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 1ti6_1_I 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 0.000 176.312 176.300 0.021 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 G N -0.820 107.993 108.800 0.022 0.000 2.619 2 G HA2 0.724 4.683 3.960 -0.001 0.000 0.305 2 G HA3 0.724 4.683 3.960 -0.001 0.000 0.305 2 G C -1.493 173.422 174.900 0.025 0.000 1.330 2 G CA -0.622 44.492 45.100 0.024 0.000 0.789 2 G HN -0.092 nan 8.290 nan 0.000 0.487 3 E N -0.628 119.588 120.200 0.025 0.000 2.280 3 E HA 0.493 4.842 4.350 -0.001 0.000 0.261 3 E C 0.065 176.687 176.600 0.038 0.000 1.088 3 E CA -0.670 55.747 56.400 0.028 0.000 0.915 3 E CB 1.923 31.636 29.700 0.022 0.000 1.141 3 E HN 0.223 nan 8.360 nan 0.000 0.433 4 V N 1.242 121.186 119.914 0.049 0.000 2.637 4 V HA 0.116 4.235 4.120 -0.001 0.000 0.296 4 V C 0.225 176.352 176.094 0.056 0.000 1.046 4 V CA -0.267 62.079 62.300 0.077 0.000 1.066 4 V CB 1.057 32.953 31.823 0.122 0.000 0.968 4 V HN 0.291 nan 8.190 nan 0.000 0.483 5 V N 5.491 125.426 119.914 0.035 0.000 2.540 5 V HA 0.463 4.582 4.120 -0.001 0.000 0.302 5 V C 0.141 176.159 176.094 -0.126 0.000 1.035 5 V CA -0.879 61.402 62.300 -0.032 0.000 0.873 5 V CB 1.856 33.665 31.823 -0.023 0.000 0.992 5 V HN 0.844 nan 8.190 nan 0.000 0.428 6 R N 4.433 124.777 120.500 -0.260 0.000 2.202 6 R HA 0.626 4.965 4.340 -0.001 0.000 0.334 6 R C -1.169 174.931 176.300 -0.333 0.000 1.036 6 R CA -0.242 55.535 56.100 -0.538 0.000 0.878 6 R CB 0.418 30.266 30.300 -0.753 0.000 1.067 6 R HN 0.673 nan 8.270 nan 0.000 0.457 7 L N 2.141 123.225 121.223 -0.233 0.000 2.298 7 L HA 0.575 4.915 4.340 -0.001 0.000 0.268 7 L C 0.242 177.117 176.870 0.010 0.000 1.010 7 L CA -1.031 53.746 54.840 -0.106 0.000 0.812 7 L CB 2.221 44.234 42.059 -0.077 0.000 1.331 7 L HN 0.664 nan 8.230 nan 0.000 0.450 8 T N -1.974 112.590 114.554 0.016 0.000 2.885 8 T HA 0.589 4.938 4.350 -0.001 0.000 0.285 8 T C -0.602 174.069 174.700 -0.047 0.000 1.019 8 T CA -0.691 61.446 62.100 0.062 0.000 1.010 8 T CB 2.331 71.254 68.868 0.092 0.000 1.022 8 T HN 0.558 nan 8.240 nan 0.000 0.466 9 N N -0.203 118.446 118.700 -0.085 0.000 3.308 9 N HA 0.563 5.302 4.740 -0.001 0.000 0.276 9 N C -1.522 173.877 175.510 -0.185 0.000 1.533 9 N CA -0.450 52.467 53.050 -0.221 0.000 0.878 9 N CB 1.974 40.136 38.487 -0.541 0.000 1.566 9 N HN 0.753 nan 8.380 nan 0.000 0.546 10 S N -1.151 114.415 115.700 -0.223 0.000 2.819 10 S HA 0.869 5.338 4.470 -0.001 0.000 0.299 10 S C -1.561 172.958 174.600 -0.135 0.000 1.192 10 S CA 0.124 58.253 58.200 -0.119 0.000 0.847 10 S CB 0.681 63.942 63.200 0.102 0.000 1.224 10 S HN 0.968 nan 8.310 nan 0.000 0.537 11 S N -0.663 114.896 115.700 -0.236 0.000 2.656 11 S HA 0.295 4.764 4.470 -0.001 0.000 0.265 11 S C 0.388 174.671 174.600 -0.529 0.000 1.132 11 S CA 0.212 58.287 58.200 -0.208 0.000 0.819 11 S CB 0.213 63.295 63.200 -0.197 0.000 1.119 11 S HN 1.160 nan 8.310 nan 0.000 0.476 12 T N -1.982 112.458 114.554 -0.190 0.000 3.163 12 T HA 0.263 4.613 4.350 -0.001 0.000 0.260 12 T C 1.277 176.043 174.700 0.110 0.000 1.156 12 T CA 0.979 63.001 62.100 -0.129 0.000 1.072 12 T CB -0.664 68.365 68.868 0.269 0.000 0.937 12 T HN 1.265 nan 8.240 nan 0.000 0.528 13 G N -0.129 108.698 108.800 0.045 0.000 3.519 13 G HA2 0.574 4.533 3.960 -0.001 0.000 0.269 13 G HA3 0.574 4.533 3.960 -0.001 0.000 0.269 13 G C 0.539 175.344 174.900 -0.157 0.000 1.028 13 G CA -0.130 44.961 45.100 -0.014 0.000 0.809 13 G HN 0.966 nan 8.290 nan 0.000 0.521 14 G N -0.278 108.377 108.800 -0.242 0.000 2.515 14 G HA2 0.105 4.064 3.960 -0.001 0.000 0.686 14 G HA3 0.105 4.064 3.960 -0.001 0.000 0.686 14 G C -3.348 171.212 174.900 -0.567 0.000 1.274 14 G CA -0.988 43.816 45.100 -0.494 0.000 0.874 14 G HN 0.123 nan 8.290 nan 0.000 0.631 15 P HA 0.510 nan 4.420 nan 0.000 0.272 15 P C 0.117 177.173 177.300 -0.406 0.000 1.223 15 P CA -0.043 62.752 63.100 -0.510 0.000 0.784 15 P CB 1.348 32.707 31.700 -0.568 0.000 0.923 16 V N -1.371 118.372 119.914 -0.285 0.000 3.147 16 V HA 0.558 4.677 4.120 -0.001 0.000 0.306 16 V C -1.248 174.771 176.094 -0.126 0.000 1.209 16 V CA -1.052 61.133 62.300 -0.192 0.000 1.023 16 V CB 1.841 33.670 31.823 0.010 0.000 1.059 16 V HN 0.290 nan 8.190 nan 0.000 0.435 17 F N 1.302 121.228 119.950 -0.041 0.000 2.410 17 F HA 0.715 5.241 4.527 -0.001 0.000 0.349 17 F C 0.030 175.823 175.800 -0.011 0.000 1.117 17 F CA -0.956 56.990 58.000 -0.090 0.000 1.104 17 F CB 2.122 41.060 39.000 -0.104 0.000 1.122 17 F HN 0.380 nan 8.300 nan 0.000 0.483 18 V N 4.860 124.860 119.914 0.144 0.000 2.384 18 V HA 0.209 4.328 4.120 -0.001 0.000 0.287 18 V C -0.858 175.238 176.094 0.003 0.000 1.020 18 V CA -0.938 61.463 62.300 0.167 0.000 0.850 18 V CB 0.966 32.927 31.823 0.230 0.000 0.987 18 V HN 0.447 nan 8.190 nan 0.000 0.436 19 Y N 3.758 124.117 120.300 0.097 0.000 2.350 19 Y HA 0.578 5.127 4.550 -0.001 0.000 0.340 19 Y C 0.229 176.169 175.900 0.066 0.000 1.006 19 Y CA -0.485 57.649 58.100 0.056 0.000 1.166 19 Y CB 1.479 39.962 38.460 0.039 0.000 1.168 19 Y HN 0.373 nan 8.280 nan 0.000 0.502 20 V N 4.228 124.229 119.914 0.145 0.000 2.769 20 V HA 0.556 4.675 4.120 -0.001 0.000 0.312 20 V C -0.610 175.542 176.094 0.098 0.000 1.061 20 V CA -1.388 60.985 62.300 0.121 0.000 0.931 20 V CB 2.158 34.033 31.823 0.087 0.000 1.010 20 V HN 0.640 nan 8.190 nan 0.000 0.433 21 K N 2.177 122.631 120.400 0.090 0.000 2.553 21 K HA 0.348 4.668 4.320 -0.001 0.000 0.250 21 K C -1.070 175.564 176.600 0.056 0.000 0.953 21 K CA -0.513 55.814 56.287 0.066 0.000 0.800 21 K CB 1.391 33.927 32.500 0.061 0.000 1.243 21 K HN 0.749 nan 8.250 nan 0.000 0.435 22 D N 3.346 123.775 120.400 0.047 0.000 2.686 22 D HA -0.192 4.447 4.640 -0.001 0.000 0.235 22 D C 0.621 176.950 176.300 0.049 0.000 1.160 22 D CA 1.865 55.890 54.000 0.041 0.000 0.645 22 D CB -1.154 39.664 40.800 0.029 0.000 1.039 22 D HN 1.111 nan 8.370 nan 0.000 0.423 23 G N -0.094 108.744 108.800 0.062 0.000 2.166 23 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.260 23 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.260 23 G C 0.275 175.237 174.900 0.103 0.000 0.986 23 G CA 0.966 46.112 45.100 0.077 0.000 0.683 23 G HN 0.655 nan 8.290 nan 0.000 0.527 24 K N 0.132 120.592 120.400 0.101 0.000 2.345 24 K HA 0.647 4.966 4.320 -0.001 0.000 0.255 24 K C 0.267 176.972 176.600 0.175 0.000 0.934 24 K CA -1.224 55.142 56.287 0.131 0.000 0.801 24 K CB 0.930 33.449 32.500 0.032 0.000 1.137 24 K HN 0.114 nan 8.250 nan 0.000 0.424 25 I N 6.385 127.127 120.570 0.288 0.000 2.517 25 I HA -0.006 4.163 4.170 -0.001 0.000 0.285 25 I C 1.254 177.502 176.117 0.218 0.000 1.106 25 I CA 0.028 61.477 61.300 0.248 0.000 1.402 25 I CB 0.670 38.810 38.000 0.233 0.000 1.399 25 I HN 0.688 nan 8.210 nan 0.000 0.535 26 I N 5.820 126.498 120.570 0.180 0.000 2.429 26 I HA 0.025 4.194 4.170 -0.001 0.000 0.247 26 I C 0.997 177.190 176.117 0.127 0.000 1.099 26 I CA 0.622 62.002 61.300 0.133 0.000 1.422 26 I CB -0.001 38.064 38.000 0.109 0.000 1.112 26 I HN 0.663 nan 8.210 nan 0.000 0.430 27 R N 0.333 120.935 120.500 0.170 0.000 2.733 27 R HA 0.669 5.008 4.340 -0.001 0.000 0.272 27 R C -1.627 174.816 176.300 0.239 0.000 1.029 27 R CA -0.846 55.343 56.100 0.149 0.000 0.888 27 R CB 1.554 31.876 30.300 0.036 0.000 1.251 27 R HN -0.127 nan 8.270 nan 0.000 0.464 28 M N 1.468 121.185 119.600 0.194 0.000 2.267 28 M HA 0.387 4.866 4.480 -0.001 0.000 0.289 28 M C -1.117 175.288 176.300 0.175 0.000 1.043 28 M CA -0.696 54.734 55.300 0.217 0.000 0.928 28 M CB 2.746 35.439 32.600 0.156 0.000 1.613 28 M HN 0.967 nan 8.290 nan 0.000 0.450 29 T N 0.337 115.018 114.554 0.212 0.000 2.887 29 T HA 0.789 5.138 4.350 -0.001 0.000 0.292 29 T C -3.042 171.686 174.700 0.047 0.000 1.087 29 T CA -2.062 60.122 62.100 0.139 0.000 1.009 29 T CB 2.136 71.127 68.868 0.206 0.000 1.203 29 T HN 0.209 nan 8.240 nan 0.000 0.518 30 P HA 0.352 nan 4.420 nan 0.000 0.274 30 P C -0.676 176.493 177.300 -0.219 0.000 1.260 30 P CA -0.544 62.472 63.100 -0.141 0.000 0.793 30 P CB 0.314 31.951 31.700 -0.103 0.000 1.048 31 M N 0.768 120.118 119.600 -0.417 0.000 2.205 31 M HA 0.262 4.741 4.480 -0.001 0.000 0.344 31 M C -0.303 175.777 176.300 -0.368 0.000 1.085 31 M CA -0.313 54.609 55.300 -0.630 0.000 1.001 31 M CB 1.039 33.008 32.600 -1.052 0.000 1.626 31 M HN 0.143 nan 8.290 nan 0.000 0.442 32 D N 3.321 123.685 120.400 -0.061 0.000 2.225 32 D HA 0.357 4.996 4.640 -0.001 0.000 0.248 32 D C -0.759 175.641 176.300 0.166 0.000 1.096 32 D CA 0.099 54.081 54.000 -0.029 0.000 0.863 32 D CB 1.159 42.011 40.800 0.087 0.000 1.156 32 D HN 0.423 nan 8.370 nan 0.000 0.450 33 F N 0.752 120.691 119.950 -0.019 0.000 2.389 33 F HA 0.054 4.580 4.527 -0.001 0.000 0.337 33 F C 1.311 177.157 175.800 0.076 0.000 1.112 33 F CA -0.729 57.284 58.000 0.021 0.000 1.192 33 F CB 1.045 40.000 39.000 -0.076 0.000 1.185 33 F HN 0.111 nan 8.300 nan 0.000 0.552 34 D N 2.430 123.024 120.400 0.322 0.000 2.467 34 D HA 0.089 4.729 4.640 -0.001 0.000 0.220 34 D C 0.323 176.696 176.300 0.121 0.000 1.103 34 D CA -0.360 53.754 54.000 0.190 0.000 0.886 34 D CB 0.534 41.438 40.800 0.174 0.000 1.025 34 D HN 0.374 nan 8.370 nan 0.000 0.514 35 D N 2.528 122.990 120.400 0.103 0.000 2.357 35 D HA -0.135 4.504 4.640 -0.001 0.000 0.216 35 D C 1.647 177.972 176.300 0.042 0.000 0.973 35 D CA 0.714 54.753 54.000 0.066 0.000 0.912 35 D CB 0.166 41.002 40.800 0.060 0.000 0.900 35 D HN 0.532 nan 8.370 nan 0.000 0.501 36 A N -0.011 122.836 122.820 0.045 0.000 1.970 36 A HA 0.007 4.326 4.320 -0.001 0.000 0.216 36 A C 2.122 179.720 177.584 0.025 0.000 1.170 36 A CA 1.327 53.383 52.037 0.032 0.000 0.645 36 A CB 0.074 19.094 19.000 0.032 0.000 0.816 36 A HN 0.247 nan 8.150 nan 0.000 0.447 37 V N -4.331 115.595 119.914 0.020 0.000 3.562 37 V HA 0.255 4.374 4.120 -0.001 0.000 0.270 37 V C -0.603 175.470 176.094 -0.034 0.000 1.418 37 V CA -0.243 62.058 62.300 0.003 0.000 1.033 37 V CB -0.014 31.804 31.823 -0.008 0.000 0.820 37 V HN 0.166 nan 8.190 nan 0.000 0.441 38 D N 2.700 123.068 120.400 -0.053 0.000 2.198 38 D HA 0.660 5.299 4.640 -0.001 0.000 0.245 38 D C 0.469 176.675 176.300 -0.157 0.000 1.079 38 D CA 0.480 54.380 54.000 -0.167 0.000 0.854 38 D CB 2.021 42.686 40.800 -0.225 0.000 1.148 38 D HN 0.510 nan 8.370 nan 0.000 0.456 39 A N 3.727 126.414 122.820 -0.223 0.000 2.520 39 A HA 0.281 4.600 4.320 -0.001 0.000 0.235 39 A C -2.022 175.506 177.584 -0.093 0.000 1.065 39 A CA -0.613 51.336 52.037 -0.146 0.000 0.764 39 A CB -0.423 18.456 19.000 -0.201 0.000 1.002 39 A HN 0.331 nan 8.150 nan 0.000 0.502 40 P HA 0.168 nan 4.420 nan 0.000 0.269 40 P C -0.118 177.212 177.300 0.050 0.000 1.215 40 P CA 0.030 63.142 63.100 0.020 0.000 0.780 40 P CB 0.570 32.285 31.700 0.025 0.000 0.898 41 S N 0.911 116.650 115.700 0.066 0.000 2.669 41 S HA 0.333 4.802 4.470 -0.001 0.000 0.270 41 S C -0.003 174.577 174.600 -0.032 0.000 1.225 41 S CA -0.714 57.501 58.200 0.025 0.000 0.991 41 S CB 0.208 63.385 63.200 -0.038 0.000 0.987 41 S HN 0.497 nan 8.310 nan 0.000 0.552 42 W N 0.425 121.767 121.300 0.070 0.000 2.086 42 W HA 0.600 5.259 4.660 -0.001 0.000 0.355 42 W C -0.670 175.885 176.519 0.059 0.000 1.313 42 W CA -0.590 56.781 57.345 0.044 0.000 1.358 42 W CB -0.035 29.436 29.460 0.018 0.000 1.166 42 W HN 0.378 nan 8.180 nan 0.000 0.630 43 K N 1.090 121.765 120.400 0.459 0.000 2.498 43 K HA 0.579 4.898 4.320 -0.001 0.000 0.254 43 K C -1.184 175.652 176.600 0.393 0.000 0.933 43 K CA -0.917 55.561 56.287 0.318 0.000 0.806 43 K CB 2.716 35.288 32.500 0.119 0.000 1.301 43 K HN 0.366 nan 8.250 nan 0.000 0.432 44 I N 2.309 123.097 120.570 0.364 0.000 2.466 44 I HA 0.210 4.379 4.170 -0.001 0.000 0.289 44 I C -0.843 175.394 176.117 0.199 0.000 1.026 44 I CA -0.818 60.638 61.300 0.260 0.000 1.078 44 I CB 2.050 40.206 38.000 0.262 0.000 1.249 44 I HN 0.453 nan 8.210 nan 0.000 0.429 45 E N 5.291 125.561 120.200 0.117 0.000 2.115 45 E HA 0.709 5.058 4.350 -0.001 0.000 0.282 45 E C -0.791 175.864 176.600 0.092 0.000 0.987 45 E CA -0.262 56.179 56.400 0.069 0.000 0.797 45 E CB 1.714 31.431 29.700 0.027 0.000 1.086 45 E HN 0.625 nan 8.360 nan 0.000 0.397 46 A N 3.290 126.199 122.820 0.149 0.000 2.517 46 A HA 0.559 4.878 4.320 -0.001 0.000 0.297 46 A C -0.494 177.177 177.584 0.144 0.000 1.050 46 A CA -0.877 51.242 52.037 0.138 0.000 0.694 46 A CB 0.895 19.984 19.000 0.148 0.000 1.277 46 A HN 0.697 nan 8.150 nan 0.000 0.400 47 R N 1.171 121.708 120.500 0.063 0.000 3.405 47 R HA -0.241 4.098 4.340 -0.001 0.000 0.258 47 R C 1.108 177.425 176.300 0.028 0.000 1.030 47 R CA 1.218 57.350 56.100 0.054 0.000 0.691 47 R CB -2.066 28.286 30.300 0.087 0.000 1.093 47 R HN 2.541 nan 8.270 nan 0.000 0.448 48 G N -0.480 108.321 108.800 0.001 0.000 2.155 48 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.257 48 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.257 48 G C 0.039 174.884 174.900 -0.092 0.000 0.983 48 G CA 1.081 46.161 45.100 -0.033 0.000 0.676 48 G HN 0.441 nan 8.290 nan 0.000 0.528 49 K N -0.388 119.924 120.400 -0.147 0.000 2.340 49 K HA 0.650 4.969 4.320 -0.001 0.000 0.244 49 K C -0.666 175.619 176.600 -0.525 0.000 0.973 49 K CA -0.635 55.421 56.287 -0.384 0.000 0.828 49 K CB 1.771 33.925 32.500 -0.577 0.000 1.226 49 K HN 0.035 nan 8.250 nan 0.000 0.437 50 T N 1.944 116.117 114.554 -0.634 0.000 2.770 50 T HA 0.461 4.810 4.350 -0.001 0.000 0.283 50 T C -1.010 173.235 174.700 -0.758 0.000 0.988 50 T CA -0.488 61.320 62.100 -0.487 0.000 0.957 50 T CB 0.076 68.792 68.868 -0.254 0.000 0.930 50 T HN 0.227 nan 8.240 nan 0.000 0.443 51 F N 1.825 121.581 119.950 -0.323 0.000 2.426 51 F HA 0.587 5.113 4.527 -0.001 0.000 0.348 51 F C 0.798 176.395 175.800 -0.339 0.000 1.124 51 F CA -0.740 56.873 58.000 -0.646 0.000 1.008 51 F CB 2.028 40.379 39.000 -1.081 0.000 1.139 51 F HN 0.351 nan 8.300 nan 0.000 0.452 52 T N 4.928 119.407 114.554 -0.124 0.000 2.916 52 T HA 0.487 4.836 4.350 -0.001 0.000 0.298 52 T C -2.758 171.946 174.700 0.007 0.000 1.031 52 T CA -1.836 60.142 62.100 -0.204 0.000 0.993 52 T CB 1.573 70.346 68.868 -0.158 0.000 1.045 52 T HN 0.314 nan 8.240 nan 0.000 0.454 53 P HA 0.418 nan 4.420 nan 0.000 0.274 53 P C -2.790 174.535 177.300 0.043 0.000 1.246 53 P CA -1.400 61.680 63.100 -0.033 0.000 0.795 53 P CB -0.508 31.035 31.700 -0.263 0.000 1.006 54 P HA 0.190 nan 4.420 nan 0.000 0.271 54 P C 0.262 177.570 177.300 0.014 0.000 1.218 54 P CA -0.045 63.075 63.100 0.033 0.000 0.780 54 P CB 0.302 31.998 31.700 -0.007 0.000 0.901 55 R N 2.870 123.332 120.500 -0.064 0.000 4.792 55 R HA 0.166 4.505 4.340 -0.001 0.000 0.205 55 R C 0.373 176.300 176.300 -0.621 0.000 1.875 55 R CA 0.300 56.293 56.100 -0.179 0.000 1.588 55 R CB -0.589 29.709 30.300 -0.002 0.000 1.401 55 R HN 0.493 nan 8.270 nan 0.000 0.834 56 K N -0.157 119.761 120.400 -0.803 0.000 2.625 56 K HA 0.147 4.466 4.320 -0.001 0.000 0.284 56 K C -0.803 175.445 176.600 -0.586 0.000 0.984 56 K CA -0.497 55.289 56.287 -0.835 0.000 0.865 56 K CB 1.641 33.919 32.500 -0.371 0.000 1.468 56 K HN 0.125 nan 8.250 nan 0.000 0.407 57 T N -1.185 113.091 114.554 -0.464 0.000 2.923 57 T HA 0.674 5.023 4.350 -0.001 0.000 0.281 57 T C -0.111 174.533 174.700 -0.092 0.000 0.995 57 T CA -0.475 61.534 62.100 -0.152 0.000 0.985 57 T CB 1.287 70.022 68.868 -0.221 0.000 1.114 57 T HN 0.620 nan 8.240 nan 0.000 0.548 58 S N -0.048 115.668 115.700 0.027 0.000 2.595 58 S HA 0.783 5.252 4.470 -0.001 0.000 0.281 58 S C -0.511 174.093 174.600 0.008 0.000 1.117 58 S CA -1.088 57.140 58.200 0.047 0.000 0.873 58 S CB 1.066 64.357 63.200 0.151 0.000 1.108 58 S HN 1.186 nan 8.310 nan 0.000 0.477 59 I N -1.330 119.238 120.570 -0.004 0.000 3.002 59 I HA 0.940 5.109 4.170 -0.001 0.000 0.310 59 I C -0.092 175.925 176.117 -0.166 0.000 1.087 59 I CA -1.638 59.596 61.300 -0.109 0.000 1.017 59 I CB 1.577 39.507 38.000 -0.118 0.000 1.226 59 I HN 0.849 nan 8.210 nan 0.000 0.443 60 A N 3.396 125.968 122.820 -0.413 0.000 2.271 60 A HA 0.651 4.970 4.320 -0.001 0.000 0.288 60 A C -1.923 175.366 177.584 -0.492 0.000 1.094 60 A CA -1.556 50.065 52.037 -0.695 0.000 0.828 60 A CB -0.081 18.149 19.000 -1.283 0.000 1.091 60 A HN 0.705 nan 8.150 nan 0.000 0.493 61 P HA -0.206 nan 4.420 nan 0.000 0.215 61 P C 0.914 178.169 177.300 -0.075 0.000 1.157 61 P CA 2.132 65.196 63.100 -0.060 0.000 0.874 61 P CB -0.253 31.549 31.700 0.171 0.000 0.790 62 Y N -2.264 118.070 120.300 0.057 0.000 2.403 62 Y HA -0.033 4.517 4.550 -0.001 0.000 0.291 62 Y C 1.922 177.901 175.900 0.131 0.000 1.143 62 Y CA 1.092 59.226 58.100 0.057 0.000 1.257 62 Y CB -2.280 36.194 38.460 0.024 0.000 0.984 62 Y HN -0.154 nan 8.280 nan 0.000 0.550 63 T N 0.281 114.823 114.554 -0.020 0.000 2.976 63 T HA 0.100 4.449 4.350 -0.001 0.000 0.257 63 T C 2.242 176.998 174.700 0.094 0.000 1.051 63 T CA 0.944 63.091 62.100 0.080 0.000 1.141 63 T CB -0.406 68.409 68.868 -0.088 0.000 0.881 63 T HN 0.537 nan 8.240 nan 0.000 0.461 64 A N 1.152 123.990 122.820 0.030 0.000 1.940 64 A HA 0.115 4.434 4.320 -0.001 0.000 0.219 64 A C 2.197 179.854 177.584 0.122 0.000 1.176 64 A CA 1.694 53.768 52.037 0.061 0.000 0.631 64 A CB -0.817 18.206 19.000 0.039 0.000 0.814 64 A HN 0.501 nan 8.150 nan 0.000 0.446 65 G N -2.821 106.066 108.800 0.144 0.000 3.502 65 G HA2 0.262 4.221 3.960 -0.001 0.000 0.267 65 G HA3 0.262 4.221 3.960 -0.001 0.000 0.267 65 G C 0.784 175.712 174.900 0.047 0.000 1.090 65 G CA 0.152 45.361 45.100 0.182 0.000 0.795 65 G HN 0.343 nan 8.290 nan 0.000 0.535 66 F N 1.327 121.244 119.950 -0.055 0.000 2.250 66 F HA -0.020 4.506 4.527 -0.001 0.000 0.301 66 F C 2.427 178.084 175.800 -0.239 0.000 1.077 66 F CA 1.514 59.438 58.000 -0.126 0.000 1.348 66 F CB 0.287 39.220 39.000 -0.112 0.000 1.040 66 F HN 0.192 nan 8.300 nan 0.000 0.509 67 K N 0.071 120.385 120.400 -0.143 0.000 2.152 67 K HA -0.195 4.125 4.320 -0.001 0.000 0.206 67 K C 2.167 178.581 176.600 -0.311 0.000 1.048 67 K CA 1.584 57.741 56.287 -0.216 0.000 0.933 67 K CB -0.288 32.217 32.500 0.009 0.000 0.721 67 K HN 0.396 nan 8.250 nan 0.000 0.447 68 S N -0.230 115.174 115.700 -0.494 0.000 2.515 68 S HA -0.075 4.394 4.470 -0.001 0.000 0.231 68 S C 1.760 176.097 174.600 -0.438 0.000 0.987 68 S CA 0.693 58.493 58.200 -0.666 0.000 0.936 68 S CB -0.098 62.226 63.200 -1.459 0.000 0.766 68 S HN 0.289 nan 8.310 nan 0.000 0.528 69 M N 0.358 119.651 119.600 -0.511 0.000 2.466 69 M HA 0.301 4.780 4.480 -0.001 0.000 0.265 69 M C 1.880 178.107 176.300 -0.121 0.000 1.122 69 M CA 0.707 55.755 55.300 -0.419 0.000 1.157 69 M CB -0.274 31.846 32.600 -0.800 0.000 1.352 69 M HN 0.274 nan 8.290 nan 0.000 0.464 70 I N -0.794 119.539 120.570 -0.396 0.000 2.202 70 I HA -0.251 3.918 4.170 -0.001 0.000 0.242 70 I C 0.958 176.911 176.117 -0.274 0.000 1.091 70 I CA 1.365 62.445 61.300 -0.366 0.000 1.368 70 I CB -0.167 37.448 38.000 -0.641 0.000 1.058 70 I HN 0.220 nan 8.210 nan 0.000 0.410 71 Y N 0.809 121.065 120.300 -0.073 0.000 2.718 71 Y HA 0.244 4.793 4.550 -0.001 0.000 0.322 71 Y C 1.141 177.020 175.900 -0.034 0.000 1.122 71 Y CA -0.729 57.344 58.100 -0.044 0.000 1.348 71 Y CB -0.541 37.892 38.460 -0.045 0.000 1.174 71 Y HN -0.076 nan 8.280 nan 0.000 0.523 72 S N 0.870 116.639 115.700 0.113 0.000 2.564 72 S HA 0.004 4.473 4.470 -0.001 0.000 0.278 72 S C 1.072 175.741 174.600 0.116 0.000 1.333 72 S CA -0.440 57.821 58.200 0.101 0.000 1.048 72 S CB 0.575 63.872 63.200 0.163 0.000 0.900 72 S HN 0.583 nan 8.310 nan 0.000 0.505 73 D N 3.620 124.066 120.400 0.077 0.000 2.363 73 D HA -0.017 4.623 4.640 -0.001 0.000 0.226 73 D C 1.095 177.456 176.300 0.102 0.000 1.020 73 D CA 0.578 54.604 54.000 0.043 0.000 0.892 73 D CB -0.208 40.590 40.800 -0.004 0.000 0.900 73 D HN 0.511 nan 8.370 nan 0.000 0.531 74 L N -0.693 120.658 121.223 0.212 0.000 2.628 74 L HA 0.258 4.597 4.340 -0.001 0.000 0.229 74 L C 0.800 177.916 176.870 0.410 0.000 1.137 74 L CA -0.638 54.429 54.840 0.378 0.000 0.909 74 L CB -0.017 42.234 42.059 0.320 0.000 1.137 74 L HN -0.087 nan 8.230 nan 0.000 0.470 75 R N 1.427 122.092 120.500 0.275 0.000 2.590 75 R HA 0.158 4.498 4.340 -0.001 0.000 0.274 75 R C -0.194 176.124 176.300 0.030 0.000 1.061 75 R CA 0.073 56.215 56.100 0.069 0.000 1.081 75 R CB 0.213 30.506 30.300 -0.010 0.000 0.984 75 R HN 0.051 nan 8.270 nan 0.000 0.448 76 I N 8.624 129.144 120.570 -0.084 0.000 2.505 76 I HA 0.071 4.240 4.170 -0.001 0.000 0.287 76 I C -1.373 174.624 176.117 -0.201 0.000 1.104 76 I CA -1.579 59.649 61.300 -0.120 0.000 1.387 76 I CB 1.191 39.094 38.000 -0.161 0.000 1.404 76 I HN 0.649 nan 8.210 nan 0.000 0.528 77 P HA -0.071 nan 4.420 nan 0.000 0.217 77 P C -0.893 176.189 177.300 -0.363 0.000 1.151 77 P CA 1.361 64.177 63.100 -0.472 0.000 0.828 77 P CB 0.155 31.336 31.700 -0.865 0.000 0.788 78 Y N -7.055 113.206 120.300 -0.066 0.000 2.750 78 Y HA 0.615 5.164 4.550 -0.001 0.000 0.335 78 Y C -3.275 172.452 175.900 -0.289 0.000 1.252 78 Y CA -3.932 54.080 58.100 -0.148 0.000 1.064 78 Y CB -0.810 37.588 38.460 -0.104 0.000 1.321 78 Y HN -0.402 nan 8.280 nan 0.000 0.451 79 P HA 0.257 nan 4.420 nan 0.000 0.266 79 P C -0.857 176.413 177.300 -0.049 0.000 1.195 79 P CA 0.524 63.391 63.100 -0.389 0.000 0.768 79 P CB 0.393 31.686 31.700 -0.679 0.000 0.838 80 M N 2.137 121.706 119.600 -0.051 0.000 2.572 80 M HA 0.465 4.945 4.480 -0.001 0.000 0.299 80 M C -0.190 176.197 176.300 0.145 0.000 1.205 80 M CA -0.663 54.688 55.300 0.085 0.000 0.876 80 M CB 2.966 35.575 32.600 0.015 0.000 1.728 80 M HN 0.107 nan 8.290 nan 0.000 0.458 81 K N 1.606 122.161 120.400 0.258 0.000 2.427 81 K HA 0.478 4.797 4.320 -0.001 0.000 0.252 81 K C -1.109 175.652 176.600 0.268 0.000 0.931 81 K CA -0.775 55.675 56.287 0.272 0.000 0.793 81 K CB 2.262 34.881 32.500 0.198 0.000 1.211 81 K HN 0.763 nan 8.250 nan 0.000 0.426 82 R N 3.756 124.351 120.500 0.159 0.000 2.421 82 R HA 0.016 4.355 4.340 -0.001 0.000 0.305 82 R C 0.471 176.764 176.300 -0.013 0.000 1.039 82 R CA 0.424 56.392 56.100 -0.219 0.000 1.003 82 R CB 0.533 30.720 30.300 -0.189 0.000 0.959 82 R HN 0.692 nan 8.270 nan 0.000 0.427 83 K N 1.479 121.826 120.400 -0.088 0.000 2.044 83 K HA -0.172 4.147 4.320 -0.001 0.000 0.210 83 K C 1.608 178.221 176.600 0.022 0.000 1.049 83 K CA 2.184 58.465 56.287 -0.009 0.000 0.927 83 K CB -0.035 32.448 32.500 -0.028 0.000 0.713 83 K HN 0.708 nan 8.250 nan 0.000 0.443 84 S N 0.390 116.097 115.700 0.012 0.000 2.603 84 S HA -0.051 4.418 4.470 -0.001 0.000 0.229 84 S C 0.270 174.945 174.600 0.125 0.000 0.972 84 S CA -0.160 58.068 58.200 0.046 0.000 0.935 84 S CB -0.417 62.801 63.200 0.029 0.000 0.769 84 S HN 0.221 nan 8.310 nan 0.000 0.536 85 F N 2.901 122.854 119.950 0.004 0.000 2.385 85 F HA 0.543 5.069 4.527 -0.001 0.000 0.360 85 F C -0.644 175.189 175.800 0.054 0.000 1.122 85 F CA -1.514 56.516 58.000 0.050 0.000 1.090 85 F CB 1.049 40.102 39.000 0.089 0.000 1.150 85 F HN -0.036 nan 8.300 nan 0.000 0.472 86 D N 8.856 128.879 120.400 -0.628 0.000 2.453 86 D HA 0.343 4.982 4.640 -0.001 0.000 0.238 86 D C -2.113 173.728 176.300 -0.765 0.000 1.088 86 D CA -2.427 51.242 54.000 -0.553 0.000 0.854 86 D CB 2.226 42.880 40.800 -0.243 0.000 1.076 86 D HN 0.224 nan 8.370 nan 0.000 0.533 87 P HA -0.109 nan 4.420 nan 0.000 0.216 87 P C 0.069 177.222 177.300 -0.245 0.000 1.157 87 P CA 1.250 64.046 63.100 -0.505 0.000 0.880 87 P CB 0.274 31.820 31.700 -0.255 0.000 0.791 88 N N -1.583 117.006 118.700 -0.185 0.000 2.295 88 N HA 0.274 5.013 4.740 -0.001 0.000 0.221 88 N C 0.706 176.163 175.510 -0.088 0.000 1.129 88 N CA 0.150 53.139 53.050 -0.101 0.000 0.836 88 N CB 0.470 38.916 38.487 -0.069 0.000 1.040 88 N HN 0.148 nan 8.380 nan 0.000 0.494 89 G N -0.734 107.995 108.800 -0.118 0.000 3.255 89 G HA2 0.122 4.081 3.960 -0.001 0.000 0.161 89 G HA3 0.122 4.081 3.960 -0.001 0.000 0.161 89 G C -1.172 173.686 174.900 -0.071 0.000 1.173 89 G CA -0.447 44.606 45.100 -0.079 0.000 1.106 89 G HN -0.068 nan 8.290 nan 0.000 0.650 90 E N 1.204 121.369 120.200 -0.059 0.000 2.217 90 E HA 0.278 4.627 4.350 -0.001 0.000 0.279 90 E C 0.850 177.430 176.600 -0.034 0.000 1.068 90 E CA -0.135 56.251 56.400 -0.024 0.000 0.882 90 E CB 1.700 31.397 29.700 -0.005 0.000 1.039 90 E HN 0.410 nan 8.360 nan 0.000 0.418 91 R N 2.055 122.573 120.500 0.030 0.000 2.246 91 R HA 0.042 4.381 4.340 -0.001 0.000 0.199 91 R C -0.095 176.363 176.300 0.263 0.000 0.984 91 R CA -0.184 56.009 56.100 0.155 0.000 1.015 91 R CB 0.097 30.572 30.300 0.291 0.000 0.930 91 R HN 0.451 nan 8.270 nan 0.000 0.475 92 N N 0.926 119.717 118.700 0.151 0.000 2.678 92 N HA -0.129 4.610 4.740 -0.001 0.000 0.268 92 N C -2.230 173.376 175.510 0.161 0.000 1.010 92 N CA 0.383 53.512 53.050 0.131 0.000 0.784 92 N CB -0.494 38.055 38.487 0.103 0.000 0.905 92 N HN 0.199 nan 8.380 nan 0.000 0.552 93 P HA -0.189 nan 4.420 nan 0.000 0.216 93 P C 1.747 179.131 177.300 0.140 0.000 1.150 93 P CA 1.153 64.351 63.100 0.163 0.000 0.837 93 P CB 0.149 31.933 31.700 0.139 0.000 0.786 94 Q N -0.046 119.818 119.800 0.107 0.000 2.437 94 Q HA -0.099 4.241 4.340 -0.001 0.000 0.210 94 Q C 1.383 177.445 176.000 0.102 0.000 0.972 94 Q CA 1.343 57.204 55.803 0.097 0.000 0.903 94 Q CB -1.149 27.629 28.738 0.066 0.000 0.967 94 Q HN 0.338 nan 8.270 nan 0.000 0.486 95 L N 0.678 121.960 121.223 0.099 0.000 2.628 95 L HA 0.262 4.601 4.340 -0.001 0.000 0.229 95 L C 0.545 177.455 176.870 0.067 0.000 1.137 95 L CA -0.305 54.578 54.840 0.072 0.000 0.909 95 L CB 0.189 42.279 42.059 0.052 0.000 1.137 95 L HN -0.025 nan 8.230 nan 0.000 0.470 96 R N 0.747 121.322 120.500 0.124 0.000 2.421 96 R HA 0.249 4.589 4.340 -0.001 0.000 0.305 96 R C 1.099 177.488 176.300 0.148 0.000 1.039 96 R CA 0.723 56.909 56.100 0.143 0.000 1.003 96 R CB 0.351 30.805 30.300 0.257 0.000 0.959 96 R HN 0.294 nan 8.270 nan 0.000 0.427 97 G N 1.882 110.625 108.800 -0.095 0.000 2.157 97 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.248 97 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.248 97 G C 0.922 175.723 174.900 -0.164 0.000 0.979 97 G CA 0.263 45.132 45.100 -0.384 0.000 0.650 97 G HN 0.716 nan 8.290 nan 0.000 0.529 98 A N 0.191 122.971 122.820 -0.068 0.000 1.940 98 A HA 0.257 4.576 4.320 -0.001 0.000 0.219 98 A C 2.789 180.346 177.584 -0.046 0.000 1.176 98 A CA 2.392 54.412 52.037 -0.029 0.000 0.631 98 A CB -0.946 18.045 19.000 -0.015 0.000 0.814 98 A HN 1.640 nan 8.150 nan 0.000 0.446 99 G N -0.500 108.260 108.800 -0.067 0.000 2.418 99 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.217 99 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.217 99 G C 1.430 176.301 174.900 -0.048 0.000 1.158 99 G CA 1.132 46.214 45.100 -0.030 0.000 0.771 99 G HN 0.391 nan 8.290 nan 0.000 0.545 100 L N 1.232 122.377 121.223 -0.130 0.000 2.083 100 L HA 0.026 4.365 4.340 -0.001 0.000 0.209 100 L C 2.887 179.694 176.870 -0.105 0.000 1.083 100 L CA 1.768 56.506 54.840 -0.169 0.000 0.752 100 L CB -0.502 41.358 42.059 -0.331 0.000 0.899 100 L HN 0.161 nan 8.230 nan 0.000 0.433 101 S N -0.533 115.130 115.700 -0.061 0.000 2.507 101 S HA -0.111 4.358 4.470 -0.001 0.000 0.235 101 S C 1.272 175.868 174.600 -0.007 0.000 0.988 101 S CA 1.061 59.255 58.200 -0.010 0.000 0.944 101 S CB -0.262 62.953 63.200 0.026 0.000 0.762 101 S HN 0.601 nan 8.310 nan 0.000 0.526 102 K N 0.277 120.670 120.400 -0.012 0.000 2.646 102 K HA 0.345 4.664 4.320 -0.001 0.000 0.206 102 K C -0.580 176.022 176.600 0.004 0.000 1.069 102 K CA -0.289 55.999 56.287 0.002 0.000 1.067 102 K CB 0.218 32.723 32.500 0.009 0.000 0.807 102 K HN -0.162 nan 8.250 nan 0.000 0.482 103 Q N 1.293 121.085 119.800 -0.014 0.000 2.453 103 Q HA -0.208 4.131 4.340 -0.001 0.000 0.294 103 Q C -1.038 174.983 176.000 0.035 0.000 1.295 103 Q CA 1.594 57.392 55.803 -0.008 0.000 0.853 103 Q CB -1.672 27.063 28.738 -0.004 0.000 1.193 103 Q HN 0.657 nan 8.270 nan 0.000 0.461 104 D N -2.614 117.814 120.400 0.048 0.000 2.978 104 D HA 0.264 4.903 4.640 -0.001 0.000 0.268 104 D C -2.195 174.187 176.300 0.137 0.000 1.252 104 D CA -1.717 52.348 54.000 0.108 0.000 0.771 104 D CB 0.852 41.705 40.800 0.088 0.000 1.361 104 D HN -0.130 nan 8.370 nan 0.000 0.558 105 P HA -0.115 nan 4.420 nan 0.000 0.214 105 P C 1.201 178.696 177.300 0.325 0.000 1.163 105 P CA 1.232 64.425 63.100 0.155 0.000 0.889 105 P CB 0.047 31.786 31.700 0.066 0.000 0.790 106 W N 0.349 121.806 121.300 0.262 0.000 2.350 106 W HA -0.136 4.523 4.660 -0.001 0.000 0.289 106 W C 2.626 179.212 176.519 0.110 0.000 1.215 106 W CA 1.720 59.105 57.345 0.068 0.000 1.236 106 W CB -1.465 27.933 29.460 -0.102 0.000 1.130 106 W HN 0.012 nan 8.180 nan 0.000 0.541 107 S N -0.801 115.078 115.700 0.298 0.000 2.500 107 S HA -0.180 4.289 4.470 -0.001 0.000 0.239 107 S C 1.304 175.962 174.600 0.096 0.000 0.989 107 S CA 1.502 59.802 58.200 0.167 0.000 0.951 107 S CB -0.343 62.923 63.200 0.110 0.000 0.759 107 S HN 0.135 nan 8.310 nan 0.000 0.523 108 D N 0.225 120.672 120.400 0.078 0.000 2.277 108 D HA 0.172 4.811 4.640 -0.001 0.000 0.208 108 D C -0.262 175.790 176.300 -0.413 0.000 0.962 108 D CA 0.640 54.523 54.000 -0.194 0.000 0.865 108 D CB 0.062 40.654 40.800 -0.347 0.000 0.939 108 D HN 0.516 nan 8.370 nan 0.000 0.510 109 Y N 0.150 120.493 120.300 0.071 0.000 2.567 109 Y HA 0.407 4.956 4.550 -0.001 0.000 0.333 109 Y C 0.440 176.389 175.900 0.082 0.000 1.106 109 Y CA -1.196 56.946 58.100 0.070 0.000 1.157 109 Y CB 1.196 39.684 38.460 0.046 0.000 1.277 109 Y HN -0.235 nan 8.280 nan 0.000 0.490 110 E N 0.231 120.572 120.200 0.234 0.000 2.343 110 E HA 0.513 4.862 4.350 -0.001 0.000 0.270 110 E C -1.297 175.382 176.600 0.131 0.000 0.895 110 E CA -1.388 55.098 56.400 0.142 0.000 0.767 110 E CB 2.281 32.026 29.700 0.074 0.000 1.248 110 E HN 0.575 nan 8.360 nan 0.000 0.440 111 R N 2.333 122.847 120.500 0.023 0.000 2.490 111 R HA 0.436 4.775 4.340 -0.001 0.000 0.280 111 R C -0.220 176.006 176.300 -0.123 0.000 1.077 111 R CA -0.174 55.837 56.100 -0.148 0.000 1.065 111 R CB 0.422 30.356 30.300 -0.610 0.000 1.003 111 R HN 0.708 nan 8.270 nan 0.000 0.470 112 I N -0.523 119.976 120.570 -0.120 0.000 3.006 112 I HA 0.425 4.595 4.170 -0.001 0.000 0.306 112 I C -0.534 175.509 176.117 -0.124 0.000 1.250 112 I CA -1.156 60.092 61.300 -0.088 0.000 0.996 112 I CB 2.284 40.268 38.000 -0.027 0.000 1.261 112 I HN 0.701 nan 8.210 nan 0.000 0.442 113 S N 1.525 117.181 115.700 -0.073 0.000 2.614 113 S HA 0.271 4.741 4.470 -0.001 0.000 0.265 113 S C 0.267 174.849 174.600 -0.030 0.000 1.303 113 S CA -0.344 57.836 58.200 -0.034 0.000 1.000 113 S CB 0.836 64.052 63.200 0.027 0.000 0.935 113 S HN 0.877 nan 8.310 nan 0.000 0.551 114 W N 0.593 121.888 121.300 -0.008 0.000 2.363 114 W HA -0.036 4.623 4.660 -0.001 0.000 0.296 114 W C 2.220 178.702 176.519 -0.061 0.000 1.212 114 W CA 1.434 58.758 57.345 -0.035 0.000 1.260 114 W CB -0.367 29.067 29.460 -0.043 0.000 1.131 114 W HN 0.902 nan 8.180 nan 0.000 0.530 115 D N 0.019 120.536 120.400 0.196 0.000 2.117 115 D HA -0.253 4.386 4.640 -0.001 0.000 0.197 115 D C 1.934 178.272 176.300 0.065 0.000 0.987 115 D CA 1.824 55.883 54.000 0.099 0.000 0.829 115 D CB -0.168 40.677 40.800 0.075 0.000 0.961 115 D HN 0.254 nan 8.370 nan 0.000 0.460 116 E N -0.533 119.700 120.200 0.054 0.000 2.072 116 E HA -0.125 4.224 4.350 -0.001 0.000 0.190 116 E C 2.006 178.638 176.600 0.054 0.000 0.982 116 E CA 0.902 57.329 56.400 0.044 0.000 0.803 116 E CB -0.184 29.534 29.700 0.030 0.000 0.755 116 E HN 0.272 nan 8.360 nan 0.000 0.453 117 A N 0.763 123.602 122.820 0.032 0.000 1.865 117 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 117 A C 2.511 180.153 177.584 0.097 0.000 1.191 117 A CA 2.729 54.789 52.037 0.038 0.000 0.623 117 A CB -1.469 17.477 19.000 -0.090 0.000 0.826 117 A HN 0.550 nan 8.150 nan 0.000 0.444 118 T N -2.392 112.190 114.554 0.045 0.000 2.821 118 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 118 T C 1.391 176.155 174.700 0.106 0.000 1.046 118 T CA 1.541 63.615 62.100 -0.043 0.000 1.139 118 T CB -0.490 68.149 68.868 -0.382 0.000 0.871 118 T HN 0.345 nan 8.240 nan 0.000 0.454 119 D N 1.326 121.774 120.400 0.080 0.000 2.117 119 D HA 0.038 4.677 4.640 -0.001 0.000 0.197 119 D C 2.049 178.412 176.300 0.104 0.000 0.987 119 D CA 0.713 54.767 54.000 0.090 0.000 0.829 119 D CB -0.345 40.492 40.800 0.062 0.000 0.961 119 D HN 0.434 nan 8.370 nan 0.000 0.460 120 I N 0.205 120.840 120.570 0.108 0.000 2.179 120 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 120 I C 2.335 178.489 176.117 0.061 0.000 1.088 120 I CA 0.610 61.962 61.300 0.087 0.000 1.357 120 I CB -0.109 37.983 38.000 0.153 0.000 1.051 120 I HN -0.093 nan 8.210 nan 0.000 0.409 121 V N 0.311 120.355 119.914 0.216 0.000 2.295 121 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 121 V C 2.436 178.662 176.094 0.221 0.000 1.049 121 V CA 1.458 63.924 62.300 0.276 0.000 1.024 121 V CB -0.441 31.605 31.823 0.370 0.000 0.648 121 V HN 0.230 nan 8.190 nan 0.000 0.447 122 V N 0.454 120.551 119.914 0.305 0.000 2.332 122 V HA -0.277 3.843 4.120 -0.001 0.000 0.248 122 V C 2.727 178.904 176.094 0.138 0.000 1.055 122 V CA 2.038 64.496 62.300 0.264 0.000 1.038 122 V CB -1.167 30.820 31.823 0.273 0.000 0.651 122 V HN 0.564 nan 8.190 nan 0.000 0.450 123 A N -0.535 122.333 122.820 0.081 0.000 1.902 123 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 123 A C 2.221 179.808 177.584 0.005 0.000 1.181 123 A CA 1.675 53.732 52.037 0.033 0.000 0.623 123 A CB -0.382 18.621 19.000 0.005 0.000 0.818 123 A HN 0.525 nan 8.150 nan 0.000 0.443 124 E N 0.029 120.192 120.200 -0.063 0.000 2.047 124 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 124 E C 2.038 178.685 176.600 0.077 0.000 0.987 124 E CA 1.055 57.405 56.400 -0.084 0.000 0.799 124 E CB -0.486 28.974 29.700 -0.399 0.000 0.752 124 E HN 0.716 nan 8.360 nan 0.000 0.449 125 I N 1.922 122.569 120.570 0.129 0.000 2.118 125 I HA -0.326 3.843 4.170 -0.001 0.000 0.241 125 I C 1.977 178.163 176.117 0.115 0.000 1.070 125 I CA 1.194 62.599 61.300 0.175 0.000 1.327 125 I CB -0.383 37.743 38.000 0.210 0.000 1.034 125 I HN 0.061 nan 8.210 nan 0.000 0.405 126 N N 0.482 119.223 118.700 0.069 0.000 2.188 126 N HA -0.181 4.558 4.740 -0.001 0.000 0.184 126 N C 1.846 177.358 175.510 0.004 0.000 1.018 126 N CA 1.015 54.057 53.050 -0.014 0.000 0.858 126 N CB -0.470 38.003 38.487 -0.024 0.000 0.989 126 N HN 0.369 nan 8.380 nan 0.000 0.426 127 R N 1.081 121.619 120.500 0.063 0.000 2.070 127 R HA 0.018 4.357 4.340 -0.001 0.000 0.233 127 R C 2.150 178.532 176.300 0.137 0.000 1.137 127 R CA 1.049 57.206 56.100 0.094 0.000 0.945 127 R CB -0.309 30.044 30.300 0.087 0.000 0.845 127 R HN 0.125 nan 8.270 nan 0.000 0.430 128 I N 0.944 121.628 120.570 0.190 0.000 2.226 128 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 128 I C 2.291 178.567 176.117 0.265 0.000 1.100 128 I CA 1.467 62.954 61.300 0.311 0.000 1.374 128 I CB -0.210 37.983 38.000 0.322 0.000 1.057 128 I HN 0.237 nan 8.210 nan 0.000 0.413 129 K N -0.271 120.232 120.400 0.172 0.000 2.057 129 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 129 K C 1.966 178.667 176.600 0.169 0.000 1.049 129 K CA 1.363 57.735 56.287 0.142 0.000 0.931 129 K CB -0.243 32.287 32.500 0.050 0.000 0.714 129 K HN 0.487 nan 8.250 nan 0.000 0.440 130 H N -1.182 117.923 119.070 0.058 0.000 2.529 130 H HA 0.064 4.620 4.556 -0.001 0.000 0.277 130 H C 1.676 176.971 175.328 -0.055 0.000 0.999 130 H CA 0.357 56.412 56.048 0.012 0.000 1.256 130 H CB 0.443 30.211 29.762 0.011 0.000 1.402 130 H HN 0.239 nan 8.280 nan 0.000 0.566 131 A N -0.339 122.480 122.820 -0.001 0.000 1.993 131 A HA 0.032 4.351 4.320 -0.001 0.000 0.207 131 A C 0.987 178.268 177.584 -0.506 0.000 1.224 131 A CA 0.383 52.220 52.037 -0.334 0.000 0.749 131 A CB 0.123 18.791 19.000 -0.553 0.000 0.884 131 A HN 0.294 nan 8.150 nan 0.000 0.467 132 Y N -1.195 119.179 120.300 0.122 0.000 2.512 132 Y HA 0.458 5.007 4.550 -0.001 0.000 0.268 132 Y C 1.236 177.214 175.900 0.131 0.000 1.102 132 Y CA -0.071 58.099 58.100 0.118 0.000 1.261 132 Y CB 0.440 38.975 38.460 0.126 0.000 1.250 132 Y HN 0.513 nan 8.280 nan 0.000 0.506 133 G N 0.447 109.408 108.800 0.268 0.000 2.619 133 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.686 133 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.686 133 G C -2.393 172.646 174.900 0.233 0.000 1.256 133 G CA -0.692 44.543 45.100 0.225 0.000 0.826 133 G HN -0.085 nan 8.290 nan 0.000 0.619 134 P HA -0.116 nan 4.420 nan 0.000 0.216 134 P C 2.223 179.642 177.300 0.199 0.000 1.150 134 P CA 2.507 65.718 63.100 0.185 0.000 0.843 134 P CB -0.037 31.752 31.700 0.148 0.000 0.787 135 S N -0.577 115.246 115.700 0.205 0.000 2.442 135 S HA -0.094 4.375 4.470 -0.001 0.000 0.236 135 S C 1.950 176.661 174.600 0.184 0.000 1.007 135 S CA 1.030 59.326 58.200 0.159 0.000 0.965 135 S CB -1.297 62.029 63.200 0.211 0.000 0.773 135 S HN 0.141 nan 8.310 nan 0.000 0.504 136 A N 0.862 123.812 122.820 0.218 0.000 2.209 136 A HA 0.393 4.712 4.320 -0.001 0.000 0.212 136 A C 0.901 178.606 177.584 0.202 0.000 1.158 136 A CA 0.138 52.288 52.037 0.189 0.000 0.742 136 A CB -0.500 18.621 19.000 0.202 0.000 0.790 136 A HN 0.628 nan 8.150 nan 0.000 0.472 137 I N 1.203 121.920 120.570 0.244 0.000 2.306 137 I HA 0.241 4.410 4.170 -0.001 0.000 0.288 137 I C -0.484 175.836 176.117 0.338 0.000 1.036 137 I CA -0.590 60.895 61.300 0.309 0.000 1.221 137 I CB 1.138 39.344 38.000 0.344 0.000 1.385 137 I HN 0.151 nan 8.210 nan 0.000 0.472 138 L N 6.415 127.821 121.223 0.305 0.000 2.350 138 L HA 0.584 4.923 4.340 -0.001 0.000 0.275 138 L C -0.046 177.177 176.870 0.588 0.000 1.099 138 L CA 0.667 55.674 54.840 0.278 0.000 0.808 138 L CB 1.524 43.526 42.059 -0.097 0.000 1.149 138 L HN 0.585 nan 8.230 nan 0.000 0.442 139 S N 2.417 118.516 115.700 0.666 0.000 2.537 139 S HA 0.764 5.233 4.470 -0.001 0.000 0.270 139 S C -1.153 173.906 174.600 0.766 0.000 1.142 139 S CA -0.274 58.389 58.200 0.770 0.000 0.870 139 S CB 1.428 64.954 63.200 0.544 0.000 1.112 139 S HN 0.962 nan 8.310 nan 0.000 0.466 140 T N 4.170 119.106 114.554 0.636 0.000 3.393 140 T HA 0.564 4.913 4.350 -0.001 0.000 0.359 140 T C -2.930 171.899 174.700 0.216 0.000 1.380 140 T CA -0.849 61.513 62.100 0.436 0.000 1.132 140 T CB 1.686 70.761 68.868 0.346 0.000 1.284 140 T HN 0.446 nan 8.240 nan 0.000 0.477 141 P HA 0.623 nan 4.420 nan 0.000 0.333 141 P C -0.370 176.958 177.300 0.046 0.000 1.370 141 P CA -0.244 62.802 63.100 -0.090 0.000 0.851 141 P CB 0.913 32.242 31.700 -0.619 0.000 2.082 142 S N -2.872 112.825 115.700 -0.005 0.000 2.705 142 S HA 0.351 4.820 4.470 -0.001 0.000 0.280 142 S C 1.349 175.827 174.600 -0.203 0.000 1.174 142 S CA -0.314 57.785 58.200 -0.170 0.000 0.823 142 S CB 0.581 63.702 63.200 -0.132 0.000 1.162 142 S HN 0.246 nan 8.310 nan 0.000 0.487 143 S N 1.085 116.579 115.700 -0.343 0.000 2.365 143 S HA -0.061 4.408 4.470 -0.001 0.000 0.225 143 S C 0.557 174.934 174.600 -0.371 0.000 1.039 143 S CA 1.322 59.359 58.200 -0.271 0.000 1.033 143 S CB -0.440 62.600 63.200 -0.267 0.000 0.887 143 S HN 0.632 nan 8.310 nan 0.000 0.447 144 H N -0.515 118.658 119.070 0.172 0.000 2.615 144 H HA 0.571 5.127 4.556 -0.001 0.000 0.346 144 H C -0.147 175.299 175.328 0.196 0.000 1.200 144 H CA -0.304 55.912 56.048 0.281 0.000 1.264 144 H CB 1.236 31.214 29.762 0.360 0.000 1.699 144 H HN 0.251 nan 8.280 nan 0.000 0.567 145 H N 0.657 119.816 119.070 0.148 0.000 3.014 145 H HA 0.119 4.674 4.556 -0.001 0.000 0.337 145 H C -0.565 174.832 175.328 0.114 0.000 1.320 145 H CA -0.655 55.346 56.048 -0.079 0.000 1.128 145 H CB 1.688 31.007 29.762 -0.739 0.000 1.862 145 H HN 0.374 nan 8.280 nan 0.000 0.536 146 M N 1.492 121.111 119.600 0.030 0.000 2.252 146 M HA -0.106 4.373 4.480 -0.001 0.000 0.329 146 M C 0.717 177.321 176.300 0.507 0.000 1.101 146 M CA 0.477 55.938 55.300 0.268 0.000 1.117 146 M CB -0.205 32.477 32.600 0.137 0.000 1.563 146 M HN 0.423 nan 8.290 nan 0.000 0.445 147 W N 2.059 123.479 121.300 0.200 0.000 2.181 147 W HA 0.376 5.036 4.660 -0.001 0.000 0.335 147 W C 0.172 176.808 176.519 0.196 0.000 1.310 147 W CA 0.491 57.952 57.345 0.194 0.000 1.226 147 W CB 1.076 30.568 29.460 0.054 0.000 1.155 147 W HN 0.754 nan 8.180 nan 0.000 0.565 148 G N 3.812 112.510 108.800 -0.170 0.000 2.414 148 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.213 148 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.213 148 G C -0.111 174.717 174.900 -0.120 0.000 1.444 148 G CA -0.750 44.300 45.100 -0.084 0.000 1.076 148 G HN 0.503 nan 8.290 nan 0.000 0.638 149 N N 0.496 119.051 118.700 -0.241 0.000 2.120 149 N HA -0.105 4.634 4.740 -0.001 0.000 0.188 149 N C 2.557 177.944 175.510 -0.204 0.000 1.024 149 N CA 1.602 54.491 53.050 -0.267 0.000 0.852 149 N CB -0.028 38.233 38.487 -0.377 0.000 1.003 149 N HN 0.443 nan 8.380 nan 0.000 0.424 150 V N -0.097 119.660 119.914 -0.261 0.000 2.427 150 V HA -0.060 4.059 4.120 -0.001 0.000 0.248 150 V C 2.033 178.120 176.094 -0.011 0.000 1.051 150 V CA 1.913 64.114 62.300 -0.165 0.000 1.048 150 V CB -0.890 30.840 31.823 -0.157 0.000 0.666 150 V HN 0.409 nan 8.190 nan 0.000 0.456 151 G N -2.539 106.298 108.800 0.062 0.000 3.042 151 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.212 151 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.212 151 G C 0.337 175.301 174.900 0.106 0.000 1.166 151 G CA -0.250 44.948 45.100 0.163 0.000 0.767 151 G HN 0.424 nan 8.290 nan 0.000 0.546 152 Y N 1.780 121.985 120.300 -0.159 0.000 2.457 152 Y HA 0.107 4.656 4.550 -0.001 0.000 0.341 152 Y C 2.373 178.035 175.900 -0.397 0.000 1.240 152 Y CA -0.204 57.607 58.100 -0.481 0.000 1.437 152 Y CB 0.829 39.103 38.460 -0.310 0.000 1.328 152 Y HN 0.228 nan 8.280 nan 0.000 0.588 153 R N 0.962 120.997 120.500 -0.776 0.000 2.139 153 R HA -0.246 4.093 4.340 -0.001 0.000 0.243 153 R C 0.955 177.059 176.300 -0.327 0.000 1.145 153 R CA 2.341 58.121 56.100 -0.534 0.000 0.976 153 R CB -0.814 29.033 30.300 -0.754 0.000 0.866 153 R HN 0.764 nan 8.270 nan 0.000 0.449 154 H N 0.019 119.083 119.070 -0.010 0.000 2.521 154 H HA 0.063 4.618 4.556 -0.001 0.000 0.286 154 H C 1.934 177.420 175.328 0.263 0.000 1.034 154 H CA 1.316 57.483 56.048 0.198 0.000 1.278 154 H CB 0.275 30.258 29.762 0.368 0.000 1.386 154 H HN 0.332 nan 8.280 nan 0.000 0.567 155 S N -1.383 114.479 115.700 0.269 0.000 2.826 155 S HA -0.028 4.441 4.470 -0.001 0.000 0.193 155 S C 2.109 176.802 174.600 0.155 0.000 0.838 155 S CA 0.701 59.025 58.200 0.207 0.000 0.844 155 S CB -0.341 62.949 63.200 0.150 0.000 0.816 155 S HN 0.312 nan 8.310 nan 0.000 0.626 156 T N 1.155 115.807 114.554 0.163 0.000 2.701 156 T HA -0.051 4.298 4.350 -0.001 0.000 0.263 156 T C 1.554 176.395 174.700 0.235 0.000 1.040 156 T CA 1.788 64.059 62.100 0.286 0.000 1.147 156 T CB -0.677 68.448 68.868 0.429 0.000 0.865 156 T HN 0.510 nan 8.240 nan 0.000 0.426 157 Y N 0.972 121.251 120.300 -0.035 0.000 2.053 157 Y HA -0.196 4.353 4.550 -0.001 0.000 0.277 157 Y C 1.980 177.671 175.900 -0.348 0.000 1.159 157 Y CA 1.390 59.298 58.100 -0.321 0.000 1.125 157 Y CB -0.724 37.336 38.460 -0.666 0.000 0.969 157 Y HN 0.275 nan 8.280 nan 0.000 0.492 158 F N -0.156 119.687 119.950 -0.179 0.000 2.171 158 F HA -0.211 4.315 4.527 -0.001 0.000 0.300 158 F C 2.803 178.453 175.800 -0.250 0.000 1.090 158 F CA 1.118 58.947 58.000 -0.286 0.000 1.293 158 F CB -0.319 38.622 39.000 -0.099 0.000 1.013 158 F HN -0.016 nan 8.300 nan 0.000 0.486 159 R N 0.029 120.592 120.500 0.105 0.000 2.091 159 R HA -0.237 4.102 4.340 -0.001 0.000 0.238 159 R C 2.210 178.570 176.300 0.100 0.000 1.136 159 R CA 1.880 58.052 56.100 0.120 0.000 0.959 159 R CB -0.529 29.873 30.300 0.171 0.000 0.856 159 R HN 0.311 nan 8.270 nan 0.000 0.437 160 F N 0.487 120.320 119.950 -0.195 0.000 2.118 160 F HA -0.129 4.397 4.527 -0.001 0.000 0.293 160 F C 2.113 177.488 175.800 -0.709 0.000 1.102 160 F CA 1.204 58.831 58.000 -0.622 0.000 1.247 160 F CB -0.144 38.022 39.000 -1.390 0.000 1.017 160 F HN -0.069 nan 8.300 nan 0.000 0.475 161 M N 0.736 119.758 119.600 -0.962 0.000 2.149 161 M HA -0.258 4.221 4.480 -0.001 0.000 0.261 161 M C 1.787 177.629 176.300 -0.764 0.000 1.064 161 M CA 1.624 56.194 55.300 -1.217 0.000 1.102 161 M CB -1.915 29.540 32.600 -1.908 0.000 1.369 161 M HN 0.348 nan 8.290 nan 0.000 0.408 162 N N -0.257 118.200 118.700 -0.405 0.000 2.289 162 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 162 N C 1.430 176.836 175.510 -0.173 0.000 1.016 162 N CA 0.924 53.898 53.050 -0.126 0.000 0.872 162 N CB -0.079 38.347 38.487 -0.102 0.000 0.973 162 N HN 0.390 nan 8.380 nan 0.000 0.433 163 M N -0.540 118.868 119.600 -0.318 0.000 2.495 163 M HA 0.130 4.609 4.480 -0.001 0.000 0.237 163 M C 1.594 177.679 176.300 -0.359 0.000 1.131 163 M CA 0.306 55.439 55.300 -0.279 0.000 1.032 163 M CB 0.436 32.886 32.600 -0.251 0.000 1.513 163 M HN 0.233 nan 8.290 nan 0.000 0.488 164 M N -0.497 118.811 119.600 -0.487 0.000 3.101 164 M HA 0.284 4.763 4.480 -0.001 0.000 0.236 164 M C 1.059 177.278 176.300 -0.136 0.000 1.538 164 M CA 1.161 56.215 55.300 -0.411 0.000 1.309 164 M CB -0.077 32.071 32.600 -0.754 0.000 1.141 164 M HN 0.162 nan 8.290 nan 0.000 0.579 165 G N -0.198 108.570 108.800 -0.053 0.000 3.310 165 G HA2 0.591 4.550 3.960 -0.001 0.000 0.176 165 G HA3 0.591 4.550 3.960 -0.001 0.000 0.176 165 G C -0.858 174.234 174.900 0.320 0.000 1.307 165 G CA -0.108 45.117 45.100 0.208 0.000 0.935 165 G HN 0.539 nan 8.290 nan 0.000 0.628 166 F N -3.293 116.637 119.950 -0.034 0.000 2.878 166 F HA 0.575 5.101 4.527 -0.001 0.000 0.322 166 F C -1.217 174.613 175.800 0.050 0.000 1.154 166 F CA -1.175 56.840 58.000 0.025 0.000 0.896 166 F CB 1.223 40.227 39.000 0.007 0.000 1.313 166 F HN 0.399 nan 8.300 nan 0.000 0.451 167 T N 2.024 116.553 114.554 -0.042 0.000 2.743 167 T HA 0.285 4.634 4.350 -0.001 0.000 0.292 167 T C -1.502 173.171 174.700 -0.046 0.000 0.972 167 T CA -0.194 61.818 62.100 -0.147 0.000 0.967 167 T CB 0.198 69.067 68.868 0.002 0.000 0.926 167 T HN 0.537 nan 8.240 nan 0.000 0.459 168 Y N 3.017 123.089 120.300 -0.380 0.000 2.304 168 Y HA 0.511 5.060 4.550 -0.001 0.000 0.328 168 Y C 0.158 176.076 175.900 0.030 0.000 1.123 168 Y CA -1.869 56.190 58.100 -0.069 0.000 1.218 168 Y CB 0.690 39.065 38.460 -0.142 0.000 1.207 168 Y HN 0.668 nan 8.280 nan 0.000 0.495 169 A N 6.021 128.683 122.820 -0.263 0.000 2.923 169 A HA 0.163 4.483 4.320 -0.001 0.000 0.306 169 A C -0.153 177.074 177.584 -0.594 0.000 1.542 169 A CA -0.583 51.275 52.037 -0.299 0.000 1.225 169 A CB -0.859 18.054 19.000 -0.145 0.000 1.147 169 A HN 0.766 nan 8.150 nan 0.000 0.542 170 D N 1.662 121.778 120.400 -0.473 0.000 2.525 170 D HA -0.022 4.617 4.640 -0.001 0.000 0.235 170 D C 0.025 176.218 176.300 -0.179 0.000 1.137 170 D CA 0.743 54.475 54.000 -0.447 0.000 0.868 170 D CB 0.396 41.124 40.800 -0.120 0.000 1.180 170 D HN 0.535 nan 8.370 nan 0.000 0.465 171 H N 2.520 121.491 119.070 -0.165 0.000 2.683 171 H HA 0.089 4.645 4.556 -0.001 0.000 0.339 171 H C 0.633 176.089 175.328 0.214 0.000 1.081 171 H CA -0.412 55.633 56.048 -0.005 0.000 1.432 171 H CB 0.293 30.064 29.762 0.015 0.000 1.462 171 H HN 0.391 nan 8.280 nan 0.000 0.557 172 N N 4.023 122.936 118.700 0.355 0.000 2.482 172 N HA 0.042 4.781 4.740 -0.001 0.000 0.260 172 N C -2.518 173.247 175.510 0.425 0.000 1.236 172 N CA -1.604 51.667 53.050 0.367 0.000 0.938 172 N CB 0.864 39.529 38.487 0.297 0.000 1.128 172 N HN 0.304 nan 8.380 nan 0.000 0.448 173 P HA 0.042 nan 4.420 nan 0.000 0.231 173 P C -0.154 177.281 177.300 0.226 0.000 1.756 173 P CA -0.209 62.795 63.100 -0.159 0.000 0.990 173 P CB -0.287 30.940 31.700 -0.788 0.000 1.973 174 D N 0.233 120.782 120.400 0.250 0.000 2.154 174 D HA -0.245 4.394 4.640 -0.001 0.000 0.190 174 D C 1.536 177.860 176.300 0.041 0.000 1.003 174 D CA 1.755 55.844 54.000 0.148 0.000 0.849 174 D CB -1.351 39.492 40.800 0.071 0.000 0.942 174 D HN 0.125 nan 8.370 nan 0.000 0.446 175 S N -0.887 114.713 115.700 -0.166 0.000 2.383 175 S HA -0.125 4.344 4.470 -0.001 0.000 0.229 175 S C 1.437 175.671 174.600 -0.611 0.000 1.030 175 S CA 1.210 58.898 58.200 -0.854 0.000 1.002 175 S CB -0.413 61.679 63.200 -1.847 0.000 0.829 175 S HN 0.485 nan 8.310 nan 0.000 0.467 176 W N 1.310 122.612 121.300 0.005 0.000 3.220 176 W HA 0.230 4.889 4.660 -0.001 0.000 0.328 176 W C 1.264 177.994 176.519 0.351 0.000 1.205 176 W CA -0.526 57.004 57.345 0.308 0.000 1.773 176 W CB -0.276 29.315 29.460 0.219 0.000 1.086 176 W HN 0.242 nan 8.180 nan 0.000 0.622 177 E N 0.976 121.466 120.200 0.483 0.000 2.360 177 E HA -0.300 4.049 4.350 -0.001 0.000 0.251 177 E C 2.205 179.126 176.600 0.534 0.000 1.042 177 E CA 2.421 59.139 56.400 0.530 0.000 1.063 177 E CB -1.364 28.566 29.700 0.384 0.000 0.970 177 E HN 0.317 nan 8.360 nan 0.000 0.513 178 G N -0.101 108.895 108.800 0.327 0.000 2.469 178 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.219 178 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.219 178 G C 1.429 176.345 174.900 0.025 0.000 1.150 178 G CA 1.182 46.347 45.100 0.108 0.000 0.763 178 G HN 0.323 nan 8.290 nan 0.000 0.561 179 W N -0.534 120.908 121.300 0.236 0.000 2.418 179 W HA 0.085 4.745 4.660 -0.001 0.000 0.292 179 W C 2.442 179.044 176.519 0.137 0.000 1.213 179 W CA 0.815 58.257 57.345 0.162 0.000 1.283 179 W CB -0.454 29.152 29.460 0.244 0.000 1.119 179 W HN 0.260 nan 8.180 nan 0.000 0.542 180 H N -1.164 118.066 119.070 0.266 0.000 2.284 180 H HA -0.155 4.400 4.556 -0.001 0.000 0.304 180 H C 1.284 176.515 175.328 -0.162 0.000 1.069 180 H CA 2.080 58.079 56.048 -0.081 0.000 1.327 180 H CB -0.830 28.755 29.762 -0.296 0.000 1.387 180 H HN 0.203 nan 8.280 nan 0.000 0.498 181 W N 0.311 121.809 121.300 0.329 0.000 2.905 181 W HA 0.200 4.859 4.660 -0.001 0.000 0.251 181 W C 2.226 178.891 176.519 0.243 0.000 1.305 181 W CA 0.536 58.044 57.345 0.272 0.000 1.465 181 W CB 0.201 29.837 29.460 0.294 0.000 1.122 181 W HN 0.305 nan 8.180 nan 0.000 0.659 182 G N -0.865 108.126 108.800 0.317 0.000 2.766 182 G HA2 0.113 4.072 3.960 -0.001 0.000 0.201 182 G HA3 0.113 4.072 3.960 -0.001 0.000 0.201 182 G C 1.603 176.531 174.900 0.047 0.000 1.177 182 G CA 0.359 45.576 45.100 0.196 0.000 0.773 182 G HN 0.162 nan 8.290 nan 0.000 0.648 183 G N 1.077 109.820 108.800 -0.094 0.000 2.442 183 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 183 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 183 G C 1.776 176.673 174.900 -0.004 0.000 1.141 183 G CA 1.288 46.268 45.100 -0.200 0.000 0.763 183 G HN 0.350 nan 8.290 nan 0.000 0.554 184 M N -0.044 119.575 119.600 0.032 0.000 2.144 184 M HA -0.138 4.341 4.480 -0.001 0.000 0.260 184 M C 2.282 178.496 176.300 -0.145 0.000 1.067 184 M CA 1.421 56.684 55.300 -0.062 0.000 1.095 184 M CB -0.266 32.112 32.600 -0.370 0.000 1.365 184 M HN 0.326 nan 8.290 nan 0.000 0.406 185 H N -1.209 117.862 119.070 0.002 0.000 2.495 185 H HA -0.083 4.472 4.556 -0.001 0.000 0.287 185 H C 1.889 177.221 175.328 0.006 0.000 1.033 185 H CA 1.551 57.597 56.048 -0.002 0.000 1.307 185 H CB -0.253 29.505 29.762 -0.007 0.000 1.401 185 H HN 0.533 nan 8.280 nan 0.000 0.555 186 M N 0.017 119.648 119.600 0.051 0.000 2.357 186 M HA -0.052 4.428 4.480 -0.001 0.000 0.266 186 M C 0.872 177.218 176.300 0.076 0.000 1.095 186 M CA 1.054 56.322 55.300 -0.053 0.000 1.156 186 M CB 0.454 32.859 32.600 -0.324 0.000 1.365 186 M HN 0.295 nan 8.290 nan 0.000 0.447 187 W N -0.425 120.831 121.300 -0.074 0.000 2.055 187 W HA 0.621 5.280 4.660 -0.001 0.000 0.293 187 W C 0.227 176.690 176.519 -0.094 0.000 0.886 187 W CA -0.316 56.988 57.345 -0.070 0.000 1.384 187 W CB -1.184 28.263 29.460 -0.021 0.000 1.068 187 W HN 0.430 nan 8.180 nan 0.000 0.513 188 G N 2.065 110.988 108.800 0.205 0.000 2.527 188 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.262 188 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.262 188 G C 0.310 175.078 174.900 -0.220 0.000 1.153 188 G CA 0.710 45.759 45.100 -0.084 0.000 0.954 188 G HN 0.601 nan 8.290 nan 0.000 0.552 189 F N 0.573 120.078 119.950 -0.742 0.000 3.091 189 F HA -0.232 4.295 4.527 -0.001 0.000 0.288 189 F C 2.266 177.369 175.800 -1.162 0.000 0.907 189 F CA 1.685 58.782 58.000 -1.505 0.000 1.028 189 F CB -1.883 36.446 39.000 -1.117 0.000 1.022 189 F HN 1.339 nan 8.300 nan 0.000 0.665 190 S N -0.161 115.198 115.700 -0.568 0.000 2.370 190 S HA -0.267 4.202 4.470 -0.001 0.000 0.226 190 S C 1.635 176.121 174.600 -0.190 0.000 1.033 190 S CA 1.481 59.517 58.200 -0.272 0.000 1.011 190 S CB -0.950 62.185 63.200 -0.108 0.000 0.852 190 S HN 0.732 nan 8.310 nan 0.000 0.457 191 W N 1.487 122.774 121.300 -0.023 0.000 2.538 191 W HA 0.244 4.903 4.660 -0.001 0.000 0.254 191 W C 1.745 178.259 176.519 -0.008 0.000 1.249 191 W CA 0.217 57.574 57.345 0.020 0.000 1.253 191 W CB -0.292 29.209 29.460 0.067 0.000 1.130 191 W HN 0.120 nan 8.180 nan 0.000 0.618 192 R N 0.725 120.895 120.500 -0.550 0.000 2.543 192 R HA 0.266 4.605 4.340 -0.001 0.000 0.323 192 R C 0.570 176.661 176.300 -0.349 0.000 1.002 192 R CA -0.184 55.689 56.100 -0.379 0.000 1.106 192 R CB -0.136 29.868 30.300 -0.493 0.000 1.280 192 R HN 0.187 nan 8.270 nan 0.000 0.549 193 L N 0.285 121.266 121.223 -0.402 0.000 3.737 193 L HA -0.320 4.019 4.340 -0.001 0.000 0.418 193 L C 0.815 177.610 176.870 -0.125 0.000 1.216 193 L CA 0.788 55.374 54.840 -0.424 0.000 0.915 193 L CB -1.875 39.547 42.059 -1.062 0.000 1.834 193 L HN 0.653 nan 8.230 nan 0.000 0.943 194 G N -2.382 106.372 108.800 -0.075 0.000 2.232 194 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.226 194 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.226 194 G C 0.269 175.314 174.900 0.242 0.000 0.996 194 G CA 0.187 45.430 45.100 0.238 0.000 0.626 194 G HN 0.383 nan 8.290 nan 0.000 0.509 195 N N 2.393 121.019 118.700 -0.123 0.000 2.513 195 N HA 0.517 5.257 4.740 -0.001 0.000 0.274 195 N C -2.287 172.657 175.510 -0.944 0.000 1.189 195 N CA -1.057 51.689 53.050 -0.508 0.000 0.975 195 N CB 1.421 39.607 38.487 -0.502 0.000 1.157 195 N HN 0.283 nan 8.380 nan 0.000 0.465 196 P HA 0.173 nan 4.420 nan 0.000 0.282 196 P C -0.602 176.196 177.300 -0.838 0.000 1.259 196 P CA -0.458 61.695 63.100 -1.579 0.000 0.826 196 P CB 1.091 32.175 31.700 -1.027 0.000 1.064 197 E N 1.039 120.925 120.200 -0.524 0.000 2.392 197 E HA 0.095 4.444 4.350 -0.001 0.000 0.259 197 E C 0.145 176.608 176.600 -0.229 0.000 1.108 197 E CA -0.518 55.771 56.400 -0.185 0.000 0.916 197 E CB 0.278 30.166 29.700 0.313 0.000 0.989 197 E HN 0.294 nan 8.360 nan 0.000 0.432 198 Q N 0.800 120.385 119.800 -0.359 0.000 2.103 198 Q HA 0.082 4.421 4.340 -0.001 0.000 0.219 198 Q C -0.856 175.024 176.000 -0.201 0.000 0.784 198 Q CA -0.315 55.350 55.803 -0.230 0.000 1.014 198 Q CB 0.252 28.859 28.738 -0.218 0.000 1.183 198 Q HN 0.562 nan 8.270 nan 0.000 0.469 199 Y N 2.395 122.629 120.300 -0.110 0.000 2.969 199 Y HA -0.188 4.361 4.550 -0.001 0.000 0.339 199 Y C 0.950 176.866 175.900 0.027 0.000 1.272 199 Y CA 0.688 58.730 58.100 -0.096 0.000 1.577 199 Y CB 0.143 38.527 38.460 -0.127 0.000 1.234 199 Y HN 0.166 nan 8.280 nan 0.000 0.590 200 D N 1.654 122.227 120.400 0.288 0.000 2.792 200 D HA -0.262 4.377 4.640 -0.001 0.000 0.231 200 D C 0.844 177.085 176.300 -0.099 0.000 1.160 200 D CA 0.842 54.912 54.000 0.117 0.000 0.697 200 D CB -0.852 40.049 40.800 0.169 0.000 1.070 200 D HN 0.656 nan 8.370 nan 0.000 0.426 201 L N -0.572 120.502 121.223 -0.249 0.000 2.270 201 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 201 L C 2.445 178.717 176.870 -0.996 0.000 1.104 201 L CA 0.161 54.613 54.840 -0.646 0.000 0.804 201 L CB -0.114 41.376 42.059 -0.949 0.000 0.937 201 L HN 0.150 nan 8.230 nan 0.000 0.450 202 L N 0.618 121.485 121.223 -0.593 0.000 1.989 202 L HA -0.262 4.078 4.340 -0.001 0.000 0.211 202 L C 2.438 179.085 176.870 -0.371 0.000 1.071 202 L CA 2.110 56.711 54.840 -0.399 0.000 0.749 202 L CB -0.560 41.444 42.059 -0.092 0.000 0.890 202 L HN 0.311 nan 8.230 nan 0.000 0.431 203 E N -1.040 118.992 120.200 -0.281 0.000 2.110 203 E HA -0.295 4.054 4.350 -0.001 0.000 0.193 203 E C 1.889 178.362 176.600 -0.211 0.000 0.988 203 E CA 1.491 57.774 56.400 -0.195 0.000 0.804 203 E CB -0.211 29.415 29.700 -0.124 0.000 0.745 203 E HN 0.657 nan 8.360 nan 0.000 0.458 204 D N -0.672 119.586 120.400 -0.237 0.000 2.097 204 D HA -0.107 4.532 4.640 -0.001 0.000 0.195 204 D C 1.902 178.107 176.300 -0.157 0.000 0.989 204 D CA 1.751 55.692 54.000 -0.098 0.000 0.827 204 D CB -0.498 40.266 40.800 -0.060 0.000 0.966 204 D HN 0.296 nan 8.370 nan 0.000 0.456 205 G N 0.107 108.570 108.800 -0.562 0.000 2.402 205 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.216 205 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.216 205 G C 1.712 176.503 174.900 -0.181 0.000 1.162 205 G CA 0.481 45.226 45.100 -0.592 0.000 0.777 205 G HN 0.328 nan 8.290 nan 0.000 0.539 206 L N -0.254 120.851 121.223 -0.196 0.000 2.131 206 L HA -0.023 4.316 4.340 -0.001 0.000 0.210 206 L C 2.881 179.668 176.870 -0.137 0.000 1.092 206 L CA 1.085 55.823 54.840 -0.170 0.000 0.759 206 L CB -0.170 41.702 42.059 -0.311 0.000 0.903 206 L HN 0.193 nan 8.230 nan 0.000 0.435 207 K N -1.420 118.846 120.400 -0.223 0.000 2.137 207 K HA -0.007 4.312 4.320 -0.001 0.000 0.202 207 K C 1.581 177.905 176.600 -0.459 0.000 1.052 207 K CA 0.732 56.784 56.287 -0.391 0.000 0.961 207 K CB 0.185 32.292 32.500 -0.656 0.000 0.741 207 K HN 0.398 nan 8.250 nan 0.000 0.452 208 H N -1.085 118.039 119.070 0.090 0.000 3.255 208 H HA 0.272 4.828 4.556 -0.001 0.000 0.256 208 H C 0.237 175.699 175.328 0.223 0.000 1.049 208 H CA -0.143 55.991 56.048 0.143 0.000 1.202 208 H CB 0.340 30.192 29.762 0.150 0.000 1.497 208 H HN 0.019 nan 8.280 nan 0.000 0.503 209 A N 1.635 124.674 122.820 0.366 0.000 2.540 209 A HA 0.055 4.374 4.320 -0.001 0.000 0.239 209 A C 0.805 178.544 177.584 0.258 0.000 1.061 209 A CA 0.357 52.644 52.037 0.416 0.000 0.758 209 A CB 0.400 19.585 19.000 0.310 0.000 0.991 209 A HN 0.458 nan 8.150 nan 0.000 0.502 210 E N 0.780 121.121 120.200 0.235 0.000 2.441 210 E HA 0.252 4.601 4.350 -0.001 0.000 0.212 210 E C 0.004 176.683 176.600 0.132 0.000 0.840 210 E CA 0.222 56.712 56.400 0.150 0.000 1.143 210 E CB 0.585 30.358 29.700 0.122 0.000 1.153 210 E HN 0.800 nan 8.360 nan 0.000 0.539 211 M N 1.052 120.744 119.600 0.154 0.000 2.471 211 M HA 0.419 4.898 4.480 -0.001 0.000 0.284 211 M C -2.186 174.162 176.300 0.080 0.000 1.203 211 M CA -0.420 54.945 55.300 0.107 0.000 0.915 211 M CB 2.276 34.897 32.600 0.035 0.000 1.734 211 M HN -0.137 nan 8.290 nan 0.000 0.485 212 I N 3.860 124.449 120.570 0.031 0.000 2.499 212 I HA 0.447 4.616 4.170 -0.001 0.000 0.288 212 I C -1.063 174.764 176.117 -0.484 0.000 1.048 212 I CA -1.035 60.111 61.300 -0.256 0.000 1.062 212 I CB 2.231 39.967 38.000 -0.440 0.000 1.238 212 I HN 0.374 nan 8.210 nan 0.000 0.426 213 V N 6.585 126.145 119.914 -0.591 0.000 2.318 213 V HA 0.290 4.409 4.120 -0.001 0.000 0.271 213 V C -0.422 175.376 176.094 -0.493 0.000 1.030 213 V CA -0.380 61.613 62.300 -0.512 0.000 0.844 213 V CB 0.487 31.969 31.823 -0.569 0.000 1.015 213 V HN 0.378 nan 8.190 nan 0.000 0.460 214 F N 4.521 124.200 119.950 -0.451 0.000 2.405 214 F HA 0.296 4.823 4.527 -0.001 0.000 0.358 214 F C 0.172 175.964 175.800 -0.014 0.000 1.151 214 F CA -0.207 57.571 58.000 -0.371 0.000 1.161 214 F CB 0.508 38.934 39.000 -0.956 0.000 1.245 214 F HN 0.499 nan 8.300 nan 0.000 0.545 215 W N 4.038 125.452 121.300 0.189 0.000 2.294 215 W HA 0.274 4.933 4.660 -0.001 0.000 0.314 215 W C 0.700 177.466 176.519 0.412 0.000 1.044 215 W CA -1.153 56.407 57.345 0.358 0.000 1.284 215 W CB 1.388 31.138 29.460 0.484 0.000 1.231 215 W HN 0.515 nan 8.180 nan 0.000 0.419 216 S N 3.518 119.580 115.700 0.604 0.000 3.682 216 S HA -0.225 4.244 4.470 -0.001 0.000 0.354 216 S C -0.277 174.508 174.600 0.308 0.000 1.034 216 S CA 1.390 59.782 58.200 0.320 0.000 1.084 216 S CB -1.234 61.952 63.200 -0.024 0.000 0.903 216 S HN 0.560 nan 8.310 nan 0.000 0.470 217 S N 0.810 116.715 115.700 0.341 0.000 2.647 217 S HA 0.584 5.053 4.470 -0.001 0.000 0.300 217 S C -1.303 173.433 174.600 0.226 0.000 1.129 217 S CA -0.450 57.923 58.200 0.287 0.000 1.029 217 S CB 1.703 65.122 63.200 0.364 0.000 1.007 217 S HN 0.402 nan 8.310 nan 0.000 0.484 218 D N 5.266 125.740 120.400 0.122 0.000 2.513 218 D HA 0.406 5.045 4.640 -0.001 0.000 0.295 218 D C -1.966 174.333 176.300 -0.001 0.000 1.202 218 D CA -2.011 52.017 54.000 0.047 0.000 0.849 218 D CB 1.393 42.225 40.800 0.053 0.000 1.116 218 D HN 0.227 nan 8.370 nan 0.000 0.502 219 P HA -0.160 nan 4.420 nan 0.000 0.216 219 P C 1.292 178.561 177.300 -0.052 0.000 1.154 219 P CA 1.001 64.061 63.100 -0.066 0.000 0.865 219 P CB 0.504 32.132 31.700 -0.120 0.000 0.789 220 E N -0.917 119.262 120.200 -0.035 0.000 2.058 220 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 220 E C 2.005 178.651 176.600 0.077 0.000 0.997 220 E CA 1.530 57.971 56.400 0.069 0.000 0.801 220 E CB -1.282 28.446 29.700 0.047 0.000 0.746 220 E HN 0.282 nan 8.360 nan 0.000 0.450 221 T N 1.931 116.500 114.554 0.025 0.000 2.668 221 T HA -0.052 4.298 4.350 -0.001 0.000 0.262 221 T C 1.605 176.249 174.700 -0.092 0.000 1.045 221 T CA 1.110 63.193 62.100 -0.028 0.000 1.152 221 T CB -0.141 68.752 68.868 0.042 0.000 0.864 221 T HN 0.149 nan 8.240 nan 0.000 0.419 222 N N 1.097 119.753 118.700 -0.074 0.000 2.376 222 N HA -0.044 4.695 4.740 -0.001 0.000 0.177 222 N C 1.280 176.728 175.510 -0.102 0.000 1.024 222 N CA 1.097 54.091 53.050 -0.093 0.000 0.893 222 N CB -0.026 38.413 38.487 -0.080 0.000 0.980 222 N HN 0.537 nan 8.380 nan 0.000 0.439 223 S N -1.147 114.488 115.700 -0.108 0.000 3.358 223 S HA -0.239 4.230 4.470 -0.001 0.000 0.309 223 S C 1.117 175.656 174.600 -0.101 0.000 1.247 223 S CA 1.980 60.105 58.200 -0.125 0.000 0.961 223 S CB -2.009 61.077 63.200 -0.189 0.000 1.074 223 S HN 0.781 nan 8.310 nan 0.000 0.625 224 G N 1.133 109.892 108.800 -0.068 0.000 5.347 224 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.299 224 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.299 224 G C 0.041 174.954 174.900 0.022 0.000 1.492 224 G CA 0.154 45.217 45.100 -0.062 0.000 0.991 224 G HN 1.966 nan 8.290 nan 0.000 0.749 225 I N -1.799 118.733 120.570 -0.062 0.000 2.718 225 I HA 0.369 4.538 4.170 -0.001 0.000 0.287 225 I C 0.427 176.456 176.117 -0.146 0.000 1.645 225 I CA -0.224 60.962 61.300 -0.190 0.000 1.030 225 I CB 0.573 38.428 38.000 -0.243 0.000 1.470 225 I HN 1.156 nan 8.210 nan 0.000 0.455 226 Y N 3.430 123.755 120.300 0.042 0.000 4.753 226 Y HA -0.314 4.236 4.550 -0.001 0.000 0.232 226 Y C 1.036 176.937 175.900 0.002 0.000 1.029 226 Y CA 0.674 58.755 58.100 -0.032 0.000 1.996 226 Y CB -1.669 36.739 38.460 -0.087 0.000 1.602 226 Y HN 0.660 nan 8.280 nan 0.000 0.621 227 A N 0.077 122.931 122.820 0.058 0.000 2.574 227 A HA 0.595 4.914 4.320 -0.001 0.000 0.283 227 A C 1.678 179.255 177.584 -0.011 0.000 1.270 227 A CA 0.833 52.839 52.037 -0.051 0.000 0.945 227 A CB -0.618 18.262 19.000 -0.201 0.000 1.127 227 A HN 1.161 nan 8.150 nan 0.000 0.522 228 G N 0.596 109.348 108.800 -0.080 0.000 2.690 228 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.334 228 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.334 228 G C 0.294 174.813 174.900 -0.636 0.000 1.250 228 G CA 1.395 46.284 45.100 -0.351 0.000 0.994 228 G HN 0.752 nan 8.290 nan 0.000 0.549 229 F N 1.591 121.535 119.950 -0.010 0.000 2.835 229 F HA 0.372 4.898 4.527 -0.001 0.000 0.342 229 F C 1.678 177.452 175.800 -0.043 0.000 1.202 229 F CA -0.039 57.931 58.000 -0.051 0.000 1.240 229 F CB 1.024 39.980 39.000 -0.074 0.000 1.005 229 F HN 0.235 nan 8.300 nan 0.000 0.507 230 E N 0.280 120.528 120.200 0.080 0.000 2.118 230 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 230 E C 2.198 178.800 176.600 0.004 0.000 0.992 230 E CA 1.744 58.175 56.400 0.051 0.000 0.804 230 E CB -0.168 29.526 29.700 -0.009 0.000 0.741 230 E HN 0.422 nan 8.360 nan 0.000 0.458 231 S N 0.674 116.362 115.700 -0.021 0.000 2.558 231 S HA -0.027 4.442 4.470 -0.001 0.000 0.217 231 S C 1.591 176.132 174.600 -0.098 0.000 0.975 231 S CA 0.284 58.446 58.200 -0.063 0.000 0.912 231 S CB -0.126 63.025 63.200 -0.082 0.000 0.776 231 S HN 0.153 nan 8.310 nan 0.000 0.526 232 N N 2.335 121.002 118.700 -0.055 0.000 2.061 232 N HA -0.158 4.581 4.740 -0.001 0.000 0.193 232 N C 1.655 177.056 175.510 -0.182 0.000 1.030 232 N CA 1.804 54.803 53.050 -0.086 0.000 0.856 232 N CB -0.414 38.040 38.487 -0.055 0.000 1.023 232 N HN 0.609 nan 8.380 nan 0.000 0.424 233 I N 0.828 121.230 120.570 -0.280 0.000 2.493 233 I HA -0.191 3.978 4.170 -0.001 0.000 0.254 233 I C 2.266 177.851 176.117 -0.887 0.000 1.160 233 I CA 0.731 61.711 61.300 -0.534 0.000 1.445 233 I CB -0.018 37.632 38.000 -0.583 0.000 1.086 233 I HN 0.167 nan 8.210 nan 0.000 0.433 234 R N 0.173 120.297 120.500 -0.628 0.000 2.075 234 R HA -0.116 4.223 4.340 -0.001 0.000 0.232 234 R C 2.347 178.613 176.300 -0.057 0.000 1.126 234 R CA 1.203 57.083 56.100 -0.366 0.000 0.963 234 R CB -0.343 29.911 30.300 -0.077 0.000 0.858 234 R HN 0.330 nan 8.270 nan 0.000 0.435 235 R N 0.284 120.755 120.500 -0.049 0.000 2.148 235 R HA -0.126 4.213 4.340 -0.001 0.000 0.227 235 R C 2.280 178.716 176.300 0.227 0.000 1.103 235 R CA 1.078 57.258 56.100 0.134 0.000 0.983 235 R CB -0.064 30.250 30.300 0.023 0.000 0.874 235 R HN 0.114 nan 8.270 nan 0.000 0.451 236 Q N 0.028 119.856 119.800 0.046 0.000 2.084 236 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 236 Q C 1.473 177.606 176.000 0.221 0.000 0.978 236 Q CA 1.574 57.423 55.803 0.077 0.000 0.844 236 Q CB -0.121 28.594 28.738 -0.038 0.000 0.898 236 Q HN 0.286 nan 8.270 nan 0.000 0.426 237 W N 0.403 121.789 121.300 0.143 0.000 2.335 237 W HA -0.123 4.536 4.660 -0.001 0.000 0.311 237 W C 1.999 178.574 176.519 0.094 0.000 1.213 237 W CA 0.780 58.212 57.345 0.145 0.000 1.274 237 W CB -1.141 28.320 29.460 0.001 0.000 1.148 237 W HN 0.241 nan 8.180 nan 0.000 0.498 238 L N 0.203 121.631 121.223 0.342 0.000 2.017 238 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 238 L C 2.578 179.526 176.870 0.130 0.000 1.073 238 L CA 1.770 56.770 54.840 0.267 0.000 0.745 238 L CB -1.008 41.305 42.059 0.423 0.000 0.894 238 L HN -0.070 nan 8.230 nan 0.000 0.432 239 K N 0.186 120.638 120.400 0.087 0.000 2.032 239 K HA -0.223 4.096 4.320 -0.001 0.000 0.209 239 K C 1.662 178.249 176.600 -0.021 0.000 1.048 239 K CA 1.959 58.161 56.287 -0.142 0.000 0.927 239 K CB -0.069 32.398 32.500 -0.054 0.000 0.712 239 K HN 0.281 nan 8.250 nan 0.000 0.441 240 D N 0.716 121.175 120.400 0.099 0.000 2.263 240 D HA -0.134 4.505 4.640 -0.001 0.000 0.208 240 D C 1.653 178.021 176.300 0.115 0.000 0.971 240 D CA 0.840 54.912 54.000 0.119 0.000 0.867 240 D CB 0.045 40.964 40.800 0.198 0.000 0.929 240 D HN 0.300 nan 8.370 nan 0.000 0.492 241 L N -0.395 120.905 121.223 0.129 0.000 2.599 241 L HA 0.122 4.461 4.340 -0.001 0.000 0.230 241 L C 1.459 178.368 176.870 0.064 0.000 1.141 241 L CA 0.348 55.259 54.840 0.118 0.000 0.877 241 L CB -0.039 42.104 42.059 0.140 0.000 1.009 241 L HN 0.112 nan 8.230 nan 0.000 0.447 242 G N -0.255 108.557 108.800 0.019 0.000 2.141 242 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.242 242 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.242 242 G C 0.245 175.121 174.900 -0.040 0.000 0.982 242 G CA -0.004 45.089 45.100 -0.011 0.000 0.662 242 G HN 0.085 nan 8.290 nan 0.000 0.527 243 V N 1.748 121.623 119.914 -0.065 0.000 2.572 243 V HA 0.282 4.401 4.120 -0.001 0.000 0.291 243 V C 0.418 176.364 176.094 -0.247 0.000 1.039 243 V CA -0.292 61.973 62.300 -0.058 0.000 1.055 243 V CB 1.139 33.006 31.823 0.072 0.000 0.969 243 V HN 0.288 nan 8.190 nan 0.000 0.482 244 D N 4.272 124.627 120.400 -0.075 0.000 2.255 244 D HA 0.368 5.007 4.640 -0.001 0.000 0.249 244 D C -0.446 175.959 176.300 0.175 0.000 1.078 244 D CA 0.232 54.199 54.000 -0.054 0.000 0.896 244 D CB 1.086 41.902 40.800 0.027 0.000 1.194 244 D HN 0.401 nan 8.370 nan 0.000 0.429 245 F N 1.158 121.175 119.950 0.111 0.000 2.427 245 F HA 0.316 4.842 4.527 -0.001 0.000 0.348 245 F C 0.049 175.924 175.800 0.125 0.000 1.125 245 F CA -1.050 57.047 58.000 0.162 0.000 0.989 245 F CB 1.591 40.809 39.000 0.363 0.000 1.165 245 F HN -0.146 nan 8.300 nan 0.000 0.442 246 V N 4.493 124.476 119.914 0.116 0.000 2.459 246 V HA 0.379 4.499 4.120 -0.001 0.000 0.295 246 V C -0.640 175.358 176.094 -0.159 0.000 1.029 246 V CA -0.766 61.520 62.300 -0.023 0.000 0.874 246 V CB 1.753 33.461 31.823 -0.191 0.000 0.985 246 V HN 0.436 nan 8.190 nan 0.000 0.438 247 F N 4.741 124.685 119.950 -0.011 0.000 2.467 247 F HA 0.621 5.147 4.527 -0.001 0.000 0.336 247 F C 0.133 175.948 175.800 0.025 0.000 1.123 247 F CA -0.677 57.372 58.000 0.081 0.000 0.964 247 F CB 1.585 40.657 39.000 0.119 0.000 1.136 247 F HN 0.230 nan 8.300 nan 0.000 0.447 248 I N 3.739 124.366 120.570 0.096 0.000 2.359 248 I HA 0.347 4.516 4.170 -0.001 0.000 0.284 248 I C -1.095 175.126 176.117 0.173 0.000 1.018 248 I CA -0.246 61.029 61.300 -0.041 0.000 1.173 248 I CB 1.171 38.759 38.000 -0.686 0.000 1.326 248 I HN 0.470 nan 8.210 nan 0.000 0.462 249 D N 7.971 128.558 120.400 0.313 0.000 2.878 249 D HA 0.216 4.855 4.640 -0.001 0.000 0.211 249 D C -2.401 174.154 176.300 0.426 0.000 1.271 249 D CA -1.440 52.778 54.000 0.363 0.000 0.845 249 D CB 3.229 44.251 40.800 0.370 0.000 1.679 249 D HN 0.013 nan 8.370 nan 0.000 0.536 250 P HA -0.101 nan 4.420 nan 0.000 0.217 250 P C -0.070 177.503 177.300 0.454 0.000 1.148 250 P CA 1.141 64.408 63.100 0.278 0.000 0.828 250 P CB 0.022 31.838 31.700 0.194 0.000 0.783 251 H N -0.927 118.316 119.070 0.288 0.000 2.466 251 H HA 0.338 4.893 4.556 -0.001 0.000 0.338 251 H C -0.351 174.917 175.328 -0.099 0.000 1.091 251 H CA -1.127 54.974 56.048 0.089 0.000 1.207 251 H CB 0.782 30.452 29.762 -0.154 0.000 1.466 251 H HN -0.161 nan 8.280 nan 0.000 0.493 252 M N 6.148 125.157 119.600 -0.985 0.000 2.869 252 M HA -0.021 4.459 4.480 -0.001 0.000 0.299 252 M C -0.368 175.077 176.300 -1.424 0.000 1.508 252 M CA -0.358 53.933 55.300 -1.682 0.000 1.551 252 M CB -0.756 30.591 32.600 -2.088 0.000 1.384 252 M HN 0.662 nan 8.290 nan 0.000 0.491 253 N N 2.124 120.221 118.700 -1.005 0.000 2.260 253 N HA -0.058 4.681 4.740 -0.001 0.000 0.230 253 N C 0.619 175.663 175.510 -0.776 0.000 1.323 253 N CA 0.215 52.766 53.050 -0.831 0.000 0.897 253 N CB 0.275 38.561 38.487 -0.334 0.000 1.146 253 N HN 0.448 nan 8.380 nan 0.000 0.460 254 H N -1.138 117.746 119.070 -0.310 0.000 2.421 254 H HA -0.064 4.491 4.556 -0.001 0.000 0.298 254 H C 1.295 176.424 175.328 -0.332 0.000 1.087 254 H CA 1.934 57.818 56.048 -0.273 0.000 1.330 254 H CB -0.569 29.099 29.762 -0.155 0.000 1.388 254 H HN 0.636 nan 8.280 nan 0.000 0.526 255 T N 0.886 115.270 114.554 -0.283 0.000 2.777 255 T HA -0.029 4.320 4.350 -0.001 0.000 0.266 255 T C 2.378 176.625 174.700 -0.755 0.000 1.040 255 T CA 1.093 62.962 62.100 -0.385 0.000 1.141 255 T CB -0.315 68.368 68.868 -0.307 0.000 0.868 255 T HN 0.442 nan 8.240 nan 0.000 0.444 256 A N 1.982 124.090 122.820 -1.186 0.000 1.902 256 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 256 A C 2.351 179.460 177.584 -0.791 0.000 1.181 256 A CA 1.325 52.445 52.037 -1.528 0.000 0.623 256 A CB -0.496 17.688 19.000 -1.361 0.000 0.818 256 A HN 0.412 nan 8.150 nan 0.000 0.443 257 R N -1.354 118.777 120.500 -0.615 0.000 2.152 257 R HA -0.071 4.268 4.340 -0.001 0.000 0.232 257 R C 1.958 178.091 176.300 -0.279 0.000 1.117 257 R CA 1.304 57.158 56.100 -0.411 0.000 0.981 257 R CB -0.357 29.745 30.300 -0.329 0.000 0.870 257 R HN 0.502 nan 8.270 nan 0.000 0.451 258 L N -0.150 120.907 121.223 -0.277 0.000 2.145 258 L HA -0.023 4.316 4.340 -0.001 0.000 0.201 258 L C 1.484 178.282 176.870 -0.120 0.000 1.075 258 L CA 1.253 55.988 54.840 -0.175 0.000 0.773 258 L CB 0.526 42.493 42.059 -0.155 0.000 0.936 258 L HN 0.036 nan 8.230 nan 0.000 0.451 259 V N -3.566 116.274 119.914 -0.122 0.000 3.199 259 V HA 0.619 4.738 4.120 -0.001 0.000 0.331 259 V C 0.614 176.825 176.094 0.195 0.000 1.446 259 V CA -0.250 62.094 62.300 0.074 0.000 1.120 259 V CB -0.711 31.281 31.823 0.283 0.000 1.051 259 V HN 0.219 nan 8.190 nan 0.000 0.495 260 A N 0.486 123.288 122.820 -0.030 0.000 2.477 260 A HA 0.400 4.719 4.320 -0.001 0.000 0.246 260 A C 0.905 178.594 177.584 0.175 0.000 1.078 260 A CA 0.509 52.639 52.037 0.155 0.000 0.770 260 A CB 0.128 19.041 19.000 -0.144 0.000 1.011 260 A HN 0.451 nan 8.150 nan 0.000 0.494 261 D N -0.008 120.542 120.400 0.251 0.000 2.301 261 D HA 0.115 4.754 4.640 -0.001 0.000 0.206 261 D C 0.199 176.570 176.300 0.118 0.000 0.979 261 D CA 1.091 55.171 54.000 0.134 0.000 0.874 261 D CB 0.426 41.289 40.800 0.105 0.000 0.968 261 D HN 0.477 nan 8.370 nan 0.000 0.510 262 K N -0.340 120.149 120.400 0.149 0.000 2.557 262 K HA 0.283 4.602 4.320 -0.001 0.000 0.261 262 K C -2.373 174.304 176.600 0.128 0.000 0.932 262 K CA -0.723 55.614 56.287 0.084 0.000 0.829 262 K CB 1.630 34.102 32.500 -0.047 0.000 1.358 262 K HN -0.110 nan 8.250 nan 0.000 0.430 263 W N 6.125 127.380 121.300 -0.075 0.000 2.839 263 W HA 0.661 5.321 4.660 -0.001 0.000 0.334 263 W C -1.922 174.653 176.519 0.093 0.000 1.064 263 W CA -0.972 56.347 57.345 -0.044 0.000 1.236 263 W CB 0.956 30.398 29.460 -0.030 0.000 1.405 263 W HN 0.315 nan 8.180 nan 0.000 0.478 264 F N 4.043 123.733 119.950 -0.434 0.000 2.469 264 F HA 0.466 4.992 4.527 -0.001 0.000 0.332 264 F C 0.350 175.660 175.800 -0.817 0.000 1.103 264 F CA -1.787 55.861 58.000 -0.586 0.000 0.979 264 F CB 2.009 40.831 39.000 -0.297 0.000 1.137 264 F HN 0.269 nan 8.300 nan 0.000 0.463 265 S N 5.542 120.879 115.700 -0.605 0.000 2.269 265 S HA 0.434 4.903 4.470 -0.001 0.000 0.194 265 S C -2.757 171.748 174.600 -0.158 0.000 1.547 265 S CA -1.500 56.471 58.200 -0.382 0.000 1.186 265 S CB 0.023 62.900 63.200 -0.539 0.000 1.069 265 S HN 0.282 nan 8.310 nan 0.000 0.473 266 P HA 0.231 nan 4.420 nan 0.000 0.274 266 P C -0.561 176.740 177.300 0.001 0.000 1.231 266 P CA -0.501 62.586 63.100 -0.022 0.000 0.790 266 P CB 0.751 32.492 31.700 0.068 0.000 0.951 267 K N 1.736 122.120 120.400 -0.027 0.000 2.380 267 K HA 0.133 4.452 4.320 -0.001 0.000 0.267 267 K C 0.817 177.401 176.600 -0.027 0.000 0.990 267 K CA -0.353 55.918 56.287 -0.028 0.000 0.946 267 K CB -0.047 32.422 32.500 -0.051 0.000 0.937 267 K HN 0.495 nan 8.250 nan 0.000 0.491 268 I N -1.222 119.324 120.570 -0.040 0.000 2.775 268 I HA 0.034 4.203 4.170 -0.001 0.000 0.290 268 I C 0.984 176.981 176.117 -0.201 0.000 1.203 268 I CA 0.419 61.664 61.300 -0.091 0.000 1.433 268 I CB -0.185 37.771 38.000 -0.074 0.000 1.354 268 I HN 0.841 nan 8.210 nan 0.000 0.579 269 G N 3.517 112.012 108.800 -0.508 0.000 2.179 269 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.257 269 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.257 269 G C 0.515 175.217 174.900 -0.330 0.000 1.010 269 G CA 0.580 45.122 45.100 -0.931 0.000 0.736 269 G HN 1.358 nan 8.290 nan 0.000 0.513 270 T N -3.867 110.646 114.554 -0.068 0.000 3.145 270 T HA 0.293 4.642 4.350 -0.001 0.000 0.281 270 T C 1.211 176.162 174.700 0.418 0.000 1.003 270 T CA 0.786 63.016 62.100 0.217 0.000 0.901 270 T CB 0.378 69.291 68.868 0.076 0.000 1.112 270 T HN 0.137 nan 8.240 nan 0.000 0.535 271 D N 2.544 123.315 120.400 0.619 0.000 2.149 271 D HA -0.180 4.459 4.640 -0.001 0.000 0.198 271 D C 1.921 178.746 176.300 0.875 0.000 0.990 271 D CA 1.675 56.170 54.000 0.824 0.000 0.839 271 D CB -0.162 41.188 40.800 0.918 0.000 0.948 271 D HN 0.725 nan 8.370 nan 0.000 0.460 272 H N 0.394 119.867 119.070 0.672 0.000 2.545 272 H HA 0.189 4.744 4.556 -0.001 0.000 0.282 272 H C 1.764 177.558 175.328 0.778 0.000 1.020 272 H CA 0.895 57.313 56.048 0.618 0.000 1.243 272 H CB -0.548 29.588 29.762 0.624 0.000 1.377 272 H HN 0.053 nan 8.280 nan 0.000 0.581 273 A N 1.893 124.992 122.820 0.465 0.000 1.929 273 A HA 0.046 4.365 4.320 -0.001 0.000 0.216 273 A C 2.697 180.465 177.584 0.307 0.000 1.176 273 A CA 0.794 52.923 52.037 0.153 0.000 0.628 273 A CB -0.639 18.074 19.000 -0.479 0.000 0.816 273 A HN 0.342 nan 8.150 nan 0.000 0.444 274 L N 0.454 121.886 121.223 0.349 0.000 2.027 274 L HA -0.166 4.173 4.340 -0.001 0.000 0.206 274 L C 3.033 180.170 176.870 0.444 0.000 1.074 274 L CA 1.687 56.748 54.840 0.368 0.000 0.745 274 L CB -0.726 41.607 42.059 0.456 0.000 0.898 274 L HN 0.600 nan 8.230 nan 0.000 0.433 275 S N -0.346 115.660 115.700 0.509 0.000 2.399 275 S HA -0.173 4.297 4.470 -0.001 0.000 0.231 275 S C 1.898 176.563 174.600 0.108 0.000 1.022 275 S CA 1.011 59.353 58.200 0.236 0.000 0.983 275 S CB -0.844 62.338 63.200 -0.030 0.000 0.803 275 S HN 0.298 nan 8.310 nan 0.000 0.480 276 F N 2.144 122.273 119.950 0.297 0.000 2.206 276 F HA 0.148 4.674 4.527 -0.001 0.000 0.298 276 F C 2.851 178.702 175.800 0.085 0.000 1.090 276 F CA 0.735 58.851 58.000 0.194 0.000 1.323 276 F CB -0.407 38.706 39.000 0.189 0.000 1.028 276 F HN 0.316 nan 8.300 nan 0.000 0.492 277 A N 0.000 123.013 122.820 0.322 0.000 2.014 277 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 277 A C 2.103 179.727 177.584 0.067 0.000 1.163 277 A CA 1.122 53.273 52.037 0.189 0.000 0.652 277 A CB -0.862 18.243 19.000 0.175 0.000 0.808 277 A HN 0.408 nan 8.150 nan 0.000 0.449 278 I N -0.453 120.077 120.570 -0.066 0.000 2.286 278 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 278 I C 2.922 178.578 176.117 -0.769 0.000 1.104 278 I CA 0.947 61.978 61.300 -0.449 0.000 1.397 278 I CB -0.249 37.422 38.000 -0.549 0.000 1.072 278 I HN 0.342 nan 8.210 nan 0.000 0.417 279 A N 0.167 122.743 122.820 -0.407 0.000 1.930 279 A HA -0.275 4.044 4.320 -0.001 0.000 0.217 279 A C 2.283 179.847 177.584 -0.033 0.000 1.175 279 A CA 1.384 53.326 52.037 -0.158 0.000 0.627 279 A CB -0.994 18.116 19.000 0.183 0.000 0.815 279 A HN 0.522 nan 8.150 nan 0.000 0.443 280 Y N 1.352 121.576 120.300 -0.127 0.000 2.128 280 Y HA -0.219 4.330 4.550 -0.001 0.000 0.284 280 Y C 2.601 178.475 175.900 -0.042 0.000 1.154 280 Y CA 2.441 60.475 58.100 -0.110 0.000 1.149 280 Y CB -0.715 37.671 38.460 -0.124 0.000 0.976 280 Y HN 0.304 nan 8.280 nan 0.000 0.505 281 T N -0.039 114.529 114.554 0.023 0.000 2.720 281 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 281 T C 1.430 176.204 174.700 0.123 0.000 1.037 281 T CA 1.716 63.829 62.100 0.022 0.000 1.144 281 T CB -0.529 68.367 68.868 0.047 0.000 0.864 281 T HN 0.482 nan 8.240 nan 0.000 0.444 282 W N 1.334 122.642 121.300 0.013 0.000 2.358 282 W HA 0.148 4.807 4.660 -0.001 0.000 0.303 282 W C 2.085 178.668 176.519 0.106 0.000 1.208 282 W CA -0.035 57.350 57.345 0.067 0.000 1.274 282 W CB -1.412 28.074 29.460 0.044 0.000 1.138 282 W HN 0.279 nan 8.180 nan 0.000 0.515 283 L N 0.197 121.535 121.223 0.193 0.000 2.046 283 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 283 L C 2.576 179.467 176.870 0.034 0.000 1.077 283 L CA 1.198 56.105 54.840 0.112 0.000 0.747 283 L CB -0.782 41.232 42.059 -0.075 0.000 0.896 283 L HN -0.206 nan 8.230 nan 0.000 0.432 284 K N 0.302 120.610 120.400 -0.154 0.000 2.148 284 K HA -0.108 4.211 4.320 -0.001 0.000 0.204 284 K C 1.492 178.076 176.600 -0.027 0.000 1.050 284 K CA 1.187 57.367 56.287 -0.179 0.000 0.942 284 K CB -0.008 32.266 32.500 -0.376 0.000 0.724 284 K HN 0.442 nan 8.250 nan 0.000 0.446 285 E N 0.324 120.558 120.200 0.056 0.000 2.476 285 E HA 0.005 4.354 4.350 -0.001 0.000 0.196 285 E C -0.890 175.772 176.600 0.103 0.000 1.029 285 E CA -0.133 56.318 56.400 0.085 0.000 0.896 285 E CB 0.285 30.056 29.700 0.119 0.000 1.012 285 E HN 0.183 nan 8.360 nan 0.000 0.475 286 D N 0.725 121.214 120.400 0.148 0.000 2.751 286 D HA -0.159 4.481 4.640 -0.001 0.000 0.233 286 D C -0.413 175.914 176.300 0.045 0.000 1.149 286 D CA 1.154 55.221 54.000 0.111 0.000 0.682 286 D CB -1.291 39.514 40.800 0.009 0.000 1.068 286 D HN 0.191 nan 8.370 nan 0.000 0.429 287 S N -0.286 115.512 115.700 0.164 0.000 2.979 287 S HA 0.478 4.947 4.470 -0.001 0.000 0.210 287 S C -0.178 174.359 174.600 -0.105 0.000 1.364 287 S CA -0.896 57.313 58.200 0.015 0.000 1.208 287 S CB -0.285 62.946 63.200 0.051 0.000 1.167 287 S HN 0.467 nan 8.310 nan 0.000 0.519 288 Y N -2.300 117.868 120.300 -0.220 0.000 2.689 288 Y HA 0.672 5.221 4.550 -0.001 0.000 0.333 288 Y C -0.985 174.796 175.900 -0.198 0.000 1.190 288 Y CA -1.600 56.312 58.100 -0.313 0.000 1.063 288 Y CB 0.304 38.643 38.460 -0.202 0.000 1.294 288 Y HN 0.085 nan 8.280 nan 0.000 0.466 289 D N 1.721 122.040 120.400 -0.135 0.000 2.508 289 D HA 0.156 4.795 4.640 -0.001 0.000 0.224 289 D C 0.415 176.629 176.300 -0.143 0.000 1.171 289 D CA 0.171 54.073 54.000 -0.164 0.000 1.006 289 D CB 0.487 41.203 40.800 -0.140 0.000 1.073 289 D HN 0.698 nan 8.370 nan 0.000 0.513 290 K N 1.557 121.732 120.400 -0.375 0.000 2.063 290 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 290 K C 1.408 177.945 176.600 -0.105 0.000 1.048 290 K CA 1.241 57.343 56.287 -0.308 0.000 0.928 290 K CB 0.272 32.547 32.500 -0.374 0.000 0.713 290 K HN 0.249 nan 8.250 nan 0.000 0.442 291 E N 0.215 120.366 120.200 -0.081 0.000 2.077 291 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 291 E C 1.769 178.363 176.600 -0.010 0.000 0.989 291 E CA 1.189 57.563 56.400 -0.044 0.000 0.800 291 E CB -0.408 29.266 29.700 -0.043 0.000 0.746 291 E HN 0.366 nan 8.360 nan 0.000 0.452 292 Y N 0.687 120.918 120.300 -0.116 0.000 2.114 292 Y HA -0.262 4.288 4.550 -0.001 0.000 0.284 292 Y C 2.126 177.961 175.900 -0.107 0.000 1.143 292 Y CA 1.429 59.460 58.100 -0.115 0.000 1.135 292 Y CB -0.192 38.211 38.460 -0.095 0.000 0.980 292 Y HN -0.120 nan 8.280 nan 0.000 0.499 293 V N 0.486 120.494 119.914 0.157 0.000 2.332 293 V HA -0.362 3.757 4.120 -0.001 0.000 0.248 293 V C 2.646 178.683 176.094 -0.096 0.000 1.055 293 V CA 1.813 64.088 62.300 -0.042 0.000 1.038 293 V CB -1.585 30.038 31.823 -0.334 0.000 0.651 293 V HN 0.595 nan 8.190 nan 0.000 0.450 294 A N -0.268 122.514 122.820 -0.064 0.000 1.978 294 A HA -0.100 4.220 4.320 -0.001 0.000 0.220 294 A C 2.289 179.848 177.584 -0.041 0.000 1.170 294 A CA 2.243 54.261 52.037 -0.032 0.000 0.636 294 A CB -0.526 18.461 19.000 -0.023 0.000 0.810 294 A HN 0.605 nan 8.150 nan 0.000 0.448 295 A N -1.206 121.553 122.820 -0.103 0.000 2.044 295 A HA 0.091 4.410 4.320 -0.001 0.000 0.213 295 A C 1.453 178.924 177.584 -0.188 0.000 1.169 295 A CA 0.888 52.839 52.037 -0.145 0.000 0.724 295 A CB -0.005 18.874 19.000 -0.202 0.000 0.840 295 A HN 0.470 nan 8.150 nan 0.000 0.463 296 N N -0.378 118.174 118.700 -0.247 0.000 2.177 296 N HA 0.336 5.075 4.740 -0.001 0.000 0.218 296 N C -0.045 175.555 175.510 0.150 0.000 1.182 296 N CA 0.677 53.615 53.050 -0.186 0.000 0.882 296 N CB 0.900 38.978 38.487 -0.683 0.000 1.052 296 N HN 0.396 nan 8.380 nan 0.000 0.519 297 A N 0.160 123.073 122.820 0.155 0.000 2.356 297 A HA 0.592 4.911 4.320 -0.001 0.000 0.323 297 A C -1.223 176.562 177.584 0.336 0.000 1.119 297 A CA -0.404 51.822 52.037 0.315 0.000 0.790 297 A CB 1.263 20.397 19.000 0.223 0.000 1.273 297 A HN 0.307 nan 8.150 nan 0.000 0.452 298 H N -0.391 118.874 119.070 0.326 0.000 2.609 298 H HA 0.508 5.063 4.556 -0.001 0.000 0.344 298 H C 0.712 176.226 175.328 0.309 0.000 1.040 298 H CA 0.450 56.653 56.048 0.258 0.000 1.216 298 H CB 1.370 31.257 29.762 0.209 0.000 1.529 298 H HN 1.655 nan 8.280 nan 0.000 0.519 299 G N 3.712 112.340 108.800 -0.287 0.000 2.143 299 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.248 299 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.248 299 G C 0.753 175.692 174.900 0.064 0.000 0.991 299 G CA 0.537 45.540 45.100 -0.162 0.000 0.689 299 G HN 0.613 nan 8.290 nan 0.000 0.522 300 F N 1.075 120.963 119.950 -0.104 0.000 2.186 300 F HA 0.088 4.614 4.527 -0.001 0.000 0.299 300 F C 2.357 178.153 175.800 -0.007 0.000 1.090 300 F CA 2.268 60.129 58.000 -0.232 0.000 1.307 300 F CB 0.083 38.888 39.000 -0.325 0.000 1.019 300 F HN 0.264 nan 8.300 nan 0.000 0.489 301 E N 0.566 120.817 120.200 0.085 0.000 2.058 301 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 301 E C 1.985 178.566 176.600 -0.031 0.000 0.997 301 E CA 1.912 58.331 56.400 0.033 0.000 0.801 301 E CB -0.434 29.308 29.700 0.070 0.000 0.746 301 E HN 0.455 nan 8.360 nan 0.000 0.450 302 E N -0.520 119.684 120.200 0.008 0.000 2.072 302 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 302 E C 1.671 178.297 176.600 0.043 0.000 0.985 302 E CA 0.979 57.394 56.400 0.025 0.000 0.801 302 E CB -0.399 29.331 29.700 0.049 0.000 0.750 302 E HN 0.348 nan 8.360 nan 0.000 0.452 303 W N 1.465 122.679 121.300 -0.144 0.000 2.358 303 W HA -0.164 4.495 4.660 -0.001 0.000 0.303 303 W C 2.324 178.734 176.519 -0.181 0.000 1.208 303 W CA 2.126 59.403 57.345 -0.114 0.000 1.274 303 W CB -0.447 28.930 29.460 -0.139 0.000 1.138 303 W HN 0.073 nan 8.180 nan 0.000 0.515 304 A N -0.004 122.580 122.820 -0.393 0.000 1.933 304 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 304 A C 1.724 179.113 177.584 -0.325 0.000 1.175 304 A CA 2.111 53.851 52.037 -0.494 0.000 0.628 304 A CB -0.971 17.777 19.000 -0.420 0.000 0.814 304 A HN 0.293 nan 8.150 nan 0.000 0.444 305 D N -1.876 118.405 120.400 -0.198 0.000 2.178 305 D HA -0.137 4.502 4.640 -0.001 0.000 0.201 305 D C 1.589 177.782 176.300 -0.178 0.000 0.980 305 D CA 1.384 55.298 54.000 -0.143 0.000 0.842 305 D CB -0.319 40.438 40.800 -0.073 0.000 0.948 305 D HN 0.661 nan 8.370 nan 0.000 0.472 306 Y N 1.328 121.435 120.300 -0.323 0.000 2.184 306 Y HA -0.148 4.401 4.550 -0.001 0.000 0.290 306 Y C 2.153 177.756 175.900 -0.494 0.000 1.129 306 Y CA 0.948 58.825 58.100 -0.372 0.000 1.144 306 Y CB -0.287 37.955 38.460 -0.364 0.000 0.995 306 Y HN -0.229 nan 8.280 nan 0.000 0.513 307 V N 0.871 120.408 119.914 -0.629 0.000 2.407 307 V HA -0.310 3.809 4.120 -0.001 0.000 0.248 307 V C 2.264 178.109 176.094 -0.414 0.000 1.055 307 V CA 1.938 63.858 62.300 -0.635 0.000 1.049 307 V CB -0.740 30.699 31.823 -0.640 0.000 0.662 307 V HN 0.439 nan 8.190 nan 0.000 0.455 308 L N 0.329 121.372 121.223 -0.301 0.000 2.552 308 L HA 0.197 4.536 4.340 -0.001 0.000 0.227 308 L C 1.805 178.543 176.870 -0.221 0.000 1.146 308 L CA 0.868 55.632 54.840 -0.126 0.000 0.858 308 L CB -0.716 41.268 42.059 -0.125 0.000 0.969 308 L HN 0.572 nan 8.230 nan 0.000 0.451 309 G N 0.271 108.823 108.800 -0.413 0.000 2.143 309 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.248 309 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.248 309 G C 0.980 175.716 174.900 -0.274 0.000 0.991 309 G CA 0.659 45.498 45.100 -0.434 0.000 0.689 309 G HN 0.388 nan 8.290 nan 0.000 0.522 310 K N -0.323 119.953 120.400 -0.207 0.000 2.057 310 K HA -0.037 4.282 4.320 -0.001 0.000 0.206 310 K C 2.810 179.345 176.600 -0.109 0.000 1.050 310 K CA 1.892 58.100 56.287 -0.131 0.000 0.935 310 K CB -0.291 32.151 32.500 -0.098 0.000 0.715 310 K HN 0.577 nan 8.250 nan 0.000 0.439 311 T N -0.312 114.181 114.554 -0.102 0.000 3.043 311 T HA -0.063 4.287 4.350 -0.001 0.000 0.263 311 T C 1.306 175.977 174.700 -0.048 0.000 1.094 311 T CA 1.144 63.217 62.100 -0.046 0.000 1.127 311 T CB -0.047 68.829 68.868 0.013 0.000 0.905 311 T HN 0.220 nan 8.240 nan 0.000 0.490 312 D N 0.056 120.387 120.400 -0.114 0.000 2.469 312 D HA 0.247 4.886 4.640 -0.001 0.000 0.213 312 D C 1.628 177.833 176.300 -0.157 0.000 1.135 312 D CA 0.455 54.389 54.000 -0.110 0.000 0.834 312 D CB -0.427 40.310 40.800 -0.104 0.000 1.009 312 D HN 0.525 nan 8.370 nan 0.000 0.507 313 G N -0.095 108.594 108.800 -0.185 0.000 2.179 313 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.260 313 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.260 313 G C 0.197 174.957 174.900 -0.233 0.000 0.977 313 G CA 0.559 45.556 45.100 -0.172 0.000 0.641 313 G HN 0.448 nan 8.290 nan 0.000 0.533 314 T N 2.582 116.922 114.554 -0.356 0.000 2.977 314 T HA 0.525 4.874 4.350 -0.001 0.000 0.346 314 T C -2.675 171.622 174.700 -0.672 0.000 1.140 314 T CA -0.976 60.843 62.100 -0.469 0.000 1.040 314 T CB 2.457 71.022 68.868 -0.505 0.000 1.046 314 T HN 0.036 nan 8.240 nan 0.000 0.494 315 P HA 0.100 nan 4.420 nan 0.000 0.267 315 P C -0.013 176.721 177.300 -0.943 0.000 1.205 315 P CA -0.445 62.290 63.100 -0.608 0.000 0.765 315 P CB 0.468 31.931 31.700 -0.394 0.000 0.828 316 K N 2.579 122.335 120.400 -1.073 0.000 2.737 316 K HA 0.109 4.428 4.320 -0.001 0.000 0.251 316 K C 0.641 176.757 176.600 -0.807 0.000 1.280 316 K CA 0.143 55.739 56.287 -1.151 0.000 1.219 316 K CB -1.224 30.704 32.500 -0.953 0.000 1.587 316 K HN 0.476 nan 8.250 nan 0.000 0.279 317 T N -3.227 110.867 114.554 -0.766 0.000 2.766 317 T HA 0.032 4.382 4.350 -0.001 0.000 0.295 317 T C 1.633 176.292 174.700 -0.068 0.000 1.024 317 T CA -0.588 61.170 62.100 -0.570 0.000 1.018 317 T CB 0.863 69.504 68.868 -0.378 0.000 1.002 317 T HN 0.396 nan 8.240 nan 0.000 0.532 318 C N 0.824 120.112 119.300 -0.019 0.000 2.432 318 C HA 0.025 4.484 4.460 -0.001 0.000 0.280 318 C C 2.765 177.736 174.990 -0.032 0.000 1.353 318 C CA 0.509 59.532 59.018 0.009 0.000 1.766 318 C CB -1.459 26.292 27.740 0.019 0.000 1.924 318 C HN 0.979 nan 8.230 nan 0.000 0.509 319 E N -0.417 119.767 120.200 -0.027 0.000 2.107 319 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 319 E C 1.633 178.201 176.600 -0.053 0.000 0.982 319 E CA 0.897 57.270 56.400 -0.047 0.000 0.809 319 E CB -0.303 29.378 29.700 -0.032 0.000 0.756 319 E HN 0.849 nan 8.360 nan 0.000 0.459 320 W N 1.323 122.502 121.300 -0.202 0.000 2.381 320 W HA -0.115 4.545 4.660 -0.001 0.000 0.301 320 W C 2.151 178.540 176.519 -0.217 0.000 1.205 320 W CA 2.029 59.238 57.345 -0.226 0.000 1.285 320 W CB -0.423 28.853 29.460 -0.307 0.000 1.133 320 W HN 0.029 nan 8.180 nan 0.000 0.521 321 A N 0.136 122.739 122.820 -0.362 0.000 1.969 321 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 321 A C 2.007 179.325 177.584 -0.443 0.000 1.169 321 A CA 1.843 53.520 52.037 -0.600 0.000 0.635 321 A CB -0.982 17.912 19.000 -0.176 0.000 0.810 321 A HN 0.568 nan 8.150 nan 0.000 0.445 322 E N -0.273 119.749 120.200 -0.297 0.000 2.072 322 E HA -0.231 4.118 4.350 -0.001 0.000 0.191 322 E C 1.943 178.387 176.600 -0.259 0.000 0.985 322 E CA 1.255 57.508 56.400 -0.245 0.000 0.801 322 E CB -0.155 29.438 29.700 -0.178 0.000 0.750 322 E HN 0.739 nan 8.360 nan 0.000 0.452 323 E N -0.298 119.730 120.200 -0.287 0.000 2.268 323 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 323 E C 1.750 178.171 176.600 -0.299 0.000 0.995 323 E CA 0.768 57.015 56.400 -0.255 0.000 0.836 323 E CB 0.258 29.826 29.700 -0.220 0.000 0.763 323 E HN 0.218 nan 8.360 nan 0.000 0.491 324 E N -0.370 119.566 120.200 -0.440 0.000 2.075 324 E HA -0.066 4.283 4.350 -0.001 0.000 0.190 324 E C 2.150 178.611 176.600 -0.231 0.000 0.969 324 E CA 1.282 57.456 56.400 -0.377 0.000 0.815 324 E CB 0.094 29.416 29.700 -0.630 0.000 0.776 324 E HN 0.245 nan 8.360 nan 0.000 0.457 325 S N -1.375 114.181 115.700 -0.240 0.000 2.492 325 S HA 0.219 4.688 4.470 -0.001 0.000 0.218 325 S C 1.653 176.162 174.600 -0.151 0.000 1.016 325 S CA 0.830 58.939 58.200 -0.151 0.000 0.916 325 S CB 0.755 63.880 63.200 -0.125 0.000 0.791 325 S HN 0.287 nan 8.310 nan 0.000 0.513 326 G N 0.617 109.310 108.800 -0.178 0.000 2.176 326 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.253 326 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.253 326 G C 0.028 174.810 174.900 -0.196 0.000 0.979 326 G CA 0.053 45.055 45.100 -0.164 0.000 0.641 326 G HN 0.729 nan 8.290 nan 0.000 0.530 327 V N 2.344 122.115 119.914 -0.239 0.000 2.432 327 V HA 0.378 4.498 4.120 -0.001 0.000 0.271 327 V C -1.459 174.444 176.094 -0.318 0.000 1.046 327 V CA -1.411 60.687 62.300 -0.337 0.000 0.945 327 V CB 1.278 32.835 31.823 -0.443 0.000 0.992 327 V HN 0.099 nan 8.190 nan 0.000 0.471 328 P HA -0.043 nan 4.420 nan 0.000 0.261 328 P C 0.667 177.841 177.300 -0.209 0.000 1.173 328 P CA 0.521 63.495 63.100 -0.210 0.000 0.760 328 P CB 0.629 32.229 31.700 -0.167 0.000 0.783 329 A N 4.076 126.812 122.820 -0.140 0.000 1.908 329 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 329 A C 2.220 179.766 177.584 -0.064 0.000 1.181 329 A CA 2.091 54.068 52.037 -0.100 0.000 0.627 329 A CB -1.815 17.147 19.000 -0.065 0.000 0.818 329 A HN 0.755 nan 8.150 nan 0.000 0.445 330 C N -0.618 118.655 119.300 -0.046 0.000 2.413 330 C HA -0.090 4.369 4.460 -0.001 0.000 0.277 330 C C 2.259 177.258 174.990 0.015 0.000 1.265 330 C CA 1.121 60.137 59.018 -0.003 0.000 1.752 330 C CB -1.576 26.167 27.740 0.006 0.000 1.998 330 C HN 0.660 nan 8.230 nan 0.000 0.489 331 E N 1.172 121.352 120.200 -0.034 0.000 2.107 331 E HA -0.036 4.313 4.350 -0.001 0.000 0.191 331 E C 2.146 178.766 176.600 0.034 0.000 0.982 331 E CA 1.202 57.618 56.400 0.027 0.000 0.809 331 E CB -0.208 29.452 29.700 -0.068 0.000 0.756 331 E HN 0.721 nan 8.360 nan 0.000 0.459 332 I N 0.990 121.478 120.570 -0.137 0.000 2.179 332 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 332 I C 2.780 178.949 176.117 0.088 0.000 1.088 332 I CA 1.126 62.394 61.300 -0.053 0.000 1.357 332 I CB -0.229 37.711 38.000 -0.100 0.000 1.051 332 I HN 0.017 nan 8.210 nan 0.000 0.409 333 R N 1.072 121.615 120.500 0.072 0.000 2.092 333 R HA -0.143 4.196 4.340 -0.001 0.000 0.231 333 R C 2.368 178.764 176.300 0.160 0.000 1.119 333 R CA 1.432 57.598 56.100 0.111 0.000 0.970 333 R CB -0.197 30.158 30.300 0.092 0.000 0.864 333 R HN 0.354 nan 8.270 nan 0.000 0.440 334 A N 1.007 123.924 122.820 0.162 0.000 1.933 334 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 334 A C 1.996 179.730 177.584 0.250 0.000 1.175 334 A CA 1.180 53.330 52.037 0.188 0.000 0.628 334 A CB -0.526 18.576 19.000 0.171 0.000 0.814 334 A HN 0.386 nan 8.150 nan 0.000 0.444 335 L N -0.267 121.139 121.223 0.305 0.000 2.056 335 L HA 0.000 4.339 4.340 -0.001 0.000 0.207 335 L C 2.640 179.796 176.870 0.476 0.000 1.078 335 L CA 2.163 57.230 54.840 0.380 0.000 0.749 335 L CB -0.867 41.468 42.059 0.460 0.000 0.901 335 L HN 0.324 nan 8.230 nan 0.000 0.433 336 A N -0.184 122.868 122.820 0.386 0.000 1.883 336 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 336 A C 2.440 180.388 177.584 0.607 0.000 1.186 336 A CA 2.062 54.333 52.037 0.390 0.000 0.624 336 A CB -0.605 18.431 19.000 0.060 0.000 0.822 336 A HN 0.518 nan 8.150 nan 0.000 0.444 337 R N -1.359 119.384 120.500 0.404 0.000 2.081 337 R HA -0.158 4.181 4.340 -0.001 0.000 0.235 337 R C 2.526 179.020 176.300 0.325 0.000 1.131 337 R CA 1.660 57.966 56.100 0.343 0.000 0.960 337 R CB -0.260 30.179 30.300 0.232 0.000 0.856 337 R HN 0.638 nan 8.270 nan 0.000 0.436 338 Q N -0.068 119.927 119.800 0.325 0.000 2.079 338 Q HA -0.175 4.164 4.340 -0.001 0.000 0.200 338 Q C 1.635 177.849 176.000 0.356 0.000 0.974 338 Q CA 1.335 57.304 55.803 0.276 0.000 0.840 338 Q CB -0.276 28.600 28.738 0.230 0.000 0.898 338 Q HN 0.393 nan 8.270 nan 0.000 0.430 339 W N 0.512 121.968 121.300 0.260 0.000 2.338 339 W HA -0.140 4.519 4.660 -0.001 0.000 0.304 339 W C 1.900 178.513 176.519 0.156 0.000 1.212 339 W CA 2.154 59.670 57.345 0.284 0.000 1.264 339 W CB -0.884 28.887 29.460 0.518 0.000 1.142 339 W HN 0.283 nan 8.180 nan 0.000 0.512 340 A N 0.997 124.056 122.820 0.399 0.000 1.898 340 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 340 A C 2.019 179.612 177.584 0.014 0.000 1.181 340 A CA 2.254 54.264 52.037 -0.046 0.000 0.620 340 A CB -0.775 18.125 19.000 -0.167 0.000 0.819 340 A HN 0.454 nan 8.150 nan 0.000 0.442 341 K N -1.482 118.978 120.400 0.102 0.000 2.426 341 K HA 0.129 4.448 4.320 -0.001 0.000 0.193 341 K C -0.022 176.621 176.600 0.072 0.000 1.028 341 K CA 0.168 56.495 56.287 0.067 0.000 1.047 341 K CB 0.240 32.786 32.500 0.077 0.000 0.821 341 K HN 0.057 nan 8.250 nan 0.000 0.513 342 K N 1.423 121.886 120.400 0.105 0.000 2.221 342 K HA 0.252 4.571 4.320 -0.001 0.000 0.243 342 K C -0.814 175.829 176.600 0.072 0.000 0.968 342 K CA -0.951 55.390 56.287 0.090 0.000 0.846 342 K CB 1.144 33.707 32.500 0.105 0.000 1.141 342 K HN -0.055 nan 8.250 nan 0.000 0.434 343 N N 1.738 120.474 118.700 0.060 0.000 2.400 343 N HA 0.078 4.817 4.740 -0.001 0.000 0.267 343 N C -0.844 174.675 175.510 0.016 0.000 1.208 343 N CA 0.383 53.444 53.050 0.017 0.000 0.951 343 N CB 0.170 38.705 38.487 0.080 0.000 1.227 343 N HN 0.288 nan 8.380 nan 0.000 0.488 344 T N 2.602 117.119 114.554 -0.063 0.000 2.779 344 T HA 0.348 4.697 4.350 -0.001 0.000 0.280 344 T C -0.301 174.270 174.700 -0.215 0.000 0.987 344 T CA -0.380 61.654 62.100 -0.109 0.000 0.966 344 T CB 0.542 69.268 68.868 -0.238 0.000 0.933 344 T HN 0.188 nan 8.240 nan 0.000 0.442 345 Y N 1.910 122.174 120.300 -0.059 0.000 2.342 345 Y HA 0.536 5.085 4.550 -0.001 0.000 0.334 345 Y C -0.015 175.794 175.900 -0.152 0.000 1.067 345 Y CA -1.337 56.765 58.100 0.003 0.000 1.128 345 Y CB 1.105 39.658 38.460 0.155 0.000 1.200 345 Y HN 0.411 nan 8.280 nan 0.000 0.464 346 L N 3.872 125.150 121.223 0.092 0.000 2.259 346 L HA 0.614 4.953 4.340 -0.001 0.000 0.288 346 L C 0.001 176.877 176.870 0.010 0.000 1.051 346 L CA -0.582 54.281 54.840 0.039 0.000 0.824 346 L CB 0.175 42.397 42.059 0.271 0.000 1.206 346 L HN 0.695 nan 8.230 nan 0.000 0.429 347 A N 5.515 128.228 122.820 -0.178 0.000 3.015 347 A HA 0.693 5.012 4.320 -0.001 0.000 0.293 347 A C 0.462 178.096 177.584 0.084 0.000 1.572 347 A CA -0.031 51.884 52.037 -0.203 0.000 1.274 347 A CB -0.655 17.939 19.000 -0.676 0.000 1.156 347 A HN 0.914 nan 8.150 nan 0.000 0.562 348 A N 1.802 124.728 122.820 0.177 0.000 2.310 348 A HA 0.644 4.963 4.320 -0.001 0.000 0.300 348 A C 0.992 178.820 177.584 0.406 0.000 1.269 348 A CA 0.480 52.750 52.037 0.388 0.000 0.909 348 A CB -0.660 18.492 19.000 0.254 0.000 1.144 348 A HN 2.547 nan 8.150 nan 0.000 0.540 349 G N 1.400 110.521 108.800 0.535 0.000 2.758 349 G HA2 0.192 4.151 3.960 -0.001 0.000 0.686 349 G HA3 0.192 4.151 3.960 -0.001 0.000 0.686 349 G C 0.798 175.816 174.900 0.196 0.000 1.389 349 G CA -0.145 45.190 45.100 0.392 0.000 0.845 349 G HN 1.681 nan 8.290 nan 0.000 0.572 350 G N -0.960 107.930 108.800 0.149 0.000 2.712 350 G HA2 0.312 4.271 3.960 -0.001 0.000 0.212 350 G HA3 0.312 4.271 3.960 -0.001 0.000 0.212 350 G C 1.631 176.509 174.900 -0.037 0.000 1.142 350 G CA 1.639 46.777 45.100 0.064 0.000 0.789 350 G HN 1.281 nan 8.290 nan 0.000 0.535 351 L N -0.339 120.825 121.223 -0.098 0.000 2.470 351 L HA 0.508 4.847 4.340 -0.001 0.000 0.219 351 L C 1.106 177.756 176.870 -0.366 0.000 1.071 351 L CA 1.385 56.032 54.840 -0.321 0.000 0.850 351 L CB 0.425 42.046 42.059 -0.730 0.000 1.040 351 L HN 0.273 nan 8.230 nan 0.000 0.475 352 G N -0.586 108.024 108.800 -0.317 0.000 2.859 352 G HA2 0.428 4.387 3.960 -0.001 0.000 0.251 352 G HA3 0.428 4.387 3.960 -0.001 0.000 0.251 352 G C 0.246 174.821 174.900 -0.542 0.000 0.978 352 G CA -0.311 44.600 45.100 -0.315 0.000 1.270 352 G HN 1.102 nan 8.290 nan 0.000 0.601 353 G N 0.058 108.515 108.800 -0.571 0.000 2.434 353 G HA2 0.458 4.417 3.960 -0.001 0.000 0.671 353 G HA3 0.458 4.417 3.960 -0.001 0.000 0.671 353 G C 0.348 175.005 174.900 -0.406 0.000 1.280 353 G CA 0.486 44.926 45.100 -1.101 0.000 0.975 353 G HN 2.046 nan 8.290 nan 0.000 0.510 354 W N -1.986 119.018 121.300 -0.493 0.000 3.427 354 W HA 0.331 4.991 4.660 -0.001 0.000 0.319 354 W C 1.305 178.064 176.519 0.400 0.000 0.165 354 W CA 2.150 59.491 57.345 -0.006 0.000 0.459 354 W CB -1.531 27.789 29.460 -0.233 0.000 1.886 354 W HN 3.061 nan 8.180 nan 0.000 0.425 355 G N -1.026 108.028 108.800 0.423 0.000 2.906 355 G HA2 0.473 4.433 3.960 -0.001 0.000 0.686 355 G HA3 0.473 4.433 3.960 -0.001 0.000 0.686 355 G C 0.410 175.334 174.900 0.040 0.000 1.170 355 G CA 0.525 45.781 45.100 0.259 0.000 0.775 355 G HN 1.757 nan 8.290 nan 0.000 0.630 356 G N 0.691 109.452 108.800 -0.065 0.000 2.432 356 G HA2 0.234 4.193 3.960 -0.001 0.000 0.219 356 G HA3 0.234 4.193 3.960 -0.001 0.000 0.219 356 G C 2.075 176.887 174.900 -0.147 0.000 1.135 356 G CA 2.362 47.421 45.100 -0.070 0.000 0.767 356 G HN 2.074 nan 8.290 nan 0.000 0.550 357 A N 0.375 122.955 122.820 -0.401 0.000 2.070 357 A HA -0.113 4.206 4.320 -0.001 0.000 0.220 357 A C 2.581 179.863 177.584 -0.504 0.000 1.159 357 A CA 1.892 53.542 52.037 -0.644 0.000 0.656 357 A CB -0.983 17.083 19.000 -1.558 0.000 0.800 357 A HN 0.947 nan 8.150 nan 0.000 0.453 358 C N -0.210 118.974 119.300 -0.193 0.000 2.481 358 C HA 0.201 4.660 4.460 -0.001 0.000 0.275 358 C C 1.501 176.534 174.990 0.071 0.000 1.419 358 C CA 0.244 59.320 59.018 0.097 0.000 1.773 358 C CB -1.092 26.895 27.740 0.412 0.000 1.862 358 C HN 0.607 nan 8.230 nan 0.000 0.530 359 R N 1.026 121.550 120.500 0.040 0.000 3.301 359 R HA 0.739 5.078 4.340 -0.001 0.000 0.286 359 R C -0.440 175.870 176.300 0.018 0.000 1.386 359 R CA 0.266 56.406 56.100 0.066 0.000 1.607 359 R CB 0.168 30.520 30.300 0.087 0.000 1.305 359 R HN 0.448 nan 8.270 nan 0.000 0.637 360 A N 0.566 123.377 122.820 -0.015 0.000 2.588 360 A HA 0.394 4.713 4.320 -0.001 0.000 0.290 360 A C 0.673 178.192 177.584 -0.108 0.000 1.136 360 A CA -0.428 51.589 52.037 -0.033 0.000 0.681 360 A CB 1.261 20.314 19.000 0.089 0.000 1.282 360 A HN 0.405 nan 8.150 nan 0.000 0.421 361 S N 0.150 115.652 115.700 -0.329 0.000 2.469 361 S HA -0.194 4.276 4.470 -0.001 0.000 0.238 361 S C 1.090 175.527 174.600 -0.273 0.000 0.998 361 S CA 1.870 59.657 58.200 -0.688 0.000 0.957 361 S CB -0.573 61.676 63.200 -1.584 0.000 0.764 361 S HN 1.163 nan 8.310 nan 0.000 0.514 362 H N -0.502 118.397 119.070 -0.284 0.000 2.542 362 H HA 0.451 5.006 4.556 -0.001 0.000 0.283 362 H C 1.629 176.847 175.328 -0.183 0.000 1.059 362 H CA 0.037 55.922 56.048 -0.272 0.000 1.162 362 H CB -0.969 28.610 29.762 -0.306 0.000 1.539 362 H HN 0.341 nan 8.280 nan 0.000 0.543 363 G N 1.796 110.409 108.800 -0.312 0.000 2.469 363 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.220 363 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.220 363 G C 1.666 176.470 174.900 -0.161 0.000 1.136 363 G CA 1.099 46.050 45.100 -0.249 0.000 0.759 363 G HN 0.430 nan 8.290 nan 0.000 0.562 364 I N 0.333 120.849 120.570 -0.090 0.000 2.202 364 I HA -0.089 4.080 4.170 -0.001 0.000 0.242 364 I C 2.610 178.627 176.117 -0.166 0.000 1.091 364 I CA 0.984 62.240 61.300 -0.073 0.000 1.368 364 I CB -0.106 37.927 38.000 0.055 0.000 1.058 364 I HN 0.074 nan 8.210 nan 0.000 0.410 365 E N -0.219 119.914 120.200 -0.112 0.000 2.208 365 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 365 E C 1.629 178.154 176.600 -0.124 0.000 0.988 365 E CA 0.850 57.248 56.400 -0.004 0.000 0.828 365 E CB -0.370 29.392 29.700 0.103 0.000 0.763 365 E HN 0.598 nan 8.360 nan 0.000 0.478 366 W N 1.833 122.872 121.300 -0.435 0.000 2.379 366 W HA -0.061 4.598 4.660 -0.001 0.000 0.307 366 W C 2.328 178.452 176.519 -0.658 0.000 1.200 366 W CA 2.151 59.212 57.345 -0.473 0.000 1.297 366 W CB -0.452 28.658 29.460 -0.583 0.000 1.140 366 W HN 0.029 nan 8.180 nan 0.000 0.507 367 A N 0.861 123.101 122.820 -0.968 0.000 1.902 367 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 367 A C 2.079 178.851 177.584 -1.353 0.000 1.181 367 A CA 1.753 52.778 52.037 -1.687 0.000 0.623 367 A CB -0.761 17.241 19.000 -1.664 0.000 0.818 367 A HN 0.380 nan 8.150 nan 0.000 0.443 368 R N -0.935 118.967 120.500 -0.997 0.000 2.115 368 R HA -0.083 4.256 4.340 -0.001 0.000 0.230 368 R C 2.322 177.858 176.300 -1.273 0.000 1.111 368 R CA 0.949 56.407 56.100 -1.070 0.000 0.976 368 R CB -0.489 29.253 30.300 -0.930 0.000 0.870 368 R HN 0.546 nan 8.270 nan 0.000 0.445 369 G N 0.882 109.018 108.800 -1.105 0.000 2.402 369 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 369 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 369 G C 1.420 175.893 174.900 -0.713 0.000 1.162 369 G CA 0.313 44.972 45.100 -0.735 0.000 0.777 369 G HN 0.054 nan 8.290 nan 0.000 0.539 370 M N 0.410 119.435 119.600 -0.958 0.000 2.132 370 M HA 0.112 4.591 4.480 -0.001 0.000 0.263 370 M C 2.603 178.613 176.300 -0.483 0.000 1.065 370 M CA 0.846 55.708 55.300 -0.729 0.000 1.122 370 M CB -0.987 31.087 32.600 -0.877 0.000 1.365 370 M HN 0.229 nan 8.290 nan 0.000 0.411 371 I N 0.140 120.290 120.570 -0.701 0.000 2.252 371 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 371 I C 2.623 178.466 176.117 -0.457 0.000 1.102 371 I CA 1.100 61.983 61.300 -0.694 0.000 1.385 371 I CB -0.623 36.703 38.000 -1.123 0.000 1.064 371 I HN 0.204 nan 8.210 nan 0.000 0.414 372 A N 0.828 123.315 122.820 -0.554 0.000 1.883 372 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 372 A C 2.153 179.756 177.584 0.032 0.000 1.186 372 A CA 1.600 53.436 52.037 -0.335 0.000 0.624 372 A CB -0.697 18.065 19.000 -0.397 0.000 0.822 372 A HN 0.281 nan 8.150 nan 0.000 0.444 373 L N -0.504 120.712 121.223 -0.010 0.000 2.027 373 L HA -0.064 4.275 4.340 -0.001 0.000 0.206 373 L C 3.010 180.016 176.870 0.227 0.000 1.074 373 L CA 1.907 56.840 54.840 0.154 0.000 0.745 373 L CB -1.203 40.847 42.059 -0.016 0.000 0.898 373 L HN 0.394 nan 8.230 nan 0.000 0.433 374 A N -1.563 121.356 122.820 0.166 0.000 1.933 374 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 374 A C 2.358 180.004 177.584 0.102 0.000 1.175 374 A CA 2.315 54.462 52.037 0.184 0.000 0.628 374 A CB -0.963 18.140 19.000 0.172 0.000 0.814 374 A HN 0.446 nan 8.150 nan 0.000 0.444 375 T N -0.095 114.538 114.554 0.131 0.000 2.777 375 T HA -0.098 4.251 4.350 -0.001 0.000 0.266 375 T C 1.922 176.675 174.700 0.089 0.000 1.040 375 T CA 1.631 63.854 62.100 0.204 0.000 1.141 375 T CB -0.289 68.781 68.868 0.336 0.000 0.868 375 T HN 0.436 nan 8.240 nan 0.000 0.444 376 M N 0.803 120.490 119.600 0.146 0.000 2.279 376 M HA -0.064 4.415 4.480 -0.001 0.000 0.264 376 M C 1.936 178.181 176.300 -0.092 0.000 1.062 376 M CA 1.189 56.544 55.300 0.093 0.000 1.099 376 M CB -0.161 32.588 32.600 0.248 0.000 1.394 376 M HN 0.074 nan 8.290 nan 0.000 0.426 377 Q N -0.219 119.460 119.800 -0.202 0.000 2.320 377 Q HA 0.168 4.507 4.340 -0.001 0.000 0.201 377 Q C 0.704 176.478 176.000 -0.377 0.000 0.910 377 Q CA 0.501 56.121 55.803 -0.305 0.000 0.946 377 Q CB 0.448 29.059 28.738 -0.212 0.000 1.062 377 Q HN 0.661 nan 8.270 nan 0.000 0.503 378 G N 2.709 111.105 108.800 -0.674 0.000 2.326 378 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.286 378 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.286 378 G C 0.250 174.688 174.900 -0.770 0.000 1.096 378 G CA 0.428 44.697 45.100 -1.386 0.000 1.003 378 G HN 0.427 nan 8.290 nan 0.000 0.503 379 M N -0.872 118.486 119.600 -0.402 0.000 2.248 379 M HA 0.447 4.927 4.480 -0.001 0.000 0.343 379 M C 1.455 177.803 176.300 0.081 0.000 1.243 379 M CA 1.488 56.758 55.300 -0.050 0.000 1.025 379 M CB 0.752 33.426 32.600 0.124 0.000 1.759 379 M HN 1.684 nan 8.290 nan 0.000 0.452 380 G N 2.335 111.168 108.800 0.056 0.000 2.307 380 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.210 380 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.210 380 G C -0.028 174.894 174.900 0.037 0.000 1.005 380 G CA 0.096 45.243 45.100 0.078 0.000 0.634 380 G HN 1.039 nan 8.290 nan 0.000 0.496 381 K N 1.251 121.647 120.400 -0.007 0.000 2.126 381 K HA 0.614 4.933 4.320 -0.001 0.000 0.257 381 K C -2.826 173.720 176.600 -0.090 0.000 1.007 381 K CA -1.721 54.541 56.287 -0.043 0.000 0.928 381 K CB 1.164 33.625 32.500 -0.064 0.000 1.013 381 K HN 0.041 nan 8.250 nan 0.000 0.473 382 P HA -0.047 nan 4.420 nan 0.000 0.262 382 P C 0.437 177.578 177.300 -0.265 0.000 1.182 382 P CA 1.306 64.258 63.100 -0.246 0.000 0.761 382 P CB 0.461 31.868 31.700 -0.489 0.000 0.795 383 G N 1.596 110.337 108.800 -0.099 0.000 2.162 383 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.260 383 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.260 383 G C 0.240 174.849 174.900 -0.485 0.000 0.976 383 G CA 0.288 45.326 45.100 -0.102 0.000 0.655 383 G HN 0.803 nan 8.290 nan 0.000 0.533 384 S N -0.192 115.200 115.700 -0.513 0.000 2.750 384 S HA 0.672 5.141 4.470 -0.001 0.000 0.276 384 S C -0.798 173.602 174.600 -0.333 0.000 1.165 384 S CA -0.037 57.877 58.200 -0.477 0.000 1.047 384 S CB 1.149 64.193 63.200 -0.260 0.000 1.056 384 S HN 0.688 nan 8.310 nan 0.000 0.481 385 N N 2.531 121.049 118.700 -0.303 0.000 3.373 385 N HA 0.300 5.039 4.740 -0.001 0.000 0.275 385 N C -1.889 173.736 175.510 0.190 0.000 1.489 385 N CA -0.527 52.544 53.050 0.035 0.000 0.872 385 N CB 1.412 40.002 38.487 0.171 0.000 1.555 385 N HN 0.663 nan 8.380 nan 0.000 0.500 386 M N 1.526 121.263 119.600 0.229 0.000 2.088 386 M HA 0.405 4.884 4.480 -0.001 0.000 0.346 386 M C -1.707 174.768 176.300 0.291 0.000 1.111 386 M CA -0.504 54.931 55.300 0.225 0.000 1.017 386 M CB 0.628 33.335 32.600 0.178 0.000 1.568 386 M HN 0.518 nan 8.290 nan 0.000 0.445 387 W N 3.291 124.620 121.300 0.048 0.000 3.405 387 W HA 0.386 5.045 4.660 -0.001 0.000 0.329 387 W C -1.040 175.408 176.519 -0.118 0.000 1.142 387 W CA -0.582 56.739 57.345 -0.039 0.000 1.235 387 W CB 1.627 31.071 29.460 -0.025 0.000 1.341 387 W HN 0.519 nan 8.180 nan 0.000 0.481 388 S N 2.196 117.645 115.700 -0.418 0.000 2.577 388 S HA 0.028 4.497 4.470 -0.001 0.000 0.219 388 S C 1.385 175.560 174.600 -0.707 0.000 0.962 388 S CA 0.902 58.825 58.200 -0.461 0.000 0.921 388 S CB 0.003 63.080 63.200 -0.205 0.000 0.789 388 S HN 1.044 nan 8.310 nan 0.000 0.497 389 T N -1.152 112.444 114.554 -1.597 0.000 6.974 389 T HA -0.278 4.071 4.350 -0.001 0.000 0.287 389 T C 1.099 175.474 174.700 -0.541 0.000 2.146 389 T CA 1.997 63.174 62.100 -1.539 0.000 3.451 389 T CB -2.683 65.596 68.868 -0.982 0.000 1.630 389 T HN 0.560 nan 8.240 nan 0.000 1.173 390 T N -2.375 111.966 114.554 -0.354 0.000 3.039 390 T HA 0.345 4.694 4.350 -0.001 0.000 0.250 390 T C 0.961 175.619 174.700 -0.070 0.000 1.052 390 T CA 0.416 62.416 62.100 -0.166 0.000 1.125 390 T CB 0.226 68.996 68.868 -0.164 0.000 0.908 390 T HN 0.793 nan 8.240 nan 0.000 0.473 391 Q N -0.032 119.762 119.800 -0.010 0.000 2.527 391 Q HA 0.560 4.900 4.340 -0.001 0.000 0.220 391 Q C 0.829 176.944 176.000 0.191 0.000 1.014 391 Q CA -0.440 55.370 55.803 0.012 0.000 0.978 391 Q CB 1.092 29.757 28.738 -0.122 0.000 1.245 391 Q HN 0.418 nan 8.270 nan 0.000 0.513 392 G N -0.666 108.161 108.800 0.044 0.000 2.175 392 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.244 392 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.244 392 G C 0.037 174.929 174.900 -0.013 0.000 0.982 392 G CA 0.050 45.163 45.100 0.021 0.000 0.641 392 G HN 0.339 nan 8.290 nan 0.000 0.527 393 V N 1.531 121.432 119.914 -0.022 0.000 2.673 393 V HA 0.259 4.378 4.120 -0.001 0.000 0.303 393 V C -0.987 174.946 176.094 -0.269 0.000 1.046 393 V CA -0.136 62.034 62.300 -0.217 0.000 1.126 393 V CB 1.099 32.850 31.823 -0.119 0.000 0.934 393 V HN 0.146 nan 8.190 nan 0.000 0.487 394 P HA 0.178 nan 4.420 nan 0.000 0.249 394 P C -0.143 176.864 177.300 -0.490 0.000 1.686 394 P CA 0.160 62.941 63.100 -0.532 0.000 0.873 394 P CB -0.177 31.208 31.700 -0.526 0.000 1.828 395 L N -0.389 120.618 121.223 -0.361 0.000 2.475 395 L HA 0.237 4.576 4.340 -0.001 0.000 0.253 395 L C 1.087 177.816 176.870 -0.235 0.000 1.198 395 L CA -0.590 54.186 54.840 -0.107 0.000 0.814 395 L CB 0.249 42.442 42.059 0.223 0.000 1.134 395 L HN -0.057 nan 8.230 nan 0.000 0.478 396 D N -0.112 120.289 120.400 0.001 0.000 2.398 396 D HA 0.006 4.645 4.640 -0.001 0.000 0.250 396 D C 0.779 177.257 176.300 0.296 0.000 1.287 396 D CA 0.369 54.410 54.000 0.069 0.000 0.992 396 D CB 0.033 40.908 40.800 0.126 0.000 1.071 396 D HN 0.292 nan 8.370 nan 0.000 0.514 397 Y N 1.272 121.775 120.300 0.338 0.000 2.483 397 Y HA -0.106 4.443 4.550 -0.001 0.000 0.291 397 Y C 1.950 178.068 175.900 0.363 0.000 1.143 397 Y CA 0.205 58.558 58.100 0.422 0.000 1.289 397 Y CB 0.279 38.936 38.460 0.327 0.000 0.983 397 Y HN 0.400 nan 8.280 nan 0.000 0.556 398 E N 0.029 120.481 120.200 0.421 0.000 2.216 398 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 398 E C 0.129 176.953 176.600 0.374 0.000 0.988 398 E CA -0.032 56.569 56.400 0.335 0.000 0.834 398 E CB 0.018 29.866 29.700 0.247 0.000 0.772 398 E HN 0.196 nan 8.360 nan 0.000 0.479 399 F N 1.197 121.303 119.950 0.260 0.000 2.484 399 F HA 0.093 4.619 4.527 -0.001 0.000 0.360 399 F C -0.442 175.541 175.800 0.303 0.000 1.101 399 F CA -0.548 57.603 58.000 0.252 0.000 1.251 399 F CB 0.370 39.480 39.000 0.183 0.000 1.132 399 F HN -0.149 nan 8.300 nan 0.000 0.570 400 Y N 7.885 127.878 120.300 -0.512 0.000 2.334 400 Y HA 0.476 5.025 4.550 -0.001 0.000 0.336 400 Y C -1.931 173.748 175.900 -0.369 0.000 0.960 400 Y CA -1.558 56.377 58.100 -0.275 0.000 1.164 400 Y CB 0.733 39.112 38.460 -0.135 0.000 1.155 400 Y HN 0.535 nan 8.280 nan 0.000 0.478 401 F N 8.958 128.373 119.950 -0.892 0.000 2.585 401 F HA 0.583 5.109 4.527 -0.001 0.000 0.319 401 F C -2.733 172.658 175.800 -0.681 0.000 1.165 401 F CA -2.635 54.933 58.000 -0.720 0.000 0.949 401 F CB 1.705 40.576 39.000 -0.214 0.000 1.218 401 F HN 0.392 nan 8.300 nan 0.000 0.453 402 P HA 0.223 nan 4.420 nan 0.000 0.266 402 P C -0.179 176.933 177.300 -0.315 0.000 1.195 402 P CA 0.057 62.733 63.100 -0.707 0.000 0.768 402 P CB 0.750 31.768 31.700 -1.137 0.000 0.838 403 G N 1.216 109.906 108.800 -0.183 0.000 2.502 403 G HA2 0.271 4.230 3.960 -0.001 0.000 0.305 403 G HA3 0.271 4.230 3.960 -0.001 0.000 0.305 403 G C 0.258 174.942 174.900 -0.360 0.000 1.190 403 G CA -0.522 44.449 45.100 -0.215 0.000 0.933 403 G HN 0.562 nan 8.290 nan 0.000 0.503 404 Y N -1.137 118.916 120.300 -0.411 0.000 2.274 404 Y HA 0.046 4.595 4.550 -0.001 0.000 0.290 404 Y C 2.418 178.006 175.900 -0.519 0.000 1.145 404 Y CA 0.978 58.726 58.100 -0.587 0.000 1.203 404 Y CB -0.799 36.929 38.460 -1.219 0.000 0.984 404 Y HN 0.346 nan 8.280 nan 0.000 0.533 405 A N 0.872 123.257 122.820 -0.723 0.000 2.216 405 A HA -0.095 4.224 4.320 -0.001 0.000 0.214 405 A C 1.701 179.182 177.584 -0.172 0.000 1.160 405 A CA 0.987 52.679 52.037 -0.574 0.000 0.725 405 A CB -0.757 17.759 19.000 -0.806 0.000 0.784 405 A HN 0.654 nan 8.150 nan 0.000 0.472 406 E N -1.116 119.022 120.200 -0.104 0.000 2.416 406 E HA 0.266 4.615 4.350 -0.001 0.000 0.189 406 E C 1.310 178.028 176.600 0.196 0.000 1.091 406 E CA 0.227 56.681 56.400 0.090 0.000 0.889 406 E CB -0.201 29.548 29.700 0.082 0.000 1.015 406 E HN 0.693 nan 8.360 nan 0.000 0.479 407 G N 0.498 109.431 108.800 0.221 0.000 2.299 407 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.237 407 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.237 407 G C 0.927 176.027 174.900 0.334 0.000 1.027 407 G CA -0.063 45.231 45.100 0.324 0.000 0.619 407 G HN 0.744 nan 8.290 nan 0.000 0.513 408 G N 0.754 109.753 108.800 0.333 0.000 2.629 408 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.313 408 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.313 408 G C 1.329 176.502 174.900 0.455 0.000 1.217 408 G CA 2.385 47.744 45.100 0.432 0.000 0.994 408 G HN 2.006 nan 8.290 nan 0.000 0.549 409 I N 0.028 120.708 120.570 0.184 0.000 3.684 409 I HA 0.324 4.493 4.170 -0.001 0.000 0.304 409 I C 2.265 178.473 176.117 0.151 0.000 1.278 409 I CA 1.512 62.813 61.300 0.002 0.000 1.272 409 I CB 0.109 37.640 38.000 -0.782 0.000 1.029 409 I HN 0.515 nan 8.210 nan 0.000 0.458 410 S N 1.186 117.007 115.700 0.202 0.000 2.406 410 S HA 0.169 4.638 4.470 -0.001 0.000 0.224 410 S C 1.911 176.538 174.600 0.046 0.000 1.030 410 S CA 0.639 58.919 58.200 0.132 0.000 0.958 410 S CB -0.646 62.666 63.200 0.187 0.000 0.811 410 S HN 0.751 nan 8.310 nan 0.000 0.489 411 G N 1.863 110.765 108.800 0.170 0.000 2.179 411 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.257 411 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.257 411 G C -0.197 174.631 174.900 -0.121 0.000 1.010 411 G CA 0.371 45.465 45.100 -0.010 0.000 0.736 411 G HN 0.670 nan 8.290 nan 0.000 0.513 412 D N 0.017 120.393 120.400 -0.040 0.000 2.367 412 D HA 0.257 4.896 4.640 -0.001 0.000 0.255 412 D C 1.536 177.795 176.300 -0.068 0.000 1.300 412 D CA -0.092 53.842 54.000 -0.111 0.000 0.959 412 D CB -0.187 40.499 40.800 -0.190 0.000 1.064 412 D HN 0.193 nan 8.370 nan 0.000 0.509 413 C N 2.827 122.072 119.300 -0.092 0.000 2.491 413 C HA -0.017 4.442 4.460 -0.001 0.000 0.277 413 C C 2.078 177.070 174.990 0.002 0.000 1.455 413 C CA 0.099 59.095 59.018 -0.038 0.000 1.758 413 C CB -0.888 26.807 27.740 -0.075 0.000 1.745 413 C HN 0.731 nan 8.230 nan 0.000 0.558 414 E N 0.490 120.659 120.200 -0.053 0.000 2.413 414 E HA 0.040 4.389 4.350 -0.001 0.000 0.203 414 E C 1.288 177.852 176.600 -0.061 0.000 0.957 414 E CA 0.422 56.797 56.400 -0.043 0.000 0.950 414 E CB 0.085 29.736 29.700 -0.082 0.000 0.957 414 E HN 0.518 nan 8.360 nan 0.000 0.497 415 N N 0.537 119.148 118.700 -0.148 0.000 2.204 415 N HA 0.074 4.813 4.740 -0.001 0.000 0.219 415 N C -0.617 174.946 175.510 0.088 0.000 1.151 415 N CA 0.455 53.396 53.050 -0.182 0.000 0.867 415 N CB 1.529 39.590 38.487 -0.711 0.000 1.043 415 N HN 0.120 nan 8.380 nan 0.000 0.516 416 S N -1.415 114.387 115.700 0.170 0.000 2.625 416 S HA 0.616 5.085 4.470 -0.001 0.000 0.271 416 S C -0.244 174.512 174.600 0.259 0.000 1.161 416 S CA -0.654 57.743 58.200 0.329 0.000 0.820 416 S CB 1.621 65.037 63.200 0.360 0.000 1.137 416 S HN -0.041 nan 8.310 nan 0.000 0.470 417 A N 0.324 123.301 122.820 0.262 0.000 2.327 417 A HA 0.655 4.974 4.320 -0.001 0.000 0.228 417 A C 1.834 179.619 177.584 0.335 0.000 1.275 417 A CA 0.520 52.750 52.037 0.322 0.000 0.875 417 A CB -1.365 17.849 19.000 0.356 0.000 0.925 417 A HN 1.440 nan 8.150 nan 0.000 0.493 418 A N -0.087 122.885 122.820 0.253 0.000 1.978 418 A HA 0.009 4.329 4.320 -0.001 0.000 0.220 418 A C 2.245 179.889 177.584 0.099 0.000 1.170 418 A CA 1.804 53.970 52.037 0.216 0.000 0.636 418 A CB -1.020 18.078 19.000 0.163 0.000 0.810 418 A HN 0.788 nan 8.150 nan 0.000 0.448 419 G N -1.770 107.096 108.800 0.110 0.000 2.470 419 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.220 419 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.220 419 G C 1.321 176.465 174.900 0.407 0.000 1.121 419 G CA 0.993 46.181 45.100 0.145 0.000 0.766 419 G HN 0.501 nan 8.290 nan 0.000 0.553 420 F N 0.419 120.458 119.950 0.148 0.000 2.113 420 F HA 0.138 4.664 4.527 -0.001 0.000 0.297 420 F C 2.260 178.052 175.800 -0.014 0.000 1.103 420 F CA 2.143 60.102 58.000 -0.070 0.000 1.248 420 F CB 0.247 38.924 39.000 -0.539 0.000 0.999 420 F HN 0.163 nan 8.300 nan 0.000 0.475 421 K N -3.125 117.360 120.400 0.141 0.000 2.929 421 K HA -0.035 4.284 4.320 -0.001 0.000 0.188 421 K C 1.790 178.511 176.600 0.202 0.000 1.654 421 K CA 0.146 56.478 56.287 0.075 0.000 1.349 421 K CB -0.875 31.457 32.500 -0.280 0.000 1.879 421 K HN 0.073 nan 8.250 nan 0.000 0.626 422 F N 2.722 122.736 119.950 0.107 0.000 2.126 422 F HA -0.066 4.460 4.527 -0.001 0.000 0.299 422 F C 1.978 177.735 175.800 -0.073 0.000 1.096 422 F CA 2.036 60.067 58.000 0.051 0.000 1.255 422 F CB -0.405 38.638 39.000 0.072 0.000 0.997 422 F HN 0.192 nan 8.300 nan 0.000 0.479 423 A N -0.274 122.424 122.820 -0.204 0.000 1.917 423 A HA -0.263 4.056 4.320 -0.001 0.000 0.219 423 A C 2.043 179.350 177.584 -0.462 0.000 1.182 423 A CA 1.960 53.780 52.037 -0.362 0.000 0.633 423 A CB -1.799 16.841 19.000 -0.600 0.000 0.819 423 A HN 0.654 nan 8.150 nan 0.000 0.448 424 W N -0.681 120.545 121.300 -0.124 0.000 2.465 424 W HA 0.027 4.686 4.660 -0.001 0.000 0.268 424 W C 2.428 178.807 176.519 -0.233 0.000 1.242 424 W CA 0.835 58.084 57.345 -0.160 0.000 1.248 424 W CB -0.095 29.252 29.460 -0.189 0.000 1.118 424 W HN 0.221 nan 8.180 nan 0.000 0.587 425 R N -0.836 119.541 120.500 -0.205 0.000 2.128 425 R HA 0.069 4.408 4.340 -0.001 0.000 0.211 425 R C 2.009 177.996 176.300 -0.521 0.000 1.067 425 R CA 0.875 56.787 56.100 -0.313 0.000 1.010 425 R CB -0.481 29.645 30.300 -0.291 0.000 0.922 425 R HN 0.136 nan 8.270 nan 0.000 0.457 426 M N 0.024 119.092 119.600 -0.886 0.000 2.236 426 M HA 0.066 4.545 4.480 -0.001 0.000 0.266 426 M C -0.365 175.339 176.300 -0.994 0.000 1.070 426 M CA 1.554 56.197 55.300 -1.095 0.000 1.137 426 M CB 0.383 32.022 32.600 -1.602 0.000 1.378 426 M HN -0.179 nan 8.290 nan 0.000 0.426 427 F N 0.084 119.838 119.950 -0.328 0.000 2.492 427 F HA 0.309 4.835 4.527 -0.001 0.000 0.327 427 F C 0.621 176.271 175.800 -0.251 0.000 1.079 427 F CA -0.950 56.888 58.000 -0.270 0.000 0.967 427 F CB 1.006 39.848 39.000 -0.265 0.000 1.169 427 F HN 0.144 nan 8.300 nan 0.000 0.472 428 D N -0.854 119.474 120.400 -0.120 0.000 2.469 428 D HA 0.191 4.830 4.640 -0.001 0.000 0.213 428 D C 1.444 177.640 176.300 -0.173 0.000 1.135 428 D CA 0.194 54.110 54.000 -0.140 0.000 0.834 428 D CB 0.358 41.068 40.800 -0.151 0.000 1.009 428 D HN 0.779 nan 8.370 nan 0.000 0.507 429 G N 0.655 109.276 108.800 -0.298 0.000 2.203 429 G HA2 -0.393 3.567 3.960 -0.001 0.000 0.263 429 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.263 429 G C 0.832 175.599 174.900 -0.222 0.000 1.012 429 G CA 1.112 46.051 45.100 -0.269 0.000 0.749 429 G HN 0.495 nan 8.290 nan 0.000 0.512 430 K N -2.404 117.770 120.400 -0.375 0.000 2.735 430 K HA 0.139 4.458 4.320 -0.001 0.000 0.197 430 K C 2.365 178.941 176.600 -0.040 0.000 1.468 430 K CA 0.878 57.109 56.287 -0.093 0.000 1.109 430 K CB 0.130 32.596 32.500 -0.058 0.000 1.732 430 K HN 0.364 nan 8.250 nan 0.000 0.541 431 T N -2.048 112.398 114.554 -0.181 0.000 2.978 431 T HA 0.094 4.444 4.350 -0.001 0.000 0.248 431 T C 0.697 175.382 174.700 -0.025 0.000 1.018 431 T CA 0.164 62.248 62.100 -0.027 0.000 1.026 431 T CB 0.672 69.507 68.868 -0.054 0.000 1.032 431 T HN -0.010 nan 8.240 nan 0.000 0.485 432 T N 1.084 115.484 114.554 -0.257 0.000 2.861 432 T HA 0.669 5.018 4.350 -0.001 0.000 0.287 432 T C -1.985 172.620 174.700 -0.158 0.000 1.003 432 T CA -0.756 61.337 62.100 -0.012 0.000 0.977 432 T CB 0.759 69.641 68.868 0.023 0.000 0.996 432 T HN 0.170 nan 8.240 nan 0.000 0.448 433 F N 4.169 124.310 119.950 0.318 0.000 2.577 433 F HA 0.617 5.143 4.527 -0.001 0.000 0.318 433 F C -2.151 173.503 175.800 -0.244 0.000 1.065 433 F CA -2.297 55.744 58.000 0.068 0.000 0.929 433 F CB 1.585 40.587 39.000 0.003 0.000 1.237 433 F HN 0.368 nan 8.300 nan 0.000 0.468 434 P HA 0.203 nan 4.420 nan 0.000 0.277 434 P C -0.929 176.207 177.300 -0.273 0.000 1.271 434 P CA -0.585 61.993 63.100 -0.869 0.000 0.795 434 P CB 0.874 32.003 31.700 -0.952 0.000 1.101 435 S N 0.350 115.927 115.700 -0.205 0.000 2.399 435 S HA 0.484 4.953 4.470 -0.001 0.000 0.215 435 S C -2.700 171.827 174.600 -0.120 0.000 1.456 435 S CA -1.732 56.410 58.200 -0.097 0.000 1.199 435 S CB -0.536 62.650 63.200 -0.022 0.000 1.063 435 S HN 0.133 nan 8.310 nan 0.000 0.476 436 P HA 0.318 nan 4.420 nan 0.000 0.276 436 P C -0.950 176.283 177.300 -0.112 0.000 1.244 436 P CA -0.452 62.570 63.100 -0.130 0.000 0.801 436 P CB 0.937 32.569 31.700 -0.112 0.000 1.006 437 S N 1.024 116.648 115.700 -0.128 0.000 2.552 437 S HA 0.285 4.754 4.470 -0.001 0.000 0.314 437 S C 0.658 175.200 174.600 -0.096 0.000 1.099 437 S CA -0.682 57.453 58.200 -0.107 0.000 1.070 437 S CB -0.136 62.979 63.200 -0.142 0.000 0.998 437 S HN 0.447 nan 8.310 nan 0.000 0.474 438 N N 5.487 124.154 118.700 -0.056 0.000 2.322 438 N HA 0.109 4.848 4.740 -0.001 0.000 0.194 438 N C 0.780 176.275 175.510 -0.026 0.000 1.126 438 N CA 0.197 53.230 53.050 -0.027 0.000 0.845 438 N CB -0.125 38.366 38.487 0.007 0.000 0.976 438 N HN 0.604 nan 8.380 nan 0.000 0.475 439 L N -0.980 120.186 121.223 -0.095 0.000 2.526 439 L HA 0.213 4.552 4.340 -0.001 0.000 0.210 439 L C 0.511 177.235 176.870 -0.242 0.000 1.048 439 L CA -0.022 54.714 54.840 -0.174 0.000 0.852 439 L CB -0.112 41.827 42.059 -0.200 0.000 1.128 439 L HN 0.000 nan 8.230 nan 0.000 0.482 440 N N 1.293 119.814 118.700 -0.298 0.000 3.178 440 N HA 0.050 4.789 4.740 -0.001 0.000 0.300 440 N C -0.627 174.763 175.510 -0.199 0.000 1.242 440 N CA 0.400 53.269 53.050 -0.302 0.000 1.192 440 N CB -0.030 38.183 38.487 -0.455 0.000 1.463 440 N HN 0.048 nan 8.380 nan 0.000 0.539 441 T N -1.081 113.403 114.554 -0.117 0.000 2.843 441 T HA 0.261 4.611 4.350 -0.001 0.000 0.302 441 T C 0.950 175.660 174.700 0.017 0.000 1.232 441 T CA -0.480 61.580 62.100 -0.066 0.000 1.009 441 T CB 0.917 69.755 68.868 -0.049 0.000 1.254 441 T HN 0.110 nan 8.240 nan 0.000 0.504 442 S N 1.220 116.947 115.700 0.046 0.000 2.387 442 S HA -0.074 4.395 4.470 -0.001 0.000 0.230 442 S C 2.035 176.779 174.600 0.240 0.000 1.035 442 S CA 1.591 59.913 58.200 0.204 0.000 1.014 442 S CB -0.441 62.816 63.200 0.095 0.000 0.836 442 S HN 0.812 nan 8.310 nan 0.000 0.466 443 A N 0.708 123.605 122.820 0.128 0.000 2.238 443 A HA 0.458 4.777 4.320 -0.001 0.000 0.208 443 A C 1.359 179.069 177.584 0.210 0.000 1.177 443 A CA 0.753 52.880 52.037 0.150 0.000 0.804 443 A CB -0.450 18.608 19.000 0.097 0.000 0.823 443 A HN 0.482 nan 8.150 nan 0.000 0.482 444 G N -0.900 107.981 108.800 0.134 0.000 3.182 444 G HA2 0.459 4.418 3.960 -0.001 0.000 0.167 444 G HA3 0.459 4.418 3.960 -0.001 0.000 0.167 444 G C -0.214 174.572 174.900 -0.190 0.000 1.537 444 G CA -0.048 45.038 45.100 -0.023 0.000 1.046 444 G HN 0.400 nan 8.290 nan 0.000 0.580 445 Q N -0.394 119.177 119.800 -0.382 0.000 2.289 445 Q HA 0.426 4.765 4.340 -0.001 0.000 0.270 445 Q C -1.502 174.486 176.000 -0.019 0.000 1.038 445 Q CA -0.902 54.781 55.803 -0.200 0.000 0.812 445 Q CB 1.645 30.136 28.738 -0.413 0.000 1.300 445 Q HN 0.913 nan 8.270 nan 0.000 0.427 446 H N 3.253 122.359 119.070 0.060 0.000 2.990 446 H HA 0.725 5.280 4.556 -0.001 0.000 0.343 446 H C -1.261 174.148 175.328 0.135 0.000 1.270 446 H CA -0.902 55.167 56.048 0.035 0.000 1.118 446 H CB 1.497 31.267 29.762 0.013 0.000 1.861 446 H HN 0.724 nan 8.280 nan 0.000 0.544 447 I N -2.090 118.339 120.570 -0.236 0.000 2.865 447 I HA 0.563 4.732 4.170 -0.001 0.000 0.302 447 I C -3.254 172.554 176.117 -0.516 0.000 1.140 447 I CA -2.883 58.067 61.300 -0.584 0.000 1.021 447 I CB 2.954 40.580 38.000 -0.624 0.000 1.233 447 I HN 0.182 nan 8.210 nan 0.000 0.427 448 P HA 0.242 nan 4.420 nan 0.000 0.276 448 P C 0.117 177.220 177.300 -0.328 0.000 1.235 448 P CA -0.380 62.433 63.100 -0.478 0.000 0.772 448 P CB 1.088 32.440 31.700 -0.580 0.000 0.871 449 R N 3.712 124.114 120.500 -0.164 0.000 2.105 449 R HA -0.120 4.219 4.340 -0.001 0.000 0.239 449 R C 1.432 177.647 176.300 -0.142 0.000 1.135 449 R CA 1.531 57.555 56.100 -0.126 0.000 0.967 449 R CB -0.636 29.641 30.300 -0.038 0.000 0.861 449 R HN 0.442 nan 8.270 nan 0.000 0.442 450 L N 0.307 121.464 121.223 -0.110 0.000 2.362 450 L HA -0.069 4.270 4.340 -0.001 0.000 0.219 450 L C 1.192 177.903 176.870 -0.265 0.000 1.134 450 L CA 0.934 55.720 54.840 -0.089 0.000 0.807 450 L CB 0.015 42.087 42.059 0.023 0.000 0.927 450 L HN 0.060 nan 8.230 nan 0.000 0.447 451 K N -0.425 119.719 120.400 -0.428 0.000 2.564 451 K HA 0.300 4.619 4.320 -0.001 0.000 0.205 451 K C 1.371 177.553 176.600 -0.695 0.000 1.053 451 K CA -0.043 55.823 56.287 -0.701 0.000 1.072 451 K CB 0.754 32.594 32.500 -1.101 0.000 0.822 451 K HN 0.198 nan 8.250 nan 0.000 0.497 452 I N 1.710 121.942 120.570 -0.564 0.000 2.163 452 I HA -0.228 3.941 4.170 -0.001 0.000 0.243 452 I C -0.852 174.889 176.117 -0.628 0.000 1.085 452 I CA 1.530 62.493 61.300 -0.561 0.000 1.347 452 I CB -1.058 36.717 38.000 -0.377 0.000 1.044 452 I HN 0.047 nan 8.210 nan 0.000 0.408 453 P HA -0.163 nan 4.420 nan 0.000 0.215 453 P C 1.279 178.270 177.300 -0.514 0.000 1.157 453 P CA 1.392 64.100 63.100 -0.655 0.000 0.868 453 P CB 0.044 31.273 31.700 -0.784 0.000 0.788 454 E N -1.079 118.801 120.200 -0.534 0.000 2.077 454 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 454 E C 2.136 178.541 176.600 -0.325 0.000 0.989 454 E CA 1.112 57.259 56.400 -0.420 0.000 0.800 454 E CB -1.465 27.906 29.700 -0.548 0.000 0.746 454 E HN 0.227 nan 8.360 nan 0.000 0.452 455 C N 0.236 119.284 119.300 -0.420 0.000 2.432 455 C HA -0.063 4.396 4.460 -0.001 0.000 0.277 455 C C 2.564 177.413 174.990 -0.236 0.000 1.249 455 C CA 0.360 59.187 59.018 -0.319 0.000 1.725 455 C CB -0.868 26.406 27.740 -0.778 0.000 2.028 455 C HN 0.374 nan 8.230 nan 0.000 0.477 456 I N 0.444 120.783 120.570 -0.385 0.000 2.163 456 I HA -0.231 3.938 4.170 -0.001 0.000 0.240 456 I C 2.524 178.317 176.117 -0.539 0.000 1.081 456 I CA 1.737 62.811 61.300 -0.376 0.000 1.353 456 I CB -0.372 37.379 38.000 -0.415 0.000 1.054 456 I HN 0.342 nan 8.210 nan 0.000 0.407 457 M N -0.207 119.066 119.600 -0.545 0.000 2.334 457 M HA 0.026 4.505 4.480 -0.001 0.000 0.266 457 M C 2.111 178.213 176.300 -0.329 0.000 1.082 457 M CA 1.472 56.383 55.300 -0.648 0.000 1.141 457 M CB -0.425 31.984 32.600 -0.319 0.000 1.380 457 M HN 0.292 nan 8.290 nan 0.000 0.440 458 G N -0.853 107.834 108.800 -0.188 0.000 2.719 458 G HA2 0.276 4.235 3.960 -0.001 0.000 0.211 458 G HA3 0.276 4.235 3.960 -0.001 0.000 0.211 458 G C 1.192 176.102 174.900 0.017 0.000 1.140 458 G CA 0.531 45.602 45.100 -0.048 0.000 0.790 458 G HN 0.572 nan 8.290 nan 0.000 0.529 459 G N -0.546 108.275 108.800 0.035 0.000 2.168 459 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.263 459 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.263 459 G C 0.145 175.146 174.900 0.167 0.000 0.977 459 G CA 1.012 46.184 45.100 0.121 0.000 0.659 459 G HN 0.845 nan 8.290 nan 0.000 0.533 460 K N -1.508 119.048 120.400 0.261 0.000 2.578 460 K HA 0.684 5.003 4.320 -0.001 0.000 0.269 460 K C -1.979 174.906 176.600 0.474 0.000 0.941 460 K CA -0.979 55.489 56.287 0.303 0.000 0.847 460 K CB 1.382 33.970 32.500 0.147 0.000 1.397 460 K HN 0.393 nan 8.250 nan 0.000 0.422 461 F N 1.263 121.410 119.950 0.329 0.000 2.770 461 F HA 0.400 4.926 4.527 -0.001 0.000 0.313 461 F C -1.877 174.199 175.800 0.461 0.000 1.154 461 F CA -0.421 57.787 58.000 0.347 0.000 0.923 461 F CB 2.022 41.205 39.000 0.305 0.000 1.301 461 F HN 0.432 nan 8.300 nan 0.000 0.449 462 Q N 3.028 122.640 119.800 -0.313 0.000 2.309 462 Q HA 0.491 4.830 4.340 -0.001 0.000 0.273 462 Q C -1.969 173.967 176.000 -0.105 0.000 1.040 462 Q CA -0.380 55.339 55.803 -0.140 0.000 0.834 462 Q CB 2.874 31.521 28.738 -0.153 0.000 1.345 462 Q HN 0.797 nan 8.270 nan 0.000 0.414 463 W N 0.948 122.253 121.300 0.008 0.000 2.874 463 W HA 0.735 5.394 4.660 -0.001 0.000 0.403 463 W C -1.534 175.177 176.519 0.320 0.000 1.144 463 W CA -0.757 56.683 57.345 0.158 0.000 1.175 463 W CB 0.416 30.077 29.460 0.335 0.000 1.483 463 W HN 0.331 nan 8.180 nan 0.000 0.591 464 S N 1.175 117.207 115.700 0.554 0.000 2.472 464 S HA 0.737 5.207 4.470 -0.001 0.000 0.303 464 S C 0.076 175.166 174.600 0.816 0.000 1.099 464 S CA 0.186 58.706 58.200 0.534 0.000 1.077 464 S CB 0.861 64.351 63.200 0.483 0.000 1.031 464 S HN 1.627 nan 8.310 nan 0.000 0.487 465 G N 2.072 111.369 108.800 0.828 0.000 2.755 465 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.686 465 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.686 465 G C -0.822 174.449 174.900 0.619 0.000 1.427 465 G CA -0.660 44.917 45.100 0.796 0.000 0.873 465 G HN 0.741 nan 8.290 nan 0.000 0.580 466 K N 1.341 121.896 120.400 0.259 0.000 2.507 466 K HA 0.571 4.890 4.320 -0.001 0.000 0.253 466 K C 1.364 177.955 176.600 -0.014 0.000 0.969 466 K CA 0.535 56.732 56.287 -0.151 0.000 0.908 466 K CB 0.493 32.631 32.500 -0.604 0.000 1.127 466 K HN 2.390 nan 8.250 nan 0.000 0.437 467 G N 3.539 112.381 108.800 0.071 0.000 2.660 467 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.321 467 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.321 467 G C -0.500 174.589 174.900 0.315 0.000 1.246 467 G CA 0.211 45.403 45.100 0.153 0.000 1.000 467 G HN 0.533 nan 8.290 nan 0.000 0.550 468 F N 2.601 122.530 119.950 -0.035 0.000 2.404 468 F HA 0.609 5.135 4.527 -0.001 0.000 0.359 468 F C 1.137 176.951 175.800 0.023 0.000 1.134 468 F CA -0.945 56.995 58.000 -0.101 0.000 1.160 468 F CB 0.812 39.731 39.000 -0.135 0.000 1.186 468 F HN 0.699 nan 8.300 nan 0.000 0.526 469 A N 2.703 125.694 122.820 0.286 0.000 3.126 469 A HA 0.504 4.823 4.320 -0.001 0.000 0.268 469 A C 1.444 179.064 177.584 0.060 0.000 1.605 469 A CA 0.101 52.258 52.037 0.200 0.000 1.305 469 A CB -0.854 18.241 19.000 0.158 0.000 1.160 469 A HN 0.829 nan 8.150 nan 0.000 0.609 470 G N -0.236 108.623 108.800 0.098 0.000 3.042 470 G HA2 0.253 4.212 3.960 -0.001 0.000 0.212 470 G HA3 0.253 4.212 3.960 -0.001 0.000 0.212 470 G C 1.114 176.051 174.900 0.062 0.000 1.166 470 G CA 0.747 45.864 45.100 0.028 0.000 0.767 470 G HN 0.682 nan 8.290 nan 0.000 0.546 471 G N -0.175 108.673 108.800 0.080 0.000 2.418 471 G HA2 0.108 4.067 3.960 -0.001 0.000 0.217 471 G HA3 0.108 4.067 3.960 -0.001 0.000 0.217 471 G C 0.338 175.061 174.900 -0.294 0.000 1.158 471 G CA 1.124 46.236 45.100 0.020 0.000 0.771 471 G HN 0.483 nan 8.290 nan 0.000 0.545 472 D N -3.185 116.820 120.400 -0.658 0.000 2.653 472 D HA 0.220 4.859 4.640 -0.001 0.000 0.258 472 D C 1.256 177.328 176.300 -0.381 0.000 1.252 472 D CA -0.770 52.938 54.000 -0.487 0.000 0.777 472 D CB 0.251 40.710 40.800 -0.570 0.000 1.339 472 D HN -0.105 nan 8.370 nan 0.000 0.422 473 I N 0.322 120.751 120.570 -0.236 0.000 2.145 473 I HA -0.249 3.920 4.170 -0.001 0.000 0.244 473 I C 1.554 177.554 176.117 -0.194 0.000 1.075 473 I CA 1.271 62.420 61.300 -0.251 0.000 1.332 473 I CB -0.236 37.666 38.000 -0.163 0.000 1.033 473 I HN 0.227 nan 8.210 nan 0.000 0.410 474 S N -1.325 114.333 115.700 -0.071 0.000 2.593 474 S HA 0.006 4.475 4.470 -0.001 0.000 0.217 474 S C 1.470 176.151 174.600 0.135 0.000 0.966 474 S CA -0.037 58.180 58.200 0.028 0.000 0.914 474 S CB -0.470 62.765 63.200 0.058 0.000 0.776 474 S HN 0.499 nan 8.310 nan 0.000 0.523 475 H N 2.027 121.095 119.070 -0.003 0.000 2.421 475 H HA -0.121 4.434 4.556 -0.001 0.000 0.298 475 H C 2.407 177.807 175.328 0.119 0.000 1.087 475 H CA 1.298 57.381 56.048 0.058 0.000 1.330 475 H CB 0.067 29.858 29.762 0.049 0.000 1.388 475 H HN 0.602 nan 8.280 nan 0.000 0.526 476 Q N 1.044 120.944 119.800 0.168 0.000 2.437 476 Q HA -0.071 4.268 4.340 -0.001 0.000 0.210 476 Q C 1.576 177.740 176.000 0.274 0.000 0.972 476 Q CA 0.870 56.792 55.803 0.198 0.000 0.903 476 Q CB -0.086 28.618 28.738 -0.056 0.000 0.967 476 Q HN 0.499 nan 8.270 nan 0.000 0.486 477 L N 0.155 121.424 121.223 0.076 0.000 2.509 477 L HA 0.126 4.465 4.340 -0.001 0.000 0.222 477 L C 1.360 178.207 176.870 -0.038 0.000 1.123 477 L CA -0.270 54.469 54.840 -0.168 0.000 0.856 477 L CB -0.404 41.311 42.059 -0.573 0.000 0.985 477 L HN 0.354 nan 8.230 nan 0.000 0.456 478 H N 2.142 121.216 119.070 0.007 0.000 2.897 478 H HA 0.052 4.607 4.556 -0.001 0.000 0.347 478 H C -0.273 174.942 175.328 -0.189 0.000 1.068 478 H CA 0.329 56.308 56.048 -0.114 0.000 1.426 478 H CB 0.823 30.498 29.762 -0.145 0.000 1.410 478 H HN 0.082 nan 8.280 nan 0.000 0.597 479 Q N 4.590 123.960 119.800 -0.717 0.000 2.257 479 Q HA 0.212 4.551 4.340 -0.001 0.000 0.255 479 Q C -0.925 174.664 176.000 -0.684 0.000 0.920 479 Q CA -0.318 55.204 55.803 -0.468 0.000 0.927 479 Q CB 1.193 29.759 28.738 -0.286 0.000 1.229 479 Q HN 0.497 nan 8.270 nan 0.000 0.433 480 Y N -0.015 120.007 120.300 -0.463 0.000 2.602 480 Y HA 0.432 4.981 4.550 -0.001 0.000 0.342 480 Y C 0.363 175.692 175.900 -0.951 0.000 1.029 480 Y CA -0.976 56.716 58.100 -0.680 0.000 1.080 480 Y CB 1.872 39.803 38.460 -0.882 0.000 1.284 480 Y HN 0.510 nan 8.280 nan 0.000 0.485 481 E N 0.335 120.240 120.200 -0.491 0.000 2.408 481 E HA 0.484 4.834 4.350 -0.001 0.000 0.275 481 E C -2.252 174.416 176.600 0.113 0.000 0.935 481 E CA -1.113 55.147 56.400 -0.234 0.000 0.775 481 E CB 3.000 32.652 29.700 -0.079 0.000 1.277 481 E HN 0.577 nan 8.360 nan 0.000 0.455 482 Y N 1.876 122.322 120.300 0.243 0.000 2.373 482 Y HA 0.419 4.968 4.550 -0.001 0.000 0.336 482 Y C -2.803 173.210 175.900 0.189 0.000 0.979 482 Y CA -2.308 55.967 58.100 0.291 0.000 1.080 482 Y CB 2.164 40.876 38.460 0.420 0.000 1.190 482 Y HN 0.412 nan 8.280 nan 0.000 0.446 483 P HA 0.247 nan 4.420 nan 0.000 0.274 483 P C -0.814 176.470 177.300 -0.026 0.000 1.231 483 P CA -0.152 62.628 63.100 -0.534 0.000 0.790 483 P CB 1.180 32.596 31.700 -0.474 0.000 0.951 484 A N 4.035 126.949 122.820 0.156 0.000 2.407 484 A HA 0.363 4.682 4.320 -0.001 0.000 0.248 484 A C -2.062 175.661 177.584 0.232 0.000 1.082 484 A CA -1.395 50.784 52.037 0.237 0.000 0.785 484 A CB -1.473 17.727 19.000 0.333 0.000 1.020 484 A HN 0.403 nan 8.150 nan 0.000 0.489 485 P HA 0.138 nan 4.420 nan 0.000 0.258 485 P C 1.079 178.375 177.300 -0.006 0.000 1.172 485 P CA 2.208 65.347 63.100 0.065 0.000 0.762 485 P CB 0.272 32.002 31.700 0.049 0.000 0.764 486 G N 1.652 110.416 108.800 -0.061 0.000 2.253 486 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.251 486 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.251 486 G C 0.001 174.756 174.900 -0.242 0.000 0.998 486 G CA -0.299 44.691 45.100 -0.183 0.000 0.621 486 G HN 0.453 nan 8.290 nan 0.000 0.524 487 Y N 0.875 121.196 120.300 0.034 0.000 2.392 487 Y HA 0.657 5.207 4.550 -0.001 0.000 0.323 487 Y C 1.052 176.973 175.900 0.034 0.000 1.291 487 Y CA 0.148 58.278 58.100 0.050 0.000 1.345 487 Y CB 1.433 39.936 38.460 0.070 0.000 1.320 487 Y HN 0.167 nan 8.280 nan 0.000 0.518 488 S N 0.600 116.462 115.700 0.270 0.000 2.617 488 S HA 0.374 4.843 4.470 -0.001 0.000 0.283 488 S C -0.586 174.077 174.600 0.105 0.000 1.189 488 S CA -0.918 57.380 58.200 0.163 0.000 1.036 488 S CB 0.457 63.789 63.200 0.220 0.000 1.014 488 S HN 0.531 nan 8.310 nan 0.000 0.522 489 K N 2.091 122.498 120.400 0.013 0.000 2.180 489 K HA 0.268 4.587 4.320 -0.001 0.000 0.251 489 K C -0.052 176.608 176.600 0.101 0.000 1.014 489 K CA -0.595 55.710 56.287 0.030 0.000 0.913 489 K CB 0.239 32.720 32.500 -0.032 0.000 1.008 489 K HN 0.492 nan 8.250 nan 0.000 0.490 490 I N 2.788 123.474 120.570 0.194 0.000 2.648 490 I HA -0.065 4.105 4.170 -0.001 0.000 0.284 490 I C 1.197 177.323 176.117 0.017 0.000 1.153 490 I CA 0.630 61.980 61.300 0.083 0.000 1.426 490 I CB 0.491 38.485 38.000 -0.009 0.000 1.381 490 I HN 0.586 nan 8.210 nan 0.000 0.571 491 K N 5.209 125.627 120.400 0.030 0.000 2.424 491 K HA 0.294 4.614 4.320 -0.001 0.000 0.198 491 K C 0.223 176.916 176.600 0.156 0.000 1.190 491 K CA 0.630 56.933 56.287 0.027 0.000 0.935 491 K CB 0.634 33.098 32.500 -0.060 0.000 1.087 491 K HN 0.743 nan 8.250 nan 0.000 0.524 492 M N -1.930 117.799 119.600 0.215 0.000 2.593 492 M HA 0.506 4.985 4.480 -0.001 0.000 0.290 492 M C -1.577 174.935 176.300 0.353 0.000 1.244 492 M CA -0.791 54.695 55.300 0.310 0.000 0.857 492 M CB 2.779 35.631 32.600 0.420 0.000 1.738 492 M HN -0.100 nan 8.290 nan 0.000 0.461 493 F N 3.120 123.151 119.950 0.135 0.000 2.499 493 F HA 0.478 5.004 4.527 -0.001 0.000 0.333 493 F C -1.785 174.126 175.800 0.186 0.000 1.138 493 F CA -0.641 57.451 58.000 0.152 0.000 0.945 493 F CB 1.428 40.475 39.000 0.079 0.000 1.181 493 F HN 0.776 nan 8.300 nan 0.000 0.435 494 W N 9.098 130.602 121.300 0.341 0.000 2.295 494 W HA 0.346 5.006 4.660 -0.001 0.000 0.333 494 W C -1.130 175.378 176.519 -0.020 0.000 0.990 494 W CA -1.014 56.391 57.345 0.100 0.000 1.453 494 W CB 0.917 30.486 29.460 0.182 0.000 1.263 494 W HN 0.512 nan 8.180 nan 0.000 0.380 495 K N 4.290 124.726 120.400 0.060 0.000 2.174 495 K HA 0.118 4.437 4.320 -0.001 0.000 0.275 495 K C -1.334 175.400 176.600 0.223 0.000 1.015 495 K CA -0.713 55.524 56.287 -0.083 0.000 0.933 495 K CB 1.860 34.118 32.500 -0.403 0.000 1.025 495 K HN 0.296 nan 8.250 nan 0.000 0.463 496 Y N 1.682 121.996 120.300 0.023 0.000 2.575 496 Y HA 0.319 4.868 4.550 -0.001 0.000 0.326 496 Y C 0.197 176.038 175.900 -0.099 0.000 0.979 496 Y CA 0.482 58.592 58.100 0.016 0.000 1.286 496 Y CB 0.683 39.118 38.460 -0.042 0.000 1.093 496 Y HN 0.939 nan 8.280 nan 0.000 0.501 497 G N 2.735 111.436 108.800 -0.165 0.000 2.728 497 G HA2 0.218 4.177 3.960 -0.001 0.000 0.294 497 G HA3 0.218 4.177 3.960 -0.001 0.000 0.294 497 G C -0.107 174.671 174.900 -0.204 0.000 1.342 497 G CA -0.360 44.635 45.100 -0.176 0.000 0.866 497 G HN 1.483 nan 8.290 nan 0.000 0.534 498 G N -1.175 107.491 108.800 -0.223 0.000 4.485 498 G HA2 0.708 4.667 3.960 -0.001 0.000 0.238 498 G HA3 0.708 4.667 3.960 -0.001 0.000 0.238 498 G C -1.346 173.402 174.900 -0.253 0.000 1.216 498 G CA 0.750 45.689 45.100 -0.269 0.000 0.611 498 G HN 0.761 nan 8.290 nan 0.000 0.422 499 P HA 0.053 nan 4.420 nan 0.000 0.264 499 P C 0.912 178.093 177.300 -0.197 0.000 1.259 499 P CA 0.284 63.254 63.100 -0.217 0.000 0.841 499 P CB 0.279 31.874 31.700 -0.174 0.000 1.232 500 H N 0.310 119.200 119.070 -0.300 0.000 2.426 500 H HA -0.067 4.488 4.556 -0.001 0.000 0.298 500 H C 1.902 176.898 175.328 -0.554 0.000 1.107 500 H CA 0.635 56.382 56.048 -0.502 0.000 1.298 500 H CB -0.385 28.983 29.762 -0.656 0.000 1.377 500 H HN 0.094 nan 8.280 nan 0.000 0.519 501 L N -0.349 120.699 121.223 -0.291 0.000 2.275 501 L HA -0.084 4.255 4.340 -0.001 0.000 0.215 501 L C 2.480 179.182 176.870 -0.280 0.000 1.119 501 L CA 0.983 55.621 54.840 -0.336 0.000 0.790 501 L CB 0.023 41.807 42.059 -0.457 0.000 0.919 501 L HN 0.341 nan 8.230 nan 0.000 0.443 502 G N -1.849 106.802 108.800 -0.249 0.000 2.939 502 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.216 502 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.216 502 G C 1.376 176.141 174.900 -0.224 0.000 1.125 502 G CA 0.767 45.723 45.100 -0.240 0.000 0.766 502 G HN 0.367 nan 8.290 nan 0.000 0.541 503 T N -3.007 111.407 114.554 -0.234 0.000 2.971 503 T HA 0.373 4.722 4.350 -0.001 0.000 0.252 503 T C 1.441 175.988 174.700 -0.255 0.000 1.022 503 T CA -0.190 61.769 62.100 -0.234 0.000 0.980 503 T CB 0.280 69.000 68.868 -0.246 0.000 1.044 503 T HN -0.097 nan 8.240 nan 0.000 0.501 504 M N 2.874 122.273 119.600 -0.336 0.000 2.277 504 M HA 0.448 4.928 4.480 -0.001 0.000 0.210 504 M C 0.581 176.773 176.300 -0.179 0.000 0.951 504 M CA -0.081 55.021 55.300 -0.329 0.000 1.743 504 M CB -0.102 32.117 32.600 -0.634 0.000 1.103 504 M HN 0.324 nan 8.290 nan 0.000 0.856 505 T N -2.207 112.294 114.554 -0.087 0.000 2.887 505 T HA 0.699 5.048 4.350 -0.001 0.000 0.288 505 T C 0.118 174.813 174.700 -0.008 0.000 1.021 505 T CA -0.351 61.727 62.100 -0.037 0.000 1.000 505 T CB 1.471 70.330 68.868 -0.015 0.000 1.034 505 T HN 0.875 nan 8.240 nan 0.000 0.467 506 A N 1.953 124.749 122.820 -0.040 0.000 2.409 506 A HA -0.190 4.129 4.320 -0.001 0.000 0.290 506 A C 1.609 179.179 177.584 -0.023 0.000 1.440 506 A CA 1.192 53.198 52.037 -0.052 0.000 0.775 506 A CB -2.542 16.424 19.000 -0.057 0.000 1.069 506 A HN 1.928 nan 8.150 nan 0.000 0.389 507 T N -1.905 112.636 114.554 -0.021 0.000 3.052 507 T HA -0.179 4.170 4.350 -0.001 0.000 0.270 507 T C 1.395 176.098 174.700 0.004 0.000 1.147 507 T CA 1.362 63.485 62.100 0.039 0.000 1.089 507 T CB -0.426 68.362 68.868 -0.133 0.000 0.875 507 T HN 0.593 nan 8.240 nan 0.000 0.541 508 N N 2.152 120.823 118.700 -0.047 0.000 2.364 508 N HA -0.098 4.641 4.740 -0.001 0.000 0.183 508 N C 2.109 177.599 175.510 -0.034 0.000 1.022 508 N CA 1.248 54.276 53.050 -0.036 0.000 0.883 508 N CB -0.333 38.142 38.487 -0.020 0.000 0.965 508 N HN 0.768 nan 8.380 nan 0.000 0.438 509 R N -0.627 119.835 120.500 -0.064 0.000 2.148 509 R HA -0.094 4.245 4.340 -0.001 0.000 0.227 509 R C 1.275 177.419 176.300 -0.261 0.000 1.103 509 R CA 0.981 56.980 56.100 -0.167 0.000 0.983 509 R CB -0.783 29.366 30.300 -0.252 0.000 0.874 509 R HN 0.250 nan 8.270 nan 0.000 0.451 510 Y N 1.470 121.645 120.300 -0.209 0.000 2.314 510 Y HA 0.034 4.584 4.550 -0.001 0.000 0.293 510 Y C 2.828 178.571 175.900 -0.262 0.000 1.129 510 Y CA 1.230 59.189 58.100 -0.235 0.000 1.201 510 Y CB -0.179 38.173 38.460 -0.181 0.000 0.999 510 Y HN 0.227 nan 8.280 nan 0.000 0.541 511 A N 0.216 122.965 122.820 -0.119 0.000 1.897 511 A HA -0.159 4.160 4.320 -0.001 0.000 0.215 511 A C 2.126 179.656 177.584 -0.091 0.000 1.181 511 A CA 1.487 53.384 52.037 -0.233 0.000 0.620 511 A CB -0.407 18.582 19.000 -0.018 0.000 0.821 511 A HN 0.353 nan 8.150 nan 0.000 0.443 512 K N -0.173 120.204 120.400 -0.038 0.000 2.147 512 K HA -0.158 4.162 4.320 -0.001 0.000 0.205 512 K C 2.134 178.715 176.600 -0.032 0.000 1.049 512 K CA 1.727 58.016 56.287 0.004 0.000 0.936 512 K CB -0.415 32.081 32.500 -0.007 0.000 0.722 512 K HN 0.814 nan 8.250 nan 0.000 0.446 513 M N -1.272 118.227 119.600 -0.168 0.000 2.279 513 M HA -0.132 4.347 4.480 -0.001 0.000 0.264 513 M C 1.262 177.461 176.300 -0.169 0.000 1.062 513 M CA 1.625 56.788 55.300 -0.228 0.000 1.099 513 M CB -0.649 31.695 32.600 -0.427 0.000 1.394 513 M HN -0.019 nan 8.290 nan 0.000 0.426 514 Y N 2.300 122.544 120.300 -0.094 0.000 2.403 514 Y HA -0.102 4.447 4.550 -0.001 0.000 0.291 514 Y C 2.545 178.502 175.900 0.094 0.000 1.143 514 Y CA 1.736 59.828 58.100 -0.013 0.000 1.257 514 Y CB -0.444 37.949 38.460 -0.112 0.000 0.984 514 Y HN 0.525 nan 8.280 nan 0.000 0.550 515 T N -3.290 111.402 114.554 0.230 0.000 3.144 515 T HA -0.012 4.338 4.350 -0.001 0.000 0.249 515 T C 0.408 175.192 174.700 0.139 0.000 1.089 515 T CA -0.184 62.031 62.100 0.192 0.000 0.989 515 T CB -0.444 68.529 68.868 0.175 0.000 0.992 515 T HN 0.218 nan 8.240 nan 0.000 0.540 516 H N 3.119 122.220 119.070 0.051 0.000 2.803 516 H HA 0.041 4.596 4.556 -0.001 0.000 0.330 516 H C 0.820 176.179 175.328 0.051 0.000 1.057 516 H CA 0.540 56.604 56.048 0.027 0.000 1.458 516 H CB 0.976 30.725 29.762 -0.021 0.000 1.470 516 H HN 0.396 nan 8.280 nan 0.000 0.560 517 D N 2.239 122.448 120.400 -0.318 0.000 2.309 517 D HA -0.186 4.453 4.640 -0.001 0.000 0.212 517 D C 1.460 177.781 176.300 0.035 0.000 0.968 517 D CA 1.088 55.022 54.000 -0.111 0.000 0.882 517 D CB -0.049 40.658 40.800 -0.154 0.000 0.918 517 D HN 0.470 nan 8.370 nan 0.000 0.503 518 S N 0.111 115.927 115.700 0.193 0.000 2.453 518 S HA -0.047 4.422 4.470 -0.001 0.000 0.231 518 S C 1.323 176.025 174.600 0.171 0.000 1.005 518 S CA -0.233 58.107 58.200 0.235 0.000 0.949 518 S CB -0.542 62.859 63.200 0.336 0.000 0.774 518 S HN 0.244 nan 8.310 nan 0.000 0.510 519 L N 2.289 123.627 121.223 0.193 0.000 2.385 519 L HA 0.263 4.602 4.340 -0.001 0.000 0.285 519 L C 1.093 178.082 176.870 0.199 0.000 1.125 519 L CA -0.138 54.802 54.840 0.167 0.000 0.890 519 L CB 0.575 42.730 42.059 0.161 0.000 1.251 519 L HN 0.353 nan 8.230 nan 0.000 0.445 520 E N 2.910 123.240 120.200 0.217 0.000 2.216 520 E HA -0.044 4.306 4.350 -0.001 0.000 0.192 520 E C -0.477 176.374 176.600 0.420 0.000 0.988 520 E CA 0.810 57.379 56.400 0.282 0.000 0.834 520 E CB 0.436 30.286 29.700 0.250 0.000 0.772 520 E HN 0.314 nan 8.360 nan 0.000 0.479 521 F N -0.220 119.814 119.950 0.139 0.000 2.635 521 F HA 0.309 4.835 4.527 -0.001 0.000 0.314 521 F C -1.754 174.080 175.800 0.057 0.000 1.119 521 F CA -1.129 56.902 58.000 0.051 0.000 1.000 521 F CB 1.475 40.538 39.000 0.105 0.000 1.278 521 F HN -0.432 nan 8.300 nan 0.000 0.446 522 V N 5.988 125.522 119.914 -0.632 0.000 2.525 522 V HA 0.622 4.741 4.120 -0.001 0.000 0.299 522 V C -1.053 174.555 176.094 -0.811 0.000 1.034 522 V CA -0.808 61.215 62.300 -0.460 0.000 0.863 522 V CB 1.684 33.456 31.823 -0.084 0.000 0.999 522 V HN 0.610 nan 8.190 nan 0.000 0.423 523 V N 3.150 122.647 119.914 -0.694 0.000 2.555 523 V HA 0.662 4.781 4.120 -0.001 0.000 0.302 523 V C 0.067 175.928 176.094 -0.388 0.000 1.038 523 V CA -0.433 61.470 62.300 -0.662 0.000 0.887 523 V CB 1.983 33.275 31.823 -0.884 0.000 0.991 523 V HN 0.819 nan 8.190 nan 0.000 0.434 524 S N 3.412 118.935 115.700 -0.295 0.000 2.552 524 S HA 0.439 4.908 4.470 -0.001 0.000 0.314 524 S C -0.679 173.850 174.600 -0.119 0.000 1.099 524 S CA -0.553 57.535 58.200 -0.187 0.000 1.070 524 S CB 1.184 64.248 63.200 -0.227 0.000 0.998 524 S HN 0.837 nan 8.310 nan 0.000 0.474 525 Q N 3.832 123.633 119.800 0.001 0.000 2.462 525 Q HA 0.590 4.929 4.340 -0.001 0.000 0.247 525 Q C -1.077 174.803 176.000 -0.201 0.000 1.044 525 Q CA -0.249 55.558 55.803 0.007 0.000 0.803 525 Q CB 0.588 29.498 28.738 0.287 0.000 1.190 525 Q HN 0.684 nan 8.270 nan 0.000 0.507 526 S N 2.696 118.264 115.700 -0.221 0.000 2.720 526 S HA 0.512 4.981 4.470 -0.001 0.000 0.287 526 S C 0.519 174.935 174.600 -0.306 0.000 1.168 526 S CA -0.703 57.327 58.200 -0.283 0.000 0.832 526 S CB 1.055 64.126 63.200 -0.215 0.000 1.166 526 S HN 0.669 nan 8.310 nan 0.000 0.493 527 I N -0.533 119.802 120.570 -0.392 0.000 2.729 527 I HA 0.193 4.362 4.170 -0.001 0.000 0.256 527 I C -0.118 175.580 176.117 -0.698 0.000 1.115 527 I CA 0.581 61.467 61.300 -0.691 0.000 1.446 527 I CB 0.263 37.507 38.000 -1.261 0.000 1.176 527 I HN 0.322 nan 8.210 nan 0.000 0.446 528 W N 0.239 121.476 121.300 -0.105 0.000 2.627 528 W HA 0.285 4.944 4.660 -0.001 0.000 0.339 528 W C -0.764 175.705 176.519 -0.083 0.000 1.058 528 W CA -1.045 56.259 57.345 -0.068 0.000 1.223 528 W CB 1.222 30.633 29.460 -0.081 0.000 1.389 528 W HN -0.185 nan 8.180 nan 0.000 0.541 529 F N 4.305 124.245 119.950 -0.016 0.000 2.509 529 F HA 0.154 4.680 4.527 -0.001 0.000 0.350 529 F C 0.272 175.957 175.800 -0.193 0.000 1.220 529 F CA 0.225 58.059 58.000 -0.277 0.000 1.151 529 F CB -0.247 38.388 39.000 -0.609 0.000 1.379 529 F HN 0.352 nan 8.300 nan 0.000 0.610 530 E N 2.268 122.238 120.200 -0.384 0.000 2.442 530 E HA 0.644 4.993 4.350 -0.001 0.000 0.278 530 E C 0.414 176.842 176.600 -0.287 0.000 1.082 530 E CA -0.838 55.386 56.400 -0.293 0.000 0.861 530 E CB 0.413 30.048 29.700 -0.109 0.000 1.462 530 E HN 0.583 nan 8.360 nan 0.000 0.458 531 G N 1.184 109.882 108.800 -0.170 0.000 2.629 531 G HA2 -0.434 3.525 3.960 -0.001 0.000 0.313 531 G HA3 -0.434 3.525 3.960 -0.001 0.000 0.313 531 G C 0.592 175.444 174.900 -0.079 0.000 1.217 531 G CA 0.859 45.895 45.100 -0.107 0.000 0.994 531 G HN 0.698 nan 8.290 nan 0.000 0.549 532 E N 0.379 120.514 120.200 -0.107 0.000 2.481 532 E HA 0.236 4.585 4.350 -0.001 0.000 0.195 532 E C 2.570 179.074 176.600 -0.161 0.000 1.047 532 E CA 0.468 56.847 56.400 -0.034 0.000 0.867 532 E CB 0.155 29.793 29.700 -0.104 0.000 0.858 532 E HN 0.318 nan 8.360 nan 0.000 0.513 533 V N 1.636 121.357 119.914 -0.322 0.000 2.324 533 V HA -0.202 3.917 4.120 -0.001 0.000 0.250 533 V C -0.997 174.769 176.094 -0.545 0.000 1.060 533 V CA 1.698 63.730 62.300 -0.448 0.000 1.042 533 V CB -1.240 30.259 31.823 -0.540 0.000 0.650 533 V HN 0.209 nan 8.190 nan 0.000 0.450 534 P HA 0.003 nan 4.420 nan 0.000 0.252 534 P C 0.677 177.758 177.300 -0.365 0.000 1.265 534 P CA 1.001 63.760 63.100 -0.569 0.000 0.775 534 P CB -0.300 30.965 31.700 -0.726 0.000 1.128 535 F N -1.269 118.490 119.950 -0.319 0.000 2.704 535 F HA 0.330 4.856 4.527 -0.001 0.000 0.304 535 F C 1.497 177.138 175.800 -0.265 0.000 1.094 535 F CA -0.401 57.373 58.000 -0.376 0.000 1.275 535 F CB -0.110 38.289 39.000 -1.003 0.000 1.073 535 F HN -0.200 nan 8.300 nan 0.000 0.586 536 A N 0.242 123.034 122.820 -0.047 0.000 2.332 536 A HA 0.191 4.510 4.320 -0.001 0.000 0.258 536 A C 0.835 178.422 177.584 0.005 0.000 1.087 536 A CA -0.191 51.796 52.037 -0.084 0.000 0.802 536 A CB 0.243 19.134 19.000 -0.183 0.000 1.042 536 A HN 0.182 nan 8.150 nan 0.000 0.489 537 D N -0.471 119.788 120.400 -0.234 0.000 2.262 537 D HA 0.124 4.763 4.640 -0.001 0.000 0.212 537 D C 0.154 176.394 176.300 -0.100 0.000 0.964 537 D CA 1.143 54.945 54.000 -0.329 0.000 0.875 537 D CB 0.204 40.421 40.800 -0.971 0.000 0.996 537 D HN 0.308 nan 8.370 nan 0.000 0.497 538 I N 1.358 121.817 120.570 -0.185 0.000 2.533 538 I HA 0.351 4.520 4.170 -0.001 0.000 0.290 538 I C -0.453 175.573 176.117 -0.153 0.000 1.056 538 I CA -0.590 60.671 61.300 -0.065 0.000 1.057 538 I CB 2.319 40.325 38.000 0.010 0.000 1.240 538 I HN -0.229 nan 8.210 nan 0.000 0.423 539 I N 6.408 126.898 120.570 -0.133 0.000 2.436 539 I HA 0.436 4.606 4.170 -0.001 0.000 0.289 539 I C -0.692 175.295 176.117 -0.217 0.000 1.010 539 I CA -0.616 60.566 61.300 -0.198 0.000 1.098 539 I CB 2.120 39.966 38.000 -0.257 0.000 1.266 539 I HN 0.223 nan 8.210 nan 0.000 0.434 540 L N 7.705 128.817 121.223 -0.185 0.000 2.313 540 L HA 0.509 4.848 4.340 -0.001 0.000 0.283 540 L C -2.549 174.261 176.870 -0.101 0.000 1.013 540 L CA -1.893 52.827 54.840 -0.200 0.000 0.816 540 L CB 1.626 43.710 42.059 0.042 0.000 1.236 540 L HN 0.262 nan 8.230 nan 0.000 0.419 541 P HA 0.278 nan 4.420 nan 0.000 0.287 541 P C -0.775 176.587 177.300 0.105 0.000 1.307 541 P CA -0.177 62.912 63.100 -0.020 0.000 0.777 541 P CB 1.371 33.053 31.700 -0.030 0.000 0.883 542 A N 3.205 125.984 122.820 -0.068 0.000 2.281 542 A HA 0.693 5.013 4.320 -0.001 0.000 0.329 542 A C 0.341 177.826 177.584 -0.166 0.000 1.122 542 A CA -0.417 51.563 52.037 -0.095 0.000 0.850 542 A CB 0.473 19.351 19.000 -0.203 0.000 1.207 542 A HN 0.717 nan 8.150 nan 0.000 0.495 543 C N -0.340 118.890 119.300 -0.117 0.000 2.505 543 C HA 0.907 5.366 4.460 -0.001 0.000 0.358 543 C C 0.918 175.846 174.990 -0.105 0.000 1.226 543 C CA 0.052 58.997 59.018 -0.122 0.000 1.900 543 C CB 0.551 28.270 27.740 -0.034 0.000 2.306 543 C HN 1.177 nan 8.230 nan 0.000 0.512 544 T N -0.189 114.339 114.554 -0.044 0.000 2.754 544 T HA 0.197 4.546 4.350 -0.001 0.000 0.286 544 T C 1.098 175.905 174.700 0.178 0.000 0.997 544 T CA 0.152 62.332 62.100 0.133 0.000 0.982 544 T CB 0.336 69.423 68.868 0.364 0.000 1.027 544 T HN 0.910 nan 8.240 nan 0.000 0.529 545 N N -0.192 118.648 118.700 0.234 0.000 2.571 545 N HA -0.052 4.687 4.740 -0.001 0.000 0.189 545 N C 0.768 176.239 175.510 -0.065 0.000 1.154 545 N CA 0.484 53.581 53.050 0.078 0.000 0.907 545 N CB -0.486 38.025 38.487 0.039 0.000 0.977 545 N HN 0.602 nan 8.380 nan 0.000 0.449 546 F N 0.889 120.866 119.950 0.044 0.000 2.797 546 F HA 0.225 4.752 4.527 -0.001 0.000 0.302 546 F C 1.199 176.960 175.800 -0.065 0.000 1.130 546 F CA 0.175 58.172 58.000 -0.006 0.000 1.387 546 F CB 0.319 39.346 39.000 0.044 0.000 1.107 546 F HN 0.047 nan 8.300 nan 0.000 0.577 547 E N 0.281 120.530 120.200 0.083 0.000 2.558 547 E HA 0.177 4.526 4.350 -0.001 0.000 0.205 547 E C 0.164 176.737 176.600 -0.045 0.000 1.006 547 E CA -0.202 56.204 56.400 0.010 0.000 0.961 547 E CB 0.460 30.181 29.700 0.036 0.000 1.044 547 E HN 0.330 nan 8.360 nan 0.000 0.465 548 R N -1.004 119.439 120.500 -0.095 0.000 2.752 548 R HA 0.432 4.771 4.340 -0.001 0.000 0.271 548 R C -1.630 174.590 176.300 -0.133 0.000 1.026 548 R CA -1.030 55.029 56.100 -0.068 0.000 0.901 548 R CB 0.561 30.909 30.300 0.081 0.000 1.243 548 R HN -0.120 nan 8.270 nan 0.000 0.463 549 W N 0.791 122.160 121.300 0.116 0.000 2.365 549 W HA 0.512 5.171 4.660 -0.001 0.000 0.316 549 W C 0.117 176.713 176.519 0.128 0.000 1.164 549 W CA 0.562 57.992 57.345 0.142 0.000 1.204 549 W CB 1.093 30.672 29.460 0.198 0.000 1.213 549 W HN 0.491 nan 8.180 nan 0.000 0.539 550 D N 0.997 121.632 120.400 0.392 0.000 2.779 550 D HA 0.489 5.128 4.640 -0.001 0.000 0.331 550 D C -1.779 174.705 176.300 0.307 0.000 1.331 550 D CA -0.676 53.479 54.000 0.258 0.000 0.866 550 D CB 1.887 42.769 40.800 0.136 0.000 1.409 550 D HN 0.371 nan 8.370 nan 0.000 0.486 551 I N 0.341 121.041 120.570 0.215 0.000 2.841 551 I HA 0.579 4.748 4.170 -0.001 0.000 0.298 551 I C -1.473 174.783 176.117 0.232 0.000 1.304 551 I CA -0.043 61.463 61.300 0.344 0.000 1.019 551 I CB 1.674 39.996 38.000 0.536 0.000 1.282 551 I HN 0.596 nan 8.210 nan 0.000 0.432 552 S N 4.097 120.001 115.700 0.340 0.000 2.655 552 S HA 0.483 4.952 4.470 -0.001 0.000 0.266 552 S C -1.484 173.321 174.600 0.343 0.000 1.149 552 S CA -0.883 57.499 58.200 0.304 0.000 0.818 552 S CB 1.747 64.974 63.200 0.044 0.000 1.130 552 S HN 0.814 nan 8.310 nan 0.000 0.476 553 E N 0.191 120.638 120.200 0.411 0.000 2.238 553 E HA 0.488 4.837 4.350 -0.001 0.000 0.267 553 E C -1.261 175.717 176.600 0.631 0.000 0.887 553 E CA -0.946 55.664 56.400 0.351 0.000 0.769 553 E CB 1.023 30.864 29.700 0.235 0.000 1.187 553 E HN 0.533 nan 8.360 nan 0.000 0.416 554 F N 3.809 123.949 119.950 0.317 0.000 2.514 554 F HA 0.042 4.568 4.527 -0.001 0.000 0.399 554 F C 0.958 176.953 175.800 0.325 0.000 1.011 554 F CA 1.106 59.259 58.000 0.255 0.000 1.109 554 F CB -0.761 38.340 39.000 0.168 0.000 0.980 554 F HN 0.763 nan 8.300 nan 0.000 0.538 555 A N 3.811 127.018 122.820 0.646 0.000 2.910 555 A HA -0.334 3.985 4.320 -0.001 0.000 0.267 555 A C 0.799 178.762 177.584 0.631 0.000 1.310 555 A CA 1.120 53.455 52.037 0.497 0.000 0.934 555 A CB -2.593 16.496 19.000 0.149 0.000 1.057 555 A HN 0.783 nan 8.150 nan 0.000 0.742 556 N N -0.300 118.810 118.700 0.684 0.000 2.415 556 N HA 0.308 5.047 4.740 -0.001 0.000 0.250 556 N C 0.853 176.454 175.510 0.152 0.000 1.127 556 N CA 0.330 53.641 53.050 0.434 0.000 0.945 556 N CB 0.406 39.148 38.487 0.425 0.000 1.196 556 N HN 0.646 nan 8.380 nan 0.000 0.499 557 C N 2.723 122.022 119.300 -0.003 0.000 2.520 557 C HA 0.290 4.749 4.460 -0.001 0.000 0.291 557 C C 1.388 176.018 174.990 -0.601 0.000 1.364 557 C CA 1.159 59.804 59.018 -0.622 0.000 1.781 557 C CB -0.979 26.703 27.740 -0.098 0.000 2.171 557 C HN 0.885 nan 8.230 nan 0.000 0.516 558 S N -1.118 114.386 115.700 -0.326 0.000 3.368 558 S HA 0.111 4.580 4.470 -0.001 0.000 0.632 558 S C 1.093 175.330 174.600 -0.604 0.000 2.690 558 S CA 2.160 60.130 58.200 -0.384 0.000 3.124 558 S CB -1.688 61.403 63.200 -0.180 0.000 0.317 558 S HN 2.639 nan 8.310 nan 0.000 1.617 559 G N 0.805 109.202 108.800 -0.673 0.000 2.620 559 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.315 559 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.315 559 G C 0.605 175.141 174.900 -0.607 0.000 1.179 559 G CA 1.484 46.221 45.100 -0.606 0.000 0.971 559 G HN 2.100 nan 8.290 nan 0.000 0.544 560 Y N 0.841 121.111 120.300 -0.051 0.000 2.578 560 Y HA 0.642 5.191 4.550 -0.001 0.000 0.297 560 Y C 1.462 177.321 175.900 -0.068 0.000 1.176 560 Y CA 0.189 58.265 58.100 -0.040 0.000 1.315 560 Y CB -0.205 38.252 38.460 -0.005 0.000 1.031 560 Y HN 0.371 nan 8.280 nan 0.000 0.524 561 I N 1.877 122.392 120.570 -0.093 0.000 2.871 561 I HA 0.306 4.476 4.170 -0.001 0.000 0.284 561 I C -2.886 172.989 176.117 -0.403 0.000 1.390 561 I CA -2.014 59.197 61.300 -0.148 0.000 0.958 561 I CB 1.096 39.096 38.000 -0.001 0.000 1.618 561 I HN -0.212 nan 8.210 nan 0.000 0.595 562 P HA -0.005 nan 4.420 nan 0.000 0.262 562 P C -0.117 176.881 177.300 -0.504 0.000 1.182 562 P CA 0.578 63.176 63.100 -0.837 0.000 0.761 562 P CB 0.272 31.280 31.700 -1.153 0.000 0.795 563 D N 1.367 121.552 120.400 -0.358 0.000 2.751 563 D HA -0.213 4.426 4.640 -0.001 0.000 0.233 563 D C 0.561 176.338 176.300 -0.872 0.000 1.149 563 D CA 1.108 54.749 54.000 -0.599 0.000 0.682 563 D CB -1.771 38.785 40.800 -0.406 0.000 1.068 563 D HN 0.670 nan 8.370 nan 0.000 0.429 564 N N -0.483 117.918 118.700 -0.499 0.000 2.571 564 N HA -0.159 4.580 4.740 -0.001 0.000 0.189 564 N C 1.741 177.113 175.510 -0.231 0.000 1.154 564 N CA 0.347 53.181 53.050 -0.359 0.000 0.907 564 N CB -0.458 37.911 38.487 -0.196 0.000 0.977 564 N HN 0.554 nan 8.380 nan 0.000 0.449 565 Y N -0.041 120.283 120.300 0.040 0.000 2.574 565 Y HA -0.063 4.487 4.550 -0.001 0.000 0.294 565 Y C 2.020 177.941 175.900 0.036 0.000 1.142 565 Y CA 0.203 58.346 58.100 0.071 0.000 1.314 565 Y CB -0.697 37.858 38.460 0.158 0.000 0.991 565 Y HN 0.297 nan 8.280 nan 0.000 0.555 566 Q N 0.981 120.672 119.800 -0.182 0.000 2.541 566 Q HA -0.044 4.295 4.340 -0.001 0.000 0.215 566 Q C 1.330 177.309 176.000 -0.034 0.000 0.977 566 Q CA 0.935 56.735 55.803 -0.005 0.000 0.934 566 Q CB -0.447 28.245 28.738 -0.077 0.000 0.988 566 Q HN 0.638 nan 8.270 nan 0.000 0.521 567 L N 0.171 121.345 121.223 -0.081 0.000 2.313 567 L HA 0.049 4.388 4.340 -0.001 0.000 0.214 567 L C 0.645 177.443 176.870 -0.120 0.000 1.119 567 L CA -0.182 54.593 54.840 -0.109 0.000 0.809 567 L CB 0.194 42.170 42.059 -0.138 0.000 0.933 567 L HN 0.354 nan 8.230 nan 0.000 0.449 568 C N -0.449 118.777 119.300 -0.123 0.000 2.335 568 C HA 0.210 4.669 4.460 -0.001 0.000 0.363 568 C C 1.687 176.726 174.990 0.082 0.000 1.198 568 C CA -0.960 57.965 59.018 -0.156 0.000 2.279 568 C CB 0.976 28.471 27.740 -0.408 0.000 2.334 568 C HN 0.332 nan 8.230 nan 0.000 0.559 569 N N 0.094 118.888 118.700 0.156 0.000 2.457 569 N HA 0.018 4.757 4.740 -0.001 0.000 0.180 569 N C -0.298 175.221 175.510 0.015 0.000 1.050 569 N CA 0.924 54.105 53.050 0.219 0.000 0.906 569 N CB -0.082 38.489 38.487 0.141 0.000 0.968 569 N HN 0.750 nan 8.380 nan 0.000 0.445 570 H N -1.264 118.026 119.070 0.367 0.000 3.046 570 H HA 0.355 4.910 4.556 -0.001 0.000 0.363 570 H C -0.544 174.937 175.328 0.256 0.000 1.203 570 H CA -0.701 55.545 56.048 0.331 0.000 1.169 570 H CB 1.412 31.401 29.762 0.378 0.000 1.851 570 H HN -0.203 nan 8.280 nan 0.000 0.546 571 R N 1.780 122.436 120.500 0.260 0.000 2.248 571 R HA 0.391 4.730 4.340 -0.001 0.000 0.328 571 R C -0.928 175.434 176.300 0.104 0.000 1.067 571 R CA -0.480 55.706 56.100 0.142 0.000 0.924 571 R CB 0.677 30.955 30.300 -0.036 0.000 1.013 571 R HN 0.212 nan 8.270 nan 0.000 0.454 572 V N 6.256 126.303 119.914 0.221 0.000 2.350 572 V HA 0.359 4.478 4.120 -0.001 0.000 0.285 572 V C 0.155 176.346 176.094 0.162 0.000 1.014 572 V CA -0.639 61.767 62.300 0.178 0.000 0.831 572 V CB 1.565 33.543 31.823 0.259 0.000 1.000 572 V HN 0.640 nan 8.190 nan 0.000 0.433 573 I N 4.878 125.516 120.570 0.113 0.000 2.336 573 I HA 0.590 4.759 4.170 -0.001 0.000 0.292 573 I C 0.305 176.649 176.117 0.379 0.000 0.991 573 I CA 0.149 61.480 61.300 0.052 0.000 1.227 573 I CB 1.776 39.639 38.000 -0.229 0.000 1.366 573 I HN 0.753 nan 8.210 nan 0.000 0.466 574 S N 6.233 122.169 115.700 0.393 0.000 2.569 574 S HA 0.630 5.099 4.470 -0.001 0.000 0.280 574 S C -0.907 173.943 174.600 0.417 0.000 1.111 574 S CA -0.931 57.514 58.200 0.408 0.000 0.887 574 S CB 2.135 65.461 63.200 0.209 0.000 1.095 574 S HN 0.453 nan 8.310 nan 0.000 0.476 575 L N 1.681 122.995 121.223 0.151 0.000 2.319 575 L HA 0.404 4.743 4.340 -0.001 0.000 0.280 575 L C -0.195 176.740 176.870 0.109 0.000 1.099 575 L CA 0.215 55.143 54.840 0.148 0.000 0.828 575 L CB 0.685 42.615 42.059 -0.214 0.000 1.150 575 L HN 0.775 nan 8.230 nan 0.000 0.442 576 Q N 5.435 125.339 119.800 0.173 0.000 2.503 576 Q HA 0.471 4.810 4.340 -0.001 0.000 0.227 576 Q C -0.190 175.813 176.000 0.005 0.000 1.109 576 Q CA -0.506 55.314 55.803 0.028 0.000 0.922 576 Q CB 0.911 29.663 28.738 0.023 0.000 1.249 576 Q HN 0.849 nan 8.270 nan 0.000 0.530 577 A N 2.761 125.515 122.820 -0.109 0.000 2.425 577 A HA 0.087 4.406 4.320 -0.001 0.000 0.249 577 A C 0.155 177.336 177.584 -0.671 0.000 1.084 577 A CA -0.268 51.558 52.037 -0.352 0.000 0.781 577 A CB 0.312 19.170 19.000 -0.236 0.000 1.019 577 A HN 0.641 nan 8.150 nan 0.000 0.490 578 K N 2.645 122.169 120.400 -1.461 0.000 2.237 578 K HA 0.144 4.463 4.320 -0.001 0.000 0.283 578 K C 0.386 176.672 176.600 -0.522 0.000 1.080 578 K CA -0.329 55.364 56.287 -0.990 0.000 0.965 578 K CB -0.385 31.306 32.500 -1.348 0.000 1.098 578 K HN 0.719 nan 8.250 nan 0.000 0.434 579 C N 4.691 123.848 119.300 -0.238 0.000 2.450 579 C HA 0.076 4.536 4.460 -0.001 0.000 0.279 579 C C 1.158 176.148 174.990 0.000 0.000 1.335 579 C CA -0.161 58.819 59.018 -0.064 0.000 1.749 579 C CB -1.087 26.707 27.740 0.091 0.000 1.963 579 C HN 0.845 nan 8.230 nan 0.000 0.501 580 I N -3.435 117.140 120.570 0.008 0.000 3.195 580 I HA 0.535 4.704 4.170 -0.001 0.000 0.313 580 I C -1.099 175.041 176.117 0.039 0.000 1.237 580 I CA -0.754 60.579 61.300 0.056 0.000 0.963 580 I CB 1.026 39.099 38.000 0.123 0.000 1.278 580 I HN -0.265 nan 8.210 nan 0.000 0.460 581 E N 2.189 122.428 120.200 0.065 0.000 2.390 581 E HA 0.322 4.671 4.350 -0.001 0.000 0.261 581 E C -2.377 174.262 176.600 0.066 0.000 1.076 581 E CA -1.541 54.897 56.400 0.063 0.000 0.905 581 E CB 0.141 29.885 29.700 0.074 0.000 0.984 581 E HN 0.405 nan 8.360 nan 0.000 0.427 582 P HA -0.064 nan 4.420 nan 0.000 0.264 582 P C -0.446 176.892 177.300 0.065 0.000 1.183 582 P CA 0.169 63.298 63.100 0.048 0.000 0.763 582 P CB 0.413 32.139 31.700 0.044 0.000 0.807 583 V N 4.022 123.968 119.914 0.054 0.000 2.572 583 V HA 0.325 4.444 4.120 -0.001 0.000 0.291 583 V C 1.414 177.544 176.094 0.060 0.000 1.039 583 V CA 1.341 63.686 62.300 0.074 0.000 1.055 583 V CB -0.182 31.680 31.823 0.065 0.000 0.969 583 V HN 1.061 nan 8.190 nan 0.000 0.482 584 G N 5.035 113.880 108.800 0.075 0.000 2.574 584 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.286 584 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.286 584 G C 0.342 175.319 174.900 0.128 0.000 1.212 584 G CA 0.556 45.706 45.100 0.083 0.000 0.979 584 G HN 0.733 nan 8.290 nan 0.000 0.557 585 E N 1.077 121.382 120.200 0.175 0.000 2.423 585 E HA 0.364 4.713 4.350 -0.001 0.000 0.198 585 E C 0.982 177.829 176.600 0.411 0.000 1.038 585 E CA 0.413 56.993 56.400 0.299 0.000 1.011 585 E CB 0.147 30.066 29.700 0.366 0.000 1.118 585 E HN 0.650 nan 8.360 nan 0.000 0.451 586 S N 0.801 116.639 115.700 0.231 0.000 2.632 586 S HA 0.560 5.029 4.470 -0.001 0.000 0.267 586 S C 0.136 174.816 174.600 0.134 0.000 1.276 586 S CA -0.704 57.630 58.200 0.223 0.000 0.998 586 S CB 1.000 64.232 63.200 0.054 0.000 0.953 586 S HN 0.216 nan 8.310 nan 0.000 0.547 587 M N 0.101 119.744 119.600 0.071 0.000 2.622 587 M HA 0.531 5.010 4.480 -0.001 0.000 0.276 587 M C -0.469 175.811 176.300 -0.034 0.000 1.265 587 M CA -0.967 54.294 55.300 -0.065 0.000 0.850 587 M CB 1.765 34.180 32.600 -0.309 0.000 1.720 587 M HN 0.719 nan 8.290 nan 0.000 0.465 588 S N -0.353 115.350 115.700 0.005 0.000 2.573 588 S HA 0.086 4.555 4.470 -0.001 0.000 0.277 588 S C 0.327 174.949 174.600 0.036 0.000 1.346 588 S CA -0.082 58.155 58.200 0.062 0.000 1.034 588 S CB 0.548 63.840 63.200 0.154 0.000 0.879 588 S HN 0.753 nan 8.310 nan 0.000 0.528 589 D N 0.673 121.109 120.400 0.060 0.000 2.158 589 D HA -0.174 4.465 4.640 -0.001 0.000 0.197 589 D C 1.429 177.710 176.300 -0.032 0.000 0.995 589 D CA 1.729 55.703 54.000 -0.045 0.000 0.846 589 D CB -0.290 40.621 40.800 0.185 0.000 0.941 589 D HN 0.829 nan 8.370 nan 0.000 0.456 590 Y N 1.911 122.301 120.300 0.150 0.000 2.181 590 Y HA -0.193 4.356 4.550 -0.001 0.000 0.288 590 Y C 2.189 178.243 175.900 0.257 0.000 1.146 590 Y CA 1.448 59.735 58.100 0.313 0.000 1.164 590 Y CB 0.172 38.806 38.460 0.289 0.000 0.982 590 Y HN -0.177 nan 8.280 nan 0.000 0.515 591 E N 0.279 120.589 120.200 0.184 0.000 2.152 591 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 591 E C 2.306 178.822 176.600 -0.140 0.000 0.983 591 E CA 1.152 57.577 56.400 0.041 0.000 0.818 591 E CB -0.236 29.485 29.700 0.036 0.000 0.758 591 E HN 0.619 nan 8.360 nan 0.000 0.467 592 I N -0.036 120.406 120.570 -0.212 0.000 2.252 592 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 592 I C 2.099 178.134 176.117 -0.137 0.000 1.102 592 I CA 1.168 62.316 61.300 -0.252 0.000 1.385 592 I CB -0.308 37.570 38.000 -0.203 0.000 1.064 592 I HN 0.115 nan 8.210 nan 0.000 0.414 593 Y N 0.119 120.291 120.300 -0.213 0.000 2.314 593 Y HA -0.164 4.386 4.550 -0.001 0.000 0.293 593 Y C 2.799 178.401 175.900 -0.497 0.000 1.129 593 Y CA 0.477 58.168 58.100 -0.681 0.000 1.201 593 Y CB -0.151 37.759 38.460 -0.917 0.000 0.999 593 Y HN 0.037 nan 8.280 nan 0.000 0.541 594 R N 0.276 120.733 120.500 -0.072 0.000 2.092 594 R HA -0.173 4.166 4.340 -0.001 0.000 0.231 594 R C 2.108 178.446 176.300 0.062 0.000 1.119 594 R CA 1.033 57.187 56.100 0.091 0.000 0.970 594 R CB -0.307 30.038 30.300 0.075 0.000 0.864 594 R HN 0.296 nan 8.270 nan 0.000 0.440 595 L N -0.017 121.186 121.223 -0.033 0.000 2.027 595 L HA -0.049 4.291 4.340 -0.001 0.000 0.206 595 L C 1.659 178.510 176.870 -0.031 0.000 1.074 595 L CA 1.705 56.496 54.840 -0.082 0.000 0.745 595 L CB -0.603 41.315 42.059 -0.236 0.000 0.898 595 L HN 0.099 nan 8.230 nan 0.000 0.433 596 F N -0.178 119.791 119.950 0.031 0.000 2.134 596 F HA -0.186 4.340 4.527 -0.001 0.000 0.299 596 F C 2.498 178.426 175.800 0.215 0.000 1.097 596 F CA 1.280 59.368 58.000 0.147 0.000 1.264 596 F CB -0.648 38.453 39.000 0.168 0.000 1.001 596 F HN 0.209 nan 8.300 nan 0.000 0.479 597 A N -0.217 122.828 122.820 0.375 0.000 1.940 597 A HA -0.262 4.057 4.320 -0.001 0.000 0.219 597 A C 2.161 179.879 177.584 0.224 0.000 1.176 597 A CA 1.966 54.184 52.037 0.301 0.000 0.631 597 A CB -0.708 18.430 19.000 0.230 0.000 0.814 597 A HN 0.380 nan 8.150 nan 0.000 0.446 598 K N -0.084 120.425 120.400 0.182 0.000 2.025 598 K HA -0.105 4.215 4.320 -0.001 0.000 0.207 598 K C 1.802 178.479 176.600 0.128 0.000 1.049 598 K CA 1.561 57.930 56.287 0.136 0.000 0.933 598 K CB -0.158 32.401 32.500 0.097 0.000 0.714 598 K HN 0.408 nan 8.250 nan 0.000 0.438 599 K N 0.290 120.774 120.400 0.140 0.000 2.439 599 K HA -0.016 4.303 4.320 -0.001 0.000 0.197 599 K C 1.482 178.180 176.600 0.164 0.000 1.041 599 K CA 0.568 56.938 56.287 0.138 0.000 0.970 599 K CB 0.181 32.760 32.500 0.132 0.000 0.773 599 K HN 0.218 nan 8.250 nan 0.000 0.479 600 L N 0.205 121.544 121.223 0.194 0.000 2.640 600 L HA 0.092 4.431 4.340 -0.001 0.000 0.230 600 L C 0.097 177.033 176.870 0.110 0.000 1.123 600 L CA -0.242 54.695 54.840 0.161 0.000 0.900 600 L CB -0.180 41.993 42.059 0.190 0.000 1.146 600 L HN 0.225 nan 8.230 nan 0.000 0.484 601 N N 1.259 120.027 118.700 0.113 0.000 2.754 601 N HA -0.227 4.512 4.740 -0.001 0.000 0.248 601 N C 0.207 175.771 175.510 0.089 0.000 1.093 601 N CA 0.962 54.067 53.050 0.092 0.000 0.699 601 N CB -1.081 37.449 38.487 0.071 0.000 1.016 601 N HN 0.597 nan 8.380 nan 0.000 0.552 602 I N -3.978 116.660 120.570 0.113 0.000 3.597 602 I HA 0.290 4.459 4.170 -0.001 0.000 0.323 602 I C 1.233 177.464 176.117 0.190 0.000 1.535 602 I CA -0.605 60.765 61.300 0.116 0.000 1.028 602 I CB 0.319 38.362 38.000 0.073 0.000 1.354 602 I HN 0.105 nan 8.210 nan 0.000 0.544 603 E N 2.180 122.497 120.200 0.195 0.000 2.058 603 E HA -0.307 4.042 4.350 -0.001 0.000 0.194 603 E C 1.914 178.669 176.600 0.258 0.000 0.997 603 E CA 2.169 58.721 56.400 0.253 0.000 0.801 603 E CB 0.213 30.029 29.700 0.194 0.000 0.746 603 E HN 0.594 nan 8.360 nan 0.000 0.450 604 E N 0.152 120.460 120.200 0.179 0.000 2.077 604 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 604 E C 1.867 178.571 176.600 0.174 0.000 0.989 604 E CA 1.702 58.194 56.400 0.152 0.000 0.800 604 E CB -0.137 29.623 29.700 0.100 0.000 0.746 604 E HN 0.270 nan 8.360 nan 0.000 0.452 605 M N -0.568 119.134 119.600 0.169 0.000 2.117 605 M HA 0.021 4.500 4.480 -0.001 0.000 0.262 605 M C 1.941 178.397 176.300 0.260 0.000 1.065 605 M CA 1.296 56.694 55.300 0.165 0.000 1.114 605 M CB -0.748 31.918 32.600 0.110 0.000 1.361 605 M HN 0.217 nan 8.290 nan 0.000 0.408 606 F N 0.556 120.609 119.950 0.171 0.000 2.098 606 F HA -0.131 4.395 4.527 -0.001 0.000 0.294 606 F C 2.588 178.618 175.800 0.383 0.000 1.107 606 F CA 1.749 59.883 58.000 0.223 0.000 1.234 606 F CB -0.651 38.468 39.000 0.198 0.000 1.002 606 F HN 0.245 nan 8.300 nan 0.000 0.472 607 S N -0.737 115.078 115.700 0.191 0.000 2.458 607 S HA -0.008 4.461 4.470 -0.001 0.000 0.223 607 S C 0.861 175.631 174.600 0.284 0.000 1.019 607 S CA 0.611 58.970 58.200 0.264 0.000 0.937 607 S CB -0.526 62.885 63.200 0.352 0.000 0.788 607 S HN 0.559 nan 8.310 nan 0.000 0.511 608 E N 0.499 120.821 120.200 0.203 0.000 2.722 608 E HA -0.195 4.154 4.350 -0.001 0.000 0.265 608 E C 0.680 177.277 176.600 -0.006 0.000 1.081 608 E CA 0.280 56.737 56.400 0.095 0.000 0.781 608 E CB -2.263 27.472 29.700 0.058 0.000 1.372 608 E HN 1.046 nan 8.360 nan 0.000 0.423 609 G N 0.437 109.272 108.800 0.057 0.000 2.198 609 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.260 609 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.260 609 G C -0.043 174.834 174.900 -0.038 0.000 1.025 609 G CA 1.149 46.266 45.100 0.028 0.000 0.769 609 G HN 0.284 nan 8.290 nan 0.000 0.507 610 K N 0.611 120.971 120.400 -0.067 0.000 2.270 610 K HA 0.542 4.861 4.320 -0.001 0.000 0.255 610 K C -0.302 176.322 176.600 0.041 0.000 0.936 610 K CA -0.681 55.477 56.287 -0.214 0.000 0.809 610 K CB 1.596 33.611 32.500 -0.807 0.000 1.131 610 K HN 0.296 nan 8.250 nan 0.000 0.427 611 D N 0.449 120.860 120.400 0.018 0.000 2.432 611 D HA 0.052 4.691 4.640 -0.001 0.000 0.258 611 D C 0.556 176.858 176.300 0.003 0.000 1.146 611 D CA -0.536 53.543 54.000 0.132 0.000 1.015 611 D CB 0.622 41.487 40.800 0.107 0.000 1.107 611 D HN 0.503 nan 8.370 nan 0.000 0.529 612 E N -1.122 119.053 120.200 -0.042 0.000 2.097 612 E HA -0.192 4.157 4.350 -0.001 0.000 0.196 612 E C 1.765 178.401 176.600 0.060 0.000 1.000 612 E CA 0.823 57.186 56.400 -0.062 0.000 0.804 612 E CB -0.158 29.587 29.700 0.074 0.000 0.740 612 E HN 0.317 nan 8.360 nan 0.000 0.454 613 L N 0.466 121.704 121.223 0.025 0.000 2.131 613 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 613 L C 2.106 178.890 176.870 -0.143 0.000 1.092 613 L CA 1.751 56.553 54.840 -0.063 0.000 0.759 613 L CB -0.520 41.355 42.059 -0.307 0.000 0.903 613 L HN 0.062 nan 8.230 nan 0.000 0.435 614 A N -1.820 120.895 122.820 -0.174 0.000 1.930 614 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 614 A C 2.087 179.496 177.584 -0.291 0.000 1.175 614 A CA 1.409 53.273 52.037 -0.288 0.000 0.627 614 A CB -1.115 17.692 19.000 -0.321 0.000 0.815 614 A HN 0.608 nan 8.150 nan 0.000 0.443 615 W N -0.776 120.407 121.300 -0.195 0.000 2.388 615 W HA -0.146 4.513 4.660 -0.001 0.000 0.294 615 W C 2.521 178.972 176.519 -0.114 0.000 1.212 615 W CA 0.858 58.113 57.345 -0.150 0.000 1.271 615 W CB -0.452 28.902 29.460 -0.176 0.000 1.126 615 W HN 0.337 nan 8.180 nan 0.000 0.535 616 C N -0.656 118.695 119.300 0.086 0.000 2.425 616 C HA -0.184 4.275 4.460 -0.001 0.000 0.277 616 C C 2.504 177.342 174.990 -0.254 0.000 1.280 616 C CA 1.366 60.408 59.018 0.040 0.000 1.744 616 C CB -1.146 26.701 27.740 0.178 0.000 1.989 616 C HN 0.403 nan 8.230 nan 0.000 0.491 617 E N 0.340 120.096 120.200 -0.740 0.000 2.072 617 E HA -0.251 4.099 4.350 -0.001 0.000 0.191 617 E C 2.280 178.648 176.600 -0.387 0.000 0.985 617 E CA 0.975 56.668 56.400 -1.179 0.000 0.801 617 E CB -0.261 28.612 29.700 -1.379 0.000 0.750 617 E HN 0.684 nan 8.360 nan 0.000 0.452 618 Q N -0.496 119.165 119.800 -0.230 0.000 2.084 618 Q HA -0.243 4.096 4.340 -0.001 0.000 0.202 618 Q C 1.971 177.989 176.000 0.030 0.000 0.978 618 Q CA 1.640 57.377 55.803 -0.110 0.000 0.844 618 Q CB -0.261 28.403 28.738 -0.124 0.000 0.898 618 Q HN 0.420 nan 8.270 nan 0.000 0.426 619 Y N 0.138 120.457 120.300 0.031 0.000 2.097 619 Y HA -0.303 4.246 4.550 -0.001 0.000 0.282 619 Y C 1.952 177.939 175.900 0.145 0.000 1.152 619 Y CA 2.125 60.316 58.100 0.151 0.000 1.136 619 Y CB -0.582 37.981 38.460 0.172 0.000 0.975 619 Y HN 0.282 nan 8.280 nan 0.000 0.498 620 F N 1.386 121.473 119.950 0.228 0.000 2.091 620 F HA -0.340 4.187 4.527 -0.001 0.000 0.299 620 F C 1.982 177.823 175.800 0.068 0.000 1.103 620 F CA 2.238 60.360 58.000 0.203 0.000 1.228 620 F CB -0.558 38.607 39.000 0.275 0.000 0.984 620 F HN 0.086 nan 8.300 nan 0.000 0.477 621 N N 0.498 119.335 118.700 0.229 0.000 2.520 621 N HA -0.052 4.687 4.740 -0.001 0.000 0.185 621 N C 1.501 176.965 175.510 -0.078 0.000 1.068 621 N CA 1.004 54.101 53.050 0.078 0.000 0.911 621 N CB -0.399 38.131 38.487 0.071 0.000 0.961 621 N HN 0.426 nan 8.380 nan 0.000 0.446 622 A N 0.157 122.899 122.820 -0.129 0.000 2.275 622 A HA 0.086 4.405 4.320 -0.001 0.000 0.212 622 A C 1.263 178.784 177.584 -0.104 0.000 1.201 622 A CA 0.200 52.123 52.037 -0.190 0.000 0.843 622 A CB -0.183 18.581 19.000 -0.393 0.000 0.873 622 A HN 0.340 nan 8.150 nan 0.000 0.492 623 T N -4.258 110.189 114.554 -0.178 0.000 2.876 623 T HA 0.406 4.755 4.350 -0.001 0.000 0.277 623 T C 0.094 174.684 174.700 -0.183 0.000 0.997 623 T CA -0.104 61.863 62.100 -0.222 0.000 0.966 623 T CB 0.807 69.412 68.868 -0.438 0.000 1.312 623 T HN -0.069 nan 8.240 nan 0.000 0.598 624 D N -0.291 119.956 120.400 -0.255 0.000 2.340 624 D HA 0.147 4.787 4.640 -0.001 0.000 0.220 624 D C 1.844 178.151 176.300 0.013 0.000 1.039 624 D CA 0.126 53.997 54.000 -0.214 0.000 0.866 624 D CB -0.099 40.367 40.800 -0.556 0.000 0.913 624 D HN 0.290 nan 8.370 nan 0.000 0.523 625 M N 0.354 119.904 119.600 -0.084 0.000 2.144 625 M HA -0.112 4.367 4.480 -0.001 0.000 0.260 625 M C -0.820 175.423 176.300 -0.094 0.000 1.067 625 M CA 1.391 56.617 55.300 -0.123 0.000 1.095 625 M CB -1.995 30.102 32.600 -0.838 0.000 1.365 625 M HN -0.034 nan 8.290 nan 0.000 0.406 626 P HA -0.159 nan 4.420 nan 0.000 0.222 626 P C 1.100 178.435 177.300 0.058 0.000 1.142 626 P CA 1.210 64.349 63.100 0.065 0.000 0.788 626 P CB -0.189 31.541 31.700 0.049 0.000 0.767 627 K N -2.205 118.220 120.400 0.043 0.000 2.288 627 K HA -0.093 4.226 4.320 -0.001 0.000 0.201 627 K C 1.302 177.764 176.600 -0.231 0.000 1.048 627 K CA 1.237 57.476 56.287 -0.080 0.000 0.956 627 K CB -0.206 32.241 32.500 -0.089 0.000 0.746 627 K HN 0.310 nan 8.250 nan 0.000 0.461 628 Y N -0.336 119.969 120.300 0.009 0.000 2.558 628 Y HA 0.237 4.786 4.550 -0.001 0.000 0.273 628 Y C 0.906 176.756 175.900 -0.083 0.000 1.100 628 Y CA -0.351 57.709 58.100 -0.067 0.000 1.276 628 Y CB 0.656 38.963 38.460 -0.255 0.000 1.196 628 Y HN -0.056 nan 8.280 nan 0.000 0.527 629 M N -1.248 118.418 119.600 0.109 0.000 2.643 629 M HA 0.443 4.922 4.480 -0.001 0.000 0.276 629 M C -0.827 175.656 176.300 0.304 0.000 1.200 629 M CA -0.911 54.478 55.300 0.148 0.000 0.863 629 M CB 1.781 34.434 32.600 0.089 0.000 1.711 629 M HN -0.051 nan 8.290 nan 0.000 0.492 630 T N -1.864 112.828 114.554 0.230 0.000 2.816 630 T HA 0.169 4.519 4.350 -0.001 0.000 0.282 630 T C 0.776 175.552 174.700 0.127 0.000 0.993 630 T CA -0.457 61.793 62.100 0.250 0.000 0.994 630 T CB 1.266 70.222 68.868 0.146 0.000 1.025 630 T HN 0.940 nan 8.240 nan 0.000 0.529 631 W N 1.313 122.470 121.300 -0.238 0.000 2.335 631 W HA -0.215 4.444 4.660 -0.001 0.000 0.311 631 W C 1.010 177.424 176.519 -0.174 0.000 1.213 631 W CA 1.881 58.877 57.345 -0.583 0.000 1.274 631 W CB -0.443 28.769 29.460 -0.413 0.000 1.148 631 W HN 0.719 nan 8.180 nan 0.000 0.498 632 D N 0.362 120.662 120.400 -0.166 0.000 2.104 632 D HA -0.223 4.416 4.640 -0.001 0.000 0.194 632 D C 1.977 178.194 176.300 -0.139 0.000 0.994 632 D CA 2.125 56.002 54.000 -0.205 0.000 0.830 632 D CB -0.727 40.037 40.800 -0.060 0.000 0.959 632 D HN 0.411 nan 8.370 nan 0.000 0.452 633 E N -0.470 119.699 120.200 -0.052 0.000 2.077 633 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 633 E C 1.972 178.556 176.600 -0.027 0.000 0.989 633 E CA 0.506 56.897 56.400 -0.016 0.000 0.800 633 E CB -0.232 29.494 29.700 0.043 0.000 0.746 633 E HN 0.242 nan 8.360 nan 0.000 0.452 634 F N 0.989 120.832 119.950 -0.179 0.000 2.102 634 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 634 F C 2.043 177.680 175.800 -0.271 0.000 1.105 634 F CA 1.146 59.045 58.000 -0.169 0.000 1.239 634 F CB -0.389 38.544 39.000 -0.111 0.000 0.991 634 F HN -0.053 nan 8.300 nan 0.000 0.474 635 F N 1.321 120.845 119.950 -0.710 0.000 2.161 635 F HA -0.207 4.319 4.527 -0.001 0.000 0.300 635 F C 2.498 178.007 175.800 -0.484 0.000 1.089 635 F CA 2.290 59.801 58.000 -0.816 0.000 1.282 635 F CB -0.558 37.803 39.000 -1.065 0.000 1.010 635 F HN -0.016 nan 8.300 nan 0.000 0.485 636 K N 0.306 120.544 120.400 -0.270 0.000 2.062 636 K HA -0.202 4.118 4.320 -0.001 0.000 0.205 636 K C 2.339 178.779 176.600 -0.267 0.000 1.051 636 K CA 1.403 57.562 56.287 -0.214 0.000 0.941 636 K CB -0.205 32.240 32.500 -0.091 0.000 0.719 636 K HN 0.223 nan 8.250 nan 0.000 0.440 637 K N -1.133 119.098 120.400 -0.282 0.000 2.103 637 K HA -0.093 4.226 4.320 -0.001 0.000 0.204 637 K C 1.179 177.590 176.600 -0.316 0.000 1.052 637 K CA 1.504 57.626 56.287 -0.276 0.000 0.945 637 K CB 0.087 32.433 32.500 -0.255 0.000 0.722 637 K HN 0.425 nan 8.250 nan 0.000 0.443 638 G N -0.358 108.141 108.800 -0.501 0.000 2.358 638 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.224 638 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.224 638 G C -0.018 174.719 174.900 -0.272 0.000 1.073 638 G CA 0.609 45.469 45.100 -0.401 0.000 0.635 638 G HN 0.503 nan 8.290 nan 0.000 0.509 639 Y N -1.766 118.414 120.300 -0.200 0.000 2.597 639 Y HA 0.799 5.348 4.550 -0.001 0.000 0.340 639 Y C -1.395 174.647 175.900 0.238 0.000 1.097 639 Y CA -2.454 55.668 58.100 0.037 0.000 1.037 639 Y CB 1.157 39.634 38.460 0.029 0.000 1.305 639 Y HN 0.679 nan 8.280 nan 0.000 0.463 640 F N 2.429 122.502 119.950 0.205 0.000 2.561 640 F HA 0.712 5.238 4.527 -0.001 0.000 0.313 640 F C -1.888 173.896 175.800 -0.026 0.000 1.126 640 F CA -1.267 56.749 58.000 0.026 0.000 0.918 640 F CB 1.929 41.015 39.000 0.144 0.000 1.199 640 F HN 0.511 nan 8.300 nan 0.000 0.444 641 V N 6.642 126.027 119.914 -0.882 0.000 2.364 641 V HA 0.288 4.407 4.120 -0.001 0.000 0.272 641 V C -0.183 175.153 176.094 -1.264 0.000 1.036 641 V CA -0.865 60.935 62.300 -0.833 0.000 0.880 641 V CB 1.042 32.365 31.823 -0.832 0.000 0.991 641 V HN 0.600 nan 8.190 nan 0.000 0.460 642 V N 8.443 127.824 119.914 -0.889 0.000 2.599 642 V HA 0.102 4.221 4.120 -0.001 0.000 0.300 642 V C -1.752 174.007 176.094 -0.558 0.000 1.034 642 V CA -0.900 60.883 62.300 -0.862 0.000 1.115 642 V CB 0.527 31.973 31.823 -0.628 0.000 0.934 642 V HN 0.764 nan 8.190 nan 0.000 0.485 643 P HA 0.105 nan 4.420 nan 0.000 0.270 643 P C -0.526 176.725 177.300 -0.081 0.000 1.223 643 P CA -0.278 62.689 63.100 -0.221 0.000 0.785 643 P CB 0.415 32.052 31.700 -0.105 0.000 0.923 644 D N 0.864 121.273 120.400 0.015 0.000 2.339 644 D HA 0.064 4.703 4.640 -0.001 0.000 0.245 644 D C -0.173 176.171 176.300 0.074 0.000 1.115 644 D CA 0.010 54.059 54.000 0.081 0.000 0.917 644 D CB 0.139 41.022 40.800 0.138 0.000 1.192 644 D HN 0.080 nan 8.370 nan 0.000 0.428 645 N N 2.983 121.724 118.700 0.069 0.000 3.012 645 N HA 0.289 5.029 4.740 -0.001 0.000 0.270 645 N C -2.204 173.339 175.510 0.055 0.000 1.469 645 N CA -1.937 51.156 53.050 0.072 0.000 0.928 645 N CB 1.050 39.584 38.487 0.078 0.000 1.219 645 N HN 0.175 nan 8.380 nan 0.000 0.492 646 P HA -0.079 nan 4.420 nan 0.000 0.217 646 P C 0.687 178.016 177.300 0.048 0.000 1.148 646 P CA 1.126 64.263 63.100 0.062 0.000 0.828 646 P CB 0.422 32.163 31.700 0.068 0.000 0.783 647 N N -0.840 117.890 118.700 0.049 0.000 2.424 647 N HA -0.018 4.721 4.740 -0.001 0.000 0.178 647 N C 0.726 176.262 175.510 0.042 0.000 1.060 647 N CA 0.150 53.227 53.050 0.044 0.000 0.901 647 N CB -0.338 38.176 38.487 0.045 0.000 0.979 647 N HN 0.331 nan 8.380 nan 0.000 0.451 648 R N 2.531 123.058 120.500 0.044 0.000 2.585 648 R HA 0.006 4.345 4.340 -0.001 0.000 0.275 648 R C 0.102 176.426 176.300 0.041 0.000 1.018 648 R CA -0.169 55.959 56.100 0.047 0.000 1.072 648 R CB 0.182 30.512 30.300 0.051 0.000 0.953 648 R HN 0.036 nan 8.270 nan 0.000 0.419 649 K N 2.699 123.128 120.400 0.048 0.000 2.350 649 K HA 0.127 4.446 4.320 -0.001 0.000 0.279 649 K C -0.676 175.962 176.600 0.063 0.000 1.027 649 K CA -0.646 55.670 56.287 0.049 0.000 0.969 649 K CB 0.775 33.302 32.500 0.045 0.000 0.954 649 K HN 0.348 nan 8.250 nan 0.000 0.474 650 K N 2.500 122.937 120.400 0.061 0.000 2.298 650 K HA 0.106 4.425 4.320 -0.001 0.000 0.280 650 K C -0.243 176.420 176.600 0.104 0.000 1.032 650 K CA -0.288 56.048 56.287 0.081 0.000 0.958 650 K CB 1.228 33.762 32.500 0.056 0.000 0.978 650 K HN 0.897 nan 8.250 nan 0.000 0.472 651 T N -1.644 112.998 114.554 0.146 0.000 3.068 651 T HA 0.275 4.624 4.350 -0.001 0.000 0.364 651 T C 0.008 174.823 174.700 0.192 0.000 1.161 651 T CA -0.862 61.326 62.100 0.147 0.000 1.155 651 T CB 0.222 69.149 68.868 0.098 0.000 1.060 651 T HN 0.094 nan 8.240 nan 0.000 0.513 652 V N 2.913 122.928 119.914 0.168 0.000 2.655 652 V HA 0.464 4.583 4.120 -0.001 0.000 0.300 652 V C 1.425 177.644 176.094 0.208 0.000 1.044 652 V CA -0.483 61.909 62.300 0.153 0.000 1.095 652 V CB 0.080 31.961 31.823 0.096 0.000 0.952 652 V HN 1.139 nan 8.190 nan 0.000 0.485 653 A N 5.178 128.116 122.820 0.197 0.000 2.566 653 A HA 0.313 4.632 4.320 -0.001 0.000 0.245 653 A C 1.093 178.768 177.584 0.151 0.000 1.056 653 A CA 0.221 52.395 52.037 0.229 0.000 0.757 653 A CB -0.697 18.378 19.000 0.125 0.000 0.979 653 A HN 1.285 nan 8.150 nan 0.000 0.508 654 L N -0.241 121.060 121.223 0.130 0.000 4.988 654 L HA -0.322 4.018 4.340 -0.001 0.000 0.439 654 L C 2.046 178.770 176.870 -0.243 0.000 1.080 654 L CA 1.324 56.032 54.840 -0.220 0.000 1.018 654 L CB -1.272 40.771 42.059 -0.027 0.000 1.945 654 L HN 0.958 nan 8.230 nan 0.000 0.782 655 R N 1.122 121.604 120.500 -0.031 0.000 2.092 655 R HA -0.168 4.171 4.340 -0.001 0.000 0.231 655 R C 2.251 178.565 176.300 0.023 0.000 1.119 655 R CA 2.150 58.269 56.100 0.032 0.000 0.970 655 R CB -0.228 30.137 30.300 0.108 0.000 0.864 655 R HN 0.748 nan 8.270 nan 0.000 0.440 656 W N -0.241 121.133 121.300 0.125 0.000 2.338 656 W HA -0.223 4.437 4.660 -0.001 0.000 0.304 656 W C 1.559 178.147 176.519 0.115 0.000 1.212 656 W CA 0.372 57.773 57.345 0.094 0.000 1.264 656 W CB -1.301 28.208 29.460 0.081 0.000 1.142 656 W HN 0.059 nan 8.180 nan 0.000 0.512 657 F N 2.884 122.318 119.950 -0.860 0.000 2.146 657 F HA 0.098 4.624 4.527 -0.001 0.000 0.298 657 F C 2.621 178.220 175.800 -0.336 0.000 1.096 657 F CA 2.450 59.997 58.000 -0.755 0.000 1.275 657 F CB -0.858 37.426 39.000 -1.194 0.000 1.008 657 F HN -0.098 nan 8.300 nan 0.000 0.480 658 A N -0.015 122.628 122.820 -0.296 0.000 1.972 658 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 658 A C 1.938 179.388 177.584 -0.223 0.000 1.169 658 A CA 1.826 53.755 52.037 -0.179 0.000 0.635 658 A CB -0.748 18.344 19.000 0.153 0.000 0.810 658 A HN 0.593 nan 8.150 nan 0.000 0.446 659 E N -1.248 118.869 120.200 -0.138 0.000 2.463 659 E HA 0.296 4.645 4.350 -0.001 0.000 0.193 659 E C 0.830 177.374 176.600 -0.094 0.000 1.041 659 E CA 0.123 56.474 56.400 -0.083 0.000 0.879 659 E CB -0.049 29.650 29.700 -0.003 0.000 0.997 659 E HN 0.671 nan 8.360 nan 0.000 0.478 660 G N 3.048 111.747 108.800 -0.169 0.000 2.273 660 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.280 660 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.280 660 G C 0.141 175.054 174.900 0.022 0.000 1.047 660 G CA 0.988 46.021 45.100 -0.111 0.000 0.869 660 G HN 0.356 nan 8.290 nan 0.000 0.502 661 R N -1.521 119.051 120.500 0.119 0.000 2.960 661 R HA 0.739 5.078 4.340 -0.001 0.000 0.249 661 R C -0.442 175.993 176.300 0.225 0.000 1.192 661 R CA -1.129 55.054 56.100 0.138 0.000 1.035 661 R CB 0.997 31.361 30.300 0.106 0.000 1.234 661 R HN 0.066 nan 8.270 nan 0.000 0.493 662 E N 1.913 122.176 120.200 0.106 0.000 2.452 662 E HA -0.035 4.314 4.350 -0.001 0.000 0.261 662 E C -0.468 176.073 176.600 -0.098 0.000 0.987 662 E CA 0.062 56.466 56.400 0.008 0.000 0.926 662 E CB 0.504 30.172 29.700 -0.054 0.000 0.934 662 E HN 0.238 nan 8.360 nan 0.000 0.452 663 K N 3.377 123.487 120.400 -0.482 0.000 2.491 663 K HA -0.104 4.215 4.320 -0.001 0.000 0.279 663 K C -0.385 175.811 176.600 -0.673 0.000 1.026 663 K CA 0.376 55.880 56.287 -1.305 0.000 1.070 663 K CB 0.359 31.909 32.500 -1.584 0.000 0.887 663 K HN 0.608 nan 8.250 nan 0.000 0.481 664 D N 1.420 121.496 120.400 -0.540 0.000 2.527 664 D HA -0.016 4.623 4.640 -0.001 0.000 0.224 664 D C 0.369 176.553 176.300 -0.194 0.000 1.217 664 D CA -0.290 53.570 54.000 -0.233 0.000 0.819 664 D CB -0.030 40.736 40.800 -0.056 0.000 1.061 664 D HN 0.490 nan 8.370 nan 0.000 0.515 665 T N -2.435 111.956 114.554 -0.272 0.000 2.824 665 T HA 0.449 4.798 4.350 -0.001 0.000 0.277 665 T C -1.959 172.507 174.700 -0.391 0.000 0.975 665 T CA -1.351 60.569 62.100 -0.301 0.000 0.966 665 T CB 1.598 70.323 68.868 -0.238 0.000 1.054 665 T HN -0.324 nan 8.240 nan 0.000 0.533 666 P HA 0.210 nan 4.420 nan 0.000 0.249 666 P C -0.056 177.159 177.300 -0.142 0.000 1.229 666 P CA -0.078 62.811 63.100 -0.352 0.000 0.788 666 P CB -0.094 31.413 31.700 -0.322 0.000 1.072 667 D N -0.906 119.376 120.400 -0.196 0.000 2.478 667 D HA -0.120 4.519 4.640 -0.001 0.000 0.234 667 D C 0.203 176.610 176.300 0.178 0.000 1.154 667 D CA 0.201 54.339 54.000 0.229 0.000 0.874 667 D CB 0.342 41.369 40.800 0.378 0.000 1.198 667 D HN 0.019 nan 8.370 nan 0.000 0.455 668 W N 2.204 123.357 121.300 -0.244 0.000 3.377 668 W HA 0.357 5.016 4.660 -0.001 0.000 0.277 668 W C 0.916 176.864 176.519 -0.952 0.000 1.311 668 W CA -0.093 56.948 57.345 -0.506 0.000 1.703 668 W CB -0.574 28.535 29.460 -0.586 0.000 1.095 668 W HN 0.389 nan 8.180 nan 0.000 0.715 669 G N -0.770 107.333 108.800 -1.162 0.000 2.550 669 G HA2 0.439 4.398 3.960 -0.001 0.000 0.293 669 G HA3 0.439 4.398 3.960 -0.001 0.000 0.293 669 G C -3.051 171.148 174.900 -1.170 0.000 1.402 669 G CA -1.121 42.877 45.100 -1.836 0.000 0.784 669 G HN -0.421 nan 8.290 nan 0.000 0.482 670 P HA 0.279 nan 4.420 nan 0.000 0.274 670 P C -0.397 176.581 177.300 -0.536 0.000 1.246 670 P CA -0.332 62.272 63.100 -0.826 0.000 0.795 670 P CB 1.036 32.607 31.700 -0.215 0.000 1.006 671 R N 0.553 120.837 120.500 -0.360 0.000 2.641 671 R HA 0.189 4.529 4.340 -0.001 0.000 0.269 671 R C 1.838 178.032 176.300 -0.175 0.000 1.074 671 R CA -0.540 55.421 56.100 -0.233 0.000 1.133 671 R CB 0.090 30.308 30.300 -0.138 0.000 1.029 671 R HN 0.468 nan 8.270 nan 0.000 0.488 672 L N 1.918 123.046 121.223 -0.158 0.000 2.043 672 L HA -0.315 4.024 4.340 -0.001 0.000 0.212 672 L C 1.915 178.731 176.870 -0.090 0.000 1.075 672 L CA 2.261 57.024 54.840 -0.128 0.000 0.752 672 L CB -0.708 41.278 42.059 -0.121 0.000 0.891 672 L HN 0.765 nan 8.230 nan 0.000 0.432 673 N N -0.799 117.856 118.700 -0.075 0.000 2.453 673 N HA -0.198 4.542 4.740 -0.001 0.000 0.183 673 N C 1.109 176.596 175.510 -0.037 0.000 1.041 673 N CA 1.242 54.264 53.050 -0.048 0.000 0.900 673 N CB -0.433 38.033 38.487 -0.035 0.000 0.961 673 N HN 0.389 nan 8.380 nan 0.000 0.443 674 N N -0.849 117.823 118.700 -0.047 0.000 2.314 674 N HA 0.105 4.845 4.740 -0.001 0.000 0.200 674 N C -0.610 174.887 175.510 -0.022 0.000 1.135 674 N CA -0.064 52.969 53.050 -0.028 0.000 0.835 674 N CB 0.300 38.772 38.487 -0.024 0.000 0.989 674 N HN 0.358 nan 8.380 nan 0.000 0.478 675 Q N -0.257 119.524 119.800 -0.032 0.000 2.495 675 Q HA 0.492 4.831 4.340 -0.001 0.000 0.287 675 Q C -1.297 174.694 176.000 -0.014 0.000 1.078 675 Q CA -0.888 54.906 55.803 -0.015 0.000 0.793 675 Q CB 2.927 31.642 28.738 -0.039 0.000 1.459 675 Q HN -0.117 nan 8.270 nan 0.000 0.422 676 V N 0.913 120.829 119.914 0.003 0.000 2.357 676 V HA 0.125 4.244 4.120 -0.001 0.000 0.284 676 V C -0.068 176.024 176.094 -0.004 0.000 1.018 676 V CA -0.469 61.831 62.300 -0.001 0.000 0.841 676 V CB 1.131 32.960 31.823 0.010 0.000 0.991 676 V HN 1.085 nan 8.190 nan 0.000 0.437 677 C N 5.141 124.429 119.300 -0.020 0.000 4.274 677 C HA -0.157 4.303 4.460 -0.001 0.000 0.297 677 C C 1.434 176.404 174.990 -0.033 0.000 1.446 677 C CA 0.883 59.886 59.018 -0.026 0.000 2.016 677 C CB -2.460 25.273 27.740 -0.013 0.000 1.273 677 C HN 1.214 nan 8.230 nan 0.000 0.782 678 R N -1.760 118.709 120.500 -0.051 0.000 3.405 678 R HA -0.241 4.099 4.340 -0.001 0.000 0.258 678 R C -0.505 175.762 176.300 -0.054 0.000 1.030 678 R CA 1.746 57.794 56.100 -0.085 0.000 0.691 678 R CB -1.828 28.391 30.300 -0.136 0.000 1.093 678 R HN 0.771 nan 8.270 nan 0.000 0.448 679 K N 0.236 120.657 120.400 0.035 0.000 2.328 679 K HA 0.705 5.024 4.320 -0.001 0.000 0.246 679 K C 0.352 177.098 176.600 0.243 0.000 0.955 679 K CA -0.379 56.003 56.287 0.159 0.000 0.817 679 K CB 2.159 34.733 32.500 0.122 0.000 1.208 679 K HN 0.410 nan 8.250 nan 0.000 0.432 680 G N 0.827 109.909 108.800 0.470 0.000 2.781 680 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.683 680 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.683 680 G C -0.567 174.563 174.900 0.383 0.000 1.390 680 G CA -0.962 44.408 45.100 0.450 0.000 0.850 680 G HN 0.402 nan 8.290 nan 0.000 0.557 681 L N 0.269 121.596 121.223 0.174 0.000 2.476 681 L HA 0.289 4.629 4.340 -0.001 0.000 0.255 681 L C 2.246 179.125 176.870 0.015 0.000 1.218 681 L CA 0.217 55.036 54.840 -0.035 0.000 0.819 681 L CB 0.619 42.538 42.059 -0.233 0.000 1.119 681 L HN 0.899 nan 8.230 nan 0.000 0.485 682 Q N 0.311 120.098 119.800 -0.022 0.000 2.364 682 Q HA -0.086 4.253 4.340 -0.001 0.000 0.207 682 Q C 0.553 176.561 176.000 0.012 0.000 0.970 682 Q CA 0.829 56.647 55.803 0.025 0.000 0.888 682 Q CB 0.016 28.818 28.738 0.107 0.000 0.951 682 Q HN 0.837 nan 8.270 nan 0.000 0.469 683 T N -2.263 112.295 114.554 0.008 0.000 2.855 683 T HA 0.006 4.355 4.350 -0.001 0.000 0.322 683 T C 1.048 175.760 174.700 0.021 0.000 1.088 683 T CA 0.207 62.322 62.100 0.025 0.000 1.104 683 T CB 1.031 69.928 68.868 0.049 0.000 0.996 683 T HN 0.076 nan 8.240 nan 0.000 0.549 684 T N 1.899 116.461 114.554 0.013 0.000 2.624 684 T HA -0.192 4.157 4.350 -0.001 0.000 0.268 684 T C 2.276 176.966 174.700 -0.016 0.000 1.041 684 T CA 2.410 64.509 62.100 -0.001 0.000 1.159 684 T CB -1.050 67.814 68.868 -0.006 0.000 0.863 684 T HN 1.007 nan 8.240 nan 0.000 0.434 685 T N -1.217 113.309 114.554 -0.048 0.000 3.055 685 T HA 0.282 4.631 4.350 -0.001 0.000 0.265 685 T C 1.849 176.567 174.700 0.030 0.000 1.111 685 T CA 1.111 63.178 62.100 -0.055 0.000 1.118 685 T CB -0.384 68.381 68.868 -0.171 0.000 0.909 685 T HN 0.643 nan 8.240 nan 0.000 0.501 686 G N 1.082 109.917 108.800 0.059 0.000 2.179 686 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.260 686 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.260 686 G C -0.006 175.020 174.900 0.209 0.000 0.977 686 G CA 0.453 45.624 45.100 0.118 0.000 0.641 686 G HN 0.706 nan 8.290 nan 0.000 0.533 687 K N -0.757 119.755 120.400 0.187 0.000 2.313 687 K HA 0.697 5.016 4.320 -0.001 0.000 0.235 687 K C 0.096 176.847 176.600 0.251 0.000 1.035 687 K CA -0.999 55.461 56.287 0.289 0.000 0.868 687 K CB 2.150 34.804 32.500 0.256 0.000 1.232 687 K HN 0.001 nan 8.250 nan 0.000 0.459 688 V N 2.435 122.545 119.914 0.326 0.000 2.439 688 V HA 0.024 4.143 4.120 -0.001 0.000 0.271 688 V C -0.228 176.023 176.094 0.262 0.000 1.040 688 V CA 0.079 62.520 62.300 0.235 0.000 1.002 688 V CB 0.232 32.212 31.823 0.260 0.000 1.000 688 V HN 0.603 nan 8.190 nan 0.000 0.477 689 E N 4.753 125.049 120.200 0.160 0.000 1.993 689 E HA 0.230 4.579 4.350 -0.001 0.000 0.271 689 E C -0.081 176.573 176.600 0.089 0.000 1.008 689 E CA -0.256 56.295 56.400 0.251 0.000 0.814 689 E CB 0.565 30.420 29.700 0.258 0.000 1.098 689 E HN 0.608 nan 8.360 nan 0.000 0.407 690 F N 1.453 121.422 119.950 0.031 0.000 2.365 690 F HA 0.000 4.526 4.527 -0.001 0.000 0.300 690 F C 1.023 176.828 175.800 0.009 0.000 1.090 690 F CA 0.712 58.648 58.000 -0.107 0.000 1.408 690 F CB 0.173 39.052 39.000 -0.201 0.000 1.060 690 F HN 0.332 nan 8.300 nan 0.000 0.534 691 I N 0.366 121.073 120.570 0.228 0.000 2.437 691 I HA 0.334 4.503 4.170 -0.001 0.000 0.279 691 I C -0.148 176.099 176.117 0.218 0.000 1.028 691 I CA -0.879 60.529 61.300 0.180 0.000 1.142 691 I CB 0.958 39.035 38.000 0.128 0.000 1.266 691 I HN -0.192 nan 8.210 nan 0.000 0.461 692 A N 4.013 126.929 122.820 0.161 0.000 2.451 692 A HA 0.271 4.591 4.320 -0.001 0.000 0.266 692 A C 1.498 179.180 177.584 0.164 0.000 1.119 692 A CA 0.081 52.216 52.037 0.162 0.000 0.786 692 A CB 0.114 19.192 19.000 0.131 0.000 1.061 692 A HN 0.859 nan 8.150 nan 0.000 0.503 693 T N 0.570 115.226 114.554 0.170 0.000 2.821 693 T HA -0.204 4.145 4.350 -0.001 0.000 0.267 693 T C 1.973 176.746 174.700 0.123 0.000 1.046 693 T CA 1.804 63.989 62.100 0.140 0.000 1.139 693 T CB -0.742 68.180 68.868 0.091 0.000 0.871 693 T HN 1.027 nan 8.240 nan 0.000 0.454 694 S N 2.525 118.302 115.700 0.128 0.000 2.356 694 S HA -0.004 4.465 4.470 -0.001 0.000 0.223 694 S C 2.131 176.791 174.600 0.099 0.000 1.032 694 S CA 1.100 59.377 58.200 0.128 0.000 1.005 694 S CB -1.062 62.262 63.200 0.206 0.000 0.867 694 S HN 0.512 nan 8.310 nan 0.000 0.449 695 L N 1.227 122.478 121.223 0.047 0.000 2.141 695 L HA 0.029 4.368 4.340 -0.001 0.000 0.209 695 L C 2.895 179.854 176.870 0.148 0.000 1.094 695 L CA 1.341 56.201 54.840 0.033 0.000 0.763 695 L CB -0.444 41.577 42.059 -0.064 0.000 0.908 695 L HN 0.384 nan 8.230 nan 0.000 0.437 696 K N 0.649 121.126 120.400 0.130 0.000 2.097 696 K HA -0.146 4.174 4.320 -0.001 0.000 0.205 696 K C 1.711 178.392 176.600 0.135 0.000 1.050 696 K CA 1.356 57.720 56.287 0.128 0.000 0.938 696 K CB 0.009 32.583 32.500 0.124 0.000 0.718 696 K HN 0.410 nan 8.250 nan 0.000 0.442 697 N N -0.277 118.510 118.700 0.146 0.000 2.084 697 N HA -0.170 4.569 4.740 -0.001 0.000 0.190 697 N C 1.715 177.345 175.510 0.200 0.000 1.030 697 N CA 1.037 54.175 53.050 0.146 0.000 0.849 697 N CB -0.178 38.391 38.487 0.135 0.000 1.012 697 N HN 0.069 nan 8.380 nan 0.000 0.423 698 F N 2.671 122.640 119.950 0.031 0.000 2.095 698 F HA -0.202 4.324 4.527 -0.001 0.000 0.298 698 F C 2.363 178.225 175.800 0.104 0.000 1.104 698 F CA 1.591 59.602 58.000 0.019 0.000 1.232 698 F CB -0.386 38.572 39.000 -0.069 0.000 0.987 698 F HN 0.143 nan 8.300 nan 0.000 0.475 699 E N -0.574 119.707 120.200 0.135 0.000 2.150 699 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 699 E C 1.776 178.381 176.600 0.007 0.000 0.985 699 E CA 1.499 57.915 56.400 0.027 0.000 0.814 699 E CB -0.789 28.958 29.700 0.079 0.000 0.752 699 E HN 0.559 nan 8.360 nan 0.000 0.466 700 E N 0.840 121.067 120.200 0.046 0.000 2.347 700 E HA -0.112 4.237 4.350 -0.001 0.000 0.196 700 E C 1.742 178.348 176.600 0.009 0.000 1.008 700 E CA 0.503 56.920 56.400 0.028 0.000 0.852 700 E CB 0.030 29.759 29.700 0.049 0.000 0.783 700 E HN 0.374 nan 8.360 nan 0.000 0.505 701 Q N -0.663 119.153 119.800 0.027 0.000 2.444 701 Q HA 0.050 4.389 4.340 -0.001 0.000 0.206 701 Q C 0.968 176.890 176.000 -0.129 0.000 0.948 701 Q CA 0.496 56.313 55.803 0.022 0.000 0.946 701 Q CB 0.755 29.590 28.738 0.161 0.000 1.027 701 Q HN 0.395 nan 8.270 nan 0.000 0.513 702 G N -0.244 108.448 108.800 -0.180 0.000 2.184 702 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.206 702 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.206 702 G C -0.392 174.231 174.900 -0.463 0.000 0.995 702 G CA -0.580 44.334 45.100 -0.312 0.000 0.651 702 G HN 0.327 nan 8.290 nan 0.000 0.511 703 Y N 2.092 122.100 120.300 -0.487 0.000 2.724 703 Y HA 0.471 5.020 4.550 -0.001 0.000 0.332 703 Y C 0.966 176.680 175.900 -0.309 0.000 1.276 703 Y CA -1.055 56.622 58.100 -0.705 0.000 1.597 703 Y CB 0.133 37.400 38.460 -1.987 0.000 1.584 703 Y HN 0.063 nan 8.280 nan 0.000 0.478 704 I N 2.655 123.257 120.570 0.054 0.000 2.533 704 I HA 0.054 4.224 4.170 -0.001 0.000 0.284 704 I C 0.090 176.358 176.117 0.251 0.000 1.109 704 I CA 0.038 61.408 61.300 0.117 0.000 1.412 704 I CB 0.700 38.732 38.000 0.054 0.000 1.396 704 I HN 0.476 nan 8.210 nan 0.000 0.543 705 D N 5.278 125.818 120.400 0.233 0.000 2.323 705 D HA 0.076 4.715 4.640 -0.001 0.000 0.242 705 D C 0.775 177.178 176.300 0.172 0.000 1.347 705 D CA -0.334 53.814 54.000 0.246 0.000 0.988 705 D CB 0.908 41.959 40.800 0.418 0.000 1.314 705 D HN 0.650 nan 8.370 nan 0.000 0.564 706 E N 1.589 121.862 120.200 0.122 0.000 2.160 706 E HA -0.232 4.117 4.350 -0.001 0.000 0.195 706 E C 0.231 176.787 176.600 -0.073 0.000 0.991 706 E CA 1.193 57.603 56.400 0.017 0.000 0.810 706 E CB 0.162 29.849 29.700 -0.022 0.000 0.742 706 E HN 0.501 nan 8.360 nan 0.000 0.466 707 H N -0.938 118.200 119.070 0.114 0.000 2.538 707 H HA 0.262 4.817 4.556 -0.001 0.000 0.286 707 H C 0.100 175.516 175.328 0.147 0.000 1.035 707 H CA 0.229 56.366 56.048 0.147 0.000 1.169 707 H CB 0.369 30.257 29.762 0.212 0.000 1.417 707 H HN -0.114 nan 8.280 nan 0.000 0.567 708 R N 1.429 122.049 120.500 0.200 0.000 2.640 708 R HA 0.144 4.483 4.340 -0.001 0.000 0.240 708 R C -3.130 173.255 176.300 0.141 0.000 1.519 708 R CA -1.469 54.739 56.100 0.180 0.000 1.570 708 R CB 0.602 31.034 30.300 0.220 0.000 1.446 708 R HN 0.117 nan 8.270 nan 0.000 0.738 709 P HA 0.029 nan 4.420 nan 0.000 0.272 709 P C 0.641 177.989 177.300 0.081 0.000 1.223 709 P CA 0.095 63.241 63.100 0.077 0.000 0.784 709 P CB 1.382 33.103 31.700 0.035 0.000 0.923 710 S N 2.046 117.794 115.700 0.079 0.000 2.399 710 S HA -0.102 4.367 4.470 -0.001 0.000 0.231 710 S C 1.121 175.778 174.600 0.095 0.000 1.022 710 S CA 0.568 58.817 58.200 0.082 0.000 0.983 710 S CB -0.483 62.773 63.200 0.094 0.000 0.803 710 S HN 0.600 nan 8.310 nan 0.000 0.480 711 M N 2.422 122.077 119.600 0.092 0.000 2.209 711 M HA 0.302 4.781 4.480 -0.001 0.000 0.355 711 M C -0.493 175.908 176.300 0.170 0.000 1.171 711 M CA -0.705 54.675 55.300 0.133 0.000 1.069 711 M CB 0.960 33.622 32.600 0.103 0.000 1.622 711 M HN 0.319 nan 8.290 nan 0.000 0.459 712 H N 4.226 123.382 119.070 0.144 0.000 3.138 712 H HA 0.257 4.812 4.556 -0.001 0.000 0.275 712 H C -0.933 174.689 175.328 0.490 0.000 0.997 712 H CA 0.867 57.050 56.048 0.224 0.000 1.460 712 H CB 0.069 29.863 29.762 0.052 0.000 1.524 712 H HN 0.739 nan 8.280 nan 0.000 0.532 713 T N 1.585 116.213 114.554 0.124 0.000 2.804 713 T HA 0.171 4.521 4.350 -0.001 0.000 0.290 713 T C -0.721 174.130 174.700 0.252 0.000 1.099 713 T CA -1.018 61.022 62.100 -0.101 0.000 1.011 713 T CB 0.591 69.139 68.868 -0.532 0.000 1.291 713 T HN 0.453 nan 8.240 nan 0.000 0.523 714 Y N 1.842 122.147 120.300 0.008 0.000 2.568 714 Y HA 0.493 5.043 4.550 -0.001 0.000 0.338 714 Y C -0.452 175.579 175.900 0.219 0.000 1.245 714 Y CA -1.038 57.188 58.100 0.209 0.000 1.667 714 Y CB -0.603 37.850 38.460 -0.012 0.000 1.568 714 Y HN 0.492 nan 8.280 nan 0.000 0.471 715 V N 8.585 128.482 119.914 -0.027 0.000 2.408 715 V HA 0.205 4.324 4.120 -0.001 0.000 0.267 715 V C -1.982 173.975 176.094 -0.230 0.000 1.047 715 V CA -1.915 60.325 62.300 -0.100 0.000 0.937 715 V CB 0.574 32.395 31.823 -0.002 0.000 0.999 715 V HN 0.622 nan 8.190 nan 0.000 0.472 716 P HA 0.141 nan 4.420 nan 0.000 0.267 716 P C -0.112 177.154 177.300 -0.056 0.000 1.205 716 P CA 0.086 62.914 63.100 -0.453 0.000 0.765 716 P CB 0.513 31.709 31.700 -0.840 0.000 0.828 717 A N 4.968 127.819 122.820 0.051 0.000 2.548 717 A HA -0.010 4.310 4.320 -0.001 0.000 0.247 717 A C 1.311 178.955 177.584 0.099 0.000 1.067 717 A CA -0.389 51.662 52.037 0.024 0.000 0.757 717 A CB -0.396 18.579 19.000 -0.042 0.000 0.996 717 A HN 0.850 nan 8.150 nan 0.000 0.504 718 W N 1.591 122.967 121.300 0.126 0.000 2.611 718 W HA 0.058 4.717 4.660 -0.001 0.000 0.251 718 W C 0.172 176.734 176.519 0.072 0.000 1.265 718 W CA 0.686 58.082 57.345 0.085 0.000 1.295 718 W CB -0.150 29.270 29.460 -0.067 0.000 1.129 718 W HN 0.747 nan 8.180 nan 0.000 0.630 719 E N 2.237 122.467 120.200 0.049 0.000 3.037 719 E HA 0.214 4.563 4.350 -0.001 0.000 0.220 719 E C -0.679 175.910 176.600 -0.018 0.000 1.142 719 E CA -0.175 56.276 56.400 0.086 0.000 0.888 719 E CB 0.436 30.148 29.700 0.020 0.000 1.329 719 E HN 0.055 nan 8.360 nan 0.000 0.409 720 S N 1.262 116.999 115.700 0.062 0.000 2.632 720 S HA 0.270 4.739 4.470 -0.001 0.000 0.289 720 S C 0.856 175.472 174.600 0.027 0.000 1.115 720 S CA -0.798 57.421 58.200 0.032 0.000 0.889 720 S CB 1.666 64.927 63.200 0.100 0.000 1.116 720 S HN 0.370 nan 8.310 nan 0.000 0.486 721 Q N 0.701 120.489 119.800 -0.019 0.000 2.167 721 Q HA -0.094 4.246 4.340 -0.001 0.000 0.202 721 Q C 1.746 177.696 176.000 -0.083 0.000 0.970 721 Q CA 1.599 57.379 55.803 -0.038 0.000 0.855 721 Q CB -0.310 28.399 28.738 -0.048 0.000 0.911 721 Q HN 0.864 nan 8.270 nan 0.000 0.438 722 K N -1.138 119.149 120.400 -0.189 0.000 2.354 722 K HA 0.040 4.359 4.320 -0.001 0.000 0.194 722 K C 0.863 177.244 176.600 -0.366 0.000 1.038 722 K CA 0.422 56.523 56.287 -0.311 0.000 1.052 722 K CB 0.449 32.687 32.500 -0.437 0.000 0.861 722 K HN 0.168 nan 8.250 nan 0.000 0.535 723 H N 0.048 119.157 119.070 0.066 0.000 2.755 723 H HA 0.187 4.742 4.556 -0.001 0.000 0.273 723 H C -0.282 175.114 175.328 0.113 0.000 1.055 723 H CA -0.101 56.005 56.048 0.096 0.000 1.191 723 H CB 1.080 30.915 29.762 0.121 0.000 1.536 723 H HN 0.125 nan 8.280 nan 0.000 0.529 724 S N 1.454 117.255 115.700 0.170 0.000 2.454 724 S HA 0.292 4.761 4.470 -0.001 0.000 0.306 724 S C -1.888 172.772 174.600 0.100 0.000 1.100 724 S CA -1.500 56.796 58.200 0.160 0.000 1.087 724 S CB 1.829 65.134 63.200 0.176 0.000 1.019 724 S HN -0.139 nan 8.310 nan 0.000 0.480 725 P HA -0.012 nan 4.420 nan 0.000 0.222 725 P C 1.071 178.391 177.300 0.033 0.000 1.147 725 P CA 0.409 63.541 63.100 0.052 0.000 0.790 725 P CB 0.132 31.863 31.700 0.052 0.000 0.780 726 L N -0.730 120.535 121.223 0.070 0.000 2.362 726 L HA -0.037 4.302 4.340 -0.001 0.000 0.219 726 L C 2.235 179.120 176.870 0.026 0.000 1.134 726 L CA 1.127 56.015 54.840 0.079 0.000 0.807 726 L CB -1.785 40.397 42.059 0.205 0.000 0.927 726 L HN -0.068 nan 8.230 nan 0.000 0.447 727 A N -1.228 121.609 122.820 0.028 0.000 2.070 727 A HA -0.113 4.206 4.320 -0.001 0.000 0.220 727 A C 2.365 179.917 177.584 -0.053 0.000 1.159 727 A CA 1.411 53.451 52.037 0.005 0.000 0.656 727 A CB -0.586 18.415 19.000 0.002 0.000 0.800 727 A HN 0.214 nan 8.150 nan 0.000 0.453 728 V N 0.012 119.877 119.914 -0.081 0.000 2.295 728 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 728 V C 2.416 178.408 176.094 -0.171 0.000 1.049 728 V CA 2.443 64.683 62.300 -0.100 0.000 1.024 728 V CB -0.544 31.229 31.823 -0.084 0.000 0.648 728 V HN 0.575 nan 8.190 nan 0.000 0.447 729 K N -1.212 118.982 120.400 -0.345 0.000 2.186 729 K HA 0.022 4.341 4.320 -0.001 0.000 0.202 729 K C -0.044 176.195 176.600 -0.602 0.000 1.052 729 K CA 0.722 56.654 56.287 -0.592 0.000 0.965 729 K CB 0.141 31.981 32.500 -1.099 0.000 0.746 729 K HN 0.470 nan 8.250 nan 0.000 0.457 730 Y N 0.904 121.174 120.300 -0.049 0.000 2.837 730 Y HA 0.220 4.769 4.550 -0.001 0.000 0.356 730 Y C -2.041 173.816 175.900 -0.071 0.000 1.035 730 Y CA -3.205 54.834 58.100 -0.102 0.000 1.165 730 Y CB 0.681 39.073 38.460 -0.112 0.000 1.147 730 Y HN -0.005 nan 8.280 nan 0.000 0.628 731 P HA -0.073 nan 4.420 nan 0.000 0.229 731 P C 0.052 177.353 177.300 0.003 0.000 1.160 731 P CA 0.882 63.984 63.100 0.004 0.000 0.777 731 P CB 0.915 32.608 31.700 -0.012 0.000 0.814 732 L N 0.340 121.566 121.223 0.004 0.000 2.305 732 L HA 0.447 4.787 4.340 -0.001 0.000 0.281 732 L C 1.079 177.940 176.870 -0.014 0.000 1.085 732 L CA -0.759 54.075 54.840 -0.010 0.000 0.813 732 L CB 1.048 43.095 42.059 -0.021 0.000 1.157 732 L HN -0.107 nan 8.230 nan 0.000 0.436 733 G N 4.236 113.027 108.800 -0.015 0.000 2.333 733 G HA2 0.482 4.441 3.960 -0.001 0.000 0.290 733 G HA3 0.482 4.441 3.960 -0.001 0.000 0.290 733 G C -0.616 174.269 174.900 -0.024 0.000 1.150 733 G CA -0.453 44.634 45.100 -0.021 0.000 0.895 733 G HN 0.570 nan 8.290 nan 0.000 0.444 734 M N 3.757 123.333 119.600 -0.040 0.000 2.364 734 M HA 0.677 5.157 4.480 -0.001 0.000 0.334 734 M C -0.840 175.424 176.300 -0.059 0.000 1.107 734 M CA -1.004 54.265 55.300 -0.052 0.000 0.988 734 M CB 1.631 34.189 32.600 -0.070 0.000 1.673 734 M HN 0.478 nan 8.290 nan 0.000 0.441 735 L N 2.788 123.967 121.223 -0.072 0.000 2.342 735 L HA 0.874 5.213 4.340 -0.001 0.000 0.271 735 L C -0.796 175.957 176.870 -0.196 0.000 1.008 735 L CA -0.574 54.220 54.840 -0.077 0.000 0.818 735 L CB 2.148 44.204 42.059 -0.005 0.000 1.296 735 L HN 0.771 nan 8.230 nan 0.000 0.427 736 S N 0.597 116.215 115.700 -0.136 0.000 2.204 736 S HA 0.549 5.018 4.470 -0.001 0.000 0.147 736 S C -2.654 171.960 174.600 0.024 0.000 1.711 736 S CA -1.033 57.080 58.200 -0.144 0.000 1.274 736 S CB 0.322 63.482 63.200 -0.067 0.000 1.257 736 S HN 0.546 nan 8.310 nan 0.000 0.404 737 P HA 0.171 nan 4.420 nan 0.000 0.280 737 P C -0.102 177.498 177.300 0.500 0.000 1.278 737 P CA -0.327 62.955 63.100 0.304 0.000 0.787 737 P CB 0.244 32.148 31.700 0.339 0.000 1.163 738 H N 0.339 119.498 119.070 0.149 0.000 2.732 738 H HA 0.109 4.664 4.556 -0.001 0.000 0.351 738 H C -1.653 173.510 175.328 -0.274 0.000 1.090 738 H CA -1.752 54.277 56.048 -0.032 0.000 1.431 738 H CB -0.219 29.420 29.762 -0.205 0.000 1.447 738 H HN 0.348 nan 8.280 nan 0.000 0.582 739 P HA -0.076 nan 4.420 nan 0.000 0.264 739 P C 0.558 177.479 177.300 -0.632 0.000 1.193 739 P CA -0.020 62.775 63.100 -0.508 0.000 0.763 739 P CB 1.084 32.790 31.700 0.010 0.000 0.810 740 R N 4.101 124.003 120.500 -0.996 0.000 2.081 740 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 740 R C 1.081 176.955 176.300 -0.711 0.000 1.131 740 R CA 1.840 57.436 56.100 -0.841 0.000 0.960 740 R CB -1.079 28.584 30.300 -1.060 0.000 0.856 740 R HN 0.446 nan 8.270 nan 0.000 0.436 741 F N -0.241 119.648 119.950 -0.102 0.000 2.668 741 F HA 0.439 4.965 4.527 -0.001 0.000 0.297 741 F C 0.148 175.931 175.800 -0.029 0.000 1.124 741 F CA -0.258 57.699 58.000 -0.073 0.000 1.353 741 F CB 0.507 39.371 39.000 -0.226 0.000 0.992 741 F HN -0.058 nan 8.300 nan 0.000 0.524 742 S N 0.522 116.270 115.700 0.081 0.000 2.550 742 S HA 0.467 4.937 4.470 -0.001 0.000 0.270 742 S C -1.037 173.219 174.600 -0.574 0.000 1.145 742 S CA -0.699 57.421 58.200 -0.133 0.000 0.852 742 S CB 1.313 64.498 63.200 -0.024 0.000 1.119 742 S HN 0.019 nan 8.310 nan 0.000 0.465 743 M N 5.228 124.269 119.600 -0.932 0.000 2.589 743 M HA 0.329 4.808 4.480 -0.001 0.000 0.340 743 M C 0.249 176.327 176.300 -0.370 0.000 1.308 743 M CA 0.745 55.528 55.300 -0.863 0.000 1.332 743 M CB -1.853 30.251 32.600 -0.826 0.000 1.219 743 M HN 0.953 nan 8.290 nan 0.000 0.467 744 H N 0.102 119.009 119.070 -0.271 0.000 1.452 744 H HA -0.254 4.301 4.556 -0.001 0.000 0.090 744 H C 1.218 176.463 175.328 -0.139 0.000 0.692 744 H CA 2.516 58.449 56.048 -0.192 0.000 1.901 744 H CB -1.415 28.250 29.762 -0.162 0.000 2.257 744 H HN 0.590 nan 8.280 nan 0.000 0.961 745 T N 0.347 114.922 114.554 0.035 0.000 3.055 745 T HA 0.126 4.475 4.350 -0.001 0.000 0.265 745 T C 1.359 175.979 174.700 -0.133 0.000 1.111 745 T CA 1.082 63.146 62.100 -0.061 0.000 1.118 745 T CB -0.133 68.683 68.868 -0.086 0.000 0.909 745 T HN 0.277 nan 8.240 nan 0.000 0.501 746 M N 2.115 121.645 119.600 -0.118 0.000 2.821 746 M HA 0.457 4.936 4.480 -0.001 0.000 0.305 746 M C 1.305 177.484 176.300 -0.201 0.000 1.466 746 M CA 0.276 55.467 55.300 -0.183 0.000 1.526 746 M CB 0.139 32.738 32.600 -0.001 0.000 1.321 746 M HN 0.573 nan 8.290 nan 0.000 0.492 747 G N 1.045 109.684 108.800 -0.269 0.000 3.967 747 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.210 747 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.210 747 G C -0.266 174.528 174.900 -0.177 0.000 1.127 747 G CA -0.612 44.379 45.100 -0.182 0.000 0.887 747 G HN 0.535 nan 8.290 nan 0.000 0.367 748 D N 0.872 121.229 120.400 -0.071 0.000 2.360 748 D HA 0.504 5.143 4.640 -0.001 0.000 0.242 748 D C 1.357 177.616 176.300 -0.069 0.000 1.184 748 D CA 1.991 56.056 54.000 0.108 0.000 0.930 748 D CB 0.619 41.610 40.800 0.318 0.000 1.161 748 D HN 1.378 nan 8.370 nan 0.000 0.447 749 G N 1.880 110.666 108.800 -0.024 0.000 2.578 749 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.275 749 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.275 749 G C 0.044 174.823 174.900 -0.201 0.000 1.271 749 G CA 0.479 45.508 45.100 -0.118 0.000 0.941 749 G HN 0.921 nan 8.290 nan 0.000 0.564 750 K N -1.060 119.224 120.400 -0.193 0.000 3.104 750 K HA -0.340 3.979 4.320 -0.001 0.000 0.285 750 K C 0.740 177.254 176.600 -0.143 0.000 1.136 750 K CA 1.300 57.466 56.287 -0.202 0.000 0.842 750 K CB -1.550 30.643 32.500 -0.512 0.000 1.217 750 K HN 1.893 nan 8.250 nan 0.000 0.467 751 N N -0.081 118.545 118.700 -0.123 0.000 2.725 751 N HA -0.197 4.542 4.740 -0.001 0.000 0.249 751 N C -0.176 175.262 175.510 -0.119 0.000 1.103 751 N CA 1.153 54.146 53.050 -0.094 0.000 0.707 751 N CB -0.771 37.706 38.487 -0.016 0.000 1.043 751 N HN 0.660 nan 8.380 nan 0.000 0.553 752 S N -1.370 114.207 115.700 -0.205 0.000 2.624 752 S HA 0.241 4.711 4.470 -0.001 0.000 0.263 752 S C 1.264 175.802 174.600 -0.103 0.000 1.287 752 S CA -0.316 57.727 58.200 -0.262 0.000 0.990 752 S CB 0.449 63.468 63.200 -0.301 0.000 0.950 752 S HN 0.174 nan 8.310 nan 0.000 0.561 753 Y N 0.129 120.431 120.300 0.005 0.000 2.439 753 Y HA 0.059 4.608 4.550 -0.001 0.000 0.292 753 Y C 2.225 178.131 175.900 0.010 0.000 1.130 753 Y CA 0.259 58.445 58.100 0.143 0.000 1.254 753 Y CB -1.182 37.343 38.460 0.108 0.000 1.000 753 Y HN 0.480 nan 8.280 nan 0.000 0.554 754 M N 0.049 119.656 119.600 0.011 0.000 2.358 754 M HA -0.176 4.303 4.480 -0.001 0.000 0.264 754 M C 1.489 177.664 176.300 -0.208 0.000 1.064 754 M CA 1.114 56.321 55.300 -0.154 0.000 1.093 754 M CB -0.642 31.805 32.600 -0.255 0.000 1.401 754 M HN 0.159 nan 8.290 nan 0.000 0.440 755 N N -0.929 117.643 118.700 -0.214 0.000 2.520 755 N HA -0.108 4.631 4.740 -0.001 0.000 0.185 755 N C 0.844 176.135 175.510 -0.365 0.000 1.068 755 N CA 1.074 53.987 53.050 -0.228 0.000 0.911 755 N CB -0.111 38.127 38.487 -0.414 0.000 0.961 755 N HN 0.526 nan 8.380 nan 0.000 0.446 756 Y N 0.492 120.786 120.300 -0.010 0.000 2.466 756 Y HA 0.303 4.853 4.550 -0.001 0.000 0.272 756 Y C 0.914 176.755 175.900 -0.099 0.000 1.169 756 Y CA -0.438 57.638 58.100 -0.041 0.000 1.285 756 Y CB 0.299 38.736 38.460 -0.038 0.000 1.078 756 Y HN -0.120 nan 8.280 nan 0.000 0.523 757 I N 1.477 121.996 120.570 -0.084 0.000 2.533 757 I HA -0.070 4.099 4.170 -0.001 0.000 0.284 757 I C 1.159 177.158 176.117 -0.196 0.000 1.109 757 I CA 0.197 61.340 61.300 -0.263 0.000 1.412 757 I CB 1.190 38.786 38.000 -0.674 0.000 1.396 757 I HN 0.233 nan 8.210 nan 0.000 0.543 758 K N 3.191 123.500 120.400 -0.151 0.000 2.089 758 K HA -0.230 4.089 4.320 -0.001 0.000 0.210 758 K C 0.914 177.485 176.600 -0.048 0.000 1.048 758 K CA 1.674 57.917 56.287 -0.073 0.000 0.926 758 K CB -0.084 32.388 32.500 -0.047 0.000 0.714 758 K HN 0.570 nan 8.250 nan 0.000 0.448 759 D N -0.789 119.583 120.400 -0.046 0.000 2.358 759 D HA -0.019 4.621 4.640 -0.001 0.000 0.224 759 D C 0.976 177.400 176.300 0.207 0.000 1.123 759 D CA 0.218 54.291 54.000 0.121 0.000 0.833 759 D CB 0.257 41.238 40.800 0.302 0.000 0.946 759 D HN 0.222 nan 8.370 nan 0.000 0.505 760 H N -0.568 118.439 119.070 -0.106 0.000 2.348 760 H HA 0.435 4.990 4.556 -0.001 0.000 0.306 760 H C 0.078 175.270 175.328 -0.226 0.000 1.034 760 H CA 0.764 56.747 56.048 -0.108 0.000 1.395 760 H CB 0.578 30.233 29.762 -0.177 0.000 1.495 760 H HN -0.179 nan 8.280 nan 0.000 0.616 761 R N -0.243 120.131 120.500 -0.209 0.000 2.808 761 R HA 0.560 4.899 4.340 -0.001 0.000 0.272 761 R C -1.619 174.651 176.300 -0.050 0.000 0.995 761 R CA -1.068 54.922 56.100 -0.183 0.000 0.917 761 R CB 3.131 33.342 30.300 -0.148 0.000 1.217 761 R HN -0.012 nan 8.270 nan 0.000 0.471 762 V N 1.350 121.280 119.914 0.027 0.000 2.444 762 V HA 0.229 4.348 4.120 -0.001 0.000 0.294 762 V C -0.280 175.907 176.094 0.155 0.000 1.022 762 V CA -0.738 61.607 62.300 0.075 0.000 0.850 762 V CB 1.560 33.428 31.823 0.075 0.000 0.992 762 V HN 0.705 nan 8.190 nan 0.000 0.426 763 E N 3.630 123.904 120.200 0.124 0.000 2.290 763 E HA 0.492 4.841 4.350 -0.001 0.000 0.277 763 E C -1.372 175.354 176.600 0.210 0.000 1.035 763 E CA -0.209 56.288 56.400 0.161 0.000 0.873 763 E CB 1.300 31.067 29.700 0.111 0.000 1.029 763 E HN 0.500 nan 8.360 nan 0.000 0.419 764 V N 5.512 125.625 119.914 0.330 0.000 2.488 764 V HA 0.119 4.238 4.120 -0.001 0.000 0.293 764 V C -0.750 175.538 176.094 0.322 0.000 1.027 764 V CA -0.775 61.693 62.300 0.280 0.000 0.862 764 V CB 1.672 33.621 31.823 0.210 0.000 1.008 764 V HN 0.930 nan 8.190 nan 0.000 0.428 765 D N 4.195 124.718 120.400 0.205 0.000 2.723 765 D HA -0.193 4.446 4.640 -0.001 0.000 0.236 765 D C 1.278 177.700 176.300 0.204 0.000 1.138 765 D CA 1.603 55.712 54.000 0.182 0.000 0.676 765 D CB -1.007 39.901 40.800 0.179 0.000 1.069 765 D HN 1.474 nan 8.370 nan 0.000 0.430 766 G N -0.624 108.286 108.800 0.185 0.000 2.176 766 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.253 766 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.253 766 G C -0.064 174.949 174.900 0.188 0.000 0.979 766 G CA 0.513 45.711 45.100 0.162 0.000 0.641 766 G HN 0.556 nan 8.290 nan 0.000 0.530 767 Y N 1.287 121.643 120.300 0.093 0.000 2.376 767 Y HA 0.612 5.162 4.550 -0.001 0.000 0.340 767 Y C 0.065 175.929 175.900 -0.059 0.000 0.965 767 Y CA -1.122 56.943 58.100 -0.058 0.000 1.078 767 Y CB 1.260 39.591 38.460 -0.216 0.000 1.193 767 Y HN 0.028 nan 8.280 nan 0.000 0.452 768 K N 6.445 126.544 120.400 -0.503 0.000 2.263 768 K HA 0.213 4.532 4.320 -0.001 0.000 0.282 768 K C -1.538 174.917 176.600 -0.242 0.000 1.089 768 K CA -0.318 55.826 56.287 -0.239 0.000 0.907 768 K CB 0.540 32.883 32.500 -0.261 0.000 1.148 768 K HN 0.508 nan 8.250 nan 0.000 0.470 769 Y N 1.260 121.619 120.300 0.098 0.000 2.335 769 Y HA 0.122 4.671 4.550 -0.001 0.000 0.323 769 Y C 0.626 176.611 175.900 0.142 0.000 1.224 769 Y CA -0.753 57.463 58.100 0.193 0.000 1.241 769 Y CB 0.644 39.227 38.460 0.206 0.000 1.235 769 Y HN 0.542 nan 8.280 nan 0.000 0.492 770 W N 4.053 125.424 121.300 0.119 0.000 2.150 770 W HA 0.334 4.993 4.660 -0.001 0.000 0.341 770 W C -0.986 175.560 176.519 0.045 0.000 1.276 770 W CA -0.470 56.880 57.345 0.007 0.000 1.238 770 W CB 0.517 29.974 29.460 -0.006 0.000 1.128 770 W HN 0.408 nan 8.180 nan 0.000 0.581 771 I N 5.821 126.191 120.570 -0.332 0.000 2.437 771 I HA 0.281 4.450 4.170 -0.001 0.000 0.298 771 I C 0.215 176.275 176.117 -0.096 0.000 0.984 771 I CA -0.711 60.481 61.300 -0.179 0.000 1.214 771 I CB 1.688 39.552 38.000 -0.228 0.000 1.365 771 I HN 0.258 nan 8.210 nan 0.000 0.469 772 M N 6.107 125.699 119.600 -0.015 0.000 2.259 772 M HA 0.487 4.966 4.480 -0.001 0.000 0.304 772 M C -1.236 175.050 176.300 -0.024 0.000 1.019 772 M CA -0.483 54.816 55.300 -0.001 0.000 0.922 772 M CB 1.504 34.121 32.600 0.028 0.000 1.600 772 M HN 0.486 nan 8.290 nan 0.000 0.433 773 R N 3.202 123.677 120.500 -0.042 0.000 2.297 773 R HA 0.708 5.047 4.340 -0.001 0.000 0.308 773 R C -1.272 175.013 176.300 -0.025 0.000 1.029 773 R CA -0.672 55.393 56.100 -0.058 0.000 0.929 773 R CB 1.505 31.710 30.300 -0.158 0.000 1.046 773 R HN 0.519 nan 8.270 nan 0.000 0.461 774 V N 2.494 122.402 119.914 -0.010 0.000 2.709 774 V HA 0.203 4.322 4.120 -0.001 0.000 0.308 774 V C -0.150 175.954 176.094 0.017 0.000 1.062 774 V CA -1.191 61.113 62.300 0.007 0.000 0.901 774 V CB 1.945 33.774 31.823 0.010 0.000 1.003 774 V HN 0.748 nan 8.190 nan 0.000 0.425 775 N N 2.055 120.772 118.700 0.029 0.000 2.492 775 N HA -0.003 4.736 4.740 -0.001 0.000 0.260 775 N C 1.534 177.061 175.510 0.027 0.000 1.215 775 N CA 0.742 53.814 53.050 0.038 0.000 0.923 775 N CB 1.711 40.226 38.487 0.046 0.000 1.092 775 N HN 0.886 nan 8.380 nan 0.000 0.448 776 S N 4.317 120.034 115.700 0.027 0.000 2.380 776 S HA -0.211 4.258 4.470 -0.001 0.000 0.229 776 S C 2.044 176.655 174.600 0.019 0.000 1.043 776 S CA 1.070 59.283 58.200 0.022 0.000 1.038 776 S CB -0.491 62.722 63.200 0.021 0.000 0.872 776 S HN 0.676 nan 8.310 nan 0.000 0.456 777 I N 2.518 123.100 120.570 0.019 0.000 2.226 777 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 777 I C 2.231 178.356 176.117 0.014 0.000 1.100 777 I CA 1.733 63.041 61.300 0.015 0.000 1.374 777 I CB -0.512 37.495 38.000 0.011 0.000 1.057 777 I HN 0.296 nan 8.210 nan 0.000 0.413 778 D N 1.066 121.475 120.400 0.015 0.000 2.149 778 D HA -0.101 4.538 4.640 -0.001 0.000 0.201 778 D C 2.246 178.558 176.300 0.019 0.000 0.972 778 D CA 1.427 55.436 54.000 0.015 0.000 0.835 778 D CB -0.055 40.754 40.800 0.014 0.000 0.966 778 D HN 0.356 nan 8.370 nan 0.000 0.476 779 A N 1.469 124.301 122.820 0.020 0.000 1.873 779 A HA -0.186 4.134 4.320 -0.001 0.000 0.215 779 A C 2.153 179.751 177.584 0.022 0.000 1.186 779 A CA 1.328 53.379 52.037 0.022 0.000 0.616 779 A CB -0.418 18.594 19.000 0.020 0.000 0.823 779 A HN 0.047 nan 8.150 nan 0.000 0.442 780 E N 0.656 120.867 120.200 0.019 0.000 2.085 780 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 780 E C 2.104 178.715 176.600 0.019 0.000 0.994 780 E CA 1.461 57.872 56.400 0.018 0.000 0.801 780 E CB -0.400 29.309 29.700 0.015 0.000 0.743 780 E HN 0.456 nan 8.360 nan 0.000 0.453 781 A N 0.828 123.660 122.820 0.019 0.000 2.070 781 A HA -0.114 4.205 4.320 -0.001 0.000 0.220 781 A C 1.978 179.578 177.584 0.026 0.000 1.159 781 A CA 1.189 53.237 52.037 0.019 0.000 0.656 781 A CB -0.271 18.739 19.000 0.016 0.000 0.800 781 A HN 0.178 nan 8.150 nan 0.000 0.453 782 R N -1.646 118.872 120.500 0.031 0.000 2.509 782 R HA 0.289 4.628 4.340 -0.001 0.000 0.300 782 R C 0.990 177.314 176.300 0.040 0.000 0.985 782 R CA 0.382 56.507 56.100 0.041 0.000 1.092 782 R CB 0.187 30.516 30.300 0.049 0.000 1.237 782 R HN 0.531 nan 8.270 nan 0.000 0.546 783 G N 1.923 110.741 108.800 0.031 0.000 2.225 783 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.267 783 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.267 783 G C 0.117 175.036 174.900 0.030 0.000 1.024 783 G CA 0.176 45.293 45.100 0.028 0.000 0.784 783 G HN 0.294 nan 8.290 nan 0.000 0.507 784 I N -0.019 120.570 120.570 0.032 0.000 2.353 784 I HA 0.389 4.558 4.170 -0.001 0.000 0.293 784 I C 0.583 176.714 176.117 0.024 0.000 0.992 784 I CA -0.356 60.964 61.300 0.032 0.000 1.268 784 I CB 1.287 39.308 38.000 0.036 0.000 1.387 784 I HN -0.012 nan 8.210 nan 0.000 0.478 785 K N 4.475 124.888 120.400 0.022 0.000 2.281 785 K HA 0.303 4.623 4.320 -0.001 0.000 0.242 785 K C -0.300 176.310 176.600 0.016 0.000 0.971 785 K CA -0.947 55.350 56.287 0.017 0.000 0.834 785 K CB 1.615 34.124 32.500 0.015 0.000 1.181 785 K HN 0.524 nan 8.250 nan 0.000 0.435 786 N N 0.607 119.314 118.700 0.013 0.000 2.359 786 N HA -0.111 4.628 4.740 -0.001 0.000 0.261 786 N C 0.591 176.109 175.510 0.013 0.000 1.267 786 N CA 1.387 54.444 53.050 0.011 0.000 0.864 786 N CB 0.248 38.740 38.487 0.009 0.000 1.063 786 N HN 0.831 nan 8.380 nan 0.000 0.474 787 G N 2.665 111.472 108.800 0.013 0.000 2.258 787 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.233 787 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.233 787 G C -0.145 174.760 174.900 0.008 0.000 1.006 787 G CA -0.095 45.014 45.100 0.015 0.000 0.620 787 G HN 0.639 nan 8.290 nan 0.000 0.511 788 D N 0.721 121.128 120.400 0.010 0.000 2.400 788 D HA 0.396 5.035 4.640 -0.001 0.000 0.238 788 D C 1.063 177.361 176.300 -0.003 0.000 1.157 788 D CA 0.123 54.130 54.000 0.012 0.000 0.889 788 D CB 0.644 41.460 40.800 0.027 0.000 1.199 788 D HN 0.313 nan 8.370 nan 0.000 0.436 789 L N 2.308 123.532 121.223 0.002 0.000 2.290 789 L HA 0.400 4.739 4.340 -0.001 0.000 0.284 789 L C 0.486 177.413 176.870 0.096 0.000 1.078 789 L CA -0.509 54.319 54.840 -0.019 0.000 0.815 789 L CB 0.370 42.439 42.059 0.016 0.000 1.162 789 L HN 0.256 nan 8.230 nan 0.000 0.435 790 I N 0.744 121.343 120.570 0.049 0.000 2.957 790 I HA 0.629 4.798 4.170 -0.001 0.000 0.310 790 I C -0.598 175.534 176.117 0.025 0.000 1.063 790 I CA -1.065 60.287 61.300 0.086 0.000 1.033 790 I CB 2.216 40.252 38.000 0.059 0.000 1.230 790 I HN 0.575 nan 8.210 nan 0.000 0.447 791 R N 2.962 123.500 120.500 0.063 0.000 2.360 791 R HA 0.752 5.091 4.340 -0.001 0.000 0.318 791 R C -1.292 175.066 176.300 0.097 0.000 0.950 791 R CA -0.483 55.608 56.100 -0.015 0.000 0.837 791 R CB 1.629 31.906 30.300 -0.037 0.000 1.165 791 R HN 0.957 nan 8.270 nan 0.000 0.458 792 A N 4.833 127.671 122.820 0.029 0.000 2.290 792 A HA 0.549 4.868 4.320 -0.001 0.000 0.310 792 A C -1.348 176.254 177.584 0.031 0.000 1.202 792 A CA -0.521 51.520 52.037 0.005 0.000 0.837 792 A CB 0.367 19.339 19.000 -0.046 0.000 1.139 792 A HN 0.808 nan 8.150 nan 0.000 0.509 793 Y N 0.846 121.053 120.300 -0.156 0.000 2.638 793 Y HA 0.762 5.312 4.550 -0.001 0.000 0.335 793 Y C -0.635 175.033 175.900 -0.387 0.000 1.155 793 Y CA -1.030 56.943 58.100 -0.213 0.000 1.046 793 Y CB 1.160 39.536 38.460 -0.140 0.000 1.303 793 Y HN 0.801 nan 8.280 nan 0.000 0.460 794 N N -1.627 116.829 118.700 -0.407 0.000 3.517 794 N HA 0.205 4.944 4.740 -0.001 0.000 0.329 794 N C -0.702 174.650 175.510 -0.262 0.000 1.569 794 N CA -0.369 52.040 53.050 -1.067 0.000 0.852 794 N CB 0.057 37.881 38.487 -1.105 0.000 1.955 794 N HN 0.542 nan 8.380 nan 0.000 0.555 795 D N -0.514 119.812 120.400 -0.123 0.000 2.310 795 D HA -0.013 4.626 4.640 -0.001 0.000 0.212 795 D C 1.065 177.438 176.300 0.122 0.000 0.965 795 D CA 0.865 54.961 54.000 0.161 0.000 0.879 795 D CB 0.013 40.929 40.800 0.194 0.000 0.921 795 D HN 0.426 nan 8.370 nan 0.000 0.510 796 R N -0.212 120.263 120.500 -0.041 0.000 2.210 796 R HA 0.319 4.658 4.340 -0.001 0.000 0.203 796 R C 1.271 177.356 176.300 -0.358 0.000 1.010 796 R CA 0.563 56.597 56.100 -0.110 0.000 1.008 796 R CB 0.637 30.865 30.300 -0.119 0.000 0.923 796 R HN 0.094 nan 8.270 nan 0.000 0.469 797 G N -1.216 107.223 108.800 -0.602 0.000 2.333 797 G HA2 0.197 4.156 3.960 -0.001 0.000 0.288 797 G HA3 0.197 4.156 3.960 -0.001 0.000 0.288 797 G C -1.419 173.071 174.900 -0.684 0.000 1.286 797 G CA -0.753 43.537 45.100 -1.350 0.000 0.865 797 G HN -0.024 nan 8.290 nan 0.000 0.506 798 S N -1.486 113.923 115.700 -0.485 0.000 2.541 798 S HA 0.788 5.257 4.470 -0.001 0.000 0.280 798 S C -0.863 173.649 174.600 -0.147 0.000 1.112 798 S CA -0.522 57.589 58.200 -0.150 0.000 0.925 798 S CB 2.007 65.178 63.200 -0.048 0.000 1.067 798 S HN 1.131 nan 8.310 nan 0.000 0.479 799 V N 3.223 123.057 119.914 -0.134 0.000 2.686 799 V HA 0.510 4.629 4.120 -0.001 0.000 0.306 799 V C -1.188 174.806 176.094 -0.166 0.000 1.065 799 V CA -0.687 61.535 62.300 -0.130 0.000 0.894 799 V CB 1.705 33.470 31.823 -0.095 0.000 1.004 799 V HN 0.742 nan 8.190 nan 0.000 0.424 800 I N 5.800 126.234 120.570 -0.227 0.000 2.342 800 I HA 0.564 4.734 4.170 -0.001 0.000 0.291 800 I C -0.105 175.992 176.117 -0.034 0.000 1.010 800 I CA 0.309 61.419 61.300 -0.317 0.000 1.308 800 I CB 0.996 38.573 38.000 -0.705 0.000 1.400 800 I HN 0.422 nan 8.210 nan 0.000 0.488 801 L N 4.817 126.028 121.223 -0.020 0.000 2.341 801 L HA 0.886 5.225 4.340 -0.001 0.000 0.254 801 L C -0.291 176.593 176.870 0.024 0.000 1.040 801 L CA -1.083 53.820 54.840 0.104 0.000 0.837 801 L CB 1.705 43.834 42.059 0.117 0.000 1.425 801 L HN 0.560 nan 8.230 nan 0.000 0.414 802 A N 0.776 123.642 122.820 0.077 0.000 2.274 802 A HA 0.814 5.133 4.320 -0.001 0.000 0.309 802 A C -0.136 177.459 177.584 0.019 0.000 1.226 802 A CA -0.377 51.673 52.037 0.021 0.000 0.853 802 A CB 0.866 19.910 19.000 0.073 0.000 1.146 802 A HN 0.718 nan 8.150 nan 0.000 0.518 803 A N 2.243 125.068 122.820 0.009 0.000 2.363 803 A HA 0.559 4.878 4.320 -0.001 0.000 0.270 803 A C 0.108 177.694 177.584 0.004 0.000 1.121 803 A CA -0.261 51.781 52.037 0.009 0.000 0.800 803 A CB 0.302 19.311 19.000 0.015 0.000 1.052 803 A HN 0.856 nan 8.150 nan 0.000 0.493 804 Q N 2.671 122.468 119.800 -0.004 0.000 2.363 804 Q HA 0.487 4.826 4.340 -0.001 0.000 0.265 804 Q C -1.529 174.467 176.000 -0.006 0.000 1.032 804 Q CA -0.470 55.329 55.803 -0.007 0.000 0.746 804 Q CB 1.331 30.058 28.738 -0.019 0.000 1.237 804 Q HN 0.561 nan 8.270 nan 0.000 0.475 805 V N 3.481 123.396 119.914 0.002 0.000 2.508 805 V HA 0.364 4.483 4.120 -0.001 0.000 0.281 805 V C 0.372 176.469 176.094 0.005 0.000 1.041 805 V CA 0.252 62.556 62.300 0.006 0.000 1.016 805 V CB 1.187 33.016 31.823 0.010 0.000 0.984 805 V HN 0.828 nan 8.190 nan 0.000 0.478 806 T N 2.687 117.246 114.554 0.009 0.000 2.754 806 T HA 0.404 4.753 4.350 -0.001 0.000 0.296 806 T C 0.024 174.742 174.700 0.030 0.000 1.205 806 T CA -0.479 61.626 62.100 0.009 0.000 1.009 806 T CB 2.108 70.975 68.868 -0.003 0.000 1.368 806 T HN 0.630 nan 8.240 nan 0.000 0.509 807 E N 0.436 120.655 120.200 0.032 0.000 2.526 807 E HA 0.199 4.548 4.350 -0.001 0.000 0.208 807 E C 1.019 177.700 176.600 0.135 0.000 0.997 807 E CA 0.130 56.576 56.400 0.076 0.000 0.961 807 E CB 0.027 29.765 29.700 0.063 0.000 1.030 807 E HN 0.577 nan 8.360 nan 0.000 0.483 808 C N 1.419 120.747 119.300 0.047 0.000 2.460 808 C HA 0.280 4.739 4.460 -0.001 0.000 0.322 808 C C 0.713 175.857 174.990 0.256 0.000 1.333 808 C CA 0.023 59.008 59.018 -0.055 0.000 1.631 808 C CB -1.771 25.825 27.740 -0.240 0.000 1.672 808 C HN 0.131 nan 8.230 nan 0.000 0.596 809 L N -0.058 121.384 121.223 0.365 0.000 2.505 809 L HA 0.332 4.671 4.340 -0.001 0.000 0.259 809 L C -0.282 176.719 176.870 0.219 0.000 0.952 809 L CA -0.386 54.652 54.840 0.330 0.000 0.840 809 L CB 1.402 43.566 42.059 0.174 0.000 1.358 809 L HN 0.079 nan 8.230 nan 0.000 0.409 810 Q N 3.065 122.941 119.800 0.127 0.000 2.364 810 Q HA 0.238 4.577 4.340 -0.001 0.000 0.267 810 Q C -2.296 173.721 176.000 0.028 0.000 0.999 810 Q CA -1.325 54.490 55.803 0.019 0.000 0.886 810 Q CB 1.089 29.796 28.738 -0.052 0.000 1.243 810 Q HN 0.232 nan 8.270 nan 0.000 0.415 811 P HA -0.014 nan 4.420 nan 0.000 0.262 811 P C 0.018 177.317 177.300 -0.002 0.000 1.182 811 P CA 1.419 64.524 63.100 0.010 0.000 0.761 811 P CB 0.505 32.205 31.700 0.000 0.000 0.795 812 G N 1.470 110.272 108.800 0.003 0.000 2.195 812 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.224 812 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.224 812 G C 0.133 175.033 174.900 -0.001 0.000 0.990 812 G CA -0.137 44.960 45.100 -0.005 0.000 0.639 812 G HN 0.591 nan 8.290 nan 0.000 0.514 813 T N 1.029 115.592 114.554 0.014 0.000 2.823 813 T HA 0.685 5.034 4.350 -0.001 0.000 0.279 813 T C 0.137 174.855 174.700 0.031 0.000 0.998 813 T CA 0.134 62.248 62.100 0.024 0.000 0.994 813 T CB 2.449 71.347 68.868 0.049 0.000 0.960 813 T HN 1.371 nan 8.240 nan 0.000 0.448 814 V N 0.411 120.335 119.914 0.018 0.000 2.960 814 V HA 0.746 4.865 4.120 -0.001 0.000 0.315 814 V C -0.942 175.165 176.094 0.021 0.000 1.087 814 V CA -0.874 61.434 62.300 0.012 0.000 0.982 814 V CB 2.165 33.981 31.823 -0.010 0.000 1.039 814 V HN 0.969 nan 8.190 nan 0.000 0.437 815 H N 1.635 120.617 119.070 -0.147 0.000 2.771 815 H HA 0.738 5.293 4.556 -0.001 0.000 0.361 815 H C -1.659 173.513 175.328 -0.260 0.000 1.108 815 H CA 0.018 55.919 56.048 -0.244 0.000 1.201 815 H CB 2.176 31.675 29.762 -0.438 0.000 1.681 815 H HN 0.967 nan 8.280 nan 0.000 0.534 816 S N 5.019 120.425 115.700 -0.490 0.000 2.626 816 S HA 0.299 4.768 4.470 -0.001 0.000 0.275 816 S C -1.340 173.148 174.600 -0.186 0.000 1.175 816 S CA -0.521 57.554 58.200 -0.209 0.000 0.982 816 S CB 0.320 63.552 63.200 0.053 0.000 1.093 816 S HN 0.518 nan 8.310 nan 0.000 0.472 817 Y N 2.776 123.123 120.300 0.078 0.000 2.683 817 Y HA 0.134 4.683 4.550 -0.001 0.000 0.340 817 Y C 1.347 177.476 175.900 0.382 0.000 1.245 817 Y CA 0.207 58.432 58.100 0.208 0.000 1.485 817 Y CB 0.542 39.172 38.460 0.282 0.000 1.328 817 Y HN 0.766 nan 8.280 nan 0.000 0.603 818 E N -0.902 119.524 120.200 0.377 0.000 2.790 818 E HA 0.449 4.798 4.350 -0.001 0.000 0.256 818 E C -0.006 176.662 176.600 0.113 0.000 1.246 818 E CA -0.231 56.253 56.400 0.139 0.000 1.041 818 E CB 0.691 30.421 29.700 0.049 0.000 1.272 818 E HN 0.513 nan 8.360 nan 0.000 0.603 819 S N -2.343 113.322 115.700 -0.057 0.000 3.361 819 S HA -0.240 4.229 4.470 -0.001 0.000 0.288 819 S C 0.270 174.753 174.600 -0.196 0.000 1.269 819 S CA 0.514 58.672 58.200 -0.069 0.000 0.976 819 S CB -2.618 60.641 63.200 0.099 0.000 1.162 819 S HN 0.812 nan 8.310 nan 0.000 0.643 820 C N 2.166 121.150 119.300 -0.527 0.000 2.538 820 C HA 0.433 4.892 4.460 -0.001 0.000 0.408 820 C C 1.872 176.648 174.990 -0.357 0.000 1.421 820 C CA 0.480 59.021 59.018 -0.794 0.000 1.642 820 C CB -0.258 26.786 27.740 -1.159 0.000 2.553 820 C HN 0.805 nan 8.230 nan 0.000 0.604 821 A N 4.706 127.389 122.820 -0.229 0.000 2.195 821 A HA 0.321 4.640 4.320 -0.001 0.000 0.210 821 A C 0.613 178.117 177.584 -0.133 0.000 1.165 821 A CA 0.421 52.362 52.037 -0.159 0.000 0.806 821 A CB -0.044 18.868 19.000 -0.146 0.000 0.847 821 A HN 0.832 nan 8.150 nan 0.000 0.482 822 V N 0.472 120.305 119.914 -0.134 0.000 2.370 822 V HA 0.266 4.385 4.120 -0.001 0.000 0.279 822 V C -0.824 175.263 176.094 -0.011 0.000 1.029 822 V CA -0.522 61.733 62.300 -0.074 0.000 0.870 822 V CB 0.755 32.538 31.823 -0.066 0.000 0.984 822 V HN 0.378 nan 8.190 nan 0.000 0.451 823 Y N 4.265 124.493 120.300 -0.121 0.000 2.402 823 Y HA 0.604 5.153 4.550 -0.001 0.000 0.332 823 Y C -0.390 175.469 175.900 -0.067 0.000 0.960 823 Y CA -1.438 56.607 58.100 -0.092 0.000 1.228 823 Y CB 1.298 39.721 38.460 -0.062 0.000 1.120 823 Y HN 0.703 nan 8.280 nan 0.000 0.491 824 D N 8.858 128.994 120.400 -0.440 0.000 2.400 824 D HA 0.355 4.994 4.640 -0.001 0.000 0.272 824 D C -3.076 172.960 176.300 -0.440 0.000 1.220 824 D CA -2.309 51.465 54.000 -0.377 0.000 0.897 824 D CB 1.227 41.954 40.800 -0.122 0.000 1.134 824 D HN 0.221 nan 8.370 nan 0.000 0.507 825 P HA 0.107 nan 4.420 nan 0.000 0.268 825 P C 0.954 178.153 177.300 -0.167 0.000 1.204 825 P CA -0.162 62.718 63.100 -0.367 0.000 0.768 825 P CB 0.991 32.494 31.700 -0.328 0.000 0.842 826 L N 1.005 122.187 121.223 -0.068 0.000 2.418 826 L HA 0.174 4.513 4.340 -0.001 0.000 0.218 826 L C 1.485 178.374 176.870 0.030 0.000 1.125 826 L CA 0.903 55.745 54.840 0.002 0.000 0.835 826 L CB -0.402 41.707 42.059 0.084 0.000 0.953 826 L HN 0.553 nan 8.230 nan 0.000 0.454 827 G N -1.288 107.533 108.800 0.035 0.000 3.253 827 G HA2 0.230 4.189 3.960 -0.001 0.000 0.175 827 G HA3 0.230 4.189 3.960 -0.001 0.000 0.175 827 G C -0.716 174.212 174.900 0.047 0.000 1.098 827 G CA -0.208 44.920 45.100 0.048 0.000 0.790 827 G HN -0.139 nan 8.290 nan 0.000 0.648 828 T N 1.739 116.338 114.554 0.075 0.000 2.928 828 T HA 0.457 4.806 4.350 -0.001 0.000 0.305 828 T C 0.747 175.534 174.700 0.145 0.000 1.035 828 T CA 0.468 62.626 62.100 0.096 0.000 1.145 828 T CB 0.880 69.809 68.868 0.102 0.000 0.963 828 T HN 0.877 nan 8.240 nan 0.000 0.545 829 A N 2.591 125.517 122.820 0.177 0.000 2.546 829 A HA 0.486 4.805 4.320 -0.001 0.000 0.243 829 A C 1.679 179.476 177.584 0.354 0.000 1.063 829 A CA 0.168 52.403 52.037 0.330 0.000 0.757 829 A CB -0.852 18.409 19.000 0.434 0.000 0.991 829 A HN 1.655 nan 8.150 nan 0.000 0.503 830 G N 1.794 110.838 108.800 0.407 0.000 2.184 830 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.264 830 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.264 830 G C 0.613 175.648 174.900 0.225 0.000 0.975 830 G CA 1.023 46.278 45.100 0.258 0.000 0.642 830 G HN 0.858 nan 8.290 nan 0.000 0.536 831 K N -0.327 120.223 120.400 0.250 0.000 2.517 831 K HA 0.330 4.649 4.320 -0.001 0.000 0.210 831 K C 0.621 177.424 176.600 0.339 0.000 1.166 831 K CA 0.641 57.091 56.287 0.271 0.000 1.030 831 K CB 1.090 33.698 32.500 0.180 0.000 0.974 831 K HN 0.552 nan 8.250 nan 0.000 0.585 832 S N -0.378 115.514 115.700 0.320 0.000 2.697 832 S HA 0.734 5.203 4.470 -0.001 0.000 0.289 832 S C -0.375 174.391 174.600 0.277 0.000 1.149 832 S CA -1.072 57.320 58.200 0.321 0.000 0.850 832 S CB 1.650 64.960 63.200 0.184 0.000 1.151 832 S HN 0.087 nan 8.310 nan 0.000 0.491 833 A N 0.449 123.431 122.820 0.269 0.000 2.498 833 A HA 0.480 4.799 4.320 -0.001 0.000 0.239 833 A C -0.108 177.478 177.584 0.003 0.000 1.068 833 A CA 0.073 52.182 52.037 0.121 0.000 0.766 833 A CB -0.531 18.541 19.000 0.121 0.000 1.003 833 A HN 0.873 nan 8.150 nan 0.000 0.497 834 D N -0.410 119.957 120.400 -0.056 0.000 2.185 834 D HA 0.476 5.115 4.640 -0.001 0.000 0.247 834 D C 0.834 177.052 176.300 -0.137 0.000 1.027 834 D CA -0.611 53.330 54.000 -0.098 0.000 0.861 834 D CB 0.938 41.737 40.800 -0.001 0.000 1.202 834 D HN 0.509 nan 8.370 nan 0.000 0.453 835 R N 1.942 122.349 120.500 -0.155 0.000 2.508 835 R HA 0.328 4.667 4.340 -0.001 0.000 0.300 835 R C 1.255 177.558 176.300 0.004 0.000 0.970 835 R CA -0.250 55.780 56.100 -0.116 0.000 1.102 835 R CB 0.357 30.513 30.300 -0.240 0.000 1.246 835 R HN 0.387 nan 8.270 nan 0.000 0.539 836 G N 0.880 109.667 108.800 -0.021 0.000 2.403 836 G HA2 0.152 4.111 3.960 -0.001 0.000 0.216 836 G HA3 0.152 4.111 3.960 -0.001 0.000 0.216 836 G C 1.045 175.921 174.900 -0.041 0.000 1.154 836 G CA 0.691 45.801 45.100 0.016 0.000 0.784 836 G HN 0.588 nan 8.290 nan 0.000 0.538 837 G N -2.083 106.648 108.800 -0.115 0.000 2.147 837 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.128 837 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.128 837 G C 0.147 174.704 174.900 -0.572 0.000 1.026 837 G CA -0.165 44.755 45.100 -0.300 0.000 0.693 837 G HN 0.481 nan 8.290 nan 0.000 0.499 838 C N 2.443 121.559 119.300 -0.307 0.000 2.645 838 C HA 0.265 4.724 4.460 -0.001 0.000 0.451 838 C C 2.272 177.131 174.990 -0.217 0.000 1.018 838 C CA -0.521 58.332 59.018 -0.275 0.000 1.180 838 C CB -1.815 25.852 27.740 -0.122 0.000 1.563 838 C HN 0.471 nan 8.230 nan 0.000 0.551 839 I N 2.486 122.907 120.570 -0.248 0.000 2.423 839 I HA -0.139 4.030 4.170 -0.001 0.000 0.254 839 I C 2.075 178.114 176.117 -0.130 0.000 1.151 839 I CA 1.443 62.657 61.300 -0.143 0.000 1.421 839 I CB -0.628 37.329 38.000 -0.073 0.000 1.079 839 I HN 0.604 nan 8.210 nan 0.000 0.431 840 N N 0.859 119.470 118.700 -0.147 0.000 2.609 840 N HA -0.041 4.698 4.740 -0.001 0.000 0.190 840 N C 1.741 177.175 175.510 -0.127 0.000 1.157 840 N CA 0.465 53.437 53.050 -0.130 0.000 0.918 840 N CB -0.031 38.365 38.487 -0.150 0.000 0.978 840 N HN 0.431 nan 8.380 nan 0.000 0.448 841 I N 0.040 120.529 120.570 -0.135 0.000 2.546 841 I HA -0.165 4.004 4.170 -0.001 0.000 0.255 841 I C 1.487 177.516 176.117 -0.146 0.000 1.163 841 I CA 0.779 61.998 61.300 -0.136 0.000 1.457 841 I CB 0.146 38.063 38.000 -0.139 0.000 1.092 841 I HN 0.086 nan 8.210 nan 0.000 0.434 842 L N -0.195 120.943 121.223 -0.140 0.000 2.529 842 L HA 0.064 4.403 4.340 -0.001 0.000 0.223 842 L C 1.185 177.991 176.870 -0.106 0.000 1.113 842 L CA -0.030 54.723 54.840 -0.145 0.000 0.861 842 L CB -0.636 41.330 42.059 -0.155 0.000 1.012 842 L HN 0.253 nan 8.230 nan 0.000 0.461 843 T N -1.205 113.301 114.554 -0.080 0.000 2.918 843 T HA 0.240 4.589 4.350 -0.001 0.000 0.302 843 T C -2.411 172.287 174.700 -0.005 0.000 1.045 843 T CA -1.709 60.367 62.100 -0.041 0.000 1.114 843 T CB 0.735 69.579 68.868 -0.040 0.000 0.965 843 T HN -0.108 nan 8.240 nan 0.000 0.540 844 P HA 0.182 nan 4.420 nan 0.000 0.271 844 P C -0.084 177.279 177.300 0.105 0.000 1.220 844 P CA -0.210 62.970 63.100 0.134 0.000 0.768 844 P CB 0.736 32.652 31.700 0.359 0.000 0.848 845 D N 2.281 122.691 120.400 0.017 0.000 2.339 845 D HA -0.021 4.618 4.640 -0.001 0.000 0.217 845 D C 0.783 177.008 176.300 -0.124 0.000 1.050 845 D CA 0.015 53.979 54.000 -0.060 0.000 0.856 845 D CB -0.227 40.498 40.800 -0.126 0.000 0.922 845 D HN 0.320 nan 8.370 nan 0.000 0.518 846 R N 0.487 120.937 120.500 -0.084 0.000 2.537 846 R HA 0.043 4.382 4.340 -0.001 0.000 0.280 846 R C -0.406 175.901 176.300 0.011 0.000 1.058 846 R CA -0.352 55.613 56.100 -0.224 0.000 1.057 846 R CB 0.183 30.117 30.300 -0.609 0.000 0.973 846 R HN 0.030 nan 8.270 nan 0.000 0.438 847 Y N 3.578 123.847 120.300 -0.051 0.000 2.550 847 Y HA -0.118 4.431 4.550 -0.001 0.000 0.343 847 Y C 1.962 177.948 175.900 0.143 0.000 1.245 847 Y CA -0.521 57.582 58.100 0.005 0.000 1.462 847 Y CB 0.572 38.990 38.460 -0.069 0.000 1.340 847 Y HN 0.579 nan 8.280 nan 0.000 0.604 848 I N 0.724 121.493 120.570 0.331 0.000 2.194 848 I HA -0.285 3.885 4.170 -0.001 0.000 0.246 848 I C 1.049 177.399 176.117 0.388 0.000 1.093 848 I CA 1.666 63.186 61.300 0.366 0.000 1.355 848 I CB -0.389 37.695 38.000 0.140 0.000 1.046 848 I HN 0.554 nan 8.210 nan 0.000 0.413 849 S N -1.325 114.473 115.700 0.164 0.000 2.720 849 S HA 0.284 4.754 4.470 -0.001 0.000 0.287 849 S C 0.484 175.088 174.600 0.006 0.000 1.168 849 S CA -0.874 57.406 58.200 0.134 0.000 0.832 849 S CB 1.969 65.287 63.200 0.197 0.000 1.166 849 S HN 0.058 nan 8.310 nan 0.000 0.493 850 K N -0.612 119.756 120.400 -0.052 0.000 2.063 850 K HA -0.072 4.247 4.320 -0.001 0.000 0.208 850 K C 0.732 177.089 176.600 -0.404 0.000 1.048 850 K CA 1.825 57.944 56.287 -0.279 0.000 0.928 850 K CB -0.321 31.904 32.500 -0.459 0.000 0.713 850 K HN 0.709 nan 8.250 nan 0.000 0.442 851 Y N -1.120 119.252 120.300 0.120 0.000 2.445 851 Y HA 0.363 4.912 4.550 -0.001 0.000 0.247 851 Y C 0.295 176.140 175.900 -0.092 0.000 1.129 851 Y CA -0.297 57.874 58.100 0.120 0.000 1.251 851 Y CB 0.707 39.396 38.460 0.381 0.000 1.176 851 Y HN -0.031 nan 8.280 nan 0.000 0.522 852 A N -0.032 122.722 122.820 -0.110 0.000 2.807 852 A HA 0.307 4.626 4.320 -0.001 0.000 0.307 852 A C -0.031 176.837 177.584 -1.193 0.000 1.532 852 A CA -0.384 51.326 52.037 -0.546 0.000 1.215 852 A CB -1.208 17.718 19.000 -0.122 0.000 1.127 852 A HN 0.469 nan 8.150 nan 0.000 0.543 853 C N 2.917 121.107 119.300 -1.849 0.000 3.506 853 C HA 0.441 4.901 4.460 -0.001 0.000 0.578 853 C C 1.451 175.740 174.990 -1.167 0.000 1.153 853 C CA -0.101 57.789 59.018 -1.880 0.000 1.248 853 C CB -2.009 24.922 27.740 -1.349 0.000 1.532 853 C HN 0.847 nan 8.230 nan 0.000 0.646 854 G N 0.860 109.170 108.800 -0.818 0.000 2.568 854 G HA2 0.683 4.643 3.960 -0.001 0.000 0.313 854 G HA3 0.683 4.643 3.960 -0.001 0.000 0.313 854 G C -0.420 174.567 174.900 0.146 0.000 1.227 854 G CA -0.835 44.206 45.100 -0.098 0.000 0.979 854 G HN 0.527 nan 8.290 nan 0.000 0.486 855 M N 0.247 119.962 119.600 0.191 0.000 2.211 855 M HA 0.651 5.130 4.480 -0.001 0.000 0.356 855 M C 0.203 176.585 176.300 0.136 0.000 1.216 855 M CA -0.472 54.926 55.300 0.163 0.000 1.134 855 M CB 1.849 34.512 32.600 0.106 0.000 1.564 855 M HN 0.424 nan 8.290 nan 0.000 0.463 856 A N 2.913 125.814 122.820 0.135 0.000 2.713 856 A HA 0.267 4.586 4.320 -0.001 0.000 0.296 856 A C 0.577 178.157 177.584 -0.007 0.000 1.255 856 A CA -0.613 51.454 52.037 0.050 0.000 0.955 856 A CB -0.757 18.264 19.000 0.034 0.000 1.149 856 A HN 1.017 nan 8.150 nan 0.000 0.538 857 N N 1.519 120.231 118.700 0.021 0.000 2.069 857 N HA -0.195 4.545 4.740 -0.001 0.000 0.196 857 N C 0.935 176.431 175.510 -0.024 0.000 1.024 857 N CA 1.742 54.791 53.050 -0.001 0.000 0.869 857 N CB -0.276 38.212 38.487 0.001 0.000 1.035 857 N HN 0.455 nan 8.380 nan 0.000 0.434 858 N N 0.066 118.756 118.700 -0.017 0.000 2.567 858 N HA -0.027 4.712 4.740 -0.001 0.000 0.195 858 N C -0.399 175.087 175.510 -0.040 0.000 1.242 858 N CA 0.622 53.661 53.050 -0.019 0.000 0.884 858 N CB -0.203 38.287 38.487 0.004 0.000 1.007 858 N HN 0.398 nan 8.380 nan 0.000 0.450 859 T N -1.973 112.532 114.554 -0.081 0.000 3.009 859 T HA 0.733 5.082 4.350 -0.001 0.000 0.346 859 T C -0.563 174.076 174.700 -0.102 0.000 1.092 859 T CA -0.925 61.103 62.100 -0.119 0.000 1.080 859 T CB 1.468 70.208 68.868 -0.214 0.000 1.037 859 T HN 0.071 nan 8.240 nan 0.000 0.487 860 A N 4.091 126.873 122.820 -0.064 0.000 2.398 860 A HA 0.777 5.096 4.320 -0.001 0.000 0.301 860 A C -0.644 176.918 177.584 -0.038 0.000 1.041 860 A CA -0.928 51.083 52.037 -0.043 0.000 0.711 860 A CB 1.229 20.196 19.000 -0.056 0.000 1.240 860 A HN 0.863 nan 8.150 nan 0.000 0.420 861 L N 2.965 124.182 121.223 -0.009 0.000 2.292 861 L HA 0.696 5.035 4.340 -0.001 0.000 0.284 861 L C 0.081 176.917 176.870 -0.057 0.000 1.065 861 L CA -0.629 54.220 54.840 0.015 0.000 0.806 861 L CB 1.381 43.504 42.059 0.106 0.000 1.175 861 L HN 0.708 nan 8.230 nan 0.000 0.431 862 V N 0.019 119.892 119.914 -0.068 0.000 3.182 862 V HA 0.780 4.899 4.120 -0.001 0.000 0.308 862 V C -1.285 174.728 176.094 -0.134 0.000 1.240 862 V CA -0.729 61.444 62.300 -0.213 0.000 1.063 862 V CB 2.261 33.951 31.823 -0.223 0.000 1.076 862 V HN 0.693 nan 8.190 nan 0.000 0.446 863 E N 0.557 120.553 120.200 -0.339 0.000 2.343 863 E HA 0.804 5.153 4.350 -0.001 0.000 0.270 863 E C -1.089 175.321 176.600 -0.318 0.000 0.895 863 E CA -0.489 55.742 56.400 -0.283 0.000 0.767 863 E CB 1.948 31.456 29.700 -0.319 0.000 1.248 863 E HN 1.114 nan 8.360 nan 0.000 0.440 864 I N -0.612 119.918 120.570 -0.066 0.000 2.934 864 I HA 0.818 4.987 4.170 -0.001 0.000 0.306 864 I C -1.097 175.106 176.117 0.144 0.000 1.110 864 I CA -0.906 60.425 61.300 0.052 0.000 1.019 864 I CB 2.334 40.348 38.000 0.024 0.000 1.227 864 I HN 0.651 nan 8.210 nan 0.000 0.434 865 E N 2.108 122.414 120.200 0.177 0.000 2.401 865 E HA 0.390 4.739 4.350 -0.001 0.000 0.280 865 E C -1.752 174.941 176.600 0.156 0.000 1.039 865 E CA -1.258 55.242 56.400 0.166 0.000 0.814 865 E CB 1.447 31.274 29.700 0.211 0.000 1.275 865 E HN 0.528 nan 8.360 nan 0.000 0.448 866 K N 0.909 121.389 120.400 0.134 0.000 2.448 866 K HA 0.011 4.330 4.320 -0.001 0.000 0.278 866 K C -0.683 176.050 176.600 0.222 0.000 1.009 866 K CA -0.140 56.232 56.287 0.142 0.000 0.995 866 K CB 0.437 32.993 32.500 0.094 0.000 0.917 866 K HN 0.469 nan 8.250 nan 0.000 0.481 867 W N 4.961 126.275 121.300 0.024 0.000 2.304 867 W HA 0.012 4.671 4.660 -0.001 0.000 0.313 867 W C 0.424 176.978 176.519 0.058 0.000 1.323 867 W CA -0.711 56.662 57.345 0.046 0.000 1.223 867 W CB 0.322 29.796 29.460 0.024 0.000 1.237 867 W HN 0.662 nan 8.180 nan 0.000 0.535 868 D N 2.665 123.038 120.400 -0.046 0.000 2.340 868 D HA 0.130 4.769 4.640 -0.001 0.000 0.220 868 D C 1.643 177.584 176.300 -0.597 0.000 1.039 868 D CA 0.631 54.493 54.000 -0.230 0.000 0.866 868 D CB -0.152 40.626 40.800 -0.036 0.000 0.913 868 D HN 0.725 nan 8.370 nan 0.000 0.523 869 G N 0.077 107.979 108.800 -1.497 0.000 2.194 869 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.236 869 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.236 869 G C -0.044 174.585 174.900 -0.451 0.000 0.987 869 G CA 0.066 44.246 45.100 -1.533 0.000 0.635 869 G HN 0.584 nan 8.290 nan 0.000 0.520 870 D N 0.715 121.084 120.400 -0.052 0.000 2.357 870 D HA 0.428 5.067 4.640 -0.001 0.000 0.242 870 D C 1.772 178.301 176.300 0.381 0.000 1.153 870 D CA 0.295 54.302 54.000 0.013 0.000 0.918 870 D CB 0.604 41.133 40.800 -0.452 0.000 1.181 870 D HN 0.459 nan 8.370 nan 0.000 0.435 871 K N 1.285 121.784 120.400 0.166 0.000 2.393 871 K HA -0.007 4.312 4.320 -0.001 0.000 0.193 871 K C -0.136 176.645 176.600 0.301 0.000 1.026 871 K CA -0.192 56.253 56.287 0.264 0.000 1.064 871 K CB -0.212 32.373 32.500 0.143 0.000 0.833 871 K HN 0.442 nan 8.250 nan 0.000 0.521 872 Y N 1.951 122.325 120.300 0.125 0.000 2.983 872 Y HA -0.222 4.327 4.550 -0.001 0.000 0.185 872 Y C -0.389 175.531 175.900 0.033 0.000 1.476 872 Y CA 0.627 58.767 58.100 0.067 0.000 0.866 872 Y CB -1.842 36.697 38.460 0.131 0.000 1.331 872 Y HN 0.417 nan 8.280 nan 0.000 0.403 873 E N 2.769 122.996 120.200 0.045 0.000 1.964 873 E HA 0.359 4.708 4.350 -0.001 0.000 0.264 873 E C 0.815 177.369 176.600 -0.077 0.000 1.120 873 E CA 0.037 56.459 56.400 0.036 0.000 1.061 873 E CB -0.250 29.471 29.700 0.033 0.000 1.190 873 E HN 0.629 nan 8.360 nan 0.000 0.459 874 I N -0.807 119.599 120.570 -0.272 0.000 4.160 874 I HA 0.289 4.459 4.170 -0.001 0.000 0.325 874 I C -0.779 175.024 176.117 -0.522 0.000 1.455 874 I CA -0.675 60.387 61.300 -0.397 0.000 1.142 874 I CB 0.072 37.807 38.000 -0.442 0.000 1.262 874 I HN 0.078 nan 8.210 nan 0.000 0.483 875 Y N 0.000 120.349 120.300 0.081 0.000 2.660 875 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 875 Y CA 0.000 58.141 58.100 0.069 0.000 1.940 875 Y CB 0.000 38.503 38.460 0.071 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758