -0.000 0.000 0.266 69 M C 1.907 178.128 176.300 -0.131 0.000 1.120 69 M CA 0.799 55.810 55.300 -0.481 0.000 1.166 69 M CB -0.308 31.780 32.600 -0.855 0.000 1.349 69 M HN 0.281 nan 8.290 nan 0.000 0.463 70 I N -0.777 119.535 120.570 -0.429 0.000 2.179 70 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 70 I C 1.252 177.189 176.117 -0.301 0.000 1.088 70 I CA 1.494 62.559 61.300 -0.392 0.000 1.357 70 I CB -0.313 37.276 38.000 -0.686 0.000 1.051 70 I HN 0.234 nan 8.210 nan 0.000 0.409 71 Y N 0.769 121.019 120.300 -0.084 0.000 2.495 71 Y HA 0.215 4.764 4.550 -0.000 0.000 0.293 71 Y C 1.455 177.340 175.900 -0.024 0.000 1.186 71 Y CA -0.646 57.426 58.100 -0.046 0.000 1.266 71 Y CB -0.640 37.785 38.460 -0.057 0.000 1.101 71 Y HN -0.041 nan 8.280 nan 0.000 0.517 72 S N 1.436 117.204 115.700 0.113 0.000 2.563 72 S HA -0.075 4.395 4.470 -0.000 0.000 0.284 72 S C 1.291 175.973 174.600 0.136 0.000 1.331 72 S CA -0.053 58.206 58.200 0.098 0.000 1.047 72 S CB 0.463 63.733 63.200 0.118 0.000 0.859 72 S HN 0.605 nan 8.310 nan 0.000 0.514 73 D N 3.723 124.179 120.400 0.094 0.000 2.340 73 D HA -0.031 4.609 4.640 -0.000 0.000 0.220 73 D C 1.358 177.739 176.300 0.135 0.000 1.039 73 D CA 0.255 54.297 54.000 0.071 0.000 0.866 73 D CB -0.091 40.720 40.800 0.018 0.000 0.913 73 D HN 0.530 nan 8.370 nan 0.000 0.523 74 L N -0.152 121.212 121.223 0.236 0.000 2.592 74 L HA 0.143 4.482 4.340 -0.000 0.000 0.227 74 L C 0.946 178.098 176.870 0.470 0.000 1.127 74 L CA -0.501 54.579 54.840 0.400 0.000 0.884 74 L CB 0.038 42.275 42.059 0.296 0.000 1.065 74 L HN -0.166 nan 8.230 nan 0.000 0.457 75 R N 1.883 122.617 120.500 0.391 0.000 2.502 75 R HA 0.041 4.380 4.340 -0.000 0.000 0.292 75 R C -0.161 176.198 176.300 0.099 0.000 0.998 75 R CA 0.181 56.404 56.100 0.205 0.000 1.056 75 R CB -0.176 30.175 30.300 0.084 0.000 0.939 75 R HN 0.072 nan 8.270 nan 0.000 0.411 76 I N 9.122 129.698 120.570 0.010 0.000 2.742 76 I HA -0.028 4.142 4.170 -0.000 0.000 0.287 76 I C -1.055 174.974 176.117 -0.146 0.000 1.186 76 I CA -0.901 60.374 61.300 -0.042 0.000 1.417 76 I CB 0.772 38.709 38.000 -0.105 0.000 1.377 76 I HN 0.666 nan 8.210 nan 0.000 0.556 77 P HA -0.080 nan 4.420 nan 0.000 0.220 77 P C -0.608 176.517 177.300 -0.292 0.000 1.152 77 P CA 1.446 64.316 63.100 -0.384 0.000 0.812 77 P CB 0.292 31.587 31.700 -0.675 0.000 0.792 78 Y N -5.899 114.362 120.300 -0.065 0.000 2.851 78 Y HA 0.562 5.112 4.550 -0.000 0.000 0.359 78 Y C -3.253 172.480 175.900 -0.280 0.000 1.231 78 Y CA -3.596 54.410 58.100 -0.156 0.000 1.106 78 Y CB -0.930 37.460 38.460 -0.117 0.000 1.409 78 Y HN -0.385 nan 8.280 nan 0.000 0.454 79 P HA 0.151 nan 4.420 nan 0.000 0.261 79 P C -0.727 176.542 177.300 -0.051 0.000 1.183 79 P CA 0.872 63.748 63.100 -0.372 0.000 0.761 79 P CB 0.271 31.595 31.700 -0.627 0.000 0.785 80 M N 2.918 122.471 119.600 -0.079 0.000 2.724 80 M HA 0.523 5.003 4.480 -0.000 0.000 0.310 80 M C 0.040 176.390 176.300 0.083 0.000 1.217 80 M CA -0.631 54.692 55.300 0.038 0.000 0.894 80 M CB 2.547 35.106 32.600 -0.068 0.000 1.719 80 M HN 0.105 nan 8.290 nan 0.000 0.479 81 K N 0.882 121.432 120.400 0.250 0.000 2.525 81 K HA 0.439 4.759 4.320 -0.000 0.000 0.254 81 K C -1.400 175.429 176.600 0.381 0.000 0.934 81 K CA -0.804 55.658 56.287 0.292 0.000 0.802 81 K CB 2.314 34.940 32.500 0.210 0.000 1.295 81 K HN 0.715 nan 8.250 nan 0.000 0.433 82 R N 3.533 124.221 120.500 0.313 0.000 2.351 82 R HA 0.061 4.401 4.340 -0.000 0.000 0.318 82 R C 0.388 176.753 176.300 0.107 0.000 1.055 82 R CA 0.313 56.430 56.100 0.030 0.000 0.968 82 R CB 0.529 30.838 30.300 0.015 0.000 0.974 82 R HN 0.664 nan 8.270 nan 0.000 0.439 83 K N 1.376 121.783 120.400 0.011 0.000 2.103 83 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 83 K C 1.617 178.251 176.600 0.056 0.000 1.048 83 K CA 1.994 58.306 56.287 0.043 0.000 0.930 83 K CB 0.031 32.535 32.500 0.006 0.000 0.716 83 K HN 0.669 nan 8.250 nan 0.000 0.444 84 S N 0.377 116.104 115.700 0.045 0.000 2.607 84 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 84 S C 0.336 175.017 174.600 0.134 0.000 0.969 84 S CA -0.188 58.050 58.200 0.062 0.000 0.927 84 S CB -0.349 62.874 63.200 0.037 0.000 0.772 84 S HN 0.229 nan 8.310 nan 0.000 0.533 85 F N 2.987 122.955 119.950 0.031 0.000 2.361 85 F HA 0.541 5.068 4.527 -0.000 0.000 0.364 85 F C -0.634 175.208 175.800 0.071 0.000 1.120 85 F CA -1.456 56.587 58.000 0.072 0.000 1.102 85 F CB 0.935 40.005 39.000 0.116 0.000 1.183 85 F HN -0.011 nan 8.300 nan 0.000 0.476 86 D N 8.743 128.812 120.400 -0.552 0.000 2.461 86 D HA 0.392 5.032 4.640 -0.000 0.000 0.240 86 D C -2.016 173.873 176.300 -0.685 0.000 1.094 86 D CA -2.488 51.228 54.000 -0.473 0.000 0.868 86 D CB 1.832 42.507 40.800 -0.209 0.000 1.062 86 D HN 0.203 nan 8.370 nan 0.000 0.530 87 P HA -0.169 nan 4.420 nan 0.000 0.220 87 P C -0.174 176.975 177.300 -0.251 0.000 1.155 87 P CA 1.341 64.143 63.100 -0.496 0.000 0.880 87 P CB 0.146 31.722 31.700 -0.206 0.000 0.790 88 N N -1.595 116.997 118.700 -0.181 0.000 2.320 88 N HA 0.337 5.077 4.740 -0.000 0.000 0.237 88 N C 0.572 176.029 175.510 -0.089 0.000 1.129 88 N CA 0.068 53.058 53.050 -0.100 0.000 0.854 88 N CB 0.649 39.098 38.487 -0.062 0.000 1.083 88 N HN 0.150 nan 8.380 nan 0.000 0.504 89 G N -0.771 107.954 108.800 -0.124 0.000 2.791 89 G HA2 0.121 4.081 3.960 -0.000 0.000 0.158 89 G HA3 0.121 4.081 3.960 -0.000 0.000 0.158 89 G C -1.289 173.558 174.900 -0.088 0.000 1.193 89 G CA -0.533 44.516 45.100 -0.085 0.000 1.032 89 G HN -0.072 nan 8.290 nan 0.000 0.557 90 E N 1.124 121.284 120.200 -0.067 0.000 2.351 90 E HA 0.192 4.542 4.350 -0.000 0.000 0.266 90 E C 1.004 177.565 176.600 -0.065 0.000 1.031 90 E CA -0.026 56.351 56.400 -0.038 0.000 0.911 90 E CB 1.299 30.991 29.700 -0.013 0.000 0.986 90 E HN 0.440 nan 8.360 nan 0.000 0.446 91 R N 2.162 122.655 120.500 -0.011 0.000 2.223 91 R HA 0.045 4.385 4.340 -0.000 0.000 0.198 91 R C -0.162 176.265 176.300 0.211 0.000 0.984 91 R CA -0.230 55.910 56.100 0.067 0.000 1.018 91 R CB 0.093 30.514 30.300 0.201 0.000 0.945 91 R HN 0.459 nan 8.270 nan 0.000 0.479 92 N N 1.080 119.857 118.700 0.129 0.000 2.650 92 N HA -0.117 4.623 4.740 -0.000 0.000 0.272 92 N C -2.257 173.349 175.510 0.160 0.000 1.058 92 N CA 0.388 53.510 53.050 0.121 0.000 0.765 92 N CB -0.565 37.978 38.487 0.093 0.000 0.902 92 N HN 0.198 nan 8.380 nan 0.000 0.551 93 P HA -0.164 nan 4.420 nan 0.000 0.220 93 P C 1.702 179.089 177.300 0.146 0.000 1.148 93 P CA 1.018 64.223 63.100 0.176 0.000 0.803 93 P CB 0.195 31.989 31.700 0.157 0.000 0.782 94 Q N -0.209 119.655 119.800 0.108 0.000 2.488 94 Q HA -0.056 4.284 4.340 -0.000 0.000 0.211 94 Q C 1.277 177.332 176.000 0.091 0.000 0.967 94 Q CA 1.172 57.031 55.803 0.093 0.000 0.926 94 Q CB -0.842 27.934 28.738 0.063 0.000 0.992 94 Q HN 0.338 nan 8.270 nan 0.000 0.506 95 L N 0.662 121.937 121.223 0.088 0.000 2.640 95 L HA 0.286 4.626 4.340 -0.000 0.000 0.230 95 L C 0.555 177.444 176.870 0.031 0.000 1.123 95 L CA -0.348 54.523 54.840 0.052 0.000 0.900 95 L CB 0.258 42.338 42.059 0.036 0.000 1.146 95 L HN -0.022 nan 8.230 nan 0.000 0.484 96 R N 0.601 121.153 120.500 0.086 0.000 2.489 96 R HA 0.249 4.589 4.340 -0.000 0.000 0.287 96 R C 1.211 177.514 176.300 0.005 0.000 1.053 96 R CA 0.769 56.911 56.100 0.071 0.000 1.036 96 R CB 0.374 30.796 30.300 0.204 0.000 0.966 96 R HN 0.280 nan 8.270 nan 0.000 0.432 97 G N 1.619 110.258 108.800 -0.270 0.000 2.205 97 G HA2 -0.421 3.538 3.960 -0.000 0.000 0.261 97 G HA3 -0.421 3.538 3.960 -0.000 0.000 0.261 97 G C 1.038 175.771 174.900 -0.279 0.000 0.980 97 G CA 0.525 45.270 45.100 -0.593 0.000 0.632 97 G HN 0.741 nan 8.290 nan 0.000 0.533 98 A N 0.475 123.210 122.820 -0.140 0.000 1.869 98 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 98 A C 2.978 180.506 177.584 -0.093 0.000 1.203 98 A CA 2.821 54.810 52.037 -0.079 0.000 0.638 98 A CB -1.328 17.640 19.000 -0.054 0.000 0.831 98 A HN 1.785 nan 8.150 nan 0.000 0.450 99 G N -1.041 107.688 108.800 -0.117 0.000 2.485 99 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.221 99 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.221 99 G C 1.385 176.236 174.900 -0.081 0.000 1.115 99 G CA 1.247 46.301 45.100 -0.077 0.000 0.751 99 G HN 0.458 nan 8.290 nan 0.000 0.567 100 L N 0.621 121.749 121.223 -0.159 0.000 2.313 100 L HA 0.208 4.548 4.340 -0.000 0.000 0.214 100 L C 2.701 179.496 176.870 -0.126 0.000 1.119 100 L CA 1.376 56.106 54.840 -0.182 0.000 0.809 100 L CB -0.113 41.745 42.059 -0.336 0.000 0.933 100 L HN 0.121 nan 8.230 nan 0.000 0.449 101 S N -0.324 115.325 115.700 -0.085 0.000 2.436 101 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 101 S C 1.383 175.970 174.600 -0.022 0.000 1.014 101 S CA 0.883 59.064 58.200 -0.031 0.000 0.950 101 S CB -0.117 63.084 63.200 0.001 0.000 0.784 101 S HN 0.582 nan 8.310 nan 0.000 0.504 102 K N 0.821 121.206 120.400 -0.026 0.000 2.570 102 K HA 0.294 4.613 4.320 -0.000 0.000 0.210 102 K C -0.552 176.044 176.600 -0.007 0.000 1.048 102 K CA -0.148 56.133 56.287 -0.009 0.000 1.167 102 K CB 0.054 32.552 32.500 -0.004 0.000 0.892 102 K HN -0.161 nan 8.250 nan 0.000 0.480 103 Q N 1.276 121.062 119.800 -0.023 0.000 2.434 103 Q HA -0.211 4.129 4.340 -0.000 0.000 0.299 103 Q C -1.086 174.927 176.000 0.022 0.000 1.286 103 Q CA 1.604 57.397 55.803 -0.017 0.000 0.872 103 Q CB -1.701 27.031 28.738 -0.011 0.000 1.193 103 Q HN 0.689 nan 8.270 nan 0.000 0.466 104 D N -2.748 117.670 120.400 0.030 0.000 2.978 104 D HA 0.270 4.910 4.640 -0.000 0.000 0.268 104 D C -2.218 174.144 176.300 0.103 0.000 1.252 104 D CA -1.679 52.371 54.000 0.084 0.000 0.771 104 D CB 0.859 41.700 40.800 0.067 0.000 1.361 104 D HN -0.129 nan 8.370 nan 0.000 0.558 105 P HA -0.129 nan 4.420 nan 0.000 0.215 105 P C 1.183 178.652 177.300 0.283 0.000 1.163 105 P CA 1.323 64.501 63.100 0.131 0.000 0.894 105 P CB 0.043 31.799 31.700 0.093 0.000 0.791 106 W N 0.368 121.802 121.300 0.223 0.000 2.342 106 W HA -0.176 4.484 4.660 -0.000 0.000 0.297 106 W C 2.739 179.298 176.519 0.066 0.000 1.213 106 W CA 1.782 59.145 57.345 0.029 0.000 1.251 106 W CB -1.590 27.779 29.460 -0.151 0.000 1.136 106 W HN -0.001 nan 8.180 nan 0.000 0.526 107 S N -0.612 115.241 115.700 0.256 0.000 2.462 107 S HA -0.241 4.229 4.470 -0.000 0.000 0.243 107 S C 1.416 176.041 174.600 0.041 0.000 1.003 107 S CA 1.709 59.984 58.200 0.125 0.000 0.970 107 S CB -0.476 62.770 63.200 0.076 0.000 0.762 107 S HN 0.212 nan 8.310 nan 0.000 0.510 108 D N 0.221 120.604 120.400 -0.028 0.000 2.317 108 D HA 0.127 4.767 4.640 -0.000 0.000 0.211 108 D C -0.451 175.542 176.300 -0.513 0.000 0.966 108 D CA 0.611 54.415 54.000 -0.326 0.000 0.876 108 D CB 0.087 40.542 40.800 -0.575 0.000 0.927 108 D HN 0.547 nan 8.370 nan 0.000 0.519 109 Y N 0.431 120.786 120.300 0.090 0.000 2.468 109 Y HA 0.299 4.848 4.550 -0.000 0.000 0.342 109 Y C 0.588 176.547 175.900 0.098 0.000 1.021 109 Y CA -1.153 57.001 58.100 0.090 0.000 1.079 109 Y CB 1.351 39.864 38.460 0.088 0.000 1.226 109 Y HN -0.214 nan 8.280 nan 0.000 0.460 110 E N 1.598 121.944 120.200 0.245 0.000 2.249 110 E HA 0.583 4.933 4.350 -0.000 0.000 0.263 110 E C -1.053 175.657 176.600 0.184 0.000 0.950 110 E CA -1.399 55.102 56.400 0.169 0.000 0.827 110 E CB 2.157 31.919 29.700 0.104 0.000 1.220 110 E HN 0.601 nan 8.360 nan 0.000 0.411 111 R N 1.294 121.865 120.500 0.118 0.000 2.500 111 R HA 0.550 4.889 4.340 -0.000 0.000 0.275 111 R C -0.297 175.991 176.300 -0.021 0.000 1.051 111 R CA -0.388 55.743 56.100 0.052 0.000 1.088 111 R CB 0.613 30.781 30.300 -0.220 0.000 1.063 111 R HN 0.729 nan 8.270 nan 0.000 0.511 112 I N -1.149 119.391 120.570 -0.049 0.000 3.181 112 I HA 0.435 4.604 4.170 -0.000 0.000 0.311 112 I C -0.735 175.315 176.117 -0.111 0.000 1.287 112 I CA -1.168 60.097 61.300 -0.058 0.000 0.958 112 I CB 2.249 40.242 38.000 -0.011 0.000 1.294 112 I HN 0.716 nan 8.210 nan 0.000 0.467 113 S N 0.828 116.486 115.700 -0.071 0.000 2.652 113 S HA 0.331 4.801 4.470 -0.000 0.000 0.270 113 S C 0.201 174.776 174.600 -0.042 0.000 1.243 113 S CA -0.447 57.725 58.200 -0.047 0.000 0.999 113 S CB 0.948 64.162 63.200 0.023 0.000 0.973 113 S HN 0.870 nan 8.310 nan 0.000 0.544 114 W N 0.508 121.804 121.300 -0.007 0.000 2.363 114 W HA -0.051 4.608 4.660 -0.000 0.000 0.296 114 W C 2.163 178.648 176.519 -0.056 0.000 1.212 114 W CA 1.427 58.752 57.345 -0.032 0.000 1.260 114 W CB -0.386 29.049 29.460 -0.040 0.000 1.131 114 W HN 0.890 nan 8.180 nan 0.000 0.530 115 D N 0.017 120.532 120.400 0.192 0.000 2.117 115 D HA -0.246 4.394 4.640 -0.000 0.000 0.197 115 D C 1.939 178.278 176.300 0.064 0.000 0.987 115 D CA 1.718 55.777 54.000 0.098 0.000 0.829 115 D CB -0.140 40.706 40.800 0.076 0.000 0.961 115 D HN 0.206 nan 8.370 nan 0.000 0.460 116 E N -0.843 119.390 120.200 0.054 0.000 2.158 116 E HA -0.066 4.283 4.350 -0.000 0.000 0.191 116 E C 1.943 178.576 176.600 0.056 0.000 0.982 116 E CA 0.638 57.066 56.400 0.046 0.000 0.823 116 E CB -0.054 29.667 29.700 0.035 0.000 0.766 116 E HN 0.297 nan 8.360 nan 0.000 0.468 117 A N 0.797 123.640 122.820 0.038 0.000 1.858 117 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 117 A C 2.471 180.112 177.584 0.096 0.000 1.190 117 A CA 2.422 54.485 52.037 0.044 0.000 0.617 117 A CB -1.307 17.653 19.000 -0.067 0.000 0.827 117 A HN 0.485 nan 8.150 nan 0.000 0.443 118 T N -2.509 112.072 114.554 0.045 0.000 2.915 118 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 118 T C 1.280 176.021 174.700 0.068 0.000 1.071 118 T CA 1.617 63.671 62.100 -0.077 0.000 1.132 118 T CB -0.460 68.148 68.868 -0.433 0.000 0.878 118 T HN 0.321 nan 8.240 nan 0.000 0.479 119 D N 1.253 121.692 120.400 0.066 0.000 2.144 119 D HA 0.076 4.715 4.640 -0.000 0.000 0.200 119 D C 1.977 178.336 176.300 0.098 0.000 0.978 119 D CA 0.658 54.707 54.000 0.081 0.000 0.833 119 D CB -0.296 40.539 40.800 0.059 0.000 0.961 119 D HN 0.459 nan 8.370 nan 0.000 0.470 120 I N 0.038 120.670 120.570 0.103 0.000 2.252 120 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 120 I C 2.252 178.393 176.117 0.041 0.000 1.102 120 I CA 0.543 61.887 61.300 0.073 0.000 1.385 120 I CB -0.081 37.996 38.000 0.128 0.000 1.064 120 I HN -0.099 nan 8.210 nan 0.000 0.414 121 V N 0.304 120.338 119.914 0.199 0.000 2.358 121 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 121 V C 2.438 178.682 176.094 0.251 0.000 1.047 121 V CA 1.364 63.827 62.300 0.272 0.000 1.035 121 V CB -0.427 31.628 31.823 0.388 0.000 0.658 121 V HN 0.230 nan 8.190 nan 0.000 0.452 122 V N 0.459 120.568 119.914 0.325 0.000 2.343 122 V HA -0.256 3.863 4.120 -0.000 0.000 0.247 122 V C 2.729 178.913 176.094 0.150 0.000 1.051 122 V CA 2.010 64.480 62.300 0.282 0.000 1.036 122 V CB -1.116 30.871 31.823 0.272 0.000 0.654 122 V HN 0.557 nan 8.190 nan 0.000 0.451 123 A N -0.604 122.270 122.820 0.091 0.000 1.902 123 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 123 A C 2.235 179.827 177.584 0.013 0.000 1.181 123 A CA 1.649 53.710 52.037 0.039 0.000 0.623 123 A CB -0.382 18.625 19.000 0.011 0.000 0.818 123 A HN 0.514 nan 8.150 nan 0.000 0.443 124 E N -0.016 120.155 120.200 -0.048 0.000 2.028 124 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 124 E C 2.045 178.702 176.600 0.095 0.000 0.988 124 E CA 1.062 57.424 56.400 -0.064 0.000 0.799 124 E CB -0.497 28.985 29.700 -0.363 0.000 0.755 124 E HN 0.693 nan 8.360 nan 0.000 0.447 125 I N 1.943 122.604 120.570 0.152 0.000 2.145 125 I HA -0.341 3.829 4.170 -0.000 0.000 0.244 125 I C 1.994 178.187 176.117 0.127 0.000 1.075 125 I CA 1.230 62.649 61.300 0.198 0.000 1.332 125 I CB -0.333 37.810 38.000 0.239 0.000 1.033 125 I HN 0.074 nan 8.210 nan 0.000 0.410 126 N N 0.303 119.048 118.700 0.074 0.000 2.270 126 N HA -0.154 4.586 4.740 -0.000 0.000 0.181 126 N C 1.853 177.351 175.510 -0.020 0.000 1.016 126 N CA 0.860 53.896 53.050 -0.024 0.000 0.870 126 N CB -0.405 38.058 38.487 -0.040 0.000 0.979 126 N HN 0.372 nan 8.380 nan 0.000 0.431 127 R N 1.012 121.540 120.500 0.048 0.000 2.081 127 R HA 0.031 4.371 4.340 -0.000 0.000 0.235 127 R C 2.010 178.370 176.300 0.100 0.000 1.131 127 R CA 0.913 57.056 56.100 0.072 0.000 0.960 127 R CB -0.167 30.175 30.300 0.071 0.000 0.856 127 R HN 0.144 nan 8.270 nan 0.000 0.436 128 I N 0.711 121.372 120.570 0.152 0.000 2.286 128 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 128 I C 2.189 178.431 176.117 0.209 0.000 1.104 128 I CA 1.230 62.679 61.300 0.248 0.000 1.397 128 I CB -0.151 38.039 38.000 0.317 0.000 1.072 128 I HN 0.154 nan 8.210 nan 0.000 0.417 129 K N -0.150 120.339 120.400 0.149 0.000 2.103 129 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 129 K C 1.863 178.561 176.600 0.163 0.000 1.048 129 K CA 1.394 57.759 56.287 0.130 0.000 0.930 129 K CB -0.239 32.291 32.500 0.049 0.000 0.716 129 K HN 0.499 nan 8.250 nan 0.000 0.444 130 H N -1.495 117.599 119.070 0.040 0.000 2.548 130 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 130 H C 1.534 176.817 175.328 -0.075 0.000 0.975 130 H CA 0.275 56.321 56.048 -0.003 0.000 1.195 130 H CB 0.513 30.276 29.762 0.002 0.000 1.397 130 H HN 0.228 nan 8.280 nan 0.000 0.572 131 A N -0.431 122.363 122.820 -0.044 0.000 2.108 131 A HA 0.071 4.390 4.320 -0.000 0.000 0.206 131 A C 0.703 177.943 177.584 -0.574 0.000 1.212 131 A CA 0.195 51.999 52.037 -0.389 0.000 0.843 131 A CB 0.287 18.910 19.000 -0.629 0.000 0.902 131 A HN 0.288 nan 8.150 nan 0.000 0.477 132 Y N -1.157 119.221 120.300 0.130 0.000 2.476 132 Y HA 0.453 5.003 4.550 -0.000 0.000 0.261 132 Y C 1.177 177.160 175.900 0.139 0.000 1.077 132 Y CA -0.268 57.907 58.100 0.125 0.000 1.240 132 Y CB 0.374 38.913 38.460 0.132 0.000 1.317 132 Y HN 0.514 nan 8.280 nan 0.000 0.540 133 G N 0.896 109.849 108.800 0.255 0.000 2.707 133 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 133 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 133 G C -2.286 172.754 174.900 0.232 0.000 1.315 133 G CA -0.639 44.595 45.100 0.223 0.000 0.832 133 G HN -0.047 nan 8.290 nan 0.000 0.573 134 P HA -0.096 nan 4.420 nan 0.000 0.217 134 P C 2.153 179.567 177.300 0.189 0.000 1.148 134 P CA 2.367 65.576 63.100 0.182 0.000 0.828 134 P CB -0.039 31.744 31.700 0.138 0.000 0.783 135 S N -0.925 114.889 115.700 0.189 0.000 2.507 135 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 135 S C 1.900 176.611 174.600 0.184 0.000 0.988 135 S CA 0.866 59.150 58.200 0.140 0.000 0.944 135 S CB -1.126 62.169 63.200 0.158 0.000 0.762 135 S HN 0.119 nan 8.310 nan 0.000 0.526 136 A N 1.154 124.110 122.820 0.226 0.000 2.119 136 A HA 0.387 4.707 4.320 -0.000 0.000 0.216 136 A C 0.984 178.703 177.584 0.225 0.000 1.152 136 A CA 0.148 52.313 52.037 0.214 0.000 0.708 136 A CB -0.466 18.696 19.000 0.270 0.000 0.805 136 A HN 0.634 nan 8.150 nan 0.000 0.460 137 I N 1.552 122.279 120.570 0.261 0.000 2.269 137 I HA 0.198 4.368 4.170 -0.000 0.000 0.293 137 I C -0.370 175.952 176.117 0.341 0.000 1.106 137 I CA -0.557 60.936 61.300 0.322 0.000 1.248 137 I CB 0.741 38.957 38.000 0.359 0.000 1.444 137 I HN 0.162 nan 8.210 nan 0.000 0.497 138 L N 6.309 127.702 121.223 0.283 0.000 2.371 138 L HA 0.536 4.875 4.340 -0.000 0.000 0.272 138 L C 0.067 177.240 176.870 0.503 0.000 1.124 138 L CA 0.790 55.763 54.840 0.221 0.000 0.816 138 L CB 1.362 43.321 42.059 -0.167 0.000 1.129 138 L HN 0.605 nan 8.230 nan 0.000 0.448 139 S N 2.781 118.823 115.700 0.569 0.000 2.547 139 S HA 0.781 5.251 4.470 -0.000 0.000 0.270 139 S C -1.061 173.930 174.600 0.651 0.000 1.150 139 S CA -0.098 58.511 58.200 0.682 0.000 0.850 139 S CB 1.416 64.880 63.200 0.441 0.000 1.118 139 S HN 1.041 nan 8.310 nan 0.000 0.461 140 T N 3.740 118.628 114.554 0.556 0.000 3.559 140 T HA 0.508 4.857 4.350 -0.000 0.000 0.391 140 T C -2.989 171.805 174.700 0.157 0.000 1.522 140 T CA -0.705 61.612 62.100 0.362 0.000 1.159 140 T CB 1.608 70.647 68.868 0.285 0.000 1.384 140 T HN 0.467 nan 8.240 nan 0.000 0.475 141 P HA 0.675 nan 4.420 nan 0.000 0.325 141 P C -0.448 176.893 177.300 0.067 0.000 1.382 141 P CA -0.201 62.826 63.100 -0.122 0.000 0.863 141 P CB 0.859 32.176 31.700 -0.639 0.000 2.140 142 S N -2.430 113.294 115.700 0.039 0.000 2.705 142 S HA 0.288 4.758 4.470 -0.000 0.000 0.280 142 S C 1.261 175.793 174.600 -0.113 0.000 1.174 142 S CA -0.327 57.827 58.200 -0.078 0.000 0.823 142 S CB 0.890 64.052 63.200 -0.062 0.000 1.162 142 S HN 0.237 nan 8.310 nan 0.000 0.487 143 S N 1.083 116.622 115.700 -0.267 0.000 2.374 143 S HA -0.071 4.398 4.470 -0.000 0.000 0.227 143 S C 0.486 174.921 174.600 -0.276 0.000 1.037 143 S CA 1.398 59.467 58.200 -0.220 0.000 1.024 143 S CB -0.328 62.699 63.200 -0.288 0.000 0.861 143 S HN 0.579 nan 8.310 nan 0.000 0.456 144 H N -0.586 118.568 119.070 0.141 0.000 2.651 144 H HA 0.563 5.119 4.556 -0.000 0.000 0.353 144 H C -0.281 175.131 175.328 0.142 0.000 1.178 144 H CA -0.368 55.822 56.048 0.236 0.000 1.224 144 H CB 1.326 31.255 29.762 0.278 0.000 1.702 144 H HN 0.217 nan 8.280 nan 0.000 0.550 145 H N 0.919 120.025 119.070 0.060 0.000 3.017 145 H HA 0.131 4.686 4.556 -0.000 0.000 0.346 145 H C -0.475 174.806 175.328 -0.078 0.000 1.286 145 H CA -0.693 55.227 56.048 -0.214 0.000 1.120 145 H CB 1.799 31.036 29.762 -0.875 0.000 1.860 145 H HN 0.384 nan 8.280 nan 0.000 0.542 146 M N 1.720 121.178 119.600 -0.236 0.000 2.250 146 M HA -0.131 4.349 4.480 -0.000 0.000 0.337 146 M C 0.753 177.236 176.300 0.304 0.000 1.161 146 M CA 0.563 55.906 55.300 0.071 0.000 1.088 146 M CB -0.294 32.297 32.600 -0.016 0.000 1.639 146 M HN 0.438 nan 8.290 nan 0.000 0.447 147 W N 2.245 123.593 121.300 0.079 0.000 2.148 147 W HA 0.316 4.975 4.660 -0.000 0.000 0.347 147 W C 0.311 176.933 176.519 0.170 0.000 1.288 147 W CA 0.671 58.099 57.345 0.138 0.000 1.252 147 W CB 0.909 30.392 29.460 0.037 0.000 1.156 147 W HN 0.764 nan 8.180 nan 0.000 0.580 148 G N 3.470 112.206 108.800 -0.108 0.000 2.661 148 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.262 148 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.262 148 G C -0.111 174.769 174.900 -0.034 0.000 1.310 148 G CA -0.547 44.532 45.100 -0.035 0.000 1.160 148 G HN 0.519 nan 8.290 nan 0.000 0.598 149 N N 0.409 119.008 118.700 -0.169 0.000 2.043 149 N HA -0.131 4.609 4.740 -0.000 0.000 0.193 149 N C 2.623 178.066 175.510 -0.110 0.000 1.037 149 N CA 1.812 54.757 53.050 -0.177 0.000 0.851 149 N CB -0.119 38.176 38.487 -0.320 0.000 1.027 149 N HN 0.494 nan 8.380 nan 0.000 0.422 150 V N 0.044 119.839 119.914 -0.199 0.000 2.407 150 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 150 V C 2.155 178.268 176.094 0.031 0.000 1.055 150 V CA 1.994 64.232 62.300 -0.102 0.000 1.049 150 V CB -1.089 30.671 31.823 -0.106 0.000 0.662 150 V HN 0.446 nan 8.190 nan 0.000 0.455 151 G N -2.491 106.357 108.800 0.080 0.000 2.712 151 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.212 151 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.212 151 G C 0.506 175.452 174.900 0.075 0.000 1.142 151 G CA -0.216 44.977 45.100 0.155 0.000 0.789 151 G HN 0.455 nan 8.290 nan 0.000 0.535 152 Y N 1.565 121.783 120.300 -0.136 0.000 2.607 152 Y HA 0.016 4.566 4.550 -0.000 0.000 0.348 152 Y C 2.417 178.060 175.900 -0.428 0.000 1.261 152 Y CA 0.287 58.136 58.100 -0.417 0.000 1.480 152 Y CB 0.754 39.099 38.460 -0.192 0.000 1.358 152 Y HN 0.221 nan 8.280 nan 0.000 0.630 153 R N 1.430 121.527 120.500 -0.671 0.000 2.159 153 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 153 R C 1.121 177.222 176.300 -0.330 0.000 1.131 153 R CA 2.059 57.839 56.100 -0.533 0.000 0.982 153 R CB -0.609 29.262 30.300 -0.715 0.000 0.868 153 R HN 0.747 nan 8.270 nan 0.000 0.453 154 H N 0.065 119.205 119.070 0.117 0.000 2.462 154 H HA 0.030 4.585 4.556 -0.000 0.000 0.292 154 H C 1.879 177.403 175.328 0.326 0.000 1.049 154 H CA 1.425 57.657 56.048 0.307 0.000 1.334 154 H CB 0.312 30.300 29.762 0.378 0.000 1.404 154 H HN 0.360 nan 8.280 nan 0.000 0.544 155 S N -0.197 115.690 115.700 0.311 0.000 2.338 155 S HA -0.065 4.405 4.470 -0.000 0.000 0.197 155 S C 2.203 176.914 174.600 0.184 0.000 0.990 155 S CA 1.106 59.447 58.200 0.234 0.000 0.920 155 S CB -0.278 63.027 63.200 0.174 0.000 0.903 155 S HN 0.273 nan 8.310 nan 0.000 0.542 156 T N 1.030 115.695 114.554 0.185 0.000 2.737 156 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 156 T C 1.597 176.425 174.700 0.214 0.000 1.038 156 T CA 1.723 64.003 62.100 0.300 0.000 1.144 156 T CB -0.696 68.437 68.868 0.442 0.000 0.866 156 T HN 0.529 nan 8.240 nan 0.000 0.434 157 Y N 1.069 121.333 120.300 -0.060 0.000 2.097 157 Y HA -0.162 4.388 4.550 -0.000 0.000 0.282 157 Y C 1.952 177.635 175.900 -0.360 0.000 1.152 157 Y CA 1.158 59.056 58.100 -0.337 0.000 1.136 157 Y CB -0.789 37.279 38.460 -0.655 0.000 0.975 157 Y HN 0.271 nan 8.280 nan 0.000 0.498 158 F N -0.050 119.745 119.950 -0.259 0.000 2.102 158 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 158 F C 2.821 178.457 175.800 -0.274 0.000 1.105 158 F CA 1.277 59.074 58.000 -0.339 0.000 1.239 158 F CB -0.384 38.543 39.000 -0.122 0.000 0.991 158 F HN -0.053 nan 8.300 nan 0.000 0.474 159 R N -0.061 120.500 120.500 0.101 0.000 2.117 159 R HA -0.254 4.086 4.340 -0.000 0.000 0.243 159 R C 2.158 178.482 176.300 0.041 0.000 1.143 159 R CA 1.943 58.112 56.100 0.115 0.000 0.968 159 R CB -0.520 29.915 30.300 0.225 0.000 0.863 159 R HN 0.344 nan 8.270 nan 0.000 0.444 160 F N 0.089 119.853 119.950 -0.310 0.000 2.179 160 F HA -0.052 4.475 4.527 -0.000 0.000 0.292 160 F C 2.020 177.379 175.800 -0.736 0.000 1.089 160 F CA 0.954 58.524 58.000 -0.718 0.000 1.295 160 F CB -0.050 38.095 39.000 -1.426 0.000 1.041 160 F HN -0.075 nan 8.300 nan 0.000 0.487 161 M N 0.588 119.616 119.600 -0.953 0.000 2.213 161 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 161 M C 1.702 177.626 176.300 -0.628 0.000 1.062 161 M CA 1.368 55.973 55.300 -1.158 0.000 1.105 161 M CB -1.832 29.623 32.600 -1.909 0.000 1.385 161 M HN 0.336 nan 8.290 nan 0.000 0.417 162 N N -0.105 118.401 118.700 -0.324 0.000 2.289 162 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 162 N C 1.432 176.853 175.510 -0.148 0.000 1.016 162 N CA 0.939 53.944 53.050 -0.075 0.000 0.872 162 N CB -0.032 38.402 38.487 -0.089 0.000 0.973 162 N HN 0.378 nan 8.380 nan 0.000 0.433 163 M N -0.607 118.809 119.600 -0.308 0.000 2.502 163 M HA 0.129 4.609 4.480 -0.000 0.000 0.243 163 M C 1.694 177.792 176.300 -0.337 0.000 1.130 163 M CA 0.307 55.442 55.300 -0.274 0.000 1.055 163 M CB 0.422 32.864 32.600 -0.263 0.000 1.457 163 M HN 0.208 nan 8.290 nan 0.000 0.488 164 M N -0.260 119.060 119.600 -0.467 0.000 2.906 164 M HA 0.254 4.734 4.480 -0.000 0.000 0.252 164 M C 1.038 177.278 176.300 -0.099 0.000 1.359 164 M CA 1.218 56.291 55.300 -0.378 0.000 1.239 164 M CB 0.088 32.269 32.600 -0.699 0.000 1.229 164 M HN 0.188 nan 8.290 nan 0.000 0.547 165 G N -0.374 108.440 108.800 0.024 0.000 3.356 165 G HA2 0.578 4.538 3.960 -0.000 0.000 0.178 165 G HA3 0.578 4.538 3.960 -0.000 0.000 0.178 165 G C -1.035 174.026 174.900 0.267 0.000 1.130 165 G CA -0.089 45.153 45.100 0.237 0.000 0.800 165 G HN 0.509 nan 8.290 nan 0.000 0.669 166 F N -2.858 117.067 119.950 -0.041 0.000 2.890 166 F HA 0.557 5.084 4.527 -0.000 0.000 0.326 166 F C -1.143 174.681 175.800 0.040 0.000 1.143 166 F CA -1.114 56.896 58.000 0.017 0.000 0.906 166 F CB 1.034 40.032 39.000 -0.004 0.000 1.303 166 F HN 0.390 nan 8.300 nan 0.000 0.447 167 T N 2.534 117.099 114.554 0.017 0.000 2.727 167 T HA 0.251 4.601 4.350 -0.000 0.000 0.298 167 T C -1.231 173.529 174.700 0.100 0.000 0.942 167 T CA -0.062 61.998 62.100 -0.066 0.000 0.997 167 T CB -0.052 68.841 68.868 0.041 0.000 0.917 167 T HN 0.538 nan 8.240 nan 0.000 0.487 168 Y N 2.882 123.057 120.300 -0.207 0.000 2.299 168 Y HA 0.492 5.042 4.550 -0.000 0.000 0.326 168 Y C 0.131 176.090 175.900 0.098 0.000 1.164 168 Y CA -1.768 56.385 58.100 0.088 0.000 1.234 168 Y CB 0.694 39.165 38.460 0.018 0.000 1.219 168 Y HN 0.641 nan 8.280 nan 0.000 0.497 169 A N 5.970 128.580 122.820 -0.350 0.000 2.880 169 A HA 0.206 4.526 4.320 -0.000 0.000 0.328 169 A C -0.202 176.976 177.584 -0.677 0.000 1.440 169 A CA -0.656 51.167 52.037 -0.357 0.000 1.068 169 A CB -0.730 18.158 19.000 -0.187 0.000 1.163 169 A HN 0.787 nan 8.150 nan 0.000 0.510 170 D N 1.228 121.343 120.400 -0.475 0.000 2.443 170 D HA -0.000 4.640 4.640 -0.000 0.000 0.234 170 D C -0.118 176.080 176.300 -0.171 0.000 1.172 170 D CA 0.759 54.530 54.000 -0.382 0.000 0.878 170 D CB 0.443 41.283 40.800 0.066 0.000 1.204 170 D HN 0.548 nan 8.370 nan 0.000 0.453 171 H N 1.564 120.596 119.070 -0.063 0.000 2.487 171 H HA 0.159 4.715 4.556 -0.000 0.000 0.333 171 H C 0.383 175.895 175.328 0.307 0.000 1.114 171 H CA -0.604 55.486 56.048 0.070 0.000 1.310 171 H CB 0.574 30.389 29.762 0.088 0.000 1.462 171 H HN 0.380 nan 8.280 nan 0.000 0.516 172 N N 3.426 122.398 118.700 0.452 0.000 2.508 172 N HA 0.040 4.779 4.740 -0.000 0.000 0.264 172 N C -2.515 173.286 175.510 0.485 0.000 1.216 172 N CA -1.482 51.835 53.050 0.446 0.000 0.943 172 N CB 1.165 39.869 38.487 0.362 0.000 1.113 172 N HN 0.296 nan 8.380 nan 0.000 0.447 173 P HA 0.028 nan 4.420 nan 0.000 0.231 173 P C -0.020 177.398 177.300 0.197 0.000 1.756 173 P CA -0.191 62.766 63.100 -0.238 0.000 0.990 173 P CB -0.252 30.936 31.700 -0.854 0.000 1.973 174 D N 0.545 121.079 120.400 0.224 0.000 2.204 174 D HA -0.258 4.381 4.640 -0.000 0.000 0.189 174 D C 1.420 177.724 176.300 0.008 0.000 1.006 174 D CA 1.882 55.961 54.000 0.131 0.000 0.855 174 D CB -1.426 39.412 40.800 0.062 0.000 0.946 174 D HN 0.140 nan 8.370 nan 0.000 0.448 175 S N -1.117 114.428 115.700 -0.258 0.000 2.419 175 S HA -0.086 4.383 4.470 -0.000 0.000 0.233 175 S C 1.543 175.792 174.600 -0.586 0.000 1.016 175 S CA 1.060 58.746 58.200 -0.856 0.000 0.974 175 S CB -0.378 61.681 63.200 -1.903 0.000 0.786 175 S HN 0.463 nan 8.310 nan 0.000 0.492 176 W N 1.047 122.380 121.300 0.056 0.000 2.808 176 W HA 0.181 4.841 4.660 -0.000 0.000 0.266 176 W C 1.470 178.213 176.519 0.372 0.000 1.247 176 W CA -0.373 57.175 57.345 0.337 0.000 1.440 176 W CB -0.450 29.133 29.460 0.205 0.000 1.040 176 W HN 0.194 nan 8.180 nan 0.000 0.606 177 E N 0.398 120.889 120.200 0.485 0.000 2.884 177 E HA -0.330 4.020 4.350 -0.000 0.000 0.224 177 E C 1.949 178.868 176.600 0.531 0.000 0.921 177 E CA 2.689 59.395 56.400 0.510 0.000 1.498 177 E CB -1.666 28.264 29.700 0.383 0.000 1.476 177 E HN 0.352 nan 8.360 nan 0.000 0.464 178 G N -0.382 108.634 108.800 0.360 0.000 2.440 178 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 178 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 178 G C 1.360 176.298 174.900 0.063 0.000 1.154 178 G CA 1.080 46.267 45.100 0.145 0.000 0.767 178 G HN 0.350 nan 8.290 nan 0.000 0.552 179 W N -0.478 120.951 121.300 0.216 0.000 2.519 179 W HA 0.149 4.808 4.660 -0.000 0.000 0.266 179 W C 2.263 178.846 176.519 0.106 0.000 1.253 179 W CA 0.614 58.041 57.345 0.136 0.000 1.274 179 W CB -0.314 29.269 29.460 0.205 0.000 1.114 179 W HN 0.267 nan 8.180 nan 0.000 0.596 180 H N -1.294 117.919 119.070 0.238 0.000 2.306 180 H HA -0.100 4.456 4.556 -0.000 0.000 0.307 180 H C 1.034 176.265 175.328 -0.163 0.000 1.061 180 H CA 1.778 57.768 56.048 -0.096 0.000 1.359 180 H CB -0.763 28.810 29.762 -0.314 0.000 1.407 180 H HN 0.185 nan 8.280 nan 0.000 0.517 181 W N 0.605 122.087 121.300 0.303 0.000 3.180 181 W HA 0.205 4.865 4.660 -0.000 0.000 0.254 181 W C 1.928 178.580 176.519 0.222 0.000 1.318 181 W CA 0.436 57.933 57.345 0.253 0.000 1.608 181 W CB 0.275 29.903 29.460 0.281 0.000 1.124 181 W HN 0.296 nan 8.180 nan 0.000 0.694 182 G N -0.808 108.173 108.800 0.301 0.000 2.485 182 G HA2 0.130 4.090 3.960 -0.000 0.000 0.192 182 G HA3 0.130 4.090 3.960 -0.000 0.000 0.192 182 G C 1.563 176.485 174.900 0.036 0.000 1.368 182 G CA 0.288 45.501 45.100 0.187 0.000 0.685 182 G HN 0.120 nan 8.290 nan 0.000 0.608 183 G N 1.010 109.739 108.800 -0.118 0.000 2.475 183 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.220 183 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.220 183 G C 1.766 176.642 174.900 -0.040 0.000 1.125 183 G CA 1.353 46.317 45.100 -0.226 0.000 0.755 183 G HN 0.357 nan 8.290 nan 0.000 0.565 184 M N -0.028 119.563 119.600 -0.014 0.000 2.149 184 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 184 M C 2.208 178.423 176.300 -0.143 0.000 1.064 184 M CA 1.401 56.644 55.300 -0.095 0.000 1.102 184 M CB -0.250 32.104 32.600 -0.409 0.000 1.369 184 M HN 0.330 nan 8.290 nan 0.000 0.408 185 H N -1.262 117.806 119.070 -0.003 0.000 2.546 185 H HA -0.050 4.505 4.556 -0.000 0.000 0.277 185 H C 1.793 177.117 175.328 -0.006 0.000 1.004 185 H CA 1.209 57.253 56.048 -0.006 0.000 1.231 185 H CB -0.221 29.533 29.762 -0.013 0.000 1.382 185 H HN 0.527 nan 8.280 nan 0.000 0.580 186 M N -0.120 119.499 119.600 0.031 0.000 2.447 186 M HA -0.033 4.447 4.480 -0.000 0.000 0.266 186 M C 0.656 176.991 176.300 0.057 0.000 1.120 186 M CA 0.868 56.114 55.300 -0.089 0.000 1.166 186 M CB 0.532 32.898 32.600 -0.390 0.000 1.349 186 M HN 0.314 nan 8.290 nan 0.000 0.463 187 W N -0.676 120.580 121.300 -0.073 0.000 1.762 187 W HA 0.603 5.263 4.660 -0.000 0.000 0.260 187 W C 0.220 176.749 176.519 0.018 0.000 0.846 187 W CA -0.437 56.892 57.345 -0.028 0.000 1.326 187 W CB -1.314 28.139 29.460 -0.012 0.000 1.010 187 W HN 0.394 nan 8.180 nan 0.000 0.482 188 G N 2.332 111.288 108.800 0.261 0.000 2.543 188 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.286 188 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.286 188 G C 0.380 175.179 174.900 -0.169 0.000 1.153 188 G CA 1.222 46.315 45.100 -0.012 0.000 0.968 188 G HN 0.629 nan 8.290 nan 0.000 0.544 189 F N 0.637 120.119 119.950 -0.781 0.000 3.091 189 F HA -0.230 4.297 4.527 -0.000 0.000 0.288 189 F C 2.262 177.353 175.800 -1.181 0.000 0.907 189 F CA 1.782 58.846 58.000 -1.561 0.000 1.028 189 F CB -1.938 36.331 39.000 -1.218 0.000 1.022 189 F HN 1.302 nan 8.300 nan 0.000 0.665 190 S N -0.567 114.789 115.700 -0.574 0.000 2.402 190 S HA -0.259 4.210 4.470 -0.000 0.000 0.233 190 S C 1.538 176.020 174.600 -0.196 0.000 1.030 190 S CA 1.403 59.434 58.200 -0.282 0.000 1.003 190 S CB -0.904 62.229 63.200 -0.113 0.000 0.813 190 S HN 0.741 nan 8.310 nan 0.000 0.477 191 W N 1.225 122.490 121.300 -0.058 0.000 2.825 191 W HA 0.370 5.030 4.660 -0.000 0.000 0.243 191 W C 1.584 178.077 176.519 -0.043 0.000 1.293 191 W CA -0.231 57.101 57.345 -0.021 0.000 1.403 191 W CB -0.192 29.277 29.460 0.016 0.000 1.134 191 W HN 0.078 nan 8.180 nan 0.000 0.666 192 R N 0.717 120.896 120.500 -0.536 0.000 2.596 192 R HA 0.268 4.608 4.340 -0.000 0.000 0.369 192 R C 0.636 176.733 176.300 -0.339 0.000 1.042 192 R CA -0.257 55.629 56.100 -0.358 0.000 1.120 192 R CB -0.150 29.889 30.300 -0.435 0.000 1.353 192 R HN 0.179 nan 8.270 nan 0.000 0.564 193 L N 0.004 120.978 121.223 -0.414 0.000 3.976 193 L HA -0.348 3.992 4.340 -0.000 0.000 0.418 193 L C 0.872 177.634 176.870 -0.181 0.000 1.177 193 L CA 0.930 55.487 54.840 -0.472 0.000 0.968 193 L CB -1.617 39.718 42.059 -1.206 0.000 1.933 193 L HN 0.671 nan 8.230 nan 0.000 0.976 194 G N -2.603 106.121 108.800 -0.127 0.000 2.278 194 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.210 194 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.210 194 G C 0.268 175.257 174.900 0.148 0.000 1.000 194 G CA 0.081 45.274 45.100 0.155 0.000 0.635 194 G HN 0.311 nan 8.290 nan 0.000 0.495 195 N N 2.520 121.128 118.700 -0.152 0.000 2.399 195 N HA 0.468 5.208 4.740 -0.000 0.000 0.250 195 N C -2.215 172.817 175.510 -0.796 0.000 1.272 195 N CA -0.678 52.068 53.050 -0.506 0.000 0.928 195 N CB 1.048 39.185 38.487 -0.583 0.000 1.158 195 N HN 0.306 nan 8.380 nan 0.000 0.463 196 P HA 0.178 nan 4.420 nan 0.000 0.280 196 P C -0.515 176.354 177.300 -0.719 0.000 1.272 196 P CA -0.426 61.881 63.100 -1.321 0.000 0.819 196 P CB 1.168 32.383 31.700 -0.808 0.000 1.122 197 E N 0.055 119.981 120.200 -0.456 0.000 2.392 197 E HA -0.007 4.342 4.350 -0.000 0.000 0.259 197 E C 0.316 176.846 176.600 -0.116 0.000 1.108 197 E CA -0.009 56.389 56.400 -0.003 0.000 0.916 197 E CB 0.345 30.284 29.700 0.399 0.000 0.989 197 E HN 0.276 nan 8.360 nan 0.000 0.432 198 Q N 1.765 121.447 119.800 -0.197 0.000 2.040 198 Q HA 0.048 4.388 4.340 -0.000 0.000 0.212 198 Q C -0.934 174.953 176.000 -0.187 0.000 0.766 198 Q CA -0.174 55.514 55.803 -0.191 0.000 0.967 198 Q CB 0.368 28.964 28.738 -0.237 0.000 1.202 198 Q HN 0.531 nan 8.270 nan 0.000 0.446 199 Y N 2.337 122.573 120.300 -0.107 0.000 2.903 199 Y HA -0.148 4.402 4.550 -0.000 0.000 0.338 199 Y C 1.030 176.940 175.900 0.017 0.000 1.265 199 Y CA 0.631 58.673 58.100 -0.096 0.000 1.532 199 Y CB 0.144 38.502 38.460 -0.170 0.000 1.293 199 Y HN 0.116 nan 8.280 nan 0.000 0.609 200 D N 0.997 121.561 120.400 0.274 0.000 2.782 200 D HA -0.255 4.385 4.640 -0.000 0.000 0.231 200 D C 0.862 177.104 176.300 -0.097 0.000 1.163 200 D CA 0.843 54.906 54.000 0.106 0.000 0.680 200 D CB -0.849 40.049 40.800 0.163 0.000 1.062 200 D HN 0.646 nan 8.370 nan 0.000 0.425 201 L N -0.683 120.390 121.223 -0.250 0.000 2.341 201 L HA -0.073 4.267 4.340 -0.000 0.000 0.214 201 L C 2.390 178.670 176.870 -0.982 0.000 1.115 201 L CA 0.116 54.589 54.840 -0.613 0.000 0.820 201 L CB -0.102 41.441 42.059 -0.859 0.000 0.944 201 L HN 0.158 nan 8.230 nan 0.000 0.452 202 L N 0.671 121.513 121.223 -0.635 0.000 1.989 202 L HA -0.266 4.073 4.340 -0.000 0.000 0.211 202 L C 2.419 179.058 176.870 -0.385 0.000 1.071 202 L CA 2.122 56.684 54.840 -0.464 0.000 0.749 202 L CB -0.582 41.381 42.059 -0.160 0.000 0.890 202 L HN 0.305 nan 8.230 nan 0.000 0.431 203 E N -1.289 118.747 120.200 -0.274 0.000 2.204 203 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 203 E C 1.792 178.292 176.600 -0.167 0.000 0.989 203 E CA 1.224 57.521 56.400 -0.172 0.000 0.824 203 E CB -0.127 29.513 29.700 -0.100 0.000 0.756 203 E HN 0.652 nan 8.360 nan 0.000 0.477 204 D N -0.441 119.837 120.400 -0.203 0.000 2.097 204 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 204 D C 1.911 178.170 176.300 -0.068 0.000 0.984 204 D CA 1.698 55.678 54.000 -0.034 0.000 0.826 204 D CB -0.564 40.228 40.800 -0.014 0.000 0.973 204 D HN 0.269 nan 8.370 nan 0.000 0.460 205 G N 0.547 109.059 108.800 -0.480 0.000 2.421 205 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 205 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 205 G C 1.799 176.616 174.900 -0.138 0.000 1.171 205 G CA 0.674 45.479 45.100 -0.492 0.000 0.775 205 G HN 0.352 nan 8.290 nan 0.000 0.543 206 L N -0.166 120.956 121.223 -0.168 0.000 2.129 206 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 206 L C 2.910 179.707 176.870 -0.121 0.000 1.087 206 L CA 1.383 56.127 54.840 -0.162 0.000 0.757 206 L CB -0.240 41.629 42.059 -0.315 0.000 0.896 206 L HN 0.239 nan 8.230 nan 0.000 0.434 207 K N -1.551 118.738 120.400 -0.186 0.000 2.166 207 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 207 K C 1.466 177.776 176.600 -0.483 0.000 1.052 207 K CA 0.712 56.777 56.287 -0.370 0.000 0.969 207 K CB 0.194 32.336 32.500 -0.596 0.000 0.761 207 K HN 0.417 nan 8.250 nan 0.000 0.459 208 H N -1.089 118.051 119.070 0.116 0.000 3.170 208 H HA 0.280 4.836 4.556 -0.000 0.000 0.264 208 H C 0.035 175.522 175.328 0.264 0.000 1.113 208 H CA -0.222 55.928 56.048 0.171 0.000 1.194 208 H CB 0.521 30.385 29.762 0.169 0.000 1.553 208 H HN 0.014 nan 8.280 nan 0.000 0.538 209 A N 1.669 124.708 122.820 0.364 0.000 2.524 209 A HA 0.082 4.402 4.320 -0.000 0.000 0.250 209 A C 0.793 178.546 177.584 0.282 0.000 1.078 209 A CA 0.279 52.556 52.037 0.400 0.000 0.761 209 A CB 0.322 19.467 19.000 0.241 0.000 1.012 209 A HN 0.438 nan 8.150 nan 0.000 0.500 210 E N 1.071 121.433 120.200 0.271 0.000 2.508 210 E HA 0.274 4.623 4.350 -0.000 0.000 0.217 210 E C -0.097 176.613 176.600 0.184 0.000 0.896 210 E CA 0.188 56.704 56.400 0.195 0.000 1.118 210 E CB 0.599 30.395 29.700 0.159 0.000 1.133 210 E HN 0.813 nan 8.360 nan 0.000 0.526 211 M N 0.973 120.693 119.600 0.200 0.000 2.523 211 M HA 0.355 4.835 4.480 -0.000 0.000 0.287 211 M C -2.290 174.053 176.300 0.071 0.000 1.160 211 M CA -0.345 55.042 55.300 0.145 0.000 0.902 211 M CB 1.871 34.507 32.600 0.061 0.000 1.752 211 M HN -0.125 nan 8.290 nan 0.000 0.504 212 I N 3.757 124.312 120.570 -0.025 0.000 2.499 212 I HA 0.482 4.652 4.170 -0.000 0.000 0.288 212 I C -0.994 174.807 176.117 -0.527 0.000 1.048 212 I CA -1.063 60.026 61.300 -0.352 0.000 1.062 212 I CB 2.268 39.872 38.000 -0.660 0.000 1.238 212 I HN 0.381 nan 8.210 nan 0.000 0.426 213 V N 6.431 125.965 119.914 -0.634 0.000 2.311 213 V HA 0.286 4.406 4.120 -0.000 0.000 0.275 213 V C -0.424 175.351 176.094 -0.531 0.000 1.022 213 V CA -0.357 61.607 62.300 -0.560 0.000 0.830 213 V CB 0.447 31.875 31.823 -0.659 0.000 1.012 213 V HN 0.398 nan 8.190 nan 0.000 0.452 214 F N 4.501 124.150 119.950 -0.500 0.000 2.462 214 F HA 0.263 4.790 4.527 -0.000 0.000 0.354 214 F C 0.266 176.030 175.800 -0.060 0.000 1.192 214 F CA -0.151 57.606 58.000 -0.405 0.000 1.173 214 F CB 0.368 38.791 39.000 -0.963 0.000 1.402 214 F HN 0.495 nan 8.300 nan 0.000 0.595 215 W N 3.773 125.139 121.300 0.111 0.000 2.316 215 W HA 0.254 4.914 4.660 -0.000 0.000 0.308 215 W C 0.823 177.561 176.519 0.365 0.000 1.106 215 W CA -1.040 56.475 57.345 0.284 0.000 1.262 215 W CB 1.301 30.999 29.460 0.396 0.000 1.233 215 W HN 0.494 nan 8.180 nan 0.000 0.447 216 S N 3.526 119.578 115.700 0.586 0.000 3.581 216 S HA -0.230 4.239 4.470 -0.000 0.000 0.354 216 S C -0.229 174.541 174.600 0.283 0.000 1.059 216 S CA 1.386 59.773 58.200 0.311 0.000 1.060 216 S CB -1.213 61.987 63.200 -0.000 0.000 0.908 216 S HN 0.562 nan 8.310 nan 0.000 0.475 217 S N 0.700 116.588 115.700 0.314 0.000 2.561 217 S HA 0.593 5.062 4.470 -0.000 0.000 0.303 217 S C -1.344 173.399 174.600 0.238 0.000 1.110 217 S CA -0.508 57.855 58.200 0.272 0.000 1.034 217 S CB 1.735 65.128 63.200 0.322 0.000 1.010 217 S HN 0.379 nan 8.310 nan 0.000 0.482 218 D N 5.075 125.554 120.400 0.132 0.000 2.513 218 D HA 0.396 5.036 4.640 -0.000 0.000 0.295 218 D C -1.951 174.358 176.300 0.016 0.000 1.202 218 D CA -1.998 52.038 54.000 0.060 0.000 0.849 218 D CB 1.472 42.288 40.800 0.026 0.000 1.116 218 D HN 0.222 nan 8.370 nan 0.000 0.502 219 P HA -0.174 nan 4.420 nan 0.000 0.216 219 P C 1.285 178.542 177.300 -0.072 0.000 1.157 219 P CA 1.087 64.167 63.100 -0.034 0.000 0.880 219 P CB 0.539 32.212 31.700 -0.045 0.000 0.791 220 E N -0.979 119.190 120.200 -0.051 0.000 2.051 220 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 220 E C 2.038 178.559 176.600 -0.132 0.000 0.991 220 E CA 1.491 57.876 56.400 -0.025 0.000 0.799 220 E CB -1.340 28.401 29.700 0.067 0.000 0.748 220 E HN 0.269 nan 8.360 nan 0.000 0.449 221 T N 2.304 116.807 114.554 -0.084 0.000 2.614 221 T HA -0.083 4.267 4.350 -0.000 0.000 0.263 221 T C 1.628 176.226 174.700 -0.170 0.000 1.055 221 T CA 1.325 63.347 62.100 -0.130 0.000 1.162 221 T CB -0.218 68.631 68.868 -0.031 0.000 0.863 221 T HN 0.150 nan 8.240 nan 0.000 0.414 222 N N 1.167 119.799 118.700 -0.113 0.000 2.250 222 N HA -0.063 4.677 4.740 -0.000 0.000 0.181 222 N C 1.338 176.778 175.510 -0.116 0.000 1.017 222 N CA 1.280 54.271 53.050 -0.098 0.000 0.866 222 N CB -0.181 38.277 38.487 -0.049 0.000 0.985 222 N HN 0.572 nan 8.380 nan 0.000 0.429 223 S N -1.383 114.236 115.700 -0.135 0.000 3.380 223 S HA -0.223 4.247 4.470 -0.000 0.000 0.300 223 S C 1.126 175.673 174.600 -0.089 0.000 1.255 223 S CA 1.948 60.061 58.200 -0.146 0.000 0.963 223 S CB -2.056 61.012 63.200 -0.219 0.000 1.106 223 S HN 0.814 nan 8.310 nan 0.000 0.629 224 G N 1.106 109.884 108.800 -0.038 0.000 5.353 224 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.283 224 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.283 224 G C 0.067 175.015 174.900 0.080 0.000 1.457 224 G CA 0.162 45.267 45.100 0.010 0.000 0.951 224 G HN 1.955 nan 8.290 nan 0.000 0.731 225 I N -1.881 118.672 120.570 -0.028 0.000 2.688 225 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 225 I C 0.525 176.574 176.117 -0.113 0.000 1.707 225 I CA -0.166 61.032 61.300 -0.171 0.000 1.043 225 I CB 0.401 38.259 38.000 -0.235 0.000 1.540 225 I HN 1.098 nan 8.210 nan 0.000 0.463 226 Y N 3.227 123.559 120.300 0.054 0.000 4.851 226 Y HA -0.322 4.228 4.550 -0.000 0.000 0.235 226 Y C 1.081 176.972 175.900 -0.014 0.000 0.998 226 Y CA 0.668 58.760 58.100 -0.013 0.000 1.980 226 Y CB -1.594 36.852 38.460 -0.024 0.000 1.561 226 Y HN 0.674 nan 8.280 nan 0.000 0.585 227 A N 0.305 123.152 122.820 0.044 0.000 2.610 227 A HA 0.592 4.912 4.320 -0.000 0.000 0.286 227 A C 1.693 179.269 177.584 -0.014 0.000 1.306 227 A CA 0.893 52.875 52.037 -0.092 0.000 0.942 227 A CB -0.677 18.196 19.000 -0.212 0.000 1.112 227 A HN 1.100 nan 8.150 nan 0.000 0.527 228 G N 0.625 109.413 108.800 -0.021 0.000 2.699 228 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.351 228 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.351 228 G C 0.195 174.780 174.900 -0.525 0.000 1.191 228 G CA 1.482 46.477 45.100 -0.174 0.000 0.953 228 G HN 0.809 nan 8.290 nan 0.000 0.557 229 F N 1.365 121.324 119.950 0.015 0.000 2.541 229 F HA 0.428 4.955 4.527 -0.000 0.000 0.368 229 F C 1.233 177.027 175.800 -0.011 0.000 1.530 229 F CA -0.248 57.738 58.000 -0.022 0.000 1.102 229 F CB 1.162 40.134 39.000 -0.046 0.000 1.382 229 F HN 0.229 nan 8.300 nan 0.000 0.541 230 E N 0.088 120.346 120.200 0.096 0.000 2.107 230 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 230 E C 2.095 178.715 176.600 0.033 0.000 0.982 230 E CA 1.492 57.941 56.400 0.081 0.000 0.809 230 E CB -0.015 29.704 29.700 0.032 0.000 0.756 230 E HN 0.423 nan 8.360 nan 0.000 0.459 231 S N 0.940 116.639 115.700 -0.002 0.000 2.603 231 S HA -0.023 4.447 4.470 -0.000 0.000 0.220 231 S C 1.586 176.145 174.600 -0.068 0.000 0.967 231 S CA 0.184 58.361 58.200 -0.038 0.000 0.920 231 S CB -0.107 63.061 63.200 -0.052 0.000 0.773 231 S HN 0.116 nan 8.310 nan 0.000 0.529 232 N N 2.565 121.252 118.700 -0.022 0.000 2.036 232 N HA -0.167 4.573 4.740 -0.000 0.000 0.195 232 N C 1.631 177.062 175.510 -0.132 0.000 1.037 232 N CA 1.996 55.029 53.050 -0.027 0.000 0.855 232 N CB -0.467 38.039 38.487 0.032 0.000 1.033 232 N HN 0.597 nan 8.380 nan 0.000 0.423 233 I N 0.915 121.343 120.570 -0.236 0.000 2.454 233 I HA -0.203 3.967 4.170 -0.000 0.000 0.254 233 I C 2.326 177.921 176.117 -0.870 0.000 1.156 233 I CA 0.756 61.776 61.300 -0.467 0.000 1.433 233 I CB -0.032 37.678 38.000 -0.485 0.000 1.082 233 I HN 0.178 nan 8.210 nan 0.000 0.432 234 R N 0.297 120.378 120.500 -0.698 0.000 2.073 234 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 234 R C 2.338 178.578 176.300 -0.100 0.000 1.134 234 R CA 1.391 57.185 56.100 -0.509 0.000 0.952 234 R CB -0.438 29.785 30.300 -0.129 0.000 0.850 234 R HN 0.361 nan 8.270 nan 0.000 0.433 235 R N 0.383 120.859 120.500 -0.041 0.000 2.189 235 R HA -0.127 4.213 4.340 -0.000 0.000 0.223 235 R C 2.277 178.713 176.300 0.228 0.000 1.092 235 R CA 1.005 57.200 56.100 0.160 0.000 0.989 235 R CB -0.071 30.305 30.300 0.126 0.000 0.876 235 R HN 0.144 nan 8.270 nan 0.000 0.457 236 Q N 0.087 119.916 119.800 0.047 0.000 2.079 236 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 236 Q C 1.444 177.586 176.000 0.237 0.000 0.974 236 Q CA 1.535 57.383 55.803 0.077 0.000 0.840 236 Q CB -0.082 28.638 28.738 -0.030 0.000 0.898 236 Q HN 0.273 nan 8.270 nan 0.000 0.430 237 W N 0.508 121.914 121.300 0.177 0.000 2.354 237 W HA -0.092 4.568 4.660 -0.000 0.000 0.315 237 W C 2.020 178.635 176.519 0.159 0.000 1.206 237 W CA 0.696 58.164 57.345 0.205 0.000 1.290 237 W CB -1.237 28.299 29.460 0.126 0.000 1.152 237 W HN 0.223 nan 8.180 nan 0.000 0.489 238 L N 0.418 121.885 121.223 0.405 0.000 1.990 238 L HA -0.285 4.055 4.340 -0.000 0.000 0.213 238 L C 2.561 179.578 176.870 0.244 0.000 1.072 238 L CA 2.038 57.082 54.840 0.341 0.000 0.755 238 L CB -1.209 41.128 42.059 0.463 0.000 0.889 238 L HN -0.032 nan 8.230 nan 0.000 0.432 239 K N 0.191 120.694 120.400 0.171 0.000 2.074 239 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 239 K C 1.336 177.942 176.600 0.010 0.000 1.048 239 K CA 2.016 58.238 56.287 -0.108 0.000 0.926 239 K CB -0.072 32.349 32.500 -0.131 0.000 0.713 239 K HN 0.297 nan 8.250 nan 0.000 0.444 240 D N 0.353 120.831 120.400 0.130 0.000 2.363 240 D HA -0.033 4.607 4.640 -0.000 0.000 0.226 240 D C 1.303 177.694 176.300 0.152 0.000 1.020 240 D CA 0.543 54.629 54.000 0.143 0.000 0.892 240 D CB 0.263 41.188 40.800 0.209 0.000 0.900 240 D HN 0.300 nan 8.370 nan 0.000 0.531 241 L N -1.148 120.171 121.223 0.160 0.000 2.638 241 L HA 0.245 4.585 4.340 -0.000 0.000 0.232 241 L C 1.393 178.328 176.870 0.109 0.000 1.099 241 L CA 0.322 55.255 54.840 0.155 0.000 0.883 241 L CB 0.574 42.746 42.059 0.188 0.000 1.136 241 L HN 0.124 nan 8.230 nan 0.000 0.492 242 G N 0.111 108.956 108.800 0.076 0.000 2.154 242 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.186 242 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.186 242 G C 0.056 174.993 174.900 0.062 0.000 1.000 242 G CA -0.239 44.894 45.100 0.055 0.000 0.664 242 G HN 0.003 nan 8.290 nan 0.000 0.513 243 V N 2.042 122.006 119.914 0.083 0.000 2.508 243 V HA 0.337 4.456 4.120 -0.000 0.000 0.281 243 V C 0.263 176.396 176.094 0.065 0.000 1.041 243 V CA -0.627 61.773 62.300 0.166 0.000 1.016 243 V CB 1.255 33.290 31.823 0.354 0.000 0.984 243 V HN 0.268 nan 8.190 nan 0.000 0.478 244 D N 4.336 124.829 120.400 0.155 0.000 2.302 244 D HA 0.383 5.022 4.640 -0.000 0.000 0.248 244 D C -0.462 176.134 176.300 0.494 0.000 1.094 244 D CA 0.230 54.320 54.000 0.150 0.000 0.897 244 D CB 1.277 42.154 40.800 0.127 0.000 1.200 244 D HN 0.404 nan 8.370 nan 0.000 0.429 245 F N 0.932 120.960 119.950 0.130 0.000 2.449 245 F HA 0.336 4.862 4.527 -0.000 0.000 0.342 245 F C 0.007 175.883 175.800 0.126 0.000 1.127 245 F CA -1.103 56.996 58.000 0.164 0.000 0.975 245 F CB 1.854 41.032 39.000 0.296 0.000 1.146 245 F HN -0.155 nan 8.300 nan 0.000 0.444 246 V N 4.412 124.398 119.914 0.121 0.000 2.448 246 V HA 0.371 4.490 4.120 -0.000 0.000 0.295 246 V C -0.738 175.265 176.094 -0.152 0.000 1.025 246 V CA -0.751 61.555 62.300 0.010 0.000 0.859 246 V CB 1.780 33.496 31.823 -0.178 0.000 0.988 246 V HN 0.451 nan 8.190 nan 0.000 0.431 247 F N 4.872 124.857 119.950 0.059 0.000 2.426 247 F HA 0.599 5.126 4.527 -0.000 0.000 0.348 247 F C 0.229 176.058 175.800 0.049 0.000 1.124 247 F CA -0.674 57.389 58.000 0.105 0.000 1.008 247 F CB 1.524 40.602 39.000 0.130 0.000 1.139 247 F HN 0.248 nan 8.300 nan 0.000 0.452 248 I N 3.848 124.439 120.570 0.034 0.000 2.388 248 I HA 0.281 4.451 4.170 -0.000 0.000 0.281 248 I C -0.961 175.232 176.117 0.128 0.000 1.046 248 I CA -0.141 61.080 61.300 -0.132 0.000 1.187 248 I CB 0.676 38.161 38.000 -0.858 0.000 1.351 248 I HN 0.475 nan 8.210 nan 0.000 0.472 249 D N 7.607 128.199 120.400 0.320 0.000 2.977 249 D HA 0.279 4.919 4.640 -0.000 0.000 0.220 249 D C -2.293 174.267 176.300 0.432 0.000 1.267 249 D CA -1.706 52.504 54.000 0.350 0.000 0.884 249 D CB 3.435 44.426 40.800 0.320 0.000 1.667 249 D HN -0.005 nan 8.370 nan 0.000 0.536 250 P HA -0.093 nan 4.420 nan 0.000 0.216 250 P C -0.093 177.483 177.300 0.460 0.000 1.150 250 P CA 1.143 64.415 63.100 0.286 0.000 0.843 250 P CB 0.035 31.857 31.700 0.202 0.000 0.787 251 H N -0.878 118.364 119.070 0.287 0.000 2.476 251 H HA 0.360 4.916 4.556 -0.000 0.000 0.328 251 H C -0.208 175.090 175.328 -0.051 0.000 1.073 251 H CA -1.238 54.867 56.048 0.095 0.000 1.229 251 H CB 0.624 30.306 29.762 -0.134 0.000 1.432 251 H HN -0.166 nan 8.280 nan 0.000 0.477 252 M N 6.209 125.545 119.600 -0.440 0.000 2.628 252 M HA -0.013 4.466 4.480 -0.000 0.000 0.326 252 M C -0.516 175.072 176.300 -1.186 0.000 1.613 252 M CA -0.289 54.223 55.300 -1.314 0.000 1.387 252 M CB -0.659 30.797 32.600 -1.906 0.000 1.761 252 M HN 0.700 nan 8.290 nan 0.000 0.459 253 N N 2.418 120.528 118.700 -0.984 0.000 2.297 253 N HA -0.038 4.702 4.740 -0.000 0.000 0.232 253 N C 0.555 175.593 175.510 -0.787 0.000 1.311 253 N CA -0.026 52.452 53.050 -0.953 0.000 0.897 253 N CB 0.301 38.511 38.487 -0.462 0.000 1.137 253 N HN 0.478 nan 8.380 nan 0.000 0.449 254 H N -0.685 118.163 119.070 -0.371 0.000 2.457 254 H HA -0.081 4.475 4.556 -0.000 0.000 0.297 254 H C 1.068 176.214 175.328 -0.303 0.000 1.092 254 H CA 1.822 57.708 56.048 -0.271 0.000 1.309 254 H CB -0.421 29.247 29.762 -0.157 0.000 1.382 254 H HN 0.650 nan 8.280 nan 0.000 0.535 255 T N 0.496 114.887 114.554 -0.271 0.000 2.896 255 T HA 0.063 4.413 4.350 -0.000 0.000 0.263 255 T C 2.336 176.567 174.700 -0.782 0.000 1.050 255 T CA 0.838 62.731 62.100 -0.344 0.000 1.140 255 T CB -0.137 68.605 68.868 -0.210 0.000 0.877 255 T HN 0.441 nan 8.240 nan 0.000 0.457 256 A N 1.917 124.027 122.820 -1.185 0.000 1.930 256 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 256 A C 2.265 179.365 177.584 -0.807 0.000 1.175 256 A CA 0.929 51.993 52.037 -1.622 0.000 0.627 256 A CB -0.380 17.835 19.000 -1.309 0.000 0.815 256 A HN 0.370 nan 8.150 nan 0.000 0.443 257 R N -1.218 118.925 120.500 -0.596 0.000 2.285 257 R HA 0.017 4.357 4.340 -0.000 0.000 0.213 257 R C 1.690 177.837 176.300 -0.255 0.000 1.068 257 R CA 1.027 56.899 56.100 -0.381 0.000 1.004 257 R CB -0.212 29.908 30.300 -0.300 0.000 0.873 257 R HN 0.527 nan 8.270 nan 0.000 0.467 258 L N -0.669 120.395 121.223 -0.266 0.000 2.362 258 L HA 0.041 4.381 4.340 -0.000 0.000 0.204 258 L C 1.265 178.067 176.870 -0.114 0.000 1.060 258 L CA 0.880 55.627 54.840 -0.155 0.000 0.827 258 L CB 0.860 42.850 42.059 -0.115 0.000 1.027 258 L HN -0.047 nan 8.230 nan 0.000 0.474 259 V N -2.836 117.005 119.914 -0.123 0.000 3.199 259 V HA 0.660 4.779 4.120 -0.000 0.000 0.331 259 V C 0.728 176.892 176.094 0.118 0.000 1.446 259 V CA -0.258 62.053 62.300 0.018 0.000 1.120 259 V CB -0.784 31.146 31.823 0.178 0.000 1.051 259 V HN 0.254 nan 8.190 nan 0.000 0.495 260 A N 0.672 123.476 122.820 -0.026 0.000 2.483 260 A HA 0.461 4.781 4.320 -0.000 0.000 0.238 260 A C 0.638 178.324 177.584 0.170 0.000 1.070 260 A CA 0.847 52.979 52.037 0.158 0.000 0.770 260 A CB 0.157 19.115 19.000 -0.069 0.000 1.008 260 A HN 0.513 nan 8.150 nan 0.000 0.497 261 D N -0.784 119.770 120.400 0.256 0.000 2.449 261 D HA 0.275 4.914 4.640 -0.000 0.000 0.210 261 D C -0.029 176.389 176.300 0.196 0.000 1.094 261 D CA 0.697 54.797 54.000 0.167 0.000 0.846 261 D CB 0.511 41.396 40.800 0.142 0.000 1.003 261 D HN 0.435 nan 8.370 nan 0.000 0.504 262 K N -0.337 120.227 120.400 0.274 0.000 2.622 262 K HA 0.391 4.711 4.320 -0.000 0.000 0.273 262 K C -2.458 174.404 176.600 0.437 0.000 0.957 262 K CA -0.769 55.704 56.287 0.311 0.000 0.861 262 K CB 0.955 33.618 32.500 0.272 0.000 1.405 262 K HN -0.054 nan 8.250 nan 0.000 0.406 263 W N 5.775 127.229 121.300 0.256 0.000 2.998 263 W HA 0.685 5.345 4.660 -0.000 0.000 0.335 263 W C -1.974 174.820 176.519 0.457 0.000 1.110 263 W CA -0.866 56.637 57.345 0.263 0.000 1.230 263 W CB 0.986 30.519 29.460 0.122 0.000 1.405 263 W HN 0.305 nan 8.180 nan 0.000 0.493 264 F N 3.724 123.412 119.950 -0.437 0.000 2.492 264 F HA 0.549 5.076 4.527 -0.000 0.000 0.327 264 F C 0.370 175.663 175.800 -0.846 0.000 1.079 264 F CA -1.710 55.938 58.000 -0.588 0.000 0.967 264 F CB 2.126 40.948 39.000 -0.297 0.000 1.169 264 F HN 0.259 nan 8.300 nan 0.000 0.472 265 S N 5.017 120.368 115.700 -0.582 0.000 2.259 265 S HA 0.426 4.896 4.470 -0.000 0.000 0.181 265 S C -2.913 171.599 174.600 -0.146 0.000 1.589 265 S CA -1.416 56.570 58.200 -0.357 0.000 1.234 265 S CB 0.152 63.032 63.200 -0.534 0.000 1.119 265 S HN 0.277 nan 8.310 nan 0.000 0.458 266 P HA 0.219 nan 4.420 nan 0.000 0.275 266 P C -0.564 176.749 177.300 0.021 0.000 1.228 266 P CA -0.436 62.672 63.100 0.014 0.000 0.786 266 P CB 0.690 32.461 31.700 0.118 0.000 0.927 267 K N 2.231 122.624 120.400 -0.011 0.000 2.380 267 K HA 0.114 4.433 4.320 -0.000 0.000 0.267 267 K C 0.938 177.528 176.600 -0.016 0.000 0.990 267 K CA -0.293 55.982 56.287 -0.019 0.000 0.946 267 K CB -0.012 32.463 32.500 -0.042 0.000 0.937 267 K HN 0.496 nan 8.250 nan 0.000 0.491 268 I N -1.574 118.972 120.570 -0.039 0.000 2.948 268 I HA 0.057 4.227 4.170 -0.000 0.000 0.290 268 I C 1.048 177.043 176.117 -0.203 0.000 1.226 268 I CA 0.321 61.562 61.300 -0.098 0.000 1.413 268 I CB -0.053 37.893 38.000 -0.090 0.000 1.352 268 I HN 0.834 nan 8.210 nan 0.000 0.597 269 G N 3.193 111.679 108.800 -0.524 0.000 2.225 269 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.267 269 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.267 269 G C 0.531 175.284 174.900 -0.246 0.000 1.024 269 G CA 0.682 45.298 45.100 -0.806 0.000 0.784 269 G HN 1.428 nan 8.290 nan 0.000 0.507 270 T N -4.153 110.372 114.554 -0.048 0.000 3.170 270 T HA 0.344 4.694 4.350 -0.000 0.000 0.288 270 T C 1.062 176.040 174.700 0.463 0.000 0.992 270 T CA 0.899 63.144 62.100 0.242 0.000 0.909 270 T CB 0.425 69.354 68.868 0.102 0.000 1.133 270 T HN 0.061 nan 8.240 nan 0.000 0.530 271 D N 2.072 122.880 120.400 0.680 0.000 2.178 271 D HA -0.129 4.510 4.640 -0.000 0.000 0.201 271 D C 2.026 178.886 176.300 0.934 0.000 0.980 271 D CA 1.395 55.912 54.000 0.860 0.000 0.842 271 D CB -0.073 41.261 40.800 0.890 0.000 0.948 271 D HN 0.677 nan 8.370 nan 0.000 0.472 272 H N -0.125 119.361 119.070 0.693 0.000 2.524 272 H HA 0.233 4.789 4.556 -0.000 0.000 0.282 272 H C 1.827 177.662 175.328 0.845 0.000 1.016 272 H CA 1.012 57.460 56.048 0.667 0.000 1.270 272 H CB -0.740 29.435 29.762 0.689 0.000 1.394 272 H HN 0.118 nan 8.280 nan 0.000 0.568 273 A N 1.835 124.993 122.820 0.565 0.000 1.969 273 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 273 A C 2.616 180.438 177.584 0.396 0.000 1.169 273 A CA 0.895 53.101 52.037 0.281 0.000 0.635 273 A CB -0.651 18.131 19.000 -0.363 0.000 0.810 273 A HN 0.364 nan 8.150 nan 0.000 0.445 274 L N 0.160 121.658 121.223 0.459 0.000 2.131 274 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 274 L C 2.977 180.153 176.870 0.510 0.000 1.087 274 L CA 1.451 56.576 54.840 0.475 0.000 0.767 274 L CB -0.634 41.773 42.059 0.581 0.000 0.917 274 L HN 0.573 nan 8.230 nan 0.000 0.441 275 S N -0.139 115.875 115.700 0.524 0.000 2.383 275 S HA -0.141 4.328 4.470 -0.000 0.000 0.227 275 S C 1.925 176.594 174.600 0.115 0.000 1.026 275 S CA 0.852 59.185 58.200 0.222 0.000 0.981 275 S CB -0.845 62.328 63.200 -0.045 0.000 0.818 275 S HN 0.268 nan 8.310 nan 0.000 0.472 276 F N 2.452 122.570 119.950 0.280 0.000 2.134 276 F HA 0.048 4.575 4.527 -0.000 0.000 0.299 276 F C 2.934 178.777 175.800 0.072 0.000 1.097 276 F CA 0.895 58.991 58.000 0.161 0.000 1.264 276 F CB -0.589 38.504 39.000 0.156 0.000 1.001 276 F HN 0.310 nan 8.300 nan 0.000 0.479 277 A N 0.302 123.329 122.820 0.345 0.000 1.902 277 A HA -0.153 4.166 4.320 -0.000 0.000 0.217 277 A C 2.163 179.801 177.584 0.090 0.000 1.181 277 A CA 1.542 53.714 52.037 0.224 0.000 0.623 277 A CB -1.024 18.116 19.000 0.232 0.000 0.818 277 A HN 0.409 nan 8.150 nan 0.000 0.443 278 I N -0.392 120.154 120.570 -0.040 0.000 2.315 278 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 278 I C 2.927 178.585 176.117 -0.765 0.000 1.117 278 I CA 0.950 61.999 61.300 -0.420 0.000 1.404 278 I CB -0.304 37.385 38.000 -0.519 0.000 1.071 278 I HN 0.365 nan 8.210 nan 0.000 0.419 279 A N 0.178 122.745 122.820 -0.421 0.000 1.898 279 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 279 A C 2.282 179.823 177.584 -0.073 0.000 1.181 279 A CA 1.346 53.256 52.037 -0.211 0.000 0.620 279 A CB -0.998 18.033 19.000 0.052 0.000 0.819 279 A HN 0.506 nan 8.150 nan 0.000 0.442 280 Y N 1.334 121.546 120.300 -0.148 0.000 2.165 280 Y HA -0.206 4.343 4.550 -0.000 0.000 0.286 280 Y C 2.604 178.478 175.900 -0.045 0.000 1.155 280 Y CA 2.318 60.348 58.100 -0.117 0.000 1.164 280 Y CB -0.599 37.789 38.460 -0.121 0.000 0.978 280 Y HN 0.312 nan 8.280 nan 0.000 0.513 281 T N -0.318 114.245 114.554 0.015 0.000 2.746 281 T HA -0.196 4.153 4.350 -0.000 0.000 0.267 281 T C 1.407 176.193 174.700 0.144 0.000 1.039 281 T CA 1.613 63.733 62.100 0.034 0.000 1.142 281 T CB -0.460 68.441 68.868 0.056 0.000 0.866 281 T HN 0.465 nan 8.240 nan 0.000 0.444 282 W N 1.353 122.660 121.300 0.012 0.000 2.388 282 W HA 0.166 4.826 4.660 -0.000 0.000 0.294 282 W C 2.026 178.604 176.519 0.099 0.000 1.212 282 W CA -0.005 57.378 57.345 0.064 0.000 1.271 282 W CB -1.350 28.130 29.460 0.034 0.000 1.126 282 W HN 0.283 nan 8.180 nan 0.000 0.535 283 L N 0.133 121.465 121.223 0.182 0.000 2.109 283 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 283 L C 2.501 179.371 176.870 0.002 0.000 1.086 283 L CA 1.038 55.934 54.840 0.093 0.000 0.760 283 L CB -0.737 41.264 42.059 -0.097 0.000 0.910 283 L HN -0.236 nan 8.230 nan 0.000 0.437 284 K N 0.385 120.685 120.400 -0.168 0.000 2.288 284 K HA -0.090 4.229 4.320 -0.000 0.000 0.201 284 K C 1.304 177.883 176.600 -0.035 0.000 1.048 284 K CA 1.109 57.280 56.287 -0.194 0.000 0.956 284 K CB 0.075 32.352 32.500 -0.372 0.000 0.746 284 K HN 0.451 nan 8.250 nan 0.000 0.461 285 E N 0.033 120.265 120.200 0.053 0.000 2.526 285 E HA 0.019 4.368 4.350 -0.000 0.000 0.208 285 E C -0.969 175.686 176.600 0.093 0.000 0.997 285 E CA -0.104 56.344 56.400 0.081 0.000 0.961 285 E CB 0.418 30.187 29.700 0.114 0.000 1.030 285 E HN 0.183 nan 8.360 nan 0.000 0.483 286 D N 0.917 121.401 120.400 0.140 0.000 2.708 286 D HA -0.158 4.482 4.640 -0.000 0.000 0.236 286 D C -0.368 175.941 176.300 0.014 0.000 1.146 286 D CA 1.074 55.122 54.000 0.080 0.000 0.662 286 D CB -1.401 39.391 40.800 -0.014 0.000 1.059 286 D HN 0.203 nan 8.370 nan 0.000 0.428 287 S N -0.221 115.563 115.700 0.141 0.000 2.694 287 S HA 0.498 4.968 4.470 -0.000 0.000 0.211 287 S C -0.215 174.308 174.600 -0.129 0.000 1.328 287 S CA -0.886 57.313 58.200 -0.001 0.000 1.236 287 S CB -0.195 63.035 63.200 0.051 0.000 1.121 287 S HN 0.499 nan 8.310 nan 0.000 0.517 288 Y N -2.198 117.956 120.300 -0.243 0.000 2.728 288 Y HA 0.657 5.207 4.550 -0.000 0.000 0.330 288 Y C -1.047 174.721 175.900 -0.219 0.000 1.234 288 Y CA -1.469 56.424 58.100 -0.344 0.000 1.070 288 Y CB 0.333 38.640 38.460 -0.254 0.000 1.300 288 Y HN 0.096 nan 8.280 nan 0.000 0.467 289 D N 1.742 122.074 120.400 -0.114 0.000 2.517 289 D HA 0.159 4.799 4.640 -0.000 0.000 0.220 289 D C 0.366 176.599 176.300 -0.111 0.000 1.158 289 D CA 0.151 54.060 54.000 -0.152 0.000 0.992 289 D CB 0.570 41.282 40.800 -0.147 0.000 1.058 289 D HN 0.702 nan 8.370 nan 0.000 0.516 290 K N 1.658 121.853 120.400 -0.342 0.000 2.063 290 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 290 K C 1.425 177.977 176.600 -0.080 0.000 1.048 290 K CA 1.229 57.356 56.287 -0.265 0.000 0.928 290 K CB 0.315 32.599 32.500 -0.359 0.000 0.713 290 K HN 0.262 nan 8.250 nan 0.000 0.442 291 E N 0.253 120.412 120.200 -0.068 0.000 2.058 291 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 291 E C 1.780 178.380 176.600 -0.001 0.000 0.997 291 E CA 1.350 57.729 56.400 -0.034 0.000 0.801 291 E CB -0.492 29.187 29.700 -0.036 0.000 0.746 291 E HN 0.367 nan 8.360 nan 0.000 0.450 292 Y N 0.807 121.039 120.300 -0.114 0.000 2.097 292 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 292 Y C 2.136 177.966 175.900 -0.117 0.000 1.152 292 Y CA 1.457 59.484 58.100 -0.122 0.000 1.136 292 Y CB -0.157 38.240 38.460 -0.106 0.000 0.975 292 Y HN -0.113 nan 8.280 nan 0.000 0.498 293 V N 0.419 120.442 119.914 0.181 0.000 2.392 293 V HA -0.356 3.764 4.120 -0.000 0.000 0.249 293 V C 2.584 178.627 176.094 -0.085 0.000 1.059 293 V CA 1.800 64.085 62.300 -0.024 0.000 1.051 293 V CB -1.489 30.157 31.823 -0.295 0.000 0.658 293 V HN 0.598 nan 8.190 nan 0.000 0.455 294 A N -0.539 122.252 122.820 -0.048 0.000 2.015 294 A HA 0.077 4.397 4.320 -0.000 0.000 0.219 294 A C 2.285 179.849 177.584 -0.032 0.000 1.163 294 A CA 1.818 53.844 52.037 -0.020 0.000 0.646 294 A CB -0.387 18.608 19.000 -0.008 0.000 0.806 294 A HN 0.561 nan 8.150 nan 0.000 0.448 295 A N -0.442 122.321 122.820 -0.094 0.000 1.924 295 A HA 0.066 4.386 4.320 -0.000 0.000 0.211 295 A C 1.414 178.889 177.584 -0.183 0.000 1.198 295 A CA 0.880 52.830 52.037 -0.146 0.000 0.657 295 A CB -0.043 18.824 19.000 -0.221 0.000 0.852 295 A HN 0.448 nan 8.150 nan 0.000 0.454 296 N N 0.004 118.545 118.700 -0.266 0.000 2.214 296 N HA 0.382 5.121 4.740 -0.000 0.000 0.214 296 N C -0.211 175.392 175.510 0.154 0.000 1.132 296 N CA 0.705 53.633 53.050 -0.205 0.000 0.856 296 N CB 0.886 38.914 38.487 -0.766 0.000 1.020 296 N HN 0.419 nan 8.380 nan 0.000 0.509 297 A N 0.147 123.060 122.820 0.156 0.000 2.401 297 A HA 0.575 4.894 4.320 -0.000 0.000 0.310 297 A C -1.359 176.417 177.584 0.319 0.000 1.075 297 A CA -0.503 51.715 52.037 0.301 0.000 0.746 297 A CB 1.472 20.587 19.000 0.192 0.000 1.277 297 A HN 0.329 nan 8.150 nan 0.000 0.425 298 H N -0.053 119.206 119.070 0.315 0.000 2.538 298 H HA 0.522 5.078 4.556 -0.000 0.000 0.353 298 H C 0.801 176.310 175.328 0.301 0.000 1.109 298 H CA 0.602 56.802 56.048 0.253 0.000 1.192 298 H CB 1.560 31.445 29.762 0.205 0.000 1.555 298 H HN 1.721 nan 8.280 nan 0.000 0.518 299 G N 3.565 112.115 108.800 -0.418 0.000 2.153 299 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.252 299 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.252 299 G C 0.737 175.656 174.900 0.032 0.000 0.994 299 G CA 0.595 45.568 45.100 -0.212 0.000 0.698 299 G HN 0.600 nan 8.290 nan 0.000 0.521 300 F N 1.081 120.946 119.950 -0.141 0.000 2.134 300 F HA 0.076 4.603 4.527 -0.000 0.000 0.299 300 F C 2.385 178.171 175.800 -0.024 0.000 1.097 300 F CA 2.335 60.189 58.000 -0.243 0.000 1.264 300 F CB -0.021 38.810 39.000 -0.280 0.000 1.001 300 F HN 0.286 nan 8.300 nan 0.000 0.479 301 E N 0.538 120.760 120.200 0.035 0.000 2.049 301 E HA -0.241 4.108 4.350 -0.000 0.000 0.198 301 E C 1.993 178.555 176.600 -0.063 0.000 1.007 301 E CA 2.056 58.445 56.400 -0.018 0.000 0.809 301 E CB -0.449 29.275 29.700 0.040 0.000 0.749 301 E HN 0.444 nan 8.360 nan 0.000 0.450 302 E N -0.491 119.705 120.200 -0.006 0.000 2.110 302 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 302 E C 1.657 178.294 176.600 0.062 0.000 0.988 302 E CA 1.037 57.453 56.400 0.026 0.000 0.804 302 E CB -0.382 29.349 29.700 0.052 0.000 0.745 302 E HN 0.363 nan 8.360 nan 0.000 0.458 303 W N 1.507 122.727 121.300 -0.133 0.000 2.354 303 W HA -0.159 4.501 4.660 -0.000 0.000 0.315 303 W C 2.404 178.832 176.519 -0.153 0.000 1.206 303 W CA 2.184 59.481 57.345 -0.080 0.000 1.290 303 W CB -0.647 28.748 29.460 -0.107 0.000 1.152 303 W HN 0.069 nan 8.180 nan 0.000 0.489 304 A N 0.307 122.888 122.820 -0.400 0.000 1.917 304 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 304 A C 1.744 179.115 177.584 -0.355 0.000 1.182 304 A CA 2.337 54.042 52.037 -0.553 0.000 0.633 304 A CB -1.138 17.531 19.000 -0.551 0.000 0.819 304 A HN 0.362 nan 8.150 nan 0.000 0.448 305 D N -1.997 118.276 120.400 -0.211 0.000 2.218 305 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 305 D C 1.602 177.799 176.300 -0.173 0.000 0.976 305 D CA 1.419 55.329 54.000 -0.150 0.000 0.853 305 D CB -0.359 40.396 40.800 -0.076 0.000 0.939 305 D HN 0.663 nan 8.370 nan 0.000 0.481 306 Y N 1.497 121.624 120.300 -0.288 0.000 2.242 306 Y HA -0.164 4.386 4.550 -0.000 0.000 0.291 306 Y C 2.099 177.739 175.900 -0.432 0.000 1.137 306 Y CA 0.888 58.798 58.100 -0.316 0.000 1.181 306 Y CB -0.242 38.050 38.460 -0.279 0.000 0.989 306 Y HN -0.218 nan 8.280 nan 0.000 0.527 307 V N 0.592 120.119 119.914 -0.645 0.000 2.358 307 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 307 V C 2.285 178.133 176.094 -0.409 0.000 1.047 307 V CA 1.829 63.745 62.300 -0.640 0.000 1.035 307 V CB -0.725 30.744 31.823 -0.590 0.000 0.658 307 V HN 0.404 nan 8.190 nan 0.000 0.452 308 L N 0.574 121.630 121.223 -0.279 0.000 2.622 308 L HA 0.168 4.507 4.340 -0.000 0.000 0.233 308 L C 1.788 178.544 176.870 -0.189 0.000 1.156 308 L CA 0.920 55.701 54.840 -0.099 0.000 0.866 308 L CB -0.818 41.169 42.059 -0.120 0.000 0.980 308 L HN 0.597 nan 8.230 nan 0.000 0.448 309 G N 0.163 108.738 108.800 -0.375 0.000 2.143 309 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.249 309 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.249 309 G C 0.940 175.692 174.900 -0.247 0.000 0.981 309 G CA 0.453 45.320 45.100 -0.388 0.000 0.665 309 G HN 0.393 nan 8.290 nan 0.000 0.528 310 K N -0.217 120.068 120.400 -0.191 0.000 2.283 310 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 310 K C 2.470 179.019 176.600 -0.086 0.000 1.048 310 K CA 1.693 57.910 56.287 -0.117 0.000 0.948 310 K CB -0.064 32.382 32.500 -0.090 0.000 0.742 310 K HN 0.618 nan 8.250 nan 0.000 0.458 311 T N -1.752 112.753 114.554 -0.082 0.000 2.971 311 T HA -0.003 4.347 4.350 -0.000 0.000 0.252 311 T C 1.064 175.752 174.700 -0.020 0.000 1.022 311 T CA 0.308 62.397 62.100 -0.020 0.000 0.980 311 T CB 0.170 69.068 68.868 0.049 0.000 1.044 311 T HN 0.138 nan 8.240 nan 0.000 0.501 312 D N 0.694 121.045 120.400 -0.082 0.000 2.474 312 D HA 0.248 4.888 4.640 -0.000 0.000 0.213 312 D C 1.589 177.812 176.300 -0.128 0.000 1.120 312 D CA 0.435 54.387 54.000 -0.080 0.000 0.836 312 D CB -0.451 40.305 40.800 -0.074 0.000 1.019 312 D HN 0.502 nan 8.370 nan 0.000 0.507 313 G N -0.022 108.682 108.800 -0.160 0.000 2.147 313 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 313 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 313 G C 0.024 174.798 174.900 -0.211 0.000 1.005 313 G CA 0.514 45.523 45.100 -0.153 0.000 0.713 313 G HN 0.454 nan 8.290 nan 0.000 0.515 314 T N 1.496 115.852 114.554 -0.329 0.000 3.068 314 T HA 0.498 4.848 4.350 -0.000 0.000 0.364 314 T C -2.751 171.547 174.700 -0.670 0.000 1.161 314 T CA -0.974 60.851 62.100 -0.458 0.000 1.155 314 T CB 2.694 71.267 68.868 -0.492 0.000 1.060 314 T HN 0.049 nan 8.240 nan 0.000 0.513 315 P HA 0.151 nan 4.420 nan 0.000 0.268 315 P C -0.042 176.647 177.300 -1.019 0.000 1.204 315 P CA -0.530 62.180 63.100 -0.649 0.000 0.768 315 P CB 0.524 31.962 31.700 -0.438 0.000 0.842 316 K N 2.481 122.200 120.400 -1.134 0.000 2.480 316 K HA 0.125 4.445 4.320 -0.000 0.000 0.241 316 K C 0.570 176.661 176.600 -0.849 0.000 1.261 316 K CA 0.132 55.699 56.287 -1.200 0.000 1.193 316 K CB -1.169 30.783 32.500 -0.914 0.000 1.598 316 K HN 0.491 nan 8.250 nan 0.000 0.278 317 T N -3.233 110.869 114.554 -0.753 0.000 2.788 317 T HA 0.051 4.401 4.350 -0.000 0.000 0.287 317 T C 1.635 176.327 174.700 -0.014 0.000 1.007 317 T CA -0.611 61.184 62.100 -0.509 0.000 1.005 317 T CB 0.921 69.596 68.868 -0.322 0.000 1.012 317 T HN 0.391 nan 8.240 nan 0.000 0.530 318 C N 0.751 120.068 119.300 0.029 0.000 2.435 318 C HA 0.032 4.492 4.460 -0.000 0.000 0.279 318 C C 2.787 177.788 174.990 0.018 0.000 1.321 318 C CA 0.490 59.546 59.018 0.063 0.000 1.752 318 C CB -1.411 26.374 27.740 0.073 0.000 1.959 318 C HN 0.993 nan 8.230 nan 0.000 0.500 319 E N -0.388 119.818 120.200 0.011 0.000 2.150 319 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 319 E C 1.628 178.218 176.600 -0.017 0.000 0.985 319 E CA 1.016 57.408 56.400 -0.013 0.000 0.814 319 E CB -0.266 29.430 29.700 -0.008 0.000 0.752 319 E HN 0.867 nan 8.360 nan 0.000 0.466 320 W N 1.018 122.212 121.300 -0.177 0.000 2.409 320 W HA -0.013 4.647 4.660 -0.000 0.000 0.299 320 W C 2.152 178.558 176.519 -0.189 0.000 1.203 320 W CA 1.713 58.935 57.345 -0.205 0.000 1.298 320 W CB -0.361 28.925 29.460 -0.291 0.000 1.127 320 W HN 0.024 nan 8.180 nan 0.000 0.528 321 A N 0.352 122.981 122.820 -0.318 0.000 1.933 321 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 321 A C 2.007 179.348 177.584 -0.405 0.000 1.175 321 A CA 1.903 53.613 52.037 -0.545 0.000 0.628 321 A CB -1.102 17.837 19.000 -0.103 0.000 0.814 321 A HN 0.547 nan 8.150 nan 0.000 0.444 322 E N -0.302 119.748 120.200 -0.250 0.000 2.118 322 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 322 E C 1.949 178.407 176.600 -0.237 0.000 0.992 322 E CA 1.354 57.631 56.400 -0.205 0.000 0.804 322 E CB -0.144 29.467 29.700 -0.147 0.000 0.741 322 E HN 0.761 nan 8.360 nan 0.000 0.458 323 E N -0.389 119.637 120.200 -0.289 0.000 2.204 323 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 323 E C 1.689 178.104 176.600 -0.307 0.000 0.989 323 E CA 0.769 57.009 56.400 -0.267 0.000 0.824 323 E CB 0.267 29.816 29.700 -0.252 0.000 0.756 323 E HN 0.244 nan 8.360 nan 0.000 0.477 324 E N -0.183 119.753 120.200 -0.440 0.000 2.057 324 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 324 E C 2.204 178.687 176.600 -0.196 0.000 0.969 324 E CA 1.293 57.483 56.400 -0.350 0.000 0.812 324 E CB -0.118 29.241 29.700 -0.569 0.000 0.777 324 E HN 0.227 nan 8.360 nan 0.000 0.455 325 S N -1.036 114.549 115.700 -0.193 0.000 2.486 325 S HA 0.202 4.671 4.470 -0.000 0.000 0.220 325 S C 1.671 176.201 174.600 -0.117 0.000 1.011 325 S CA 0.827 58.967 58.200 -0.101 0.000 0.921 325 S CB 0.569 63.744 63.200 -0.042 0.000 0.785 325 S HN 0.337 nan 8.310 nan 0.000 0.517 326 G N 0.518 109.226 108.800 -0.153 0.000 2.175 326 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 326 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 326 G C 0.016 174.804 174.900 -0.188 0.000 0.982 326 G CA 0.008 45.016 45.100 -0.153 0.000 0.641 326 G HN 0.704 nan 8.290 nan 0.000 0.527 327 V N 2.024 121.815 119.914 -0.205 0.000 2.498 327 V HA 0.409 4.528 4.120 -0.000 0.000 0.279 327 V C -1.556 174.374 176.094 -0.273 0.000 1.048 327 V CA -1.526 60.594 62.300 -0.299 0.000 0.967 327 V CB 1.347 32.981 31.823 -0.313 0.000 0.988 327 V HN 0.096 nan 8.190 nan 0.000 0.473 328 P HA 0.006 nan 4.420 nan 0.000 0.260 328 P C 0.657 177.856 177.300 -0.169 0.000 1.185 328 P CA 0.366 63.337 63.100 -0.215 0.000 0.763 328 P CB 0.628 32.196 31.700 -0.219 0.000 0.776 329 A N 3.940 126.698 122.820 -0.103 0.000 1.986 329 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 329 A C 2.089 179.664 177.584 -0.015 0.000 1.171 329 A CA 2.062 54.071 52.037 -0.048 0.000 0.640 329 A CB -1.703 17.279 19.000 -0.030 0.000 0.811 329 A HN 0.741 nan 8.150 nan 0.000 0.451 330 C N -1.143 118.141 119.300 -0.027 0.000 2.432 330 C HA 0.059 4.518 4.460 -0.000 0.000 0.282 330 C C 2.039 177.042 174.990 0.021 0.000 1.388 330 C CA 0.795 59.816 59.018 0.005 0.000 1.777 330 C CB -1.282 26.457 27.740 -0.003 0.000 1.882 330 C HN 0.645 nan 8.230 nan 0.000 0.520 331 E N 1.080 121.258 120.200 -0.036 0.000 2.250 331 E HA 0.092 4.442 4.350 -0.000 0.000 0.192 331 E C 2.037 178.732 176.600 0.158 0.000 0.986 331 E CA 0.643 57.040 56.400 -0.005 0.000 0.849 331 E CB -0.054 29.463 29.700 -0.303 0.000 0.797 331 E HN 0.697 nan 8.360 nan 0.000 0.482 332 I N 1.153 121.779 120.570 0.092 0.000 2.163 332 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 332 I C 2.781 179.020 176.117 0.203 0.000 1.081 332 I CA 1.060 62.484 61.300 0.208 0.000 1.353 332 I CB -0.218 37.856 38.000 0.123 0.000 1.054 332 I HN -0.004 nan 8.210 nan 0.000 0.407 333 R N 1.259 121.848 120.500 0.148 0.000 2.096 333 R HA -0.162 4.177 4.340 -0.000 0.000 0.235 333 R C 2.368 178.778 176.300 0.184 0.000 1.127 333 R CA 1.502 57.693 56.100 0.152 0.000 0.968 333 R CB -0.228 30.146 30.300 0.124 0.000 0.861 333 R HN 0.356 nan 8.270 nan 0.000 0.440 334 A N 1.206 124.134 122.820 0.180 0.000 1.908 334 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 334 A C 2.027 179.756 177.584 0.242 0.000 1.181 334 A CA 1.383 53.534 52.037 0.191 0.000 0.627 334 A CB -0.648 18.455 19.000 0.171 0.000 0.818 334 A HN 0.398 nan 8.150 nan 0.000 0.445 335 L N -0.188 121.205 121.223 0.283 0.000 2.017 335 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 335 L C 2.684 179.817 176.870 0.437 0.000 1.073 335 L CA 2.310 57.339 54.840 0.315 0.000 0.745 335 L CB -0.981 41.254 42.059 0.293 0.000 0.894 335 L HN 0.356 nan 8.230 nan 0.000 0.432 336 A N -0.172 122.879 122.820 0.385 0.000 1.873 336 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 336 A C 2.424 180.383 177.584 0.624 0.000 1.193 336 A CA 2.213 54.502 52.037 0.420 0.000 0.629 336 A CB -0.655 18.403 19.000 0.098 0.000 0.826 336 A HN 0.541 nan 8.150 nan 0.000 0.447 337 R N -1.398 119.350 120.500 0.413 0.000 2.096 337 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 337 R C 2.490 178.983 176.300 0.321 0.000 1.127 337 R CA 1.564 57.871 56.100 0.346 0.000 0.968 337 R CB -0.254 30.188 30.300 0.236 0.000 0.861 337 R HN 0.618 nan 8.270 nan 0.000 0.440 338 Q N 0.013 120.006 119.800 0.322 0.000 2.079 338 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 338 Q C 1.608 177.817 176.000 0.347 0.000 0.974 338 Q CA 1.305 57.271 55.803 0.271 0.000 0.840 338 Q CB -0.288 28.585 28.738 0.225 0.000 0.898 338 Q HN 0.384 nan 8.270 nan 0.000 0.430 339 W N 0.487 121.937 121.300 0.249 0.000 2.338 339 W HA -0.149 4.511 4.660 -0.000 0.000 0.304 339 W C 1.919 178.530 176.519 0.152 0.000 1.212 339 W CA 2.165 59.674 57.345 0.274 0.000 1.264 339 W CB -0.856 28.907 29.460 0.505 0.000 1.142 339 W HN 0.283 nan 8.180 nan 0.000 0.512 340 A N 0.946 123.999 122.820 0.388 0.000 1.898 340 A HA -0.209 4.110 4.320 -0.000 0.000 0.216 340 A C 2.035 179.633 177.584 0.024 0.000 1.181 340 A CA 2.238 54.257 52.037 -0.030 0.000 0.620 340 A CB -0.752 18.152 19.000 -0.161 0.000 0.819 340 A HN 0.452 nan 8.150 nan 0.000 0.442 341 K N -1.253 119.210 120.400 0.106 0.000 2.365 341 K HA 0.088 4.408 4.320 -0.000 0.000 0.197 341 K C 0.041 176.690 176.600 0.082 0.000 1.042 341 K CA 0.364 56.696 56.287 0.075 0.000 0.987 341 K CB 0.130 32.682 32.500 0.087 0.000 0.779 341 K HN 0.067 nan 8.250 nan 0.000 0.484 342 K N 1.645 122.116 120.400 0.118 0.000 2.166 342 K HA 0.227 4.547 4.320 -0.000 0.000 0.245 342 K C -0.709 175.948 176.600 0.095 0.000 0.967 342 K CA -0.911 55.441 56.287 0.108 0.000 0.863 342 K CB 1.046 33.619 32.500 0.121 0.000 1.107 342 K HN -0.058 nan 8.250 nan 0.000 0.436 343 N N 1.708 120.462 118.700 0.089 0.000 2.406 343 N HA 0.054 4.794 4.740 -0.000 0.000 0.269 343 N C -0.826 174.728 175.510 0.074 0.000 1.210 343 N CA 0.411 53.496 53.050 0.059 0.000 0.966 343 N CB 0.045 38.605 38.487 0.121 0.000 1.293 343 N HN 0.275 nan 8.380 nan 0.000 0.491 344 T N 2.549 117.112 114.554 0.015 0.000 2.794 344 T HA 0.333 4.683 4.350 -0.000 0.000 0.280 344 T C -0.267 174.376 174.700 -0.094 0.000 0.987 344 T CA -0.332 61.756 62.100 -0.020 0.000 0.993 344 T CB 0.495 69.272 68.868 -0.152 0.000 0.939 344 T HN 0.180 nan 8.240 nan 0.000 0.449 345 Y N 2.054 122.329 120.300 -0.042 0.000 2.342 345 Y HA 0.536 5.086 4.550 -0.000 0.000 0.334 345 Y C 0.000 175.812 175.900 -0.146 0.000 1.067 345 Y CA -1.289 56.813 58.100 0.005 0.000 1.128 345 Y CB 1.053 39.583 38.460 0.116 0.000 1.200 345 Y HN 0.395 nan 8.280 nan 0.000 0.464 346 L N 3.813 125.097 121.223 0.102 0.000 2.255 346 L HA 0.646 4.986 4.340 -0.000 0.000 0.289 346 L C -0.093 176.758 176.870 -0.031 0.000 1.046 346 L CA -0.641 54.220 54.840 0.036 0.000 0.816 346 L CB 0.293 42.521 42.059 0.282 0.000 1.197 346 L HN 0.686 nan 8.230 nan 0.000 0.427 347 A N 5.498 128.175 122.820 -0.239 0.000 2.923 347 A HA 0.714 5.034 4.320 -0.000 0.000 0.306 347 A C 0.368 177.959 177.584 0.011 0.000 1.542 347 A CA -0.037 51.827 52.037 -0.289 0.000 1.225 347 A CB -0.604 17.900 19.000 -0.826 0.000 1.147 347 A HN 0.929 nan 8.150 nan 0.000 0.542 348 A N 1.995 124.889 122.820 0.124 0.000 2.309 348 A HA 0.684 5.004 4.320 -0.000 0.000 0.290 348 A C 1.013 178.811 177.584 0.357 0.000 1.206 348 A CA 0.460 52.703 52.037 0.345 0.000 0.850 348 A CB -0.462 18.689 19.000 0.252 0.000 1.118 348 A HN 2.597 nan 8.150 nan 0.000 0.523 349 G N 1.497 110.601 108.800 0.506 0.000 2.829 349 G HA2 0.170 4.129 3.960 -0.000 0.000 0.628 349 G HA3 0.170 4.129 3.960 -0.000 0.000 0.628 349 G C 0.858 175.869 174.900 0.185 0.000 1.412 349 G CA -0.063 45.254 45.100 0.362 0.000 0.864 349 G HN 1.710 nan 8.290 nan 0.000 0.544 350 G N -1.184 107.707 108.800 0.152 0.000 2.539 350 G HA2 0.313 4.273 3.960 -0.000 0.000 0.215 350 G HA3 0.313 4.273 3.960 -0.000 0.000 0.215 350 G C 1.777 176.678 174.900 0.003 0.000 1.141 350 G CA 1.567 46.716 45.100 0.081 0.000 0.806 350 G HN 1.233 nan 8.290 nan 0.000 0.533 351 L N 0.261 121.475 121.223 -0.015 0.000 2.249 351 L HA 0.457 4.797 4.340 -0.000 0.000 0.207 351 L C 1.169 177.866 176.870 -0.288 0.000 1.090 351 L CA 1.634 56.345 54.840 -0.215 0.000 0.802 351 L CB 0.158 41.891 42.059 -0.544 0.000 0.947 351 L HN 0.343 nan 8.230 nan 0.000 0.453 352 G N -1.021 107.613 108.800 -0.276 0.000 2.499 352 G HA2 0.451 4.411 3.960 -0.000 0.000 0.474 352 G HA3 0.451 4.411 3.960 -0.000 0.000 0.474 352 G C 0.152 174.756 174.900 -0.494 0.000 1.044 352 G CA -0.417 44.514 45.100 -0.281 0.000 1.316 352 G HN 1.050 nan 8.290 nan 0.000 0.617 353 G N 0.443 108.913 108.800 -0.549 0.000 2.409 353 G HA2 0.446 4.406 3.960 -0.000 0.000 0.421 353 G HA3 0.446 4.406 3.960 -0.000 0.000 0.421 353 G C 0.364 174.939 174.900 -0.541 0.000 1.259 353 G CA 0.505 44.898 45.100 -1.179 0.000 1.011 353 G HN 2.045 nan 8.290 nan 0.000 0.497 354 W N -1.765 119.051 121.300 -0.806 0.000 2.962 354 W HA 0.326 4.986 4.660 -0.000 0.000 0.227 354 W C 1.247 177.987 176.519 0.367 0.000 0.611 354 W CA 2.378 59.639 57.345 -0.140 0.000 0.492 354 W CB -1.458 27.839 29.460 -0.272 0.000 2.512 354 W HN 3.011 nan 8.180 nan 0.000 0.399 355 G N -1.359 107.683 108.800 0.402 0.000 2.841 355 G HA2 0.490 4.450 3.960 -0.000 0.000 0.684 355 G HA3 0.490 4.450 3.960 -0.000 0.000 0.684 355 G C 0.359 175.259 174.900 0.001 0.000 1.273 355 G CA 0.462 45.707 45.100 0.241 0.000 0.811 355 G HN 1.686 nan 8.290 nan 0.000 0.631 356 G N 0.479 109.205 108.800 -0.124 0.000 2.448 356 G HA2 0.235 4.195 3.960 -0.000 0.000 0.219 356 G HA3 0.235 4.195 3.960 -0.000 0.000 0.219 356 G C 2.043 176.831 174.900 -0.188 0.000 1.127 356 G CA 2.456 47.465 45.100 -0.152 0.000 0.766 356 G HN 2.006 nan 8.290 nan 0.000 0.552 357 A N 0.620 123.188 122.820 -0.421 0.000 1.972 357 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 357 A C 2.666 179.949 177.584 -0.500 0.000 1.169 357 A CA 1.988 53.605 52.037 -0.701 0.000 0.635 357 A CB -1.121 16.802 19.000 -1.794 0.000 0.810 357 A HN 0.981 nan 8.150 nan 0.000 0.446 358 C N -0.089 119.105 119.300 -0.175 0.000 2.432 358 C HA 0.095 4.555 4.460 -0.000 0.000 0.282 358 C C 1.673 176.712 174.990 0.082 0.000 1.388 358 C CA 0.437 59.529 59.018 0.123 0.000 1.777 358 C CB -1.380 26.634 27.740 0.456 0.000 1.882 358 C HN 0.623 nan 8.230 nan 0.000 0.520 359 R N 0.876 121.400 120.500 0.041 0.000 3.463 359 R HA 0.726 5.066 4.340 -0.000 0.000 0.303 359 R C -0.338 175.984 176.300 0.035 0.000 1.370 359 R CA 0.306 56.451 56.100 0.074 0.000 1.524 359 R CB 0.066 30.414 30.300 0.080 0.000 1.389 359 R HN 0.469 nan 8.270 nan 0.000 0.640 360 A N 0.448 123.279 122.820 0.019 0.000 2.564 360 A HA 0.407 4.727 4.320 -0.000 0.000 0.288 360 A C 0.690 178.273 177.584 -0.003 0.000 1.164 360 A CA -0.467 51.581 52.037 0.019 0.000 0.712 360 A CB 1.302 20.378 19.000 0.127 0.000 1.303 360 A HN 0.390 nan 8.150 nan 0.000 0.418 361 S N 0.147 115.729 115.700 -0.196 0.000 2.465 361 S HA -0.188 4.282 4.470 -0.000 0.000 0.241 361 S C 1.048 175.590 174.600 -0.098 0.000 1.000 361 S CA 1.828 59.758 58.200 -0.451 0.000 0.964 361 S CB -0.562 61.752 63.200 -1.477 0.000 0.763 361 S HN 1.100 nan 8.310 nan 0.000 0.512 362 H N -0.559 118.390 119.070 -0.201 0.000 2.592 362 H HA 0.464 5.020 4.556 -0.000 0.000 0.279 362 H C 1.580 176.825 175.328 -0.137 0.000 1.089 362 H CA -0.038 55.883 56.048 -0.212 0.000 1.150 362 H CB -0.950 28.637 29.762 -0.292 0.000 1.575 362 H HN 0.302 nan 8.280 nan 0.000 0.547 363 G N 2.198 110.841 108.800 -0.261 0.000 2.529 363 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.219 363 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.219 363 G C 1.670 176.485 174.900 -0.143 0.000 1.177 363 G CA 1.580 46.554 45.100 -0.211 0.000 0.773 363 G HN 0.397 nan 8.290 nan 0.000 0.573 364 I N 0.658 121.196 120.570 -0.052 0.000 2.068 364 I HA -0.209 3.961 4.170 -0.000 0.000 0.238 364 I C 2.783 178.798 176.117 -0.171 0.000 1.046 364 I CA 1.595 62.863 61.300 -0.052 0.000 1.306 364 I CB -0.260 37.782 38.000 0.071 0.000 1.023 364 I HN 0.110 nan 8.210 nan 0.000 0.399 365 E N -0.177 119.960 120.200 -0.105 0.000 2.204 365 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 365 E C 1.625 178.112 176.600 -0.189 0.000 0.990 365 E CA 1.088 57.462 56.400 -0.043 0.000 0.821 365 E CB -0.490 29.295 29.700 0.141 0.000 0.750 365 E HN 0.637 nan 8.360 nan 0.000 0.477 366 W N 1.815 122.839 121.300 -0.461 0.000 2.354 366 W HA -0.122 4.538 4.660 -0.000 0.000 0.315 366 W C 2.434 178.534 176.519 -0.700 0.000 1.206 366 W CA 2.323 59.361 57.345 -0.511 0.000 1.290 366 W CB -0.590 28.506 29.460 -0.607 0.000 1.152 366 W HN 0.045 nan 8.180 nan 0.000 0.489 367 A N 0.869 123.073 122.820 -1.027 0.000 1.883 367 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 367 A C 2.099 178.863 177.584 -1.368 0.000 1.186 367 A CA 2.030 53.016 52.037 -1.750 0.000 0.624 367 A CB -0.863 17.116 19.000 -1.702 0.000 0.822 367 A HN 0.404 nan 8.150 nan 0.000 0.444 368 R N -1.096 118.795 120.500 -1.016 0.000 2.096 368 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 368 R C 2.409 177.985 176.300 -1.205 0.000 1.127 368 R CA 1.126 56.576 56.100 -1.084 0.000 0.968 368 R CB -0.657 29.025 30.300 -1.030 0.000 0.861 368 R HN 0.554 nan 8.270 nan 0.000 0.440 369 G N 0.920 109.087 108.800 -1.054 0.000 2.422 369 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 369 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 369 G C 1.413 175.902 174.900 -0.686 0.000 1.146 369 G CA 0.454 45.161 45.100 -0.656 0.000 0.769 369 G HN 0.075 nan 8.290 nan 0.000 0.547 370 M N 0.266 119.288 119.600 -0.963 0.000 2.159 370 M HA 0.107 4.587 4.480 -0.000 0.000 0.263 370 M C 2.577 178.544 176.300 -0.554 0.000 1.063 370 M CA 0.848 55.664 55.300 -0.806 0.000 1.110 370 M CB -0.856 31.100 32.600 -1.074 0.000 1.374 370 M HN 0.248 nan 8.290 nan 0.000 0.411 371 I N -0.103 120.016 120.570 -0.751 0.000 2.286 371 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 371 I C 2.607 178.423 176.117 -0.502 0.000 1.104 371 I CA 0.936 61.786 61.300 -0.750 0.000 1.397 371 I CB -0.571 36.730 38.000 -1.164 0.000 1.072 371 I HN 0.187 nan 8.210 nan 0.000 0.417 372 A N 1.045 123.534 122.820 -0.552 0.000 1.883 372 A HA -0.209 4.110 4.320 -0.000 0.000 0.217 372 A C 2.140 179.740 177.584 0.027 0.000 1.186 372 A CA 1.674 53.540 52.037 -0.285 0.000 0.624 372 A CB -0.817 18.022 19.000 -0.269 0.000 0.822 372 A HN 0.282 nan 8.150 nan 0.000 0.444 373 L N -0.374 120.833 121.223 -0.027 0.000 2.017 373 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 373 L C 3.015 179.968 176.870 0.138 0.000 1.073 373 L CA 2.023 56.925 54.840 0.104 0.000 0.745 373 L CB -1.046 40.951 42.059 -0.104 0.000 0.894 373 L HN 0.398 nan 8.230 nan 0.000 0.432 374 A N -1.538 121.326 122.820 0.074 0.000 1.933 374 A HA -0.193 4.126 4.320 -0.000 0.000 0.218 374 A C 2.374 179.972 177.584 0.022 0.000 1.175 374 A CA 2.227 54.321 52.037 0.096 0.000 0.628 374 A CB -0.962 18.091 19.000 0.088 0.000 0.814 374 A HN 0.447 nan 8.150 nan 0.000 0.444 375 T N 0.070 114.651 114.554 0.046 0.000 2.737 375 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 375 T C 1.908 176.601 174.700 -0.011 0.000 1.038 375 T CA 1.704 63.872 62.100 0.113 0.000 1.144 375 T CB -0.307 68.708 68.868 0.246 0.000 0.866 375 T HN 0.446 nan 8.240 nan 0.000 0.434 376 M N 0.814 120.448 119.600 0.056 0.000 2.279 376 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 376 M C 1.996 178.187 176.300 -0.182 0.000 1.062 376 M CA 1.121 56.419 55.300 -0.003 0.000 1.099 376 M CB -0.167 32.525 32.600 0.155 0.000 1.394 376 M HN 0.068 nan 8.290 nan 0.000 0.426 377 Q N -0.206 119.430 119.800 -0.273 0.000 2.360 377 Q HA 0.170 4.510 4.340 -0.000 0.000 0.202 377 Q C 0.770 176.519 176.000 -0.418 0.000 0.915 377 Q CA 0.565 56.158 55.803 -0.349 0.000 0.943 377 Q CB 0.494 29.095 28.738 -0.228 0.000 1.064 377 Q HN 0.651 nan 8.270 nan 0.000 0.511 378 G N 2.719 111.078 108.800 -0.736 0.000 2.341 378 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.278 378 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.278 378 G C 0.213 174.686 174.900 -0.711 0.000 1.111 378 G CA 0.393 44.637 45.100 -1.427 0.000 0.982 378 G HN 0.393 nan 8.290 nan 0.000 0.502 379 M N -0.693 118.680 119.600 -0.379 0.000 2.251 379 M HA 0.459 4.939 4.480 -0.000 0.000 0.343 379 M C 1.438 177.802 176.300 0.107 0.000 1.245 379 M CA 1.409 56.684 55.300 -0.040 0.000 1.061 379 M CB 0.778 33.440 32.600 0.105 0.000 1.723 379 M HN 1.655 nan 8.290 nan 0.000 0.449 380 G N 2.535 111.366 108.800 0.053 0.000 2.436 380 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.204 380 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.204 380 G C 0.018 174.934 174.900 0.026 0.000 1.026 380 G CA 0.034 45.176 45.100 0.070 0.000 0.658 380 G HN 1.014 nan 8.290 nan 0.000 0.499 381 K N 1.369 121.767 120.400 -0.003 0.000 2.138 381 K HA 0.560 4.880 4.320 -0.000 0.000 0.251 381 K C -2.796 173.738 176.600 -0.109 0.000 1.015 381 K CA -1.449 54.811 56.287 -0.045 0.000 0.917 381 K CB 0.602 33.071 32.500 -0.052 0.000 1.021 381 K HN 0.080 nan 8.250 nan 0.000 0.485 382 P HA -0.006 nan 4.420 nan 0.000 0.263 382 P C 0.328 177.436 177.300 -0.320 0.000 1.195 382 P CA 1.154 64.062 63.100 -0.320 0.000 0.762 382 P CB 0.507 31.896 31.700 -0.518 0.000 0.799 383 G N 1.877 110.573 108.800 -0.173 0.000 2.159 383 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.256 383 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.256 383 G C 0.253 174.858 174.900 -0.491 0.000 0.977 383 G CA 0.210 45.242 45.100 -0.113 0.000 0.652 383 G HN 0.762 nan 8.290 nan 0.000 0.531 384 S N -0.104 115.283 115.700 -0.521 0.000 2.736 384 S HA 0.695 5.165 4.470 -0.000 0.000 0.285 384 S C -0.695 173.687 174.600 -0.363 0.000 1.163 384 S CA -0.102 57.816 58.200 -0.471 0.000 1.025 384 S CB 1.214 64.260 63.200 -0.256 0.000 1.030 384 S HN 0.671 nan 8.310 nan 0.000 0.486 385 N N 2.485 120.984 118.700 -0.336 0.000 3.373 385 N HA 0.276 5.016 4.740 -0.000 0.000 0.275 385 N C -1.917 173.678 175.510 0.142 0.000 1.489 385 N CA -0.512 52.524 53.050 -0.022 0.000 0.872 385 N CB 1.288 39.831 38.487 0.094 0.000 1.555 385 N HN 0.645 nan 8.380 nan 0.000 0.500 386 M N 1.682 121.401 119.600 0.198 0.000 2.047 386 M HA 0.366 4.846 4.480 -0.000 0.000 0.342 386 M C -1.738 174.722 176.300 0.267 0.000 1.058 386 M CA -0.571 54.849 55.300 0.200 0.000 0.991 386 M CB 0.546 33.238 32.600 0.153 0.000 1.474 386 M HN 0.498 nan 8.290 nan 0.000 0.419 387 W N 3.243 124.572 121.300 0.049 0.000 2.957 387 W HA 0.434 5.094 4.660 -0.000 0.000 0.336 387 W C -0.953 175.472 176.519 -0.157 0.000 1.087 387 W CA -0.630 56.689 57.345 -0.044 0.000 1.235 387 W CB 1.856 31.309 29.460 -0.011 0.000 1.399 387 W HN 0.475 nan 8.180 nan 0.000 0.480 388 S N 2.409 117.807 115.700 -0.504 0.000 2.572 388 S HA 0.027 4.497 4.470 -0.000 0.000 0.228 388 S C 1.399 175.502 174.600 -0.829 0.000 0.963 388 S CA 0.770 58.620 58.200 -0.583 0.000 0.939 388 S CB -0.100 62.944 63.200 -0.260 0.000 0.804 388 S HN 0.941 nan 8.310 nan 0.000 0.480 389 T N -0.993 112.490 114.554 -1.785 0.000 8.709 389 T HA -0.320 4.030 4.350 -0.000 0.000 0.337 389 T C 1.291 175.726 174.700 -0.442 0.000 1.937 389 T CA 2.255 63.471 62.100 -1.473 0.000 2.878 389 T CB -2.625 65.694 68.868 -0.915 0.000 2.537 389 T HN 0.587 nan 8.240 nan 0.000 1.198 390 T N -1.857 112.519 114.554 -0.297 0.000 2.976 390 T HA 0.290 4.640 4.350 -0.000 0.000 0.257 390 T C 0.959 175.648 174.700 -0.019 0.000 1.051 390 T CA 0.601 62.632 62.100 -0.117 0.000 1.141 390 T CB 0.062 68.855 68.868 -0.124 0.000 0.881 390 T HN 0.824 nan 8.240 nan 0.000 0.461 391 Q N -0.087 119.743 119.800 0.050 0.000 2.286 391 Q HA 0.566 4.905 4.340 -0.000 0.000 0.250 391 Q C 0.647 176.769 176.000 0.202 0.000 1.021 391 Q CA -0.467 55.366 55.803 0.049 0.000 0.930 391 Q CB 1.508 30.191 28.738 -0.091 0.000 1.266 391 Q HN 0.456 nan 8.270 nan 0.000 0.491 392 G N -0.695 108.119 108.800 0.024 0.000 2.184 392 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.206 392 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.206 392 G C -0.001 174.856 174.900 -0.072 0.000 0.995 392 G CA -0.077 45.003 45.100 -0.033 0.000 0.651 392 G HN 0.359 nan 8.290 nan 0.000 0.511 393 V N 1.240 121.108 119.914 -0.078 0.000 2.673 393 V HA 0.256 4.375 4.120 -0.000 0.000 0.303 393 V C -0.996 174.869 176.094 -0.381 0.000 1.046 393 V CA -0.262 61.859 62.300 -0.298 0.000 1.126 393 V CB 0.951 32.661 31.823 -0.189 0.000 0.934 393 V HN 0.136 nan 8.190 nan 0.000 0.487 394 P HA 0.143 nan 4.420 nan 0.000 0.246 394 P C -0.084 176.908 177.300 -0.514 0.000 1.675 394 P CA 0.277 63.030 63.100 -0.578 0.000 0.908 394 P CB -0.193 31.165 31.700 -0.571 0.000 1.890 395 L N -0.468 120.496 121.223 -0.432 0.000 2.479 395 L HA 0.259 4.599 4.340 -0.000 0.000 0.249 395 L C 1.038 177.721 176.870 -0.313 0.000 1.178 395 L CA -0.579 54.143 54.840 -0.196 0.000 0.811 395 L CB 0.253 42.386 42.059 0.123 0.000 1.187 395 L HN -0.070 nan 8.230 nan 0.000 0.480 396 D N -0.664 119.717 120.400 -0.032 0.000 2.402 396 D HA 0.067 4.707 4.640 -0.000 0.000 0.235 396 D C 0.654 177.128 176.300 0.290 0.000 1.226 396 D CA 0.220 54.257 54.000 0.062 0.000 0.918 396 D CB 0.156 41.046 40.800 0.149 0.000 1.043 396 D HN 0.283 nan 8.370 nan 0.000 0.506 397 Y N 1.400 121.906 120.300 0.343 0.000 2.497 397 Y HA -0.078 4.472 4.550 -0.000 0.000 0.292 397 Y C 1.934 178.053 175.900 0.364 0.000 1.137 397 Y CA 0.215 58.567 58.100 0.420 0.000 1.285 397 Y CB 0.317 38.987 38.460 0.350 0.000 0.991 397 Y HN 0.402 nan 8.280 nan 0.000 0.556 398 E N 0.103 120.558 120.200 0.424 0.000 2.216 398 E HA -0.116 4.233 4.350 -0.000 0.000 0.192 398 E C 0.124 176.934 176.600 0.351 0.000 0.988 398 E CA 0.017 56.611 56.400 0.324 0.000 0.834 398 E CB 0.005 29.849 29.700 0.240 0.000 0.772 398 E HN 0.212 nan 8.360 nan 0.000 0.479 399 F N 1.169 121.281 119.950 0.270 0.000 2.484 399 F HA 0.124 4.651 4.527 -0.000 0.000 0.360 399 F C -0.497 175.494 175.800 0.320 0.000 1.101 399 F CA -0.576 57.585 58.000 0.268 0.000 1.251 399 F CB 0.396 39.532 39.000 0.225 0.000 1.132 399 F HN -0.166 nan 8.300 nan 0.000 0.570 400 Y N 7.862 127.771 120.300 -0.652 0.000 2.328 400 Y HA 0.508 5.058 4.550 -0.000 0.000 0.336 400 Y C -2.016 173.628 175.900 -0.426 0.000 0.960 400 Y CA -1.716 56.171 58.100 -0.354 0.000 1.134 400 Y CB 0.924 39.290 38.460 -0.156 0.000 1.166 400 Y HN 0.561 nan 8.280 nan 0.000 0.464 401 F N 8.718 128.097 119.950 -0.951 0.000 2.573 401 F HA 0.634 5.161 4.527 -0.000 0.000 0.316 401 F C -2.728 172.626 175.800 -0.744 0.000 1.148 401 F CA -2.609 54.930 58.000 -0.767 0.000 0.940 401 F CB 1.800 40.681 39.000 -0.198 0.000 1.214 401 F HN 0.389 nan 8.300 nan 0.000 0.448 402 P HA 0.272 nan 4.420 nan 0.000 0.269 402 P C -0.392 176.694 177.300 -0.357 0.000 1.217 402 P CA -0.037 62.572 63.100 -0.818 0.000 0.783 402 P CB 0.719 31.619 31.700 -1.334 0.000 0.898 403 G N 0.009 108.674 108.800 -0.225 0.000 2.552 403 G HA2 0.357 4.317 3.960 -0.000 0.000 0.324 403 G HA3 0.357 4.317 3.960 -0.000 0.000 0.324 403 G C 0.033 174.735 174.900 -0.329 0.000 1.217 403 G CA -0.560 44.415 45.100 -0.208 0.000 0.989 403 G HN 0.558 nan 8.290 nan 0.000 0.490 404 Y N -1.426 118.644 120.300 -0.384 0.000 2.352 404 Y HA 0.168 4.717 4.550 -0.000 0.000 0.292 404 Y C 2.448 178.041 175.900 -0.511 0.000 1.136 404 Y CA 1.032 58.812 58.100 -0.533 0.000 1.227 404 Y CB -0.726 37.055 38.460 -1.132 0.000 0.991 404 Y HN 0.351 nan 8.280 nan 0.000 0.545 405 A N 1.098 123.403 122.820 -0.859 0.000 2.121 405 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 405 A C 1.848 179.166 177.584 -0.444 0.000 1.154 405 A CA 1.255 52.752 52.037 -0.901 0.000 0.679 405 A CB -0.702 17.647 19.000 -1.085 0.000 0.795 405 A HN 0.647 nan 8.150 nan 0.000 0.458 406 E N -1.226 118.820 120.200 -0.256 0.000 2.512 406 E HA 0.202 4.552 4.350 -0.000 0.000 0.195 406 E C 1.272 177.940 176.600 0.114 0.000 1.083 406 E CA 0.275 56.659 56.400 -0.026 0.000 0.873 406 E CB -0.212 29.480 29.700 -0.013 0.000 0.897 406 E HN 0.741 nan 8.360 nan 0.000 0.514 407 G N 0.396 109.274 108.800 0.130 0.000 2.241 407 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.244 407 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.244 407 G C 0.912 176.019 174.900 0.345 0.000 0.998 407 G CA 0.005 45.275 45.100 0.284 0.000 0.621 407 G HN 0.675 nan 8.290 nan 0.000 0.519 408 G N 0.831 109.846 108.800 0.358 0.000 2.690 408 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.334 408 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.334 408 G C 1.310 176.502 174.900 0.487 0.000 1.250 408 G CA 2.470 47.862 45.100 0.488 0.000 0.994 408 G HN 2.044 nan 8.290 nan 0.000 0.549 409 I N -0.265 120.430 120.570 0.208 0.000 3.861 409 I HA 0.487 4.657 4.170 -0.000 0.000 0.329 409 I C 1.857 178.048 176.117 0.124 0.000 1.321 409 I CA 1.139 62.437 61.300 -0.003 0.000 1.126 409 I CB 0.443 37.995 38.000 -0.746 0.000 1.018 409 I HN 0.448 nan 8.210 nan 0.000 0.407 410 S N 0.182 116.017 115.700 0.224 0.000 2.499 410 S HA 0.299 4.769 4.470 -0.000 0.000 0.225 410 S C 1.800 176.415 174.600 0.025 0.000 1.050 410 S CA 0.537 58.818 58.200 0.135 0.000 0.928 410 S CB -0.126 63.177 63.200 0.172 0.000 0.803 410 S HN 0.722 nan 8.310 nan 0.000 0.506 411 G N 2.118 110.994 108.800 0.127 0.000 2.203 411 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 411 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 411 G C -0.208 174.595 174.900 -0.162 0.000 1.012 411 G CA 0.386 45.445 45.100 -0.070 0.000 0.749 411 G HN 0.638 nan 8.290 nan 0.000 0.512 412 D N -0.051 120.291 120.400 -0.096 0.000 2.367 412 D HA 0.236 4.876 4.640 -0.000 0.000 0.255 412 D C 1.570 177.786 176.300 -0.140 0.000 1.300 412 D CA -0.041 53.853 54.000 -0.176 0.000 0.959 412 D CB -0.141 40.483 40.800 -0.294 0.000 1.064 412 D HN 0.190 nan 8.370 nan 0.000 0.509 413 C N 2.791 122.002 119.300 -0.149 0.000 2.437 413 C HA -0.056 4.404 4.460 -0.000 0.000 0.283 413 C C 2.200 177.154 174.990 -0.061 0.000 1.424 413 C CA 0.265 59.220 59.018 -0.104 0.000 1.782 413 C CB -0.727 26.936 27.740 -0.129 0.000 1.833 413 C HN 0.723 nan 8.230 nan 0.000 0.532 414 E N 0.475 120.610 120.200 -0.109 0.000 2.276 414 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 414 E C 1.479 178.013 176.600 -0.110 0.000 0.983 414 E CA 0.590 56.932 56.400 -0.096 0.000 0.861 414 E CB 0.053 29.674 29.700 -0.132 0.000 0.817 414 E HN 0.579 nan 8.360 nan 0.000 0.485 415 N N 0.290 118.870 118.700 -0.201 0.000 2.184 415 N HA 0.050 4.790 4.740 -0.000 0.000 0.206 415 N C -0.314 175.234 175.510 0.063 0.000 1.151 415 N CA 0.427 53.352 53.050 -0.208 0.000 0.878 415 N CB 1.395 39.452 38.487 -0.715 0.000 1.014 415 N HN 0.095 nan 8.380 nan 0.000 0.512 416 S N -1.098 114.656 115.700 0.090 0.000 2.732 416 S HA 0.667 5.137 4.470 -0.000 0.000 0.293 416 S C 0.162 174.835 174.600 0.122 0.000 1.159 416 S CA -0.626 57.690 58.200 0.193 0.000 0.847 416 S CB 1.879 65.213 63.200 0.224 0.000 1.169 416 S HN -0.039 nan 8.310 nan 0.000 0.501 417 A N -0.013 122.858 122.820 0.085 0.000 2.337 417 A HA 0.650 4.970 4.320 -0.000 0.000 0.227 417 A C 1.896 179.612 177.584 0.220 0.000 1.259 417 A CA 0.552 52.695 52.037 0.177 0.000 0.870 417 A CB -1.353 17.747 19.000 0.166 0.000 0.927 417 A HN 1.344 nan 8.150 nan 0.000 0.497 418 A N 0.123 123.026 122.820 0.139 0.000 1.917 418 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 418 A C 2.254 179.797 177.584 -0.068 0.000 1.182 418 A CA 1.843 53.939 52.037 0.098 0.000 0.633 418 A CB -1.224 17.815 19.000 0.065 0.000 0.819 418 A HN 0.874 nan 8.150 nan 0.000 0.448 419 G N -2.223 106.539 108.800 -0.063 0.000 2.564 419 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 419 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 419 G C 1.192 176.147 174.900 0.092 0.000 1.124 419 G CA 0.957 45.995 45.100 -0.104 0.000 0.764 419 G HN 0.502 nan 8.290 nan 0.000 0.550 420 F N -0.042 119.879 119.950 -0.049 0.000 2.147 420 F HA 0.276 4.803 4.527 -0.000 0.000 0.291 420 F C 2.202 177.943 175.800 -0.098 0.000 1.093 420 F CA 1.795 59.708 58.000 -0.145 0.000 1.263 420 F CB 0.318 39.038 39.000 -0.465 0.000 1.036 420 F HN 0.113 nan 8.300 nan 0.000 0.481 421 K N -2.873 117.498 120.400 -0.047 0.000 2.929 421 K HA -0.027 4.293 4.320 -0.000 0.000 0.188 421 K C 1.787 178.407 176.600 0.034 0.000 1.654 421 K CA 0.123 56.365 56.287 -0.076 0.000 1.349 421 K CB -0.702 31.593 32.500 -0.342 0.000 1.879 421 K HN 0.104 nan 8.250 nan 0.000 0.626 422 F N 2.790 122.719 119.950 -0.036 0.000 2.075 422 F HA -0.056 4.471 4.527 -0.000 0.000 0.297 422 F C 2.057 177.761 175.800 -0.160 0.000 1.113 422 F CA 2.163 60.134 58.000 -0.049 0.000 1.218 422 F CB -0.624 38.367 39.000 -0.016 0.000 0.984 422 F HN 0.156 nan 8.300 nan 0.000 0.472 423 A N -0.187 122.435 122.820 -0.329 0.000 1.940 423 A HA -0.301 4.019 4.320 -0.000 0.000 0.221 423 A C 2.183 179.520 177.584 -0.413 0.000 1.190 423 A CA 2.178 53.966 52.037 -0.415 0.000 0.647 423 A CB -1.925 16.674 19.000 -0.669 0.000 0.821 423 A HN 0.700 nan 8.150 nan 0.000 0.457 424 W N -0.906 120.318 121.300 -0.126 0.000 2.425 424 W HA -0.043 4.617 4.660 -0.000 0.000 0.277 424 W C 2.575 178.961 176.519 -0.221 0.000 1.231 424 W CA 0.773 58.024 57.345 -0.157 0.000 1.248 424 W CB -0.087 29.261 29.460 -0.187 0.000 1.117 424 W HN 0.241 nan 8.180 nan 0.000 0.568 425 R N -0.708 119.699 120.500 -0.155 0.000 2.112 425 R HA 0.028 4.368 4.340 -0.000 0.000 0.216 425 R C 2.045 178.071 176.300 -0.458 0.000 1.080 425 R CA 1.023 56.972 56.100 -0.252 0.000 0.996 425 R CB -0.478 29.699 30.300 -0.204 0.000 0.902 425 R HN 0.162 nan 8.270 nan 0.000 0.449 426 M N 0.090 119.197 119.600 -0.822 0.000 2.156 426 M HA 0.041 4.521 4.480 -0.000 0.000 0.264 426 M C -0.320 175.405 176.300 -0.958 0.000 1.067 426 M CA 1.615 56.267 55.300 -1.079 0.000 1.131 426 M CB 0.347 31.919 32.600 -1.713 0.000 1.368 426 M HN -0.178 nan 8.290 nan 0.000 0.416 427 F N 0.318 120.089 119.950 -0.299 0.000 2.458 427 F HA 0.304 4.831 4.527 -0.000 0.000 0.330 427 F C 0.669 176.351 175.800 -0.197 0.000 1.082 427 F CA -0.964 56.897 58.000 -0.232 0.000 0.995 427 F CB 0.870 39.744 39.000 -0.211 0.000 1.170 427 F HN 0.168 nan 8.300 nan 0.000 0.478 428 D N -0.858 119.494 120.400 -0.080 0.000 2.469 428 D HA 0.178 4.818 4.640 -0.000 0.000 0.213 428 D C 1.433 177.659 176.300 -0.124 0.000 1.135 428 D CA 0.215 54.152 54.000 -0.105 0.000 0.834 428 D CB 0.283 41.000 40.800 -0.139 0.000 1.009 428 D HN 0.785 nan 8.370 nan 0.000 0.507 429 G N 0.718 109.390 108.800 -0.214 0.000 2.225 429 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.267 429 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.267 429 G C 0.764 175.604 174.900 -0.101 0.000 1.024 429 G CA 1.078 46.102 45.100 -0.127 0.000 0.784 429 G HN 0.493 nan 8.290 nan 0.000 0.507 430 K N -2.474 117.725 120.400 -0.335 0.000 2.757 430 K HA 0.138 4.457 4.320 -0.000 0.000 0.201 430 K C 2.380 178.933 176.600 -0.079 0.000 1.495 430 K CA 0.854 57.090 56.287 -0.085 0.000 1.090 430 K CB 0.081 32.544 32.500 -0.061 0.000 1.796 430 K HN 0.355 nan 8.250 nan 0.000 0.523 431 T N -2.046 112.349 114.554 -0.264 0.000 2.999 431 T HA 0.086 4.435 4.350 -0.000 0.000 0.247 431 T C 0.828 175.430 174.700 -0.164 0.000 1.012 431 T CA 0.192 62.230 62.100 -0.103 0.000 1.048 431 T CB 0.563 69.381 68.868 -0.084 0.000 1.020 431 T HN -0.000 nan 8.240 nan 0.000 0.478 432 T N 1.144 115.454 114.554 -0.407 0.000 2.829 432 T HA 0.673 5.022 4.350 -0.000 0.000 0.280 432 T C -1.843 172.655 174.700 -0.338 0.000 0.999 432 T CA -0.790 61.227 62.100 -0.139 0.000 0.983 432 T CB 0.607 69.472 68.868 -0.004 0.000 0.968 432 T HN 0.195 nan 8.240 nan 0.000 0.446 433 F N 3.961 124.099 119.950 0.315 0.000 2.588 433 F HA 0.604 5.131 4.527 -0.000 0.000 0.314 433 F C -2.177 173.498 175.800 -0.207 0.000 1.069 433 F CA -2.304 55.743 58.000 0.080 0.000 0.931 433 F CB 1.559 40.571 39.000 0.020 0.000 1.260 433 F HN 0.379 nan 8.300 nan 0.000 0.465 434 P HA 0.227 nan 4.420 nan 0.000 0.277 434 P C -0.976 176.186 177.300 -0.230 0.000 1.271 434 P CA -0.634 62.034 63.100 -0.721 0.000 0.795 434 P CB 0.988 32.199 31.700 -0.815 0.000 1.101 435 S N 0.427 116.014 115.700 -0.188 0.000 2.399 435 S HA 0.508 4.977 4.470 -0.000 0.000 0.215 435 S C -2.700 171.825 174.600 -0.125 0.000 1.456 435 S CA -1.690 56.455 58.200 -0.092 0.000 1.199 435 S CB -0.471 62.718 63.200 -0.018 0.000 1.063 435 S HN 0.148 nan 8.310 nan 0.000 0.476 436 P HA 0.342 nan 4.420 nan 0.000 0.276 436 P C -1.047 176.176 177.300 -0.128 0.000 1.244 436 P CA -0.484 62.532 63.100 -0.140 0.000 0.801 436 P CB 1.055 32.683 31.700 -0.119 0.000 1.006 437 S N 1.214 116.822 115.700 -0.154 0.000 2.502 437 S HA 0.320 4.790 4.470 -0.000 0.000 0.304 437 S C 0.486 175.003 174.600 -0.138 0.000 1.097 437 S CA -0.665 57.445 58.200 -0.151 0.000 1.045 437 S CB -0.014 63.055 63.200 -0.218 0.000 1.019 437 S HN 0.478 nan 8.310 nan 0.000 0.481 438 N N 5.395 124.033 118.700 -0.102 0.000 2.214 438 N HA 0.156 4.896 4.740 -0.000 0.000 0.214 438 N C 0.583 176.053 175.510 -0.068 0.000 1.132 438 N CA -0.082 52.929 53.050 -0.065 0.000 0.856 438 N CB 0.052 38.526 38.487 -0.021 0.000 1.020 438 N HN 0.573 nan 8.380 nan 0.000 0.509 439 L N -0.837 120.290 121.223 -0.160 0.000 2.663 439 L HA 0.222 4.562 4.340 -0.000 0.000 0.218 439 L C 0.382 177.069 176.870 -0.305 0.000 1.043 439 L CA 0.012 54.705 54.840 -0.245 0.000 0.876 439 L CB 0.003 41.883 42.059 -0.297 0.000 1.263 439 L HN -0.001 nan 8.230 nan 0.000 0.486 440 N N 1.443 119.922 118.700 -0.369 0.000 3.178 440 N HA 0.050 4.790 4.740 -0.000 0.000 0.300 440 N C -0.704 174.651 175.510 -0.258 0.000 1.242 440 N CA 0.458 53.296 53.050 -0.353 0.000 1.192 440 N CB -0.023 38.162 38.487 -0.504 0.000 1.463 440 N HN 0.058 nan 8.380 nan 0.000 0.539 441 T N -0.890 113.550 114.554 -0.190 0.000 2.885 441 T HA 0.223 4.573 4.350 -0.000 0.000 0.322 441 T C 0.934 175.583 174.700 -0.086 0.000 1.387 441 T CA -0.486 61.526 62.100 -0.146 0.000 1.041 441 T CB 0.765 69.567 68.868 -0.110 0.000 1.287 441 T HN 0.124 nan 8.240 nan 0.000 0.491 442 S N 1.804 117.462 115.700 -0.070 0.000 2.389 442 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 442 S C 2.179 176.865 174.600 0.143 0.000 1.052 442 S CA 1.930 60.172 58.200 0.071 0.000 1.053 442 S CB -0.525 62.669 63.200 -0.010 0.000 0.886 442 S HN 0.881 nan 8.310 nan 0.000 0.456 443 A N 0.860 123.720 122.820 0.068 0.000 2.167 443 A HA 0.393 4.713 4.320 -0.000 0.000 0.214 443 A C 1.559 179.255 177.584 0.185 0.000 1.151 443 A CA 1.009 53.113 52.037 0.111 0.000 0.735 443 A CB -0.638 18.404 19.000 0.070 0.000 0.802 443 A HN 0.502 nan 8.150 nan 0.000 0.467 444 G N -0.920 107.940 108.800 0.101 0.000 3.286 444 G HA2 0.426 4.386 3.960 -0.000 0.000 0.173 444 G HA3 0.426 4.386 3.960 -0.000 0.000 0.173 444 G C -0.051 174.751 174.900 -0.164 0.000 1.704 444 G CA 0.223 45.312 45.100 -0.019 0.000 1.041 444 G HN 0.468 nan 8.290 nan 0.000 0.561 445 Q N -0.569 119.025 119.800 -0.343 0.000 2.284 445 Q HA 0.414 4.754 4.340 -0.000 0.000 0.269 445 Q C -1.595 174.432 176.000 0.044 0.000 1.026 445 Q CA -0.915 54.807 55.803 -0.136 0.000 0.831 445 Q CB 1.826 30.354 28.738 -0.351 0.000 1.322 445 Q HN 0.926 nan 8.270 nan 0.000 0.419 446 H N 3.024 122.143 119.070 0.082 0.000 2.966 446 H HA 0.733 5.289 4.556 -0.000 0.000 0.330 446 H C -1.241 174.199 175.328 0.186 0.000 1.292 446 H CA -0.777 55.316 56.048 0.075 0.000 1.127 446 H CB 1.318 31.109 29.762 0.048 0.000 1.863 446 H HN 0.748 nan 8.280 nan 0.000 0.543 447 I N -2.264 118.121 120.570 -0.308 0.000 2.894 447 I HA 0.571 4.741 4.170 -0.000 0.000 0.302 447 I C -3.289 172.474 176.117 -0.590 0.000 1.188 447 I CA -2.787 58.131 61.300 -0.637 0.000 1.014 447 I CB 3.105 40.721 38.000 -0.640 0.000 1.242 447 I HN 0.169 nan 8.210 nan 0.000 0.430 448 P HA 0.265 nan 4.420 nan 0.000 0.276 448 P C 0.127 177.229 177.300 -0.329 0.000 1.235 448 P CA -0.361 62.451 63.100 -0.480 0.000 0.772 448 P CB 1.162 32.522 31.700 -0.568 0.000 0.871 449 R N 3.620 124.038 120.500 -0.137 0.000 2.080 449 R HA -0.137 4.203 4.340 -0.000 0.000 0.236 449 R C 1.627 177.852 176.300 -0.125 0.000 1.137 449 R CA 1.680 57.726 56.100 -0.090 0.000 0.943 449 R CB -0.835 29.485 30.300 0.034 0.000 0.846 449 R HN 0.417 nan 8.270 nan 0.000 0.431 450 L N 0.436 121.613 121.223 -0.077 0.000 2.349 450 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 450 L C 1.315 178.020 176.870 -0.274 0.000 1.130 450 L CA 1.128 55.928 54.840 -0.067 0.000 0.791 450 L CB -0.148 41.934 42.059 0.039 0.000 0.918 450 L HN 0.125 nan 8.230 nan 0.000 0.444 451 K N -0.434 119.696 120.400 -0.450 0.000 2.564 451 K HA 0.304 4.624 4.320 -0.000 0.000 0.205 451 K C 1.409 177.537 176.600 -0.786 0.000 1.053 451 K CA -0.040 55.798 56.287 -0.750 0.000 1.072 451 K CB 0.702 32.514 32.500 -1.148 0.000 0.822 451 K HN 0.225 nan 8.250 nan 0.000 0.497 452 I N 1.624 121.798 120.570 -0.659 0.000 2.208 452 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 452 I C -0.844 174.862 176.117 -0.686 0.000 1.097 452 I CA 1.407 62.319 61.300 -0.647 0.000 1.363 452 I CB -1.229 36.477 38.000 -0.489 0.000 1.051 452 I HN 0.033 nan 8.210 nan 0.000 0.413 453 P HA -0.184 nan 4.420 nan 0.000 0.214 453 P C 1.281 178.267 177.300 -0.522 0.000 1.163 453 P CA 1.502 64.203 63.100 -0.665 0.000 0.889 453 P CB 0.013 31.261 31.700 -0.754 0.000 0.790 454 E N -1.252 118.615 120.200 -0.554 0.000 2.153 454 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 454 E C 2.099 178.474 176.600 -0.374 0.000 0.988 454 E CA 1.005 57.138 56.400 -0.445 0.000 0.811 454 E CB -1.438 27.929 29.700 -0.555 0.000 0.746 454 E HN 0.253 nan 8.360 nan 0.000 0.466 455 C N 0.103 119.106 119.300 -0.494 0.000 2.440 455 C HA 0.002 4.462 4.460 -0.000 0.000 0.278 455 C C 2.514 177.334 174.990 -0.284 0.000 1.295 455 C CA 0.202 58.980 59.018 -0.400 0.000 1.738 455 C CB -0.769 26.472 27.740 -0.831 0.000 1.987 455 C HN 0.376 nan 8.230 nan 0.000 0.492 456 I N 0.438 120.772 120.570 -0.394 0.000 2.193 456 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 456 I C 2.557 178.373 176.117 -0.502 0.000 1.084 456 I CA 1.669 62.754 61.300 -0.359 0.000 1.365 456 I CB -0.378 37.401 38.000 -0.369 0.000 1.064 456 I HN 0.303 nan 8.210 nan 0.000 0.410 457 M N 0.090 119.373 119.600 -0.528 0.000 2.156 457 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 457 M C 2.312 178.399 176.300 -0.354 0.000 1.067 457 M CA 1.931 56.844 55.300 -0.645 0.000 1.131 457 M CB -0.755 31.671 32.600 -0.289 0.000 1.368 457 M HN 0.328 nan 8.290 nan 0.000 0.416 458 G N -0.670 108.009 108.800 -0.202 0.000 2.408 458 G HA2 0.172 4.132 3.960 -0.000 0.000 0.215 458 G HA3 0.172 4.132 3.960 -0.000 0.000 0.215 458 G C 1.177 176.075 174.900 -0.003 0.000 1.156 458 G CA 0.699 45.761 45.100 -0.063 0.000 0.793 458 G HN 0.643 nan 8.290 nan 0.000 0.535 459 G N -0.902 107.913 108.800 0.025 0.000 2.147 459 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 459 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 459 G C 0.057 175.075 174.900 0.197 0.000 1.005 459 G CA 0.861 46.042 45.100 0.135 0.000 0.713 459 G HN 0.848 nan 8.290 nan 0.000 0.515 460 K N -1.645 118.938 120.400 0.306 0.000 2.622 460 K HA 0.650 4.970 4.320 -0.000 0.000 0.273 460 K C -2.038 174.869 176.600 0.512 0.000 0.957 460 K CA -0.927 55.563 56.287 0.339 0.000 0.861 460 K CB 1.230 33.828 32.500 0.164 0.000 1.405 460 K HN 0.515 nan 8.250 nan 0.000 0.406 461 F N 1.352 121.513 119.950 0.353 0.000 2.769 461 F HA 0.359 4.886 4.527 -0.000 0.000 0.313 461 F C -1.881 174.232 175.800 0.522 0.000 1.146 461 F CA -0.453 57.763 58.000 0.361 0.000 0.934 461 F CB 1.913 41.074 39.000 0.268 0.000 1.283 461 F HN 0.406 nan 8.300 nan 0.000 0.443 462 Q N 3.364 123.044 119.800 -0.200 0.000 2.331 462 Q HA 0.556 4.896 4.340 -0.000 0.000 0.272 462 Q C -1.854 174.146 176.000 0.001 0.000 1.062 462 Q CA -0.413 55.373 55.803 -0.028 0.000 0.806 462 Q CB 2.982 31.674 28.738 -0.078 0.000 1.312 462 Q HN 0.798 nan 8.270 nan 0.000 0.431 463 W N 0.830 122.130 121.300 -0.000 0.000 2.874 463 W HA 0.722 5.382 4.660 -0.000 0.000 0.403 463 W C -1.560 175.138 176.519 0.300 0.000 1.144 463 W CA -0.730 56.690 57.345 0.125 0.000 1.175 463 W CB 0.355 29.966 29.460 0.252 0.000 1.483 463 W HN 0.347 nan 8.180 nan 0.000 0.591 464 S N 0.818 116.824 115.700 0.509 0.000 2.537 464 S HA 0.763 5.233 4.470 -0.000 0.000 0.301 464 S C 0.098 175.155 174.600 0.763 0.000 1.092 464 S CA 0.148 58.638 58.200 0.484 0.000 1.048 464 S CB 1.015 64.451 63.200 0.393 0.000 1.053 464 S HN 1.652 nan 8.310 nan 0.000 0.501 465 G N 1.611 110.886 108.800 0.791 0.000 2.901 465 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.654 465 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.654 465 G C -0.769 174.487 174.900 0.595 0.000 1.550 465 G CA -0.382 45.180 45.100 0.770 0.000 0.978 465 G HN 0.770 nan 8.290 nan 0.000 0.566 466 K N 1.222 121.790 120.400 0.279 0.000 2.535 466 K HA 0.586 4.905 4.320 -0.000 0.000 0.253 466 K C 1.298 177.947 176.600 0.083 0.000 0.953 466 K CA 0.529 56.803 56.287 -0.021 0.000 0.863 466 K CB 0.642 32.796 32.500 -0.577 0.000 1.111 466 K HN 2.407 nan 8.250 nan 0.000 0.431 467 G N 3.297 112.211 108.800 0.190 0.000 2.672 467 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.324 467 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.324 467 G C -0.495 174.602 174.900 0.329 0.000 1.286 467 G CA 0.252 45.468 45.100 0.195 0.000 1.004 467 G HN 0.531 nan 8.290 nan 0.000 0.548 468 F N 2.556 122.491 119.950 -0.025 0.000 2.423 468 F HA 0.599 5.126 4.527 -0.000 0.000 0.356 468 F C 1.205 177.015 175.800 0.017 0.000 1.170 468 F CA -1.033 56.893 58.000 -0.124 0.000 1.163 468 F CB 0.342 39.228 39.000 -0.190 0.000 1.318 468 F HN 0.696 nan 8.300 nan 0.000 0.569 469 A N 2.407 125.413 122.820 0.311 0.000 2.990 469 A HA 0.475 4.795 4.320 -0.000 0.000 0.282 469 A C 1.465 179.111 177.584 0.103 0.000 1.688 469 A CA 0.248 52.418 52.037 0.222 0.000 1.391 469 A CB -0.896 18.209 19.000 0.175 0.000 1.112 469 A HN 0.829 nan 8.150 nan 0.000 0.588 470 G N 0.213 109.090 108.800 0.128 0.000 3.126 470 G HA2 0.278 4.238 3.960 -0.000 0.000 0.224 470 G HA3 0.278 4.238 3.960 -0.000 0.000 0.224 470 G C 1.075 176.030 174.900 0.092 0.000 1.142 470 G CA 0.736 45.866 45.100 0.051 0.000 0.759 470 G HN 0.710 nan 8.290 nan 0.000 0.550 471 G N -0.064 108.831 108.800 0.158 0.000 2.421 471 G HA2 0.114 4.074 3.960 -0.000 0.000 0.216 471 G HA3 0.114 4.074 3.960 -0.000 0.000 0.216 471 G C 0.354 175.123 174.900 -0.218 0.000 1.171 471 G CA 1.156 46.326 45.100 0.117 0.000 0.775 471 G HN 0.469 nan 8.290 nan 0.000 0.543 472 D N -3.052 116.976 120.400 -0.621 0.000 2.615 472 D HA 0.293 4.933 4.640 -0.000 0.000 0.267 472 D C 1.342 177.424 176.300 -0.363 0.000 1.236 472 D CA -0.776 52.922 54.000 -0.503 0.000 0.839 472 D CB 0.479 40.879 40.800 -0.667 0.000 1.380 472 D HN -0.100 nan 8.370 nan 0.000 0.433 473 I N 0.131 120.568 120.570 -0.222 0.000 2.163 473 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 473 I C 1.552 177.587 176.117 -0.137 0.000 1.085 473 I CA 1.088 62.262 61.300 -0.209 0.000 1.347 473 I CB -0.233 37.697 38.000 -0.116 0.000 1.044 473 I HN 0.213 nan 8.210 nan 0.000 0.408 474 S N -1.209 114.465 115.700 -0.043 0.000 2.593 474 S HA -0.010 4.460 4.470 -0.000 0.000 0.217 474 S C 1.522 176.206 174.600 0.139 0.000 0.966 474 S CA 0.010 58.238 58.200 0.048 0.000 0.914 474 S CB -0.485 62.750 63.200 0.059 0.000 0.776 474 S HN 0.479 nan 8.310 nan 0.000 0.523 475 H N 2.157 121.242 119.070 0.026 0.000 2.387 475 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 475 H C 2.333 177.743 175.328 0.137 0.000 1.099 475 H CA 1.433 57.529 56.048 0.080 0.000 1.315 475 H CB 0.020 29.819 29.762 0.062 0.000 1.380 475 H HN 0.598 nan 8.280 nan 0.000 0.513 476 Q N 0.931 120.858 119.800 0.212 0.000 2.500 476 Q HA -0.067 4.273 4.340 -0.000 0.000 0.213 476 Q C 1.544 177.725 176.000 0.302 0.000 0.974 476 Q CA 0.810 56.770 55.803 0.261 0.000 0.918 476 Q CB -0.069 28.715 28.738 0.076 0.000 0.980 476 Q HN 0.516 nan 8.270 nan 0.000 0.505 477 L N -0.103 121.181 121.223 0.102 0.000 2.529 477 L HA 0.130 4.470 4.340 -0.000 0.000 0.223 477 L C 1.267 178.112 176.870 -0.043 0.000 1.113 477 L CA -0.316 54.427 54.840 -0.162 0.000 0.861 477 L CB -0.344 41.417 42.059 -0.496 0.000 1.012 477 L HN 0.359 nan 8.230 nan 0.000 0.461 478 H N 2.347 121.417 119.070 -0.001 0.000 2.928 478 H HA 0.052 4.607 4.556 -0.000 0.000 0.338 478 H C -0.237 174.937 175.328 -0.256 0.000 1.047 478 H CA 0.474 56.440 56.048 -0.137 0.000 1.435 478 H CB 0.767 30.437 29.762 -0.153 0.000 1.428 478 H HN 0.094 nan 8.280 nan 0.000 0.590 479 Q N 4.549 124.062 119.800 -0.478 0.000 2.243 479 Q HA 0.222 4.561 4.340 -0.000 0.000 0.252 479 Q C -0.845 174.809 176.000 -0.577 0.000 0.909 479 Q CA -0.290 55.308 55.803 -0.342 0.000 0.922 479 Q CB 1.288 29.894 28.738 -0.219 0.000 1.215 479 Q HN 0.521 nan 8.270 nan 0.000 0.427 480 Y N -0.205 119.880 120.300 -0.358 0.000 2.605 480 Y HA 0.412 4.962 4.550 -0.000 0.000 0.343 480 Y C 0.222 175.579 175.900 -0.905 0.000 1.036 480 Y CA -0.978 56.732 58.100 -0.650 0.000 1.065 480 Y CB 1.931 39.811 38.460 -0.967 0.000 1.288 480 Y HN 0.519 nan 8.280 nan 0.000 0.481 481 E N 0.328 120.219 120.200 -0.514 0.000 2.408 481 E HA 0.492 4.842 4.350 -0.000 0.000 0.275 481 E C -2.241 174.439 176.600 0.133 0.000 0.935 481 E CA -1.138 55.137 56.400 -0.208 0.000 0.775 481 E CB 3.106 32.778 29.700 -0.047 0.000 1.277 481 E HN 0.574 nan 8.360 nan 0.000 0.455 482 Y N 1.678 122.179 120.300 0.335 0.000 2.406 482 Y HA 0.429 4.979 4.550 -0.000 0.000 0.340 482 Y C -2.827 173.208 175.900 0.224 0.000 0.975 482 Y CA -2.314 56.002 58.100 0.360 0.000 1.056 482 Y CB 2.265 41.021 38.460 0.494 0.000 1.210 482 Y HN 0.392 nan 8.280 nan 0.000 0.448 483 P HA 0.246 nan 4.420 nan 0.000 0.275 483 P C -0.713 176.566 177.300 -0.034 0.000 1.228 483 P CA -0.111 62.645 63.100 -0.573 0.000 0.786 483 P CB 1.283 32.672 31.700 -0.518 0.000 0.927 484 A N 5.028 127.944 122.820 0.160 0.000 2.483 484 A HA 0.259 4.579 4.320 -0.000 0.000 0.238 484 A C -1.969 175.748 177.584 0.221 0.000 1.070 484 A CA -1.049 51.131 52.037 0.238 0.000 0.770 484 A CB -1.617 17.590 19.000 0.345 0.000 1.008 484 A HN 0.421 nan 8.150 nan 0.000 0.497 485 P HA 0.146 nan 4.420 nan 0.000 0.256 485 P C 1.075 178.367 177.300 -0.013 0.000 1.173 485 P CA 2.174 65.310 63.100 0.061 0.000 0.768 485 P CB 0.248 31.976 31.700 0.045 0.000 0.758 486 G N 1.557 110.324 108.800 -0.054 0.000 2.234 486 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 486 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 486 G C 0.079 174.852 174.900 -0.210 0.000 0.987 486 G CA -0.265 44.741 45.100 -0.157 0.000 0.625 486 G HN 0.450 nan 8.290 nan 0.000 0.532 487 Y N 0.720 121.040 120.300 0.033 0.000 2.408 487 Y HA 0.637 5.187 4.550 -0.000 0.000 0.324 487 Y C 1.121 177.044 175.900 0.039 0.000 1.302 487 Y CA 0.200 58.330 58.100 0.050 0.000 1.384 487 Y CB 1.284 39.785 38.460 0.068 0.000 1.367 487 Y HN 0.176 nan 8.280 nan 0.000 0.525 488 S N 0.351 116.222 115.700 0.285 0.000 2.617 488 S HA 0.368 4.838 4.470 -0.000 0.000 0.283 488 S C -0.741 173.922 174.600 0.105 0.000 1.189 488 S CA -0.925 57.376 58.200 0.168 0.000 1.036 488 S CB 0.484 63.819 63.200 0.224 0.000 1.014 488 S HN 0.499 nan 8.310 nan 0.000 0.522 489 K N 2.393 122.800 120.400 0.012 0.000 2.258 489 K HA 0.260 4.580 4.320 -0.000 0.000 0.264 489 K C 0.008 176.659 176.600 0.085 0.000 1.007 489 K CA -0.555 55.748 56.287 0.027 0.000 0.941 489 K CB 0.288 32.769 32.500 -0.033 0.000 0.966 489 K HN 0.507 nan 8.250 nan 0.000 0.480 490 I N 3.052 123.734 120.570 0.185 0.000 2.752 490 I HA -0.098 4.072 4.170 -0.000 0.000 0.287 490 I C 1.226 177.369 176.117 0.043 0.000 1.188 490 I CA 0.784 62.140 61.300 0.094 0.000 1.427 490 I CB 0.401 38.399 38.000 -0.002 0.000 1.365 490 I HN 0.639 nan 8.210 nan 0.000 0.585 491 K N 4.562 125.009 120.400 0.078 0.000 2.504 491 K HA 0.310 4.630 4.320 -0.000 0.000 0.203 491 K C 0.155 176.880 176.600 0.208 0.000 1.350 491 K CA 0.344 56.691 56.287 0.098 0.000 0.953 491 K CB 0.915 33.455 32.500 0.067 0.000 1.243 491 K HN 0.580 nan 8.250 nan 0.000 0.534 492 M N 0.069 119.818 119.600 0.249 0.000 2.591 492 M HA 0.451 4.930 4.480 -0.000 0.000 0.306 492 M C -1.757 174.760 176.300 0.362 0.000 1.190 492 M CA -0.747 54.755 55.300 0.336 0.000 0.889 492 M CB 2.301 35.148 32.600 0.413 0.000 1.728 492 M HN -0.025 nan 8.290 nan 0.000 0.458 493 F N 4.336 124.373 119.950 0.144 0.000 2.536 493 F HA 0.432 4.959 4.527 -0.000 0.000 0.322 493 F C -1.902 174.001 175.800 0.171 0.000 1.144 493 F CA -0.689 57.404 58.000 0.154 0.000 0.924 493 F CB 1.415 40.475 39.000 0.100 0.000 1.181 493 F HN 0.701 nan 8.300 nan 0.000 0.438 494 W N 9.012 130.542 121.300 0.384 0.000 2.347 494 W HA 0.359 5.018 4.660 -0.000 0.000 0.321 494 W C -1.177 175.329 176.519 -0.022 0.000 0.971 494 W CA -1.054 56.348 57.345 0.095 0.000 1.508 494 W CB 1.008 30.579 29.460 0.185 0.000 1.299 494 W HN 0.510 nan 8.180 nan 0.000 0.399 495 K N 3.538 123.930 120.400 -0.014 0.000 2.218 495 K HA 0.071 4.391 4.320 -0.000 0.000 0.276 495 K C -1.195 175.508 176.600 0.171 0.000 1.022 495 K CA -0.510 55.705 56.287 -0.120 0.000 0.946 495 K CB 1.718 33.960 32.500 -0.429 0.000 1.000 495 K HN 0.306 nan 8.250 nan 0.000 0.468 496 Y N 1.698 121.978 120.300 -0.035 0.000 2.842 496 Y HA 0.322 4.872 4.550 -0.000 0.000 0.334 496 Y C 0.089 175.908 175.900 -0.134 0.000 1.019 496 Y CA 0.421 58.491 58.100 -0.050 0.000 1.258 496 Y CB 0.497 38.850 38.460 -0.177 0.000 1.106 496 Y HN 0.924 nan 8.280 nan 0.000 0.545 497 G N 2.214 110.903 108.800 -0.184 0.000 2.645 497 G HA2 0.268 4.228 3.960 -0.000 0.000 0.645 497 G HA3 0.268 4.228 3.960 -0.000 0.000 0.645 497 G C -0.217 174.551 174.900 -0.219 0.000 1.304 497 G CA -0.391 44.593 45.100 -0.193 0.000 0.885 497 G HN 1.393 nan 8.290 nan 0.000 0.526 498 G N -0.961 107.703 108.800 -0.226 0.000 4.574 498 G HA2 0.705 4.665 3.960 -0.000 0.000 0.236 498 G HA3 0.705 4.665 3.960 -0.000 0.000 0.236 498 G C -1.482 173.275 174.900 -0.240 0.000 1.733 498 G CA 0.700 45.636 45.100 -0.274 0.000 0.605 498 G HN 0.782 nan 8.290 nan 0.000 0.352 499 P HA 0.100 nan 4.420 nan 0.000 0.275 499 P C 0.854 178.061 177.300 -0.155 0.000 1.310 499 P CA 0.117 63.111 63.100 -0.177 0.000 0.904 499 P CB 0.339 31.962 31.700 -0.128 0.000 1.381 500 H N 0.475 119.376 119.070 -0.281 0.000 2.353 500 H HA -0.082 4.474 4.556 -0.000 0.000 0.298 500 H C 1.998 176.993 175.328 -0.556 0.000 1.103 500 H CA 0.822 56.586 56.048 -0.474 0.000 1.293 500 H CB -0.392 29.018 29.762 -0.586 0.000 1.372 500 H HN 0.056 nan 8.280 nan 0.000 0.501 501 L N -0.237 120.795 121.223 -0.319 0.000 2.129 501 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 501 L C 2.356 179.045 176.870 -0.302 0.000 1.087 501 L CA 1.223 55.839 54.840 -0.373 0.000 0.757 501 L CB -0.167 41.597 42.059 -0.491 0.000 0.896 501 L HN 0.354 nan 8.230 nan 0.000 0.434 502 G N -2.333 106.317 108.800 -0.250 0.000 3.453 502 G HA2 0.079 4.039 3.960 -0.000 0.000 0.263 502 G HA3 0.079 4.039 3.960 -0.000 0.000 0.263 502 G C 1.115 175.892 174.900 -0.205 0.000 1.060 502 G CA 0.682 45.644 45.100 -0.230 0.000 0.793 502 G HN 0.382 nan 8.290 nan 0.000 0.532 503 T N -4.140 110.282 114.554 -0.220 0.000 2.966 503 T HA 0.342 4.691 4.350 -0.000 0.000 0.254 503 T C 1.434 175.991 174.700 -0.238 0.000 0.961 503 T CA -0.196 61.786 62.100 -0.197 0.000 0.915 503 T CB 0.287 69.047 68.868 -0.179 0.000 1.186 503 T HN -0.088 nan 8.240 nan 0.000 0.505 504 M N 3.050 122.434 119.600 -0.360 0.000 2.297 504 M HA 0.467 4.947 4.480 -0.000 0.000 0.211 504 M C 0.616 176.785 176.300 -0.219 0.000 0.897 504 M CA 0.205 55.277 55.300 -0.381 0.000 1.820 504 M CB -0.266 31.861 32.600 -0.789 0.000 1.104 504 M HN 0.404 nan 8.290 nan 0.000 0.886 505 T N -2.472 111.998 114.554 -0.139 0.000 2.893 505 T HA 0.699 5.049 4.350 -0.000 0.000 0.293 505 T C -0.001 174.685 174.700 -0.023 0.000 1.027 505 T CA -0.337 61.729 62.100 -0.058 0.000 0.988 505 T CB 1.567 70.427 68.868 -0.013 0.000 1.043 505 T HN 0.898 nan 8.240 nan 0.000 0.461 506 A N 2.029 124.820 122.820 -0.048 0.000 2.550 506 A HA -0.194 4.126 4.320 -0.000 0.000 0.298 506 A C 1.621 179.192 177.584 -0.022 0.000 1.485 506 A CA 1.300 53.307 52.037 -0.050 0.000 0.780 506 A CB -2.608 16.367 19.000 -0.040 0.000 1.045 506 A HN 2.060 nan 8.150 nan 0.000 0.423 507 T N -1.941 112.583 114.554 -0.050 0.000 3.026 507 T HA -0.195 4.154 4.350 -0.000 0.000 0.271 507 T C 1.308 175.993 174.700 -0.026 0.000 1.149 507 T CA 1.433 63.516 62.100 -0.029 0.000 1.088 507 T CB -0.476 68.260 68.868 -0.220 0.000 0.857 507 T HN 0.599 nan 8.240 nan 0.000 0.551 508 N N 1.932 120.602 118.700 -0.049 0.000 2.520 508 N HA -0.057 4.682 4.740 -0.000 0.000 0.185 508 N C 2.037 177.538 175.510 -0.016 0.000 1.068 508 N CA 0.935 53.967 53.050 -0.030 0.000 0.911 508 N CB -0.264 38.212 38.487 -0.018 0.000 0.961 508 N HN 0.780 nan 8.380 nan 0.000 0.446 509 R N -1.017 119.467 120.500 -0.028 0.000 2.161 509 R HA 0.000 4.340 4.340 -0.000 0.000 0.213 509 R C 1.227 177.406 176.300 -0.201 0.000 1.055 509 R CA 0.662 56.694 56.100 -0.113 0.000 0.996 509 R CB -0.677 29.518 30.300 -0.175 0.000 0.901 509 R HN 0.156 nan 8.270 nan 0.000 0.456 510 Y N 1.768 121.923 120.300 -0.242 0.000 2.242 510 Y HA 0.019 4.569 4.550 -0.000 0.000 0.291 510 Y C 2.810 178.474 175.900 -0.393 0.000 1.137 510 Y CA 1.361 59.273 58.100 -0.313 0.000 1.181 510 Y CB -0.235 38.075 38.460 -0.249 0.000 0.989 510 Y HN 0.228 nan 8.280 nan 0.000 0.527 511 A N 0.173 122.899 122.820 -0.156 0.000 1.929 511 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 511 A C 2.120 179.678 177.584 -0.044 0.000 1.176 511 A CA 1.487 53.390 52.037 -0.223 0.000 0.628 511 A CB -0.395 18.583 19.000 -0.037 0.000 0.816 511 A HN 0.380 nan 8.150 nan 0.000 0.444 512 K N -0.075 120.312 120.400 -0.021 0.000 2.148 512 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 512 K C 2.148 178.746 176.600 -0.004 0.000 1.050 512 K CA 1.583 57.890 56.287 0.033 0.000 0.942 512 K CB -0.422 32.088 32.500 0.017 0.000 0.724 512 K HN 0.811 nan 8.250 nan 0.000 0.446 513 M N -0.968 118.535 119.600 -0.162 0.000 2.213 513 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 513 M C 1.427 177.668 176.300 -0.098 0.000 1.062 513 M CA 1.674 56.853 55.300 -0.202 0.000 1.105 513 M CB -0.808 31.542 32.600 -0.416 0.000 1.385 513 M HN -0.001 nan 8.290 nan 0.000 0.417 514 Y N 2.396 122.685 120.300 -0.019 0.000 2.315 514 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 514 Y C 2.563 178.549 175.900 0.143 0.000 1.154 514 Y CA 1.741 59.876 58.100 0.059 0.000 1.229 514 Y CB -0.501 37.968 38.460 0.015 0.000 0.980 514 Y HN 0.550 nan 8.280 nan 0.000 0.540 515 T N -3.281 111.444 114.554 0.285 0.000 3.122 515 T HA -0.014 4.336 4.350 -0.000 0.000 0.250 515 T C 0.315 175.111 174.700 0.159 0.000 1.067 515 T CA -0.200 62.032 62.100 0.221 0.000 0.966 515 T CB -0.415 68.572 68.868 0.198 0.000 1.002 515 T HN 0.209 nan 8.240 nan 0.000 0.542 516 H N 3.217 122.338 119.070 0.084 0.000 2.767 516 H HA 0.074 4.630 4.556 -0.000 0.000 0.316 516 H C 0.663 176.038 175.328 0.077 0.000 1.059 516 H CA 0.246 56.327 56.048 0.054 0.000 1.461 516 H CB 0.989 30.755 29.762 0.007 0.000 1.475 516 H HN 0.364 nan 8.280 nan 0.000 0.531 517 D N 2.424 122.681 120.400 -0.238 0.000 2.403 517 D HA -0.155 4.485 4.640 -0.000 0.000 0.227 517 D C 1.220 177.573 176.300 0.088 0.000 0.995 517 D CA 0.755 54.728 54.000 -0.044 0.000 0.928 517 D CB -0.024 40.722 40.800 -0.090 0.000 0.887 517 D HN 0.443 nan 8.370 nan 0.000 0.529 518 S N -0.260 115.609 115.700 0.282 0.000 2.470 518 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 518 S C 1.256 175.976 174.600 0.199 0.000 1.006 518 S CA -0.419 57.943 58.200 0.270 0.000 0.934 518 S CB -0.346 63.055 63.200 0.335 0.000 0.778 518 S HN 0.232 nan 8.310 nan 0.000 0.517 519 L N 2.614 123.971 121.223 0.223 0.000 2.401 519 L HA 0.265 4.605 4.340 -0.000 0.000 0.283 519 L C 0.982 177.997 176.870 0.243 0.000 1.151 519 L CA -0.167 54.798 54.840 0.208 0.000 0.942 519 L CB 0.448 42.634 42.059 0.212 0.000 1.283 519 L HN 0.378 nan 8.230 nan 0.000 0.442 520 E N 2.834 123.191 120.200 0.261 0.000 2.274 520 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 520 E C -0.342 176.546 176.600 0.481 0.000 0.996 520 E CA 0.782 57.377 56.400 0.325 0.000 0.840 520 E CB 0.370 30.244 29.700 0.290 0.000 0.772 520 E HN 0.309 nan 8.360 nan 0.000 0.491 521 F N -0.128 119.941 119.950 0.198 0.000 2.650 521 F HA 0.325 4.852 4.527 -0.000 0.000 0.310 521 F C -1.739 174.111 175.800 0.083 0.000 1.112 521 F CA -1.171 56.898 58.000 0.114 0.000 0.986 521 F CB 1.516 40.610 39.000 0.158 0.000 1.285 521 F HN -0.417 nan 8.300 nan 0.000 0.440 522 V N 5.431 124.880 119.914 -0.774 0.000 2.686 522 V HA 0.718 4.838 4.120 -0.000 0.000 0.306 522 V C -1.204 174.323 176.094 -0.946 0.000 1.065 522 V CA -0.843 61.103 62.300 -0.590 0.000 0.894 522 V CB 1.850 33.553 31.823 -0.201 0.000 1.004 522 V HN 0.637 nan 8.190 nan 0.000 0.424 523 V N 2.829 122.309 119.914 -0.723 0.000 2.588 523 V HA 0.640 4.760 4.120 -0.000 0.000 0.304 523 V C -0.185 175.644 176.094 -0.441 0.000 1.042 523 V CA -0.420 61.473 62.300 -0.679 0.000 0.877 523 V CB 2.140 33.426 31.823 -0.896 0.000 0.996 523 V HN 0.842 nan 8.190 nan 0.000 0.425 524 S N 3.496 118.987 115.700 -0.349 0.000 2.596 524 S HA 0.400 4.870 4.470 -0.000 0.000 0.318 524 S C -0.554 173.946 174.600 -0.167 0.000 1.097 524 S CA -0.507 57.548 58.200 -0.241 0.000 1.080 524 S CB 1.093 64.120 63.200 -0.289 0.000 0.991 524 S HN 0.823 nan 8.310 nan 0.000 0.471 525 Q N 3.978 123.750 119.800 -0.047 0.000 2.569 525 Q HA 0.484 4.824 4.340 -0.000 0.000 0.226 525 Q C -0.805 175.045 176.000 -0.250 0.000 1.136 525 Q CA -0.229 55.549 55.803 -0.042 0.000 0.947 525 Q CB 0.239 29.104 28.738 0.212 0.000 1.218 525 Q HN 0.664 nan 8.270 nan 0.000 0.547 526 S N 2.248 117.800 115.700 -0.246 0.000 2.751 526 S HA 0.515 4.984 4.470 -0.000 0.000 0.310 526 S C 0.692 175.113 174.600 -0.299 0.000 1.128 526 S CA -0.751 57.273 58.200 -0.294 0.000 0.931 526 S CB 1.040 64.103 63.200 -0.227 0.000 1.177 526 S HN 0.625 nan 8.310 nan 0.000 0.530 527 I N -0.817 119.541 120.570 -0.353 0.000 3.172 527 I HA 0.209 4.379 4.170 -0.000 0.000 0.278 527 I C -0.235 175.516 176.117 -0.611 0.000 1.174 527 I CA 0.552 61.495 61.300 -0.595 0.000 1.445 527 I CB 0.330 37.724 38.000 -1.009 0.000 1.175 527 I HN 0.319 nan 8.210 nan 0.000 0.447 528 W N -0.038 121.201 121.300 -0.102 0.000 2.781 528 W HA 0.301 4.961 4.660 -0.000 0.000 0.345 528 W C -0.897 175.576 176.519 -0.077 0.000 1.085 528 W CA -1.084 56.224 57.345 -0.061 0.000 1.198 528 W CB 1.311 30.730 29.460 -0.068 0.000 1.423 528 W HN -0.246 nan 8.180 nan 0.000 0.532 529 F N 4.031 123.993 119.950 0.021 0.000 2.462 529 F HA 0.180 4.707 4.527 -0.000 0.000 0.354 529 F C 0.300 175.988 175.800 -0.188 0.000 1.192 529 F CA 0.317 58.163 58.000 -0.257 0.000 1.173 529 F CB -0.168 38.469 39.000 -0.605 0.000 1.402 529 F HN 0.332 nan 8.300 nan 0.000 0.595 530 E N 2.411 122.392 120.200 -0.363 0.000 2.439 530 E HA 0.597 4.947 4.350 -0.000 0.000 0.279 530 E C 0.396 176.851 176.600 -0.242 0.000 1.077 530 E CA -0.790 55.458 56.400 -0.253 0.000 0.849 530 E CB 0.413 30.057 29.700 -0.093 0.000 1.408 530 E HN 0.616 nan 8.360 nan 0.000 0.457 531 G N 1.317 110.049 108.800 -0.113 0.000 2.665 531 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.326 531 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.326 531 G C 0.671 175.565 174.900 -0.010 0.000 1.231 531 G CA 0.966 46.038 45.100 -0.047 0.000 0.992 531 G HN 0.696 nan 8.290 nan 0.000 0.549 532 E N 0.314 120.460 120.200 -0.090 0.000 2.442 532 E HA 0.227 4.577 4.350 -0.000 0.000 0.195 532 E C 2.634 179.137 176.600 -0.161 0.000 1.030 532 E CA 0.497 56.859 56.400 -0.063 0.000 0.869 532 E CB 0.130 29.743 29.700 -0.145 0.000 0.857 532 E HN 0.333 nan 8.360 nan 0.000 0.505 533 V N 1.552 121.285 119.914 -0.301 0.000 2.380 533 V HA -0.203 3.916 4.120 -0.000 0.000 0.251 533 V C -1.028 174.759 176.094 -0.512 0.000 1.063 533 V CA 1.641 63.679 62.300 -0.436 0.000 1.055 533 V CB -1.361 30.142 31.823 -0.533 0.000 0.657 533 V HN 0.201 nan 8.190 nan 0.000 0.455 534 P HA 0.025 nan 4.420 nan 0.000 0.252 534 P C 0.712 177.832 177.300 -0.300 0.000 1.265 534 P CA 0.965 63.787 63.100 -0.464 0.000 0.775 534 P CB -0.249 31.078 31.700 -0.622 0.000 1.128 535 F N -1.039 118.707 119.950 -0.340 0.000 2.694 535 F HA 0.327 4.854 4.527 -0.000 0.000 0.292 535 F C 1.602 177.209 175.800 -0.322 0.000 1.121 535 F CA -0.309 57.451 58.000 -0.400 0.000 1.352 535 F CB -0.539 37.876 39.000 -0.975 0.000 1.107 535 F HN -0.221 nan 8.300 nan 0.000 0.597 536 A N 0.459 123.189 122.820 -0.150 0.000 2.429 536 A HA 0.067 4.387 4.320 -0.000 0.000 0.242 536 A C 0.936 178.481 177.584 -0.065 0.000 1.088 536 A CA 0.245 52.169 52.037 -0.188 0.000 0.784 536 A CB 0.057 18.887 19.000 -0.284 0.000 1.038 536 A HN 0.275 nan 8.150 nan 0.000 0.501 537 D N -0.785 119.451 120.400 -0.274 0.000 2.355 537 D HA 0.178 4.818 4.640 -0.000 0.000 0.206 537 D C -0.069 176.136 176.300 -0.159 0.000 1.010 537 D CA 0.850 54.648 54.000 -0.335 0.000 0.875 537 D CB 0.400 40.600 40.800 -1.001 0.000 0.966 537 D HN 0.287 nan 8.370 nan 0.000 0.512 538 I N 1.438 121.877 120.570 -0.219 0.000 2.610 538 I HA 0.322 4.491 4.170 -0.000 0.000 0.289 538 I C -0.651 175.337 176.117 -0.215 0.000 1.163 538 I CA -0.534 60.696 61.300 -0.118 0.000 1.044 538 I CB 2.391 40.379 38.000 -0.020 0.000 1.251 538 I HN -0.263 nan 8.210 nan 0.000 0.424 539 I N 6.081 126.527 120.570 -0.207 0.000 2.530 539 I HA 0.491 4.661 4.170 -0.000 0.000 0.297 539 I C -0.693 175.281 176.117 -0.237 0.000 1.011 539 I CA -0.735 60.413 61.300 -0.254 0.000 1.107 539 I CB 2.309 40.116 38.000 -0.321 0.000 1.285 539 I HN 0.249 nan 8.210 nan 0.000 0.436 540 L N 7.093 128.202 121.223 -0.190 0.000 2.349 540 L HA 0.469 4.808 4.340 -0.000 0.000 0.278 540 L C -2.596 174.235 176.870 -0.065 0.000 0.996 540 L CA -1.904 52.842 54.840 -0.155 0.000 0.825 540 L CB 1.790 43.907 42.059 0.097 0.000 1.243 540 L HN 0.225 nan 8.230 nan 0.000 0.412 541 P HA 0.228 nan 4.420 nan 0.000 0.276 541 P C -0.756 176.627 177.300 0.138 0.000 1.264 541 P CA -0.005 63.106 63.100 0.019 0.000 0.769 541 P CB 1.229 32.943 31.700 0.023 0.000 0.840 542 A N 3.163 125.950 122.820 -0.055 0.000 2.322 542 A HA 0.720 5.040 4.320 -0.000 0.000 0.327 542 A C 0.173 177.661 177.584 -0.160 0.000 1.134 542 A CA -0.464 51.519 52.037 -0.089 0.000 0.831 542 A CB 0.698 19.582 19.000 -0.194 0.000 1.288 542 A HN 0.696 nan 8.150 nan 0.000 0.472 543 C N -0.342 118.890 119.300 -0.114 0.000 2.407 543 C HA 0.920 5.380 4.460 -0.000 0.000 0.366 543 C C 0.832 175.755 174.990 -0.112 0.000 1.213 543 C CA 0.033 58.980 59.018 -0.119 0.000 2.011 543 C CB 0.594 28.315 27.740 -0.032 0.000 2.306 543 C HN 1.167 nan 8.230 nan 0.000 0.527 544 T N -0.389 114.132 114.554 -0.054 0.000 2.874 544 T HA 0.231 4.581 4.350 -0.000 0.000 0.281 544 T C 1.136 175.942 174.700 0.175 0.000 0.994 544 T CA 0.014 62.178 62.100 0.106 0.000 1.015 544 T CB 0.540 69.600 68.868 0.321 0.000 1.028 544 T HN 0.927 nan 8.240 nan 0.000 0.523 545 N N 0.261 119.082 118.700 0.201 0.000 2.635 545 N HA -0.105 4.635 4.740 -0.000 0.000 0.191 545 N C 0.643 176.118 175.510 -0.058 0.000 1.155 545 N CA 0.748 53.836 53.050 0.064 0.000 0.927 545 N CB -0.537 37.956 38.487 0.010 0.000 0.976 545 N HN 0.641 nan 8.380 nan 0.000 0.448 546 F N 0.675 120.641 119.950 0.026 0.000 2.776 546 F HA 0.240 4.767 4.527 -0.000 0.000 0.300 546 F C 1.288 177.042 175.800 -0.076 0.000 1.116 546 F CA 0.066 58.056 58.000 -0.016 0.000 1.375 546 F CB 0.296 39.318 39.000 0.038 0.000 1.109 546 F HN 0.059 nan 8.300 nan 0.000 0.585 547 E N 0.633 120.889 120.200 0.093 0.000 2.499 547 E HA 0.177 4.527 4.350 -0.000 0.000 0.199 547 E C 0.202 176.778 176.600 -0.040 0.000 1.016 547 E CA -0.193 56.213 56.400 0.011 0.000 0.933 547 E CB 0.366 30.083 29.700 0.028 0.000 1.050 547 E HN 0.356 nan 8.360 nan 0.000 0.462 548 R N -1.047 119.397 120.500 -0.093 0.000 2.747 548 R HA 0.429 4.769 4.340 -0.000 0.000 0.272 548 R C -1.653 174.560 176.300 -0.145 0.000 1.032 548 R CA -1.046 55.014 56.100 -0.067 0.000 0.896 548 R CB 0.545 30.896 30.300 0.084 0.000 1.253 548 R HN -0.105 nan 8.270 nan 0.000 0.461 549 W N 0.619 121.990 121.300 0.119 0.000 2.417 549 W HA 0.538 5.197 4.660 -0.000 0.000 0.317 549 W C 0.010 176.610 176.519 0.136 0.000 1.121 549 W CA 0.460 57.892 57.345 0.145 0.000 1.208 549 W CB 1.237 30.814 29.460 0.195 0.000 1.253 549 W HN 0.466 nan 8.180 nan 0.000 0.533 550 D N 1.168 121.802 120.400 0.389 0.000 2.779 550 D HA 0.506 5.146 4.640 -0.000 0.000 0.331 550 D C -1.737 174.752 176.300 0.314 0.000 1.331 550 D CA -0.662 53.500 54.000 0.271 0.000 0.866 550 D CB 2.070 42.961 40.800 0.151 0.000 1.409 550 D HN 0.377 nan 8.370 nan 0.000 0.486 551 I N 0.254 120.964 120.570 0.233 0.000 2.918 551 I HA 0.582 4.752 4.170 -0.000 0.000 0.301 551 I C -1.473 174.781 176.117 0.229 0.000 1.312 551 I CA -0.048 61.458 61.300 0.345 0.000 1.007 551 I CB 1.711 40.029 38.000 0.529 0.000 1.281 551 I HN 0.614 nan 8.210 nan 0.000 0.440 552 S N 3.960 119.861 115.700 0.334 0.000 2.656 552 S HA 0.432 4.902 4.470 -0.000 0.000 0.265 552 S C -1.538 173.259 174.600 0.330 0.000 1.132 552 S CA -0.891 57.493 58.200 0.306 0.000 0.819 552 S CB 1.613 64.822 63.200 0.015 0.000 1.119 552 S HN 0.841 nan 8.310 nan 0.000 0.476 553 E N 0.108 120.555 120.200 0.412 0.000 2.256 553 E HA 0.521 4.871 4.350 -0.000 0.000 0.267 553 E C -1.257 175.741 176.600 0.662 0.000 0.892 553 E CA -0.960 55.653 56.400 0.355 0.000 0.775 553 E CB 1.030 30.873 29.700 0.240 0.000 1.207 553 E HN 0.528 nan 8.360 nan 0.000 0.420 554 F N 3.684 123.844 119.950 0.350 0.000 2.539 554 F HA 0.082 4.609 4.527 -0.000 0.000 0.393 554 F C 0.987 177.023 175.800 0.395 0.000 1.032 554 F CA 1.043 59.229 58.000 0.311 0.000 1.120 554 F CB -0.736 38.390 39.000 0.209 0.000 1.014 554 F HN 0.765 nan 8.300 nan 0.000 0.546 555 A N 3.865 127.114 122.820 0.715 0.000 3.100 555 A HA -0.338 3.982 4.320 -0.000 0.000 0.268 555 A C 1.088 179.098 177.584 0.711 0.000 1.227 555 A CA 1.132 53.495 52.037 0.543 0.000 0.967 555 A CB -2.524 16.550 19.000 0.122 0.000 1.066 555 A HN 0.783 nan 8.150 nan 0.000 0.787 556 N N -0.061 119.081 118.700 0.738 0.000 2.406 556 N HA 0.188 4.928 4.740 -0.000 0.000 0.269 556 N C 1.004 176.704 175.510 0.317 0.000 1.210 556 N CA 0.677 54.043 53.050 0.527 0.000 0.966 556 N CB 0.181 38.965 38.487 0.495 0.000 1.293 556 N HN 0.705 nan 8.380 nan 0.000 0.491 557 C N 2.738 122.160 119.300 0.203 0.000 2.568 557 C HA 0.197 4.657 4.460 -0.000 0.000 0.284 557 C C 1.372 176.060 174.990 -0.504 0.000 1.338 557 C CA 1.115 59.953 59.018 -0.300 0.000 1.724 557 C CB -0.905 26.903 27.740 0.113 0.000 2.131 557 C HN 0.876 nan 8.230 nan 0.000 0.513 558 S N -1.326 114.207 115.700 -0.279 0.000 3.513 558 S HA 0.190 4.660 4.470 -0.000 0.000 0.636 558 S C 0.898 175.121 174.600 -0.628 0.000 2.452 558 S CA 2.019 59.982 58.200 -0.395 0.000 2.644 558 S CB -1.540 61.535 63.200 -0.209 0.000 0.331 558 S HN 2.704 nan 8.310 nan 0.000 1.787 559 G N 0.745 109.090 108.800 -0.759 0.000 2.609 559 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.288 559 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.288 559 G C 0.499 175.025 174.900 -0.625 0.000 1.211 559 G CA 1.137 45.824 45.100 -0.688 0.000 0.963 559 G HN 2.140 nan 8.290 nan 0.000 0.541 560 Y N 0.944 121.171 120.300 -0.122 0.000 2.553 560 Y HA 0.675 5.225 4.550 -0.000 0.000 0.303 560 Y C 1.485 177.323 175.900 -0.104 0.000 1.194 560 Y CA 0.116 58.163 58.100 -0.089 0.000 1.305 560 Y CB -0.241 38.188 38.460 -0.052 0.000 1.045 560 Y HN 0.375 nan 8.280 nan 0.000 0.514 561 I N 1.506 122.007 120.570 -0.115 0.000 2.933 561 I HA 0.272 4.442 4.170 -0.000 0.000 0.306 561 I C -2.815 173.055 176.117 -0.412 0.000 1.516 561 I CA -1.911 59.290 61.300 -0.164 0.000 0.819 561 I CB 0.996 38.992 38.000 -0.007 0.000 2.085 561 I HN -0.181 nan 8.210 nan 0.000 0.621 562 P HA -0.057 nan 4.420 nan 0.000 0.261 562 P C -0.058 176.932 177.300 -0.517 0.000 1.173 562 P CA 0.750 63.321 63.100 -0.883 0.000 0.760 562 P CB 0.236 31.196 31.700 -1.234 0.000 0.783 563 D N 1.253 121.438 120.400 -0.359 0.000 2.751 563 D HA -0.219 4.420 4.640 -0.000 0.000 0.233 563 D C 0.637 176.406 176.300 -0.886 0.000 1.149 563 D CA 1.147 54.786 54.000 -0.602 0.000 0.682 563 D CB -1.720 38.828 40.800 -0.420 0.000 1.068 563 D HN 0.684 nan 8.370 nan 0.000 0.429 564 N N -0.418 117.986 118.700 -0.492 0.000 2.550 564 N HA -0.171 4.568 4.740 -0.000 0.000 0.186 564 N C 1.853 177.231 175.510 -0.220 0.000 1.110 564 N CA 0.286 53.128 53.050 -0.347 0.000 0.912 564 N CB -0.484 37.898 38.487 -0.174 0.000 0.968 564 N HN 0.526 nan 8.380 nan 0.000 0.448 565 Y N 0.686 121.028 120.300 0.070 0.000 2.569 565 Y HA -0.125 4.424 4.550 -0.000 0.000 0.293 565 Y C 2.084 178.020 175.900 0.061 0.000 1.144 565 Y CA 0.391 58.556 58.100 0.107 0.000 1.321 565 Y CB -0.801 37.777 38.460 0.197 0.000 0.982 565 Y HN 0.313 nan 8.280 nan 0.000 0.558 566 Q N 0.844 120.526 119.800 -0.197 0.000 2.541 566 Q HA -0.018 4.322 4.340 -0.000 0.000 0.215 566 Q C 1.350 177.328 176.000 -0.037 0.000 0.977 566 Q CA 0.858 56.638 55.803 -0.038 0.000 0.934 566 Q CB -0.425 28.238 28.738 -0.125 0.000 0.988 566 Q HN 0.635 nan 8.270 nan 0.000 0.521 567 L N 0.212 121.394 121.223 -0.068 0.000 2.240 567 L HA 0.016 4.356 4.340 -0.000 0.000 0.211 567 L C 0.902 177.719 176.870 -0.090 0.000 1.106 567 L CA -0.073 54.715 54.840 -0.086 0.000 0.793 567 L CB 0.063 42.056 42.059 -0.109 0.000 0.927 567 L HN 0.362 nan 8.230 nan 0.000 0.446 568 C N -0.515 118.724 119.300 -0.101 0.000 2.365 568 C HA 0.174 4.634 4.460 -0.000 0.000 0.374 568 C C 1.724 176.791 174.990 0.129 0.000 1.318 568 C CA -0.859 58.098 59.018 -0.101 0.000 2.239 568 C CB 0.684 28.242 27.740 -0.304 0.000 2.144 568 C HN 0.360 nan 8.230 nan 0.000 0.581 569 N N -0.278 118.569 118.700 0.244 0.000 2.356 569 N HA 0.074 4.814 4.740 -0.000 0.000 0.178 569 N C -0.485 175.113 175.510 0.147 0.000 1.075 569 N CA 0.699 53.942 53.050 0.322 0.000 0.889 569 N CB 0.110 38.761 38.487 0.273 0.000 0.999 569 N HN 0.717 nan 8.380 nan 0.000 0.464 570 H N -0.786 118.528 119.070 0.407 0.000 2.974 570 H HA 0.357 4.913 4.556 -0.000 0.000 0.366 570 H C -0.498 175.001 175.328 0.285 0.000 1.155 570 H CA -0.650 55.611 56.048 0.354 0.000 1.186 570 H CB 1.446 31.442 29.762 0.390 0.000 1.799 570 H HN -0.205 nan 8.280 nan 0.000 0.541 571 R N 1.901 122.563 120.500 0.270 0.000 2.242 571 R HA 0.339 4.678 4.340 -0.000 0.000 0.334 571 R C -0.889 175.479 176.300 0.112 0.000 1.071 571 R CA -0.420 55.779 56.100 0.165 0.000 0.922 571 R CB 0.517 30.816 30.300 -0.003 0.000 1.023 571 R HN 0.210 nan 8.270 nan 0.000 0.458 572 V N 6.379 126.439 119.914 0.242 0.000 2.378 572 V HA 0.359 4.479 4.120 -0.000 0.000 0.288 572 V C 0.140 176.339 176.094 0.175 0.000 1.016 572 V CA -0.601 61.811 62.300 0.186 0.000 0.840 572 V CB 1.597 33.563 31.823 0.238 0.000 0.994 572 V HN 0.625 nan 8.190 nan 0.000 0.431 573 I N 5.126 125.785 120.570 0.148 0.000 2.330 573 I HA 0.524 4.694 4.170 -0.000 0.000 0.289 573 I C 0.172 176.542 176.117 0.421 0.000 1.001 573 I CA 0.018 61.397 61.300 0.132 0.000 1.193 573 I CB 1.670 39.624 38.000 -0.077 0.000 1.345 573 I HN 0.699 nan 8.210 nan 0.000 0.461 574 S N 6.428 122.355 115.700 0.378 0.000 2.536 574 S HA 0.629 5.099 4.470 -0.000 0.000 0.287 574 S C -0.791 174.000 174.600 0.318 0.000 1.101 574 S CA -0.911 57.487 58.200 0.330 0.000 0.950 574 S CB 2.182 65.482 63.200 0.166 0.000 1.056 574 S HN 0.477 nan 8.310 nan 0.000 0.481 575 L N 2.144 123.402 121.223 0.059 0.000 2.410 575 L HA 0.336 4.676 4.340 -0.000 0.000 0.273 575 L C 0.026 176.945 176.870 0.082 0.000 1.152 575 L CA 0.503 55.395 54.840 0.087 0.000 0.855 575 L CB 0.434 42.329 42.059 -0.274 0.000 1.129 575 L HN 0.795 nan 8.230 nan 0.000 0.463 576 Q N 5.527 125.423 119.800 0.161 0.000 2.673 576 Q HA 0.432 4.772 4.340 -0.000 0.000 0.224 576 Q C -0.125 175.881 176.000 0.010 0.000 1.226 576 Q CA -0.494 55.329 55.803 0.033 0.000 1.019 576 Q CB 0.709 29.467 28.738 0.034 0.000 1.312 576 Q HN 0.853 nan 8.270 nan 0.000 0.566 577 A N 2.408 125.178 122.820 -0.085 0.000 2.511 577 A HA 0.032 4.351 4.320 -0.000 0.000 0.242 577 A C 0.253 177.432 177.584 -0.674 0.000 1.069 577 A CA -0.128 51.724 52.037 -0.309 0.000 0.763 577 A CB 0.245 19.116 19.000 -0.214 0.000 1.001 577 A HN 0.605 nan 8.150 nan 0.000 0.498 578 K N 2.887 122.355 120.400 -1.554 0.000 2.245 578 K HA 0.115 4.435 4.320 -0.000 0.000 0.281 578 K C 0.589 176.855 176.600 -0.556 0.000 1.079 578 K CA -0.311 55.323 56.287 -1.088 0.000 1.000 578 K CB -0.464 31.116 32.500 -1.533 0.000 1.038 578 K HN 0.737 nan 8.250 nan 0.000 0.430 579 C N 4.466 123.612 119.300 -0.257 0.000 2.473 579 C HA -0.005 4.455 4.460 -0.000 0.000 0.279 579 C C 1.364 176.343 174.990 -0.020 0.000 1.250 579 C CA 0.091 59.063 59.018 -0.077 0.000 1.713 579 C CB -0.681 27.109 27.740 0.083 0.000 2.066 579 C HN 0.854 nan 8.230 nan 0.000 0.474 580 I N -2.098 118.480 120.570 0.013 0.000 3.067 580 I HA 0.569 4.739 4.170 -0.000 0.000 0.312 580 I C -0.528 175.607 176.117 0.031 0.000 1.073 580 I CA -0.708 60.623 61.300 0.051 0.000 1.016 580 I CB 0.754 38.820 38.000 0.110 0.000 1.227 580 I HN -0.040 nan 8.210 nan 0.000 0.456 581 E N 1.878 122.114 120.200 0.061 0.000 2.392 581 E HA 0.320 4.670 4.350 -0.000 0.000 0.259 581 E C -2.336 174.300 176.600 0.060 0.000 1.108 581 E CA -1.486 54.950 56.400 0.060 0.000 0.916 581 E CB 0.191 29.936 29.700 0.075 0.000 0.989 581 E HN 0.418 nan 8.360 nan 0.000 0.432 582 P HA -0.048 nan 4.420 nan 0.000 0.264 582 P C -0.536 176.802 177.300 0.064 0.000 1.183 582 P CA 0.164 63.293 63.100 0.049 0.000 0.763 582 P CB 0.424 32.157 31.700 0.054 0.000 0.807 583 V N 3.719 123.660 119.914 0.045 0.000 2.614 583 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 583 V C 1.350 177.485 176.094 0.068 0.000 1.049 583 V CA 1.161 63.501 62.300 0.067 0.000 1.038 583 V CB -0.021 31.826 31.823 0.041 0.000 0.980 583 V HN 1.055 nan 8.190 nan 0.000 0.481 584 G N 4.437 113.291 108.800 0.089 0.000 2.556 584 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.283 584 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.283 584 G C 0.368 175.357 174.900 0.148 0.000 1.177 584 G CA 0.639 45.803 45.100 0.106 0.000 0.978 584 G HN 0.789 nan 8.290 nan 0.000 0.554 585 E N 0.669 120.988 120.200 0.198 0.000 2.736 585 E HA 0.458 4.808 4.350 -0.000 0.000 0.208 585 E C 0.888 177.741 176.600 0.423 0.000 0.996 585 E CA 0.506 57.081 56.400 0.292 0.000 1.104 585 E CB -0.050 29.835 29.700 0.310 0.000 1.111 585 E HN 0.720 nan 8.360 nan 0.000 0.455 586 S N 0.233 116.096 115.700 0.272 0.000 2.693 586 S HA 0.695 5.165 4.470 -0.000 0.000 0.276 586 S C 0.090 174.794 174.600 0.173 0.000 1.192 586 S CA -0.785 57.587 58.200 0.288 0.000 0.994 586 S CB 1.304 64.564 63.200 0.100 0.000 1.012 586 S HN 0.269 nan 8.310 nan 0.000 0.550 587 M N -0.234 119.424 119.600 0.096 0.000 2.644 587 M HA 0.515 4.995 4.480 -0.000 0.000 0.273 587 M C -0.479 175.804 176.300 -0.028 0.000 1.253 587 M CA -0.956 54.321 55.300 -0.039 0.000 0.852 587 M CB 1.662 34.116 32.600 -0.244 0.000 1.708 587 M HN 0.734 nan 8.290 nan 0.000 0.471 588 S N -0.232 115.476 115.700 0.013 0.000 2.566 588 S HA 0.054 4.524 4.470 -0.000 0.000 0.280 588 S C 0.300 174.924 174.600 0.041 0.000 1.343 588 S CA 0.157 58.398 58.200 0.068 0.000 1.036 588 S CB 0.428 63.724 63.200 0.162 0.000 0.866 588 S HN 0.756 nan 8.310 nan 0.000 0.526 589 D N 0.888 121.328 120.400 0.067 0.000 2.123 589 D HA -0.165 4.474 4.640 -0.000 0.000 0.196 589 D C 1.471 177.780 176.300 0.015 0.000 0.992 589 D CA 1.776 55.756 54.000 -0.034 0.000 0.833 589 D CB -0.347 40.556 40.800 0.172 0.000 0.954 589 D HN 0.832 nan 8.370 nan 0.000 0.455 590 Y N 2.035 122.446 120.300 0.185 0.000 2.128 590 Y HA -0.218 4.331 4.550 -0.000 0.000 0.284 590 Y C 2.221 178.303 175.900 0.302 0.000 1.154 590 Y CA 1.587 59.897 58.100 0.351 0.000 1.149 590 Y CB 0.088 38.730 38.460 0.303 0.000 0.976 590 Y HN -0.184 nan 8.280 nan 0.000 0.505 591 E N 0.348 120.690 120.200 0.235 0.000 2.150 591 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 591 E C 2.317 178.856 176.600 -0.102 0.000 0.985 591 E CA 1.245 57.697 56.400 0.087 0.000 0.814 591 E CB -0.253 29.491 29.700 0.075 0.000 0.752 591 E HN 0.627 nan 8.360 nan 0.000 0.466 592 I N -0.171 120.289 120.570 -0.182 0.000 2.163 592 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 592 I C 2.192 178.244 176.117 -0.108 0.000 1.081 592 I CA 1.163 62.312 61.300 -0.253 0.000 1.353 592 I CB -0.454 37.404 38.000 -0.237 0.000 1.054 592 I HN 0.120 nan 8.210 nan 0.000 0.407 593 Y N 0.438 120.633 120.300 -0.174 0.000 2.256 593 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 593 Y C 2.812 178.476 175.900 -0.394 0.000 1.155 593 Y CA 0.807 58.540 58.100 -0.612 0.000 1.203 593 Y CB -0.236 37.712 38.460 -0.854 0.000 0.980 593 Y HN 0.099 nan 8.280 nan 0.000 0.530 594 R N 0.323 120.851 120.500 0.048 0.000 2.148 594 R HA -0.163 4.176 4.340 -0.000 0.000 0.227 594 R C 2.056 178.437 176.300 0.135 0.000 1.103 594 R CA 0.869 57.099 56.100 0.216 0.000 0.983 594 R CB -0.250 30.147 30.300 0.162 0.000 0.874 594 R HN 0.323 nan 8.270 nan 0.000 0.451 595 L N -0.159 121.077 121.223 0.021 0.000 2.109 595 L HA 0.024 4.363 4.340 -0.000 0.000 0.207 595 L C 1.510 178.377 176.870 -0.004 0.000 1.086 595 L CA 1.623 56.435 54.840 -0.048 0.000 0.760 595 L CB -0.448 41.485 42.059 -0.211 0.000 0.910 595 L HN 0.083 nan 8.230 nan 0.000 0.437 596 F N -0.205 119.789 119.950 0.075 0.000 2.113 596 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 596 F C 2.532 178.484 175.800 0.253 0.000 1.103 596 F CA 1.303 59.417 58.000 0.190 0.000 1.248 596 F CB -0.783 38.360 39.000 0.239 0.000 0.999 596 F HN 0.181 nan 8.300 nan 0.000 0.475 597 A N 0.146 123.241 122.820 0.459 0.000 1.903 597 A HA -0.329 3.991 4.320 -0.000 0.000 0.219 597 A C 2.202 179.942 177.584 0.259 0.000 1.191 597 A CA 2.296 54.544 52.037 0.350 0.000 0.638 597 A CB -0.925 18.269 19.000 0.323 0.000 0.823 597 A HN 0.368 nan 8.150 nan 0.000 0.451 598 K N -0.364 120.167 120.400 0.220 0.000 2.063 598 K HA -0.165 4.154 4.320 -0.000 0.000 0.208 598 K C 1.906 178.591 176.600 0.141 0.000 1.048 598 K CA 1.833 58.216 56.287 0.160 0.000 0.928 598 K CB -0.168 32.405 32.500 0.121 0.000 0.713 598 K HN 0.467 nan 8.250 nan 0.000 0.442 599 K N 0.146 120.638 120.400 0.153 0.000 2.366 599 K HA 0.029 4.349 4.320 -0.000 0.000 0.198 599 K C 1.563 178.265 176.600 0.171 0.000 1.044 599 K CA 0.417 56.789 56.287 0.143 0.000 0.973 599 K CB 0.239 32.814 32.500 0.125 0.000 0.767 599 K HN 0.187 nan 8.250 nan 0.000 0.475 600 L N 0.279 121.626 121.223 0.207 0.000 2.607 600 L HA 0.082 4.422 4.340 -0.000 0.000 0.228 600 L C 0.001 176.943 176.870 0.120 0.000 1.123 600 L CA -0.218 54.725 54.840 0.173 0.000 0.890 600 L CB -0.207 41.972 42.059 0.201 0.000 1.103 600 L HN 0.252 nan 8.230 nan 0.000 0.468 601 N N 1.295 120.069 118.700 0.125 0.000 2.771 601 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 601 N C 0.013 175.583 175.510 0.099 0.000 1.069 601 N CA 0.804 53.916 53.050 0.102 0.000 0.688 601 N CB -1.082 37.453 38.487 0.080 0.000 0.928 601 N HN 0.566 nan 8.380 nan 0.000 0.551 602 I N -3.571 117.075 120.570 0.128 0.000 3.554 602 I HA 0.238 4.407 4.170 -0.000 0.000 0.321 602 I C 1.118 177.361 176.117 0.210 0.000 1.484 602 I CA -0.608 60.772 61.300 0.133 0.000 0.975 602 I CB 0.163 38.217 38.000 0.091 0.000 1.528 602 I HN 0.144 nan 8.210 nan 0.000 0.609 603 E N 2.231 122.560 120.200 0.215 0.000 2.085 603 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 603 E C 1.872 178.629 176.600 0.261 0.000 0.994 603 E CA 2.205 58.770 56.400 0.275 0.000 0.801 603 E CB 0.233 30.061 29.700 0.213 0.000 0.743 603 E HN 0.584 nan 8.360 nan 0.000 0.453 604 E N 0.284 120.594 120.200 0.183 0.000 2.051 604 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 604 E C 1.913 178.621 176.600 0.181 0.000 0.991 604 E CA 1.803 58.296 56.400 0.154 0.000 0.799 604 E CB -0.173 29.591 29.700 0.106 0.000 0.748 604 E HN 0.283 nan 8.360 nan 0.000 0.449 605 M N -0.538 119.169 119.600 0.178 0.000 2.108 605 M HA -0.017 4.463 4.480 -0.000 0.000 0.261 605 M C 1.953 178.419 176.300 0.278 0.000 1.066 605 M CA 1.409 56.818 55.300 0.182 0.000 1.107 605 M CB -0.700 31.975 32.600 0.125 0.000 1.356 605 M HN 0.222 nan 8.290 nan 0.000 0.406 606 F N 0.558 120.614 119.950 0.177 0.000 2.074 606 F HA -0.129 4.398 4.527 -0.000 0.000 0.293 606 F C 2.610 178.641 175.800 0.385 0.000 1.116 606 F CA 1.743 59.878 58.000 0.225 0.000 1.212 606 F CB -0.806 38.313 39.000 0.198 0.000 0.998 606 F HN 0.242 nan 8.300 nan 0.000 0.471 607 S N -0.810 114.951 115.700 0.102 0.000 2.446 607 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 607 S C 1.124 175.867 174.600 0.238 0.000 1.016 607 S CA 0.696 58.995 58.200 0.164 0.000 0.943 607 S CB -0.475 62.874 63.200 0.249 0.000 0.786 607 S HN 0.543 nan 8.310 nan 0.000 0.508 608 E N 0.272 120.583 120.200 0.184 0.000 2.722 608 E HA -0.183 4.167 4.350 -0.000 0.000 0.265 608 E C 0.701 177.290 176.600 -0.019 0.000 1.081 608 E CA 0.394 56.850 56.400 0.094 0.000 0.781 608 E CB -1.775 27.972 29.700 0.077 0.000 1.372 608 E HN 1.020 nan 8.360 nan 0.000 0.423 609 G N -0.168 108.652 108.800 0.033 0.000 2.168 609 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.257 609 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.257 609 G C 0.038 174.896 174.900 -0.069 0.000 0.997 609 G CA 1.089 46.190 45.100 0.001 0.000 0.708 609 G HN 0.306 nan 8.290 nan 0.000 0.520 610 K N 0.477 120.796 120.400 -0.135 0.000 2.208 610 K HA 0.602 4.922 4.320 -0.000 0.000 0.247 610 K C -0.241 176.333 176.600 -0.043 0.000 0.953 610 K CA -0.539 55.575 56.287 -0.288 0.000 0.837 610 K CB 1.479 33.448 32.500 -0.885 0.000 1.131 610 K HN 0.281 nan 8.250 nan 0.000 0.431 611 D N -0.322 120.048 120.400 -0.051 0.000 2.569 611 D HA 0.094 4.734 4.640 -0.000 0.000 0.266 611 D C 0.438 176.712 176.300 -0.044 0.000 1.164 611 D CA -0.637 53.412 54.000 0.081 0.000 1.071 611 D CB 0.463 41.320 40.800 0.096 0.000 1.183 611 D HN 0.509 nan 8.370 nan 0.000 0.613 612 E N -1.276 118.883 120.200 -0.069 0.000 2.130 612 E HA -0.145 4.204 4.350 -0.000 0.000 0.196 612 E C 1.655 178.301 176.600 0.076 0.000 0.998 612 E CA 0.722 57.096 56.400 -0.044 0.000 0.806 612 E CB -0.106 29.658 29.700 0.107 0.000 0.738 612 E HN 0.289 nan 8.360 nan 0.000 0.459 613 L N -0.058 121.173 121.223 0.014 0.000 2.240 613 L HA 0.041 4.381 4.340 -0.000 0.000 0.211 613 L C 1.961 178.764 176.870 -0.112 0.000 1.106 613 L CA 1.264 56.074 54.840 -0.049 0.000 0.793 613 L CB -0.262 41.611 42.059 -0.311 0.000 0.927 613 L HN 0.030 nan 8.230 nan 0.000 0.446 614 A N -1.568 121.151 122.820 -0.168 0.000 1.898 614 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 614 A C 2.083 179.503 177.584 -0.273 0.000 1.183 614 A CA 1.198 53.065 52.037 -0.285 0.000 0.622 614 A CB -1.131 17.666 19.000 -0.339 0.000 0.824 614 A HN 0.568 nan 8.150 nan 0.000 0.444 615 W N -0.444 120.744 121.300 -0.187 0.000 2.342 615 W HA -0.224 4.436 4.660 -0.000 0.000 0.297 615 W C 2.570 179.025 176.519 -0.107 0.000 1.213 615 W CA 1.010 58.269 57.345 -0.143 0.000 1.251 615 W CB -0.481 28.877 29.460 -0.170 0.000 1.136 615 W HN 0.358 nan 8.180 nan 0.000 0.526 616 C N -0.721 118.643 119.300 0.107 0.000 2.429 616 C HA -0.204 4.256 4.460 -0.000 0.000 0.277 616 C C 2.542 177.351 174.990 -0.301 0.000 1.262 616 C CA 1.541 60.594 59.018 0.059 0.000 1.733 616 C CB -1.247 26.641 27.740 0.247 0.000 2.010 616 C HN 0.438 nan 8.230 nan 0.000 0.483 617 E N 0.305 120.014 120.200 -0.819 0.000 2.072 617 E HA -0.261 4.089 4.350 -0.000 0.000 0.191 617 E C 2.250 178.570 176.600 -0.467 0.000 0.985 617 E CA 1.110 56.703 56.400 -1.346 0.000 0.801 617 E CB -0.306 28.524 29.700 -1.450 0.000 0.750 617 E HN 0.666 nan 8.360 nan 0.000 0.452 618 Q N -0.542 119.102 119.800 -0.261 0.000 2.050 618 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 618 Q C 2.010 178.018 176.000 0.015 0.000 0.980 618 Q CA 1.766 57.495 55.803 -0.124 0.000 0.840 618 Q CB -0.266 28.404 28.738 -0.114 0.000 0.898 618 Q HN 0.467 nan 8.270 nan 0.000 0.424 619 Y N 0.047 120.357 120.300 0.016 0.000 2.097 619 Y HA -0.315 4.235 4.550 -0.000 0.000 0.282 619 Y C 1.994 177.969 175.900 0.124 0.000 1.152 619 Y CA 2.097 60.277 58.100 0.133 0.000 1.136 619 Y CB -0.524 38.042 38.460 0.176 0.000 0.975 619 Y HN 0.260 nan 8.280 nan 0.000 0.498 620 F N 1.337 121.428 119.950 0.235 0.000 2.120 620 F HA -0.322 4.205 4.527 -0.000 0.000 0.300 620 F C 2.009 177.855 175.800 0.077 0.000 1.095 620 F CA 2.172 60.304 58.000 0.219 0.000 1.249 620 F CB -0.525 38.626 39.000 0.252 0.000 0.995 620 F HN 0.088 nan 8.300 nan 0.000 0.480 621 N N 0.476 119.304 118.700 0.213 0.000 2.459 621 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 621 N C 1.484 176.952 175.510 -0.070 0.000 1.046 621 N CA 0.991 54.087 53.050 0.075 0.000 0.904 621 N CB -0.343 38.176 38.487 0.053 0.000 0.964 621 N HN 0.396 nan 8.380 nan 0.000 0.444 622 A N 0.317 123.068 122.820 -0.115 0.000 2.307 622 A HA 0.089 4.408 4.320 -0.000 0.000 0.218 622 A C 1.220 178.741 177.584 -0.106 0.000 1.228 622 A CA 0.146 52.082 52.037 -0.169 0.000 0.857 622 A CB -0.198 18.601 19.000 -0.336 0.000 0.897 622 A HN 0.331 nan 8.150 nan 0.000 0.495 623 T N -4.482 109.964 114.554 -0.180 0.000 2.844 623 T HA 0.421 4.771 4.350 -0.000 0.000 0.274 623 T C 0.015 174.606 174.700 -0.183 0.000 0.991 623 T CA -0.161 61.799 62.100 -0.233 0.000 0.983 623 T CB 0.941 69.582 68.868 -0.378 0.000 1.310 623 T HN -0.078 nan 8.240 nan 0.000 0.596 624 D N -0.189 120.074 120.400 -0.227 0.000 2.340 624 D HA 0.158 4.798 4.640 -0.000 0.000 0.220 624 D C 1.815 178.110 176.300 -0.007 0.000 1.039 624 D CA 0.120 54.012 54.000 -0.179 0.000 0.866 624 D CB -0.059 40.492 40.800 -0.414 0.000 0.913 624 D HN 0.293 nan 8.370 nan 0.000 0.523 625 M N 0.365 119.906 119.600 -0.099 0.000 2.106 625 M HA -0.100 4.380 4.480 -0.000 0.000 0.259 625 M C -0.784 175.455 176.300 -0.102 0.000 1.068 625 M CA 1.374 56.587 55.300 -0.144 0.000 1.100 625 M CB -2.029 30.064 32.600 -0.844 0.000 1.351 625 M HN -0.046 nan 8.290 nan 0.000 0.404 626 P HA -0.192 nan 4.420 nan 0.000 0.219 626 P C 1.085 178.401 177.300 0.027 0.000 1.144 626 P CA 1.334 64.471 63.100 0.061 0.000 0.806 626 P CB -0.235 31.489 31.700 0.041 0.000 0.771 627 K N -2.246 118.135 120.400 -0.033 0.000 2.211 627 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 627 K C 1.465 177.894 176.600 -0.285 0.000 1.050 627 K CA 1.311 57.495 56.287 -0.173 0.000 0.945 627 K CB -0.278 32.067 32.500 -0.258 0.000 0.732 627 K HN 0.338 nan 8.250 nan 0.000 0.451 628 Y N -0.309 119.995 120.300 0.007 0.000 2.558 628 Y HA 0.234 4.784 4.550 -0.000 0.000 0.273 628 Y C 0.973 176.836 175.900 -0.062 0.000 1.100 628 Y CA -0.459 57.614 58.100 -0.045 0.000 1.276 628 Y CB 0.677 39.027 38.460 -0.182 0.000 1.196 628 Y HN -0.049 nan 8.280 nan 0.000 0.527 629 M N -0.969 118.695 119.600 0.107 0.000 2.562 629 M HA 0.431 4.911 4.480 -0.000 0.000 0.281 629 M C -0.777 175.686 176.300 0.272 0.000 1.195 629 M CA -0.879 54.505 55.300 0.141 0.000 0.888 629 M CB 1.767 34.422 32.600 0.092 0.000 1.731 629 M HN -0.029 nan 8.290 nan 0.000 0.493 630 T N -1.831 112.851 114.554 0.213 0.000 2.754 630 T HA 0.149 4.499 4.350 -0.000 0.000 0.286 630 T C 0.793 175.579 174.700 0.143 0.000 0.997 630 T CA -0.387 61.857 62.100 0.240 0.000 0.982 630 T CB 1.159 70.114 68.868 0.146 0.000 1.027 630 T HN 0.933 nan 8.240 nan 0.000 0.529 631 W N 1.038 122.224 121.300 -0.190 0.000 2.333 631 W HA -0.202 4.458 4.660 -0.000 0.000 0.316 631 W C 1.240 177.659 176.519 -0.166 0.000 1.215 631 W CA 1.789 58.827 57.345 -0.511 0.000 1.278 631 W CB -0.420 28.828 29.460 -0.354 0.000 1.154 631 W HN 0.713 nan 8.180 nan 0.000 0.486 632 D N 0.359 120.686 120.400 -0.121 0.000 2.103 632 D HA -0.242 4.398 4.640 -0.000 0.000 0.190 632 D C 1.922 178.152 176.300 -0.118 0.000 0.997 632 D CA 2.255 56.154 54.000 -0.168 0.000 0.833 632 D CB -0.803 39.972 40.800 -0.042 0.000 0.961 632 D HN 0.395 nan 8.370 nan 0.000 0.447 633 E N -0.126 120.050 120.200 -0.040 0.000 2.049 633 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 633 E C 2.090 178.670 176.600 -0.034 0.000 1.007 633 E CA 0.833 57.226 56.400 -0.011 0.000 0.809 633 E CB -0.382 29.343 29.700 0.043 0.000 0.749 633 E HN 0.242 nan 8.360 nan 0.000 0.450 634 F N 1.124 120.964 119.950 -0.183 0.000 2.095 634 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 634 F C 2.103 177.734 175.800 -0.281 0.000 1.104 634 F CA 1.423 59.309 58.000 -0.190 0.000 1.232 634 F CB -0.432 38.460 39.000 -0.181 0.000 0.987 634 F HN -0.026 nan 8.300 nan 0.000 0.475 635 F N 1.179 120.715 119.950 -0.691 0.000 2.202 635 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 635 F C 2.430 177.954 175.800 -0.459 0.000 1.082 635 F CA 2.129 59.666 58.000 -0.773 0.000 1.313 635 F CB -0.513 37.916 39.000 -0.951 0.000 1.024 635 F HN 0.021 nan 8.300 nan 0.000 0.495 636 K N 0.481 120.726 120.400 -0.260 0.000 2.021 636 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 636 K C 2.320 178.762 176.600 -0.264 0.000 1.047 636 K CA 1.236 57.397 56.287 -0.210 0.000 0.943 636 K CB -0.289 32.159 32.500 -0.087 0.000 0.725 636 K HN 0.182 nan 8.250 nan 0.000 0.439 637 K N -0.669 119.575 120.400 -0.261 0.000 2.209 637 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 637 K C 1.109 177.531 176.600 -0.297 0.000 1.048 637 K CA 1.391 57.521 56.287 -0.261 0.000 0.940 637 K CB -0.063 32.290 32.500 -0.245 0.000 0.729 637 K HN 0.512 nan 8.250 nan 0.000 0.451 638 G N -0.263 108.268 108.800 -0.448 0.000 2.347 638 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.247 638 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.247 638 G C -0.001 174.770 174.900 -0.214 0.000 1.037 638 G CA 1.010 45.895 45.100 -0.358 0.000 0.622 638 G HN 0.540 nan 8.290 nan 0.000 0.521 639 Y N -2.280 117.904 120.300 -0.195 0.000 2.592 639 Y HA 0.757 5.307 4.550 -0.000 0.000 0.334 639 Y C -1.512 174.527 175.900 0.231 0.000 1.136 639 Y CA -2.569 55.544 58.100 0.021 0.000 1.042 639 Y CB 0.825 39.299 38.460 0.022 0.000 1.325 639 Y HN 0.653 nan 8.280 nan 0.000 0.457 640 F N 2.614 122.708 119.950 0.239 0.000 2.561 640 F HA 0.751 5.278 4.527 -0.000 0.000 0.313 640 F C -1.833 173.980 175.800 0.023 0.000 1.126 640 F CA -1.381 56.662 58.000 0.072 0.000 0.918 640 F CB 2.053 41.164 39.000 0.185 0.000 1.199 640 F HN 0.511 nan 8.300 nan 0.000 0.444 641 V N 6.521 125.901 119.914 -0.889 0.000 2.328 641 V HA 0.314 4.434 4.120 -0.000 0.000 0.278 641 V C -0.360 174.952 176.094 -1.304 0.000 1.021 641 V CA -0.914 60.886 62.300 -0.833 0.000 0.838 641 V CB 1.106 32.460 31.823 -0.781 0.000 0.999 641 V HN 0.590 nan 8.190 nan 0.000 0.447 642 V N 8.167 127.514 119.914 -0.945 0.000 2.529 642 V HA 0.128 4.248 4.120 -0.000 0.000 0.292 642 V C -1.667 174.083 176.094 -0.574 0.000 1.028 642 V CA -1.024 60.726 62.300 -0.916 0.000 1.074 642 V CB 0.473 31.847 31.823 -0.749 0.000 0.958 642 V HN 0.741 nan 8.190 nan 0.000 0.481 643 P HA 0.054 nan 4.420 nan 0.000 0.271 643 P C -0.546 176.701 177.300 -0.090 0.000 1.233 643 P CA -0.155 62.800 63.100 -0.241 0.000 0.795 643 P CB 0.402 32.007 31.700 -0.158 0.000 0.936 644 D N -0.028 120.376 120.400 0.007 0.000 2.253 644 D HA 0.170 4.809 4.640 -0.000 0.000 0.249 644 D C -0.447 175.897 176.300 0.072 0.000 1.049 644 D CA -0.256 53.786 54.000 0.071 0.000 0.929 644 D CB 0.187 41.062 40.800 0.125 0.000 1.176 644 D HN 0.098 nan 8.370 nan 0.000 0.437 645 N N 2.374 121.114 118.700 0.068 0.000 2.918 645 N HA 0.352 5.092 4.740 -0.000 0.000 0.270 645 N C -2.271 173.272 175.510 0.056 0.000 1.536 645 N CA -1.742 51.350 53.050 0.071 0.000 0.877 645 N CB 1.289 39.823 38.487 0.079 0.000 1.190 645 N HN 0.150 nan 8.380 nan 0.000 0.492 646 P HA -0.050 nan 4.420 nan 0.000 0.221 646 P C 0.445 177.778 177.300 0.054 0.000 1.145 646 P CA 1.030 64.170 63.100 0.066 0.000 0.795 646 P CB 0.348 32.092 31.700 0.074 0.000 0.775 647 N N -0.845 117.888 118.700 0.055 0.000 2.356 647 N HA 0.011 4.751 4.740 -0.000 0.000 0.178 647 N C 0.751 176.291 175.510 0.050 0.000 1.075 647 N CA 0.060 53.141 53.050 0.051 0.000 0.889 647 N CB -0.113 38.404 38.487 0.051 0.000 0.999 647 N HN 0.320 nan 8.380 nan 0.000 0.464 648 R N 2.545 123.077 120.500 0.052 0.000 2.698 648 R HA 0.027 4.367 4.340 -0.000 0.000 0.266 648 R C 0.268 176.601 176.300 0.054 0.000 1.026 648 R CA -0.165 55.970 56.100 0.058 0.000 1.102 648 R CB 0.292 30.633 30.300 0.068 0.000 0.978 648 R HN 0.018 nan 8.270 nan 0.000 0.436 649 K N 1.899 122.334 120.400 0.059 0.000 2.295 649 K HA 0.131 4.451 4.320 -0.000 0.000 0.270 649 K C -0.741 175.905 176.600 0.077 0.000 1.011 649 K CA -0.587 55.736 56.287 0.060 0.000 0.953 649 K CB 0.771 33.303 32.500 0.054 0.000 0.956 649 K HN 0.363 nan 8.250 nan 0.000 0.477 650 K N 2.452 122.897 120.400 0.075 0.000 2.227 650 K HA 0.160 4.480 4.320 -0.000 0.000 0.280 650 K C -0.539 176.126 176.600 0.109 0.000 1.041 650 K CA -0.496 55.848 56.287 0.095 0.000 0.905 650 K CB 1.453 33.995 32.500 0.069 0.000 1.068 650 K HN 0.888 nan 8.250 nan 0.000 0.470 651 T N -1.319 113.321 114.554 0.143 0.000 2.934 651 T HA 0.328 4.678 4.350 -0.000 0.000 0.328 651 T C -0.022 174.783 174.700 0.176 0.000 1.068 651 T CA -0.807 61.378 62.100 0.142 0.000 1.018 651 T CB 0.489 69.422 68.868 0.107 0.000 1.009 651 T HN 0.095 nan 8.240 nan 0.000 0.471 652 V N 3.446 123.453 119.914 0.155 0.000 2.555 652 V HA 0.539 4.659 4.120 -0.000 0.000 0.286 652 V C 1.353 177.553 176.094 0.176 0.000 1.044 652 V CA -0.754 61.630 62.300 0.140 0.000 1.026 652 V CB 0.361 32.235 31.823 0.086 0.000 0.981 652 V HN 1.208 nan 8.190 nan 0.000 0.480 653 A N 5.491 128.423 122.820 0.187 0.000 2.592 653 A HA 0.150 4.470 4.320 -0.000 0.000 0.250 653 A C 1.108 178.765 177.584 0.122 0.000 1.017 653 A CA 0.512 52.675 52.037 0.211 0.000 0.794 653 A CB -0.840 18.244 19.000 0.139 0.000 0.917 653 A HN 1.341 nan 8.150 nan 0.000 0.515 654 L N -0.233 121.039 121.223 0.081 0.000 4.696 654 L HA -0.297 4.043 4.340 -0.000 0.000 0.425 654 L C 1.941 178.644 176.870 -0.278 0.000 1.115 654 L CA 1.243 55.919 54.840 -0.272 0.000 0.996 654 L CB -1.356 40.661 42.059 -0.069 0.000 2.077 654 L HN 0.941 nan 8.230 nan 0.000 0.792 655 R N 1.167 121.620 120.500 -0.077 0.000 2.115 655 R HA -0.137 4.203 4.340 -0.000 0.000 0.226 655 R C 2.205 178.508 176.300 0.006 0.000 1.100 655 R CA 1.819 57.921 56.100 0.003 0.000 0.980 655 R CB -0.162 30.188 30.300 0.082 0.000 0.875 655 R HN 0.754 nan 8.270 nan 0.000 0.445 656 W N -0.396 120.975 121.300 0.119 0.000 2.374 656 W HA -0.175 4.484 4.660 -0.000 0.000 0.288 656 W C 1.356 177.946 176.519 0.119 0.000 1.218 656 W CA 0.108 57.506 57.345 0.088 0.000 1.245 656 W CB -1.107 28.394 29.460 0.069 0.000 1.126 656 W HN 0.025 nan 8.180 nan 0.000 0.545 657 F N 2.797 122.255 119.950 -0.819 0.000 2.098 657 F HA 0.106 4.632 4.527 -0.000 0.000 0.294 657 F C 2.692 178.290 175.800 -0.336 0.000 1.107 657 F CA 2.498 60.067 58.000 -0.718 0.000 1.234 657 F CB -0.948 37.400 39.000 -1.086 0.000 1.002 657 F HN -0.110 nan 8.300 nan 0.000 0.472 658 A N -0.014 122.637 122.820 -0.283 0.000 1.940 658 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 658 A C 1.967 179.410 177.584 -0.234 0.000 1.176 658 A CA 1.933 53.841 52.037 -0.214 0.000 0.631 658 A CB -0.870 18.218 19.000 0.147 0.000 0.814 658 A HN 0.592 nan 8.150 nan 0.000 0.446 659 E N -1.042 119.080 120.200 -0.130 0.000 2.476 659 E HA 0.278 4.628 4.350 -0.000 0.000 0.191 659 E C 0.801 177.346 176.600 -0.090 0.000 1.064 659 E CA 0.108 56.462 56.400 -0.077 0.000 0.866 659 E CB -0.199 29.500 29.700 -0.001 0.000 0.952 659 E HN 0.685 nan 8.360 nan 0.000 0.492 660 G N 3.004 111.702 108.800 -0.170 0.000 2.371 660 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.299 660 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.299 660 G C 0.105 175.017 174.900 0.020 0.000 1.014 660 G CA 1.130 46.157 45.100 -0.122 0.000 1.097 660 G HN 0.371 nan 8.290 nan 0.000 0.512 661 R N -1.798 118.781 120.500 0.132 0.000 3.045 661 R HA 0.745 5.085 4.340 -0.000 0.000 0.245 661 R C -0.530 175.911 176.300 0.234 0.000 1.333 661 R CA -1.141 55.046 56.100 0.146 0.000 1.036 661 R CB 0.953 31.319 30.300 0.111 0.000 1.340 661 R HN 0.087 nan 8.270 nan 0.000 0.488 662 E N 1.832 122.094 120.200 0.104 0.000 2.384 662 E HA 0.040 4.390 4.350 -0.000 0.000 0.266 662 E C -0.625 175.887 176.600 -0.148 0.000 1.012 662 E CA -0.364 56.027 56.400 -0.015 0.000 0.901 662 E CB 0.635 30.292 29.700 -0.071 0.000 0.967 662 E HN 0.223 nan 8.360 nan 0.000 0.435 663 K N 3.298 123.344 120.400 -0.590 0.000 2.491 663 K HA -0.101 4.219 4.320 -0.000 0.000 0.279 663 K C -0.441 175.769 176.600 -0.649 0.000 1.026 663 K CA 0.430 55.918 56.287 -1.332 0.000 1.070 663 K CB 0.322 31.911 32.500 -1.520 0.000 0.887 663 K HN 0.648 nan 8.250 nan 0.000 0.481 664 D N 1.568 121.674 120.400 -0.491 0.000 2.582 664 D HA 0.006 4.646 4.640 -0.000 0.000 0.246 664 D C 0.124 176.326 176.300 -0.164 0.000 1.334 664 D CA -0.368 53.505 54.000 -0.212 0.000 0.805 664 D CB -0.030 40.737 40.800 -0.055 0.000 1.087 664 D HN 0.464 nan 8.370 nan 0.000 0.499 665 T N -3.096 111.312 114.554 -0.244 0.000 2.923 665 T HA 0.526 4.876 4.350 -0.000 0.000 0.281 665 T C -2.095 172.354 174.700 -0.419 0.000 0.995 665 T CA -1.666 60.256 62.100 -0.297 0.000 0.985 665 T CB 1.821 70.524 68.868 -0.275 0.000 1.114 665 T HN -0.363 nan 8.240 nan 0.000 0.548 666 P HA 0.172 nan 4.420 nan 0.000 0.245 666 P C -0.011 177.159 177.300 -0.217 0.000 1.212 666 P CA 0.067 62.914 63.100 -0.421 0.000 0.774 666 P CB -0.108 31.364 31.700 -0.379 0.000 0.999 667 D N -1.046 119.166 120.400 -0.313 0.000 2.478 667 D HA -0.110 4.529 4.640 -0.000 0.000 0.234 667 D C 0.195 176.590 176.300 0.158 0.000 1.154 667 D CA 0.141 54.230 54.000 0.149 0.000 0.874 667 D CB 0.352 41.316 40.800 0.273 0.000 1.198 667 D HN 0.025 nan 8.370 nan 0.000 0.455 668 W N 2.131 123.298 121.300 -0.222 0.000 3.434 668 W HA 0.367 5.027 4.660 -0.000 0.000 0.297 668 W C 0.887 176.803 176.519 -1.006 0.000 1.295 668 W CA -0.170 56.885 57.345 -0.484 0.000 1.731 668 W CB -0.432 28.674 29.460 -0.591 0.000 1.070 668 W HN 0.389 nan 8.180 nan 0.000 0.726 669 G N -0.633 107.489 108.800 -1.131 0.000 2.495 669 G HA2 0.433 4.393 3.960 -0.000 0.000 0.294 669 G HA3 0.433 4.393 3.960 -0.000 0.000 0.294 669 G C -3.107 171.086 174.900 -1.179 0.000 1.397 669 G CA -1.098 42.834 45.100 -1.946 0.000 0.790 669 G HN -0.406 nan 8.290 nan 0.000 0.486 670 P HA 0.338 nan 4.420 nan 0.000 0.276 670 P C -0.470 176.483 177.300 -0.578 0.000 1.252 670 P CA -0.445 62.099 63.100 -0.927 0.000 0.802 670 P CB 1.224 32.779 31.700 -0.243 0.000 1.035 671 R N 0.542 120.799 120.500 -0.404 0.000 2.594 671 R HA 0.172 4.512 4.340 -0.000 0.000 0.272 671 R C 1.815 177.997 176.300 -0.195 0.000 1.074 671 R CA -0.441 55.503 56.100 -0.261 0.000 1.105 671 R CB 0.055 30.256 30.300 -0.165 0.000 1.008 671 R HN 0.461 nan 8.270 nan 0.000 0.472 672 L N 2.034 123.150 121.223 -0.177 0.000 2.089 672 L HA -0.320 4.019 4.340 -0.000 0.000 0.213 672 L C 1.804 178.613 176.870 -0.102 0.000 1.079 672 L CA 2.158 56.913 54.840 -0.142 0.000 0.758 672 L CB -0.765 41.214 42.059 -0.134 0.000 0.891 672 L HN 0.754 nan 8.230 nan 0.000 0.433 673 N N -0.956 117.691 118.700 -0.087 0.000 2.512 673 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 673 N C 1.033 176.515 175.510 -0.046 0.000 1.073 673 N CA 0.948 53.963 53.050 -0.058 0.000 0.911 673 N CB -0.361 38.098 38.487 -0.046 0.000 0.964 673 N HN 0.383 nan 8.380 nan 0.000 0.447 674 N N -0.883 117.782 118.700 -0.057 0.000 2.251 674 N HA 0.148 4.888 4.740 -0.000 0.000 0.217 674 N C -0.792 174.702 175.510 -0.027 0.000 1.124 674 N CA -0.171 52.858 53.050 -0.035 0.000 0.843 674 N CB 0.373 38.843 38.487 -0.029 0.000 1.024 674 N HN 0.292 nan 8.380 nan 0.000 0.501 675 Q N -0.078 119.698 119.800 -0.040 0.000 2.456 675 Q HA 0.460 4.800 4.340 -0.000 0.000 0.283 675 Q C -1.331 174.656 176.000 -0.022 0.000 1.084 675 Q CA -0.841 54.947 55.803 -0.025 0.000 0.801 675 Q CB 3.085 31.787 28.738 -0.059 0.000 1.434 675 Q HN -0.094 nan 8.270 nan 0.000 0.419 676 V N 1.141 121.054 119.914 -0.002 0.000 2.328 676 V HA 0.123 4.243 4.120 -0.000 0.000 0.278 676 V C -0.107 175.980 176.094 -0.011 0.000 1.021 676 V CA -0.438 61.859 62.300 -0.006 0.000 0.838 676 V CB 1.041 32.868 31.823 0.008 0.000 0.999 676 V HN 1.067 nan 8.190 nan 0.000 0.447 677 C N 5.684 124.968 119.300 -0.028 0.000 4.235 677 C HA -0.148 4.312 4.460 -0.000 0.000 0.301 677 C C 1.480 176.443 174.990 -0.045 0.000 1.409 677 C CA 0.860 59.856 59.018 -0.035 0.000 2.024 677 C CB -2.330 25.397 27.740 -0.021 0.000 1.286 677 C HN 1.208 nan 8.230 nan 0.000 0.746 678 R N -1.661 118.798 120.500 -0.068 0.000 3.358 678 R HA -0.247 4.093 4.340 -0.000 0.000 0.248 678 R C -0.486 175.761 176.300 -0.088 0.000 0.981 678 R CA 1.717 57.751 56.100 -0.110 0.000 0.662 678 R CB -1.590 28.615 30.300 -0.159 0.000 1.037 678 R HN 0.781 nan 8.270 nan 0.000 0.460 679 K N 0.209 120.612 120.400 0.005 0.000 2.375 679 K HA 0.670 4.989 4.320 -0.000 0.000 0.249 679 K C 0.340 177.074 176.600 0.222 0.000 0.942 679 K CA -0.257 56.106 56.287 0.127 0.000 0.806 679 K CB 2.196 34.761 32.500 0.108 0.000 1.227 679 K HN 0.423 nan 8.250 nan 0.000 0.430 680 G N 1.011 110.095 108.800 0.474 0.000 2.756 680 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.678 680 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.678 680 G C -0.604 174.548 174.900 0.420 0.000 1.349 680 G CA -0.948 44.439 45.100 0.478 0.000 0.847 680 G HN 0.403 nan 8.290 nan 0.000 0.548 681 L N -0.077 121.285 121.223 0.232 0.000 2.490 681 L HA 0.377 4.717 4.340 -0.000 0.000 0.245 681 L C 2.251 179.156 176.870 0.059 0.000 1.185 681 L CA 0.094 54.965 54.840 0.052 0.000 0.813 681 L CB 0.571 42.563 42.059 -0.110 0.000 1.233 681 L HN 0.885 nan 8.230 nan 0.000 0.489 682 Q N 0.132 119.945 119.800 0.022 0.000 2.291 682 Q HA -0.070 4.270 4.340 -0.000 0.000 0.205 682 Q C 0.505 176.526 176.000 0.035 0.000 0.970 682 Q CA 0.742 56.574 55.803 0.048 0.000 0.876 682 Q CB 0.035 28.843 28.738 0.116 0.000 0.935 682 Q HN 0.826 nan 8.270 nan 0.000 0.455 683 T N -2.152 112.427 114.554 0.042 0.000 2.903 683 T HA 0.017 4.367 4.350 -0.000 0.000 0.314 683 T C 1.038 175.760 174.700 0.037 0.000 1.078 683 T CA 0.179 62.309 62.100 0.050 0.000 1.114 683 T CB 1.087 70.001 68.868 0.076 0.000 0.987 683 T HN 0.064 nan 8.240 nan 0.000 0.548 684 T N 1.830 116.398 114.554 0.023 0.000 2.624 684 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 684 T C 2.258 176.953 174.700 -0.007 0.000 1.041 684 T CA 2.411 64.514 62.100 0.005 0.000 1.159 684 T CB -0.997 67.868 68.868 -0.005 0.000 0.863 684 T HN 1.013 nan 8.240 nan 0.000 0.434 685 T N -1.265 113.268 114.554 -0.034 0.000 3.085 685 T HA 0.305 4.655 4.350 -0.000 0.000 0.263 685 T C 1.796 176.523 174.700 0.044 0.000 1.127 685 T CA 1.092 63.168 62.100 -0.040 0.000 1.103 685 T CB -0.306 68.469 68.868 -0.155 0.000 0.921 685 T HN 0.631 nan 8.240 nan 0.000 0.510 686 G N 1.049 109.896 108.800 0.078 0.000 2.179 686 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 686 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 686 G C -0.047 174.998 174.900 0.242 0.000 0.977 686 G CA 0.443 45.630 45.100 0.144 0.000 0.641 686 G HN 0.721 nan 8.290 nan 0.000 0.533 687 K N -0.619 119.910 120.400 0.215 0.000 2.306 687 K HA 0.679 4.999 4.320 -0.000 0.000 0.236 687 K C 0.115 176.883 176.600 0.281 0.000 1.013 687 K CA -1.070 55.408 56.287 0.317 0.000 0.857 687 K CB 2.444 35.109 32.500 0.275 0.000 1.214 687 K HN -0.003 nan 8.250 nan 0.000 0.449 688 V N 2.555 122.676 119.914 0.345 0.000 2.450 688 V HA -0.019 4.101 4.120 -0.000 0.000 0.281 688 V C -0.177 176.062 176.094 0.242 0.000 1.019 688 V CA 0.387 62.821 62.300 0.225 0.000 1.062 688 V CB -0.093 31.861 31.823 0.220 0.000 0.979 688 V HN 0.618 nan 8.190 nan 0.000 0.477 689 E N 4.888 125.173 120.200 0.141 0.000 2.035 689 E HA 0.253 4.603 4.350 -0.000 0.000 0.271 689 E C -0.136 176.512 176.600 0.081 0.000 0.953 689 E CA -0.321 56.225 56.400 0.243 0.000 0.777 689 E CB 0.678 30.527 29.700 0.248 0.000 1.104 689 E HN 0.600 nan 8.360 nan 0.000 0.408 690 F N 1.545 121.500 119.950 0.007 0.000 2.451 690 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 690 F C 0.972 176.767 175.800 -0.008 0.000 1.101 690 F CA 0.608 58.526 58.000 -0.137 0.000 1.436 690 F CB 0.163 38.996 39.000 -0.278 0.000 1.074 690 F HN 0.345 nan 8.300 nan 0.000 0.553 691 I N 0.456 121.168 120.570 0.237 0.000 2.537 691 I HA 0.310 4.480 4.170 -0.000 0.000 0.276 691 I C -0.110 176.134 176.117 0.213 0.000 1.063 691 I CA -0.867 60.549 61.300 0.193 0.000 1.144 691 I CB 0.826 38.924 38.000 0.164 0.000 1.252 691 I HN -0.178 nan 8.210 nan 0.000 0.480 692 A N 3.892 126.800 122.820 0.146 0.000 2.515 692 A HA 0.173 4.492 4.320 -0.000 0.000 0.263 692 A C 1.616 179.280 177.584 0.134 0.000 1.096 692 A CA 0.373 52.492 52.037 0.136 0.000 0.769 692 A CB -0.050 19.011 19.000 0.102 0.000 1.040 692 A HN 0.854 nan 8.150 nan 0.000 0.505 693 T N 0.856 115.494 114.554 0.140 0.000 2.788 693 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 693 T C 1.958 176.717 174.700 0.098 0.000 1.044 693 T CA 1.867 64.035 62.100 0.113 0.000 1.139 693 T CB -0.783 68.127 68.868 0.070 0.000 0.867 693 T HN 0.989 nan 8.240 nan 0.000 0.454 694 S N 2.805 118.566 115.700 0.102 0.000 2.353 694 S HA -0.035 4.434 4.470 -0.000 0.000 0.222 694 S C 2.117 176.750 174.600 0.055 0.000 1.035 694 S CA 1.276 59.535 58.200 0.097 0.000 1.025 694 S CB -1.123 62.187 63.200 0.182 0.000 0.902 694 S HN 0.497 nan 8.310 nan 0.000 0.440 695 L N 1.419 122.631 121.223 -0.019 0.000 2.191 695 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 695 L C 2.868 179.811 176.870 0.122 0.000 1.103 695 L CA 1.428 56.255 54.840 -0.022 0.000 0.769 695 L CB -0.452 41.538 42.059 -0.115 0.000 0.908 695 L HN 0.392 nan 8.230 nan 0.000 0.438 696 K N 0.557 121.020 120.400 0.106 0.000 2.148 696 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 696 K C 1.700 178.372 176.600 0.120 0.000 1.050 696 K CA 1.316 57.671 56.287 0.112 0.000 0.942 696 K CB 0.025 32.590 32.500 0.109 0.000 0.724 696 K HN 0.408 nan 8.250 nan 0.000 0.446 697 N N -0.398 118.379 118.700 0.130 0.000 2.142 697 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 697 N C 1.605 177.223 175.510 0.178 0.000 1.023 697 N CA 0.860 53.988 53.050 0.129 0.000 0.852 697 N CB -0.135 38.424 38.487 0.120 0.000 0.998 697 N HN 0.061 nan 8.380 nan 0.000 0.424 698 F N 2.670 122.628 119.950 0.013 0.000 2.069 698 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 698 F C 2.329 178.188 175.800 0.099 0.000 1.113 698 F CA 1.469 59.474 58.000 0.009 0.000 1.214 698 F CB -0.357 38.592 39.000 -0.085 0.000 0.978 698 F HN 0.116 nan 8.300 nan 0.000 0.474 699 E N -0.489 119.783 120.200 0.120 0.000 2.150 699 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 699 E C 1.752 178.348 176.600 -0.007 0.000 0.985 699 E CA 1.558 57.974 56.400 0.027 0.000 0.814 699 E CB -0.778 28.969 29.700 0.078 0.000 0.752 699 E HN 0.569 nan 8.360 nan 0.000 0.466 700 E N 0.883 121.099 120.200 0.026 0.000 2.347 700 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 700 E C 1.764 178.355 176.600 -0.015 0.000 1.008 700 E CA 0.452 56.858 56.400 0.010 0.000 0.852 700 E CB 0.024 29.744 29.700 0.033 0.000 0.783 700 E HN 0.371 nan 8.360 nan 0.000 0.505 701 Q N -0.608 119.186 119.800 -0.009 0.000 2.444 701 Q HA 0.056 4.396 4.340 -0.000 0.000 0.206 701 Q C 0.995 176.888 176.000 -0.177 0.000 0.948 701 Q CA 0.512 56.303 55.803 -0.020 0.000 0.946 701 Q CB 0.786 29.585 28.738 0.103 0.000 1.027 701 Q HN 0.394 nan 8.270 nan 0.000 0.513 702 G N -0.216 108.446 108.800 -0.230 0.000 2.192 702 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.193 702 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.193 702 G C -0.408 174.175 174.900 -0.528 0.000 0.999 702 G CA -0.618 44.261 45.100 -0.369 0.000 0.659 702 G HN 0.309 nan 8.290 nan 0.000 0.503 703 Y N 1.958 121.950 120.300 -0.512 0.000 2.724 703 Y HA 0.504 5.053 4.550 -0.000 0.000 0.332 703 Y C 0.861 176.616 175.900 -0.242 0.000 1.276 703 Y CA -1.086 56.616 58.100 -0.665 0.000 1.597 703 Y CB 0.202 37.484 38.460 -1.963 0.000 1.584 703 Y HN 0.045 nan 8.280 nan 0.000 0.478 704 I N 2.664 123.276 120.570 0.070 0.000 2.471 704 I HA 0.054 4.224 4.170 -0.000 0.000 0.286 704 I C 0.046 176.317 176.117 0.256 0.000 1.079 704 I CA -0.027 61.349 61.300 0.128 0.000 1.398 704 I CB 0.848 38.881 38.000 0.056 0.000 1.403 704 I HN 0.472 nan 8.210 nan 0.000 0.530 705 D N 5.523 126.074 120.400 0.252 0.000 2.346 705 D HA 0.087 4.727 4.640 -0.000 0.000 0.255 705 D C 0.914 177.316 176.300 0.170 0.000 1.276 705 D CA -0.331 53.822 54.000 0.254 0.000 0.941 705 D CB 0.832 41.880 40.800 0.413 0.000 1.199 705 D HN 0.636 nan 8.370 nan 0.000 0.537 706 E N 1.611 121.877 120.200 0.111 0.000 2.147 706 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 706 E C 0.262 176.814 176.600 -0.080 0.000 1.005 706 E CA 1.424 57.822 56.400 -0.003 0.000 0.810 706 E CB 0.109 29.772 29.700 -0.063 0.000 0.736 706 E HN 0.526 nan 8.360 nan 0.000 0.460 707 H N -0.981 118.145 119.070 0.092 0.000 2.555 707 H HA 0.246 4.802 4.556 -0.000 0.000 0.283 707 H C 0.161 175.571 175.328 0.138 0.000 1.037 707 H CA 0.390 56.514 56.048 0.127 0.000 1.169 707 H CB 0.253 30.106 29.762 0.152 0.000 1.375 707 H HN -0.089 nan 8.280 nan 0.000 0.582 708 R N 1.331 121.949 120.500 0.197 0.000 2.797 708 R HA 0.133 4.473 4.340 -0.000 0.000 0.230 708 R C -3.235 173.151 176.300 0.143 0.000 1.591 708 R CA -1.385 54.822 56.100 0.178 0.000 1.501 708 R CB 0.716 31.139 30.300 0.205 0.000 1.524 708 R HN 0.123 nan 8.270 nan 0.000 0.711 709 P HA 0.089 nan 4.420 nan 0.000 0.274 709 P C 0.578 177.927 177.300 0.082 0.000 1.237 709 P CA -0.103 63.048 63.100 0.085 0.000 0.793 709 P CB 1.507 33.234 31.700 0.046 0.000 0.977 710 S N 1.882 117.628 115.700 0.077 0.000 2.382 710 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 710 S C 1.194 175.850 174.600 0.093 0.000 1.027 710 S CA 0.662 58.907 58.200 0.075 0.000 0.991 710 S CB -0.569 62.683 63.200 0.086 0.000 0.823 710 S HN 0.594 nan 8.310 nan 0.000 0.469 711 M N 2.532 122.189 119.600 0.095 0.000 2.233 711 M HA 0.268 4.747 4.480 -0.000 0.000 0.355 711 M C -0.347 176.063 176.300 0.183 0.000 1.191 711 M CA -0.612 54.771 55.300 0.138 0.000 1.101 711 M CB 0.830 33.492 32.600 0.103 0.000 1.592 711 M HN 0.333 nan 8.290 nan 0.000 0.461 712 H N 4.112 123.270 119.070 0.148 0.000 3.026 712 H HA 0.333 4.889 4.556 -0.000 0.000 0.289 712 H C -0.988 174.651 175.328 0.518 0.000 1.022 712 H CA 0.634 56.816 56.048 0.223 0.000 1.477 712 H CB 0.188 29.968 29.762 0.030 0.000 1.510 712 H HN 0.747 nan 8.280 nan 0.000 0.535 713 T N 1.606 116.324 114.554 0.274 0.000 2.804 713 T HA 0.185 4.535 4.350 -0.000 0.000 0.290 713 T C -0.873 174.070 174.700 0.404 0.000 1.099 713 T CA -1.001 61.164 62.100 0.109 0.000 1.011 713 T CB 0.577 69.204 68.868 -0.401 0.000 1.291 713 T HN 0.479 nan 8.240 nan 0.000 0.523 714 Y N 1.710 122.066 120.300 0.094 0.000 2.691 714 Y HA 0.531 5.081 4.550 -0.000 0.000 0.338 714 Y C -0.656 175.377 175.900 0.223 0.000 1.148 714 Y CA -0.967 57.258 58.100 0.207 0.000 1.430 714 Y CB -0.307 38.090 38.460 -0.104 0.000 1.303 714 Y HN 0.507 nan 8.280 nan 0.000 0.499 715 V N 8.818 128.730 119.914 -0.004 0.000 2.385 715 V HA 0.250 4.370 4.120 -0.000 0.000 0.269 715 V C -2.037 173.934 176.094 -0.205 0.000 1.043 715 V CA -2.065 60.197 62.300 -0.063 0.000 0.906 715 V CB 0.717 32.568 31.823 0.046 0.000 0.995 715 V HN 0.661 nan 8.190 nan 0.000 0.467 716 P HA 0.123 nan 4.420 nan 0.000 0.264 716 P C -0.082 177.191 177.300 -0.045 0.000 1.193 716 P CA 0.142 62.988 63.100 -0.424 0.000 0.763 716 P CB 0.472 31.781 31.700 -0.652 0.000 0.810 717 A N 5.270 128.102 122.820 0.020 0.000 2.548 717 A HA -0.001 4.319 4.320 -0.000 0.000 0.247 717 A C 1.347 178.957 177.584 0.045 0.000 1.067 717 A CA -0.433 51.603 52.037 -0.002 0.000 0.757 717 A CB -0.380 18.565 19.000 -0.091 0.000 0.996 717 A HN 0.812 nan 8.150 nan 0.000 0.504 718 W N 1.781 123.163 121.300 0.137 0.000 2.468 718 W HA -0.006 4.654 4.660 -0.000 0.000 0.262 718 W C 0.165 176.735 176.519 0.086 0.000 1.241 718 W CA 0.804 58.215 57.345 0.110 0.000 1.232 718 W CB -0.323 29.130 29.460 -0.011 0.000 1.124 718 W HN 0.732 nan 8.180 nan 0.000 0.597 719 E N 2.134 122.205 120.200 -0.214 0.000 3.167 719 E HA 0.212 4.562 4.350 -0.000 0.000 0.212 719 E C -0.554 175.968 176.600 -0.130 0.000 1.143 719 E CA -0.197 56.115 56.400 -0.146 0.000 1.002 719 E CB 0.272 29.730 29.700 -0.403 0.000 1.315 719 E HN 0.069 nan 8.360 nan 0.000 0.422 720 S N 1.003 116.706 115.700 0.005 0.000 2.671 720 S HA 0.315 4.785 4.470 -0.000 0.000 0.299 720 S C 0.873 175.487 174.600 0.023 0.000 1.116 720 S CA -0.791 57.419 58.200 0.016 0.000 0.912 720 S CB 1.580 64.856 63.200 0.127 0.000 1.130 720 S HN 0.339 nan 8.310 nan 0.000 0.501 721 Q N 0.761 120.551 119.800 -0.016 0.000 2.083 721 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 721 Q C 1.697 177.650 176.000 -0.079 0.000 0.969 721 Q CA 1.477 57.257 55.803 -0.038 0.000 0.838 721 Q CB -0.286 28.421 28.738 -0.051 0.000 0.900 721 Q HN 0.870 nan 8.270 nan 0.000 0.436 722 K N -0.972 119.319 120.400 -0.182 0.000 2.367 722 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 722 K C 1.005 177.367 176.600 -0.397 0.000 1.027 722 K CA 0.533 56.633 56.287 -0.313 0.000 1.075 722 K CB 0.370 32.614 32.500 -0.426 0.000 0.845 722 K HN 0.201 nan 8.250 nan 0.000 0.529 723 H N 0.007 119.111 119.070 0.057 0.000 2.695 723 H HA 0.132 4.688 4.556 -0.000 0.000 0.267 723 H C 0.257 175.647 175.328 0.102 0.000 0.973 723 H CA 0.016 56.117 56.048 0.089 0.000 1.223 723 H CB 0.599 30.429 29.762 0.114 0.000 1.442 723 H HN 0.112 nan 8.280 nan 0.000 0.478 724 S N 2.149 117.966 115.700 0.194 0.000 2.548 724 S HA 0.106 4.576 4.470 -0.000 0.000 0.277 724 S C -1.595 173.077 174.600 0.120 0.000 1.315 724 S CA -1.295 57.010 58.200 0.175 0.000 1.050 724 S CB 1.276 64.576 63.200 0.168 0.000 0.918 724 S HN -0.041 nan 8.310 nan 0.000 0.497 725 P HA -0.015 nan 4.420 nan 0.000 0.222 725 P C 1.185 178.525 177.300 0.068 0.000 1.147 725 P CA 0.270 63.419 63.100 0.082 0.000 0.790 725 P CB 0.149 31.900 31.700 0.084 0.000 0.780 726 L N -0.444 120.842 121.223 0.104 0.000 2.217 726 L HA 0.049 4.389 4.340 -0.000 0.000 0.211 726 L C 2.058 178.981 176.870 0.089 0.000 1.107 726 L CA 1.133 56.050 54.840 0.129 0.000 0.783 726 L CB -1.540 40.645 42.059 0.209 0.000 0.919 726 L HN -0.117 nan 8.230 nan 0.000 0.442 727 A N -1.659 121.201 122.820 0.067 0.000 2.248 727 A HA -0.039 4.281 4.320 -0.000 0.000 0.210 727 A C 2.048 179.616 177.584 -0.026 0.000 1.174 727 A CA 1.131 53.188 52.037 0.032 0.000 0.750 727 A CB -0.600 18.412 19.000 0.020 0.000 0.780 727 A HN 0.240 nan 8.150 nan 0.000 0.478 728 V N -0.853 119.029 119.914 -0.053 0.000 2.951 728 V HA -0.074 4.046 4.120 -0.000 0.000 0.255 728 V C 2.181 178.185 176.094 -0.149 0.000 1.088 728 V CA 1.806 64.059 62.300 -0.077 0.000 1.109 728 V CB -0.304 31.485 31.823 -0.056 0.000 0.724 728 V HN 0.527 nan 8.190 nan 0.000 0.471 729 K N -0.895 119.332 120.400 -0.288 0.000 2.262 729 K HA 0.151 4.471 4.320 -0.000 0.000 0.200 729 K C -0.123 176.125 176.600 -0.587 0.000 1.058 729 K CA 0.392 56.350 56.287 -0.548 0.000 0.974 729 K CB 0.417 32.314 32.500 -1.004 0.000 0.910 729 K HN 0.417 nan 8.250 nan 0.000 0.484 730 Y N 1.668 121.945 120.300 -0.039 0.000 2.944 730 Y HA 0.215 4.765 4.550 -0.000 0.000 0.335 730 Y C -1.962 173.896 175.900 -0.070 0.000 1.075 730 Y CA -2.926 55.121 58.100 -0.088 0.000 1.240 730 Y CB 0.639 39.036 38.460 -0.104 0.000 1.167 730 Y HN 0.069 nan 8.280 nan 0.000 0.555 731 P HA -0.112 nan 4.420 nan 0.000 0.226 731 P C 0.038 177.336 177.300 -0.003 0.000 1.153 731 P CA 0.950 64.050 63.100 -0.000 0.000 0.777 731 P CB 0.809 32.499 31.700 -0.018 0.000 0.794 732 L N 0.275 121.498 121.223 -0.000 0.000 2.276 732 L HA 0.444 4.784 4.340 -0.000 0.000 0.286 732 L C 1.049 177.904 176.870 -0.024 0.000 1.061 732 L CA -0.745 54.084 54.840 -0.018 0.000 0.807 732 L CB 1.175 43.216 42.059 -0.030 0.000 1.177 732 L HN -0.111 nan 8.230 nan 0.000 0.429 733 G N 4.502 113.286 108.800 -0.026 0.000 2.350 733 G HA2 0.450 4.409 3.960 -0.000 0.000 0.306 733 G HA3 0.450 4.409 3.960 -0.000 0.000 0.306 733 G C -0.507 174.373 174.900 -0.034 0.000 1.094 733 G CA -0.462 44.617 45.100 -0.034 0.000 0.953 733 G HN 0.573 nan 8.290 nan 0.000 0.420 734 M N 4.203 123.773 119.600 -0.051 0.000 2.238 734 M HA 0.683 5.163 4.480 -0.000 0.000 0.350 734 M C -0.771 175.493 176.300 -0.060 0.000 1.138 734 M CA -0.972 54.295 55.300 -0.055 0.000 1.040 734 M CB 1.409 33.965 32.600 -0.074 0.000 1.639 734 M HN 0.450 nan 8.290 nan 0.000 0.451 735 L N 3.204 124.390 121.223 -0.061 0.000 2.346 735 L HA 0.813 5.153 4.340 -0.000 0.000 0.276 735 L C -0.969 175.800 176.870 -0.169 0.000 1.006 735 L CA -0.534 54.266 54.840 -0.067 0.000 0.817 735 L CB 2.144 44.205 42.059 0.004 0.000 1.272 735 L HN 0.770 nan 8.230 nan 0.000 0.421 736 S N 1.600 117.231 115.700 -0.115 0.000 2.130 736 S HA 0.573 5.043 4.470 -0.000 0.000 0.165 736 S C -2.600 172.022 174.600 0.037 0.000 1.677 736 S CA -1.138 57.001 58.200 -0.101 0.000 1.227 736 S CB 0.358 63.539 63.200 -0.032 0.000 1.115 736 S HN 0.552 nan 8.310 nan 0.000 0.452 737 P HA 0.193 nan 4.420 nan 0.000 0.282 737 P C -0.134 177.404 177.300 0.396 0.000 1.286 737 P CA -0.416 62.811 63.100 0.211 0.000 0.777 737 P CB 0.270 32.140 31.700 0.283 0.000 1.184 738 H N 0.366 119.491 119.070 0.092 0.000 2.732 738 H HA 0.115 4.670 4.556 -0.000 0.000 0.351 738 H C -1.624 173.505 175.328 -0.331 0.000 1.090 738 H CA -1.801 54.188 56.048 -0.098 0.000 1.431 738 H CB -0.175 29.439 29.762 -0.246 0.000 1.447 738 H HN 0.336 nan 8.280 nan 0.000 0.582 739 P HA -0.076 nan 4.420 nan 0.000 0.262 739 P C 0.490 177.456 177.300 -0.558 0.000 1.199 739 P CA 0.008 62.844 63.100 -0.441 0.000 0.763 739 P CB 1.002 32.700 31.700 -0.004 0.000 0.790 740 R N 4.420 124.384 120.500 -0.893 0.000 2.081 740 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 740 R C 0.869 176.743 176.300 -0.709 0.000 1.131 740 R CA 1.820 57.435 56.100 -0.808 0.000 0.960 740 R CB -0.991 28.668 30.300 -1.069 0.000 0.856 740 R HN 0.419 nan 8.270 nan 0.000 0.436 741 F N 0.028 119.907 119.950 -0.119 0.000 2.837 741 F HA 0.461 4.988 4.527 -0.000 0.000 0.298 741 F C -0.093 175.685 175.800 -0.037 0.000 1.161 741 F CA -0.272 57.680 58.000 -0.081 0.000 1.353 741 F CB 0.522 39.390 39.000 -0.220 0.000 0.951 741 F HN -0.033 nan 8.300 nan 0.000 0.508 742 S N 0.757 116.518 115.700 0.102 0.000 2.558 742 S HA 0.373 4.842 4.470 -0.000 0.000 0.277 742 S C -1.098 173.181 174.600 -0.537 0.000 1.143 742 S CA -0.719 57.422 58.200 -0.099 0.000 0.865 742 S CB 1.058 64.236 63.200 -0.036 0.000 1.102 742 S HN 0.057 nan 8.310 nan 0.000 0.454 743 M N 5.781 124.822 119.600 -0.932 0.000 2.974 743 M HA 0.314 4.794 4.480 -0.000 0.000 0.301 743 M C 0.398 176.463 176.300 -0.391 0.000 1.409 743 M CA 0.892 55.669 55.300 -0.873 0.000 1.515 743 M CB -1.994 30.092 32.600 -0.857 0.000 1.163 743 M HN 0.937 nan 8.290 nan 0.000 0.520 744 H N -0.042 118.843 119.070 -0.309 0.000 1.452 744 H HA -0.240 4.316 4.556 -0.000 0.000 0.090 744 H C 1.109 176.361 175.328 -0.127 0.000 0.789 744 H CA 2.282 58.205 56.048 -0.209 0.000 1.901 744 H CB -1.380 28.264 29.762 -0.198 0.000 2.257 744 H HN 0.586 nan 8.280 nan 0.000 0.961 745 T N 0.264 114.851 114.554 0.056 0.000 3.160 745 T HA 0.167 4.517 4.350 -0.000 0.000 0.257 745 T C 1.323 175.980 174.700 -0.071 0.000 1.147 745 T CA 0.940 63.026 62.100 -0.024 0.000 1.064 745 T CB -0.211 68.628 68.868 -0.048 0.000 0.949 745 T HN 0.267 nan 8.240 nan 0.000 0.526 746 M N 1.920 121.486 119.600 -0.056 0.000 3.561 746 M HA 0.459 4.939 4.480 -0.000 0.000 0.230 746 M C 1.239 177.471 176.300 -0.114 0.000 1.387 746 M CA -0.166 55.091 55.300 -0.072 0.000 1.570 746 M CB 0.187 32.821 32.600 0.055 0.000 1.057 746 M HN 0.570 nan 8.290 nan 0.000 0.607 747 G N -0.070 108.624 108.800 -0.178 0.000 4.204 747 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.198 747 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.198 747 G C -0.249 174.563 174.900 -0.146 0.000 0.964 747 G CA -0.595 44.425 45.100 -0.133 0.000 0.914 747 G HN 0.477 nan 8.290 nan 0.000 0.317 748 D N 0.975 121.362 120.400 -0.022 0.000 2.364 748 D HA 0.440 5.080 4.640 -0.000 0.000 0.236 748 D C 1.472 177.743 176.300 -0.048 0.000 1.221 748 D CA 2.206 56.291 54.000 0.142 0.000 0.891 748 D CB 0.344 41.341 40.800 0.327 0.000 1.190 748 D HN 1.229 nan 8.370 nan 0.000 0.449 749 G N 1.650 110.443 108.800 -0.011 0.000 2.578 749 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.284 749 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.284 749 G C 0.189 174.960 174.900 -0.215 0.000 1.283 749 G CA 0.666 45.698 45.100 -0.114 0.000 0.944 749 G HN 0.938 nan 8.290 nan 0.000 0.558 750 K N -1.240 119.028 120.400 -0.220 0.000 3.274 750 K HA -0.347 3.973 4.320 -0.000 0.000 0.305 750 K C 0.740 177.228 176.600 -0.187 0.000 1.225 750 K CA 1.376 57.497 56.287 -0.277 0.000 0.904 750 K CB -1.624 30.478 32.500 -0.664 0.000 1.227 750 K HN 1.917 nan 8.250 nan 0.000 0.453 751 N N 0.048 118.657 118.700 -0.152 0.000 2.735 751 N HA -0.202 4.537 4.740 -0.000 0.000 0.248 751 N C -0.036 175.391 175.510 -0.138 0.000 1.083 751 N CA 1.075 54.052 53.050 -0.122 0.000 0.703 751 N CB -0.720 37.744 38.487 -0.039 0.000 1.005 751 N HN 0.652 nan 8.380 nan 0.000 0.550 752 S N -1.378 114.193 115.700 -0.214 0.000 2.640 752 S HA 0.246 4.715 4.470 -0.000 0.000 0.262 752 S C 1.223 175.770 174.600 -0.089 0.000 1.232 752 S CA -0.215 57.836 58.200 -0.247 0.000 0.988 752 S CB 0.300 63.318 63.200 -0.304 0.000 1.034 752 S HN 0.166 nan 8.310 nan 0.000 0.569 753 Y N -0.235 120.023 120.300 -0.071 0.000 2.337 753 Y HA 0.127 4.676 4.550 -0.000 0.000 0.293 753 Y C 2.382 178.250 175.900 -0.053 0.000 1.123 753 Y CA 0.197 58.320 58.100 0.039 0.000 1.201 753 Y CB -1.312 37.187 38.460 0.065 0.000 1.011 753 Y HN 0.440 nan 8.280 nan 0.000 0.545 754 M N 0.049 119.661 119.600 0.019 0.000 2.346 754 M HA -0.178 4.301 4.480 -0.000 0.000 0.263 754 M C 1.321 177.525 176.300 -0.161 0.000 1.064 754 M CA 1.096 56.326 55.300 -0.117 0.000 1.083 754 M CB -0.643 31.841 32.600 -0.193 0.000 1.399 754 M HN 0.105 nan 8.290 nan 0.000 0.435 755 N N -0.950 117.633 118.700 -0.195 0.000 2.571 755 N HA -0.066 4.674 4.740 -0.000 0.000 0.189 755 N C 0.502 175.777 175.510 -0.392 0.000 1.154 755 N CA 0.902 53.819 53.050 -0.222 0.000 0.907 755 N CB 0.036 38.290 38.487 -0.389 0.000 0.977 755 N HN 0.545 nan 8.380 nan 0.000 0.449 756 Y N -0.185 120.107 120.300 -0.013 0.000 2.445 756 Y HA 0.342 4.892 4.550 -0.000 0.000 0.247 756 Y C 0.812 176.648 175.900 -0.107 0.000 1.129 756 Y CA -0.580 57.489 58.100 -0.052 0.000 1.251 756 Y CB 0.738 39.163 38.460 -0.058 0.000 1.176 756 Y HN -0.116 nan 8.280 nan 0.000 0.522 757 I N 1.818 122.345 120.570 -0.072 0.000 2.668 757 I HA -0.121 4.049 4.170 -0.000 0.000 0.285 757 I C 1.159 177.154 176.117 -0.203 0.000 1.168 757 I CA 0.400 61.541 61.300 -0.266 0.000 1.424 757 I CB 1.029 38.626 38.000 -0.672 0.000 1.377 757 I HN 0.271 nan 8.210 nan 0.000 0.560 758 K N 3.394 123.695 120.400 -0.164 0.000 2.015 758 K HA -0.237 4.083 4.320 -0.000 0.000 0.216 758 K C 1.071 177.628 176.600 -0.072 0.000 1.052 758 K CA 1.788 58.023 56.287 -0.087 0.000 0.937 758 K CB -0.098 32.366 32.500 -0.061 0.000 0.719 758 K HN 0.584 nan 8.250 nan 0.000 0.446 759 D N -0.659 119.694 120.400 -0.078 0.000 2.413 759 D HA -0.039 4.601 4.640 -0.000 0.000 0.237 759 D C 0.849 177.260 176.300 0.184 0.000 1.171 759 D CA 0.366 54.417 54.000 0.086 0.000 0.839 759 D CB 0.124 41.086 40.800 0.270 0.000 0.950 759 D HN 0.265 nan 8.370 nan 0.000 0.499 760 H N -0.547 118.448 119.070 -0.125 0.000 2.408 760 H HA 0.408 4.963 4.556 -0.000 0.000 0.271 760 H C -0.152 175.028 175.328 -0.246 0.000 0.957 760 H CA 0.467 56.442 56.048 -0.121 0.000 1.170 760 H CB 0.670 30.331 29.762 -0.169 0.000 1.458 760 H HN -0.171 nan 8.280 nan 0.000 0.491 761 R N 0.335 120.681 120.500 -0.255 0.000 2.535 761 R HA 0.437 4.777 4.340 -0.000 0.000 0.274 761 R C -1.811 174.447 176.300 -0.070 0.000 1.090 761 R CA -0.760 55.205 56.100 -0.226 0.000 0.930 761 R CB 2.992 33.159 30.300 -0.222 0.000 1.223 761 R HN -0.036 nan 8.270 nan 0.000 0.441 762 V N 2.247 122.163 119.914 0.003 0.000 2.394 762 V HA 0.255 4.375 4.120 -0.000 0.000 0.282 762 V C 0.221 176.398 176.094 0.139 0.000 1.031 762 V CA -0.604 61.732 62.300 0.061 0.000 0.881 762 V CB 1.492 33.355 31.823 0.067 0.000 0.982 762 V HN 0.693 nan 8.190 nan 0.000 0.451 763 E N 3.499 123.767 120.200 0.114 0.000 2.283 763 E HA 0.572 4.922 4.350 -0.000 0.000 0.278 763 E C -1.517 175.206 176.600 0.204 0.000 1.027 763 E CA -0.324 56.162 56.400 0.143 0.000 0.843 763 E CB 1.545 31.302 29.700 0.095 0.000 1.062 763 E HN 0.498 nan 8.360 nan 0.000 0.401 764 V N 5.090 125.188 119.914 0.306 0.000 2.624 764 V HA 0.124 4.244 4.120 -0.000 0.000 0.294 764 V C -0.859 175.431 176.094 0.326 0.000 1.077 764 V CA -0.722 61.758 62.300 0.299 0.000 0.905 764 V CB 1.705 33.720 31.823 0.321 0.000 1.025 764 V HN 0.962 nan 8.190 nan 0.000 0.440 765 D N 3.946 124.470 120.400 0.207 0.000 2.835 765 D HA -0.176 4.464 4.640 -0.000 0.000 0.230 765 D C 1.271 177.678 176.300 0.179 0.000 1.130 765 D CA 1.574 55.681 54.000 0.179 0.000 0.738 765 D CB -0.930 39.991 40.800 0.201 0.000 1.090 765 D HN 1.531 nan 8.370 nan 0.000 0.433 766 G N -0.198 108.692 108.800 0.150 0.000 2.184 766 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.264 766 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.264 766 G C -0.047 174.929 174.900 0.127 0.000 0.975 766 G CA 0.709 45.883 45.100 0.122 0.000 0.642 766 G HN 0.569 nan 8.290 nan 0.000 0.536 767 Y N 1.538 121.837 120.300 -0.002 0.000 2.331 767 Y HA 0.574 5.124 4.550 -0.000 0.000 0.334 767 Y C 0.232 175.993 175.900 -0.232 0.000 0.960 767 Y CA -1.160 56.840 58.100 -0.168 0.000 1.130 767 Y CB 1.047 39.315 38.460 -0.319 0.000 1.164 767 Y HN 0.079 nan 8.280 nan 0.000 0.458 768 K N 6.690 126.775 120.400 -0.526 0.000 2.310 768 K HA 0.161 4.481 4.320 -0.000 0.000 0.290 768 K C -1.378 175.042 176.600 -0.300 0.000 1.077 768 K CA -0.126 55.991 56.287 -0.284 0.000 0.922 768 K CB 0.482 32.828 32.500 -0.257 0.000 1.057 768 K HN 0.536 nan 8.250 nan 0.000 0.479 769 Y N 1.209 121.561 120.300 0.086 0.000 2.335 769 Y HA 0.112 4.662 4.550 -0.000 0.000 0.323 769 Y C 0.534 176.505 175.900 0.119 0.000 1.224 769 Y CA -0.773 57.438 58.100 0.186 0.000 1.241 769 Y CB 0.724 39.310 38.460 0.210 0.000 1.235 769 Y HN 0.554 nan 8.280 nan 0.000 0.492 770 W N 4.584 125.980 121.300 0.160 0.000 2.216 770 W HA 0.295 4.954 4.660 -0.000 0.000 0.326 770 W C -0.979 175.575 176.519 0.058 0.000 1.319 770 W CA -0.601 56.766 57.345 0.036 0.000 1.213 770 W CB 0.476 29.953 29.460 0.029 0.000 1.171 770 W HN 0.420 nan 8.180 nan 0.000 0.557 771 I N 7.370 127.724 120.570 -0.361 0.000 2.395 771 I HA 0.172 4.342 4.170 -0.000 0.000 0.289 771 I C 0.404 176.454 176.117 -0.111 0.000 1.023 771 I CA -0.266 60.916 61.300 -0.197 0.000 1.350 771 I CB 1.261 39.122 38.000 -0.231 0.000 1.409 771 I HN 0.255 nan 8.210 nan 0.000 0.507 772 M N 6.852 126.440 119.600 -0.021 0.000 2.253 772 M HA 0.464 4.944 4.480 -0.000 0.000 0.314 772 M C -1.031 175.244 176.300 -0.041 0.000 1.019 772 M CA -0.520 54.777 55.300 -0.004 0.000 0.932 772 M CB 1.333 33.951 32.600 0.029 0.000 1.606 772 M HN 0.499 nan 8.290 nan 0.000 0.430 773 R N 3.013 123.471 120.500 -0.070 0.000 2.357 773 R HA 0.701 5.041 4.340 -0.000 0.000 0.296 773 R C -1.214 175.044 176.300 -0.069 0.000 1.052 773 R CA -0.635 55.401 56.100 -0.108 0.000 0.988 773 R CB 1.437 31.590 30.300 -0.246 0.000 1.025 773 R HN 0.530 nan 8.270 nan 0.000 0.469 774 V N 2.494 122.375 119.914 -0.054 0.000 2.808 774 V HA 0.163 4.283 4.120 -0.000 0.000 0.308 774 V C -0.404 175.678 176.094 -0.020 0.000 1.099 774 V CA -1.168 61.115 62.300 -0.028 0.000 0.920 774 V CB 2.018 33.832 31.823 -0.015 0.000 1.014 774 V HN 0.764 nan 8.190 nan 0.000 0.425 775 N N 2.372 121.069 118.700 -0.006 0.000 2.497 775 N HA 0.016 4.755 4.740 -0.000 0.000 0.268 775 N C 1.495 177.008 175.510 0.004 0.000 1.171 775 N CA 0.753 53.807 53.050 0.007 0.000 0.948 775 N CB 1.761 40.259 38.487 0.019 0.000 1.069 775 N HN 0.871 nan 8.380 nan 0.000 0.460 776 S N 5.140 120.844 115.700 0.006 0.000 2.390 776 S HA -0.274 4.196 4.470 -0.000 0.000 0.234 776 S C 2.050 176.652 174.600 0.005 0.000 1.063 776 S CA 1.441 59.644 58.200 0.005 0.000 1.108 776 S CB -0.751 62.453 63.200 0.007 0.000 0.975 776 S HN 0.705 nan 8.310 nan 0.000 0.442 777 I N 2.723 123.296 120.570 0.004 0.000 2.185 777 I HA -0.237 3.933 4.170 -0.000 0.000 0.246 777 I C 2.192 178.310 176.117 0.001 0.000 1.088 777 I CA 1.981 63.282 61.300 0.001 0.000 1.347 777 I CB -0.600 37.399 38.000 -0.002 0.000 1.041 777 I HN 0.363 nan 8.210 nan 0.000 0.415 778 D N 0.706 121.107 120.400 0.001 0.000 2.234 778 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 778 D C 2.191 178.495 176.300 0.007 0.000 0.962 778 D CA 1.234 55.235 54.000 0.002 0.000 0.855 778 D CB 0.056 40.855 40.800 -0.001 0.000 0.951 778 D HN 0.367 nan 8.370 nan 0.000 0.500 779 A N 1.700 124.524 122.820 0.006 0.000 1.825 779 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 779 A C 2.146 179.738 177.584 0.012 0.000 1.206 779 A CA 1.299 53.341 52.037 0.010 0.000 0.609 779 A CB -0.558 18.446 19.000 0.006 0.000 0.851 779 A HN 0.027 nan 8.150 nan 0.000 0.445 780 E N 0.706 120.912 120.200 0.009 0.000 2.086 780 E HA -0.261 4.089 4.350 -0.000 0.000 0.205 780 E C 2.135 178.741 176.600 0.011 0.000 1.027 780 E CA 1.931 58.337 56.400 0.009 0.000 0.830 780 E CB -0.614 29.090 29.700 0.006 0.000 0.751 780 E HN 0.445 nan 8.360 nan 0.000 0.456 781 A N 0.910 123.736 122.820 0.010 0.000 2.032 781 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 781 A C 2.111 179.706 177.584 0.017 0.000 1.165 781 A CA 1.676 53.719 52.037 0.011 0.000 0.645 781 A CB -0.390 18.615 19.000 0.007 0.000 0.807 781 A HN 0.262 nan 8.150 nan 0.000 0.453 782 R N -1.708 118.805 120.500 0.022 0.000 2.432 782 R HA 0.287 4.627 4.340 -0.000 0.000 0.260 782 R C 0.858 177.178 176.300 0.034 0.000 0.935 782 R CA 0.384 56.504 56.100 0.033 0.000 1.080 782 R CB 0.168 30.491 30.300 0.039 0.000 1.155 782 R HN 0.601 nan 8.270 nan 0.000 0.531 783 G N 2.243 111.058 108.800 0.025 0.000 2.298 783 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.287 783 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.287 783 G C -0.101 174.815 174.900 0.027 0.000 1.075 783 G CA 0.008 45.123 45.100 0.024 0.000 0.960 783 G HN 0.264 nan 8.290 nan 0.000 0.502 784 I N -0.289 120.295 120.570 0.024 0.000 2.433 784 I HA 0.431 4.600 4.170 -0.000 0.000 0.292 784 I C 0.268 176.395 176.117 0.017 0.000 1.001 784 I CA -0.762 60.553 61.300 0.025 0.000 1.119 784 I CB 1.826 39.842 38.000 0.027 0.000 1.289 784 I HN 0.002 nan 8.210 nan 0.000 0.438 785 K N 4.246 124.656 120.400 0.016 0.000 2.259 785 K HA 0.288 4.608 4.320 -0.000 0.000 0.252 785 K C -0.277 176.329 176.600 0.010 0.000 0.936 785 K CA -0.842 55.451 56.287 0.011 0.000 0.810 785 K CB 1.798 34.305 32.500 0.011 0.000 1.143 785 K HN 0.497 nan 8.250 nan 0.000 0.427 786 N N 1.177 119.881 118.700 0.006 0.000 2.355 786 N HA -0.107 4.633 4.740 -0.000 0.000 0.282 786 N C 0.378 175.893 175.510 0.008 0.000 1.374 786 N CA 0.642 53.694 53.050 0.003 0.000 0.929 786 N CB -0.006 38.481 38.487 -0.000 0.000 1.278 786 N HN 0.864 nan 8.380 nan 0.000 0.491 787 G N 2.533 111.339 108.800 0.010 0.000 2.367 787 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.181 787 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.181 787 G C -0.426 174.484 174.900 0.017 0.000 1.000 787 G CA -0.563 44.548 45.100 0.018 0.000 0.693 787 G HN 0.561 nan 8.290 nan 0.000 0.480 788 D N 0.874 121.282 120.400 0.014 0.000 2.339 788 D HA 0.393 5.033 4.640 -0.000 0.000 0.245 788 D C 0.800 177.100 176.300 -0.000 0.000 1.115 788 D CA -0.011 53.998 54.000 0.015 0.000 0.917 788 D CB 1.252 42.068 40.800 0.026 0.000 1.192 788 D HN 0.192 nan 8.370 nan 0.000 0.428 789 L N 2.939 124.161 121.223 -0.002 0.000 2.325 789 L HA 0.282 4.622 4.340 -0.000 0.000 0.284 789 L C 0.654 177.576 176.870 0.087 0.000 1.089 789 L CA -0.342 54.477 54.840 -0.035 0.000 0.836 789 L CB -0.192 41.862 42.059 -0.008 0.000 1.184 789 L HN 0.193 nan 8.230 nan 0.000 0.444 790 I N 1.151 121.742 120.570 0.034 0.000 2.947 790 I HA 0.631 4.800 4.170 -0.000 0.000 0.314 790 I C -0.263 175.869 176.117 0.024 0.000 1.028 790 I CA -0.985 60.360 61.300 0.075 0.000 1.077 790 I CB 1.882 39.910 38.000 0.047 0.000 1.274 790 I HN 0.595 nan 8.210 nan 0.000 0.485 791 R N 3.067 123.605 120.500 0.062 0.000 2.439 791 R HA 0.741 5.081 4.340 -0.000 0.000 0.310 791 R C -1.435 174.916 176.300 0.085 0.000 0.955 791 R CA -0.529 55.562 56.100 -0.014 0.000 0.853 791 R CB 1.737 32.023 30.300 -0.022 0.000 1.171 791 R HN 0.962 nan 8.270 nan 0.000 0.449 792 A N 4.530 127.362 122.820 0.019 0.000 2.292 792 A HA 0.612 4.932 4.320 -0.000 0.000 0.319 792 A C -1.380 176.210 177.584 0.011 0.000 1.206 792 A CA -0.533 51.493 52.037 -0.019 0.000 0.835 792 A CB 0.467 19.430 19.000 -0.062 0.000 1.164 792 A HN 0.816 nan 8.150 nan 0.000 0.505 793 Y N 0.468 120.676 120.300 -0.153 0.000 2.764 793 Y HA 0.768 5.317 4.550 -0.000 0.000 0.331 793 Y C -0.684 175.006 175.900 -0.350 0.000 1.280 793 Y CA -0.942 57.035 58.100 -0.204 0.000 1.065 793 Y CB 1.019 39.393 38.460 -0.144 0.000 1.319 793 Y HN 0.859 nan 8.280 nan 0.000 0.453 794 N N -2.336 116.215 118.700 -0.247 0.000 3.427 794 N HA 0.156 4.896 4.740 -0.000 0.000 0.313 794 N C -0.908 174.555 175.510 -0.078 0.000 1.491 794 N CA -0.297 52.280 53.050 -0.788 0.000 0.870 794 N CB 0.035 37.905 38.487 -1.028 0.000 1.763 794 N HN 0.544 nan 8.380 nan 0.000 0.502 795 D N -0.431 119.969 120.400 0.001 0.000 2.309 795 D HA -0.054 4.586 4.640 -0.000 0.000 0.212 795 D C 1.032 177.445 176.300 0.189 0.000 0.968 795 D CA 0.948 55.077 54.000 0.215 0.000 0.882 795 D CB 0.014 40.942 40.800 0.213 0.000 0.918 795 D HN 0.421 nan 8.370 nan 0.000 0.503 796 R N -0.018 120.491 120.500 0.015 0.000 2.161 796 R HA 0.280 4.620 4.340 -0.000 0.000 0.213 796 R C 1.296 177.402 176.300 -0.325 0.000 1.055 796 R CA 0.637 56.696 56.100 -0.068 0.000 0.996 796 R CB 0.542 30.783 30.300 -0.098 0.000 0.901 796 R HN 0.107 nan 8.270 nan 0.000 0.456 797 G N -1.290 107.166 108.800 -0.573 0.000 2.327 797 G HA2 0.205 4.165 3.960 -0.000 0.000 0.291 797 G HA3 0.205 4.165 3.960 -0.000 0.000 0.291 797 G C -1.412 173.108 174.900 -0.633 0.000 1.290 797 G CA -0.778 43.531 45.100 -1.318 0.000 0.857 797 G HN -0.011 nan 8.290 nan 0.000 0.520 798 S N -1.646 113.770 115.700 -0.472 0.000 2.570 798 S HA 0.822 5.292 4.470 -0.000 0.000 0.286 798 S C -0.912 173.595 174.600 -0.155 0.000 1.099 798 S CA -0.573 57.531 58.200 -0.160 0.000 0.913 798 S CB 2.072 65.207 63.200 -0.109 0.000 1.085 798 S HN 1.118 nan 8.310 nan 0.000 0.480 799 V N 2.881 122.715 119.914 -0.134 0.000 2.668 799 V HA 0.459 4.579 4.120 -0.000 0.000 0.304 799 V C -1.250 174.747 176.094 -0.162 0.000 1.071 799 V CA -0.627 61.595 62.300 -0.130 0.000 0.894 799 V CB 1.704 33.472 31.823 -0.093 0.000 1.008 799 V HN 0.747 nan 8.190 nan 0.000 0.425 800 I N 6.078 126.513 120.570 -0.225 0.000 2.342 800 I HA 0.524 4.694 4.170 -0.000 0.000 0.291 800 I C -0.013 176.072 176.117 -0.054 0.000 1.010 800 I CA 0.453 61.566 61.300 -0.312 0.000 1.308 800 I CB 0.814 38.423 38.000 -0.652 0.000 1.400 800 I HN 0.400 nan 8.210 nan 0.000 0.488 801 L N 4.641 125.830 121.223 -0.058 0.000 2.322 801 L HA 0.853 5.192 4.340 -0.000 0.000 0.252 801 L C -0.405 176.447 176.870 -0.031 0.000 1.055 801 L CA -1.251 53.627 54.840 0.063 0.000 0.849 801 L CB 1.766 43.893 42.059 0.113 0.000 1.446 801 L HN 0.526 nan 8.230 nan 0.000 0.416 802 A N 0.965 123.809 122.820 0.039 0.000 2.280 802 A HA 0.758 5.078 4.320 -0.000 0.000 0.320 802 A C 0.088 177.677 177.584 0.007 0.000 1.366 802 A CA -0.411 51.629 52.037 0.004 0.000 0.938 802 A CB 0.639 19.680 19.000 0.068 0.000 1.157 802 A HN 0.702 nan 8.150 nan 0.000 0.536 803 A N 2.474 125.294 122.820 -0.000 0.000 2.511 803 A HA 0.422 4.742 4.320 -0.000 0.000 0.242 803 A C 0.362 177.940 177.584 -0.010 0.000 1.069 803 A CA 0.153 52.189 52.037 -0.003 0.000 0.763 803 A CB 0.087 19.090 19.000 0.004 0.000 1.001 803 A HN 0.850 nan 8.150 nan 0.000 0.498 804 Q N 2.989 122.774 119.800 -0.024 0.000 2.454 804 Q HA 0.464 4.804 4.340 -0.000 0.000 0.255 804 Q C -1.363 174.616 176.000 -0.035 0.000 1.034 804 Q CA -0.513 55.271 55.803 -0.031 0.000 0.736 804 Q CB 1.108 29.817 28.738 -0.048 0.000 1.210 804 Q HN 0.581 nan 8.270 nan 0.000 0.500 805 V N 3.258 123.160 119.914 -0.021 0.000 2.572 805 V HA 0.303 4.423 4.120 -0.000 0.000 0.291 805 V C 0.460 176.540 176.094 -0.024 0.000 1.039 805 V CA 0.412 62.701 62.300 -0.018 0.000 1.055 805 V CB 1.119 32.938 31.823 -0.007 0.000 0.969 805 V HN 0.842 nan 8.190 nan 0.000 0.482 806 T N 2.457 116.996 114.554 -0.025 0.000 2.731 806 T HA 0.368 4.717 4.350 -0.000 0.000 0.300 806 T C -0.004 174.697 174.700 0.001 0.000 1.283 806 T CA -0.487 61.599 62.100 -0.025 0.000 1.005 806 T CB 2.099 70.932 68.868 -0.059 0.000 1.420 806 T HN 0.626 nan 8.240 nan 0.000 0.503 807 E N 0.240 120.448 120.200 0.014 0.000 2.490 807 E HA 0.183 4.532 4.350 -0.000 0.000 0.209 807 E C 1.309 177.994 176.600 0.141 0.000 0.971 807 E CA 0.207 56.648 56.400 0.068 0.000 0.988 807 E CB -0.001 29.737 29.700 0.063 0.000 1.029 807 E HN 0.617 nan 8.360 nan 0.000 0.496 808 C N 1.678 121.002 119.300 0.039 0.000 2.477 808 C HA 0.230 4.689 4.460 -0.000 0.000 0.321 808 C C 0.920 176.064 174.990 0.257 0.000 1.369 808 C CA 0.116 59.109 59.018 -0.040 0.000 1.607 808 C CB -1.945 25.689 27.740 -0.175 0.000 1.632 808 C HN 0.141 nan 8.230 nan 0.000 0.597 809 L N -0.431 121.003 121.223 0.351 0.000 2.469 809 L HA 0.374 4.714 4.340 -0.000 0.000 0.256 809 L C -0.440 176.550 176.870 0.199 0.000 1.006 809 L CA -0.435 54.584 54.840 0.299 0.000 0.832 809 L CB 1.671 43.792 42.059 0.104 0.000 1.421 809 L HN 0.052 nan 8.230 nan 0.000 0.410 810 Q N 2.255 122.114 119.800 0.099 0.000 2.261 810 Q HA 0.349 4.689 4.340 -0.000 0.000 0.252 810 Q C -2.371 173.630 176.000 0.002 0.000 0.915 810 Q CA -1.618 54.185 55.803 -0.001 0.000 0.915 810 Q CB 1.577 30.273 28.738 -0.070 0.000 1.204 810 Q HN 0.198 nan 8.270 nan 0.000 0.421 811 P HA -0.080 nan 4.420 nan 0.000 0.257 811 P C 0.095 177.383 177.300 -0.019 0.000 1.162 811 P CA 1.665 64.758 63.100 -0.011 0.000 0.762 811 P CB 0.280 31.969 31.700 -0.020 0.000 0.753 812 G N 1.764 110.556 108.800 -0.013 0.000 2.218 812 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 812 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 812 G C 0.082 174.974 174.900 -0.014 0.000 0.994 812 G CA -0.177 44.912 45.100 -0.018 0.000 0.637 812 G HN 0.570 nan 8.290 nan 0.000 0.505 813 T N 1.464 116.016 114.554 -0.002 0.000 2.770 813 T HA 0.635 4.985 4.350 -0.000 0.000 0.283 813 T C 0.175 174.883 174.700 0.013 0.000 0.988 813 T CA 0.150 62.255 62.100 0.009 0.000 0.957 813 T CB 2.273 71.160 68.868 0.033 0.000 0.930 813 T HN 1.338 nan 8.240 nan 0.000 0.443 814 V N 0.918 120.833 119.914 0.003 0.000 2.769 814 V HA 0.696 4.816 4.120 -0.000 0.000 0.312 814 V C -0.626 175.479 176.094 0.019 0.000 1.058 814 V CA -0.821 61.478 62.300 -0.002 0.000 0.952 814 V CB 1.869 33.678 31.823 -0.023 0.000 1.019 814 V HN 0.949 nan 8.190 nan 0.000 0.445 815 H N 2.608 121.593 119.070 -0.142 0.000 2.823 815 H HA 0.651 5.207 4.556 -0.000 0.000 0.332 815 H C -1.545 173.644 175.328 -0.232 0.000 0.980 815 H CA 0.023 55.951 56.048 -0.201 0.000 1.286 815 H CB 1.834 31.387 29.762 -0.347 0.000 1.541 815 H HN 0.924 nan 8.280 nan 0.000 0.521 816 S N 5.820 121.323 115.700 -0.327 0.000 2.736 816 S HA 0.337 4.807 4.470 -0.000 0.000 0.285 816 S C -1.007 173.572 174.600 -0.034 0.000 1.163 816 S CA -0.501 57.634 58.200 -0.109 0.000 1.025 816 S CB 0.322 63.582 63.200 0.100 0.000 1.030 816 S HN 0.534 nan 8.310 nan 0.000 0.486 817 Y N 2.799 123.228 120.300 0.216 0.000 2.757 817 Y HA 0.088 4.638 4.550 -0.000 0.000 0.344 817 Y C 1.340 177.511 175.900 0.451 0.000 1.263 817 Y CA 0.254 58.553 58.100 0.332 0.000 1.493 817 Y CB 0.538 39.250 38.460 0.420 0.000 1.342 817 Y HN 0.775 nan 8.280 nan 0.000 0.627 818 E N -1.354 119.108 120.200 0.438 0.000 2.664 818 E HA 0.546 4.896 4.350 -0.000 0.000 0.245 818 E C -0.079 176.580 176.600 0.098 0.000 1.016 818 E CA -0.345 56.143 56.400 0.147 0.000 0.963 818 E CB 0.967 30.722 29.700 0.091 0.000 1.360 818 E HN 0.469 nan 8.360 nan 0.000 0.472 819 S N -2.400 113.274 115.700 -0.043 0.000 3.018 819 S HA -0.255 4.215 4.470 -0.000 0.000 0.274 819 S C 0.391 174.893 174.600 -0.164 0.000 1.300 819 S CA 0.527 58.705 58.200 -0.038 0.000 1.179 819 S CB -2.726 60.541 63.200 0.112 0.000 1.427 819 S HN 0.888 nan 8.310 nan 0.000 0.668 820 C N 2.722 121.738 119.300 -0.474 0.000 2.334 820 C HA 0.364 4.824 4.460 -0.000 0.000 0.395 820 C C 1.927 176.742 174.990 -0.291 0.000 1.507 820 C CA 0.476 59.079 59.018 -0.692 0.000 1.494 820 C CB -0.619 26.480 27.740 -1.069 0.000 2.509 820 C HN 0.832 nan 8.230 nan 0.000 0.599 821 A N 4.921 127.648 122.820 -0.156 0.000 2.169 821 A HA 0.289 4.609 4.320 -0.000 0.000 0.212 821 A C 0.679 178.210 177.584 -0.089 0.000 1.153 821 A CA 0.634 52.606 52.037 -0.109 0.000 0.756 821 A CB -0.112 18.827 19.000 -0.101 0.000 0.813 821 A HN 0.900 nan 8.150 nan 0.000 0.471 822 V N 0.160 120.024 119.914 -0.084 0.000 2.370 822 V HA 0.309 4.429 4.120 -0.000 0.000 0.283 822 V C -0.770 175.341 176.094 0.029 0.000 1.023 822 V CA -0.613 61.670 62.300 -0.029 0.000 0.857 822 V CB 0.737 32.551 31.823 -0.015 0.000 0.985 822 V HN 0.356 nan 8.190 nan 0.000 0.443 823 Y N 4.274 124.527 120.300 -0.079 0.000 2.356 823 Y HA 0.662 5.211 4.550 -0.000 0.000 0.334 823 Y C -0.594 175.290 175.900 -0.026 0.000 0.958 823 Y CA -1.487 56.581 58.100 -0.055 0.000 1.196 823 Y CB 1.456 39.897 38.460 -0.031 0.000 1.137 823 Y HN 0.766 nan 8.280 nan 0.000 0.485 824 D N 9.242 129.370 120.400 -0.453 0.000 2.364 824 D HA 0.300 4.940 4.640 -0.000 0.000 0.251 824 D C -3.238 172.817 176.300 -0.409 0.000 1.282 824 D CA -1.931 51.834 54.000 -0.392 0.000 0.927 824 D CB 1.621 42.354 40.800 -0.111 0.000 1.267 824 D HN 0.216 nan 8.370 nan 0.000 0.531 825 P HA 0.127 nan 4.420 nan 0.000 0.276 825 P C 0.869 178.086 177.300 -0.137 0.000 1.230 825 P CA -0.436 62.491 63.100 -0.288 0.000 0.776 825 P CB 1.611 33.159 31.700 -0.253 0.000 0.888 826 L N 1.275 122.468 121.223 -0.050 0.000 2.478 826 L HA 0.142 4.482 4.340 -0.000 0.000 0.223 826 L C 1.538 178.428 176.870 0.035 0.000 1.140 826 L CA 0.842 55.688 54.840 0.010 0.000 0.842 826 L CB -0.458 41.654 42.059 0.087 0.000 0.953 826 L HN 0.562 nan 8.230 nan 0.000 0.452 827 G N -1.396 107.426 108.800 0.037 0.000 3.183 827 G HA2 0.258 4.218 3.960 -0.000 0.000 0.247 827 G HA3 0.258 4.218 3.960 -0.000 0.000 0.247 827 G C -0.798 174.132 174.900 0.050 0.000 1.211 827 G CA -0.318 44.813 45.100 0.052 0.000 0.835 827 G HN -0.174 nan 8.290 nan 0.000 0.604 828 T N 1.692 116.290 114.554 0.074 0.000 2.908 828 T HA 0.414 4.763 4.350 -0.000 0.000 0.301 828 T C 0.892 175.675 174.700 0.139 0.000 1.019 828 T CA 0.582 62.736 62.100 0.090 0.000 1.152 828 T CB 0.527 69.454 68.868 0.098 0.000 0.966 828 T HN 0.975 nan 8.240 nan 0.000 0.540 829 A N 3.086 126.000 122.820 0.157 0.000 2.584 829 A HA 0.441 4.761 4.320 -0.000 0.000 0.239 829 A C 1.697 179.493 177.584 0.354 0.000 1.043 829 A CA 0.189 52.411 52.037 0.307 0.000 0.756 829 A CB -0.806 18.409 19.000 0.359 0.000 0.963 829 A HN 1.764 nan 8.150 nan 0.000 0.511 830 G N 1.723 110.780 108.800 0.429 0.000 2.187 830 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.261 830 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.261 830 G C 0.535 175.568 174.900 0.221 0.000 1.000 830 G CA 1.089 46.353 45.100 0.273 0.000 0.718 830 G HN 0.898 nan 8.290 nan 0.000 0.519 831 K N -0.722 119.823 120.400 0.242 0.000 2.582 831 K HA 0.299 4.619 4.320 -0.000 0.000 0.204 831 K C 0.444 177.236 176.600 0.321 0.000 1.221 831 K CA 0.630 57.072 56.287 0.257 0.000 1.048 831 K CB 0.912 33.523 32.500 0.184 0.000 1.011 831 K HN 0.646 nan 8.250 nan 0.000 0.597 832 S N -0.968 114.916 115.700 0.307 0.000 2.656 832 S HA 0.673 5.143 4.470 -0.000 0.000 0.273 832 S C -0.723 174.015 174.600 0.230 0.000 1.168 832 S CA -1.017 57.375 58.200 0.319 0.000 0.817 832 S CB 1.440 64.759 63.200 0.198 0.000 1.146 832 S HN 0.070 nan 8.310 nan 0.000 0.475 833 A N 0.479 123.434 122.820 0.226 0.000 2.498 833 A HA 0.498 4.818 4.320 -0.000 0.000 0.239 833 A C -0.049 177.531 177.584 -0.006 0.000 1.068 833 A CA 0.299 52.385 52.037 0.080 0.000 0.766 833 A CB -0.610 18.441 19.000 0.085 0.000 1.003 833 A HN 0.886 nan 8.150 nan 0.000 0.497 834 D N -0.434 119.934 120.400 -0.054 0.000 2.198 834 D HA 0.506 5.146 4.640 -0.000 0.000 0.247 834 D C 0.873 177.110 176.300 -0.105 0.000 1.010 834 D CA -0.633 53.320 54.000 -0.079 0.000 0.880 834 D CB 0.967 41.773 40.800 0.010 0.000 1.209 834 D HN 0.509 nan 8.370 nan 0.000 0.451 835 R N 1.705 122.146 120.500 -0.097 0.000 2.476 835 R HA 0.312 4.652 4.340 -0.000 0.000 0.276 835 R C 1.403 177.777 176.300 0.123 0.000 0.941 835 R CA -0.119 55.968 56.100 -0.021 0.000 1.088 835 R CB 0.222 30.441 30.300 -0.135 0.000 1.216 835 R HN 0.402 nan 8.270 nan 0.000 0.533 836 G N 1.238 110.073 108.800 0.059 0.000 2.418 836 G HA2 0.068 4.028 3.960 -0.000 0.000 0.217 836 G HA3 0.068 4.028 3.960 -0.000 0.000 0.217 836 G C 1.076 176.008 174.900 0.053 0.000 1.158 836 G CA 0.940 46.095 45.100 0.091 0.000 0.771 836 G HN 0.631 nan 8.290 nan 0.000 0.545 837 G N -2.312 106.467 108.800 -0.035 0.000 2.157 837 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.118 837 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.118 837 G C 0.134 174.731 174.900 -0.505 0.000 1.032 837 G CA -0.167 44.818 45.100 -0.192 0.000 0.697 837 G HN 0.525 nan 8.290 nan 0.000 0.495 838 C N 2.234 121.372 119.300 -0.269 0.000 2.645 838 C HA 0.225 4.685 4.460 -0.000 0.000 0.451 838 C C 2.287 177.140 174.990 -0.229 0.000 1.018 838 C CA -0.466 58.394 59.018 -0.263 0.000 1.180 838 C CB -1.837 25.838 27.740 -0.108 0.000 1.563 838 C HN 0.496 nan 8.230 nan 0.000 0.551 839 I N 2.582 122.983 120.570 -0.281 0.000 2.399 839 I HA -0.150 4.020 4.170 -0.000 0.000 0.254 839 I C 2.031 178.065 176.117 -0.138 0.000 1.146 839 I CA 1.497 62.699 61.300 -0.164 0.000 1.412 839 I CB -0.584 37.359 38.000 -0.096 0.000 1.076 839 I HN 0.606 nan 8.210 nan 0.000 0.432 840 N N 0.657 119.263 118.700 -0.156 0.000 2.571 840 N HA 0.006 4.746 4.740 -0.000 0.000 0.189 840 N C 1.730 177.156 175.510 -0.140 0.000 1.154 840 N CA 0.387 53.354 53.050 -0.138 0.000 0.907 840 N CB 0.120 38.514 38.487 -0.154 0.000 0.977 840 N HN 0.433 nan 8.380 nan 0.000 0.449 841 I N 0.077 120.560 120.570 -0.146 0.000 2.546 841 I HA -0.158 4.012 4.170 -0.000 0.000 0.255 841 I C 1.597 177.622 176.117 -0.153 0.000 1.163 841 I CA 0.777 61.989 61.300 -0.147 0.000 1.457 841 I CB 0.143 38.055 38.000 -0.146 0.000 1.092 841 I HN 0.078 nan 8.210 nan 0.000 0.434 842 L N -0.256 120.879 121.223 -0.148 0.000 2.354 842 L HA 0.051 4.391 4.340 -0.000 0.000 0.212 842 L C 1.326 178.125 176.870 -0.118 0.000 1.091 842 L CA 0.047 54.794 54.840 -0.154 0.000 0.828 842 L CB -0.731 41.229 42.059 -0.165 0.000 0.973 842 L HN 0.255 nan 8.230 nan 0.000 0.461 843 T N -0.716 113.782 114.554 -0.093 0.000 2.932 843 T HA 0.138 4.488 4.350 -0.000 0.000 0.312 843 T C -2.322 172.365 174.700 -0.022 0.000 1.071 843 T CA -1.325 60.740 62.100 -0.059 0.000 1.128 843 T CB 0.302 69.139 68.868 -0.052 0.000 0.984 843 T HN -0.058 nan 8.240 nan 0.000 0.549 844 P HA 0.222 nan 4.420 nan 0.000 0.276 844 P C -0.184 177.180 177.300 0.107 0.000 1.230 844 P CA -0.294 62.875 63.100 0.114 0.000 0.776 844 P CB 0.829 32.691 31.700 0.270 0.000 0.888 845 D N 1.888 122.316 120.400 0.046 0.000 2.349 845 D HA -0.006 4.634 4.640 -0.000 0.000 0.214 845 D C 0.776 177.023 176.300 -0.090 0.000 1.063 845 D CA -0.006 53.977 54.000 -0.028 0.000 0.847 845 D CB -0.247 40.501 40.800 -0.088 0.000 0.933 845 D HN 0.316 nan 8.370 nan 0.000 0.513 846 R N 0.646 121.125 120.500 -0.035 0.000 2.489 846 R HA 0.054 4.394 4.340 -0.000 0.000 0.287 846 R C -0.419 175.857 176.300 -0.040 0.000 1.053 846 R CA -0.425 55.555 56.100 -0.199 0.000 1.036 846 R CB 0.097 30.107 30.300 -0.484 0.000 0.966 846 R HN 0.028 nan 8.270 nan 0.000 0.432 847 Y N 3.791 124.021 120.300 -0.116 0.000 2.788 847 Y HA -0.152 4.398 4.550 -0.000 0.000 0.341 847 Y C 1.938 177.842 175.900 0.007 0.000 1.258 847 Y CA -0.412 57.648 58.100 -0.067 0.000 1.503 847 Y CB 0.523 38.906 38.460 -0.129 0.000 1.325 847 Y HN 0.601 nan 8.280 nan 0.000 0.614 848 I N 1.025 121.768 120.570 0.289 0.000 2.315 848 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 848 I C 0.997 177.289 176.117 0.290 0.000 1.125 848 I CA 1.589 63.107 61.300 0.363 0.000 1.392 848 I CB -0.407 37.710 38.000 0.195 0.000 1.065 848 I HN 0.563 nan 8.210 nan 0.000 0.424 849 S N -1.491 114.246 115.700 0.061 0.000 2.672 849 S HA 0.247 4.717 4.470 -0.000 0.000 0.271 849 S C 0.422 174.963 174.600 -0.098 0.000 1.171 849 S CA -0.878 57.329 58.200 0.012 0.000 0.817 849 S CB 1.774 65.046 63.200 0.121 0.000 1.150 849 S HN 0.025 nan 8.310 nan 0.000 0.478 850 K N -0.599 119.719 120.400 -0.136 0.000 2.097 850 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 850 K C 0.741 177.062 176.600 -0.465 0.000 1.049 850 K CA 1.819 57.901 56.287 -0.341 0.000 0.933 850 K CB -0.310 31.883 32.500 -0.512 0.000 0.717 850 K HN 0.701 nan 8.250 nan 0.000 0.442 851 Y N -1.148 119.179 120.300 0.045 0.000 2.430 851 Y HA 0.359 4.908 4.550 -0.000 0.000 0.248 851 Y C 0.339 176.100 175.900 -0.231 0.000 1.108 851 Y CA -0.302 57.809 58.100 0.018 0.000 1.264 851 Y CB 0.662 39.277 38.460 0.258 0.000 1.172 851 Y HN -0.041 nan 8.280 nan 0.000 0.520 852 A N 0.086 122.777 122.820 -0.216 0.000 2.807 852 A HA 0.314 4.634 4.320 -0.000 0.000 0.307 852 A C -0.107 176.715 177.584 -1.271 0.000 1.532 852 A CA -0.389 51.252 52.037 -0.659 0.000 1.215 852 A CB -1.209 17.684 19.000 -0.180 0.000 1.127 852 A HN 0.460 nan 8.150 nan 0.000 0.543 853 C N 3.070 121.212 119.300 -1.930 0.000 3.424 853 C HA 0.474 4.934 4.460 -0.000 0.000 0.577 853 C C 1.425 175.815 174.990 -0.999 0.000 1.086 853 C CA -0.104 57.773 59.018 -1.902 0.000 1.153 853 C CB -1.980 24.883 27.740 -1.462 0.000 1.411 853 C HN 0.861 nan 8.230 nan 0.000 0.636 854 G N 1.122 109.553 108.800 -0.615 0.000 2.788 854 G HA2 0.724 4.683 3.960 -0.000 0.000 0.293 854 G HA3 0.724 4.683 3.960 -0.000 0.000 0.293 854 G C -0.563 174.479 174.900 0.237 0.000 1.305 854 G CA -0.836 44.317 45.100 0.089 0.000 1.005 854 G HN 0.530 nan 8.290 nan 0.000 0.496 855 M N -0.105 119.646 119.600 0.251 0.000 2.277 855 M HA 0.704 5.184 4.480 -0.000 0.000 0.350 855 M C 0.019 176.426 176.300 0.179 0.000 1.180 855 M CA -0.696 54.725 55.300 0.202 0.000 1.103 855 M CB 2.115 34.797 32.600 0.136 0.000 1.577 855 M HN 0.460 nan 8.290 nan 0.000 0.459 856 A N 2.901 125.826 122.820 0.175 0.000 2.701 856 A HA 0.289 4.609 4.320 -0.000 0.000 0.297 856 A C 0.422 178.017 177.584 0.019 0.000 1.197 856 A CA -0.649 51.450 52.037 0.103 0.000 0.963 856 A CB -0.771 18.308 19.000 0.132 0.000 1.175 856 A HN 1.014 nan 8.150 nan 0.000 0.531 857 N N 1.446 120.166 118.700 0.033 0.000 2.091 857 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 857 N C 0.976 176.468 175.510 -0.029 0.000 1.021 857 N CA 1.645 54.694 53.050 -0.000 0.000 0.862 857 N CB -0.292 38.199 38.487 0.006 0.000 1.018 857 N HN 0.466 nan 8.380 nan 0.000 0.429 858 N N 0.196 118.884 118.700 -0.021 0.000 2.627 858 N HA -0.040 4.700 4.740 -0.000 0.000 0.196 858 N C -0.364 175.114 175.510 -0.053 0.000 1.268 858 N CA 0.693 53.726 53.050 -0.029 0.000 0.904 858 N CB -0.251 38.228 38.487 -0.013 0.000 1.016 858 N HN 0.414 nan 8.380 nan 0.000 0.448 859 T N -2.093 112.401 114.554 -0.100 0.000 3.038 859 T HA 0.716 5.066 4.350 -0.000 0.000 0.344 859 T C -0.604 174.003 174.700 -0.154 0.000 1.054 859 T CA -0.915 61.091 62.100 -0.156 0.000 1.092 859 T CB 1.413 70.122 68.868 -0.265 0.000 1.031 859 T HN 0.070 nan 8.240 nan 0.000 0.482 860 A N 4.000 126.756 122.820 -0.107 0.000 2.398 860 A HA 0.777 5.097 4.320 -0.000 0.000 0.301 860 A C -0.728 176.809 177.584 -0.079 0.000 1.041 860 A CA -0.909 51.074 52.037 -0.090 0.000 0.711 860 A CB 1.262 20.209 19.000 -0.089 0.000 1.240 860 A HN 0.859 nan 8.150 nan 0.000 0.420 861 L N 3.208 124.395 121.223 -0.059 0.000 2.275 861 L HA 0.672 5.011 4.340 -0.000 0.000 0.288 861 L C 0.084 176.890 176.870 -0.107 0.000 1.046 861 L CA -0.617 54.209 54.840 -0.024 0.000 0.805 861 L CB 1.373 43.475 42.059 0.072 0.000 1.193 861 L HN 0.708 nan 8.230 nan 0.000 0.426 862 V N 0.335 120.183 119.914 -0.110 0.000 3.156 862 V HA 0.782 4.902 4.120 -0.000 0.000 0.310 862 V C -1.278 174.725 176.094 -0.150 0.000 1.234 862 V CA -0.745 61.397 62.300 -0.263 0.000 1.065 862 V CB 2.277 33.939 31.823 -0.268 0.000 1.088 862 V HN 0.678 nan 8.190 nan 0.000 0.451 863 E N 0.788 120.774 120.200 -0.356 0.000 2.292 863 E HA 0.726 5.076 4.350 -0.000 0.000 0.272 863 E C -1.073 175.315 176.600 -0.353 0.000 0.881 863 E CA -0.570 55.654 56.400 -0.294 0.000 0.754 863 E CB 1.800 31.334 29.700 -0.278 0.000 1.201 863 E HN 1.084 nan 8.360 nan 0.000 0.425 864 I N 0.658 121.172 120.570 -0.093 0.000 2.569 864 I HA 0.771 4.941 4.170 -0.000 0.000 0.296 864 I C -0.850 175.332 176.117 0.110 0.000 1.028 864 I CA -0.765 60.544 61.300 0.017 0.000 1.082 864 I CB 1.950 39.951 38.000 0.001 0.000 1.264 864 I HN 0.618 nan 8.210 nan 0.000 0.429 865 E N 3.979 124.282 120.200 0.172 0.000 2.413 865 E HA 0.447 4.796 4.350 -0.000 0.000 0.277 865 E C -1.591 175.109 176.600 0.167 0.000 0.958 865 E CA -1.257 55.246 56.400 0.172 0.000 0.779 865 E CB 1.766 31.601 29.700 0.225 0.000 1.278 865 E HN 0.523 nan 8.360 nan 0.000 0.456 866 K N 1.154 121.640 120.400 0.143 0.000 2.451 866 K HA -0.006 4.314 4.320 -0.000 0.000 0.280 866 K C -0.684 176.060 176.600 0.240 0.000 1.020 866 K CA -0.203 56.174 56.287 0.150 0.000 1.008 866 K CB 0.411 32.970 32.500 0.097 0.000 0.917 866 K HN 0.470 nan 8.250 nan 0.000 0.478 867 W N 5.480 126.803 121.300 0.038 0.000 2.368 867 W HA -0.022 4.638 4.660 -0.000 0.000 0.316 867 W C 0.676 177.233 176.519 0.063 0.000 1.375 867 W CA -0.603 56.782 57.345 0.067 0.000 1.261 867 W CB 0.210 29.692 29.460 0.037 0.000 1.298 867 W HN 0.695 nan 8.180 nan 0.000 0.539 868 D N 2.805 123.197 120.400 -0.013 0.000 2.317 868 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 868 D C 1.600 177.525 176.300 -0.624 0.000 0.966 868 D CA 0.979 54.843 54.000 -0.226 0.000 0.876 868 D CB -0.264 40.507 40.800 -0.048 0.000 0.927 868 D HN 0.720 nan 8.370 nan 0.000 0.519 869 G N 0.137 108.045 108.800 -1.486 0.000 2.184 869 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.206 869 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.206 869 G C -0.216 174.360 174.900 -0.541 0.000 0.995 869 G CA 0.061 44.213 45.100 -1.580 0.000 0.651 869 G HN 0.580 nan 8.290 nan 0.000 0.511 870 D N 0.644 120.967 120.400 -0.129 0.000 2.344 870 D HA 0.449 5.089 4.640 -0.000 0.000 0.244 870 D C 1.723 178.192 176.300 0.282 0.000 1.134 870 D CA 0.043 53.983 54.000 -0.101 0.000 0.930 870 D CB 0.732 41.144 40.800 -0.646 0.000 1.175 870 D HN 0.405 nan 8.370 nan 0.000 0.437 871 K N 1.396 121.867 120.400 0.117 0.000 2.379 871 K HA -0.007 4.313 4.320 -0.000 0.000 0.194 871 K C -0.095 176.680 176.600 0.291 0.000 1.031 871 K CA -0.165 56.270 56.287 0.247 0.000 1.037 871 K CB -0.243 32.344 32.500 0.146 0.000 0.824 871 K HN 0.447 nan 8.250 nan 0.000 0.516 872 Y N 2.098 122.480 120.300 0.137 0.000 2.983 872 Y HA -0.227 4.323 4.550 -0.000 0.000 0.185 872 Y C -0.344 175.602 175.900 0.077 0.000 1.476 872 Y CA 0.590 58.741 58.100 0.086 0.000 0.866 872 Y CB -1.789 36.749 38.460 0.130 0.000 1.331 872 Y HN 0.415 nan 8.280 nan 0.000 0.403 873 E N 2.937 123.208 120.200 0.118 0.000 2.028 873 E HA 0.316 4.666 4.350 -0.000 0.000 0.275 873 E C 0.709 177.295 176.600 -0.022 0.000 1.171 873 E CA -0.080 56.378 56.400 0.098 0.000 1.186 873 E CB -0.265 29.480 29.700 0.075 0.000 1.256 873 E HN 0.654 nan 8.360 nan 0.000 0.474 874 I N -0.566 119.872 120.570 -0.221 0.000 3.833 874 I HA 0.308 4.478 4.170 -0.000 0.000 0.328 874 I C -0.896 174.849 176.117 -0.620 0.000 1.554 874 I CA -0.694 60.359 61.300 -0.412 0.000 1.116 874 I CB -0.039 37.682 38.000 -0.465 0.000 1.182 874 I HN 0.078 nan 8.210 nan 0.000 0.459 875 Y N 0.000 120.346 120.300 0.077 0.000 2.660 875 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 875 Y CA 0.000 58.139 58.100 0.066 0.000 1.940 875 Y CB 0.000 38.499 38.460 0.065 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758