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 1vlf_1_S DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.019 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 G N -0.937 107.875 108.800 0.021 0.000 2.749 2 G HA2 0.776 4.727 3.960 -0.015 0.000 0.300 2 G HA3 0.776 4.727 3.960 -0.015 0.000 0.300 2 G C -1.352 173.562 174.900 0.024 0.000 1.352 2 G CA -0.551 44.562 45.100 0.023 0.000 0.789 2 G HN -0.067 nan 8.290 nan 0.000 0.509 3 E N -0.709 119.506 120.200 0.025 0.000 2.254 3 E HA 0.500 4.842 4.350 -0.015 0.000 0.261 3 E C -0.234 176.388 176.600 0.036 0.000 1.051 3 E CA -0.658 55.759 56.400 0.027 0.000 0.902 3 E CB 2.131 31.843 29.700 0.021 0.000 1.168 3 E HN 0.178 nan 8.360 nan 0.000 0.423 4 V N 1.448 121.391 119.914 0.047 0.000 2.530 4 V HA 0.169 4.280 4.120 -0.015 0.000 0.282 4 V C 0.170 176.293 176.094 0.049 0.000 1.048 4 V CA -0.381 61.963 62.300 0.073 0.000 0.997 4 V CB 1.248 33.141 31.823 0.116 0.000 0.987 4 V HN 0.297 nan 8.190 nan 0.000 0.477 5 V N 5.526 125.456 119.914 0.027 0.000 2.680 5 V HA 0.501 4.612 4.120 -0.015 0.000 0.309 5 V C 0.094 176.101 176.094 -0.145 0.000 1.052 5 V CA -0.915 61.359 62.300 -0.042 0.000 0.908 5 V CB 2.004 33.811 31.823 -0.027 0.000 1.001 5 V HN 0.837 nan 8.190 nan 0.000 0.431 6 R N 4.147 124.477 120.500 -0.282 0.000 2.198 6 R HA 0.643 4.975 4.340 -0.015 0.000 0.339 6 R C -1.211 174.907 176.300 -0.303 0.000 1.020 6 R CA -0.291 55.486 56.100 -0.539 0.000 0.864 6 R CB 0.473 30.297 30.300 -0.793 0.000 1.105 6 R HN 0.675 nan 8.270 nan 0.000 0.463 7 L N 1.994 123.102 121.223 -0.192 0.000 2.299 7 L HA 0.593 4.924 4.340 -0.015 0.000 0.268 7 L C 0.301 177.188 176.870 0.027 0.000 1.012 7 L CA -1.021 53.771 54.840 -0.080 0.000 0.816 7 L CB 2.149 44.169 42.059 -0.065 0.000 1.355 7 L HN 0.652 nan 8.230 nan 0.000 0.457 8 T N -2.037 112.527 114.554 0.016 0.000 2.908 8 T HA 0.598 4.939 4.350 -0.015 0.000 0.290 8 T C -0.615 174.047 174.700 -0.063 0.000 1.034 8 T CA -0.715 61.408 62.100 0.037 0.000 1.010 8 T CB 2.372 71.278 68.868 0.062 0.000 1.068 8 T HN 0.562 nan 8.240 nan 0.000 0.481 9 N N -0.438 118.200 118.700 -0.103 0.000 3.339 9 N HA 0.530 5.261 4.740 -0.015 0.000 0.275 9 N C -1.562 173.828 175.510 -0.199 0.000 1.514 9 N CA -0.434 52.476 53.050 -0.233 0.000 0.879 9 N CB 1.931 40.088 38.487 -0.550 0.000 1.557 9 N HN 0.752 nan 8.380 nan 0.000 0.524 10 S N -1.113 114.450 115.700 -0.229 0.000 2.819 10 S HA 0.884 5.345 4.470 -0.015 0.000 0.299 10 S C -1.513 173.012 174.600 -0.125 0.000 1.192 10 S CA 0.110 58.240 58.200 -0.116 0.000 0.847 10 S CB 0.735 63.999 63.200 0.106 0.000 1.224 10 S HN 0.957 nan 8.310 nan 0.000 0.537 11 S N -0.681 114.902 115.700 -0.195 0.000 2.656 11 S HA 0.296 4.758 4.470 -0.015 0.000 0.265 11 S C 0.409 174.733 174.600 -0.460 0.000 1.132 11 S CA 0.187 58.286 58.200 -0.169 0.000 0.819 11 S CB 0.237 63.338 63.200 -0.164 0.000 1.119 11 S HN 1.122 nan 8.310 nan 0.000 0.476 12 T N -2.033 112.429 114.554 -0.153 0.000 3.163 12 T HA 0.246 4.587 4.350 -0.015 0.000 0.260 12 T C 1.280 176.053 174.700 0.122 0.000 1.156 12 T CA 1.025 63.075 62.100 -0.083 0.000 1.072 12 T CB -0.701 68.340 68.868 0.289 0.000 0.937 12 T HN 1.251 nan 8.240 nan 0.000 0.528 13 G N -0.215 108.616 108.800 0.051 0.000 3.519 13 G HA2 0.577 4.528 3.960 -0.015 0.000 0.269 13 G HA3 0.577 4.528 3.960 -0.015 0.000 0.269 13 G C 0.545 175.348 174.900 -0.162 0.000 1.028 13 G CA -0.111 44.977 45.100 -0.020 0.000 0.809 13 G HN 0.975 nan 8.290 nan 0.000 0.521 14 G N -0.348 108.301 108.800 -0.252 0.000 2.515 14 G HA2 0.121 4.072 3.960 -0.015 0.000 0.686 14 G HA3 0.121 4.072 3.960 -0.015 0.000 0.686 14 G C -3.423 171.150 174.900 -0.544 0.000 1.274 14 G CA -0.994 43.806 45.100 -0.500 0.000 0.874 14 G HN 0.115 nan 8.290 nan 0.000 0.631 15 P HA 0.538 nan 4.420 nan 0.000 0.275 15 P C 0.055 177.115 177.300 -0.400 0.000 1.228 15 P CA -0.235 62.577 63.100 -0.480 0.000 0.786 15 P CB 1.464 32.855 31.700 -0.516 0.000 0.927 16 V N -1.095 118.650 119.914 -0.282 0.000 3.114 16 V HA 0.574 4.685 4.120 -0.015 0.000 0.308 16 V C -1.117 174.888 176.094 -0.148 0.000 1.168 16 V CA -1.082 61.101 62.300 -0.195 0.000 1.015 16 V CB 1.880 33.710 31.823 0.011 0.000 1.050 16 V HN 0.285 nan 8.190 nan 0.000 0.433 17 F N 1.132 121.064 119.950 -0.030 0.000 2.408 17 F HA 0.722 5.241 4.527 -0.015 0.000 0.344 17 F C -0.021 175.799 175.800 0.033 0.000 1.112 17 F CA -0.924 57.036 58.000 -0.067 0.000 1.096 17 F CB 2.145 41.104 39.000 -0.069 0.000 1.129 17 F HN 0.367 nan 8.300 nan 0.000 0.486 18 V N 4.651 124.675 119.914 0.183 0.000 2.378 18 V HA 0.212 4.323 4.120 -0.015 0.000 0.288 18 V C -0.921 175.214 176.094 0.067 0.000 1.016 18 V CA -0.995 61.428 62.300 0.205 0.000 0.840 18 V CB 0.873 32.838 31.823 0.236 0.000 0.994 18 V HN 0.444 nan 8.190 nan 0.000 0.431 19 Y N 3.778 124.133 120.300 0.091 0.000 2.383 19 Y HA 0.563 5.104 4.550 -0.015 0.000 0.344 19 Y C 0.258 176.195 175.900 0.062 0.000 0.986 19 Y CA -0.520 57.611 58.100 0.052 0.000 1.175 19 Y CB 1.343 39.824 38.460 0.034 0.000 1.152 19 Y HN 0.384 nan 8.280 nan 0.000 0.511 20 V N 4.262 124.263 119.914 0.145 0.000 2.769 20 V HA 0.560 4.671 4.120 -0.015 0.000 0.312 20 V C -0.548 175.604 176.094 0.096 0.000 1.061 20 V CA -1.406 60.966 62.300 0.120 0.000 0.931 20 V CB 2.131 34.007 31.823 0.088 0.000 1.010 20 V HN 0.640 nan 8.190 nan 0.000 0.433 21 K N 2.201 122.654 120.400 0.088 0.000 2.553 21 K HA 0.340 4.651 4.320 -0.015 0.000 0.250 21 K C -1.023 175.610 176.600 0.055 0.000 0.953 21 K CA -0.509 55.817 56.287 0.065 0.000 0.800 21 K CB 1.427 33.964 32.500 0.061 0.000 1.243 21 K HN 0.744 nan 8.250 nan 0.000 0.435 22 D N 3.388 123.816 120.400 0.046 0.000 2.686 22 D HA -0.192 4.439 4.640 -0.015 0.000 0.235 22 D C 0.615 176.943 176.300 0.046 0.000 1.160 22 D CA 1.905 55.929 54.000 0.040 0.000 0.645 22 D CB -1.091 39.725 40.800 0.028 0.000 1.039 22 D HN 1.117 nan 8.370 nan 0.000 0.423 23 G N -0.081 108.754 108.800 0.059 0.000 2.155 23 G HA2 -0.371 3.580 3.960 -0.015 0.000 0.257 23 G HA3 -0.371 3.580 3.960 -0.015 0.000 0.257 23 G C 0.275 175.234 174.900 0.099 0.000 0.983 23 G CA 0.971 46.114 45.100 0.073 0.000 0.676 23 G HN 0.655 nan 8.290 nan 0.000 0.528 24 K N 0.025 120.484 120.400 0.100 0.000 2.378 24 K HA 0.665 4.976 4.320 -0.015 0.000 0.252 24 K C 0.163 176.869 176.600 0.177 0.000 0.931 24 K CA -1.244 55.126 56.287 0.138 0.000 0.794 24 K CB 1.057 33.581 32.500 0.041 0.000 1.181 24 K HN 0.102 nan 8.250 nan 0.000 0.425 25 I N 6.095 126.834 120.570 0.283 0.000 2.471 25 I HA 0.020 4.181 4.170 -0.015 0.000 0.286 25 I C 1.188 177.431 176.117 0.210 0.000 1.079 25 I CA 0.005 61.446 61.300 0.234 0.000 1.398 25 I CB 0.736 38.855 38.000 0.198 0.000 1.403 25 I HN 0.682 nan 8.210 nan 0.000 0.530 26 I N 5.714 126.387 120.570 0.172 0.000 2.628 26 I HA 0.049 4.210 4.170 -0.015 0.000 0.255 26 I C 0.909 177.093 176.117 0.111 0.000 1.119 26 I CA 0.509 61.884 61.300 0.125 0.000 1.448 26 I CB 0.053 38.114 38.000 0.103 0.000 1.133 26 I HN 0.662 nan 8.210 nan 0.000 0.438 27 R N 0.413 121.000 120.500 0.146 0.000 2.712 27 R HA 0.613 4.944 4.340 -0.015 0.000 0.272 27 R C -1.765 174.659 176.300 0.207 0.000 1.032 27 R CA -0.814 55.358 56.100 0.119 0.000 0.874 27 R CB 1.350 31.651 30.300 0.001 0.000 1.256 27 R HN -0.129 nan 8.270 nan 0.000 0.468 28 M N 1.533 121.234 119.600 0.168 0.000 2.327 28 M HA 0.446 4.917 4.480 -0.015 0.000 0.298 28 M C -0.950 175.446 176.300 0.161 0.000 1.065 28 M CA -0.807 54.614 55.300 0.202 0.000 0.916 28 M CB 2.653 35.340 32.600 0.145 0.000 1.630 28 M HN 0.968 nan 8.290 nan 0.000 0.442 29 T N 0.073 114.746 114.554 0.198 0.000 2.865 29 T HA 0.768 5.109 4.350 -0.015 0.000 0.294 29 T C -3.078 171.650 174.700 0.046 0.000 1.119 29 T CA -1.984 60.193 62.100 0.129 0.000 1.007 29 T CB 2.143 71.122 68.868 0.185 0.000 1.225 29 T HN 0.247 nan 8.240 nan 0.000 0.515 30 P HA 0.336 nan 4.420 nan 0.000 0.273 30 P C -0.621 176.558 177.300 -0.201 0.000 1.250 30 P CA -0.503 62.517 63.100 -0.133 0.000 0.793 30 P CB 0.300 31.942 31.700 -0.097 0.000 1.011 31 M N 1.216 120.562 119.600 -0.423 0.000 2.157 31 M HA 0.237 4.708 4.480 -0.015 0.000 0.354 31 M C -0.201 175.871 176.300 -0.380 0.000 1.170 31 M CA -0.269 54.633 55.300 -0.662 0.000 1.060 31 M CB 0.752 32.720 32.600 -1.053 0.000 1.615 31 M HN 0.167 nan 8.290 nan 0.000 0.460 32 D N 3.197 123.580 120.400 -0.028 0.000 2.210 32 D HA 0.364 4.995 4.640 -0.015 0.000 0.249 32 D C -0.775 175.617 176.300 0.154 0.000 1.078 32 D CA 0.126 54.115 54.000 -0.017 0.000 0.875 32 D CB 1.121 41.986 40.800 0.109 0.000 1.175 32 D HN 0.404 nan 8.370 nan 0.000 0.440 33 F N 0.697 120.655 119.950 0.014 0.000 2.375 33 F HA 0.080 4.598 4.527 -0.015 0.000 0.333 33 F C 1.210 177.062 175.800 0.087 0.000 1.104 33 F CA -0.819 57.209 58.000 0.047 0.000 1.149 33 F CB 1.178 40.145 39.000 -0.055 0.000 1.190 33 F HN 0.095 nan 8.300 nan 0.000 0.533 34 D N 2.694 123.292 120.400 0.330 0.000 2.443 34 D HA 0.076 4.708 4.640 -0.015 0.000 0.221 34 D C 0.315 176.685 176.300 0.116 0.000 1.097 34 D CA -0.376 53.738 54.000 0.189 0.000 0.865 34 D CB 0.639 41.542 40.800 0.172 0.000 1.034 34 D HN 0.400 nan 8.370 nan 0.000 0.511 35 D N 2.749 123.205 120.400 0.095 0.000 2.384 35 D HA -0.099 4.532 4.640 -0.015 0.000 0.222 35 D C 1.563 177.881 176.300 0.030 0.000 0.976 35 D CA 0.470 54.502 54.000 0.053 0.000 0.915 35 D CB 0.219 41.050 40.800 0.052 0.000 0.896 35 D HN 0.543 nan 8.370 nan 0.000 0.523 36 A N 0.196 123.037 122.820 0.035 0.000 2.016 36 A HA 0.004 4.315 4.320 -0.015 0.000 0.217 36 A C 2.100 179.692 177.584 0.013 0.000 1.162 36 A CA 1.190 53.241 52.037 0.023 0.000 0.662 36 A CB 0.128 19.144 19.000 0.026 0.000 0.812 36 A HN 0.240 nan 8.150 nan 0.000 0.450 37 V N -4.562 115.357 119.914 0.008 0.000 3.485 37 V HA 0.268 4.380 4.120 -0.015 0.000 0.280 37 V C -0.731 175.331 176.094 -0.054 0.000 1.495 37 V CA -0.282 62.011 62.300 -0.012 0.000 1.018 37 V CB 0.080 31.893 31.823 -0.016 0.000 0.818 37 V HN 0.153 nan 8.190 nan 0.000 0.436 38 D N 2.893 123.248 120.400 -0.075 0.000 2.280 38 D HA 0.669 5.300 4.640 -0.015 0.000 0.236 38 D C 0.562 176.741 176.300 -0.203 0.000 1.082 38 D CA 0.486 54.366 54.000 -0.200 0.000 0.834 38 D CB 1.963 42.610 40.800 -0.255 0.000 1.100 38 D HN 0.523 nan 8.370 nan 0.000 0.486 39 A N 4.003 126.666 122.820 -0.263 0.000 2.586 39 A HA 0.207 4.518 4.320 -0.015 0.000 0.231 39 A C -2.011 175.490 177.584 -0.138 0.000 1.055 39 A CA -0.485 51.436 52.037 -0.193 0.000 0.756 39 A CB -0.455 18.388 19.000 -0.262 0.000 0.988 39 A HN 0.331 nan 8.150 nan 0.000 0.509 40 P HA 0.182 nan 4.420 nan 0.000 0.269 40 P C -0.190 177.124 177.300 0.024 0.000 1.215 40 P CA 0.006 63.101 63.100 -0.007 0.000 0.780 40 P CB 0.617 32.321 31.700 0.006 0.000 0.898 41 S N 1.245 116.974 115.700 0.048 0.000 2.632 41 S HA 0.303 4.764 4.470 -0.015 0.000 0.267 41 S C 0.089 174.662 174.600 -0.046 0.000 1.276 41 S CA -0.723 57.486 58.200 0.015 0.000 0.998 41 S CB 0.195 63.370 63.200 -0.042 0.000 0.953 41 S HN 0.483 nan 8.310 nan 0.000 0.547 42 W N 0.616 121.954 121.300 0.064 0.000 2.034 42 W HA 0.529 5.180 4.660 -0.015 0.000 0.357 42 W C -0.538 176.017 176.519 0.059 0.000 1.326 42 W CA -0.464 56.905 57.345 0.041 0.000 1.318 42 W CB -0.104 29.366 29.460 0.018 0.000 1.193 42 W HN 0.388 nan 8.180 nan 0.000 0.620 43 K N 0.904 121.559 120.400 0.425 0.000 2.498 43 K HA 0.570 4.881 4.320 -0.015 0.000 0.254 43 K C -1.206 175.607 176.600 0.356 0.000 0.933 43 K CA -0.901 55.557 56.287 0.286 0.000 0.806 43 K CB 2.577 35.142 32.500 0.109 0.000 1.301 43 K HN 0.362 nan 8.250 nan 0.000 0.432 44 I N 2.224 122.994 120.570 0.334 0.000 2.466 44 I HA 0.229 4.390 4.170 -0.015 0.000 0.289 44 I C -0.845 175.387 176.117 0.192 0.000 1.026 44 I CA -0.813 60.637 61.300 0.250 0.000 1.078 44 I CB 2.136 40.295 38.000 0.265 0.000 1.249 44 I HN 0.446 nan 8.210 nan 0.000 0.429 45 E N 5.056 125.325 120.200 0.115 0.000 2.134 45 E HA 0.732 5.073 4.350 -0.015 0.000 0.278 45 E C -0.840 175.815 176.600 0.092 0.000 0.959 45 E CA -0.292 56.151 56.400 0.071 0.000 0.783 45 E CB 1.786 31.503 29.700 0.028 0.000 1.095 45 E HN 0.637 nan 8.360 nan 0.000 0.399 46 A N 3.412 126.320 122.820 0.147 0.000 2.488 46 A HA 0.537 4.848 4.320 -0.015 0.000 0.295 46 A C -0.597 177.075 177.584 0.146 0.000 1.045 46 A CA -0.862 51.253 52.037 0.130 0.000 0.703 46 A CB 0.870 19.943 19.000 0.121 0.000 1.271 46 A HN 0.704 nan 8.150 nan 0.000 0.400 47 R N 1.282 121.820 120.500 0.064 0.000 3.322 47 R HA -0.228 4.103 4.340 -0.015 0.000 0.253 47 R C 1.109 177.431 176.300 0.038 0.000 0.987 47 R CA 1.200 57.334 56.100 0.058 0.000 0.666 47 R CB -1.974 28.377 30.300 0.085 0.000 1.072 47 R HN 2.542 nan 8.270 nan 0.000 0.447 48 G N -0.472 108.333 108.800 0.008 0.000 2.166 48 G HA2 -0.374 3.577 3.960 -0.015 0.000 0.260 48 G HA3 -0.374 3.577 3.960 -0.015 0.000 0.260 48 G C 0.016 174.865 174.900 -0.085 0.000 0.986 48 G CA 1.108 46.193 45.100 -0.027 0.000 0.683 48 G HN 0.455 nan 8.290 nan 0.000 0.527 49 K N -0.485 119.835 120.400 -0.133 0.000 2.395 49 K HA 0.640 4.952 4.320 -0.015 0.000 0.247 49 K C -0.750 175.546 176.600 -0.508 0.000 0.973 49 K CA -0.665 55.395 56.287 -0.378 0.000 0.828 49 K CB 1.856 34.004 32.500 -0.587 0.000 1.272 49 K HN 0.039 nan 8.250 nan 0.000 0.439 50 T N 1.936 116.113 114.554 -0.629 0.000 2.779 50 T HA 0.482 4.823 4.350 -0.015 0.000 0.280 50 T C -0.986 173.260 174.700 -0.756 0.000 0.987 50 T CA -0.499 61.317 62.100 -0.473 0.000 0.966 50 T CB 0.107 68.825 68.868 -0.249 0.000 0.933 50 T HN 0.224 nan 8.240 nan 0.000 0.442 51 F N 1.708 121.460 119.950 -0.329 0.000 2.444 51 F HA 0.620 5.138 4.527 -0.015 0.000 0.342 51 F C 0.776 176.380 175.800 -0.326 0.000 1.121 51 F CA -0.746 56.870 58.000 -0.640 0.000 0.997 51 F CB 2.120 40.465 39.000 -1.091 0.000 1.130 51 F HN 0.369 nan 8.300 nan 0.000 0.454 52 T N 4.825 119.314 114.554 -0.108 0.000 2.952 52 T HA 0.489 4.831 4.350 -0.015 0.000 0.305 52 T C -2.810 171.888 174.700 -0.004 0.000 1.064 52 T CA -1.806 60.171 62.100 -0.205 0.000 1.008 52 T CB 1.589 70.362 68.868 -0.158 0.000 1.078 52 T HN 0.335 nan 8.240 nan 0.000 0.459 53 P HA 0.423 nan 4.420 nan 0.000 0.274 53 P C -2.783 174.546 177.300 0.048 0.000 1.256 53 P CA -1.373 61.686 63.100 -0.068 0.000 0.795 53 P CB -0.545 30.972 31.700 -0.305 0.000 1.038 54 P HA 0.199 nan 4.420 nan 0.000 0.271 54 P C 0.226 177.574 177.300 0.081 0.000 1.218 54 P CA -0.047 63.092 63.100 0.065 0.000 0.780 54 P CB 0.309 32.019 31.700 0.017 0.000 0.901 55 R N 2.948 123.449 120.500 0.002 0.000 4.792 55 R HA 0.180 4.511 4.340 -0.015 0.000 0.205 55 R C 0.352 176.325 176.300 -0.545 0.000 1.875 55 R CA 0.260 56.324 56.100 -0.061 0.000 1.588 55 R CB -0.546 29.803 30.300 0.082 0.000 1.401 55 R HN 0.487 nan 8.270 nan 0.000 0.834 56 K N -0.073 119.870 120.400 -0.762 0.000 2.625 56 K HA 0.146 4.457 4.320 -0.015 0.000 0.284 56 K C -0.803 175.460 176.600 -0.562 0.000 0.984 56 K CA -0.478 55.316 56.287 -0.823 0.000 0.865 56 K CB 1.625 33.911 32.500 -0.356 0.000 1.468 56 K HN 0.128 nan 8.250 nan 0.000 0.407 57 T N -1.206 113.074 114.554 -0.457 0.000 2.910 57 T HA 0.673 5.014 4.350 -0.015 0.000 0.279 57 T C -0.048 174.602 174.700 -0.082 0.000 0.989 57 T CA -0.517 61.504 62.100 -0.133 0.000 0.968 57 T CB 1.283 70.031 68.868 -0.200 0.000 1.135 57 T HN 0.614 nan 8.240 nan 0.000 0.562 58 S N -0.203 115.518 115.700 0.035 0.000 2.599 58 S HA 0.793 5.254 4.470 -0.015 0.000 0.287 58 S C -0.518 174.086 174.600 0.007 0.000 1.105 58 S CA -1.101 57.129 58.200 0.051 0.000 0.899 58 S CB 1.039 64.335 63.200 0.160 0.000 1.100 58 S HN 1.178 nan 8.310 nan 0.000 0.482 59 I N -1.438 119.139 120.570 0.011 0.000 2.892 59 I HA 0.929 5.090 4.170 -0.015 0.000 0.306 59 I C -0.093 175.953 176.117 -0.118 0.000 1.078 59 I CA -1.605 59.641 61.300 -0.090 0.000 1.032 59 I CB 1.607 39.545 38.000 -0.103 0.000 1.229 59 I HN 0.846 nan 8.210 nan 0.000 0.435 60 A N 3.914 126.509 122.820 -0.376 0.000 2.287 60 A HA 0.637 4.948 4.320 -0.015 0.000 0.273 60 A C -1.899 175.411 177.584 -0.456 0.000 1.091 60 A CA -1.496 50.152 52.037 -0.648 0.000 0.817 60 A CB -0.156 18.095 19.000 -1.249 0.000 1.069 60 A HN 0.715 nan 8.150 nan 0.000 0.492 61 P HA -0.196 nan 4.420 nan 0.000 0.215 61 P C 0.875 178.139 177.300 -0.060 0.000 1.157 61 P CA 2.049 65.117 63.100 -0.053 0.000 0.868 61 P CB -0.240 31.560 31.700 0.167 0.000 0.788 62 Y N -2.317 118.023 120.300 0.067 0.000 2.497 62 Y HA -0.013 4.528 4.550 -0.015 0.000 0.292 62 Y C 1.900 177.888 175.900 0.147 0.000 1.137 62 Y CA 1.016 59.158 58.100 0.070 0.000 1.285 62 Y CB -2.233 36.252 38.460 0.042 0.000 0.991 62 Y HN -0.158 nan 8.280 nan 0.000 0.556 63 T N 0.218 114.779 114.554 0.013 0.000 2.976 63 T HA 0.114 4.455 4.350 -0.015 0.000 0.257 63 T C 2.236 176.994 174.700 0.098 0.000 1.051 63 T CA 0.913 63.068 62.100 0.091 0.000 1.141 63 T CB -0.380 68.442 68.868 -0.077 0.000 0.881 63 T HN 0.528 nan 8.240 nan 0.000 0.461 64 A N 1.129 123.970 122.820 0.035 0.000 1.978 64 A HA 0.139 4.450 4.320 -0.015 0.000 0.220 64 A C 2.133 179.787 177.584 0.116 0.000 1.170 64 A CA 1.642 53.715 52.037 0.061 0.000 0.636 64 A CB -0.752 18.272 19.000 0.039 0.000 0.810 64 A HN 0.497 nan 8.150 nan 0.000 0.448 65 G N -2.770 106.114 108.800 0.139 0.000 3.690 65 G HA2 0.292 4.243 3.960 -0.015 0.000 0.283 65 G HA3 0.292 4.243 3.960 -0.015 0.000 0.283 65 G C 0.697 175.618 174.900 0.034 0.000 1.057 65 G CA 0.094 45.293 45.100 0.166 0.000 0.821 65 G HN 0.333 nan 8.290 nan 0.000 0.526 66 F N 1.219 121.130 119.950 -0.064 0.000 2.269 66 F HA 0.024 4.542 4.527 -0.015 0.000 0.301 66 F C 2.414 178.066 175.800 -0.247 0.000 1.082 66 F CA 1.430 59.352 58.000 -0.130 0.000 1.360 66 F CB 0.303 39.236 39.000 -0.113 0.000 1.041 66 F HN 0.198 nan 8.300 nan 0.000 0.512 67 K N 0.131 120.437 120.400 -0.155 0.000 2.152 67 K HA -0.200 4.111 4.320 -0.015 0.000 0.206 67 K C 2.162 178.553 176.600 -0.348 0.000 1.048 67 K CA 1.614 57.754 56.287 -0.246 0.000 0.933 67 K CB -0.302 32.177 32.500 -0.035 0.000 0.721 67 K HN 0.397 nan 8.250 nan 0.000 0.447 68 S N -0.198 115.182 115.700 -0.533 0.000 2.507 68 S HA -0.087 4.374 4.470 -0.015 0.000 0.235 68 S C 1.783 176.119 174.600 -0.440 0.000 0.988 68 S CA 0.748 58.532 58.200 -0.692 0.000 0.944 68 S CB -0.110 62.210 63.200 -1.467 0.000 0.762 68 S HN 0.291 nan 8.310 nan 0.000 0.526 69 M N 0.410 119.700 119.600 -0.517 0.000 2.357 69 M HA 0.279 4.750 4.480 -0.015 0.000 0.266 69 M C 1.951 178.168 176.300 -0.138 0.000 1.095 69 M CA 0.806 55.847 55.300 -0.432 0.000 1.156 69 M CB -0.319 31.774 32.600 -0.844 0.000 1.365 69 M HN 0.271 nan 8.290 nan 0.000 0.447 70 I N -0.721 119.602 120.570 -0.413 0.000 2.179 70 I HA -0.270 3.892 4.170 -0.015 0.000 0.242 70 I C 0.975 176.936 176.117 -0.260 0.000 1.088 70 I CA 1.402 62.483 61.300 -0.365 0.000 1.357 70 I CB -0.202 37.413 38.000 -0.642 0.000 1.051 70 I HN 0.232 nan 8.210 nan 0.000 0.409 71 Y N 0.728 120.982 120.300 -0.077 0.000 2.718 71 Y HA 0.249 4.790 4.550 -0.015 0.000 0.322 71 Y C 1.156 177.036 175.900 -0.034 0.000 1.122 71 Y CA -0.792 57.279 58.100 -0.048 0.000 1.348 71 Y CB -0.610 37.819 38.460 -0.053 0.000 1.174 71 Y HN -0.072 nan 8.280 nan 0.000 0.523 72 S N 1.295 117.069 115.700 0.123 0.000 2.562 72 S HA -0.035 4.426 4.470 -0.015 0.000 0.281 72 S C 1.367 176.041 174.600 0.124 0.000 1.333 72 S CA -0.303 57.965 58.200 0.113 0.000 1.052 72 S CB 0.526 63.837 63.200 0.186 0.000 0.884 72 S HN 0.648 nan 8.310 nan 0.000 0.506 73 D N 3.968 124.420 120.400 0.085 0.000 2.363 73 D HA -0.072 4.559 4.640 -0.015 0.000 0.220 73 D C 1.187 177.556 176.300 0.115 0.000 0.994 73 D CA 0.474 54.504 54.000 0.049 0.000 0.890 73 D CB -0.044 40.760 40.800 0.007 0.000 0.906 73 D HN 0.561 nan 8.370 nan 0.000 0.530 74 L N -0.101 121.259 121.223 0.228 0.000 2.628 74 L HA 0.188 4.520 4.340 -0.015 0.000 0.229 74 L C 0.919 178.051 176.870 0.436 0.000 1.137 74 L CA -0.572 54.508 54.840 0.400 0.000 0.909 74 L CB 0.026 42.282 42.059 0.327 0.000 1.137 74 L HN -0.170 nan 8.230 nan 0.000 0.470 75 R N 1.486 122.164 120.500 0.297 0.000 2.570 75 R HA 0.128 4.459 4.340 -0.015 0.000 0.277 75 R C -0.175 176.154 176.300 0.049 0.000 1.039 75 R CA 0.123 56.275 56.100 0.086 0.000 1.065 75 R CB 0.139 30.437 30.300 -0.004 0.000 0.964 75 R HN 0.050 nan 8.270 nan 0.000 0.428 76 I N 8.853 129.392 120.570 -0.053 0.000 2.581 76 I HA 0.037 4.198 4.170 -0.015 0.000 0.285 76 I C -1.332 174.668 176.117 -0.196 0.000 1.129 76 I CA -1.453 59.797 61.300 -0.084 0.000 1.397 76 I CB 1.110 39.033 38.000 -0.128 0.000 1.399 76 I HN 0.649 nan 8.210 nan 0.000 0.537 77 P HA -0.087 nan 4.420 nan 0.000 0.216 77 P C -0.916 176.111 177.300 -0.456 0.000 1.153 77 P CA 1.437 64.199 63.100 -0.564 0.000 0.844 77 P CB 0.153 31.206 31.700 -1.078 0.000 0.787 78 Y N -7.436 112.818 120.300 -0.077 0.000 2.818 78 Y HA 0.580 5.122 4.550 -0.015 0.000 0.341 78 Y C -3.272 172.452 175.900 -0.293 0.000 1.283 78 Y CA -3.825 54.181 58.100 -0.156 0.000 1.075 78 Y CB -0.854 37.538 38.460 -0.114 0.000 1.370 78 Y HN -0.408 nan 8.280 nan 0.000 0.448 79 P HA 0.265 nan 4.420 nan 0.000 0.265 79 P C -0.887 176.382 177.300 -0.050 0.000 1.193 79 P CA 0.577 63.448 63.100 -0.382 0.000 0.765 79 P CB 0.365 31.666 31.700 -0.666 0.000 0.823 80 M N 2.420 121.988 119.600 -0.053 0.000 2.530 80 M HA 0.458 4.929 4.480 -0.015 0.000 0.307 80 M C -0.136 176.253 176.300 0.148 0.000 1.161 80 M CA -0.623 54.727 55.300 0.083 0.000 0.903 80 M CB 2.895 35.504 32.600 0.015 0.000 1.711 80 M HN 0.098 nan 8.290 nan 0.000 0.451 81 K N 1.639 122.196 120.400 0.262 0.000 2.378 81 K HA 0.489 4.800 4.320 -0.015 0.000 0.252 81 K C -1.037 175.730 176.600 0.280 0.000 0.931 81 K CA -0.799 55.655 56.287 0.277 0.000 0.794 81 K CB 2.155 34.776 32.500 0.200 0.000 1.181 81 K HN 0.750 nan 8.250 nan 0.000 0.425 82 R N 3.748 124.349 120.500 0.169 0.000 2.421 82 R HA 0.016 4.347 4.340 -0.015 0.000 0.305 82 R C 0.452 176.742 176.300 -0.017 0.000 1.039 82 R CA 0.415 56.385 56.100 -0.216 0.000 1.003 82 R CB 0.534 30.734 30.300 -0.166 0.000 0.959 82 R HN 0.699 nan 8.270 nan 0.000 0.427 83 K N 1.483 121.826 120.400 -0.095 0.000 2.074 83 K HA -0.173 4.138 4.320 -0.015 0.000 0.209 83 K C 1.631 178.243 176.600 0.020 0.000 1.048 83 K CA 2.192 58.472 56.287 -0.013 0.000 0.926 83 K CB -0.015 32.465 32.500 -0.032 0.000 0.713 83 K HN 0.716 nan 8.250 nan 0.000 0.444 84 S N 0.320 116.028 115.700 0.012 0.000 2.607 84 S HA -0.049 4.412 4.470 -0.015 0.000 0.224 84 S C 0.333 175.004 174.600 0.119 0.000 0.969 84 S CA -0.180 58.047 58.200 0.045 0.000 0.927 84 S CB -0.363 62.855 63.200 0.029 0.000 0.772 84 S HN 0.219 nan 8.310 nan 0.000 0.533 85 F N 3.005 122.958 119.950 0.005 0.000 2.391 85 F HA 0.560 5.078 4.527 -0.015 0.000 0.359 85 F C -0.656 175.173 175.800 0.050 0.000 1.122 85 F CA -1.458 56.571 58.000 0.050 0.000 1.120 85 F CB 1.036 40.091 39.000 0.092 0.000 1.142 85 F HN -0.027 nan 8.300 nan 0.000 0.483 86 D N 8.654 128.679 120.400 -0.626 0.000 2.462 86 D HA 0.394 5.025 4.640 -0.015 0.000 0.245 86 D C -2.164 173.677 176.300 -0.765 0.000 1.122 86 D CA -2.577 51.091 54.000 -0.553 0.000 0.864 86 D CB 2.115 42.770 40.800 -0.242 0.000 1.098 86 D HN 0.205 nan 8.370 nan 0.000 0.541 87 P HA -0.093 nan 4.420 nan 0.000 0.217 87 P C -0.089 177.059 177.300 -0.253 0.000 1.148 87 P CA 1.152 63.937 63.100 -0.526 0.000 0.828 87 P CB 0.231 31.766 31.700 -0.275 0.000 0.783 88 N N -1.966 116.613 118.700 -0.202 0.000 2.214 88 N HA 0.262 4.993 4.740 -0.015 0.000 0.214 88 N C 0.779 176.233 175.510 -0.094 0.000 1.132 88 N CA 0.103 53.086 53.050 -0.110 0.000 0.856 88 N CB 0.702 39.143 38.487 -0.076 0.000 1.020 88 N HN 0.121 nan 8.380 nan 0.000 0.509 89 G N -0.555 108.169 108.800 -0.127 0.000 3.198 89 G HA2 0.179 4.130 3.960 -0.015 0.000 0.166 89 G HA3 0.179 4.130 3.960 -0.015 0.000 0.166 89 G C -1.106 173.747 174.900 -0.079 0.000 1.134 89 G CA -0.411 44.638 45.100 -0.085 0.000 0.941 89 G HN -0.093 nan 8.290 nan 0.000 0.639 90 E N 1.136 121.299 120.200 -0.061 0.000 2.257 90 E HA 0.254 4.595 4.350 -0.015 0.000 0.278 90 E C 0.948 177.525 176.600 -0.038 0.000 1.049 90 E CA -0.180 56.205 56.400 -0.026 0.000 0.876 90 E CB 1.665 31.362 29.700 -0.005 0.000 1.035 90 E HN 0.408 nan 8.360 nan 0.000 0.419 91 R N 2.096 122.610 120.500 0.023 0.000 2.240 91 R HA 0.033 4.364 4.340 -0.015 0.000 0.203 91 R C -0.113 176.340 176.300 0.254 0.000 1.011 91 R CA -0.157 56.028 56.100 0.141 0.000 1.007 91 R CB 0.061 30.531 30.300 0.283 0.000 0.911 91 R HN 0.465 nan 8.270 nan 0.000 0.468 92 N N 0.766 119.555 118.700 0.149 0.000 2.669 92 N HA -0.120 4.611 4.740 -0.015 0.000 0.266 92 N C -2.212 173.395 175.510 0.162 0.000 1.024 92 N CA 0.373 53.501 53.050 0.130 0.000 0.766 92 N CB -0.564 37.984 38.487 0.102 0.000 0.898 92 N HN 0.195 nan 8.380 nan 0.000 0.548 93 P HA -0.197 nan 4.420 nan 0.000 0.216 93 P C 1.732 179.119 177.300 0.145 0.000 1.150 93 P CA 1.226 64.428 63.100 0.169 0.000 0.837 93 P CB 0.135 31.921 31.700 0.144 0.000 0.786 94 Q N -0.095 119.771 119.800 0.110 0.000 2.500 94 Q HA -0.091 4.240 4.340 -0.015 0.000 0.213 94 Q C 1.397 177.459 176.000 0.102 0.000 0.974 94 Q CA 1.311 57.174 55.803 0.100 0.000 0.918 94 Q CB -1.125 27.655 28.738 0.070 0.000 0.980 94 Q HN 0.339 nan 8.270 nan 0.000 0.505 95 L N 0.436 121.718 121.223 0.098 0.000 2.607 95 L HA 0.254 4.585 4.340 -0.015 0.000 0.228 95 L C 0.654 177.560 176.870 0.060 0.000 1.123 95 L CA -0.312 54.570 54.840 0.069 0.000 0.890 95 L CB 0.165 42.254 42.059 0.049 0.000 1.103 95 L HN -0.009 nan 8.230 nan 0.000 0.468 96 R N 0.750 121.318 120.500 0.113 0.000 2.522 96 R HA 0.210 4.541 4.340 -0.015 0.000 0.284 96 R C 1.179 177.547 176.300 0.114 0.000 1.032 96 R CA 0.783 56.955 56.100 0.119 0.000 1.049 96 R CB 0.198 30.637 30.300 0.230 0.000 0.956 96 R HN 0.286 nan 8.270 nan 0.000 0.422 97 G N 1.589 110.308 108.800 -0.135 0.000 2.179 97 G HA2 -0.395 3.556 3.960 -0.015 0.000 0.260 97 G HA3 -0.395 3.556 3.960 -0.015 0.000 0.260 97 G C 0.964 175.752 174.900 -0.186 0.000 0.977 97 G CA 0.398 45.232 45.100 -0.443 0.000 0.641 97 G HN 0.734 nan 8.290 nan 0.000 0.533 98 A N 0.279 123.051 122.820 -0.080 0.000 1.908 98 A HA 0.241 4.552 4.320 -0.015 0.000 0.218 98 A C 2.838 180.390 177.584 -0.052 0.000 1.181 98 A CA 2.412 54.428 52.037 -0.036 0.000 0.627 98 A CB -1.056 17.933 19.000 -0.020 0.000 0.818 98 A HN 1.653 nan 8.150 nan 0.000 0.445 99 G N -0.590 108.165 108.800 -0.074 0.000 2.422 99 G HA2 -0.135 3.816 3.960 -0.015 0.000 0.218 99 G HA3 -0.135 3.816 3.960 -0.015 0.000 0.218 99 G C 1.438 176.307 174.900 -0.051 0.000 1.146 99 G CA 1.190 46.269 45.100 -0.035 0.000 0.769 99 G HN 0.396 nan 8.290 nan 0.000 0.547 100 L N 1.127 122.271 121.223 -0.131 0.000 2.056 100 L HA 0.067 4.398 4.340 -0.015 0.000 0.207 100 L C 2.916 179.730 176.870 -0.094 0.000 1.078 100 L CA 1.761 56.505 54.840 -0.159 0.000 0.749 100 L CB -0.556 41.323 42.059 -0.301 0.000 0.901 100 L HN 0.160 nan 8.230 nan 0.000 0.433 101 S N -0.358 115.309 115.700 -0.055 0.000 2.469 101 S HA -0.147 4.315 4.470 -0.015 0.000 0.238 101 S C 1.341 175.939 174.600 -0.004 0.000 0.998 101 S CA 1.276 59.474 58.200 -0.005 0.000 0.957 101 S CB -0.291 62.926 63.200 0.029 0.000 0.764 101 S HN 0.607 nan 8.310 nan 0.000 0.514 102 K N 0.247 120.641 120.400 -0.011 0.000 2.537 102 K HA 0.348 4.659 4.320 -0.015 0.000 0.206 102 K C -0.449 176.153 176.600 0.004 0.000 1.041 102 K CA -0.212 56.076 56.287 0.002 0.000 1.090 102 K CB 0.260 32.765 32.500 0.008 0.000 0.833 102 K HN -0.154 nan 8.250 nan 0.000 0.493 103 Q N 1.110 120.902 119.800 -0.013 0.000 2.481 103 Q HA -0.204 4.127 4.340 -0.015 0.000 0.272 103 Q C -1.099 174.921 176.000 0.033 0.000 1.157 103 Q CA 1.635 57.434 55.803 -0.007 0.000 0.935 103 Q CB -1.801 26.935 28.738 -0.002 0.000 1.338 103 Q HN 0.660 nan 8.270 nan 0.000 0.494 104 D N -2.401 118.026 120.400 0.045 0.000 2.668 104 D HA 0.282 4.913 4.640 -0.015 0.000 0.247 104 D C -2.208 174.170 176.300 0.130 0.000 1.268 104 D CA -1.793 52.272 54.000 0.107 0.000 0.842 104 D CB 0.978 41.836 40.800 0.096 0.000 1.399 104 D HN -0.159 nan 8.370 nan 0.000 0.530 105 P HA -0.087 nan 4.420 nan 0.000 0.215 105 P C 1.215 178.711 177.300 0.326 0.000 1.157 105 P CA 1.119 64.306 63.100 0.145 0.000 0.868 105 P CB 0.069 31.786 31.700 0.029 0.000 0.788 106 W N 0.464 121.925 121.300 0.268 0.000 2.350 106 W HA -0.144 4.507 4.660 -0.015 0.000 0.289 106 W C 2.639 179.223 176.519 0.108 0.000 1.215 106 W CA 1.638 59.019 57.345 0.061 0.000 1.236 106 W CB -1.425 27.974 29.460 -0.101 0.000 1.130 106 W HN 0.005 nan 8.180 nan 0.000 0.541 107 S N -0.669 115.212 115.700 0.301 0.000 2.469 107 S HA -0.188 4.273 4.470 -0.015 0.000 0.238 107 S C 1.232 175.888 174.600 0.093 0.000 0.998 107 S CA 1.563 59.863 58.200 0.166 0.000 0.957 107 S CB -0.375 62.891 63.200 0.110 0.000 0.764 107 S HN 0.141 nan 8.310 nan 0.000 0.514 108 D N 0.148 120.591 120.400 0.071 0.000 2.317 108 D HA 0.185 4.817 4.640 -0.015 0.000 0.211 108 D C -0.386 175.660 176.300 -0.425 0.000 0.966 108 D CA 0.606 54.487 54.000 -0.199 0.000 0.876 108 D CB 0.058 40.654 40.800 -0.342 0.000 0.927 108 D HN 0.527 nan 8.370 nan 0.000 0.519 109 Y N 0.132 120.479 120.300 0.078 0.000 2.549 109 Y HA 0.379 4.920 4.550 -0.015 0.000 0.339 109 Y C 0.406 176.356 175.900 0.083 0.000 1.053 109 Y CA -1.211 56.934 58.100 0.076 0.000 1.105 109 Y CB 1.344 39.840 38.460 0.060 0.000 1.258 109 Y HN -0.235 nan 8.280 nan 0.000 0.478 110 E N 1.170 121.507 120.200 0.228 0.000 2.317 110 E HA 0.481 4.822 4.350 -0.015 0.000 0.270 110 E C -1.220 175.457 176.600 0.128 0.000 0.885 110 E CA -1.334 55.149 56.400 0.138 0.000 0.760 110 E CB 2.249 31.990 29.700 0.070 0.000 1.227 110 E HN 0.631 nan 8.360 nan 0.000 0.434 111 R N 2.633 123.152 120.500 0.031 0.000 2.543 111 R HA 0.372 4.703 4.340 -0.015 0.000 0.277 111 R C -0.141 176.089 176.300 -0.116 0.000 1.074 111 R CA -0.064 55.960 56.100 -0.127 0.000 1.076 111 R CB 0.352 30.301 30.300 -0.584 0.000 0.993 111 R HN 0.680 nan 8.270 nan 0.000 0.459 112 I N -0.580 119.922 120.570 -0.114 0.000 3.095 112 I HA 0.438 4.599 4.170 -0.015 0.000 0.310 112 I C -0.506 175.535 176.117 -0.126 0.000 1.196 112 I CA -1.201 60.047 61.300 -0.087 0.000 0.985 112 I CB 2.240 40.224 38.000 -0.027 0.000 1.250 112 I HN 0.681 nan 8.210 nan 0.000 0.446 113 S N 1.088 116.742 115.700 -0.076 0.000 2.632 113 S HA 0.275 4.737 4.470 -0.015 0.000 0.267 113 S C 0.248 174.827 174.600 -0.035 0.000 1.276 113 S CA -0.388 57.788 58.200 -0.041 0.000 0.998 113 S CB 0.871 64.083 63.200 0.020 0.000 0.953 113 S HN 0.877 nan 8.310 nan 0.000 0.547 114 W N 0.604 121.896 121.300 -0.014 0.000 2.363 114 W HA -0.050 4.601 4.660 -0.014 0.000 0.296 114 W C 2.179 178.660 176.519 -0.064 0.000 1.212 114 W CA 1.441 58.762 57.345 -0.040 0.000 1.260 114 W CB -0.293 29.138 29.460 -0.047 0.000 1.131 114 W HN 0.909 nan 8.180 nan 0.000 0.530 115 D N -0.001 120.514 120.400 0.191 0.000 2.097 115 D HA -0.248 4.383 4.640 -0.015 0.000 0.195 115 D C 1.930 178.269 176.300 0.065 0.000 0.989 115 D CA 1.775 55.834 54.000 0.098 0.000 0.827 115 D CB -0.194 40.650 40.800 0.073 0.000 0.966 115 D HN 0.236 nan 8.370 nan 0.000 0.456 116 E N -0.581 119.650 120.200 0.052 0.000 2.107 116 E HA -0.117 4.224 4.350 -0.015 0.000 0.191 116 E C 1.953 178.585 176.600 0.053 0.000 0.982 116 E CA 0.871 57.297 56.400 0.043 0.000 0.809 116 E CB -0.144 29.572 29.700 0.028 0.000 0.756 116 E HN 0.286 nan 8.360 nan 0.000 0.459 117 A N 0.696 123.536 122.820 0.033 0.000 1.877 117 A HA -0.210 4.102 4.320 -0.015 0.000 0.216 117 A C 2.488 180.131 177.584 0.098 0.000 1.186 117 A CA 2.442 54.502 52.037 0.039 0.000 0.620 117 A CB -1.319 17.629 19.000 -0.087 0.000 0.822 117 A HN 0.523 nan 8.150 nan 0.000 0.443 118 T N -2.470 112.118 114.554 0.056 0.000 2.867 118 T HA -0.121 4.220 4.350 -0.015 0.000 0.268 118 T C 1.350 176.124 174.700 0.123 0.000 1.057 118 T CA 1.466 63.562 62.100 -0.005 0.000 1.136 118 T CB -0.427 68.230 68.868 -0.352 0.000 0.874 118 T HN 0.328 nan 8.240 nan 0.000 0.466 119 D N 1.347 121.800 120.400 0.089 0.000 2.117 119 D HA 0.050 4.681 4.640 -0.015 0.000 0.197 119 D C 2.048 178.412 176.300 0.107 0.000 0.987 119 D CA 0.689 54.746 54.000 0.095 0.000 0.829 119 D CB -0.313 40.526 40.800 0.065 0.000 0.961 119 D HN 0.430 nan 8.370 nan 0.000 0.460 120 I N 0.233 120.868 120.570 0.108 0.000 2.179 120 I HA -0.228 3.933 4.170 -0.015 0.000 0.242 120 I C 2.367 178.523 176.117 0.065 0.000 1.088 120 I CA 0.605 61.953 61.300 0.081 0.000 1.357 120 I CB -0.143 37.940 38.000 0.137 0.000 1.051 120 I HN -0.099 nan 8.210 nan 0.000 0.409 121 V N 0.402 120.446 119.914 0.218 0.000 2.295 121 V HA -0.239 3.872 4.120 -0.015 0.000 0.246 121 V C 2.438 178.683 176.094 0.251 0.000 1.049 121 V CA 1.566 64.044 62.300 0.298 0.000 1.024 121 V CB -0.444 31.608 31.823 0.381 0.000 0.648 121 V HN 0.233 nan 8.190 nan 0.000 0.447 122 V N 0.322 120.427 119.914 0.319 0.000 2.407 122 V HA -0.264 3.847 4.120 -0.015 0.000 0.248 122 V C 2.705 178.891 176.094 0.154 0.000 1.055 122 V CA 1.970 64.436 62.300 0.276 0.000 1.049 122 V CB -1.133 30.861 31.823 0.285 0.000 0.662 122 V HN 0.565 nan 8.190 nan 0.000 0.455 123 A N -0.538 122.340 122.820 0.098 0.000 1.902 123 A HA -0.207 4.104 4.320 -0.015 0.000 0.217 123 A C 2.227 179.827 177.584 0.025 0.000 1.181 123 A CA 1.694 53.760 52.037 0.047 0.000 0.623 123 A CB -0.389 18.620 19.000 0.015 0.000 0.818 123 A HN 0.515 nan 8.150 nan 0.000 0.443 124 E N -0.017 120.166 120.200 -0.029 0.000 2.047 124 E HA -0.126 4.216 4.350 -0.015 0.000 0.191 124 E C 2.040 178.707 176.600 0.112 0.000 0.987 124 E CA 1.008 57.382 56.400 -0.043 0.000 0.799 124 E CB -0.441 29.061 29.700 -0.330 0.000 0.752 124 E HN 0.722 nan 8.360 nan 0.000 0.449 125 I N 1.856 122.524 120.570 0.163 0.000 2.127 125 I HA -0.318 3.843 4.170 -0.015 0.000 0.241 125 I C 1.965 178.162 176.117 0.134 0.000 1.075 125 I CA 1.150 62.571 61.300 0.201 0.000 1.334 125 I CB -0.389 37.750 38.000 0.231 0.000 1.040 125 I HN 0.052 nan 8.210 nan 0.000 0.405 126 N N 0.575 119.327 118.700 0.085 0.000 2.188 126 N HA -0.188 4.543 4.740 -0.015 0.000 0.184 126 N C 1.851 177.370 175.510 0.015 0.000 1.018 126 N CA 1.037 54.088 53.050 0.002 0.000 0.858 126 N CB -0.488 37.992 38.487 -0.011 0.000 0.989 126 N HN 0.353 nan 8.380 nan 0.000 0.426 127 R N 0.947 121.490 120.500 0.071 0.000 2.073 127 R HA 0.020 4.351 4.340 -0.015 0.000 0.234 127 R C 2.084 178.462 176.300 0.130 0.000 1.134 127 R CA 0.989 57.146 56.100 0.095 0.000 0.952 127 R CB -0.234 30.119 30.300 0.089 0.000 0.850 127 R HN 0.155 nan 8.270 nan 0.000 0.433 128 I N 0.768 121.449 120.570 0.185 0.000 2.252 128 I HA -0.237 3.924 4.170 -0.015 0.000 0.245 128 I C 2.276 178.544 176.117 0.251 0.000 1.102 128 I CA 1.330 62.808 61.300 0.297 0.000 1.385 128 I CB -0.176 38.023 38.000 0.332 0.000 1.064 128 I HN 0.191 nan 8.210 nan 0.000 0.414 129 K N -0.199 120.302 120.400 0.168 0.000 2.097 129 K HA -0.187 4.124 4.320 -0.015 0.000 0.206 129 K C 1.982 178.676 176.600 0.157 0.000 1.049 129 K CA 1.432 57.800 56.287 0.136 0.000 0.933 129 K CB -0.232 32.295 32.500 0.046 0.000 0.717 129 K HN 0.482 nan 8.250 nan 0.000 0.442 130 H N -1.246 117.857 119.070 0.054 0.000 2.502 130 H HA 0.060 4.607 4.556 -0.015 0.000 0.283 130 H C 1.730 177.018 175.328 -0.066 0.000 1.015 130 H CA 0.404 56.455 56.048 0.006 0.000 1.298 130 H CB 0.422 30.187 29.762 0.006 0.000 1.411 130 H HN 0.235 nan 8.280 nan 0.000 0.556 131 A N -0.273 122.531 122.820 -0.028 0.000 2.014 131 A HA 0.010 4.322 4.320 -0.015 0.000 0.210 131 A C 0.927 178.171 177.584 -0.567 0.000 1.188 131 A CA 0.544 52.349 52.037 -0.388 0.000 0.731 131 A CB 0.127 18.741 19.000 -0.643 0.000 0.858 131 A HN 0.330 nan 8.150 nan 0.000 0.464 132 Y N -1.436 118.941 120.300 0.129 0.000 2.441 132 Y HA 0.455 4.997 4.550 -0.014 0.000 0.266 132 Y C 1.167 177.148 175.900 0.136 0.000 1.093 132 Y CA -0.178 57.996 58.100 0.123 0.000 1.246 132 Y CB 0.407 38.946 38.460 0.132 0.000 1.262 132 Y HN 0.501 nan 8.280 nan 0.000 0.518 133 G N 0.633 109.594 108.800 0.267 0.000 2.619 133 G HA2 -0.137 3.814 3.960 -0.015 0.000 0.686 133 G HA3 -0.137 3.814 3.960 -0.015 0.000 0.686 133 G C -2.374 172.670 174.900 0.240 0.000 1.256 133 G CA -0.697 44.539 45.100 0.227 0.000 0.826 133 G HN -0.083 nan 8.290 nan 0.000 0.619 134 P HA -0.127 nan 4.420 nan 0.000 0.217 134 P C 2.224 179.651 177.300 0.211 0.000 1.148 134 P CA 2.525 65.741 63.100 0.194 0.000 0.828 134 P CB -0.022 31.772 31.700 0.156 0.000 0.783 135 S N -0.697 115.135 115.700 0.221 0.000 2.469 135 S HA -0.083 4.378 4.470 -0.015 0.000 0.238 135 S C 1.930 176.652 174.600 0.203 0.000 0.998 135 S CA 0.999 59.307 58.200 0.180 0.000 0.957 135 S CB -1.243 62.100 63.200 0.238 0.000 0.764 135 S HN 0.134 nan 8.310 nan 0.000 0.514 136 A N 0.849 123.810 122.820 0.235 0.000 2.206 136 A HA 0.397 4.708 4.320 -0.015 0.000 0.211 136 A C 0.910 178.629 177.584 0.225 0.000 1.158 136 A CA 0.129 52.291 52.037 0.209 0.000 0.761 136 A CB -0.493 18.643 19.000 0.227 0.000 0.801 136 A HN 0.631 nan 8.150 nan 0.000 0.473 137 I N 1.274 122.002 120.570 0.263 0.000 2.287 137 I HA 0.227 4.388 4.170 -0.015 0.000 0.290 137 I C -0.440 175.889 176.117 0.353 0.000 1.069 137 I CA -0.568 60.927 61.300 0.325 0.000 1.237 137 I CB 1.070 39.281 38.000 0.352 0.000 1.418 137 I HN 0.169 nan 8.210 nan 0.000 0.481 138 L N 6.466 127.885 121.223 0.326 0.000 2.350 138 L HA 0.572 4.903 4.340 -0.015 0.000 0.275 138 L C -0.026 177.195 176.870 0.586 0.000 1.099 138 L CA 0.707 55.728 54.840 0.302 0.000 0.808 138 L CB 1.488 43.527 42.059 -0.033 0.000 1.149 138 L HN 0.583 nan 8.230 nan 0.000 0.442 139 S N 2.496 118.588 115.700 0.653 0.000 2.537 139 S HA 0.754 5.216 4.470 -0.015 0.000 0.271 139 S C -1.130 173.922 174.600 0.753 0.000 1.148 139 S CA -0.262 58.386 58.200 0.747 0.000 0.868 139 S CB 1.410 64.930 63.200 0.535 0.000 1.115 139 S HN 0.975 nan 8.310 nan 0.000 0.461 140 T N 4.230 119.165 114.554 0.634 0.000 3.393 140 T HA 0.563 4.904 4.350 -0.015 0.000 0.359 140 T C -2.943 171.897 174.700 0.233 0.000 1.380 140 T CA -0.798 61.575 62.100 0.456 0.000 1.132 140 T CB 1.709 70.803 68.868 0.376 0.000 1.284 140 T HN 0.454 nan 8.240 nan 0.000 0.477 141 P HA 0.644 nan 4.420 nan 0.000 0.333 141 P C -0.349 177.005 177.300 0.091 0.000 1.370 141 P CA -0.230 62.826 63.100 -0.072 0.000 0.851 141 P CB 0.969 32.281 31.700 -0.646 0.000 2.082 142 S N -2.765 112.982 115.700 0.078 0.000 2.776 142 S HA 0.357 4.818 4.470 -0.015 0.000 0.292 142 S C 1.374 175.974 174.600 0.001 0.000 1.187 142 S CA -0.288 57.900 58.200 -0.020 0.000 0.834 142 S CB 0.512 63.698 63.200 -0.023 0.000 1.199 142 S HN 0.240 nan 8.310 nan 0.000 0.514 143 S N 0.957 116.574 115.700 -0.139 0.000 2.359 143 S HA -0.031 4.430 4.470 -0.015 0.000 0.224 143 S C 0.540 175.000 174.600 -0.234 0.000 1.035 143 S CA 1.230 59.383 58.200 -0.079 0.000 1.018 143 S CB -0.423 62.719 63.200 -0.096 0.000 0.876 143 S HN 0.613 nan 8.310 nan 0.000 0.448 144 H N -0.449 118.751 119.070 0.216 0.000 2.615 144 H HA 0.561 5.108 4.556 -0.015 0.000 0.346 144 H C -0.193 175.273 175.328 0.230 0.000 1.200 144 H CA -0.283 55.951 56.048 0.311 0.000 1.264 144 H CB 1.266 31.250 29.762 0.370 0.000 1.699 144 H HN 0.258 nan 8.280 nan 0.000 0.567 145 H N 0.660 119.827 119.070 0.162 0.000 3.003 145 H HA 0.089 4.636 4.556 -0.015 0.000 0.327 145 H C -0.624 174.761 175.328 0.094 0.000 1.353 145 H CA -0.658 55.347 56.048 -0.072 0.000 1.142 145 H CB 1.553 30.899 29.762 -0.693 0.000 1.864 145 H HN 0.384 nan 8.280 nan 0.000 0.529 146 M N 1.694 121.286 119.600 -0.014 0.000 2.245 146 M HA -0.123 4.348 4.480 -0.015 0.000 0.335 146 M C 0.764 177.354 176.300 0.484 0.000 1.155 146 M CA 0.566 56.009 55.300 0.238 0.000 1.055 146 M CB -0.350 32.313 32.600 0.105 0.000 1.670 146 M HN 0.416 nan 8.290 nan 0.000 0.447 147 W N 2.405 123.824 121.300 0.198 0.000 2.193 147 W HA 0.350 5.001 4.660 -0.015 0.000 0.338 147 W C 0.225 176.866 176.519 0.202 0.000 1.310 147 W CA 0.517 57.984 57.345 0.204 0.000 1.243 147 W CB 0.973 30.474 29.460 0.067 0.000 1.165 147 W HN 0.767 nan 8.180 nan 0.000 0.566 148 G N 3.891 112.606 108.800 -0.143 0.000 2.414 148 G HA2 -0.197 3.755 3.960 -0.015 0.000 0.213 148 G HA3 -0.197 3.755 3.960 -0.015 0.000 0.213 148 G C -0.101 174.742 174.900 -0.095 0.000 1.444 148 G CA -0.717 44.337 45.100 -0.076 0.000 1.076 148 G HN 0.513 nan 8.290 nan 0.000 0.638 149 N N 0.490 119.047 118.700 -0.238 0.000 2.069 149 N HA -0.123 4.608 4.740 -0.015 0.000 0.191 149 N C 2.563 177.975 175.510 -0.163 0.000 1.031 149 N CA 1.704 54.604 53.050 -0.251 0.000 0.852 149 N CB -0.045 38.214 38.487 -0.380 0.000 1.018 149 N HN 0.450 nan 8.380 nan 0.000 0.423 150 V N -0.096 119.684 119.914 -0.224 0.000 2.427 150 V HA -0.072 4.039 4.120 -0.015 0.000 0.248 150 V C 2.090 178.190 176.094 0.009 0.000 1.051 150 V CA 1.946 64.171 62.300 -0.125 0.000 1.048 150 V CB -0.958 30.789 31.823 -0.128 0.000 0.666 150 V HN 0.430 nan 8.190 nan 0.000 0.456 151 G N -2.515 106.329 108.800 0.074 0.000 2.880 151 G HA2 -0.064 3.888 3.960 -0.015 0.000 0.209 151 G HA3 -0.064 3.888 3.960 -0.015 0.000 0.209 151 G C 0.438 175.405 174.900 0.113 0.000 1.157 151 G CA -0.235 44.968 45.100 0.171 0.000 0.779 151 G HN 0.430 nan 8.290 nan 0.000 0.539 152 Y N 1.640 121.857 120.300 -0.139 0.000 2.607 152 Y HA 0.044 4.585 4.550 -0.015 0.000 0.348 152 Y C 2.405 178.065 175.900 -0.400 0.000 1.261 152 Y CA 0.121 57.955 58.100 -0.445 0.000 1.480 152 Y CB 0.781 39.076 38.460 -0.274 0.000 1.358 152 Y HN 0.216 nan 8.280 nan 0.000 0.630 153 R N 0.753 120.809 120.500 -0.740 0.000 2.159 153 R HA -0.212 4.119 4.340 -0.015 0.000 0.237 153 R C 0.914 176.971 176.300 -0.407 0.000 1.131 153 R CA 2.242 58.002 56.100 -0.568 0.000 0.982 153 R CB -0.713 29.119 30.300 -0.781 0.000 0.868 153 R HN 0.754 nan 8.270 nan 0.000 0.453 154 H N 0.062 119.084 119.070 -0.081 0.000 2.524 154 H HA 0.098 4.645 4.556 -0.015 0.000 0.282 154 H C 1.928 177.379 175.328 0.205 0.000 1.016 154 H CA 1.242 57.334 56.048 0.073 0.000 1.270 154 H CB 0.308 30.253 29.762 0.306 0.000 1.394 154 H HN 0.284 nan 8.280 nan 0.000 0.568 155 S N -1.107 114.742 115.700 0.248 0.000 2.460 155 S HA -0.044 4.417 4.470 -0.015 0.000 0.185 155 S C 2.115 176.807 174.600 0.153 0.000 0.908 155 S CA 0.839 59.159 58.200 0.200 0.000 0.894 155 S CB -0.394 62.897 63.200 0.152 0.000 0.855 155 S HN 0.329 nan 8.310 nan 0.000 0.574 156 T N 1.169 115.821 114.554 0.163 0.000 2.674 156 T HA -0.078 4.263 4.350 -0.015 0.000 0.265 156 T C 1.577 176.415 174.700 0.231 0.000 1.039 156 T CA 1.848 64.121 62.100 0.288 0.000 1.150 156 T CB -0.740 68.394 68.868 0.445 0.000 0.864 156 T HN 0.513 nan 8.240 nan 0.000 0.427 157 Y N 1.020 121.301 120.300 -0.031 0.000 2.069 157 Y HA -0.228 4.314 4.550 -0.015 0.000 0.278 157 Y C 1.992 177.712 175.900 -0.300 0.000 1.175 157 Y CA 1.384 59.302 58.100 -0.303 0.000 1.134 157 Y CB -0.760 37.325 38.460 -0.625 0.000 0.965 157 Y HN 0.290 nan 8.280 nan 0.000 0.498 158 F N -0.201 119.637 119.950 -0.186 0.000 2.134 158 F HA -0.222 4.296 4.527 -0.015 0.000 0.299 158 F C 2.825 178.480 175.800 -0.241 0.000 1.097 158 F CA 1.116 58.946 58.000 -0.285 0.000 1.264 158 F CB -0.357 38.587 39.000 -0.093 0.000 1.001 158 F HN -0.027 nan 8.300 nan 0.000 0.479 159 R N 0.061 120.635 120.500 0.124 0.000 2.103 159 R HA -0.250 4.081 4.340 -0.015 0.000 0.242 159 R C 2.189 178.568 176.300 0.131 0.000 1.142 159 R CA 1.942 58.119 56.100 0.129 0.000 0.960 159 R CB -0.543 29.851 30.300 0.156 0.000 0.858 159 R HN 0.321 nan 8.270 nan 0.000 0.439 160 F N 0.457 120.322 119.950 -0.141 0.000 2.094 160 F HA -0.122 4.396 4.527 -0.015 0.000 0.291 160 F C 2.125 177.534 175.800 -0.652 0.000 1.109 160 F CA 1.178 58.865 58.000 -0.521 0.000 1.221 160 F CB -0.172 38.085 39.000 -1.238 0.000 1.014 160 F HN -0.081 nan 8.300 nan 0.000 0.473 161 M N 0.793 119.824 119.600 -0.947 0.000 2.144 161 M HA -0.268 4.203 4.480 -0.015 0.000 0.260 161 M C 1.781 177.620 176.300 -0.767 0.000 1.067 161 M CA 1.636 56.194 55.300 -1.237 0.000 1.095 161 M CB -1.946 29.472 32.600 -1.970 0.000 1.365 161 M HN 0.362 nan 8.290 nan 0.000 0.406 162 N N -0.320 118.139 118.700 -0.403 0.000 2.289 162 N HA -0.098 4.633 4.740 -0.015 0.000 0.184 162 N C 1.517 176.925 175.510 -0.170 0.000 1.016 162 N CA 0.911 53.887 53.050 -0.123 0.000 0.872 162 N CB -0.065 38.356 38.487 -0.110 0.000 0.973 162 N HN 0.386 nan 8.380 nan 0.000 0.433 163 M N -0.531 118.881 119.600 -0.314 0.000 2.502 163 M HA 0.111 4.582 4.480 -0.015 0.000 0.243 163 M C 1.696 177.786 176.300 -0.350 0.000 1.130 163 M CA 0.345 55.482 55.300 -0.272 0.000 1.055 163 M CB 0.395 32.854 32.600 -0.235 0.000 1.457 163 M HN 0.227 nan 8.290 nan 0.000 0.488 164 M N -0.579 118.718 119.600 -0.505 0.000 2.940 164 M HA 0.251 4.722 4.480 -0.015 0.000 0.248 164 M C 1.115 177.332 176.300 -0.138 0.000 1.379 164 M CA 1.241 56.289 55.300 -0.421 0.000 1.262 164 M CB -0.123 32.008 32.600 -0.781 0.000 1.201 164 M HN 0.159 nan 8.290 nan 0.000 0.553 165 G N -0.347 108.424 108.800 -0.048 0.000 3.341 165 G HA2 0.572 4.523 3.960 -0.015 0.000 0.177 165 G HA3 0.572 4.523 3.960 -0.015 0.000 0.177 165 G C -0.887 174.197 174.900 0.307 0.000 1.236 165 G CA -0.092 45.128 45.100 0.200 0.000 0.888 165 G HN 0.529 nan 8.290 nan 0.000 0.644 166 F N -3.019 116.910 119.950 -0.034 0.000 2.878 166 F HA 0.583 5.101 4.527 -0.015 0.000 0.322 166 F C -1.172 174.662 175.800 0.056 0.000 1.154 166 F CA -1.160 56.857 58.000 0.027 0.000 0.896 166 F CB 1.226 40.228 39.000 0.004 0.000 1.313 166 F HN 0.373 nan 8.300 nan 0.000 0.451 167 T N 2.219 116.770 114.554 -0.005 0.000 2.733 167 T HA 0.257 4.598 4.350 -0.015 0.000 0.294 167 T C -1.360 173.323 174.700 -0.029 0.000 0.956 167 T CA -0.138 61.895 62.100 -0.113 0.000 0.987 167 T CB 0.084 68.970 68.868 0.030 0.000 0.920 167 T HN 0.529 nan 8.240 nan 0.000 0.470 168 Y N 3.029 123.102 120.300 -0.379 0.000 2.304 168 Y HA 0.501 5.043 4.550 -0.014 0.000 0.328 168 Y C 0.128 176.060 175.900 0.053 0.000 1.123 168 Y CA -1.917 56.138 58.100 -0.076 0.000 1.218 168 Y CB 0.645 38.999 38.460 -0.177 0.000 1.207 168 Y HN 0.659 nan 8.280 nan 0.000 0.495 169 A N 6.013 128.679 122.820 -0.258 0.000 2.923 169 A HA 0.183 4.495 4.320 -0.015 0.000 0.306 169 A C -0.249 176.976 177.584 -0.598 0.000 1.542 169 A CA -0.615 51.246 52.037 -0.293 0.000 1.225 169 A CB -0.789 18.137 19.000 -0.123 0.000 1.147 169 A HN 0.757 nan 8.150 nan 0.000 0.542 170 D N 1.554 121.684 120.400 -0.451 0.000 2.472 170 D HA 0.029 4.661 4.640 -0.015 0.000 0.237 170 D C -0.004 176.239 176.300 -0.094 0.000 1.141 170 D CA 0.635 54.398 54.000 -0.395 0.000 0.875 170 D CB 0.408 41.177 40.800 -0.051 0.000 1.192 170 D HN 0.535 nan 8.370 nan 0.000 0.450 171 H N 2.322 121.290 119.070 -0.171 0.000 2.683 171 H HA 0.110 4.657 4.556 -0.014 0.000 0.339 171 H C 0.591 176.039 175.328 0.201 0.000 1.081 171 H CA -0.447 55.594 56.048 -0.012 0.000 1.432 171 H CB 0.322 30.090 29.762 0.010 0.000 1.462 171 H HN 0.374 nan 8.280 nan 0.000 0.557 172 N N 3.967 122.877 118.700 0.350 0.000 2.482 172 N HA 0.045 4.776 4.740 -0.015 0.000 0.260 172 N C -2.523 173.247 175.510 0.433 0.000 1.236 172 N CA -1.572 51.701 53.050 0.371 0.000 0.938 172 N CB 0.852 39.521 38.487 0.303 0.000 1.128 172 N HN 0.309 nan 8.380 nan 0.000 0.448 173 P HA 0.048 nan 4.420 nan 0.000 0.231 173 P C -0.161 177.280 177.300 0.236 0.000 1.756 173 P CA -0.210 62.812 63.100 -0.129 0.000 0.990 173 P CB -0.280 30.950 31.700 -0.785 0.000 1.973 174 D N 0.297 120.854 120.400 0.261 0.000 2.160 174 D HA -0.243 4.389 4.640 -0.015 0.000 0.189 174 D C 1.522 177.839 176.300 0.028 0.000 1.003 174 D CA 1.761 55.851 54.000 0.149 0.000 0.846 174 D CB -1.335 39.508 40.800 0.073 0.000 0.949 174 D HN 0.123 nan 8.370 nan 0.000 0.446 175 S N -0.936 114.641 115.700 -0.205 0.000 2.383 175 S HA -0.111 4.350 4.470 -0.015 0.000 0.229 175 S C 1.490 175.693 174.600 -0.662 0.000 1.030 175 S CA 1.149 58.805 58.200 -0.907 0.000 1.002 175 S CB -0.404 61.617 63.200 -1.964 0.000 0.829 175 S HN 0.476 nan 8.310 nan 0.000 0.467 176 W N 1.239 122.534 121.300 -0.008 0.000 3.107 176 W HA 0.210 4.861 4.660 -0.015 0.000 0.293 176 W C 1.353 178.083 176.519 0.352 0.000 1.239 176 W CA -0.474 57.048 57.345 0.295 0.000 1.653 176 W CB -0.335 29.240 29.460 0.191 0.000 1.068 176 W HN 0.224 nan 8.180 nan 0.000 0.615 177 E N 0.839 121.329 120.200 0.483 0.000 2.654 177 E HA -0.313 4.028 4.350 -0.015 0.000 0.247 177 E C 2.130 179.074 176.600 0.572 0.000 0.985 177 E CA 2.515 59.240 56.400 0.542 0.000 1.260 177 E CB -1.478 28.459 29.700 0.395 0.000 1.214 177 E HN 0.324 nan 8.360 nan 0.000 0.499 178 G N -0.226 108.793 108.800 0.365 0.000 2.469 178 G HA2 -0.243 3.708 3.960 -0.015 0.000 0.219 178 G HA3 -0.243 3.708 3.960 -0.015 0.000 0.219 178 G C 1.428 176.381 174.900 0.088 0.000 1.150 178 G CA 1.151 46.346 45.100 0.158 0.000 0.763 178 G HN 0.335 nan 8.290 nan 0.000 0.561 179 W N -0.519 120.925 121.300 0.240 0.000 2.436 179 W HA 0.091 4.742 4.660 -0.015 0.000 0.284 179 W C 2.407 179.015 176.519 0.147 0.000 1.225 179 W CA 0.791 58.234 57.345 0.164 0.000 1.271 179 W CB -0.387 29.215 29.460 0.238 0.000 1.114 179 W HN 0.272 nan 8.180 nan 0.000 0.559 180 H N -1.333 117.906 119.070 0.282 0.000 2.307 180 H HA -0.138 4.409 4.556 -0.015 0.000 0.303 180 H C 1.157 176.407 175.328 -0.130 0.000 1.073 180 H CA 1.948 57.961 56.048 -0.059 0.000 1.338 180 H CB -0.730 28.868 29.762 -0.274 0.000 1.389 180 H HN 0.208 nan 8.280 nan 0.000 0.503 181 W N 0.248 121.736 121.300 0.313 0.000 3.139 181 W HA 0.235 4.886 4.660 -0.014 0.000 0.260 181 W C 2.159 178.829 176.519 0.252 0.000 1.312 181 W CA 0.479 57.982 57.345 0.264 0.000 1.606 181 W CB 0.294 29.930 29.460 0.293 0.000 1.118 181 W HN 0.285 nan 8.180 nan 0.000 0.675 182 G N -0.779 108.225 108.800 0.339 0.000 2.766 182 G HA2 0.114 4.065 3.960 -0.015 0.000 0.201 182 G HA3 0.114 4.065 3.960 -0.015 0.000 0.201 182 G C 1.593 176.533 174.900 0.066 0.000 1.177 182 G CA 0.372 45.596 45.100 0.207 0.000 0.773 182 G HN 0.153 nan 8.290 nan 0.000 0.648 183 G N 0.997 109.757 108.800 -0.066 0.000 2.450 183 G HA2 -0.234 3.718 3.960 -0.015 0.000 0.220 183 G HA3 -0.234 3.718 3.960 -0.015 0.000 0.220 183 G C 1.763 176.681 174.900 0.030 0.000 1.130 183 G CA 1.230 46.227 45.100 -0.171 0.000 0.760 183 G HN 0.344 nan 8.290 nan 0.000 0.557 184 M N -0.074 119.558 119.600 0.053 0.000 2.149 184 M HA -0.121 4.350 4.480 -0.015 0.000 0.261 184 M C 2.283 178.504 176.300 -0.131 0.000 1.064 184 M CA 1.336 56.605 55.300 -0.053 0.000 1.102 184 M CB -0.259 32.128 32.600 -0.356 0.000 1.369 184 M HN 0.317 nan 8.290 nan 0.000 0.408 185 H N -1.215 117.860 119.070 0.009 0.000 2.495 185 H HA -0.093 4.454 4.556 -0.015 0.000 0.287 185 H C 1.880 177.214 175.328 0.011 0.000 1.033 185 H CA 1.552 57.603 56.048 0.005 0.000 1.307 185 H CB -0.221 29.543 29.762 0.004 0.000 1.401 185 H HN 0.531 nan 8.280 nan 0.000 0.555 186 M N -0.033 119.605 119.600 0.062 0.000 2.447 186 M HA -0.041 4.430 4.480 -0.015 0.000 0.266 186 M C 0.877 177.225 176.300 0.080 0.000 1.120 186 M CA 0.963 56.237 55.300 -0.042 0.000 1.166 186 M CB 0.476 32.894 32.600 -0.304 0.000 1.349 186 M HN 0.282 nan 8.290 nan 0.000 0.463 187 W N -0.262 120.992 121.300 -0.077 0.000 2.055 187 W HA 0.619 5.270 4.660 -0.015 0.000 0.293 187 W C 0.263 176.731 176.519 -0.085 0.000 0.886 187 W CA -0.294 57.009 57.345 -0.070 0.000 1.384 187 W CB -1.194 28.249 29.460 -0.028 0.000 1.068 187 W HN 0.434 nan 8.180 nan 0.000 0.513 188 G N 2.077 110.995 108.800 0.197 0.000 2.527 188 G HA2 -0.327 3.625 3.960 -0.015 0.000 0.262 188 G HA3 -0.327 3.625 3.960 -0.015 0.000 0.262 188 G C 0.321 175.075 174.900 -0.243 0.000 1.153 188 G CA 0.740 45.786 45.100 -0.090 0.000 0.954 188 G HN 0.593 nan 8.290 nan 0.000 0.552 189 F N 0.561 120.014 119.950 -0.828 0.000 3.091 189 F HA -0.235 4.283 4.527 -0.015 0.000 0.288 189 F C 2.272 177.340 175.800 -1.220 0.000 0.907 189 F CA 1.702 58.713 58.000 -1.647 0.000 1.028 189 F CB -1.873 36.418 39.000 -1.180 0.000 1.022 189 F HN 1.336 nan 8.300 nan 0.000 0.665 190 S N -0.341 115.005 115.700 -0.591 0.000 2.383 190 S HA -0.263 4.198 4.470 -0.015 0.000 0.229 190 S C 1.617 176.102 174.600 -0.192 0.000 1.030 190 S CA 1.444 59.472 58.200 -0.287 0.000 1.002 190 S CB -0.905 62.214 63.200 -0.136 0.000 0.829 190 S HN 0.738 nan 8.310 nan 0.000 0.467 191 W N 1.405 122.692 121.300 -0.022 0.000 2.525 191 W HA 0.271 4.922 4.660 -0.014 0.000 0.259 191 W C 1.788 178.302 176.519 -0.009 0.000 1.253 191 W CA 0.187 57.541 57.345 0.015 0.000 1.262 191 W CB -0.265 29.230 29.460 0.058 0.000 1.122 191 W HN 0.101 nan 8.180 nan 0.000 0.607 192 R N 0.776 120.956 120.500 -0.533 0.000 2.509 192 R HA 0.272 4.604 4.340 -0.015 0.000 0.300 192 R C 0.602 176.704 176.300 -0.329 0.000 0.985 192 R CA -0.132 55.754 56.100 -0.356 0.000 1.092 192 R CB -0.156 29.864 30.300 -0.467 0.000 1.237 192 R HN 0.198 nan 8.270 nan 0.000 0.546 193 L N 0.042 121.038 121.223 -0.378 0.000 3.843 193 L HA -0.320 4.011 4.340 -0.015 0.000 0.411 193 L C 0.814 177.619 176.870 -0.109 0.000 1.205 193 L CA 0.783 55.388 54.840 -0.391 0.000 0.945 193 L CB -1.788 39.661 42.059 -1.017 0.000 1.929 193 L HN 0.645 nan 8.230 nan 0.000 0.934 194 G N -2.404 106.348 108.800 -0.080 0.000 2.238 194 G HA2 -0.232 3.719 3.960 -0.015 0.000 0.217 194 G HA3 -0.232 3.719 3.960 -0.015 0.000 0.217 194 G C 0.233 175.265 174.900 0.220 0.000 0.996 194 G CA 0.147 45.377 45.100 0.215 0.000 0.632 194 G HN 0.346 nan 8.290 nan 0.000 0.503 195 N N 2.404 121.017 118.700 -0.145 0.000 2.483 195 N HA 0.507 5.238 4.740 -0.015 0.000 0.269 195 N C -2.283 172.682 175.510 -0.909 0.000 1.209 195 N CA -1.087 51.651 53.050 -0.521 0.000 0.969 195 N CB 1.315 39.471 38.487 -0.552 0.000 1.173 195 N HN 0.270 nan 8.380 nan 0.000 0.475 196 P HA 0.148 nan 4.420 nan 0.000 0.279 196 P C -0.509 176.249 177.300 -0.903 0.000 1.252 196 P CA -0.417 61.780 63.100 -1.505 0.000 0.811 196 P CB 1.024 32.192 31.700 -0.886 0.000 1.035 197 E N 1.282 121.087 120.200 -0.658 0.000 2.392 197 E HA 0.086 4.427 4.350 -0.015 0.000 0.256 197 E C 0.124 176.562 176.600 -0.270 0.000 1.145 197 E CA -0.505 55.749 56.400 -0.243 0.000 0.929 197 E CB 0.261 30.125 29.700 0.273 0.000 0.998 197 E HN 0.309 nan 8.360 nan 0.000 0.442 198 Q N 0.641 120.207 119.800 -0.391 0.000 2.064 198 Q HA 0.083 4.415 4.340 -0.015 0.000 0.213 198 Q C -0.904 174.960 176.000 -0.225 0.000 0.779 198 Q CA -0.288 55.362 55.803 -0.256 0.000 1.032 198 Q CB 0.281 28.874 28.738 -0.241 0.000 1.203 198 Q HN 0.553 nan 8.270 nan 0.000 0.457 199 Y N 2.253 122.485 120.300 -0.114 0.000 2.904 199 Y HA -0.166 4.375 4.550 -0.015 0.000 0.336 199 Y C 1.001 176.917 175.900 0.027 0.000 1.263 199 Y CA 0.640 58.687 58.100 -0.087 0.000 1.547 199 Y CB 0.188 38.584 38.460 -0.108 0.000 1.272 199 Y HN 0.161 nan 8.280 nan 0.000 0.596 200 D N 1.455 122.026 120.400 0.284 0.000 2.860 200 D HA -0.259 4.372 4.640 -0.015 0.000 0.229 200 D C 0.853 177.087 176.300 -0.110 0.000 1.169 200 D CA 0.870 54.932 54.000 0.103 0.000 0.737 200 D CB -0.906 39.988 40.800 0.155 0.000 1.080 200 D HN 0.648 nan 8.370 nan 0.000 0.424 201 L N -0.557 120.504 121.223 -0.269 0.000 2.240 201 L HA -0.085 4.246 4.340 -0.015 0.000 0.211 201 L C 2.472 178.730 176.870 -1.020 0.000 1.106 201 L CA 0.216 54.659 54.840 -0.661 0.000 0.793 201 L CB -0.137 41.341 42.059 -0.968 0.000 0.927 201 L HN 0.149 nan 8.230 nan 0.000 0.446 202 L N 0.597 121.425 121.223 -0.658 0.000 1.990 202 L HA -0.276 4.056 4.340 -0.015 0.000 0.213 202 L C 2.458 179.097 176.870 -0.385 0.000 1.072 202 L CA 2.157 56.729 54.840 -0.446 0.000 0.755 202 L CB -0.576 41.410 42.059 -0.122 0.000 0.889 202 L HN 0.336 nan 8.230 nan 0.000 0.432 203 E N -1.119 118.910 120.200 -0.285 0.000 2.110 203 E HA -0.291 4.051 4.350 -0.015 0.000 0.193 203 E C 1.872 178.342 176.600 -0.216 0.000 0.988 203 E CA 1.423 57.706 56.400 -0.195 0.000 0.804 203 E CB -0.198 29.429 29.700 -0.122 0.000 0.745 203 E HN 0.672 nan 8.360 nan 0.000 0.458 204 D N -0.665 119.586 120.400 -0.247 0.000 2.117 204 D HA -0.103 4.528 4.640 -0.015 0.000 0.197 204 D C 1.881 178.081 176.300 -0.167 0.000 0.987 204 D CA 1.720 55.653 54.000 -0.112 0.000 0.829 204 D CB -0.447 40.315 40.800 -0.064 0.000 0.961 204 D HN 0.293 nan 8.370 nan 0.000 0.460 205 G N 0.165 108.636 108.800 -0.548 0.000 2.404 205 G HA2 -0.178 3.773 3.960 -0.015 0.000 0.215 205 G HA3 -0.178 3.773 3.960 -0.015 0.000 0.215 205 G C 1.717 176.514 174.900 -0.172 0.000 1.174 205 G CA 0.440 45.215 45.100 -0.541 0.000 0.780 205 G HN 0.317 nan 8.290 nan 0.000 0.537 206 L N -0.125 120.983 121.223 -0.193 0.000 2.127 206 L HA -0.085 4.246 4.340 -0.015 0.000 0.211 206 L C 2.911 179.697 176.870 -0.140 0.000 1.089 206 L CA 1.290 56.023 54.840 -0.179 0.000 0.757 206 L CB -0.217 41.648 42.059 -0.322 0.000 0.899 206 L HN 0.216 nan 8.230 nan 0.000 0.434 207 K N -1.550 118.718 120.400 -0.220 0.000 2.186 207 K HA -0.016 4.295 4.320 -0.015 0.000 0.202 207 K C 1.542 177.880 176.600 -0.436 0.000 1.052 207 K CA 0.721 56.784 56.287 -0.374 0.000 0.965 207 K CB 0.184 32.313 32.500 -0.619 0.000 0.746 207 K HN 0.403 nan 8.250 nan 0.000 0.457 208 H N -1.189 117.934 119.070 0.089 0.000 3.241 208 H HA 0.275 4.822 4.556 -0.015 0.000 0.260 208 H C 0.185 175.652 175.328 0.233 0.000 1.084 208 H CA -0.185 55.951 56.048 0.147 0.000 1.203 208 H CB 0.357 30.214 29.762 0.158 0.000 1.524 208 H HN 0.018 nan 8.280 nan 0.000 0.521 209 A N 1.567 124.604 122.820 0.362 0.000 2.511 209 A HA 0.087 4.398 4.320 -0.015 0.000 0.242 209 A C 0.806 178.547 177.584 0.261 0.000 1.069 209 A CA 0.314 52.600 52.037 0.413 0.000 0.763 209 A CB 0.462 19.621 19.000 0.266 0.000 1.001 209 A HN 0.444 nan 8.150 nan 0.000 0.498 210 E N 0.823 121.167 120.200 0.239 0.000 2.441 210 E HA 0.239 4.581 4.350 -0.015 0.000 0.212 210 E C -0.024 176.653 176.600 0.128 0.000 0.840 210 E CA 0.208 56.699 56.400 0.151 0.000 1.143 210 E CB 0.585 30.358 29.700 0.123 0.000 1.153 210 E HN 0.793 nan 8.360 nan 0.000 0.539 211 M N 1.160 120.847 119.600 0.144 0.000 2.465 211 M HA 0.425 4.896 4.480 -0.015 0.000 0.284 211 M C -2.165 174.164 176.300 0.049 0.000 1.212 211 M CA -0.423 54.929 55.300 0.087 0.000 0.910 211 M CB 2.322 34.929 32.600 0.011 0.000 1.725 211 M HN -0.138 nan 8.290 nan 0.000 0.477 212 I N 4.068 124.633 120.570 -0.009 0.000 2.499 212 I HA 0.427 4.588 4.170 -0.015 0.000 0.288 212 I C -1.061 174.738 176.117 -0.531 0.000 1.048 212 I CA -1.022 60.094 61.300 -0.308 0.000 1.062 212 I CB 2.222 39.911 38.000 -0.519 0.000 1.238 212 I HN 0.375 nan 8.210 nan 0.000 0.426 213 V N 6.758 126.298 119.914 -0.622 0.000 2.318 213 V HA 0.283 4.394 4.120 -0.015 0.000 0.271 213 V C -0.405 175.395 176.094 -0.489 0.000 1.030 213 V CA -0.369 61.609 62.300 -0.537 0.000 0.844 213 V CB 0.499 31.961 31.823 -0.601 0.000 1.015 213 V HN 0.371 nan 8.190 nan 0.000 0.460 214 F N 4.519 124.201 119.950 -0.448 0.000 2.405 214 F HA 0.291 4.809 4.527 -0.015 0.000 0.358 214 F C 0.176 175.960 175.800 -0.026 0.000 1.151 214 F CA -0.216 57.562 58.000 -0.370 0.000 1.161 214 F CB 0.504 38.933 39.000 -0.953 0.000 1.245 214 F HN 0.494 nan 8.300 nan 0.000 0.545 215 W N 4.142 125.558 121.300 0.194 0.000 2.294 215 W HA 0.278 4.929 4.660 -0.015 0.000 0.314 215 W C 0.676 177.437 176.519 0.404 0.000 1.044 215 W CA -1.153 56.403 57.345 0.352 0.000 1.284 215 W CB 1.368 31.119 29.460 0.485 0.000 1.231 215 W HN 0.529 nan 8.180 nan 0.000 0.419 216 S N 3.534 119.585 115.700 0.586 0.000 3.641 216 S HA -0.223 4.238 4.470 -0.015 0.000 0.346 216 S C -0.302 174.476 174.600 0.296 0.000 1.074 216 S CA 1.381 59.764 58.200 0.306 0.000 1.026 216 S CB -1.255 61.919 63.200 -0.043 0.000 0.908 216 S HN 0.546 nan 8.310 nan 0.000 0.479 217 S N 0.831 116.730 115.700 0.332 0.000 2.605 217 S HA 0.574 5.035 4.470 -0.015 0.000 0.308 217 S C -1.294 173.436 174.600 0.216 0.000 1.113 217 S CA -0.449 57.917 58.200 0.277 0.000 1.049 217 S CB 1.648 65.059 63.200 0.352 0.000 1.001 217 S HN 0.413 nan 8.310 nan 0.000 0.480 218 D N 5.402 125.874 120.400 0.120 0.000 2.513 218 D HA 0.413 5.044 4.640 -0.015 0.000 0.295 218 D C -1.921 174.380 176.300 0.002 0.000 1.202 218 D CA -2.058 51.974 54.000 0.053 0.000 0.849 218 D CB 1.398 42.236 40.800 0.064 0.000 1.116 218 D HN 0.216 nan 8.370 nan 0.000 0.502 219 P HA -0.176 nan 4.420 nan 0.000 0.216 219 P C 1.275 178.546 177.300 -0.048 0.000 1.157 219 P CA 1.101 64.162 63.100 -0.065 0.000 0.880 219 P CB 0.479 32.104 31.700 -0.126 0.000 0.791 220 E N -0.971 119.213 120.200 -0.027 0.000 2.058 220 E HA -0.127 4.214 4.350 -0.015 0.000 0.194 220 E C 2.026 178.669 176.600 0.073 0.000 0.997 220 E CA 1.532 57.980 56.400 0.079 0.000 0.801 220 E CB -1.332 28.405 29.700 0.062 0.000 0.746 220 E HN 0.284 nan 8.360 nan 0.000 0.450 221 T N 2.043 116.609 114.554 0.020 0.000 2.668 221 T HA -0.056 4.285 4.350 -0.015 0.000 0.262 221 T C 1.617 176.256 174.700 -0.103 0.000 1.045 221 T CA 1.128 63.204 62.100 -0.041 0.000 1.152 221 T CB -0.146 68.736 68.868 0.022 0.000 0.864 221 T HN 0.140 nan 8.240 nan 0.000 0.419 222 N N 1.090 119.742 118.700 -0.079 0.000 2.376 222 N HA -0.046 4.685 4.740 -0.015 0.000 0.177 222 N C 1.302 176.749 175.510 -0.105 0.000 1.024 222 N CA 1.104 54.096 53.050 -0.097 0.000 0.893 222 N CB -0.055 38.382 38.487 -0.083 0.000 0.980 222 N HN 0.541 nan 8.380 nan 0.000 0.439 223 S N -1.164 114.470 115.700 -0.109 0.000 3.358 223 S HA -0.246 4.216 4.470 -0.015 0.000 0.309 223 S C 1.129 175.674 174.600 -0.092 0.000 1.247 223 S CA 1.989 60.116 58.200 -0.122 0.000 0.961 223 S CB -1.999 61.084 63.200 -0.195 0.000 1.074 223 S HN 0.775 nan 8.310 nan 0.000 0.625 224 G N 1.079 109.845 108.800 -0.058 0.000 5.259 224 G HA2 -0.240 3.711 3.960 -0.015 0.000 0.288 224 G HA3 -0.240 3.711 3.960 -0.015 0.000 0.288 224 G C 0.036 174.960 174.900 0.040 0.000 1.534 224 G CA 0.106 45.181 45.100 -0.042 0.000 1.031 224 G HN 1.959 nan 8.290 nan 0.000 0.724 225 I N -1.853 118.690 120.570 -0.044 0.000 2.661 225 I HA 0.359 4.520 4.170 -0.015 0.000 0.290 225 I C 0.539 176.578 176.117 -0.131 0.000 1.734 225 I CA -0.146 61.045 61.300 -0.181 0.000 1.018 225 I CB 0.499 38.359 38.000 -0.233 0.000 1.532 225 I HN 1.158 nan 8.210 nan 0.000 0.488 226 Y N 3.207 123.535 120.300 0.046 0.000 4.851 226 Y HA -0.321 4.220 4.550 -0.015 0.000 0.235 226 Y C 1.087 176.998 175.900 0.019 0.000 0.998 226 Y CA 0.732 58.812 58.100 -0.034 0.000 1.980 226 Y CB -1.641 36.758 38.460 -0.101 0.000 1.561 226 Y HN 0.667 nan 8.280 nan 0.000 0.585 227 A N 0.393 123.265 122.820 0.086 0.000 2.610 227 A HA 0.591 4.902 4.320 -0.015 0.000 0.286 227 A C 1.679 179.272 177.584 0.015 0.000 1.306 227 A CA 0.861 52.905 52.037 0.011 0.000 0.942 227 A CB -0.747 18.160 19.000 -0.155 0.000 1.112 227 A HN 1.144 nan 8.150 nan 0.000 0.527 228 G N 0.573 109.328 108.800 -0.074 0.000 2.699 228 G HA2 -0.370 3.581 3.960 -0.015 0.000 0.347 228 G HA3 -0.370 3.581 3.960 -0.015 0.000 0.347 228 G C 0.293 174.801 174.900 -0.653 0.000 1.225 228 G CA 1.426 46.315 45.100 -0.352 0.000 0.973 228 G HN 0.776 nan 8.290 nan 0.000 0.551 229 F N 1.461 121.408 119.950 -0.005 0.000 2.810 229 F HA 0.375 4.893 4.527 -0.015 0.000 0.353 229 F C 1.639 177.419 175.800 -0.033 0.000 1.227 229 F CA -0.015 57.958 58.000 -0.044 0.000 1.210 229 F CB 1.023 39.981 39.000 -0.069 0.000 1.039 229 F HN 0.232 nan 8.300 nan 0.000 0.509 230 E N 0.348 120.605 120.200 0.094 0.000 2.130 230 E HA -0.196 4.145 4.350 -0.015 0.000 0.196 230 E C 2.200 178.811 176.600 0.019 0.000 0.998 230 E CA 1.799 58.239 56.400 0.068 0.000 0.806 230 E CB -0.187 29.519 29.700 0.010 0.000 0.738 230 E HN 0.425 nan 8.360 nan 0.000 0.459 231 S N 0.759 116.454 115.700 -0.007 0.000 2.562 231 S HA -0.037 4.424 4.470 -0.015 0.000 0.221 231 S C 1.594 176.146 174.600 -0.081 0.000 0.975 231 S CA 0.362 58.534 58.200 -0.046 0.000 0.918 231 S CB -0.150 63.012 63.200 -0.063 0.000 0.772 231 S HN 0.159 nan 8.310 nan 0.000 0.531 232 N N 2.299 120.974 118.700 -0.042 0.000 2.094 232 N HA -0.161 4.570 4.740 -0.015 0.000 0.191 232 N C 1.633 177.044 175.510 -0.165 0.000 1.023 232 N CA 1.788 54.795 53.050 -0.071 0.000 0.857 232 N CB -0.407 38.057 38.487 -0.038 0.000 1.013 232 N HN 0.624 nan 8.380 nan 0.000 0.426 233 I N 0.744 121.154 120.570 -0.266 0.000 2.493 233 I HA -0.165 3.996 4.170 -0.015 0.000 0.254 233 I C 2.265 177.871 176.117 -0.852 0.000 1.160 233 I CA 0.642 61.629 61.300 -0.522 0.000 1.445 233 I CB -0.011 37.634 38.000 -0.591 0.000 1.086 233 I HN 0.140 nan 8.210 nan 0.000 0.433 234 R N 0.185 120.337 120.500 -0.580 0.000 2.075 234 R HA -0.105 4.226 4.340 -0.015 0.000 0.232 234 R C 2.324 178.609 176.300 -0.025 0.000 1.126 234 R CA 1.187 57.100 56.100 -0.312 0.000 0.963 234 R CB -0.326 29.950 30.300 -0.040 0.000 0.858 234 R HN 0.325 nan 8.270 nan 0.000 0.435 235 R N 0.232 120.714 120.500 -0.031 0.000 2.148 235 R HA -0.110 4.222 4.340 -0.015 0.000 0.223 235 R C 2.238 178.682 176.300 0.240 0.000 1.088 235 R CA 0.972 57.154 56.100 0.138 0.000 0.985 235 R CB -0.030 30.287 30.300 0.027 0.000 0.880 235 R HN 0.106 nan 8.270 nan 0.000 0.451 236 Q N -0.048 119.791 119.800 0.065 0.000 2.079 236 Q HA -0.156 4.175 4.340 -0.015 0.000 0.200 236 Q C 1.407 177.555 176.000 0.246 0.000 0.974 236 Q CA 1.500 57.361 55.803 0.096 0.000 0.840 236 Q CB -0.063 28.661 28.738 -0.023 0.000 0.898 236 Q HN 0.282 nan 8.270 nan 0.000 0.430 237 W N 0.320 121.714 121.300 0.157 0.000 2.355 237 W HA -0.074 4.577 4.660 -0.014 0.000 0.309 237 W C 1.957 178.541 176.519 0.110 0.000 1.206 237 W CA 0.664 58.107 57.345 0.163 0.000 1.284 237 W CB -1.093 28.388 29.460 0.035 0.000 1.145 237 W HN 0.229 nan 8.180 nan 0.000 0.502 238 L N 0.319 121.759 121.223 0.362 0.000 2.012 238 L HA -0.242 4.089 4.340 -0.015 0.000 0.210 238 L C 2.560 179.531 176.870 0.168 0.000 1.073 238 L CA 1.808 56.820 54.840 0.286 0.000 0.748 238 L CB -0.964 41.354 42.059 0.432 0.000 0.891 238 L HN -0.071 nan 8.230 nan 0.000 0.431 239 K N 0.024 120.507 120.400 0.139 0.000 2.063 239 K HA -0.211 4.100 4.320 -0.015 0.000 0.208 239 K C 1.551 178.154 176.600 0.005 0.000 1.048 239 K CA 1.783 58.015 56.287 -0.093 0.000 0.928 239 K CB -0.009 32.478 32.500 -0.022 0.000 0.713 239 K HN 0.281 nan 8.250 nan 0.000 0.442 240 D N 0.585 121.059 120.400 0.124 0.000 2.312 240 D HA -0.089 4.542 4.640 -0.015 0.000 0.211 240 D C 1.528 177.904 176.300 0.126 0.000 0.964 240 D CA 0.734 54.815 54.000 0.135 0.000 0.877 240 D CB 0.154 41.083 40.800 0.215 0.000 0.924 240 D HN 0.292 nan 8.370 nan 0.000 0.515 241 L N -0.477 120.828 121.223 0.137 0.000 2.591 241 L HA 0.163 4.494 4.340 -0.015 0.000 0.228 241 L C 1.354 178.265 176.870 0.068 0.000 1.133 241 L CA 0.284 55.197 54.840 0.122 0.000 0.880 241 L CB 0.067 42.211 42.059 0.141 0.000 1.033 241 L HN 0.086 nan 8.230 nan 0.000 0.450 242 G N 0.049 108.865 108.800 0.025 0.000 2.132 242 G HA2 -0.232 3.719 3.960 -0.015 0.000 0.234 242 G HA3 -0.232 3.719 3.960 -0.015 0.000 0.234 242 G C 0.159 175.037 174.900 -0.037 0.000 0.989 242 G CA -0.066 45.029 45.100 -0.008 0.000 0.676 242 G HN 0.077 nan 8.290 nan 0.000 0.522 243 V N 1.648 121.523 119.914 -0.065 0.000 2.508 243 V HA 0.302 4.413 4.120 -0.015 0.000 0.281 243 V C 0.403 176.336 176.094 -0.269 0.000 1.041 243 V CA -0.527 61.738 62.300 -0.059 0.000 1.016 243 V CB 1.223 33.102 31.823 0.094 0.000 0.984 243 V HN 0.285 nan 8.190 nan 0.000 0.478 244 D N 4.291 124.636 120.400 -0.091 0.000 2.302 244 D HA 0.357 4.988 4.640 -0.015 0.000 0.248 244 D C -0.461 175.932 176.300 0.155 0.000 1.094 244 D CA 0.301 54.258 54.000 -0.072 0.000 0.897 244 D CB 1.063 41.872 40.800 0.015 0.000 1.200 244 D HN 0.403 nan 8.370 nan 0.000 0.429 245 F N 1.081 121.093 119.950 0.103 0.000 2.427 245 F HA 0.302 4.820 4.527 -0.015 0.000 0.348 245 F C 0.050 175.916 175.800 0.111 0.000 1.125 245 F CA -1.084 57.008 58.000 0.153 0.000 0.989 245 F CB 1.623 40.843 39.000 0.368 0.000 1.165 245 F HN -0.143 nan 8.300 nan 0.000 0.442 246 V N 4.403 124.378 119.914 0.102 0.000 2.435 246 V HA 0.372 4.483 4.120 -0.015 0.000 0.290 246 V C -0.613 175.382 176.094 -0.165 0.000 1.030 246 V CA -0.730 61.542 62.300 -0.047 0.000 0.881 246 V CB 1.715 33.394 31.823 -0.241 0.000 0.983 246 V HN 0.448 nan 8.190 nan 0.000 0.445 247 F N 4.702 124.650 119.950 -0.003 0.000 2.467 247 F HA 0.631 5.149 4.527 -0.015 0.000 0.336 247 F C 0.094 175.905 175.800 0.017 0.000 1.123 247 F CA -0.606 57.446 58.000 0.087 0.000 0.964 247 F CB 1.648 40.728 39.000 0.133 0.000 1.136 247 F HN 0.231 nan 8.300 nan 0.000 0.447 248 I N 3.693 124.317 120.570 0.090 0.000 2.390 248 I HA 0.355 4.516 4.170 -0.015 0.000 0.283 248 I C -1.199 175.020 176.117 0.169 0.000 1.016 248 I CA -0.290 60.981 61.300 -0.049 0.000 1.151 248 I CB 1.308 38.912 38.000 -0.661 0.000 1.293 248 I HN 0.460 nan 8.210 nan 0.000 0.458 249 D N 7.927 128.510 120.400 0.305 0.000 2.812 249 D HA 0.213 4.844 4.640 -0.015 0.000 0.210 249 D C -2.414 174.134 176.300 0.414 0.000 1.260 249 D CA -1.435 52.777 54.000 0.353 0.000 0.817 249 D CB 3.179 44.199 40.800 0.366 0.000 1.694 249 D HN 0.010 nan 8.370 nan 0.000 0.530 250 P HA -0.110 nan 4.420 nan 0.000 0.216 250 P C -0.027 177.543 177.300 0.450 0.000 1.150 250 P CA 1.171 64.435 63.100 0.274 0.000 0.843 250 P CB 0.012 31.829 31.700 0.194 0.000 0.787 251 H N -0.900 118.341 119.070 0.285 0.000 2.457 251 H HA 0.332 4.880 4.556 -0.014 0.000 0.335 251 H C -0.294 174.993 175.328 -0.068 0.000 1.115 251 H CA -1.092 55.014 56.048 0.096 0.000 1.219 251 H CB 0.744 30.417 29.762 -0.149 0.000 1.471 251 H HN -0.152 nan 8.280 nan 0.000 0.491 252 M N 6.160 125.171 119.600 -0.980 0.000 2.869 252 M HA -0.019 4.453 4.480 -0.015 0.000 0.299 252 M C -0.348 175.085 176.300 -1.445 0.000 1.508 252 M CA -0.390 53.913 55.300 -1.661 0.000 1.551 252 M CB -0.773 30.570 32.600 -2.095 0.000 1.384 252 M HN 0.661 nan 8.290 nan 0.000 0.491 253 N N 2.006 120.108 118.700 -0.997 0.000 2.260 253 N HA -0.081 4.650 4.740 -0.015 0.000 0.230 253 N C 0.597 175.649 175.510 -0.763 0.000 1.323 253 N CA 0.289 52.861 53.050 -0.796 0.000 0.897 253 N CB 0.270 38.583 38.487 -0.290 0.000 1.146 253 N HN 0.455 nan 8.380 nan 0.000 0.460 254 H N -1.202 117.689 119.070 -0.297 0.000 2.456 254 H HA -0.059 4.488 4.556 -0.015 0.000 0.296 254 H C 1.189 176.321 175.328 -0.327 0.000 1.079 254 H CA 1.852 57.740 56.048 -0.267 0.000 1.322 254 H CB -0.455 29.217 29.762 -0.151 0.000 1.388 254 H HN 0.638 nan 8.280 nan 0.000 0.538 255 T N 0.744 115.123 114.554 -0.290 0.000 2.812 255 T HA 0.005 4.346 4.350 -0.015 0.000 0.264 255 T C 2.392 176.616 174.700 -0.793 0.000 1.042 255 T CA 0.967 62.831 62.100 -0.393 0.000 1.140 255 T CB -0.255 68.434 68.868 -0.298 0.000 0.870 255 T HN 0.429 nan 8.240 nan 0.000 0.445 256 A N 2.121 124.196 122.820 -1.241 0.000 1.902 256 A HA -0.124 4.187 4.320 -0.015 0.000 0.217 256 A C 2.356 179.468 177.584 -0.787 0.000 1.181 256 A CA 1.311 52.417 52.037 -1.553 0.000 0.623 256 A CB -0.501 17.700 19.000 -1.332 0.000 0.818 256 A HN 0.407 nan 8.150 nan 0.000 0.443 257 R N -1.338 118.791 120.500 -0.619 0.000 2.127 257 R HA -0.096 4.235 4.340 -0.015 0.000 0.238 257 R C 1.980 178.114 176.300 -0.276 0.000 1.134 257 R CA 1.412 57.265 56.100 -0.411 0.000 0.975 257 R CB -0.391 29.708 30.300 -0.335 0.000 0.865 257 R HN 0.504 nan 8.270 nan 0.000 0.447 258 L N -0.119 120.942 121.223 -0.270 0.000 2.168 258 L HA -0.019 4.312 4.340 -0.015 0.000 0.203 258 L C 1.542 178.345 176.870 -0.111 0.000 1.078 258 L CA 1.141 55.881 54.840 -0.166 0.000 0.780 258 L CB 0.599 42.572 42.059 -0.143 0.000 0.939 258 L HN 0.041 nan 8.230 nan 0.000 0.451 259 V N -3.781 116.064 119.914 -0.116 0.000 3.276 259 V HA 0.611 4.722 4.120 -0.015 0.000 0.319 259 V C 0.702 176.915 176.094 0.198 0.000 1.476 259 V CA -0.208 62.140 62.300 0.080 0.000 1.097 259 V CB -0.712 31.283 31.823 0.286 0.000 0.988 259 V HN 0.204 nan 8.190 nan 0.000 0.473 260 A N 0.669 123.484 122.820 -0.010 0.000 2.477 260 A HA 0.399 4.710 4.320 -0.015 0.000 0.246 260 A C 0.884 178.579 177.584 0.186 0.000 1.078 260 A CA 0.612 52.757 52.037 0.181 0.000 0.770 260 A CB 0.112 19.061 19.000 -0.086 0.000 1.011 260 A HN 0.451 nan 8.150 nan 0.000 0.494 261 D N -0.083 120.471 120.400 0.256 0.000 2.338 261 D HA 0.138 4.769 4.640 -0.015 0.000 0.208 261 D C 0.158 176.542 176.300 0.140 0.000 0.997 261 D CA 1.052 55.137 54.000 0.141 0.000 0.880 261 D CB 0.438 41.300 40.800 0.104 0.000 0.980 261 D HN 0.475 nan 8.370 nan 0.000 0.509 262 K N -0.257 120.254 120.400 0.184 0.000 2.557 262 K HA 0.272 4.583 4.320 -0.015 0.000 0.257 262 K C -2.385 174.339 176.600 0.207 0.000 0.933 262 K CA -0.682 55.695 56.287 0.150 0.000 0.820 262 K CB 1.513 34.038 32.500 0.042 0.000 1.330 262 K HN -0.113 nan 8.250 nan 0.000 0.432 263 W N 6.507 127.829 121.300 0.037 0.000 2.739 263 W HA 0.659 5.309 4.660 -0.015 0.000 0.331 263 W C -1.841 174.819 176.519 0.235 0.000 1.049 263 W CA -0.988 56.392 57.345 0.058 0.000 1.234 263 W CB 0.923 30.394 29.460 0.019 0.000 1.404 263 W HN 0.317 nan 8.180 nan 0.000 0.477 264 F N 4.130 123.809 119.950 -0.451 0.000 2.469 264 F HA 0.442 4.960 4.527 -0.015 0.000 0.332 264 F C 0.329 175.625 175.800 -0.840 0.000 1.103 264 F CA -1.828 55.816 58.000 -0.593 0.000 0.979 264 F CB 1.923 40.740 39.000 -0.305 0.000 1.137 264 F HN 0.278 nan 8.300 nan 0.000 0.463 265 S N 5.704 121.021 115.700 -0.639 0.000 2.269 265 S HA 0.431 4.892 4.470 -0.015 0.000 0.194 265 S C -2.771 171.726 174.600 -0.172 0.000 1.547 265 S CA -1.490 56.467 58.200 -0.404 0.000 1.186 265 S CB 0.089 62.953 63.200 -0.561 0.000 1.069 265 S HN 0.275 nan 8.310 nan 0.000 0.473 266 P HA 0.220 nan 4.420 nan 0.000 0.275 266 P C -0.559 176.740 177.300 -0.002 0.000 1.228 266 P CA -0.468 62.618 63.100 -0.023 0.000 0.786 266 P CB 0.725 32.469 31.700 0.073 0.000 0.927 267 K N 1.854 122.235 120.400 -0.031 0.000 2.380 267 K HA 0.142 4.453 4.320 -0.015 0.000 0.267 267 K C 0.834 177.415 176.600 -0.031 0.000 0.990 267 K CA -0.396 55.871 56.287 -0.033 0.000 0.946 267 K CB -0.011 32.454 32.500 -0.059 0.000 0.937 267 K HN 0.501 nan 8.250 nan 0.000 0.491 268 I N -1.296 119.248 120.570 -0.044 0.000 2.775 268 I HA 0.037 4.198 4.170 -0.015 0.000 0.290 268 I C 0.959 176.952 176.117 -0.208 0.000 1.203 268 I CA 0.428 61.673 61.300 -0.093 0.000 1.433 268 I CB -0.172 37.780 38.000 -0.080 0.000 1.354 268 I HN 0.836 nan 8.210 nan 0.000 0.579 269 G N 3.452 111.948 108.800 -0.506 0.000 2.198 269 G HA2 -0.286 3.665 3.960 -0.015 0.000 0.260 269 G HA3 -0.286 3.665 3.960 -0.015 0.000 0.260 269 G C 0.503 175.194 174.900 -0.348 0.000 1.025 269 G CA 0.561 45.069 45.100 -0.986 0.000 0.769 269 G HN 1.383 nan 8.290 nan 0.000 0.507 270 T N -4.018 110.498 114.554 -0.063 0.000 3.111 270 T HA 0.281 4.622 4.350 -0.015 0.000 0.284 270 T C 1.213 176.167 174.700 0.423 0.000 0.983 270 T CA 0.800 63.027 62.100 0.212 0.000 0.900 270 T CB 0.378 69.284 68.868 0.062 0.000 1.132 270 T HN 0.160 nan 8.240 nan 0.000 0.531 271 D N 2.557 123.336 120.400 0.632 0.000 2.123 271 D HA -0.189 4.442 4.640 -0.015 0.000 0.196 271 D C 1.958 178.782 176.300 0.874 0.000 0.992 271 D CA 1.789 56.283 54.000 0.823 0.000 0.833 271 D CB -0.185 41.160 40.800 0.909 0.000 0.954 271 D HN 0.710 nan 8.370 nan 0.000 0.455 272 H N 0.650 120.120 119.070 0.666 0.000 2.518 272 H HA 0.127 4.674 4.556 -0.015 0.000 0.289 272 H C 1.798 177.596 175.328 0.784 0.000 1.051 272 H CA 0.977 57.395 56.048 0.615 0.000 1.280 272 H CB -0.637 29.504 29.762 0.631 0.000 1.380 272 H HN 0.066 nan 8.280 nan 0.000 0.566 273 A N 1.881 124.990 122.820 0.482 0.000 1.929 273 A HA 0.035 4.346 4.320 -0.015 0.000 0.216 273 A C 2.720 180.498 177.584 0.323 0.000 1.176 273 A CA 0.923 53.068 52.037 0.180 0.000 0.628 273 A CB -0.659 18.075 19.000 -0.443 0.000 0.816 273 A HN 0.354 nan 8.150 nan 0.000 0.444 274 L N 0.435 121.880 121.223 0.370 0.000 2.056 274 L HA -0.155 4.176 4.340 -0.015 0.000 0.207 274 L C 3.024 180.171 176.870 0.462 0.000 1.078 274 L CA 1.576 56.653 54.840 0.394 0.000 0.749 274 L CB -0.727 41.626 42.059 0.491 0.000 0.901 274 L HN 0.595 nan 8.230 nan 0.000 0.433 275 S N -0.051 115.949 115.700 0.500 0.000 2.368 275 S HA -0.181 4.281 4.470 -0.015 0.000 0.225 275 S C 1.915 176.570 174.600 0.091 0.000 1.030 275 S CA 1.052 59.381 58.200 0.215 0.000 0.999 275 S CB -0.922 62.248 63.200 -0.050 0.000 0.844 275 S HN 0.295 nan 8.310 nan 0.000 0.459 276 F N 2.328 122.456 119.950 0.296 0.000 2.186 276 F HA 0.107 4.625 4.527 -0.015 0.000 0.299 276 F C 2.895 178.742 175.800 0.079 0.000 1.090 276 F CA 0.776 58.884 58.000 0.180 0.000 1.307 276 F CB -0.515 38.578 39.000 0.155 0.000 1.019 276 F HN 0.316 nan 8.300 nan 0.000 0.489 277 A N 0.172 123.184 122.820 0.321 0.000 1.930 277 A HA -0.112 4.199 4.320 -0.015 0.000 0.217 277 A C 2.143 179.766 177.584 0.065 0.000 1.175 277 A CA 1.299 53.450 52.037 0.190 0.000 0.627 277 A CB -0.931 18.179 19.000 0.183 0.000 0.815 277 A HN 0.399 nan 8.150 nan 0.000 0.443 278 I N -0.356 120.176 120.570 -0.063 0.000 2.252 278 I HA -0.246 3.915 4.170 -0.015 0.000 0.245 278 I C 2.950 178.614 176.117 -0.756 0.000 1.102 278 I CA 1.006 62.041 61.300 -0.442 0.000 1.385 278 I CB -0.276 37.401 38.000 -0.540 0.000 1.064 278 I HN 0.350 nan 8.210 nan 0.000 0.414 279 A N 0.074 122.646 122.820 -0.414 0.000 1.902 279 A HA -0.282 4.029 4.320 -0.015 0.000 0.217 279 A C 2.287 179.844 177.584 -0.045 0.000 1.181 279 A CA 1.442 53.375 52.037 -0.173 0.000 0.623 279 A CB -1.033 18.070 19.000 0.171 0.000 0.818 279 A HN 0.525 nan 8.150 nan 0.000 0.443 280 Y N 1.350 121.569 120.300 -0.134 0.000 2.165 280 Y HA -0.216 4.326 4.550 -0.014 0.000 0.286 280 Y C 2.615 178.483 175.900 -0.054 0.000 1.155 280 Y CA 2.385 60.415 58.100 -0.117 0.000 1.164 280 Y CB -0.632 37.752 38.460 -0.126 0.000 0.978 280 Y HN 0.315 nan 8.280 nan 0.000 0.513 281 T N -0.241 114.333 114.554 0.034 0.000 2.708 281 T HA -0.207 4.134 4.350 -0.015 0.000 0.266 281 T C 1.422 176.200 174.700 0.131 0.000 1.037 281 T CA 1.659 63.781 62.100 0.037 0.000 1.146 281 T CB -0.513 68.381 68.868 0.043 0.000 0.865 281 T HN 0.472 nan 8.240 nan 0.000 0.435 282 W N 1.364 122.672 121.300 0.015 0.000 2.363 282 W HA 0.158 4.809 4.660 -0.014 0.000 0.296 282 W C 2.042 178.605 176.519 0.073 0.000 1.212 282 W CA -0.027 57.349 57.345 0.052 0.000 1.260 282 W CB -1.374 28.096 29.460 0.017 0.000 1.131 282 W HN 0.286 nan 8.180 nan 0.000 0.530 283 L N 0.160 121.477 121.223 0.157 0.000 2.056 283 L HA -0.176 4.155 4.340 -0.015 0.000 0.207 283 L C 2.579 179.463 176.870 0.022 0.000 1.078 283 L CA 1.101 55.989 54.840 0.080 0.000 0.749 283 L CB -0.799 41.205 42.059 -0.092 0.000 0.901 283 L HN -0.236 nan 8.230 nan 0.000 0.433 284 K N 0.416 120.729 120.400 -0.146 0.000 2.147 284 K HA -0.131 4.180 4.320 -0.015 0.000 0.205 284 K C 1.489 178.079 176.600 -0.017 0.000 1.049 284 K CA 1.284 57.470 56.287 -0.168 0.000 0.936 284 K CB -0.046 32.258 32.500 -0.327 0.000 0.722 284 K HN 0.438 nan 8.250 nan 0.000 0.446 285 E N 0.189 120.431 120.200 0.069 0.000 2.501 285 E HA 0.008 4.349 4.350 -0.015 0.000 0.201 285 E C -0.903 175.772 176.600 0.126 0.000 1.016 285 E CA -0.126 56.334 56.400 0.101 0.000 0.920 285 E CB 0.330 30.110 29.700 0.133 0.000 1.023 285 E HN 0.188 nan 8.360 nan 0.000 0.474 286 D N 0.724 121.233 120.400 0.182 0.000 2.708 286 D HA -0.163 4.468 4.640 -0.015 0.000 0.236 286 D C -0.418 175.946 176.300 0.107 0.000 1.146 286 D CA 1.158 55.261 54.000 0.172 0.000 0.662 286 D CB -1.365 39.464 40.800 0.048 0.000 1.059 286 D HN 0.190 nan 8.370 nan 0.000 0.428 287 S N -0.189 115.645 115.700 0.223 0.000 3.208 287 S HA 0.491 4.952 4.470 -0.015 0.000 0.195 287 S C -0.209 174.352 174.600 -0.065 0.000 1.394 287 S CA -0.874 57.358 58.200 0.053 0.000 1.127 287 S CB -0.243 62.999 63.200 0.070 0.000 1.282 287 S HN 0.466 nan 8.310 nan 0.000 0.513 288 Y N -2.347 117.824 120.300 -0.216 0.000 2.705 288 Y HA 0.636 5.178 4.550 -0.015 0.000 0.332 288 Y C -1.060 174.726 175.900 -0.189 0.000 1.221 288 Y CA -1.608 56.307 58.100 -0.308 0.000 1.059 288 Y CB 0.227 38.564 38.460 -0.206 0.000 1.298 288 Y HN 0.099 nan 8.280 nan 0.000 0.459 289 D N 1.799 122.105 120.400 -0.157 0.000 2.455 289 D HA 0.146 4.777 4.640 -0.015 0.000 0.234 289 D C 0.424 176.607 176.300 -0.195 0.000 1.224 289 D CA 0.252 54.143 54.000 -0.182 0.000 0.999 289 D CB 0.523 41.241 40.800 -0.137 0.000 1.072 289 D HN 0.700 nan 8.370 nan 0.000 0.514 290 K N 1.624 121.767 120.400 -0.428 0.000 2.057 290 K HA -0.185 4.126 4.320 -0.015 0.000 0.207 290 K C 1.449 177.966 176.600 -0.137 0.000 1.049 290 K CA 1.138 57.206 56.287 -0.364 0.000 0.931 290 K CB 0.315 32.571 32.500 -0.406 0.000 0.714 290 K HN 0.238 nan 8.250 nan 0.000 0.440 291 E N 0.181 120.320 120.200 -0.102 0.000 2.077 291 E HA -0.208 4.133 4.350 -0.015 0.000 0.193 291 E C 1.741 178.324 176.600 -0.028 0.000 0.989 291 E CA 1.227 57.592 56.400 -0.059 0.000 0.800 291 E CB -0.407 29.262 29.700 -0.052 0.000 0.746 291 E HN 0.361 nan 8.360 nan 0.000 0.452 292 Y N 0.613 120.835 120.300 -0.130 0.000 2.145 292 Y HA -0.255 4.286 4.550 -0.015 0.000 0.286 292 Y C 2.115 177.942 175.900 -0.121 0.000 1.145 292 Y CA 1.367 59.391 58.100 -0.127 0.000 1.148 292 Y CB -0.132 38.266 38.460 -0.104 0.000 0.981 292 Y HN -0.117 nan 8.280 nan 0.000 0.507 293 V N 0.354 120.352 119.914 0.139 0.000 2.343 293 V HA -0.343 3.768 4.120 -0.015 0.000 0.247 293 V C 2.620 178.648 176.094 -0.109 0.000 1.051 293 V CA 1.800 64.071 62.300 -0.048 0.000 1.036 293 V CB -1.491 30.132 31.823 -0.332 0.000 0.654 293 V HN 0.583 nan 8.190 nan 0.000 0.451 294 A N -0.385 122.387 122.820 -0.079 0.000 1.972 294 A HA -0.038 4.273 4.320 -0.015 0.000 0.219 294 A C 2.284 179.840 177.584 -0.048 0.000 1.169 294 A CA 2.075 54.088 52.037 -0.040 0.000 0.635 294 A CB -0.466 18.518 19.000 -0.028 0.000 0.810 294 A HN 0.582 nan 8.150 nan 0.000 0.446 295 A N -0.890 121.863 122.820 -0.112 0.000 1.997 295 A HA 0.074 4.385 4.320 -0.015 0.000 0.212 295 A C 1.502 178.969 177.584 -0.195 0.000 1.178 295 A CA 0.902 52.847 52.037 -0.153 0.000 0.698 295 A CB -0.032 18.839 19.000 -0.215 0.000 0.842 295 A HN 0.459 nan 8.150 nan 0.000 0.458 296 N N -0.217 118.321 118.700 -0.270 0.000 2.187 296 N HA 0.339 5.071 4.740 -0.015 0.000 0.212 296 N C -0.052 175.537 175.510 0.132 0.000 1.152 296 N CA 0.702 53.614 53.050 -0.229 0.000 0.872 296 N CB 0.850 38.869 38.487 -0.780 0.000 1.025 296 N HN 0.412 nan 8.380 nan 0.000 0.514 297 A N 0.119 123.027 122.820 0.148 0.000 2.355 297 A HA 0.580 4.891 4.320 -0.015 0.000 0.324 297 A C -1.227 176.556 177.584 0.330 0.000 1.117 297 A CA -0.451 51.773 52.037 0.312 0.000 0.785 297 A CB 1.278 20.420 19.000 0.236 0.000 1.254 297 A HN 0.322 nan 8.150 nan 0.000 0.453 298 H N -0.336 118.930 119.070 0.325 0.000 2.589 298 H HA 0.514 5.061 4.556 -0.015 0.000 0.351 298 H C 0.768 176.286 175.328 0.317 0.000 1.074 298 H CA 0.586 56.791 56.048 0.261 0.000 1.203 298 H CB 1.456 31.344 29.762 0.210 0.000 1.558 298 H HN 1.661 nan 8.280 nan 0.000 0.522 299 G N 3.588 112.187 108.800 -0.334 0.000 2.148 299 G HA2 -0.377 3.574 3.960 -0.015 0.000 0.254 299 G HA3 -0.377 3.574 3.960 -0.015 0.000 0.254 299 G C 0.765 175.707 174.900 0.069 0.000 0.981 299 G CA 0.556 45.555 45.100 -0.168 0.000 0.670 299 G HN 0.609 nan 8.290 nan 0.000 0.528 300 F N 1.237 121.129 119.950 -0.098 0.000 2.134 300 F HA 0.066 4.585 4.527 -0.015 0.000 0.299 300 F C 2.399 178.194 175.800 -0.008 0.000 1.097 300 F CA 2.377 60.244 58.000 -0.221 0.000 1.264 300 F CB 0.004 38.825 39.000 -0.299 0.000 1.001 300 F HN 0.279 nan 8.300 nan 0.000 0.479 301 E N 0.590 120.827 120.200 0.061 0.000 2.049 301 E HA -0.243 4.098 4.350 -0.015 0.000 0.198 301 E C 1.980 178.548 176.600 -0.054 0.000 1.007 301 E CA 2.048 58.453 56.400 0.008 0.000 0.809 301 E CB -0.513 29.220 29.700 0.055 0.000 0.749 301 E HN 0.457 nan 8.360 nan 0.000 0.450 302 E N -0.446 119.753 120.200 -0.003 0.000 2.077 302 E HA -0.176 4.165 4.350 -0.015 0.000 0.193 302 E C 1.702 178.330 176.600 0.047 0.000 0.989 302 E CA 1.113 57.526 56.400 0.022 0.000 0.800 302 E CB -0.392 29.337 29.700 0.050 0.000 0.746 302 E HN 0.372 nan 8.360 nan 0.000 0.452 303 W N 1.362 122.570 121.300 -0.152 0.000 2.358 303 W HA -0.140 4.511 4.660 -0.015 0.000 0.303 303 W C 2.356 178.763 176.519 -0.187 0.000 1.208 303 W CA 2.070 59.347 57.345 -0.112 0.000 1.274 303 W CB -0.460 28.923 29.460 -0.127 0.000 1.138 303 W HN 0.072 nan 8.180 nan 0.000 0.515 304 A N 0.234 122.834 122.820 -0.366 0.000 1.908 304 A HA -0.265 4.046 4.320 -0.015 0.000 0.218 304 A C 1.768 179.153 177.584 -0.333 0.000 1.181 304 A CA 2.243 53.989 52.037 -0.486 0.000 0.627 304 A CB -1.106 17.620 19.000 -0.458 0.000 0.818 304 A HN 0.318 nan 8.150 nan 0.000 0.445 305 D N -1.842 118.434 120.400 -0.206 0.000 2.144 305 D HA -0.160 4.471 4.640 -0.015 0.000 0.199 305 D C 1.650 177.834 176.300 -0.193 0.000 0.984 305 D CA 1.598 55.505 54.000 -0.155 0.000 0.834 305 D CB -0.391 40.359 40.800 -0.083 0.000 0.955 305 D HN 0.662 nan 8.370 nan 0.000 0.465 306 Y N 1.574 121.684 120.300 -0.316 0.000 2.163 306 Y HA -0.193 4.348 4.550 -0.015 0.000 0.288 306 Y C 2.178 177.785 175.900 -0.488 0.000 1.136 306 Y CA 1.066 58.947 58.100 -0.365 0.000 1.147 306 Y CB -0.318 37.927 38.460 -0.357 0.000 0.987 306 Y HN -0.220 nan 8.280 nan 0.000 0.509 307 V N 0.807 120.336 119.914 -0.643 0.000 2.407 307 V HA -0.311 3.801 4.120 -0.015 0.000 0.248 307 V C 2.318 178.164 176.094 -0.413 0.000 1.055 307 V CA 1.926 63.837 62.300 -0.648 0.000 1.049 307 V CB -0.748 30.703 31.823 -0.620 0.000 0.662 307 V HN 0.448 nan 8.190 nan 0.000 0.455 308 L N 0.291 121.332 121.223 -0.303 0.000 2.551 308 L HA 0.171 4.502 4.340 -0.015 0.000 0.228 308 L C 1.813 178.563 176.870 -0.199 0.000 1.153 308 L CA 0.945 55.709 54.840 -0.126 0.000 0.851 308 L CB -0.605 41.366 42.059 -0.146 0.000 0.959 308 L HN 0.587 nan 8.230 nan 0.000 0.451 309 G N -0.046 108.515 108.800 -0.400 0.000 2.157 309 G HA2 -0.295 3.656 3.960 -0.015 0.000 0.248 309 G HA3 -0.295 3.656 3.960 -0.015 0.000 0.248 309 G C 0.952 175.686 174.900 -0.276 0.000 0.979 309 G CA 0.411 45.261 45.100 -0.416 0.000 0.650 309 G HN 0.363 nan 8.290 nan 0.000 0.529 310 K N -0.143 120.127 120.400 -0.217 0.000 2.217 310 K HA -0.001 4.310 4.320 -0.015 0.000 0.202 310 K C 2.722 179.255 176.600 -0.112 0.000 1.051 310 K CA 1.751 57.955 56.287 -0.138 0.000 0.952 310 K CB -0.107 32.330 32.500 -0.105 0.000 0.736 310 K HN 0.607 nan 8.250 nan 0.000 0.453 311 T N -0.765 113.717 114.554 -0.120 0.000 3.033 311 T HA -0.051 4.290 4.350 -0.015 0.000 0.248 311 T C 1.325 175.992 174.700 -0.055 0.000 1.040 311 T CA 0.860 62.932 62.100 -0.046 0.000 1.133 311 T CB 0.041 68.940 68.868 0.052 0.000 0.895 311 T HN 0.146 nan 8.240 nan 0.000 0.465 312 D N 0.304 120.625 120.400 -0.132 0.000 2.431 312 D HA 0.271 4.902 4.640 -0.015 0.000 0.213 312 D C 1.553 177.754 176.300 -0.166 0.000 1.130 312 D CA 0.324 54.251 54.000 -0.121 0.000 0.834 312 D CB -0.457 40.276 40.800 -0.111 0.000 0.985 312 D HN 0.599 nan 8.370 nan 0.000 0.504 313 G N -0.038 108.649 108.800 -0.188 0.000 2.155 313 G HA2 -0.249 3.702 3.960 -0.015 0.000 0.257 313 G HA3 -0.249 3.702 3.960 -0.015 0.000 0.257 313 G C 0.151 174.911 174.900 -0.233 0.000 0.983 313 G CA 0.644 45.640 45.100 -0.174 0.000 0.676 313 G HN 0.444 nan 8.290 nan 0.000 0.528 314 T N 2.099 116.439 114.554 -0.356 0.000 2.977 314 T HA 0.507 4.849 4.350 -0.015 0.000 0.346 314 T C -2.636 171.654 174.700 -0.683 0.000 1.140 314 T CA -0.970 60.842 62.100 -0.480 0.000 1.040 314 T CB 2.445 71.000 68.868 -0.521 0.000 1.046 314 T HN 0.040 nan 8.240 nan 0.000 0.494 315 P HA 0.126 nan 4.420 nan 0.000 0.267 315 P C -0.011 176.690 177.300 -0.999 0.000 1.205 315 P CA -0.498 62.228 63.100 -0.623 0.000 0.765 315 P CB 0.496 31.958 31.700 -0.397 0.000 0.828 316 K N 2.505 122.224 120.400 -1.135 0.000 2.737 316 K HA 0.113 4.424 4.320 -0.015 0.000 0.251 316 K C 0.626 176.691 176.600 -0.891 0.000 1.280 316 K CA 0.139 55.686 56.287 -1.233 0.000 1.219 316 K CB -1.238 30.687 32.500 -0.959 0.000 1.587 316 K HN 0.486 nan 8.250 nan 0.000 0.279 317 T N -3.273 110.787 114.554 -0.824 0.000 2.766 317 T HA 0.033 4.374 4.350 -0.015 0.000 0.295 317 T C 1.629 176.292 174.700 -0.062 0.000 1.024 317 T CA -0.576 61.178 62.100 -0.575 0.000 1.018 317 T CB 0.847 69.493 68.868 -0.370 0.000 1.002 317 T HN 0.389 nan 8.240 nan 0.000 0.532 318 C N 0.815 120.106 119.300 -0.014 0.000 2.432 318 C HA 0.033 4.484 4.460 -0.015 0.000 0.280 318 C C 2.777 177.754 174.990 -0.021 0.000 1.353 318 C CA 0.450 59.478 59.018 0.017 0.000 1.766 318 C CB -1.447 26.307 27.740 0.025 0.000 1.924 318 C HN 0.976 nan 8.230 nan 0.000 0.509 319 E N -0.174 120.015 120.200 -0.018 0.000 2.047 319 E HA -0.193 4.148 4.350 -0.015 0.000 0.191 319 E C 1.656 178.233 176.600 -0.038 0.000 0.987 319 E CA 1.182 57.560 56.400 -0.036 0.000 0.799 319 E CB -0.393 29.293 29.700 -0.024 0.000 0.752 319 E HN 0.838 nan 8.360 nan 0.000 0.449 320 W N 1.458 122.637 121.300 -0.201 0.000 2.338 320 W HA -0.184 4.468 4.660 -0.014 0.000 0.304 320 W C 2.181 178.572 176.519 -0.212 0.000 1.212 320 W CA 2.231 59.442 57.345 -0.222 0.000 1.264 320 W CB -0.407 28.871 29.460 -0.303 0.000 1.142 320 W HN 0.047 nan 8.180 nan 0.000 0.512 321 A N 0.140 122.762 122.820 -0.330 0.000 1.933 321 A HA -0.237 4.074 4.320 -0.015 0.000 0.218 321 A C 2.027 179.356 177.584 -0.425 0.000 1.175 321 A CA 1.867 53.562 52.037 -0.569 0.000 0.628 321 A CB -1.035 17.873 19.000 -0.153 0.000 0.814 321 A HN 0.570 nan 8.150 nan 0.000 0.444 322 E N -0.297 119.735 120.200 -0.280 0.000 2.106 322 E HA -0.232 4.109 4.350 -0.015 0.000 0.192 322 E C 1.984 178.431 176.600 -0.254 0.000 0.984 322 E CA 1.220 57.478 56.400 -0.236 0.000 0.806 322 E CB -0.148 29.448 29.700 -0.174 0.000 0.750 322 E HN 0.759 nan 8.360 nan 0.000 0.458 323 E N -0.076 119.953 120.200 -0.285 0.000 2.153 323 E HA -0.203 4.138 4.350 -0.015 0.000 0.194 323 E C 1.836 178.251 176.600 -0.309 0.000 0.988 323 E CA 0.977 57.221 56.400 -0.260 0.000 0.811 323 E CB 0.201 29.760 29.700 -0.234 0.000 0.746 323 E HN 0.227 nan 8.360 nan 0.000 0.466 324 E N -0.015 119.908 120.200 -0.462 0.000 2.051 324 E HA -0.095 4.246 4.350 -0.015 0.000 0.189 324 E C 2.224 178.676 176.600 -0.246 0.000 0.979 324 E CA 1.440 57.601 56.400 -0.399 0.000 0.803 324 E CB -0.033 29.276 29.700 -0.651 0.000 0.761 324 E HN 0.287 nan 8.360 nan 0.000 0.451 325 S N -1.454 114.097 115.700 -0.248 0.000 2.492 325 S HA 0.226 4.687 4.470 -0.015 0.000 0.218 325 S C 1.670 176.177 174.600 -0.155 0.000 1.016 325 S CA 0.833 58.939 58.200 -0.156 0.000 0.916 325 S CB 0.781 63.907 63.200 -0.122 0.000 0.791 325 S HN 0.308 nan 8.310 nan 0.000 0.513 326 G N 0.587 109.278 108.800 -0.182 0.000 2.195 326 G HA2 -0.232 3.719 3.960 -0.015 0.000 0.246 326 G HA3 -0.232 3.719 3.960 -0.015 0.000 0.246 326 G C 0.047 174.824 174.900 -0.204 0.000 0.984 326 G CA 0.036 45.035 45.100 -0.169 0.000 0.633 326 G HN 0.722 nan 8.290 nan 0.000 0.525 327 V N 2.556 122.323 119.914 -0.245 0.000 2.488 327 V HA 0.393 4.504 4.120 -0.015 0.000 0.277 327 V C -1.506 174.395 176.094 -0.320 0.000 1.046 327 V CA -1.369 60.722 62.300 -0.348 0.000 0.986 327 V CB 1.302 32.854 31.823 -0.452 0.000 0.989 327 V HN 0.102 nan 8.190 nan 0.000 0.475 328 P HA -0.007 nan 4.420 nan 0.000 0.261 328 P C 0.630 177.804 177.300 -0.211 0.000 1.173 328 P CA 0.418 63.386 63.100 -0.220 0.000 0.760 328 P CB 0.660 32.248 31.700 -0.188 0.000 0.783 329 A N 4.034 126.770 122.820 -0.140 0.000 1.908 329 A HA -0.269 4.042 4.320 -0.015 0.000 0.218 329 A C 2.214 179.762 177.584 -0.060 0.000 1.181 329 A CA 2.110 54.090 52.037 -0.095 0.000 0.627 329 A CB -1.834 17.129 19.000 -0.061 0.000 0.818 329 A HN 0.755 nan 8.150 nan 0.000 0.445 330 C N -0.656 118.615 119.300 -0.049 0.000 2.413 330 C HA -0.096 4.355 4.460 -0.015 0.000 0.277 330 C C 2.251 177.244 174.990 0.006 0.000 1.265 330 C CA 1.132 60.145 59.018 -0.008 0.000 1.752 330 C CB -1.560 26.178 27.740 -0.003 0.000 1.998 330 C HN 0.658 nan 8.230 nan 0.000 0.489 331 E N 1.173 121.340 120.200 -0.055 0.000 2.107 331 E HA -0.041 4.300 4.350 -0.015 0.000 0.191 331 E C 2.165 178.788 176.600 0.039 0.000 0.982 331 E CA 1.261 57.651 56.400 -0.015 0.000 0.809 331 E CB -0.208 29.366 29.700 -0.211 0.000 0.756 331 E HN 0.725 nan 8.360 nan 0.000 0.459 332 I N 0.981 121.488 120.570 -0.104 0.000 2.179 332 I HA -0.277 3.884 4.170 -0.015 0.000 0.242 332 I C 2.782 178.972 176.117 0.122 0.000 1.088 332 I CA 1.103 62.411 61.300 0.013 0.000 1.357 332 I CB -0.249 37.721 38.000 -0.050 0.000 1.051 332 I HN 0.020 nan 8.210 nan 0.000 0.409 333 R N 1.140 121.692 120.500 0.088 0.000 2.081 333 R HA -0.161 4.170 4.340 -0.015 0.000 0.235 333 R C 2.387 178.787 176.300 0.167 0.000 1.131 333 R CA 1.507 57.678 56.100 0.119 0.000 0.960 333 R CB -0.222 30.135 30.300 0.096 0.000 0.856 333 R HN 0.357 nan 8.270 nan 0.000 0.436 334 A N 1.100 124.020 122.820 0.167 0.000 1.902 334 A HA -0.174 4.137 4.320 -0.015 0.000 0.217 334 A C 2.014 179.749 177.584 0.251 0.000 1.181 334 A CA 1.296 53.447 52.037 0.190 0.000 0.623 334 A CB -0.616 18.487 19.000 0.171 0.000 0.818 334 A HN 0.390 nan 8.150 nan 0.000 0.443 335 L N -0.132 121.275 121.223 0.306 0.000 1.994 335 L HA -0.070 4.262 4.340 -0.015 0.000 0.208 335 L C 2.683 179.834 176.870 0.468 0.000 1.071 335 L CA 2.337 57.395 54.840 0.365 0.000 0.745 335 L CB -0.981 41.333 42.059 0.424 0.000 0.892 335 L HN 0.348 nan 8.230 nan 0.000 0.431 336 A N -0.257 122.800 122.820 0.396 0.000 1.892 336 A HA -0.276 4.035 4.320 -0.015 0.000 0.218 336 A C 2.437 180.397 177.584 0.627 0.000 1.188 336 A CA 2.207 54.485 52.037 0.402 0.000 0.631 336 A CB -0.647 18.391 19.000 0.063 0.000 0.822 336 A HN 0.544 nan 8.150 nan 0.000 0.447 337 R N -1.404 119.345 120.500 0.415 0.000 2.081 337 R HA -0.161 4.171 4.340 -0.015 0.000 0.235 337 R C 2.534 179.034 176.300 0.333 0.000 1.131 337 R CA 1.661 57.973 56.100 0.354 0.000 0.960 337 R CB -0.275 30.168 30.300 0.238 0.000 0.856 337 R HN 0.659 nan 8.270 nan 0.000 0.436 338 Q N -0.014 119.983 119.800 0.328 0.000 2.079 338 Q HA -0.176 4.156 4.340 -0.015 0.000 0.200 338 Q C 1.660 177.871 176.000 0.352 0.000 0.974 338 Q CA 1.333 57.300 55.803 0.275 0.000 0.840 338 Q CB -0.251 28.621 28.738 0.223 0.000 0.898 338 Q HN 0.387 nan 8.270 nan 0.000 0.430 339 W N 0.551 122.007 121.300 0.259 0.000 2.338 339 W HA -0.154 4.497 4.660 -0.015 0.000 0.304 339 W C 1.954 178.558 176.519 0.141 0.000 1.212 339 W CA 2.141 59.654 57.345 0.280 0.000 1.264 339 W CB -0.926 28.852 29.460 0.531 0.000 1.142 339 W HN 0.296 nan 8.180 nan 0.000 0.512 340 A N 1.018 124.072 122.820 0.390 0.000 1.933 340 A HA -0.235 4.077 4.320 -0.015 0.000 0.218 340 A C 2.050 179.637 177.584 0.005 0.000 1.175 340 A CA 2.497 54.495 52.037 -0.065 0.000 0.628 340 A CB -0.763 18.142 19.000 -0.158 0.000 0.814 340 A HN 0.492 nan 8.150 nan 0.000 0.444 341 K N -1.639 118.820 120.400 0.098 0.000 2.356 341 K HA 0.131 4.442 4.320 -0.015 0.000 0.195 341 K C 0.099 176.740 176.600 0.068 0.000 1.037 341 K CA 0.167 56.493 56.287 0.065 0.000 1.014 341 K CB 0.195 32.741 32.500 0.076 0.000 0.815 341 K HN 0.057 nan 8.250 nan 0.000 0.507 342 K N 1.678 122.139 120.400 0.102 0.000 2.123 342 K HA 0.233 4.544 4.320 -0.015 0.000 0.248 342 K C -0.657 175.985 176.600 0.070 0.000 0.969 342 K CA -0.896 55.443 56.287 0.086 0.000 0.882 342 K CB 0.935 33.493 32.500 0.097 0.000 1.080 342 K HN -0.040 nan 8.250 nan 0.000 0.441 343 N N 1.693 120.431 118.700 0.062 0.000 2.400 343 N HA 0.069 4.800 4.740 -0.015 0.000 0.267 343 N C -0.815 174.717 175.510 0.037 0.000 1.208 343 N CA 0.400 53.467 53.050 0.028 0.000 0.951 343 N CB 0.165 38.707 38.487 0.092 0.000 1.227 343 N HN 0.283 nan 8.380 nan 0.000 0.488 344 T N 2.547 117.074 114.554 -0.045 0.000 2.797 344 T HA 0.368 4.709 4.350 -0.015 0.000 0.279 344 T C -0.388 174.204 174.700 -0.181 0.000 0.991 344 T CA -0.375 61.669 62.100 -0.093 0.000 0.979 344 T CB 0.606 69.319 68.868 -0.258 0.000 0.943 344 T HN 0.185 nan 8.240 nan 0.000 0.444 345 Y N 1.843 122.100 120.300 -0.071 0.000 2.360 345 Y HA 0.553 5.095 4.550 -0.015 0.000 0.337 345 Y C -0.071 175.740 175.900 -0.149 0.000 1.039 345 Y CA -1.364 56.737 58.100 0.002 0.000 1.109 345 Y CB 1.195 39.744 38.460 0.148 0.000 1.201 345 Y HN 0.414 nan 8.280 nan 0.000 0.458 346 L N 3.829 125.115 121.223 0.105 0.000 2.259 346 L HA 0.639 4.970 4.340 -0.015 0.000 0.288 346 L C -0.006 176.882 176.870 0.029 0.000 1.051 346 L CA -0.597 54.279 54.840 0.060 0.000 0.824 346 L CB 0.211 42.457 42.059 0.311 0.000 1.206 346 L HN 0.692 nan 8.230 nan 0.000 0.429 347 A N 5.517 128.243 122.820 -0.156 0.000 3.004 347 A HA 0.687 4.998 4.320 -0.015 0.000 0.286 347 A C 0.484 178.134 177.584 0.110 0.000 1.632 347 A CA 0.002 51.937 52.037 -0.171 0.000 1.339 347 A CB -0.740 17.903 19.000 -0.595 0.000 1.136 347 A HN 0.941 nan 8.150 nan 0.000 0.577 348 A N 1.816 124.752 122.820 0.193 0.000 2.302 348 A HA 0.656 4.967 4.320 -0.015 0.000 0.295 348 A C 0.994 178.826 177.584 0.415 0.000 1.235 348 A CA 0.471 52.744 52.037 0.394 0.000 0.876 348 A CB -0.572 18.579 19.000 0.253 0.000 1.133 348 A HN 2.557 nan 8.150 nan 0.000 0.533 349 G N 1.413 110.552 108.800 0.565 0.000 2.758 349 G HA2 0.190 4.141 3.960 -0.015 0.000 0.686 349 G HA3 0.190 4.141 3.960 -0.015 0.000 0.686 349 G C 0.819 175.845 174.900 0.209 0.000 1.389 349 G CA -0.126 45.222 45.100 0.413 0.000 0.845 349 G HN 1.699 nan 8.290 nan 0.000 0.572 350 G N -0.998 107.898 108.800 0.160 0.000 2.623 350 G HA2 0.302 4.253 3.960 -0.015 0.000 0.214 350 G HA3 0.302 4.253 3.960 -0.015 0.000 0.214 350 G C 1.652 176.540 174.900 -0.021 0.000 1.138 350 G CA 1.643 46.787 45.100 0.074 0.000 0.794 350 G HN 1.307 nan 8.290 nan 0.000 0.535 351 L N -0.283 120.892 121.223 -0.080 0.000 2.515 351 L HA 0.501 4.832 4.340 -0.015 0.000 0.223 351 L C 1.104 177.772 176.870 -0.337 0.000 1.079 351 L CA 1.335 55.996 54.840 -0.299 0.000 0.857 351 L CB 0.404 42.042 42.059 -0.701 0.000 1.050 351 L HN 0.283 nan 8.230 nan 0.000 0.476 352 G N -0.557 108.078 108.800 -0.276 0.000 2.943 352 G HA2 0.414 4.365 3.960 -0.015 0.000 0.250 352 G HA3 0.414 4.365 3.960 -0.015 0.000 0.250 352 G C 0.253 174.854 174.900 -0.498 0.000 0.996 352 G CA -0.277 44.660 45.100 -0.272 0.000 1.248 352 G HN 1.119 nan 8.290 nan 0.000 0.589 353 G N -0.018 108.468 108.800 -0.523 0.000 2.384 353 G HA2 0.474 4.425 3.960 -0.015 0.000 0.668 353 G HA3 0.474 4.425 3.960 -0.015 0.000 0.668 353 G C 0.318 174.992 174.900 -0.377 0.000 1.280 353 G CA 0.468 44.920 45.100 -1.080 0.000 0.992 353 G HN 2.030 nan 8.290 nan 0.000 0.512 354 W N -1.933 119.069 121.300 -0.496 0.000 2.962 354 W HA 0.331 4.983 4.660 -0.014 0.000 0.227 354 W C 1.279 178.043 176.519 0.408 0.000 0.611 354 W CA 2.136 59.476 57.345 -0.009 0.000 0.492 354 W CB -1.500 27.820 29.460 -0.233 0.000 2.512 354 W HN 3.035 nan 8.180 nan 0.000 0.399 355 G N -1.112 107.939 108.800 0.418 0.000 2.906 355 G HA2 0.478 4.429 3.960 -0.015 0.000 0.686 355 G HA3 0.478 4.429 3.960 -0.015 0.000 0.686 355 G C 0.407 175.320 174.900 0.022 0.000 1.170 355 G CA 0.510 45.759 45.100 0.248 0.000 0.775 355 G HN 1.751 nan 8.290 nan 0.000 0.630 356 G N 0.653 109.407 108.800 -0.078 0.000 2.450 356 G HA2 0.221 4.173 3.960 -0.015 0.000 0.220 356 G HA3 0.221 4.173 3.960 -0.015 0.000 0.220 356 G C 2.065 176.871 174.900 -0.156 0.000 1.130 356 G CA 2.418 47.470 45.100 -0.079 0.000 0.760 356 G HN 2.059 nan 8.290 nan 0.000 0.557 357 A N 0.417 122.984 122.820 -0.420 0.000 2.019 357 A HA -0.118 4.193 4.320 -0.015 0.000 0.219 357 A C 2.606 179.896 177.584 -0.489 0.000 1.164 357 A CA 1.913 53.546 52.037 -0.673 0.000 0.644 357 A CB -1.000 16.992 19.000 -1.679 0.000 0.805 357 A HN 0.961 nan 8.150 nan 0.000 0.449 358 C N -0.172 119.022 119.300 -0.176 0.000 2.481 358 C HA 0.190 4.641 4.460 -0.015 0.000 0.275 358 C C 1.500 176.537 174.990 0.078 0.000 1.419 358 C CA 0.253 59.338 59.018 0.110 0.000 1.773 358 C CB -1.144 26.853 27.740 0.429 0.000 1.862 358 C HN 0.602 nan 8.230 nan 0.000 0.530 359 R N 1.019 121.545 120.500 0.043 0.000 3.050 359 R HA 0.737 5.068 4.340 -0.015 0.000 0.275 359 R C -0.475 175.840 176.300 0.025 0.000 1.373 359 R CA 0.282 56.424 56.100 0.070 0.000 1.612 359 R CB 0.176 30.529 30.300 0.088 0.000 1.218 359 R HN 0.452 nan 8.270 nan 0.000 0.621 360 A N 0.580 123.396 122.820 -0.006 0.000 2.602 360 A HA 0.378 4.690 4.320 -0.015 0.000 0.290 360 A C 0.671 178.193 177.584 -0.103 0.000 1.114 360 A CA -0.419 51.601 52.037 -0.029 0.000 0.683 360 A CB 1.214 20.266 19.000 0.086 0.000 1.281 360 A HN 0.415 nan 8.150 nan 0.000 0.416 361 S N 0.242 115.728 115.700 -0.356 0.000 2.440 361 S HA -0.215 4.247 4.470 -0.015 0.000 0.238 361 S C 1.119 175.547 174.600 -0.287 0.000 1.010 361 S CA 1.945 59.704 58.200 -0.736 0.000 0.972 361 S CB -0.600 61.524 63.200 -1.793 0.000 0.774 361 S HN 1.202 nan 8.310 nan 0.000 0.501 362 H N -0.427 118.463 119.070 -0.300 0.000 2.594 362 H HA 0.450 4.997 4.556 -0.015 0.000 0.279 362 H C 1.672 176.888 175.328 -0.186 0.000 1.042 362 H CA 0.042 55.919 56.048 -0.285 0.000 1.177 362 H CB -1.008 28.541 29.762 -0.356 0.000 1.524 362 H HN 0.343 nan 8.280 nan 0.000 0.537 363 G N 1.882 110.497 108.800 -0.308 0.000 2.503 363 G HA2 -0.246 3.705 3.960 -0.015 0.000 0.221 363 G HA3 -0.246 3.705 3.960 -0.015 0.000 0.221 363 G C 1.673 176.484 174.900 -0.149 0.000 1.131 363 G CA 1.181 46.137 45.100 -0.240 0.000 0.756 363 G HN 0.433 nan 8.290 nan 0.000 0.572 364 I N 0.384 120.909 120.570 -0.075 0.000 2.202 364 I HA -0.101 4.061 4.170 -0.015 0.000 0.242 364 I C 2.619 178.648 176.117 -0.145 0.000 1.091 364 I CA 1.054 62.322 61.300 -0.053 0.000 1.368 364 I CB -0.145 37.896 38.000 0.068 0.000 1.058 364 I HN 0.087 nan 8.210 nan 0.000 0.410 365 E N -0.192 119.949 120.200 -0.099 0.000 2.208 365 E HA -0.234 4.108 4.350 -0.015 0.000 0.193 365 E C 1.642 178.166 176.600 -0.127 0.000 0.988 365 E CA 0.834 57.235 56.400 0.001 0.000 0.828 365 E CB -0.383 29.407 29.700 0.152 0.000 0.763 365 E HN 0.601 nan 8.360 nan 0.000 0.478 366 W N 1.943 122.987 121.300 -0.427 0.000 2.379 366 W HA -0.094 4.557 4.660 -0.014 0.000 0.307 366 W C 2.330 178.450 176.519 -0.665 0.000 1.200 366 W CA 2.223 59.286 57.345 -0.469 0.000 1.297 366 W CB -0.436 28.685 29.460 -0.565 0.000 1.140 366 W HN 0.035 nan 8.180 nan 0.000 0.507 367 A N 0.831 123.051 122.820 -1.000 0.000 1.877 367 A HA -0.164 4.147 4.320 -0.015 0.000 0.216 367 A C 2.086 178.853 177.584 -1.361 0.000 1.186 367 A CA 1.753 52.749 52.037 -1.734 0.000 0.620 367 A CB -0.795 17.154 19.000 -1.752 0.000 0.822 367 A HN 0.369 nan 8.150 nan 0.000 0.443 368 R N -0.913 118.991 120.500 -0.993 0.000 2.120 368 R HA -0.103 4.228 4.340 -0.015 0.000 0.234 368 R C 2.296 177.842 176.300 -1.256 0.000 1.123 368 R CA 1.028 56.491 56.100 -1.062 0.000 0.975 368 R CB -0.504 29.240 30.300 -0.927 0.000 0.866 368 R HN 0.551 nan 8.270 nan 0.000 0.446 369 G N 0.677 108.838 108.800 -1.065 0.000 2.403 369 G HA2 -0.197 3.754 3.960 -0.015 0.000 0.216 369 G HA3 -0.197 3.754 3.960 -0.015 0.000 0.216 369 G C 1.424 175.904 174.900 -0.700 0.000 1.154 369 G CA 0.228 44.908 45.100 -0.699 0.000 0.784 369 G HN 0.053 nan 8.290 nan 0.000 0.538 370 M N 0.411 119.436 119.600 -0.959 0.000 2.132 370 M HA 0.113 4.584 4.480 -0.015 0.000 0.263 370 M C 2.587 178.579 176.300 -0.514 0.000 1.065 370 M CA 0.878 55.718 55.300 -0.767 0.000 1.122 370 M CB -0.925 31.092 32.600 -0.973 0.000 1.365 370 M HN 0.229 nan 8.290 nan 0.000 0.411 371 I N 0.095 120.228 120.570 -0.729 0.000 2.252 371 I HA -0.223 3.938 4.170 -0.015 0.000 0.245 371 I C 2.634 178.466 176.117 -0.474 0.000 1.102 371 I CA 1.032 61.900 61.300 -0.721 0.000 1.385 371 I CB -0.618 36.697 38.000 -1.141 0.000 1.064 371 I HN 0.194 nan 8.210 nan 0.000 0.414 372 A N 0.884 123.373 122.820 -0.551 0.000 1.877 372 A HA -0.188 4.124 4.320 -0.015 0.000 0.216 372 A C 2.149 179.743 177.584 0.017 0.000 1.186 372 A CA 1.580 53.422 52.037 -0.324 0.000 0.620 372 A CB -0.729 18.068 19.000 -0.339 0.000 0.822 372 A HN 0.281 nan 8.150 nan 0.000 0.443 373 L N -0.490 120.716 121.223 -0.028 0.000 2.056 373 L HA -0.066 4.265 4.340 -0.015 0.000 0.207 373 L C 2.963 179.949 176.870 0.193 0.000 1.078 373 L CA 1.863 56.777 54.840 0.122 0.000 0.749 373 L CB -1.029 40.985 42.059 -0.076 0.000 0.901 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 A N -1.706 121.192 122.820 0.131 0.000 1.969 374 A HA -0.168 4.143 4.320 -0.015 0.000 0.218 374 A C 2.350 179.982 177.584 0.080 0.000 1.169 374 A CA 2.102 54.234 52.037 0.159 0.000 0.635 374 A CB -0.858 18.237 19.000 0.158 0.000 0.810 374 A HN 0.423 nan 8.150 nan 0.000 0.445 375 T N -0.044 114.573 114.554 0.106 0.000 2.777 375 T HA -0.095 4.246 4.350 -0.015 0.000 0.266 375 T C 1.913 176.655 174.700 0.070 0.000 1.040 375 T CA 1.657 63.861 62.100 0.173 0.000 1.141 375 T CB -0.287 68.762 68.868 0.302 0.000 0.868 375 T HN 0.432 nan 8.240 nan 0.000 0.444 376 M N 0.793 120.472 119.600 0.133 0.000 2.279 376 M HA -0.048 4.423 4.480 -0.015 0.000 0.264 376 M C 1.890 178.149 176.300 -0.068 0.000 1.062 376 M CA 1.136 56.498 55.300 0.104 0.000 1.099 376 M CB -0.115 32.627 32.600 0.237 0.000 1.394 376 M HN 0.054 nan 8.290 nan 0.000 0.426 377 Q N -0.223 119.465 119.800 -0.188 0.000 2.320 377 Q HA 0.178 4.509 4.340 -0.015 0.000 0.201 377 Q C 0.750 176.533 176.000 -0.361 0.000 0.910 377 Q CA 0.503 56.132 55.803 -0.291 0.000 0.946 377 Q CB 0.473 29.086 28.738 -0.207 0.000 1.062 377 Q HN 0.654 nan 8.270 nan 0.000 0.503 378 G N 2.614 111.020 108.800 -0.656 0.000 2.291 378 G HA2 -0.276 3.675 3.960 -0.015 0.000 0.271 378 G HA3 -0.276 3.675 3.960 -0.015 0.000 0.271 378 G C 0.255 174.698 174.900 -0.761 0.000 1.099 378 G CA 0.411 44.743 45.100 -1.280 0.000 0.919 378 G HN 0.437 nan 8.290 nan 0.000 0.496 379 M N -1.013 118.323 119.600 -0.441 0.000 2.261 379 M HA 0.440 4.912 4.480 -0.015 0.000 0.350 379 M C 1.416 177.758 176.300 0.070 0.000 1.343 379 M CA 1.533 56.789 55.300 -0.073 0.000 1.003 379 M CB 0.704 33.364 32.600 0.100 0.000 1.848 379 M HN 1.646 nan 8.290 nan 0.000 0.456 380 G N 2.526 111.356 108.800 0.050 0.000 2.316 380 G HA2 -0.202 3.749 3.960 -0.015 0.000 0.203 380 G HA3 -0.202 3.749 3.960 -0.015 0.000 0.203 380 G C -0.054 174.875 174.900 0.048 0.000 0.999 380 G CA 0.066 45.216 45.100 0.084 0.000 0.649 380 G HN 1.012 nan 8.290 nan 0.000 0.489 381 K N 1.020 121.421 120.400 0.001 0.000 2.098 381 K HA 0.633 4.944 4.320 -0.015 0.000 0.257 381 K C -2.904 173.651 176.600 -0.075 0.000 0.999 381 K CA -1.852 54.416 56.287 -0.030 0.000 0.924 381 K CB 1.386 33.856 32.500 -0.050 0.000 1.028 381 K HN 0.006 nan 8.250 nan 0.000 0.466 382 P HA -0.035 nan 4.420 nan 0.000 0.262 382 P C 0.385 177.547 177.300 -0.231 0.000 1.182 382 P CA 1.298 64.277 63.100 -0.201 0.000 0.761 382 P CB 0.468 31.897 31.700 -0.451 0.000 0.795 383 G N 1.713 110.478 108.800 -0.058 0.000 2.159 383 G HA2 -0.210 3.741 3.960 -0.015 0.000 0.256 383 G HA3 -0.210 3.741 3.960 -0.015 0.000 0.256 383 G C 0.220 174.828 174.900 -0.487 0.000 0.977 383 G CA 0.205 45.252 45.100 -0.089 0.000 0.652 383 G HN 0.787 nan 8.290 nan 0.000 0.531 384 S N -0.174 115.199 115.700 -0.545 0.000 2.706 384 S HA 0.660 5.121 4.470 -0.015 0.000 0.270 384 S C -0.855 173.532 174.600 -0.355 0.000 1.163 384 S CA -0.045 57.857 58.200 -0.497 0.000 1.042 384 S CB 1.057 64.100 63.200 -0.261 0.000 1.079 384 S HN 0.711 nan 8.310 nan 0.000 0.474 385 N N 2.529 121.032 118.700 -0.329 0.000 3.356 385 N HA 0.295 5.026 4.740 -0.015 0.000 0.246 385 N C -1.851 173.772 175.510 0.188 0.000 1.480 385 N CA -0.530 52.532 53.050 0.019 0.000 0.877 385 N CB 1.444 40.020 38.487 0.148 0.000 1.431 385 N HN 0.659 nan 8.380 nan 0.000 0.500 386 M N 1.559 121.295 119.600 0.226 0.000 2.080 386 M HA 0.400 4.871 4.480 -0.015 0.000 0.350 386 M C -1.670 174.809 176.300 0.300 0.000 1.173 386 M CA -0.471 54.966 55.300 0.229 0.000 1.052 386 M CB 0.559 33.270 32.600 0.184 0.000 1.577 386 M HN 0.516 nan 8.290 nan 0.000 0.455 387 W N 3.495 124.828 121.300 0.055 0.000 3.326 387 W HA 0.372 5.023 4.660 -0.014 0.000 0.333 387 W C -1.081 175.374 176.519 -0.106 0.000 1.108 387 W CA -0.608 56.719 57.345 -0.028 0.000 1.245 387 W CB 1.479 30.937 29.460 -0.003 0.000 1.331 387 W HN 0.527 nan 8.180 nan 0.000 0.464 388 S N 2.450 117.901 115.700 -0.415 0.000 2.597 388 S HA 0.027 4.488 4.470 -0.015 0.000 0.224 388 S C 1.457 175.642 174.600 -0.692 0.000 0.955 388 S CA 0.939 58.867 58.200 -0.454 0.000 0.933 388 S CB -0.082 63.008 63.200 -0.183 0.000 0.788 388 S HN 1.033 nan 8.310 nan 0.000 0.488 389 T N -1.396 112.207 114.554 -1.584 0.000 7.578 389 T HA -0.292 4.050 4.350 -0.015 0.000 0.299 389 T C 1.152 175.583 174.700 -0.449 0.000 2.097 389 T CA 2.031 63.284 62.100 -1.412 0.000 3.248 389 T CB -2.680 65.644 68.868 -0.907 0.000 2.014 389 T HN 0.573 nan 8.240 nan 0.000 1.198 390 T N -2.237 112.140 114.554 -0.295 0.000 3.010 390 T HA 0.318 4.659 4.350 -0.015 0.000 0.252 390 T C 1.040 175.716 174.700 -0.040 0.000 1.047 390 T CA 0.474 62.496 62.100 -0.130 0.000 1.140 390 T CB 0.184 68.968 68.868 -0.139 0.000 0.885 390 T HN 0.786 nan 8.240 nan 0.000 0.464 391 Q N 0.086 119.900 119.800 0.023 0.000 2.448 391 Q HA 0.545 4.876 4.340 -0.015 0.000 0.192 391 Q C 0.954 177.062 176.000 0.181 0.000 1.001 391 Q CA -0.352 55.462 55.803 0.019 0.000 1.018 391 Q CB 0.791 29.458 28.738 -0.119 0.000 1.290 391 Q HN 0.449 nan 8.270 nan 0.000 0.517 392 G N -0.628 108.183 108.800 0.019 0.000 2.176 392 G HA2 -0.233 3.718 3.960 -0.015 0.000 0.253 392 G HA3 -0.233 3.718 3.960 -0.015 0.000 0.253 392 G C 0.044 174.915 174.900 -0.049 0.000 0.979 392 G CA 0.108 45.193 45.100 -0.024 0.000 0.641 392 G HN 0.327 nan 8.290 nan 0.000 0.530 393 V N 2.571 122.453 119.914 -0.054 0.000 2.673 393 V HA 0.271 4.382 4.120 -0.015 0.000 0.303 393 V C -0.491 175.433 176.094 -0.283 0.000 1.046 393 V CA -0.146 62.000 62.300 -0.255 0.000 1.126 393 V CB 1.131 32.843 31.823 -0.184 0.000 0.934 393 V HN 0.268 nan 8.190 nan 0.000 0.487 394 P HA 0.125 nan 4.420 nan 0.000 0.249 394 P C -0.071 176.938 177.300 -0.486 0.000 1.686 394 P CA 0.055 62.851 63.100 -0.506 0.000 0.873 394 P CB -0.062 31.365 31.700 -0.456 0.000 1.828 395 L N -0.109 120.901 121.223 -0.354 0.000 2.475 395 L HA 0.236 4.567 4.340 -0.015 0.000 0.253 395 L C 1.151 177.900 176.870 -0.203 0.000 1.198 395 L CA -0.432 54.350 54.840 -0.097 0.000 0.814 395 L CB 0.010 42.208 42.059 0.231 0.000 1.134 395 L HN -0.048 nan 8.230 nan 0.000 0.478 396 D N -0.280 120.137 120.400 0.029 0.000 2.398 396 D HA 0.009 4.640 4.640 -0.015 0.000 0.250 396 D C 0.781 177.273 176.300 0.320 0.000 1.287 396 D CA 0.354 54.408 54.000 0.091 0.000 0.992 396 D CB -0.003 40.888 40.800 0.152 0.000 1.071 396 D HN 0.297 nan 8.370 nan 0.000 0.514 397 Y N 1.220 121.727 120.300 0.345 0.000 2.569 397 Y HA -0.093 4.448 4.550 -0.015 0.000 0.293 397 Y C 1.897 178.010 175.900 0.356 0.000 1.144 397 Y CA 0.203 58.558 58.100 0.425 0.000 1.321 397 Y CB 0.266 38.917 38.460 0.318 0.000 0.982 397 Y HN 0.396 nan 8.280 nan 0.000 0.558 398 E N -0.040 120.407 120.200 0.412 0.000 2.371 398 E HA -0.088 4.253 4.350 -0.015 0.000 0.194 398 E C -0.041 176.772 176.600 0.355 0.000 1.012 398 E CA -0.079 56.513 56.400 0.321 0.000 0.860 398 E CB 0.053 29.889 29.700 0.227 0.000 0.811 398 E HN 0.203 nan 8.360 nan 0.000 0.502 399 F N 1.420 121.523 119.950 0.255 0.000 2.456 399 F HA 0.127 4.645 4.527 -0.015 0.000 0.358 399 F C -0.442 175.532 175.800 0.289 0.000 1.095 399 F CA -0.781 57.367 58.000 0.248 0.000 1.216 399 F CB 0.347 39.481 39.000 0.224 0.000 1.125 399 F HN -0.163 nan 8.300 nan 0.000 0.549 400 Y N 7.859 127.862 120.300 -0.495 0.000 2.328 400 Y HA 0.499 5.040 4.550 -0.015 0.000 0.337 400 Y C -1.870 173.808 175.900 -0.369 0.000 1.008 400 Y CA -1.483 56.449 58.100 -0.280 0.000 1.129 400 Y CB 0.774 39.146 38.460 -0.147 0.000 1.185 400 Y HN 0.551 nan 8.280 nan 0.000 0.476 401 F N 8.896 128.256 119.950 -0.983 0.000 2.607 401 F HA 0.545 5.063 4.527 -0.015 0.000 0.322 401 F C -2.762 172.594 175.800 -0.740 0.000 1.176 401 F CA -2.483 55.050 58.000 -0.778 0.000 0.977 401 F CB 1.674 40.522 39.000 -0.252 0.000 1.242 401 F HN 0.383 nan 8.300 nan 0.000 0.465 402 P HA 0.288 nan 4.420 nan 0.000 0.271 402 P C -0.186 176.938 177.300 -0.293 0.000 1.218 402 P CA -0.036 62.661 63.100 -0.671 0.000 0.780 402 P CB 0.861 31.889 31.700 -1.121 0.000 0.901 403 G N 0.942 109.630 108.800 -0.186 0.000 2.502 403 G HA2 0.277 4.228 3.960 -0.015 0.000 0.305 403 G HA3 0.277 4.228 3.960 -0.015 0.000 0.305 403 G C 0.255 174.924 174.900 -0.385 0.000 1.190 403 G CA -0.571 44.392 45.100 -0.229 0.000 0.933 403 G HN 0.563 nan 8.290 nan 0.000 0.503 404 Y N -1.261 118.778 120.300 -0.434 0.000 2.333 404 Y HA 0.061 4.602 4.550 -0.015 0.000 0.290 404 Y C 2.425 177.987 175.900 -0.563 0.000 1.144 404 Y CA 0.963 58.695 58.100 -0.614 0.000 1.228 404 Y CB -0.787 36.922 38.460 -1.253 0.000 0.985 404 Y HN 0.343 nan 8.280 nan 0.000 0.542 405 A N 0.932 123.248 122.820 -0.840 0.000 2.172 405 A HA -0.100 4.211 4.320 -0.015 0.000 0.216 405 A C 1.725 179.161 177.584 -0.248 0.000 1.154 405 A CA 1.032 52.659 52.037 -0.683 0.000 0.701 405 A CB -0.723 17.735 19.000 -0.903 0.000 0.789 405 A HN 0.654 nan 8.150 nan 0.000 0.465 406 E N -1.063 119.042 120.200 -0.159 0.000 2.416 406 E HA 0.254 4.596 4.350 -0.015 0.000 0.189 406 E C 1.272 177.978 176.600 0.176 0.000 1.091 406 E CA 0.214 56.647 56.400 0.054 0.000 0.889 406 E CB -0.232 29.493 29.700 0.042 0.000 1.015 406 E HN 0.698 nan 8.360 nan 0.000 0.479 407 G N 0.698 109.615 108.800 0.194 0.000 2.267 407 G HA2 -0.395 3.556 3.960 -0.015 0.000 0.257 407 G HA3 -0.395 3.556 3.960 -0.015 0.000 0.257 407 G C 0.934 176.036 174.900 0.337 0.000 0.998 407 G CA 0.059 45.349 45.100 0.318 0.000 0.620 407 G HN 0.716 nan 8.290 nan 0.000 0.529 408 G N 0.775 109.779 108.800 0.340 0.000 2.660 408 G HA2 -0.297 3.654 3.960 -0.015 0.000 0.321 408 G HA3 -0.297 3.654 3.960 -0.015 0.000 0.321 408 G C 1.368 176.548 174.900 0.466 0.000 1.246 408 G CA 2.482 47.868 45.100 0.477 0.000 1.000 408 G HN 2.010 nan 8.290 nan 0.000 0.550 409 I N 0.104 120.787 120.570 0.188 0.000 3.684 409 I HA 0.309 4.470 4.170 -0.015 0.000 0.304 409 I C 2.258 178.455 176.117 0.134 0.000 1.278 409 I CA 1.596 62.882 61.300 -0.023 0.000 1.272 409 I CB 0.057 37.553 38.000 -0.840 0.000 1.029 409 I HN 0.500 nan 8.210 nan 0.000 0.458 410 S N 1.047 116.871 115.700 0.206 0.000 2.421 410 S HA 0.190 4.651 4.470 -0.015 0.000 0.224 410 S C 1.930 176.563 174.600 0.055 0.000 1.035 410 S CA 0.617 58.902 58.200 0.142 0.000 0.953 410 S CB -0.582 62.741 63.200 0.205 0.000 0.810 410 S HN 0.748 nan 8.310 nan 0.000 0.497 411 G N 1.792 110.691 108.800 0.165 0.000 2.166 411 G HA2 -0.274 3.677 3.960 -0.015 0.000 0.260 411 G HA3 -0.274 3.677 3.960 -0.015 0.000 0.260 411 G C -0.166 174.652 174.900 -0.137 0.000 0.986 411 G CA 0.402 45.475 45.100 -0.045 0.000 0.683 411 G HN 0.678 nan 8.290 nan 0.000 0.527 412 D N 0.034 120.404 120.400 -0.051 0.000 2.346 412 D HA 0.249 4.881 4.640 -0.015 0.000 0.267 412 D C 1.511 177.766 176.300 -0.075 0.000 1.320 412 D CA -0.031 53.899 54.000 -0.118 0.000 0.951 412 D CB -0.092 40.589 40.800 -0.197 0.000 1.079 412 D HN 0.191 nan 8.370 nan 0.000 0.509 413 C N 2.932 122.170 119.300 -0.102 0.000 2.522 413 C HA 0.003 4.454 4.460 -0.015 0.000 0.271 413 C C 2.072 177.058 174.990 -0.007 0.000 1.425 413 C CA 0.012 59.000 59.018 -0.050 0.000 1.751 413 C CB -0.825 26.863 27.740 -0.087 0.000 1.775 413 C HN 0.732 nan 8.230 nan 0.000 0.557 414 E N 0.502 120.666 120.200 -0.060 0.000 2.431 414 E HA 0.045 4.386 4.350 -0.015 0.000 0.200 414 E C 1.255 177.816 176.600 -0.065 0.000 0.995 414 E CA 0.417 56.787 56.400 -0.049 0.000 0.915 414 E CB 0.116 29.762 29.700 -0.090 0.000 0.930 414 E HN 0.537 nan 8.360 nan 0.000 0.496 415 N N 0.386 119.004 118.700 -0.137 0.000 2.177 415 N HA 0.066 4.798 4.740 -0.015 0.000 0.218 415 N C -0.487 175.105 175.510 0.137 0.000 1.182 415 N CA 0.426 53.384 53.050 -0.153 0.000 0.882 415 N CB 1.533 39.617 38.487 -0.672 0.000 1.052 415 N HN 0.103 nan 8.380 nan 0.000 0.519 416 S N -1.172 114.643 115.700 0.192 0.000 2.705 416 S HA 0.671 5.132 4.470 -0.015 0.000 0.280 416 S C -0.319 174.435 174.600 0.257 0.000 1.174 416 S CA -0.638 57.766 58.200 0.339 0.000 0.823 416 S CB 1.744 65.161 63.200 0.362 0.000 1.162 416 S HN -0.046 nan 8.310 nan 0.000 0.487 417 A N -0.053 122.914 122.820 0.244 0.000 2.462 417 A HA 0.713 5.024 4.320 -0.015 0.000 0.261 417 A C 1.685 179.458 177.584 0.314 0.000 1.323 417 A CA 0.350 52.566 52.037 0.298 0.000 0.913 417 A CB -1.274 17.910 19.000 0.308 0.000 1.028 417 A HN 1.358 nan 8.150 nan 0.000 0.511 418 A N -0.191 122.768 122.820 0.232 0.000 1.972 418 A HA 0.071 4.382 4.320 -0.015 0.000 0.219 418 A C 2.166 179.775 177.584 0.041 0.000 1.169 418 A CA 1.690 53.843 52.037 0.194 0.000 0.635 418 A CB -0.839 18.254 19.000 0.155 0.000 0.810 418 A HN 0.780 nan 8.150 nan 0.000 0.446 419 G N -1.830 106.999 108.800 0.049 0.000 2.509 419 G HA2 -0.120 3.832 3.960 -0.015 0.000 0.218 419 G HA3 -0.120 3.832 3.960 -0.015 0.000 0.218 419 G C 1.263 176.319 174.900 0.260 0.000 1.124 419 G CA 0.901 46.018 45.100 0.029 0.000 0.776 419 G HN 0.492 nan 8.290 nan 0.000 0.547 420 F N 0.362 120.350 119.950 0.063 0.000 2.128 420 F HA 0.179 4.697 4.527 -0.015 0.000 0.295 420 F C 2.205 177.962 175.800 -0.071 0.000 1.100 420 F CA 2.037 59.971 58.000 -0.110 0.000 1.260 420 F CB 0.275 38.954 39.000 -0.535 0.000 1.009 420 F HN 0.141 nan 8.300 nan 0.000 0.476 421 K N -3.035 117.362 120.400 -0.005 0.000 2.929 421 K HA -0.038 4.274 4.320 -0.015 0.000 0.188 421 K C 1.802 178.435 176.600 0.056 0.000 1.654 421 K CA 0.146 56.386 56.287 -0.079 0.000 1.349 421 K CB -0.828 31.422 32.500 -0.417 0.000 1.879 421 K HN 0.090 nan 8.250 nan 0.000 0.626 422 F N 2.764 122.718 119.950 0.008 0.000 2.095 422 F HA -0.072 4.446 4.527 -0.015 0.000 0.298 422 F C 1.996 177.726 175.800 -0.117 0.000 1.104 422 F CA 2.066 60.063 58.000 -0.005 0.000 1.232 422 F CB -0.463 38.566 39.000 0.048 0.000 0.987 422 F HN 0.174 nan 8.300 nan 0.000 0.475 423 A N -0.290 122.356 122.820 -0.290 0.000 1.917 423 A HA -0.267 4.044 4.320 -0.015 0.000 0.219 423 A C 2.087 179.403 177.584 -0.448 0.000 1.182 423 A CA 1.951 53.747 52.037 -0.402 0.000 0.633 423 A CB -1.836 16.783 19.000 -0.634 0.000 0.819 423 A HN 0.661 nan 8.150 nan 0.000 0.448 424 W N -0.724 120.495 121.300 -0.134 0.000 2.525 424 W HA 0.015 4.666 4.660 -0.015 0.000 0.259 424 W C 2.447 178.827 176.519 -0.232 0.000 1.253 424 W CA 0.773 58.019 57.345 -0.164 0.000 1.262 424 W CB -0.067 29.277 29.460 -0.193 0.000 1.122 424 W HN 0.233 nan 8.180 nan 0.000 0.607 425 R N -0.898 119.486 120.500 -0.194 0.000 2.128 425 R HA 0.060 4.391 4.340 -0.015 0.000 0.211 425 R C 2.038 178.055 176.300 -0.473 0.000 1.067 425 R CA 0.858 56.787 56.100 -0.285 0.000 1.010 425 R CB -0.503 29.640 30.300 -0.263 0.000 0.922 425 R HN 0.117 nan 8.270 nan 0.000 0.457 426 M N 0.117 119.218 119.600 -0.831 0.000 2.200 426 M HA 0.048 4.519 4.480 -0.015 0.000 0.265 426 M C -0.308 175.415 176.300 -0.961 0.000 1.066 426 M CA 1.595 56.258 55.300 -1.062 0.000 1.127 426 M CB 0.307 31.917 32.600 -1.651 0.000 1.379 426 M HN -0.175 nan 8.290 nan 0.000 0.420 427 F N 0.177 119.930 119.950 -0.328 0.000 2.470 427 F HA 0.311 4.829 4.527 -0.015 0.000 0.329 427 F C 0.732 176.389 175.800 -0.239 0.000 1.072 427 F CA -0.875 56.966 58.000 -0.266 0.000 0.989 427 F CB 0.925 39.773 39.000 -0.254 0.000 1.193 427 F HN 0.161 nan 8.300 nan 0.000 0.481 428 D N -0.961 119.369 120.400 -0.116 0.000 2.500 428 D HA 0.176 4.807 4.640 -0.015 0.000 0.217 428 D C 1.405 177.604 176.300 -0.169 0.000 1.159 428 D CA 0.237 54.154 54.000 -0.137 0.000 0.828 428 D CB 0.293 40.999 40.800 -0.157 0.000 1.039 428 D HN 0.778 nan 8.370 nan 0.000 0.512 429 G N 0.793 109.416 108.800 -0.294 0.000 2.203 429 G HA2 -0.389 3.562 3.960 -0.015 0.000 0.263 429 G HA3 -0.389 3.562 3.960 -0.015 0.000 0.263 429 G C 0.815 175.607 174.900 -0.181 0.000 1.012 429 G CA 1.145 46.107 45.100 -0.230 0.000 0.749 429 G HN 0.494 nan 8.290 nan 0.000 0.512 430 K N -2.303 117.874 120.400 -0.372 0.000 2.625 430 K HA 0.143 4.455 4.320 -0.015 0.000 0.202 430 K C 2.421 178.994 176.600 -0.046 0.000 1.412 430 K CA 0.887 57.120 56.287 -0.090 0.000 0.989 430 K CB 0.067 32.528 32.500 -0.065 0.000 1.682 430 K HN 0.347 nan 8.250 nan 0.000 0.496 431 T N -1.973 112.460 114.554 -0.202 0.000 2.978 431 T HA 0.081 4.422 4.350 -0.015 0.000 0.248 431 T C 0.770 175.437 174.700 -0.055 0.000 1.018 431 T CA 0.168 62.242 62.100 -0.043 0.000 1.026 431 T CB 0.602 69.433 68.868 -0.062 0.000 1.032 431 T HN 0.014 nan 8.240 nan 0.000 0.485 432 T N 1.053 115.418 114.554 -0.314 0.000 2.861 432 T HA 0.668 5.009 4.350 -0.015 0.000 0.287 432 T C -1.960 172.609 174.700 -0.219 0.000 1.003 432 T CA -0.790 61.270 62.100 -0.066 0.000 0.977 432 T CB 0.746 69.602 68.868 -0.020 0.000 0.996 432 T HN 0.169 nan 8.240 nan 0.000 0.448 433 F N 4.007 124.143 119.950 0.310 0.000 2.588 433 F HA 0.616 5.134 4.527 -0.015 0.000 0.314 433 F C -2.217 173.476 175.800 -0.178 0.000 1.069 433 F CA -2.324 55.731 58.000 0.092 0.000 0.931 433 F CB 1.590 40.596 39.000 0.011 0.000 1.260 433 F HN 0.367 nan 8.300 nan 0.000 0.465 434 P HA 0.209 nan 4.420 nan 0.000 0.277 434 P C -0.950 176.200 177.300 -0.250 0.000 1.271 434 P CA -0.605 62.008 63.100 -0.812 0.000 0.795 434 P CB 0.940 32.037 31.700 -1.005 0.000 1.101 435 S N 0.673 116.261 115.700 -0.187 0.000 2.532 435 S HA 0.496 4.958 4.470 -0.015 0.000 0.256 435 S C -2.686 171.842 174.600 -0.120 0.000 1.298 435 S CA -1.769 56.377 58.200 -0.090 0.000 1.166 435 S CB -0.431 62.759 63.200 -0.016 0.000 1.022 435 S HN 0.139 nan 8.310 nan 0.000 0.480 436 P HA 0.375 nan 4.420 nan 0.000 0.279 436 P C -0.965 176.265 177.300 -0.116 0.000 1.252 436 P CA -0.578 62.442 63.100 -0.133 0.000 0.811 436 P CB 1.188 32.818 31.700 -0.117 0.000 1.035 437 S N 0.947 116.566 115.700 -0.136 0.000 2.519 437 S HA 0.307 4.768 4.470 -0.015 0.000 0.309 437 S C 0.715 175.253 174.600 -0.103 0.000 1.100 437 S CA -0.690 57.440 58.200 -0.116 0.000 1.059 437 S CB -0.047 63.060 63.200 -0.156 0.000 1.008 437 S HN 0.460 nan 8.310 nan 0.000 0.478 438 N N 5.447 124.110 118.700 -0.062 0.000 2.322 438 N HA 0.104 4.835 4.740 -0.015 0.000 0.194 438 N C 0.838 176.329 175.510 -0.030 0.000 1.126 438 N CA 0.138 53.169 53.050 -0.031 0.000 0.845 438 N CB -0.090 38.400 38.487 0.005 0.000 0.976 438 N HN 0.591 nan 8.380 nan 0.000 0.475 439 L N -0.838 120.326 121.223 -0.098 0.000 2.467 439 L HA 0.202 4.533 4.340 -0.015 0.000 0.213 439 L C 0.429 177.149 176.870 -0.251 0.000 1.053 439 L CA 0.073 54.808 54.840 -0.174 0.000 0.847 439 L CB -0.090 41.853 42.059 -0.193 0.000 1.075 439 L HN 0.023 nan 8.230 nan 0.000 0.479 440 N N 1.224 119.742 118.700 -0.303 0.000 3.245 440 N HA 0.064 4.795 4.740 -0.015 0.000 0.296 440 N C -0.635 174.744 175.510 -0.218 0.000 1.254 440 N CA 0.355 53.215 53.050 -0.318 0.000 1.190 440 N CB 0.049 38.245 38.487 -0.486 0.000 1.460 440 N HN 0.023 nan 8.380 nan 0.000 0.538 441 T N -1.103 113.368 114.554 -0.140 0.000 2.843 441 T HA 0.261 4.602 4.350 -0.015 0.000 0.302 441 T C 0.929 175.619 174.700 -0.017 0.000 1.232 441 T CA -0.478 61.568 62.100 -0.091 0.000 1.009 441 T CB 0.933 69.762 68.868 -0.065 0.000 1.254 441 T HN 0.107 nan 8.240 nan 0.000 0.504 442 S N 1.244 116.951 115.700 0.012 0.000 2.387 442 S HA -0.089 4.373 4.470 -0.015 0.000 0.230 442 S C 2.055 176.782 174.600 0.211 0.000 1.035 442 S CA 1.615 59.916 58.200 0.169 0.000 1.014 442 S CB -0.438 62.800 63.200 0.062 0.000 0.836 442 S HN 0.806 nan 8.310 nan 0.000 0.466 443 A N 0.702 123.587 122.820 0.108 0.000 2.208 443 A HA 0.438 4.749 4.320 -0.015 0.000 0.209 443 A C 1.422 179.123 177.584 0.193 0.000 1.161 443 A CA 0.834 52.953 52.037 0.136 0.000 0.782 443 A CB -0.475 18.579 19.000 0.090 0.000 0.816 443 A HN 0.487 nan 8.150 nan 0.000 0.477 444 G N -0.929 107.937 108.800 0.111 0.000 3.329 444 G HA2 0.452 4.403 3.960 -0.015 0.000 0.180 444 G HA3 0.452 4.403 3.960 -0.015 0.000 0.180 444 G C -0.168 174.604 174.900 -0.213 0.000 1.640 444 G CA 0.021 45.086 45.100 -0.058 0.000 1.018 444 G HN 0.415 nan 8.290 nan 0.000 0.581 445 Q N -0.464 119.108 119.800 -0.380 0.000 2.315 445 Q HA 0.444 4.775 4.340 -0.015 0.000 0.273 445 Q C -1.544 174.465 176.000 0.015 0.000 1.053 445 Q CA -0.914 54.786 55.803 -0.171 0.000 0.817 445 Q CB 1.792 30.310 28.738 -0.367 0.000 1.326 445 Q HN 0.914 nan 8.270 nan 0.000 0.423 446 H N 3.152 122.266 119.070 0.073 0.000 2.990 446 H HA 0.688 5.235 4.556 -0.015 0.000 0.336 446 H C -1.339 174.074 175.328 0.141 0.000 1.306 446 H CA -0.830 55.245 56.048 0.045 0.000 1.118 446 H CB 1.324 31.096 29.762 0.018 0.000 1.856 446 H HN 0.743 nan 8.280 nan 0.000 0.538 447 I N -2.028 118.376 120.570 -0.277 0.000 2.969 447 I HA 0.581 4.742 4.170 -0.015 0.000 0.307 447 I C -3.232 172.545 176.117 -0.566 0.000 1.149 447 I CA -2.905 58.017 61.300 -0.630 0.000 1.008 447 I CB 2.958 40.577 38.000 -0.635 0.000 1.232 447 I HN 0.179 nan 8.210 nan 0.000 0.435 448 P HA 0.253 nan 4.420 nan 0.000 0.276 448 P C 0.099 177.196 177.300 -0.338 0.000 1.235 448 P CA -0.351 62.455 63.100 -0.490 0.000 0.772 448 P CB 1.096 32.452 31.700 -0.574 0.000 0.871 449 R N 3.563 123.962 120.500 -0.168 0.000 2.091 449 R HA -0.123 4.208 4.340 -0.015 0.000 0.238 449 R C 1.519 177.725 176.300 -0.157 0.000 1.136 449 R CA 1.557 57.573 56.100 -0.140 0.000 0.959 449 R CB -0.671 29.577 30.300 -0.086 0.000 0.856 449 R HN 0.438 nan 8.270 nan 0.000 0.437 450 L N 0.360 121.512 121.223 -0.118 0.000 2.353 450 L HA -0.094 4.237 4.340 -0.015 0.000 0.220 450 L C 1.212 177.913 176.870 -0.282 0.000 1.133 450 L CA 0.990 55.773 54.840 -0.095 0.000 0.798 450 L CB -0.016 42.061 42.059 0.030 0.000 0.922 450 L HN 0.065 nan 8.230 nan 0.000 0.445 451 K N -0.469 119.657 120.400 -0.458 0.000 2.592 451 K HA 0.305 4.616 4.320 -0.015 0.000 0.203 451 K C 1.362 177.507 176.600 -0.758 0.000 1.070 451 K CA -0.035 55.802 56.287 -0.749 0.000 1.062 451 K CB 0.750 32.528 32.500 -1.202 0.000 0.814 451 K HN 0.200 nan 8.250 nan 0.000 0.502 452 I N 1.657 121.854 120.570 -0.621 0.000 2.208 452 I HA -0.220 3.941 4.170 -0.015 0.000 0.245 452 I C -0.857 174.858 176.117 -0.671 0.000 1.097 452 I CA 1.445 62.373 61.300 -0.620 0.000 1.363 452 I CB -1.120 36.601 38.000 -0.466 0.000 1.051 452 I HN 0.038 nan 8.210 nan 0.000 0.413 453 P HA -0.174 nan 4.420 nan 0.000 0.215 453 P C 1.264 178.246 177.300 -0.529 0.000 1.157 453 P CA 1.448 64.142 63.100 -0.676 0.000 0.874 453 P CB 0.031 31.256 31.700 -0.791 0.000 0.790 454 E N -1.264 118.609 120.200 -0.545 0.000 2.106 454 E HA -0.125 4.216 4.350 -0.015 0.000 0.192 454 E C 2.106 178.499 176.600 -0.344 0.000 0.984 454 E CA 0.946 57.093 56.400 -0.421 0.000 0.806 454 E CB -1.452 27.951 29.700 -0.494 0.000 0.750 454 E HN 0.234 nan 8.360 nan 0.000 0.458 455 C N 0.200 119.224 119.300 -0.461 0.000 2.446 455 C HA -0.030 4.421 4.460 -0.015 0.000 0.277 455 C C 2.524 177.352 174.990 -0.270 0.000 1.275 455 C CA 0.338 59.127 59.018 -0.380 0.000 1.727 455 C CB -0.786 26.462 27.740 -0.821 0.000 2.010 455 C HN 0.381 nan 8.230 nan 0.000 0.486 456 I N 0.254 120.585 120.570 -0.398 0.000 2.233 456 I HA -0.198 3.963 4.170 -0.015 0.000 0.243 456 I C 2.477 178.268 176.117 -0.542 0.000 1.093 456 I CA 1.627 62.702 61.300 -0.375 0.000 1.380 456 I CB -0.333 37.423 38.000 -0.406 0.000 1.067 456 I HN 0.326 nan 8.210 nan 0.000 0.413 457 M N -0.213 119.053 119.600 -0.556 0.000 2.334 457 M HA 0.036 4.507 4.480 -0.015 0.000 0.266 457 M C 2.099 178.191 176.300 -0.347 0.000 1.082 457 M CA 1.439 56.331 55.300 -0.679 0.000 1.141 457 M CB -0.368 32.023 32.600 -0.347 0.000 1.380 457 M HN 0.281 nan 8.290 nan 0.000 0.440 458 G N -0.887 107.795 108.800 -0.196 0.000 2.719 458 G HA2 0.271 4.222 3.960 -0.015 0.000 0.211 458 G HA3 0.271 4.222 3.960 -0.015 0.000 0.211 458 G C 1.161 176.072 174.900 0.018 0.000 1.140 458 G CA 0.517 45.586 45.100 -0.051 0.000 0.790 458 G HN 0.570 nan 8.290 nan 0.000 0.529 459 G N -0.517 108.308 108.800 0.041 0.000 2.153 459 G HA2 -0.263 3.688 3.960 -0.015 0.000 0.252 459 G HA3 -0.263 3.688 3.960 -0.015 0.000 0.252 459 G C 0.098 175.116 174.900 0.197 0.000 0.994 459 G CA 0.990 46.177 45.100 0.145 0.000 0.698 459 G HN 0.851 nan 8.290 nan 0.000 0.521 460 K N -1.630 118.950 120.400 0.301 0.000 2.598 460 K HA 0.675 4.986 4.320 -0.015 0.000 0.271 460 K C -2.009 174.895 176.600 0.507 0.000 0.947 460 K CA -0.975 55.516 56.287 0.340 0.000 0.854 460 K CB 1.289 33.886 32.500 0.161 0.000 1.401 460 K HN 0.442 nan 8.250 nan 0.000 0.415 461 F N 1.244 121.407 119.950 0.354 0.000 2.744 461 F HA 0.392 4.910 4.527 -0.015 0.000 0.311 461 F C -1.861 174.235 175.800 0.494 0.000 1.144 461 F CA -0.421 57.796 58.000 0.363 0.000 0.938 461 F CB 2.019 41.197 39.000 0.296 0.000 1.292 461 F HN 0.424 nan 8.300 nan 0.000 0.444 462 Q N 3.130 122.793 119.800 -0.229 0.000 2.315 462 Q HA 0.510 4.842 4.340 -0.015 0.000 0.273 462 Q C -1.932 174.053 176.000 -0.026 0.000 1.053 462 Q CA -0.395 55.364 55.803 -0.072 0.000 0.817 462 Q CB 2.944 31.613 28.738 -0.114 0.000 1.326 462 Q HN 0.793 nan 8.270 nan 0.000 0.423 463 W N 0.852 122.169 121.300 0.028 0.000 2.874 463 W HA 0.725 5.376 4.660 -0.015 0.000 0.403 463 W C -1.547 175.165 176.519 0.322 0.000 1.144 463 W CA -0.752 56.694 57.345 0.168 0.000 1.175 463 W CB 0.382 30.039 29.460 0.329 0.000 1.483 463 W HN 0.333 nan 8.180 nan 0.000 0.591 464 S N 1.138 117.173 115.700 0.558 0.000 2.472 464 S HA 0.751 5.212 4.470 -0.015 0.000 0.303 464 S C 0.064 175.142 174.600 0.796 0.000 1.099 464 S CA 0.131 58.643 58.200 0.520 0.000 1.077 464 S CB 0.914 64.387 63.200 0.454 0.000 1.031 464 S HN 1.653 nan 8.310 nan 0.000 0.487 465 G N 1.936 111.218 108.800 0.803 0.000 2.785 465 G HA2 -0.160 3.791 3.960 -0.015 0.000 0.685 465 G HA3 -0.160 3.791 3.960 -0.015 0.000 0.685 465 G C -0.822 174.451 174.900 0.621 0.000 1.480 465 G CA -0.671 44.895 45.100 0.777 0.000 0.915 465 G HN 0.746 nan 8.290 nan 0.000 0.576 466 K N 1.479 122.040 120.400 0.268 0.000 2.449 466 K HA 0.574 4.885 4.320 -0.015 0.000 0.257 466 K C 1.367 177.970 176.600 0.005 0.000 0.989 466 K CA 0.528 56.740 56.287 -0.125 0.000 0.916 466 K CB 0.459 32.594 32.500 -0.607 0.000 1.136 466 K HN 2.365 nan 8.250 nan 0.000 0.439 467 G N 3.394 112.256 108.800 0.104 0.000 2.652 467 G HA2 -0.339 3.612 3.960 -0.015 0.000 0.318 467 G HA3 -0.339 3.612 3.960 -0.015 0.000 0.318 467 G C -0.467 174.603 174.900 0.284 0.000 1.295 467 G CA 0.121 45.313 45.100 0.153 0.000 0.999 467 G HN 0.538 nan 8.290 nan 0.000 0.548 468 F N 2.448 122.366 119.950 -0.054 0.000 2.434 468 F HA 0.568 5.086 4.527 -0.015 0.000 0.358 468 F C 1.209 177.012 175.800 0.004 0.000 1.136 468 F CA -0.860 57.059 58.000 -0.135 0.000 1.157 468 F CB 0.577 39.462 39.000 -0.192 0.000 1.167 468 F HN 0.701 nan 8.300 nan 0.000 0.539 469 A N 2.771 125.761 122.820 0.283 0.000 3.215 469 A HA 0.489 4.800 4.320 -0.015 0.000 0.269 469 A C 1.523 179.147 177.584 0.067 0.000 1.517 469 A CA 0.110 52.265 52.037 0.197 0.000 1.221 469 A CB -0.897 18.197 19.000 0.156 0.000 1.160 469 A HN 0.821 nan 8.150 nan 0.000 0.620 470 G N -0.363 108.494 108.800 0.094 0.000 2.985 470 G HA2 0.239 4.190 3.960 -0.015 0.000 0.209 470 G HA3 0.239 4.190 3.960 -0.015 0.000 0.209 470 G C 1.126 176.058 174.900 0.053 0.000 1.165 470 G CA 0.753 45.867 45.100 0.023 0.000 0.776 470 G HN 0.663 nan 8.290 nan 0.000 0.541 471 G N -0.139 108.705 108.800 0.073 0.000 2.421 471 G HA2 0.078 4.029 3.960 -0.015 0.000 0.216 471 G HA3 0.078 4.029 3.960 -0.015 0.000 0.216 471 G C 0.361 175.064 174.900 -0.328 0.000 1.171 471 G CA 1.135 46.240 45.100 0.009 0.000 0.775 471 G HN 0.484 nan 8.290 nan 0.000 0.543 472 D N -3.084 116.861 120.400 -0.757 0.000 2.622 472 D HA 0.269 4.900 4.640 -0.015 0.000 0.255 472 D C 1.290 177.354 176.300 -0.393 0.000 1.246 472 D CA -0.776 52.902 54.000 -0.536 0.000 0.795 472 D CB 0.468 40.901 40.800 -0.612 0.000 1.369 472 D HN -0.090 nan 8.370 nan 0.000 0.425 473 I N 0.296 120.723 120.570 -0.238 0.000 2.194 473 I HA -0.234 3.927 4.170 -0.015 0.000 0.246 473 I C 1.529 177.528 176.117 -0.196 0.000 1.093 473 I CA 1.199 62.346 61.300 -0.255 0.000 1.355 473 I CB -0.194 37.701 38.000 -0.175 0.000 1.046 473 I HN 0.220 nan 8.210 nan 0.000 0.413 474 S N -1.322 114.339 115.700 -0.064 0.000 2.593 474 S HA 0.015 4.476 4.470 -0.015 0.000 0.217 474 S C 1.478 176.162 174.600 0.140 0.000 0.966 474 S CA -0.073 58.151 58.200 0.040 0.000 0.914 474 S CB -0.453 62.788 63.200 0.068 0.000 0.776 474 S HN 0.499 nan 8.310 nan 0.000 0.523 475 H N 2.155 121.222 119.070 -0.005 0.000 2.421 475 H HA -0.140 4.407 4.556 -0.015 0.000 0.298 475 H C 2.407 177.800 175.328 0.109 0.000 1.087 475 H CA 1.378 57.457 56.048 0.051 0.000 1.330 475 H CB 0.039 29.825 29.762 0.041 0.000 1.388 475 H HN 0.603 nan 8.280 nan 0.000 0.526 476 Q N 1.054 120.953 119.800 0.165 0.000 2.437 476 Q HA -0.082 4.250 4.340 -0.015 0.000 0.210 476 Q C 1.609 177.762 176.000 0.256 0.000 0.972 476 Q CA 0.918 56.838 55.803 0.196 0.000 0.903 476 Q CB -0.120 28.600 28.738 -0.030 0.000 0.967 476 Q HN 0.506 nan 8.270 nan 0.000 0.486 477 L N 0.120 121.379 121.223 0.060 0.000 2.509 477 L HA 0.121 4.452 4.340 -0.015 0.000 0.222 477 L C 1.323 178.146 176.870 -0.079 0.000 1.123 477 L CA -0.270 54.444 54.840 -0.211 0.000 0.856 477 L CB -0.403 41.314 42.059 -0.570 0.000 0.985 477 L HN 0.352 nan 8.230 nan 0.000 0.456 478 H N 2.248 121.307 119.070 -0.017 0.000 2.928 478 H HA 0.054 4.601 4.556 -0.015 0.000 0.338 478 H C -0.235 174.967 175.328 -0.209 0.000 1.047 478 H CA 0.305 56.271 56.048 -0.137 0.000 1.435 478 H CB 0.807 30.470 29.762 -0.164 0.000 1.428 478 H HN 0.093 nan 8.280 nan 0.000 0.590 479 Q N 4.627 124.054 119.800 -0.622 0.000 2.243 479 Q HA 0.210 4.541 4.340 -0.015 0.000 0.252 479 Q C -0.900 174.717 176.000 -0.638 0.000 0.909 479 Q CA -0.246 55.308 55.803 -0.414 0.000 0.922 479 Q CB 1.183 29.766 28.738 -0.259 0.000 1.215 479 Q HN 0.512 nan 8.270 nan 0.000 0.427 480 Y N -0.077 119.954 120.300 -0.449 0.000 2.570 480 Y HA 0.394 4.935 4.550 -0.015 0.000 0.345 480 Y C 0.294 175.614 175.900 -0.966 0.000 1.014 480 Y CA -0.956 56.731 58.100 -0.689 0.000 1.063 480 Y CB 1.959 39.863 38.460 -0.927 0.000 1.272 480 Y HN 0.521 nan 8.280 nan 0.000 0.477 481 E N 0.486 120.388 120.200 -0.496 0.000 2.408 481 E HA 0.491 4.832 4.350 -0.015 0.000 0.275 481 E C -2.231 174.442 176.600 0.123 0.000 0.935 481 E CA -1.113 55.151 56.400 -0.227 0.000 0.775 481 E CB 3.071 32.731 29.700 -0.066 0.000 1.277 481 E HN 0.578 nan 8.360 nan 0.000 0.455 482 Y N 1.835 122.296 120.300 0.268 0.000 2.373 482 Y HA 0.408 4.949 4.550 -0.015 0.000 0.336 482 Y C -2.794 173.227 175.900 0.202 0.000 0.979 482 Y CA -2.356 55.932 58.100 0.314 0.000 1.080 482 Y CB 2.211 40.937 38.460 0.443 0.000 1.190 482 Y HN 0.397 nan 8.280 nan 0.000 0.446 483 P HA 0.233 nan 4.420 nan 0.000 0.275 483 P C -0.707 176.575 177.300 -0.029 0.000 1.228 483 P CA -0.076 62.702 63.100 -0.537 0.000 0.786 483 P CB 1.256 32.673 31.700 -0.471 0.000 0.927 484 A N 5.099 128.011 122.820 0.153 0.000 2.425 484 A HA 0.315 4.626 4.320 -0.015 0.000 0.242 484 A C -2.026 175.700 177.584 0.237 0.000 1.077 484 A CA -1.234 50.941 52.037 0.231 0.000 0.781 484 A CB -1.521 17.662 19.000 0.305 0.000 1.020 484 A HN 0.414 nan 8.150 nan 0.000 0.494 485 P HA 0.181 nan 4.420 nan 0.000 0.260 485 P C 1.068 178.380 177.300 0.020 0.000 1.185 485 P CA 2.105 65.254 63.100 0.083 0.000 0.763 485 P CB 0.369 32.105 31.700 0.060 0.000 0.776 486 G N 1.735 110.508 108.800 -0.045 0.000 2.284 486 G HA2 -0.285 3.666 3.960 -0.015 0.000 0.247 486 G HA3 -0.285 3.666 3.960 -0.015 0.000 0.247 486 G C 0.001 174.767 174.900 -0.225 0.000 1.012 486 G CA -0.326 44.670 45.100 -0.173 0.000 0.618 486 G HN 0.449 nan 8.290 nan 0.000 0.521 487 Y N 1.033 121.356 120.300 0.040 0.000 2.334 487 Y HA 0.647 5.188 4.550 -0.015 0.000 0.325 487 Y C 1.064 176.987 175.900 0.038 0.000 1.308 487 Y CA 0.186 58.320 58.100 0.056 0.000 1.389 487 Y CB 1.369 39.875 38.460 0.076 0.000 1.328 487 Y HN 0.193 nan 8.280 nan 0.000 0.532 488 S N 0.585 116.445 115.700 0.266 0.000 2.617 488 S HA 0.390 4.851 4.470 -0.015 0.000 0.283 488 S C -0.632 174.030 174.600 0.104 0.000 1.189 488 S CA -0.950 57.344 58.200 0.157 0.000 1.036 488 S CB 0.485 63.811 63.200 0.210 0.000 1.014 488 S HN 0.542 nan 8.310 nan 0.000 0.522 489 K N 2.091 122.497 120.400 0.009 0.000 2.180 489 K HA 0.263 4.574 4.320 -0.015 0.000 0.251 489 K C -0.037 176.634 176.600 0.119 0.000 1.014 489 K CA -0.604 55.710 56.287 0.045 0.000 0.913 489 K CB 0.222 32.713 32.500 -0.015 0.000 1.008 489 K HN 0.500 nan 8.250 nan 0.000 0.490 490 I N 2.846 123.546 120.570 0.217 0.000 2.683 490 I HA -0.081 4.080 4.170 -0.015 0.000 0.286 490 I C 1.189 177.334 176.117 0.046 0.000 1.175 490 I CA 0.714 62.077 61.300 0.104 0.000 1.429 490 I CB 0.329 38.331 38.000 0.003 0.000 1.371 490 I HN 0.594 nan 8.210 nan 0.000 0.569 491 K N 5.232 125.672 120.400 0.065 0.000 2.474 491 K HA 0.303 4.614 4.320 -0.015 0.000 0.204 491 K C 0.169 176.883 176.600 0.191 0.000 1.220 491 K CA 0.365 56.692 56.287 0.067 0.000 0.966 491 K CB 0.936 33.429 32.500 -0.012 0.000 1.049 491 K HN 0.687 nan 8.250 nan 0.000 0.554 492 M N -0.663 119.081 119.600 0.241 0.000 2.501 492 M HA 0.446 4.917 4.480 -0.015 0.000 0.293 492 M C -1.886 174.642 176.300 0.379 0.000 1.192 492 M CA -0.713 54.789 55.300 0.337 0.000 0.886 492 M CB 2.502 35.352 32.600 0.417 0.000 1.710 492 M HN -0.047 nan 8.290 nan 0.000 0.457 493 F N 4.892 124.934 119.950 0.154 0.000 2.499 493 F HA 0.462 4.980 4.527 -0.015 0.000 0.333 493 F C -1.820 174.095 175.800 0.192 0.000 1.138 493 F CA -0.662 57.437 58.000 0.165 0.000 0.945 493 F CB 1.208 40.268 39.000 0.101 0.000 1.181 493 F HN 0.752 nan 8.300 nan 0.000 0.435 494 W N 9.156 130.640 121.300 0.306 0.000 2.295 494 W HA 0.359 5.010 4.660 -0.015 0.000 0.333 494 W C -1.178 175.321 176.519 -0.034 0.000 0.990 494 W CA -1.074 56.314 57.345 0.072 0.000 1.453 494 W CB 0.949 30.512 29.460 0.173 0.000 1.263 494 W HN 0.508 nan 8.180 nan 0.000 0.380 495 K N 4.251 124.673 120.400 0.036 0.000 2.174 495 K HA 0.130 4.442 4.320 -0.015 0.000 0.275 495 K C -1.353 175.387 176.600 0.234 0.000 1.015 495 K CA -0.702 55.533 56.287 -0.086 0.000 0.933 495 K CB 1.895 34.137 32.500 -0.430 0.000 1.025 495 K HN 0.325 nan 8.250 nan 0.000 0.463 496 Y N 1.595 121.921 120.300 0.042 0.000 2.464 496 Y HA 0.332 4.873 4.550 -0.015 0.000 0.326 496 Y C 0.164 176.021 175.900 -0.072 0.000 0.969 496 Y CA 0.426 58.550 58.100 0.041 0.000 1.270 496 Y CB 0.797 39.245 38.460 -0.021 0.000 1.103 496 Y HN 0.927 nan 8.280 nan 0.000 0.491 497 G N 2.837 111.565 108.800 -0.120 0.000 2.757 497 G HA2 0.201 4.152 3.960 -0.015 0.000 0.638 497 G HA3 0.201 4.152 3.960 -0.015 0.000 0.638 497 G C -0.091 174.705 174.900 -0.174 0.000 1.344 497 G CA -0.353 44.670 45.100 -0.129 0.000 0.855 497 G HN 1.494 nan 8.290 nan 0.000 0.537 498 G N -1.059 107.625 108.800 -0.193 0.000 4.775 498 G HA2 0.707 4.658 3.960 -0.015 0.000 0.222 498 G HA3 0.707 4.658 3.960 -0.015 0.000 0.222 498 G C -1.289 173.471 174.900 -0.233 0.000 0.974 498 G CA 0.722 45.672 45.100 -0.251 0.000 0.614 498 G HN 0.755 nan 8.290 nan 0.000 0.427 499 P HA 0.044 nan 4.420 nan 0.000 0.257 499 P C 0.907 178.113 177.300 -0.156 0.000 1.241 499 P CA 0.281 63.276 63.100 -0.176 0.000 0.816 499 P CB 0.211 31.837 31.700 -0.124 0.000 1.150 500 H N 0.243 119.142 119.070 -0.285 0.000 2.460 500 H HA -0.077 4.470 4.556 -0.015 0.000 0.297 500 H C 1.915 176.903 175.328 -0.567 0.000 1.103 500 H CA 0.582 56.335 56.048 -0.492 0.000 1.292 500 H CB -0.369 29.025 29.762 -0.613 0.000 1.376 500 H HN 0.111 nan 8.280 nan 0.000 0.531 501 L N -0.397 120.649 121.223 -0.295 0.000 2.201 501 L HA -0.088 4.243 4.340 -0.015 0.000 0.212 501 L C 2.574 179.274 176.870 -0.282 0.000 1.105 501 L CA 1.071 55.706 54.840 -0.341 0.000 0.775 501 L CB -0.039 41.755 42.059 -0.441 0.000 0.913 501 L HN 0.334 nan 8.230 nan 0.000 0.440 502 G N -1.826 106.826 108.800 -0.246 0.000 2.921 502 G HA2 -0.046 3.905 3.960 -0.015 0.000 0.213 502 G HA3 -0.046 3.905 3.960 -0.015 0.000 0.213 502 G C 1.407 176.170 174.900 -0.228 0.000 1.143 502 G CA 0.783 45.739 45.100 -0.240 0.000 0.764 502 G HN 0.382 nan 8.290 nan 0.000 0.542 503 T N -3.064 111.346 114.554 -0.241 0.000 2.971 503 T HA 0.373 4.714 4.350 -0.015 0.000 0.252 503 T C 1.454 175.989 174.700 -0.276 0.000 1.022 503 T CA -0.189 61.765 62.100 -0.243 0.000 0.980 503 T CB 0.276 68.999 68.868 -0.243 0.000 1.044 503 T HN -0.095 nan 8.240 nan 0.000 0.501 504 M N 2.833 122.211 119.600 -0.370 0.000 2.311 504 M HA 0.449 4.921 4.480 -0.015 0.000 0.214 504 M C 0.570 176.745 176.300 -0.207 0.000 0.868 504 M CA -0.076 55.003 55.300 -0.368 0.000 1.766 504 M CB -0.081 32.099 32.600 -0.701 0.000 1.121 504 M HN 0.319 nan 8.290 nan 0.000 0.870 505 T N -2.142 112.344 114.554 -0.112 0.000 2.887 505 T HA 0.702 5.043 4.350 -0.015 0.000 0.288 505 T C 0.085 174.777 174.700 -0.013 0.000 1.021 505 T CA -0.381 61.691 62.100 -0.047 0.000 1.000 505 T CB 1.466 70.325 68.868 -0.015 0.000 1.034 505 T HN 0.857 nan 8.240 nan 0.000 0.467 506 A N 1.904 124.700 122.820 -0.041 0.000 2.311 506 A HA -0.181 4.130 4.320 -0.015 0.000 0.284 506 A C 1.595 179.169 177.584 -0.017 0.000 1.409 506 A CA 1.134 53.142 52.037 -0.049 0.000 0.764 506 A CB -2.468 16.502 19.000 -0.051 0.000 1.095 506 A HN 1.863 nan 8.150 nan 0.000 0.369 507 T N -1.778 112.758 114.554 -0.029 0.000 2.996 507 T HA -0.171 4.170 4.350 -0.015 0.000 0.271 507 T C 1.417 176.116 174.700 -0.001 0.000 1.126 507 T CA 1.316 63.427 62.100 0.017 0.000 1.103 507 T CB -0.395 68.377 68.868 -0.160 0.000 0.870 507 T HN 0.601 nan 8.240 nan 0.000 0.528 508 N N 2.231 120.906 118.700 -0.041 0.000 2.272 508 N HA -0.107 4.624 4.740 -0.015 0.000 0.185 508 N C 2.102 177.596 175.510 -0.028 0.000 1.014 508 N CA 1.356 54.390 53.050 -0.027 0.000 0.870 508 N CB -0.351 38.133 38.487 -0.004 0.000 0.975 508 N HN 0.774 nan 8.380 nan 0.000 0.433 509 R N -0.601 119.869 120.500 -0.050 0.000 2.148 509 R HA -0.096 4.235 4.340 -0.015 0.000 0.227 509 R C 1.287 177.439 176.300 -0.246 0.000 1.103 509 R CA 1.015 57.026 56.100 -0.149 0.000 0.983 509 R CB -0.749 29.418 30.300 -0.222 0.000 0.874 509 R HN 0.236 nan 8.270 nan 0.000 0.451 510 Y N 1.361 121.525 120.300 -0.226 0.000 2.314 510 Y HA 0.047 4.588 4.550 -0.015 0.000 0.293 510 Y C 2.796 178.508 175.900 -0.313 0.000 1.129 510 Y CA 1.176 59.113 58.100 -0.272 0.000 1.201 510 Y CB -0.162 38.172 38.460 -0.211 0.000 0.999 510 Y HN 0.237 nan 8.280 nan 0.000 0.541 511 A N 0.184 122.918 122.820 -0.143 0.000 1.897 511 A HA -0.149 4.162 4.320 -0.015 0.000 0.215 511 A C 2.130 179.663 177.584 -0.085 0.000 1.181 511 A CA 1.431 53.321 52.037 -0.244 0.000 0.620 511 A CB -0.379 18.591 19.000 -0.051 0.000 0.821 511 A HN 0.351 nan 8.150 nan 0.000 0.443 512 K N -0.124 120.252 120.400 -0.041 0.000 2.097 512 K HA -0.153 4.158 4.320 -0.015 0.000 0.206 512 K C 2.157 178.737 176.600 -0.032 0.000 1.049 512 K CA 1.704 57.994 56.287 0.006 0.000 0.933 512 K CB -0.433 32.062 32.500 -0.008 0.000 0.717 512 K HN 0.805 nan 8.250 nan 0.000 0.442 513 M N -1.079 118.414 119.600 -0.178 0.000 2.213 513 M HA -0.162 4.310 4.480 -0.015 0.000 0.263 513 M C 1.380 177.586 176.300 -0.157 0.000 1.062 513 M CA 1.682 56.837 55.300 -0.242 0.000 1.105 513 M CB -0.730 31.596 32.600 -0.456 0.000 1.385 513 M HN -0.002 nan 8.290 nan 0.000 0.417 514 Y N 2.285 122.541 120.300 -0.073 0.000 2.333 514 Y HA -0.132 4.409 4.550 -0.015 0.000 0.290 514 Y C 2.646 178.610 175.900 0.107 0.000 1.144 514 Y CA 1.799 59.906 58.100 0.010 0.000 1.228 514 Y CB -0.472 37.947 38.460 -0.069 0.000 0.985 514 Y HN 0.534 nan 8.280 nan 0.000 0.542 515 T N -3.139 111.567 114.554 0.253 0.000 3.107 515 T HA -0.035 4.306 4.350 -0.015 0.000 0.249 515 T C 0.430 175.222 174.700 0.154 0.000 1.096 515 T CA -0.160 62.063 62.100 0.206 0.000 1.012 515 T CB -0.489 68.489 68.868 0.183 0.000 0.977 515 T HN 0.236 nan 8.240 nan 0.000 0.527 516 H N 3.164 122.273 119.070 0.065 0.000 2.886 516 H HA 0.052 4.599 4.556 -0.015 0.000 0.329 516 H C 0.590 175.956 175.328 0.064 0.000 1.044 516 H CA 0.428 56.499 56.048 0.039 0.000 1.456 516 H CB 1.024 30.781 29.762 -0.010 0.000 1.464 516 H HN 0.339 nan 8.280 nan 0.000 0.573 517 D N 2.207 122.424 120.400 -0.305 0.000 2.384 517 D HA -0.174 4.457 4.640 -0.015 0.000 0.222 517 D C 1.568 177.875 176.300 0.012 0.000 0.976 517 D CA 0.940 54.877 54.000 -0.105 0.000 0.915 517 D CB -0.169 40.556 40.800 -0.125 0.000 0.896 517 D HN 0.413 nan 8.370 nan 0.000 0.523 518 S N -0.348 115.439 115.700 0.145 0.000 2.470 518 S HA 0.000 4.462 4.470 -0.015 0.000 0.225 518 S C 1.105 175.814 174.600 0.182 0.000 1.006 518 S CA -0.366 57.971 58.200 0.227 0.000 0.934 518 S CB -0.507 62.914 63.200 0.369 0.000 0.778 518 S HN 0.245 nan 8.310 nan 0.000 0.517 519 L N 2.559 123.905 121.223 0.205 0.000 2.363 519 L HA 0.253 4.584 4.340 -0.015 0.000 0.286 519 L C 1.033 178.035 176.870 0.220 0.000 1.106 519 L CA -0.171 54.782 54.840 0.189 0.000 0.859 519 L CB 0.614 42.786 42.059 0.188 0.000 1.223 519 L HN 0.380 nan 8.230 nan 0.000 0.446 520 E N 3.107 123.452 120.200 0.241 0.000 2.285 520 E HA -0.017 4.324 4.350 -0.015 0.000 0.194 520 E C -0.394 176.471 176.600 0.443 0.000 0.997 520 E CA 0.636 57.217 56.400 0.302 0.000 0.845 520 E CB 0.434 30.296 29.700 0.270 0.000 0.782 520 E HN 0.312 nan 8.360 nan 0.000 0.491 521 F N 0.070 120.118 119.950 0.163 0.000 2.650 521 F HA 0.319 4.837 4.527 -0.015 0.000 0.310 521 F C -1.807 174.036 175.800 0.072 0.000 1.112 521 F CA -1.246 56.795 58.000 0.069 0.000 0.986 521 F CB 1.581 40.657 39.000 0.127 0.000 1.285 521 F HN -0.410 nan 8.300 nan 0.000 0.440 522 V N 5.780 125.317 119.914 -0.629 0.000 2.525 522 V HA 0.626 4.737 4.120 -0.015 0.000 0.299 522 V C -1.102 174.473 176.094 -0.864 0.000 1.034 522 V CA -0.816 61.190 62.300 -0.489 0.000 0.863 522 V CB 1.672 33.428 31.823 -0.112 0.000 0.999 522 V HN 0.622 nan 8.190 nan 0.000 0.423 523 V N 3.176 122.645 119.914 -0.743 0.000 2.555 523 V HA 0.653 4.765 4.120 -0.015 0.000 0.302 523 V C 0.015 175.856 176.094 -0.422 0.000 1.038 523 V CA -0.379 61.506 62.300 -0.691 0.000 0.887 523 V CB 2.092 33.376 31.823 -0.898 0.000 0.991 523 V HN 0.832 nan 8.190 nan 0.000 0.434 524 S N 3.506 119.014 115.700 -0.320 0.000 2.552 524 S HA 0.437 4.898 4.470 -0.015 0.000 0.314 524 S C -0.677 173.841 174.600 -0.138 0.000 1.099 524 S CA -0.545 57.533 58.200 -0.204 0.000 1.070 524 S CB 1.174 64.233 63.200 -0.234 0.000 0.998 524 S HN 0.822 nan 8.310 nan 0.000 0.474 525 Q N 3.826 123.615 119.800 -0.020 0.000 2.462 525 Q HA 0.574 4.905 4.340 -0.015 0.000 0.247 525 Q C -1.042 174.829 176.000 -0.215 0.000 1.044 525 Q CA -0.247 55.544 55.803 -0.020 0.000 0.803 525 Q CB 0.522 29.404 28.738 0.239 0.000 1.190 525 Q HN 0.676 nan 8.270 nan 0.000 0.507 526 S N 2.676 118.246 115.700 -0.217 0.000 2.732 526 S HA 0.517 4.978 4.470 -0.015 0.000 0.293 526 S C 0.557 174.990 174.600 -0.278 0.000 1.159 526 S CA -0.711 57.332 58.200 -0.261 0.000 0.847 526 S CB 1.062 64.147 63.200 -0.191 0.000 1.169 526 S HN 0.664 nan 8.310 nan 0.000 0.501 527 I N -0.600 119.762 120.570 -0.346 0.000 3.039 527 I HA 0.198 4.359 4.170 -0.015 0.000 0.270 527 I C -0.129 175.603 176.117 -0.641 0.000 1.150 527 I CA 0.570 61.492 61.300 -0.629 0.000 1.448 527 I CB 0.275 37.592 38.000 -1.138 0.000 1.197 527 I HN 0.317 nan 8.210 nan 0.000 0.450 528 W N 0.201 121.446 121.300 -0.092 0.000 2.627 528 W HA 0.291 4.942 4.660 -0.015 0.000 0.339 528 W C -0.806 175.670 176.519 -0.072 0.000 1.058 528 W CA -1.026 56.284 57.345 -0.057 0.000 1.223 528 W CB 1.287 30.704 29.460 -0.072 0.000 1.389 528 W HN -0.199 nan 8.180 nan 0.000 0.541 529 F N 4.289 124.243 119.950 0.007 0.000 2.509 529 F HA 0.164 4.682 4.527 -0.015 0.000 0.350 529 F C 0.299 175.977 175.800 -0.202 0.000 1.220 529 F CA 0.211 58.049 58.000 -0.270 0.000 1.151 529 F CB -0.216 38.413 39.000 -0.617 0.000 1.379 529 F HN 0.355 nan 8.300 nan 0.000 0.610 530 E N 2.462 122.416 120.200 -0.411 0.000 2.442 530 E HA 0.599 4.940 4.350 -0.015 0.000 0.278 530 E C 0.390 176.819 176.600 -0.284 0.000 1.082 530 E CA -0.793 55.420 56.400 -0.311 0.000 0.861 530 E CB 0.423 30.049 29.700 -0.123 0.000 1.462 530 E HN 0.623 nan 8.360 nan 0.000 0.458 531 G N 1.300 110.001 108.800 -0.165 0.000 2.665 531 G HA2 -0.444 3.508 3.960 -0.015 0.000 0.326 531 G HA3 -0.444 3.508 3.960 -0.015 0.000 0.326 531 G C 0.665 175.528 174.900 -0.063 0.000 1.231 531 G CA 0.918 45.963 45.100 -0.092 0.000 0.992 531 G HN 0.701 nan 8.290 nan 0.000 0.549 532 E N 0.340 120.481 120.200 -0.098 0.000 2.371 532 E HA 0.192 4.533 4.350 -0.015 0.000 0.194 532 E C 2.656 179.174 176.600 -0.137 0.000 1.012 532 E CA 0.547 56.929 56.400 -0.030 0.000 0.860 532 E CB 0.065 29.705 29.700 -0.100 0.000 0.811 532 E HN 0.328 nan 8.360 nan 0.000 0.502 533 V N 1.630 121.363 119.914 -0.300 0.000 2.317 533 V HA -0.216 3.896 4.120 -0.015 0.000 0.251 533 V C -0.978 174.811 176.094 -0.507 0.000 1.065 533 V CA 1.771 63.819 62.300 -0.421 0.000 1.049 533 V CB -1.371 30.147 31.823 -0.509 0.000 0.651 533 V HN 0.211 nan 8.190 nan 0.000 0.450 534 P HA -0.019 nan 4.420 nan 0.000 0.244 534 P C 0.768 177.864 177.300 -0.341 0.000 1.211 534 P CA 1.032 63.810 63.100 -0.536 0.000 0.760 534 P CB -0.274 31.004 31.700 -0.702 0.000 0.961 535 F N -1.200 118.560 119.950 -0.315 0.000 2.704 535 F HA 0.316 4.834 4.527 -0.016 0.000 0.304 535 F C 1.513 177.138 175.800 -0.291 0.000 1.094 535 F CA -0.391 57.381 58.000 -0.380 0.000 1.275 535 F CB -0.224 38.195 39.000 -0.968 0.000 1.073 535 F HN -0.206 nan 8.300 nan 0.000 0.586 536 A N 0.280 123.059 122.820 -0.069 0.000 2.366 536 A HA 0.172 4.483 4.320 -0.015 0.000 0.249 536 A C 0.878 178.463 177.584 0.002 0.000 1.084 536 A CA -0.204 51.771 52.037 -0.104 0.000 0.794 536 A CB 0.230 19.114 19.000 -0.193 0.000 1.034 536 A HN 0.187 nan 8.150 nan 0.000 0.491 537 D N -0.311 119.955 120.400 -0.224 0.000 2.216 537 D HA 0.109 4.740 4.640 -0.015 0.000 0.208 537 D C 0.209 176.465 176.300 -0.073 0.000 0.960 537 D CA 1.183 54.999 54.000 -0.306 0.000 0.861 537 D CB 0.176 40.398 40.800 -0.964 0.000 0.985 537 D HN 0.317 nan 8.370 nan 0.000 0.493 538 I N 1.287 121.761 120.570 -0.159 0.000 2.533 538 I HA 0.347 4.508 4.170 -0.015 0.000 0.290 538 I C -0.467 175.560 176.117 -0.151 0.000 1.056 538 I CA -0.593 60.676 61.300 -0.052 0.000 1.057 538 I CB 2.348 40.361 38.000 0.022 0.000 1.240 538 I HN -0.228 nan 8.210 nan 0.000 0.423 539 I N 6.409 126.899 120.570 -0.134 0.000 2.436 539 I HA 0.428 4.589 4.170 -0.015 0.000 0.289 539 I C -0.692 175.290 176.117 -0.224 0.000 1.010 539 I CA -0.613 60.567 61.300 -0.200 0.000 1.098 539 I CB 2.091 39.940 38.000 -0.250 0.000 1.266 539 I HN 0.216 nan 8.210 nan 0.000 0.434 540 L N 7.674 128.779 121.223 -0.197 0.000 2.305 540 L HA 0.478 4.809 4.340 -0.015 0.000 0.284 540 L C -2.516 174.293 176.870 -0.102 0.000 1.013 540 L CA -1.909 52.802 54.840 -0.214 0.000 0.819 540 L CB 1.519 43.589 42.059 0.019 0.000 1.227 540 L HN 0.249 nan 8.230 nan 0.000 0.417 541 P HA 0.186 nan 4.420 nan 0.000 0.274 541 P C -0.605 176.757 177.300 0.103 0.000 1.291 541 P CA -0.045 63.048 63.100 -0.012 0.000 0.815 541 P CB 1.044 32.738 31.700 -0.011 0.000 0.897 542 A N 3.369 126.150 122.820 -0.066 0.000 2.282 542 A HA 0.629 4.941 4.320 -0.015 0.000 0.319 542 A C 0.498 177.986 177.584 -0.160 0.000 1.121 542 A CA -0.412 51.568 52.037 -0.095 0.000 0.836 542 A CB 0.390 19.265 19.000 -0.207 0.000 1.146 542 A HN 0.696 nan 8.150 nan 0.000 0.494 543 C N -0.090 119.143 119.300 -0.112 0.000 2.423 543 C HA 0.908 5.360 4.460 -0.015 0.000 0.378 543 C C 0.966 175.890 174.990 -0.111 0.000 1.244 543 C CA 0.081 59.028 59.018 -0.119 0.000 1.978 543 C CB 0.521 28.241 27.740 -0.034 0.000 2.252 543 C HN 1.152 nan 8.230 nan 0.000 0.526 544 T N -0.297 114.225 114.554 -0.053 0.000 2.770 544 T HA 0.231 4.573 4.350 -0.015 0.000 0.281 544 T C 1.113 175.909 174.700 0.159 0.000 0.981 544 T CA 0.128 62.292 62.100 0.107 0.000 0.955 544 T CB 0.370 69.436 68.868 0.330 0.000 1.060 544 T HN 0.903 nan 8.240 nan 0.000 0.531 545 N N -0.160 118.669 118.700 0.215 0.000 2.512 545 N HA -0.060 4.671 4.740 -0.015 0.000 0.183 545 N C 0.945 176.421 175.510 -0.057 0.000 1.073 545 N CA 0.607 53.698 53.050 0.068 0.000 0.911 545 N CB -0.527 37.972 38.487 0.020 0.000 0.964 545 N HN 0.589 nan 8.380 nan 0.000 0.447 546 F N 0.980 120.945 119.950 0.026 0.000 2.811 546 F HA 0.186 4.705 4.527 -0.015 0.000 0.301 546 F C 1.148 176.902 175.800 -0.077 0.000 1.151 546 F CA 0.291 58.278 58.000 -0.023 0.000 1.412 546 F CB 0.185 39.199 39.000 0.023 0.000 1.113 546 F HN 0.058 nan 8.300 nan 0.000 0.579 547 E N 0.208 120.453 120.200 0.076 0.000 2.624 547 E HA 0.179 4.520 4.350 -0.015 0.000 0.210 547 E C 0.200 176.767 176.600 -0.055 0.000 0.997 547 E CA -0.223 56.178 56.400 0.003 0.000 0.999 547 E CB 0.456 30.175 29.700 0.031 0.000 1.040 547 E HN 0.329 nan 8.360 nan 0.000 0.469 548 R N -1.046 119.389 120.500 -0.109 0.000 2.752 548 R HA 0.427 4.758 4.340 -0.015 0.000 0.271 548 R C -1.628 174.578 176.300 -0.157 0.000 1.026 548 R CA -1.027 55.021 56.100 -0.086 0.000 0.901 548 R CB 0.571 30.910 30.300 0.066 0.000 1.243 548 R HN -0.109 nan 8.270 nan 0.000 0.463 549 W N 0.791 122.156 121.300 0.108 0.000 2.365 549 W HA 0.503 5.155 4.660 -0.015 0.000 0.316 549 W C 0.069 176.658 176.519 0.117 0.000 1.164 549 W CA 0.558 57.980 57.345 0.129 0.000 1.204 549 W CB 1.160 30.732 29.460 0.187 0.000 1.213 549 W HN 0.487 nan 8.180 nan 0.000 0.539 550 D N 1.161 121.788 120.400 0.378 0.000 2.779 550 D HA 0.485 5.116 4.640 -0.015 0.000 0.331 550 D C -1.782 174.691 176.300 0.287 0.000 1.331 550 D CA -0.690 53.460 54.000 0.250 0.000 0.866 550 D CB 1.931 42.809 40.800 0.130 0.000 1.409 550 D HN 0.361 nan 8.370 nan 0.000 0.486 551 I N 0.455 121.143 120.570 0.197 0.000 2.827 551 I HA 0.593 4.754 4.170 -0.015 0.000 0.298 551 I C -1.346 174.881 176.117 0.184 0.000 1.235 551 I CA -0.049 61.437 61.300 0.311 0.000 1.021 551 I CB 1.662 39.960 38.000 0.497 0.000 1.259 551 I HN 0.582 nan 8.210 nan 0.000 0.427 552 S N 4.261 120.135 115.700 0.290 0.000 2.655 552 S HA 0.502 4.963 4.470 -0.015 0.000 0.266 552 S C -1.480 173.305 174.600 0.309 0.000 1.149 552 S CA -0.873 57.468 58.200 0.235 0.000 0.818 552 S CB 1.812 64.994 63.200 -0.030 0.000 1.130 552 S HN 0.782 nan 8.310 nan 0.000 0.476 553 E N 0.201 120.624 120.200 0.373 0.000 2.266 553 E HA 0.459 4.800 4.350 -0.015 0.000 0.268 553 E C -1.296 175.679 176.600 0.625 0.000 0.879 553 E CA -0.924 55.676 56.400 0.334 0.000 0.762 553 E CB 1.082 30.899 29.700 0.195 0.000 1.199 553 E HN 0.547 nan 8.360 nan 0.000 0.422 554 F N 3.654 123.799 119.950 0.324 0.000 2.514 554 F HA 0.015 4.533 4.527 -0.015 0.000 0.399 554 F C 0.984 176.982 175.800 0.330 0.000 1.011 554 F CA 1.170 59.331 58.000 0.268 0.000 1.109 554 F CB -0.771 38.338 39.000 0.182 0.000 0.980 554 F HN 0.761 nan 8.300 nan 0.000 0.538 555 A N 3.777 126.994 122.820 0.661 0.000 3.132 555 A HA -0.337 3.974 4.320 -0.015 0.000 0.266 555 A C 0.880 178.843 177.584 0.631 0.000 1.216 555 A CA 1.135 53.466 52.037 0.489 0.000 0.985 555 A CB -2.571 16.527 19.000 0.165 0.000 1.102 555 A HN 0.785 nan 8.150 nan 0.000 0.833 556 N N -0.237 118.872 118.700 0.682 0.000 2.402 556 N HA 0.284 5.015 4.740 -0.015 0.000 0.259 556 N C 0.868 176.493 175.510 0.192 0.000 1.167 556 N CA 0.389 53.706 53.050 0.446 0.000 0.949 556 N CB 0.383 39.118 38.487 0.412 0.000 1.212 556 N HN 0.703 nan 8.380 nan 0.000 0.493 557 C N 2.683 122.008 119.300 0.042 0.000 2.487 557 C HA 0.286 4.738 4.460 -0.015 0.000 0.311 557 C C 1.414 176.049 174.990 -0.591 0.000 1.367 557 C CA 1.061 59.740 59.018 -0.565 0.000 1.865 557 C CB -0.984 26.732 27.740 -0.040 0.000 2.277 557 C HN 0.871 nan 8.230 nan 0.000 0.521 558 S N -0.881 114.635 115.700 -0.305 0.000 3.245 558 S HA 0.105 4.566 4.470 -0.015 0.000 0.631 558 S C 1.152 175.391 174.600 -0.601 0.000 2.821 558 S CA 2.388 60.364 58.200 -0.373 0.000 3.266 558 S CB -1.639 61.453 63.200 -0.180 0.000 0.314 558 S HN 2.643 nan 8.310 nan 0.000 1.621 559 G N 0.703 109.095 108.800 -0.679 0.000 2.620 559 G HA2 -0.375 3.576 3.960 -0.015 0.000 0.315 559 G HA3 -0.375 3.576 3.960 -0.015 0.000 0.315 559 G C 0.582 175.111 174.900 -0.617 0.000 1.179 559 G CA 1.447 46.175 45.100 -0.620 0.000 0.971 559 G HN 2.086 nan 8.290 nan 0.000 0.544 560 Y N 0.723 120.974 120.300 -0.080 0.000 2.578 560 Y HA 0.634 5.175 4.550 -0.014 0.000 0.297 560 Y C 1.569 177.410 175.900 -0.098 0.000 1.176 560 Y CA 0.253 58.312 58.100 -0.068 0.000 1.315 560 Y CB -0.201 38.233 38.460 -0.043 0.000 1.031 560 Y HN 0.356 nan 8.280 nan 0.000 0.524 561 I N 2.142 122.649 120.570 -0.104 0.000 2.925 561 I HA 0.306 4.467 4.170 -0.015 0.000 0.296 561 I C -2.802 173.074 176.117 -0.401 0.000 1.413 561 I CA -2.049 59.163 61.300 -0.147 0.000 0.932 561 I CB 0.910 38.917 38.000 0.012 0.000 1.873 561 I HN -0.204 nan 8.210 nan 0.000 0.619 562 P HA -0.038 nan 4.420 nan 0.000 0.261 562 P C -0.141 176.868 177.300 -0.485 0.000 1.173 562 P CA 0.609 63.208 63.100 -0.836 0.000 0.760 562 P CB 0.237 31.256 31.700 -1.135 0.000 0.783 563 D N 1.488 121.701 120.400 -0.312 0.000 2.708 563 D HA -0.209 4.422 4.640 -0.015 0.000 0.236 563 D C 0.558 176.364 176.300 -0.824 0.000 1.146 563 D CA 1.093 54.780 54.000 -0.522 0.000 0.662 563 D CB -1.711 38.876 40.800 -0.355 0.000 1.059 563 D HN 0.661 nan 8.370 nan 0.000 0.428 564 N N -0.536 117.888 118.700 -0.461 0.000 2.521 564 N HA -0.154 4.578 4.740 -0.015 0.000 0.188 564 N C 1.730 177.108 175.510 -0.220 0.000 1.146 564 N CA 0.298 53.144 53.050 -0.341 0.000 0.893 564 N CB -0.430 37.953 38.487 -0.174 0.000 0.975 564 N HN 0.544 nan 8.380 nan 0.000 0.451 565 Y N 0.025 120.351 120.300 0.042 0.000 2.574 565 Y HA -0.059 4.482 4.550 -0.015 0.000 0.294 565 Y C 1.894 177.814 175.900 0.034 0.000 1.142 565 Y CA 0.214 58.358 58.100 0.073 0.000 1.314 565 Y CB -0.751 37.803 38.460 0.157 0.000 0.991 565 Y HN 0.308 nan 8.280 nan 0.000 0.555 566 Q N 0.848 120.496 119.800 -0.253 0.000 2.541 566 Q HA -0.005 4.326 4.340 -0.015 0.000 0.215 566 Q C 1.284 177.245 176.000 -0.064 0.000 0.977 566 Q CA 0.816 56.579 55.803 -0.066 0.000 0.934 566 Q CB -0.409 28.246 28.738 -0.138 0.000 0.988 566 Q HN 0.627 nan 8.270 nan 0.000 0.521 567 L N 0.123 121.288 121.223 -0.096 0.000 2.341 567 L HA 0.061 4.392 4.340 -0.015 0.000 0.214 567 L C 0.698 177.494 176.870 -0.122 0.000 1.115 567 L CA -0.177 54.597 54.840 -0.110 0.000 0.820 567 L CB 0.206 42.189 42.059 -0.126 0.000 0.944 567 L HN 0.341 nan 8.230 nan 0.000 0.452 568 C N -0.466 118.749 119.300 -0.141 0.000 2.335 568 C HA 0.200 4.652 4.460 -0.015 0.000 0.363 568 C C 1.737 176.764 174.990 0.062 0.000 1.198 568 C CA -0.914 57.993 59.018 -0.184 0.000 2.279 568 C CB 0.924 28.380 27.740 -0.473 0.000 2.334 568 C HN 0.336 nan 8.230 nan 0.000 0.559 569 N N -0.037 118.756 118.700 0.156 0.000 2.416 569 N HA 0.028 4.759 4.740 -0.015 0.000 0.177 569 N C -0.233 175.335 175.510 0.097 0.000 1.036 569 N CA 0.944 54.144 53.050 0.250 0.000 0.901 569 N CB -0.049 38.540 38.487 0.171 0.000 0.976 569 N HN 0.742 nan 8.380 nan 0.000 0.444 570 H N -1.254 118.048 119.070 0.387 0.000 3.012 570 H HA 0.382 4.929 4.556 -0.015 0.000 0.367 570 H C -0.507 174.978 175.328 0.262 0.000 1.211 570 H CA -0.706 55.549 56.048 0.346 0.000 1.139 570 H CB 1.481 31.465 29.762 0.370 0.000 1.838 570 H HN -0.216 nan 8.280 nan 0.000 0.550 571 R N 1.685 122.351 120.500 0.278 0.000 2.210 571 R HA 0.405 4.736 4.340 -0.015 0.000 0.338 571 R C -0.993 175.378 176.300 0.118 0.000 1.062 571 R CA -0.523 55.678 56.100 0.168 0.000 0.902 571 R CB 0.725 31.035 30.300 0.016 0.000 1.050 571 R HN 0.212 nan 8.270 nan 0.000 0.461 572 V N 6.188 126.248 119.914 0.244 0.000 2.378 572 V HA 0.388 4.499 4.120 -0.015 0.000 0.288 572 V C 0.139 176.343 176.094 0.184 0.000 1.016 572 V CA -0.653 61.771 62.300 0.206 0.000 0.840 572 V CB 1.709 33.717 31.823 0.309 0.000 0.994 572 V HN 0.633 nan 8.190 nan 0.000 0.431 573 I N 4.885 125.536 120.570 0.135 0.000 2.354 573 I HA 0.594 4.755 4.170 -0.015 0.000 0.292 573 I C 0.195 176.551 176.117 0.398 0.000 0.989 573 I CA 0.047 61.396 61.300 0.082 0.000 1.188 573 I CB 1.800 39.694 38.000 -0.177 0.000 1.342 573 I HN 0.734 nan 8.210 nan 0.000 0.457 574 S N 6.127 122.072 115.700 0.407 0.000 2.569 574 S HA 0.640 5.101 4.470 -0.015 0.000 0.280 574 S C -0.879 173.975 174.600 0.423 0.000 1.111 574 S CA -0.919 57.537 58.200 0.427 0.000 0.887 574 S CB 2.244 65.578 63.200 0.224 0.000 1.095 574 S HN 0.466 nan 8.310 nan 0.000 0.476 575 L N 1.791 123.091 121.223 0.128 0.000 2.290 575 L HA 0.380 4.711 4.340 -0.015 0.000 0.284 575 L C -0.167 176.748 176.870 0.075 0.000 1.078 575 L CA 0.167 55.054 54.840 0.077 0.000 0.815 575 L CB 0.636 42.487 42.059 -0.347 0.000 1.162 575 L HN 0.751 nan 8.230 nan 0.000 0.435 576 Q N 5.483 125.372 119.800 0.149 0.000 2.490 576 Q HA 0.447 4.778 4.340 -0.015 0.000 0.226 576 Q C -0.143 175.856 176.000 -0.002 0.000 1.132 576 Q CA -0.424 55.389 55.803 0.016 0.000 0.928 576 Q CB 0.832 29.578 28.738 0.014 0.000 1.299 576 Q HN 0.846 nan 8.270 nan 0.000 0.528 577 A N 2.902 125.648 122.820 -0.123 0.000 2.425 577 A HA 0.116 4.427 4.320 -0.015 0.000 0.249 577 A C 0.120 177.294 177.584 -0.683 0.000 1.084 577 A CA -0.348 51.469 52.037 -0.368 0.000 0.781 577 A CB 0.357 19.220 19.000 -0.228 0.000 1.019 577 A HN 0.649 nan 8.150 nan 0.000 0.490 578 K N 2.512 122.038 120.400 -1.455 0.000 2.237 578 K HA 0.175 4.486 4.320 -0.015 0.000 0.283 578 K C 0.380 176.678 176.600 -0.502 0.000 1.080 578 K CA -0.374 55.328 56.287 -0.975 0.000 0.965 578 K CB -0.404 31.310 32.500 -1.310 0.000 1.098 578 K HN 0.718 nan 8.250 nan 0.000 0.434 579 C N 4.572 123.732 119.300 -0.233 0.000 2.457 579 C HA 0.063 4.514 4.460 -0.015 0.000 0.278 579 C C 1.215 176.203 174.990 -0.002 0.000 1.309 579 C CA -0.151 58.830 59.018 -0.062 0.000 1.735 579 C CB -1.019 26.770 27.740 0.083 0.000 1.992 579 C HN 0.843 nan 8.230 nan 0.000 0.493 580 I N -3.204 117.371 120.570 0.008 0.000 3.191 580 I HA 0.558 4.719 4.170 -0.015 0.000 0.313 580 I C -1.022 175.115 176.117 0.033 0.000 1.193 580 I CA -0.745 60.587 61.300 0.052 0.000 0.968 580 I CB 1.023 39.095 38.000 0.119 0.000 1.262 580 I HN -0.234 nan 8.210 nan 0.000 0.456 581 E N 2.055 122.291 120.200 0.060 0.000 2.390 581 E HA 0.336 4.678 4.350 -0.015 0.000 0.261 581 E C -2.379 174.258 176.600 0.061 0.000 1.076 581 E CA -1.530 54.903 56.400 0.056 0.000 0.905 581 E CB 0.201 29.941 29.700 0.068 0.000 0.984 581 E HN 0.406 nan 8.360 nan 0.000 0.427 582 P HA -0.058 nan 4.420 nan 0.000 0.264 582 P C -0.472 176.865 177.300 0.061 0.000 1.183 582 P CA 0.143 63.270 63.100 0.044 0.000 0.763 582 P CB 0.416 32.140 31.700 0.039 0.000 0.807 583 V N 3.806 123.751 119.914 0.051 0.000 2.637 583 V HA 0.355 4.466 4.120 -0.015 0.000 0.296 583 V C 1.379 177.505 176.094 0.054 0.000 1.046 583 V CA 1.202 63.544 62.300 0.071 0.000 1.066 583 V CB -0.193 31.671 31.823 0.067 0.000 0.968 583 V HN 1.062 nan 8.190 nan 0.000 0.483 584 G N 4.596 113.437 108.800 0.067 0.000 2.566 584 G HA2 -0.301 3.651 3.960 -0.015 0.000 0.280 584 G HA3 -0.301 3.651 3.960 -0.015 0.000 0.280 584 G C 0.412 175.385 174.900 0.122 0.000 1.225 584 G CA 0.607 45.751 45.100 0.074 0.000 0.966 584 G HN 0.759 nan 8.290 nan 0.000 0.560 585 E N 0.802 121.106 120.200 0.173 0.000 2.370 585 E HA 0.389 4.730 4.350 -0.015 0.000 0.194 585 E C 1.210 178.061 176.600 0.418 0.000 1.057 585 E CA 0.443 57.021 56.400 0.298 0.000 1.011 585 E CB -0.127 29.784 29.700 0.352 0.000 1.132 585 E HN 0.681 nan 8.360 nan 0.000 0.450 586 S N 0.423 116.264 115.700 0.235 0.000 2.632 586 S HA 0.536 4.997 4.470 -0.015 0.000 0.267 586 S C 0.094 174.774 174.600 0.134 0.000 1.276 586 S CA -0.743 57.595 58.200 0.229 0.000 0.998 586 S CB 1.082 64.316 63.200 0.057 0.000 0.953 586 S HN 0.240 nan 8.310 nan 0.000 0.547 587 M N 0.067 119.709 119.600 0.070 0.000 2.622 587 M HA 0.530 5.001 4.480 -0.015 0.000 0.276 587 M C -0.438 175.841 176.300 -0.035 0.000 1.265 587 M CA -0.973 54.290 55.300 -0.062 0.000 0.850 587 M CB 1.694 34.121 32.600 -0.289 0.000 1.720 587 M HN 0.722 nan 8.290 nan 0.000 0.465 588 S N -0.341 115.363 115.700 0.006 0.000 2.573 588 S HA 0.064 4.525 4.470 -0.015 0.000 0.277 588 S C 0.307 174.932 174.600 0.042 0.000 1.346 588 S CA 0.022 58.262 58.200 0.067 0.000 1.034 588 S CB 0.452 63.749 63.200 0.163 0.000 0.879 588 S HN 0.760 nan 8.310 nan 0.000 0.528 589 D N 0.625 121.071 120.400 0.076 0.000 2.149 589 D HA -0.155 4.476 4.640 -0.015 0.000 0.198 589 D C 1.424 177.724 176.300 0.001 0.000 0.990 589 D CA 1.615 55.605 54.000 -0.015 0.000 0.839 589 D CB -0.249 40.679 40.800 0.213 0.000 0.948 589 D HN 0.823 nan 8.370 nan 0.000 0.460 590 Y N 1.999 122.396 120.300 0.161 0.000 2.181 590 Y HA -0.196 4.345 4.550 -0.015 0.000 0.288 590 Y C 2.225 178.273 175.900 0.247 0.000 1.146 590 Y CA 1.463 59.751 58.100 0.313 0.000 1.164 590 Y CB 0.154 38.791 38.460 0.296 0.000 0.982 590 Y HN -0.193 nan 8.280 nan 0.000 0.515 591 E N 0.342 120.652 120.200 0.183 0.000 2.204 591 E HA -0.154 4.187 4.350 -0.015 0.000 0.194 591 E C 2.292 178.795 176.600 -0.161 0.000 0.989 591 E CA 1.211 57.629 56.400 0.031 0.000 0.824 591 E CB -0.246 29.470 29.700 0.026 0.000 0.756 591 E HN 0.626 nan 8.360 nan 0.000 0.477 592 I N -0.131 120.300 120.570 -0.232 0.000 2.202 592 I HA -0.279 3.882 4.170 -0.015 0.000 0.242 592 I C 2.109 178.118 176.117 -0.181 0.000 1.091 592 I CA 1.174 62.298 61.300 -0.293 0.000 1.368 592 I CB -0.334 37.513 38.000 -0.255 0.000 1.058 592 I HN 0.115 nan 8.210 nan 0.000 0.410 593 Y N 0.159 120.331 120.300 -0.214 0.000 2.293 593 Y HA -0.178 4.363 4.550 -0.015 0.000 0.291 593 Y C 2.781 178.361 175.900 -0.532 0.000 1.137 593 Y CA 0.550 58.258 58.100 -0.652 0.000 1.202 593 Y CB -0.176 37.728 38.460 -0.927 0.000 0.990 593 Y HN 0.055 nan 8.280 nan 0.000 0.537 594 R N 0.345 120.759 120.500 -0.143 0.000 2.115 594 R HA -0.169 4.162 4.340 -0.015 0.000 0.230 594 R C 2.095 178.414 176.300 0.032 0.000 1.111 594 R CA 0.995 57.116 56.100 0.035 0.000 0.976 594 R CB -0.293 30.044 30.300 0.062 0.000 0.870 594 R HN 0.313 nan 8.270 nan 0.000 0.445 595 L N 0.002 121.189 121.223 -0.061 0.000 2.072 595 L HA -0.022 4.310 4.340 -0.015 0.000 0.205 595 L C 1.593 178.430 176.870 -0.055 0.000 1.079 595 L CA 1.678 56.454 54.840 -0.107 0.000 0.752 595 L CB -0.605 41.293 42.059 -0.268 0.000 0.906 595 L HN 0.106 nan 8.230 nan 0.000 0.436 596 F N -0.172 119.789 119.950 0.019 0.000 2.146 596 F HA -0.142 4.376 4.527 -0.015 0.000 0.298 596 F C 2.504 178.429 175.800 0.207 0.000 1.096 596 F CA 1.229 59.315 58.000 0.142 0.000 1.275 596 F CB -0.626 38.476 39.000 0.170 0.000 1.008 596 F HN 0.206 nan 8.300 nan 0.000 0.480 597 A N 0.005 123.042 122.820 0.361 0.000 1.908 597 A HA -0.280 4.031 4.320 -0.015 0.000 0.218 597 A C 2.176 179.891 177.584 0.218 0.000 1.181 597 A CA 2.061 54.268 52.037 0.283 0.000 0.627 597 A CB -0.781 18.343 19.000 0.206 0.000 0.818 597 A HN 0.368 nan 8.150 nan 0.000 0.445 598 K N -0.109 120.396 120.400 0.175 0.000 2.026 598 K HA -0.157 4.154 4.320 -0.015 0.000 0.208 598 K C 1.874 178.550 176.600 0.127 0.000 1.048 598 K CA 1.756 58.123 56.287 0.133 0.000 0.929 598 K CB -0.181 32.375 32.500 0.094 0.000 0.713 598 K HN 0.433 nan 8.250 nan 0.000 0.439 599 K N 0.243 120.727 120.400 0.140 0.000 2.365 599 K HA -0.026 4.285 4.320 -0.015 0.000 0.199 599 K C 1.576 178.276 176.600 0.167 0.000 1.045 599 K CA 0.617 56.989 56.287 0.141 0.000 0.962 599 K CB 0.149 32.733 32.500 0.139 0.000 0.759 599 K HN 0.224 nan 8.250 nan 0.000 0.469 600 L N 0.367 121.710 121.223 0.199 0.000 2.607 600 L HA 0.084 4.415 4.340 -0.015 0.000 0.228 600 L C 0.139 177.078 176.870 0.116 0.000 1.123 600 L CA -0.213 54.728 54.840 0.167 0.000 0.890 600 L CB -0.207 41.971 42.059 0.198 0.000 1.103 600 L HN 0.231 nan 8.230 nan 0.000 0.468 601 N N 1.064 119.834 118.700 0.116 0.000 2.776 601 N HA -0.227 4.504 4.740 -0.015 0.000 0.249 601 N C 0.285 175.852 175.510 0.095 0.000 1.111 601 N CA 1.044 54.151 53.050 0.095 0.000 0.711 601 N CB -1.085 37.447 38.487 0.074 0.000 1.065 601 N HN 0.596 nan 8.380 nan 0.000 0.556 602 I N -3.748 116.894 120.570 0.121 0.000 3.621 602 I HA 0.294 4.455 4.170 -0.015 0.000 0.325 602 I C 1.258 177.496 176.117 0.202 0.000 1.554 602 I CA -0.541 60.837 61.300 0.129 0.000 1.053 602 I CB 0.343 38.398 38.000 0.093 0.000 1.302 602 I HN 0.099 nan 8.210 nan 0.000 0.518 603 E N 2.100 122.421 120.200 0.203 0.000 2.077 603 E HA -0.296 4.045 4.350 -0.015 0.000 0.193 603 E C 1.888 178.645 176.600 0.263 0.000 0.989 603 E CA 1.935 58.492 56.400 0.261 0.000 0.800 603 E CB 0.226 30.047 29.700 0.201 0.000 0.746 603 E HN 0.574 nan 8.360 nan 0.000 0.452 604 E N 0.276 120.586 120.200 0.183 0.000 2.051 604 E HA -0.203 4.138 4.350 -0.015 0.000 0.192 604 E C 1.869 178.572 176.600 0.173 0.000 0.991 604 E CA 1.785 58.276 56.400 0.152 0.000 0.799 604 E CB -0.138 29.623 29.700 0.102 0.000 0.748 604 E HN 0.283 nan 8.360 nan 0.000 0.449 605 M N -0.694 119.009 119.600 0.172 0.000 2.132 605 M HA 0.025 4.496 4.480 -0.015 0.000 0.263 605 M C 1.954 178.408 176.300 0.256 0.000 1.065 605 M CA 1.236 56.638 55.300 0.170 0.000 1.122 605 M CB -0.667 32.005 32.600 0.119 0.000 1.365 605 M HN 0.202 nan 8.290 nan 0.000 0.411 606 F N 0.524 120.583 119.950 0.181 0.000 2.098 606 F HA -0.125 4.393 4.527 -0.015 0.000 0.294 606 F C 2.556 178.589 175.800 0.389 0.000 1.107 606 F CA 1.699 59.840 58.000 0.234 0.000 1.234 606 F CB -0.547 38.579 39.000 0.209 0.000 1.002 606 F HN 0.239 nan 8.300 nan 0.000 0.472 607 S N -0.744 115.083 115.700 0.211 0.000 2.478 607 S HA 0.006 4.467 4.470 -0.015 0.000 0.222 607 S C 0.801 175.562 174.600 0.269 0.000 1.008 607 S CA 0.553 58.920 58.200 0.279 0.000 0.928 607 S CB -0.546 62.879 63.200 0.376 0.000 0.781 607 S HN 0.544 nan 8.310 nan 0.000 0.518 608 E N 0.657 120.973 120.200 0.192 0.000 2.440 608 E HA -0.195 4.146 4.350 -0.015 0.000 0.246 608 E C 0.686 177.274 176.600 -0.020 0.000 1.165 608 E CA 0.259 56.707 56.400 0.081 0.000 0.726 608 E CB -2.253 27.468 29.700 0.035 0.000 1.271 608 E HN 1.019 nan 8.360 nan 0.000 0.397 609 G N 0.327 109.155 108.800 0.047 0.000 2.203 609 G HA2 -0.371 3.580 3.960 -0.015 0.000 0.263 609 G HA3 -0.371 3.580 3.960 -0.015 0.000 0.263 609 G C 0.012 174.884 174.900 -0.045 0.000 1.012 609 G CA 1.263 46.374 45.100 0.018 0.000 0.749 609 G HN 0.315 nan 8.290 nan 0.000 0.512 610 K N 0.325 120.682 120.400 -0.072 0.000 2.318 610 K HA 0.582 4.893 4.320 -0.015 0.000 0.249 610 K C -0.361 176.281 176.600 0.070 0.000 0.942 610 K CA -0.649 55.520 56.287 -0.197 0.000 0.808 610 K CB 1.609 33.650 32.500 -0.765 0.000 1.189 610 K HN 0.257 nan 8.250 nan 0.000 0.428 611 D N -0.096 120.327 120.400 0.038 0.000 2.487 611 D HA 0.096 4.727 4.640 -0.015 0.000 0.262 611 D C 0.502 176.816 176.300 0.023 0.000 1.130 611 D CA -0.595 53.501 54.000 0.159 0.000 1.038 611 D CB 0.535 41.418 40.800 0.139 0.000 1.142 611 D HN 0.509 nan 8.370 nan 0.000 0.575 612 E N -1.152 119.022 120.200 -0.044 0.000 2.070 612 E HA -0.170 4.171 4.350 -0.015 0.000 0.197 612 E C 1.770 178.418 176.600 0.081 0.000 1.004 612 E CA 0.819 57.186 56.400 -0.055 0.000 0.805 612 E CB -0.158 29.583 29.700 0.069 0.000 0.744 612 E HN 0.288 nan 8.360 nan 0.000 0.451 613 L N 0.499 121.757 121.223 0.058 0.000 2.131 613 L HA -0.109 4.222 4.340 -0.015 0.000 0.210 613 L C 2.091 178.884 176.870 -0.127 0.000 1.092 613 L CA 1.716 56.543 54.840 -0.022 0.000 0.759 613 L CB -0.557 41.348 42.059 -0.257 0.000 0.903 613 L HN 0.066 nan 8.230 nan 0.000 0.435 614 A N -1.664 121.063 122.820 -0.156 0.000 1.898 614 A HA -0.219 4.092 4.320 -0.015 0.000 0.216 614 A C 2.102 179.532 177.584 -0.256 0.000 1.181 614 A CA 1.511 53.384 52.037 -0.273 0.000 0.620 614 A CB -1.193 17.627 19.000 -0.301 0.000 0.819 614 A HN 0.597 nan 8.150 nan 0.000 0.442 615 W N -0.609 120.584 121.300 -0.178 0.000 2.363 615 W HA -0.175 4.477 4.660 -0.014 0.000 0.296 615 W C 2.543 179.013 176.519 -0.082 0.000 1.212 615 W CA 0.915 58.184 57.345 -0.127 0.000 1.260 615 W CB -0.499 28.876 29.460 -0.141 0.000 1.131 615 W HN 0.354 nan 8.180 nan 0.000 0.530 616 C N -0.814 118.557 119.300 0.120 0.000 2.425 616 C HA -0.183 4.268 4.460 -0.015 0.000 0.277 616 C C 2.506 177.406 174.990 -0.150 0.000 1.280 616 C CA 1.327 60.402 59.018 0.096 0.000 1.744 616 C CB -1.166 26.711 27.740 0.229 0.000 1.989 616 C HN 0.401 nan 8.230 nan 0.000 0.491 617 E N 0.371 120.149 120.200 -0.703 0.000 2.072 617 E HA -0.258 4.083 4.350 -0.015 0.000 0.191 617 E C 2.284 178.677 176.600 -0.344 0.000 0.985 617 E CA 1.031 56.739 56.400 -1.154 0.000 0.801 617 E CB -0.255 28.584 29.700 -1.435 0.000 0.750 617 E HN 0.686 nan 8.360 nan 0.000 0.452 618 Q N -0.495 119.179 119.800 -0.209 0.000 2.084 618 Q HA -0.240 4.091 4.340 -0.015 0.000 0.202 618 Q C 1.982 178.009 176.000 0.045 0.000 0.978 618 Q CA 1.611 57.356 55.803 -0.097 0.000 0.844 618 Q CB -0.267 28.398 28.738 -0.121 0.000 0.898 618 Q HN 0.424 nan 8.270 nan 0.000 0.426 619 Y N 0.149 120.477 120.300 0.048 0.000 2.097 619 Y HA -0.314 4.227 4.550 -0.015 0.000 0.282 619 Y C 1.974 177.961 175.900 0.146 0.000 1.152 619 Y CA 2.148 60.339 58.100 0.151 0.000 1.136 619 Y CB -0.575 37.995 38.460 0.183 0.000 0.975 619 Y HN 0.280 nan 8.280 nan 0.000 0.498 620 F N 1.411 121.538 119.950 0.295 0.000 2.091 620 F HA -0.337 4.181 4.527 -0.015 0.000 0.299 620 F C 2.005 177.873 175.800 0.112 0.000 1.103 620 F CA 2.244 60.409 58.000 0.275 0.000 1.228 620 F CB -0.568 38.678 39.000 0.410 0.000 0.984 620 F HN 0.101 nan 8.300 nan 0.000 0.477 621 N N 0.410 119.239 118.700 0.214 0.000 2.512 621 N HA -0.034 4.697 4.740 -0.015 0.000 0.183 621 N C 1.483 176.942 175.510 -0.084 0.000 1.073 621 N CA 0.984 54.068 53.050 0.056 0.000 0.911 621 N CB -0.366 38.158 38.487 0.061 0.000 0.964 621 N HN 0.400 nan 8.380 nan 0.000 0.447 622 A N 0.262 123.008 122.820 -0.123 0.000 2.307 622 A HA 0.092 4.403 4.320 -0.015 0.000 0.218 622 A C 1.188 178.710 177.584 -0.103 0.000 1.228 622 A CA 0.147 52.078 52.037 -0.177 0.000 0.857 622 A CB -0.199 18.597 19.000 -0.339 0.000 0.897 622 A HN 0.327 nan 8.150 nan 0.000 0.495 623 T N -4.631 109.814 114.554 -0.180 0.000 2.870 623 T HA 0.423 4.764 4.350 -0.015 0.000 0.277 623 T C 0.021 174.604 174.700 -0.195 0.000 1.000 623 T CA -0.201 61.768 62.100 -0.218 0.000 0.982 623 T CB 0.973 69.580 68.868 -0.436 0.000 1.249 623 T HN -0.079 nan 8.240 nan 0.000 0.589 624 D N -0.170 120.071 120.400 -0.266 0.000 2.340 624 D HA 0.128 4.759 4.640 -0.015 0.000 0.220 624 D C 1.833 178.098 176.300 -0.058 0.000 1.039 624 D CA 0.163 54.009 54.000 -0.257 0.000 0.866 624 D CB -0.096 40.359 40.800 -0.576 0.000 0.913 624 D HN 0.300 nan 8.370 nan 0.000 0.523 625 M N 0.361 119.902 119.600 -0.100 0.000 2.144 625 M HA -0.116 4.355 4.480 -0.015 0.000 0.260 625 M C -0.822 175.408 176.300 -0.117 0.000 1.067 625 M CA 1.403 56.651 55.300 -0.085 0.000 1.095 625 M CB -1.964 30.183 32.600 -0.755 0.000 1.365 625 M HN -0.029 nan 8.290 nan 0.000 0.406 626 P HA -0.158 nan 4.420 nan 0.000 0.221 626 P C 1.099 178.406 177.300 0.012 0.000 1.145 626 P CA 1.229 64.337 63.100 0.013 0.000 0.795 626 P CB -0.178 31.524 31.700 0.003 0.000 0.775 627 K N -2.123 118.253 120.400 -0.040 0.000 2.217 627 K HA -0.100 4.211 4.320 -0.015 0.000 0.202 627 K C 1.640 178.111 176.600 -0.214 0.000 1.051 627 K CA 1.238 57.439 56.287 -0.143 0.000 0.952 627 K CB -0.268 32.097 32.500 -0.225 0.000 0.736 627 K HN 0.315 nan 8.250 nan 0.000 0.453 628 Y N -0.043 120.268 120.300 0.017 0.000 2.500 628 Y HA 0.180 4.721 4.550 -0.015 0.000 0.284 628 Y C 1.096 176.926 175.900 -0.116 0.000 1.118 628 Y CA -0.287 57.764 58.100 -0.081 0.000 1.241 628 Y CB 0.656 38.947 38.460 -0.281 0.000 1.171 628 Y HN -0.028 nan 8.280 nan 0.000 0.540 629 M N -1.178 118.472 119.600 0.084 0.000 2.643 629 M HA 0.403 4.874 4.480 -0.015 0.000 0.276 629 M C -0.803 175.666 176.300 0.282 0.000 1.200 629 M CA -0.939 54.432 55.300 0.119 0.000 0.863 629 M CB 1.706 34.325 32.600 0.031 0.000 1.711 629 M HN -0.061 nan 8.290 nan 0.000 0.492 630 T N -1.720 112.970 114.554 0.227 0.000 2.788 630 T HA 0.143 4.484 4.350 -0.015 0.000 0.287 630 T C 0.767 175.590 174.700 0.205 0.000 1.007 630 T CA -0.401 61.865 62.100 0.277 0.000 1.005 630 T CB 1.146 70.112 68.868 0.162 0.000 1.012 630 T HN 0.936 nan 8.240 nan 0.000 0.530 631 W N 1.253 122.497 121.300 -0.094 0.000 2.355 631 W HA -0.176 4.475 4.660 -0.015 0.000 0.309 631 W C 1.025 177.447 176.519 -0.161 0.000 1.206 631 W CA 1.823 58.872 57.345 -0.493 0.000 1.284 631 W CB -0.534 28.722 29.460 -0.340 0.000 1.145 631 W HN 0.702 nan 8.180 nan 0.000 0.502 632 D N 0.495 120.820 120.400 -0.124 0.000 2.123 632 D HA -0.219 4.412 4.640 -0.015 0.000 0.196 632 D C 1.972 178.184 176.300 -0.147 0.000 0.992 632 D CA 2.073 55.963 54.000 -0.184 0.000 0.833 632 D CB -0.620 40.161 40.800 -0.032 0.000 0.954 632 D HN 0.425 nan 8.370 nan 0.000 0.455 633 E N -0.475 119.687 120.200 -0.064 0.000 2.047 633 E HA -0.146 4.195 4.350 -0.015 0.000 0.191 633 E C 1.952 178.516 176.600 -0.060 0.000 0.987 633 E CA 0.430 56.810 56.400 -0.034 0.000 0.799 633 E CB -0.221 29.492 29.700 0.023 0.000 0.752 633 E HN 0.231 nan 8.360 nan 0.000 0.449 634 F N 1.168 120.979 119.950 -0.232 0.000 2.102 634 F HA -0.224 4.294 4.527 -0.015 0.000 0.298 634 F C 2.039 177.641 175.800 -0.330 0.000 1.105 634 F CA 1.260 59.112 58.000 -0.246 0.000 1.239 634 F CB -0.497 38.338 39.000 -0.276 0.000 0.991 634 F HN -0.039 nan 8.300 nan 0.000 0.474 635 F N 1.429 120.865 119.950 -0.857 0.000 2.120 635 F HA -0.244 4.274 4.527 -0.015 0.000 0.300 635 F C 2.574 178.054 175.800 -0.534 0.000 1.095 635 F CA 2.471 59.921 58.000 -0.916 0.000 1.249 635 F CB -0.611 37.755 39.000 -1.057 0.000 0.995 635 F HN 0.022 nan 8.300 nan 0.000 0.480 636 K N 0.346 120.596 120.400 -0.251 0.000 2.057 636 K HA -0.223 4.088 4.320 -0.015 0.000 0.206 636 K C 2.331 178.785 176.600 -0.244 0.000 1.050 636 K CA 1.537 57.710 56.287 -0.189 0.000 0.935 636 K CB -0.242 32.211 32.500 -0.078 0.000 0.715 636 K HN 0.249 nan 8.250 nan 0.000 0.439 637 K N -1.070 119.171 120.400 -0.265 0.000 2.103 637 K HA -0.086 4.225 4.320 -0.015 0.000 0.204 637 K C 1.167 177.610 176.600 -0.260 0.000 1.052 637 K CA 1.363 57.506 56.287 -0.240 0.000 0.945 637 K CB 0.071 32.440 32.500 -0.219 0.000 0.722 637 K HN 0.448 nan 8.250 nan 0.000 0.443 638 G N -0.239 108.293 108.800 -0.446 0.000 2.320 638 G HA2 -0.311 3.640 3.960 -0.015 0.000 0.242 638 G HA3 -0.311 3.640 3.960 -0.015 0.000 0.242 638 G C -0.038 174.763 174.900 -0.164 0.000 1.033 638 G CA 0.763 45.654 45.100 -0.348 0.000 0.620 638 G HN 0.514 nan 8.290 nan 0.000 0.517 639 Y N -2.183 118.041 120.300 -0.127 0.000 2.592 639 Y HA 0.752 5.293 4.550 -0.015 0.000 0.334 639 Y C -1.544 174.534 175.900 0.295 0.000 1.136 639 Y CA -2.394 55.774 58.100 0.114 0.000 1.042 639 Y CB 0.923 39.421 38.460 0.064 0.000 1.325 639 Y HN 0.689 nan 8.280 nan 0.000 0.457 640 F N 2.990 123.062 119.950 0.203 0.000 2.557 640 F HA 0.710 5.228 4.527 -0.015 0.000 0.316 640 F C -1.793 173.987 175.800 -0.033 0.000 1.141 640 F CA -1.342 56.660 58.000 0.002 0.000 0.922 640 F CB 1.888 40.951 39.000 0.106 0.000 1.194 640 F HN 0.515 nan 8.300 nan 0.000 0.443 641 V N 6.965 126.367 119.914 -0.854 0.000 2.368 641 V HA 0.239 4.350 4.120 -0.015 0.000 0.266 641 V C -0.055 175.251 176.094 -1.315 0.000 1.045 641 V CA -0.749 61.047 62.300 -0.839 0.000 0.899 641 V CB 0.861 32.180 31.823 -0.841 0.000 1.006 641 V HN 0.597 nan 8.190 nan 0.000 0.470 642 V N 8.604 127.940 119.914 -0.965 0.000 2.673 642 V HA 0.092 4.204 4.120 -0.015 0.000 0.303 642 V C -1.776 173.951 176.094 -0.611 0.000 1.046 642 V CA -0.886 60.857 62.300 -0.929 0.000 1.126 642 V CB 0.562 32.015 31.823 -0.617 0.000 0.934 642 V HN 0.750 nan 8.190 nan 0.000 0.487 643 P HA 0.131 nan 4.420 nan 0.000 0.272 643 P C -0.530 176.715 177.300 -0.092 0.000 1.223 643 P CA -0.303 62.634 63.100 -0.272 0.000 0.784 643 P CB 0.424 32.008 31.700 -0.193 0.000 0.923 644 D N 1.072 121.474 120.400 0.003 0.000 2.357 644 D HA 0.020 4.651 4.640 -0.015 0.000 0.242 644 D C -0.136 176.207 176.300 0.072 0.000 1.153 644 D CA 0.069 54.118 54.000 0.082 0.000 0.918 644 D CB 0.193 41.077 40.800 0.140 0.000 1.181 644 D HN 0.091 nan 8.370 nan 0.000 0.435 645 N N 2.542 121.285 118.700 0.070 0.000 2.976 645 N HA 0.254 4.986 4.740 -0.015 0.000 0.255 645 N C -2.160 173.383 175.510 0.054 0.000 1.312 645 N CA -1.891 51.200 53.050 0.069 0.000 0.897 645 N CB 1.047 39.575 38.487 0.067 0.000 1.184 645 N HN 0.173 nan 8.380 nan 0.000 0.497 646 P HA -0.197 nan 4.420 nan 0.000 0.219 646 P C 0.418 177.748 177.300 0.049 0.000 1.153 646 P CA 1.468 64.607 63.100 0.066 0.000 0.865 646 P CB 0.482 32.220 31.700 0.064 0.000 0.788 647 N N -1.752 116.975 118.700 0.045 0.000 1.785 647 N HA 0.145 4.876 4.740 -0.015 0.000 0.207 647 N C -0.140 175.388 175.510 0.031 0.000 1.228 647 N CA -0.167 52.905 53.050 0.037 0.000 0.988 647 N CB -0.391 38.119 38.487 0.039 0.000 1.281 647 N HN -0.047 nan 8.380 nan 0.000 0.374 648 R N 1.559 122.081 120.500 0.036 0.000 1.270 648 R HA -0.175 4.156 4.340 -0.015 0.000 0.409 648 R C -0.773 175.547 176.300 0.034 0.000 1.343 648 R CA 0.371 56.494 56.100 0.038 0.000 1.285 648 R CB -1.164 29.159 30.300 0.038 0.000 3.625 648 R HN 0.539 nan 8.270 nan 0.000 0.485 649 K N 3.477 123.902 120.400 0.040 0.000 2.382 649 K HA 0.174 4.485 4.320 -0.015 0.000 0.275 649 K C -0.590 176.044 176.600 0.056 0.000 1.009 649 K CA -0.458 55.855 56.287 0.043 0.000 0.970 649 K CB 0.792 33.317 32.500 0.041 0.000 0.934 649 K HN 0.422 nan 8.250 nan 0.000 0.479 650 K N 2.823 123.256 120.400 0.056 0.000 2.258 650 K HA 0.111 4.422 4.320 -0.015 0.000 0.284 650 K C -0.358 176.302 176.600 0.101 0.000 1.051 650 K CA -0.373 55.958 56.287 0.074 0.000 0.923 650 K CB 1.278 33.807 32.500 0.049 0.000 1.046 650 K HN 0.862 nan 8.250 nan 0.000 0.474 651 T N -1.320 113.319 114.554 0.142 0.000 3.060 651 T HA 0.271 4.612 4.350 -0.015 0.000 0.367 651 T C 0.157 174.975 174.700 0.196 0.000 1.229 651 T CA -0.833 61.356 62.100 0.149 0.000 1.104 651 T CB 0.202 69.132 68.868 0.103 0.000 1.083 651 T HN 0.102 nan 8.240 nan 0.000 0.524 652 V N 3.069 123.086 119.914 0.171 0.000 2.673 652 V HA 0.404 4.516 4.120 -0.015 0.000 0.303 652 V C 1.425 177.646 176.094 0.212 0.000 1.046 652 V CA -0.455 61.940 62.300 0.157 0.000 1.126 652 V CB -0.155 31.730 31.823 0.103 0.000 0.934 652 V HN 1.136 nan 8.190 nan 0.000 0.487 653 A N 5.416 128.358 122.820 0.203 0.000 2.580 653 A HA 0.250 4.561 4.320 -0.015 0.000 0.244 653 A C 1.141 178.821 177.584 0.161 0.000 1.045 653 A CA 0.328 52.505 52.037 0.233 0.000 0.761 653 A CB -0.691 18.382 19.000 0.121 0.000 0.962 653 A HN 1.296 nan 8.150 nan 0.000 0.512 654 L N -0.264 121.047 121.223 0.146 0.000 4.988 654 L HA -0.330 4.001 4.340 -0.015 0.000 0.439 654 L C 2.066 178.807 176.870 -0.215 0.000 1.080 654 L CA 1.348 56.057 54.840 -0.218 0.000 1.018 654 L CB -1.267 40.765 42.059 -0.045 0.000 1.945 654 L HN 0.968 nan 8.230 nan 0.000 0.782 655 R N 1.169 121.676 120.500 0.011 0.000 2.096 655 R HA -0.179 4.152 4.340 -0.015 0.000 0.235 655 R C 2.250 178.588 176.300 0.064 0.000 1.127 655 R CA 2.232 58.370 56.100 0.064 0.000 0.968 655 R CB -0.235 30.141 30.300 0.126 0.000 0.861 655 R HN 0.758 nan 8.270 nan 0.000 0.440 656 W N -0.264 121.116 121.300 0.133 0.000 2.342 656 W HA -0.222 4.429 4.660 -0.015 0.000 0.297 656 W C 1.550 178.149 176.519 0.133 0.000 1.213 656 W CA 0.348 57.756 57.345 0.104 0.000 1.251 656 W CB -1.316 28.197 29.460 0.089 0.000 1.136 656 W HN 0.054 nan 8.180 nan 0.000 0.526 657 F N 2.879 122.355 119.950 -0.790 0.000 2.113 657 F HA 0.071 4.590 4.527 -0.015 0.000 0.297 657 F C 2.651 178.264 175.800 -0.312 0.000 1.103 657 F CA 2.531 60.110 58.000 -0.702 0.000 1.248 657 F CB -0.911 37.448 39.000 -1.069 0.000 0.999 657 F HN -0.094 nan 8.300 nan 0.000 0.475 658 A N -0.080 122.595 122.820 -0.242 0.000 1.933 658 A HA -0.189 4.122 4.320 -0.015 0.000 0.218 658 A C 1.954 179.419 177.584 -0.200 0.000 1.175 658 A CA 1.847 53.787 52.037 -0.161 0.000 0.628 658 A CB -0.789 18.316 19.000 0.173 0.000 0.814 658 A HN 0.587 nan 8.150 nan 0.000 0.444 659 E N -1.255 118.882 120.200 -0.106 0.000 2.465 659 E HA 0.289 4.630 4.350 -0.015 0.000 0.191 659 E C 0.899 177.456 176.600 -0.071 0.000 1.053 659 E CA 0.136 56.500 56.400 -0.060 0.000 0.869 659 E CB -0.102 29.607 29.700 0.016 0.000 0.977 659 E HN 0.682 nan 8.360 nan 0.000 0.483 660 G N 2.954 111.670 108.800 -0.140 0.000 2.283 660 G HA2 -0.353 3.598 3.960 -0.015 0.000 0.280 660 G HA3 -0.353 3.598 3.960 -0.015 0.000 0.280 660 G C 0.213 175.133 174.900 0.033 0.000 1.029 660 G CA 1.053 46.096 45.100 -0.095 0.000 0.840 660 G HN 0.361 nan 8.290 nan 0.000 0.505 661 R N -1.339 119.237 120.500 0.126 0.000 3.006 661 R HA 0.749 5.080 4.340 -0.015 0.000 0.235 661 R C -0.346 176.093 176.300 0.231 0.000 1.362 661 R CA -1.069 55.117 56.100 0.143 0.000 1.067 661 R CB 0.933 31.301 30.300 0.113 0.000 1.396 661 R HN 0.093 nan 8.270 nan 0.000 0.504 662 E N 1.691 121.958 120.200 0.112 0.000 2.413 662 E HA -0.003 4.338 4.350 -0.015 0.000 0.263 662 E C -0.510 176.024 176.600 -0.111 0.000 1.015 662 E CA -0.143 56.265 56.400 0.013 0.000 0.916 662 E CB 0.544 30.210 29.700 -0.056 0.000 0.947 662 E HN 0.238 nan 8.360 nan 0.000 0.440 663 K N 3.222 123.306 120.400 -0.526 0.000 2.472 663 K HA -0.095 4.217 4.320 -0.015 0.000 0.280 663 K C -0.423 175.755 176.600 -0.704 0.000 1.028 663 K CA 0.379 55.836 56.287 -1.384 0.000 1.045 663 K CB 0.349 31.888 32.500 -1.601 0.000 0.902 663 K HN 0.633 nan 8.250 nan 0.000 0.478 664 D N 1.562 121.615 120.400 -0.577 0.000 2.527 664 D HA -0.017 4.614 4.640 -0.015 0.000 0.224 664 D C 0.346 176.528 176.300 -0.198 0.000 1.217 664 D CA -0.294 53.556 54.000 -0.250 0.000 0.819 664 D CB -0.029 40.727 40.800 -0.074 0.000 1.061 664 D HN 0.492 nan 8.370 nan 0.000 0.515 665 T N -2.337 112.056 114.554 -0.268 0.000 2.824 665 T HA 0.447 4.789 4.350 -0.015 0.000 0.277 665 T C -1.997 172.486 174.700 -0.363 0.000 0.975 665 T CA -1.392 60.542 62.100 -0.275 0.000 0.966 665 T CB 1.629 70.372 68.868 -0.208 0.000 1.054 665 T HN -0.343 nan 8.240 nan 0.000 0.533 666 P HA 0.195 nan 4.420 nan 0.000 0.245 666 P C -0.067 177.168 177.300 -0.108 0.000 1.212 666 P CA 0.008 62.902 63.100 -0.343 0.000 0.774 666 P CB -0.114 31.370 31.700 -0.360 0.000 0.999 667 D N -1.111 119.209 120.400 -0.133 0.000 2.419 667 D HA -0.098 4.533 4.640 -0.015 0.000 0.236 667 D C 0.217 176.638 176.300 0.201 0.000 1.165 667 D CA 0.151 54.297 54.000 0.243 0.000 0.882 667 D CB 0.351 41.374 40.800 0.371 0.000 1.201 667 D HN 0.022 nan 8.370 nan 0.000 0.443 668 W N 1.920 123.070 121.300 -0.250 0.000 3.377 668 W HA 0.380 5.031 4.660 -0.015 0.000 0.277 668 W C 0.830 176.783 176.519 -0.944 0.000 1.311 668 W CA -0.255 56.782 57.345 -0.513 0.000 1.703 668 W CB -0.420 28.648 29.460 -0.654 0.000 1.095 668 W HN 0.368 nan 8.180 nan 0.000 0.715 669 G N -0.509 107.606 108.800 -1.141 0.000 2.608 669 G HA2 0.477 4.428 3.960 -0.015 0.000 0.291 669 G HA3 0.477 4.428 3.960 -0.015 0.000 0.291 669 G C -3.088 171.112 174.900 -1.166 0.000 1.425 669 G CA -1.144 42.802 45.100 -1.923 0.000 0.787 669 G HN -0.422 nan 8.290 nan 0.000 0.484 670 P HA 0.315 nan 4.420 nan 0.000 0.276 670 P C -0.429 176.559 177.300 -0.520 0.000 1.252 670 P CA -0.418 62.182 63.100 -0.835 0.000 0.802 670 P CB 1.218 32.791 31.700 -0.213 0.000 1.035 671 R N 0.651 120.940 120.500 -0.352 0.000 2.594 671 R HA 0.179 4.510 4.340 -0.015 0.000 0.272 671 R C 1.813 178.016 176.300 -0.161 0.000 1.074 671 R CA -0.490 55.479 56.100 -0.218 0.000 1.105 671 R CB 0.071 30.296 30.300 -0.125 0.000 1.008 671 R HN 0.474 nan 8.270 nan 0.000 0.472 672 L N 2.068 123.204 121.223 -0.145 0.000 2.089 672 L HA -0.313 4.018 4.340 -0.015 0.000 0.213 672 L C 1.868 178.691 176.870 -0.079 0.000 1.079 672 L CA 2.239 57.009 54.840 -0.115 0.000 0.758 672 L CB -0.647 41.346 42.059 -0.111 0.000 0.891 672 L HN 0.769 nan 8.230 nan 0.000 0.433 673 N N -1.075 117.586 118.700 -0.064 0.000 2.512 673 N HA -0.180 4.551 4.740 -0.015 0.000 0.183 673 N C 1.069 176.562 175.510 -0.028 0.000 1.073 673 N CA 1.032 54.059 53.050 -0.039 0.000 0.911 673 N CB -0.367 38.104 38.487 -0.028 0.000 0.964 673 N HN 0.382 nan 8.380 nan 0.000 0.447 674 N N -0.838 117.840 118.700 -0.037 0.000 2.268 674 N HA 0.121 4.852 4.740 -0.015 0.000 0.204 674 N C -0.653 174.850 175.510 -0.011 0.000 1.124 674 N CA -0.113 52.926 53.050 -0.018 0.000 0.838 674 N CB 0.337 38.817 38.487 -0.011 0.000 0.994 674 N HN 0.327 nan 8.380 nan 0.000 0.489 675 Q N -0.247 119.541 119.800 -0.021 0.000 2.544 675 Q HA 0.485 4.816 4.340 -0.015 0.000 0.291 675 Q C -1.328 174.669 176.000 -0.004 0.000 1.068 675 Q CA -0.871 54.930 55.803 -0.004 0.000 0.785 675 Q CB 2.966 31.689 28.738 -0.024 0.000 1.481 675 Q HN -0.114 nan 8.270 nan 0.000 0.430 676 V N 0.975 120.897 119.914 0.013 0.000 2.334 676 V HA 0.132 4.243 4.120 -0.015 0.000 0.281 676 V C -0.155 175.942 176.094 0.004 0.000 1.016 676 V CA -0.437 61.867 62.300 0.007 0.000 0.832 676 V CB 1.083 32.916 31.823 0.016 0.000 0.999 676 V HN 1.076 nan 8.190 nan 0.000 0.439 677 C N 5.255 124.547 119.300 -0.013 0.000 4.365 677 C HA -0.152 4.299 4.460 -0.015 0.000 0.299 677 C C 1.418 176.393 174.990 -0.026 0.000 1.409 677 C CA 0.843 59.849 59.018 -0.020 0.000 2.007 677 C CB -2.414 25.321 27.740 -0.008 0.000 1.264 677 C HN 1.201 nan 8.230 nan 0.000 0.777 678 R N -1.780 118.695 120.500 -0.041 0.000 3.405 678 R HA -0.240 4.092 4.340 -0.015 0.000 0.258 678 R C -0.475 175.803 176.300 -0.038 0.000 1.030 678 R CA 1.697 57.753 56.100 -0.073 0.000 0.691 678 R CB -1.797 28.428 30.300 -0.126 0.000 1.093 678 R HN 0.773 nan 8.270 nan 0.000 0.448 679 K N 0.242 120.673 120.400 0.051 0.000 2.328 679 K HA 0.698 5.010 4.320 -0.015 0.000 0.246 679 K C 0.416 177.171 176.600 0.257 0.000 0.955 679 K CA -0.361 56.032 56.287 0.175 0.000 0.817 679 K CB 2.163 34.740 32.500 0.129 0.000 1.208 679 K HN 0.392 nan 8.250 nan 0.000 0.432 680 G N 0.797 109.879 108.800 0.470 0.000 2.795 680 G HA2 -0.214 3.738 3.960 -0.015 0.000 0.664 680 G HA3 -0.214 3.738 3.960 -0.015 0.000 0.664 680 G C -0.584 174.542 174.900 0.375 0.000 1.381 680 G CA -0.925 44.441 45.100 0.443 0.000 0.853 680 G HN 0.399 nan 8.290 nan 0.000 0.545 681 L N 0.045 121.360 121.223 0.154 0.000 2.479 681 L HA 0.360 4.691 4.340 -0.015 0.000 0.248 681 L C 2.241 179.124 176.870 0.020 0.000 1.205 681 L CA 0.127 54.942 54.840 -0.042 0.000 0.817 681 L CB 0.665 42.576 42.059 -0.247 0.000 1.162 681 L HN 0.897 nan 8.230 nan 0.000 0.486 682 Q N 0.211 120.004 119.800 -0.012 0.000 2.291 682 Q HA -0.082 4.250 4.340 -0.015 0.000 0.205 682 Q C 0.590 176.601 176.000 0.018 0.000 0.970 682 Q CA 0.887 56.713 55.803 0.038 0.000 0.876 682 Q CB 0.014 28.825 28.738 0.122 0.000 0.935 682 Q HN 0.838 nan 8.270 nan 0.000 0.455 683 T N -2.117 112.442 114.554 0.009 0.000 2.855 683 T HA -0.014 4.327 4.350 -0.015 0.000 0.322 683 T C 1.040 175.751 174.700 0.018 0.000 1.088 683 T CA 0.269 62.382 62.100 0.022 0.000 1.104 683 T CB 0.923 69.817 68.868 0.043 0.000 0.996 683 T HN 0.090 nan 8.240 nan 0.000 0.549 684 T N 1.769 116.328 114.554 0.008 0.000 2.635 684 T HA -0.176 4.166 4.350 -0.015 0.000 0.267 684 T C 2.269 176.958 174.700 -0.019 0.000 1.040 684 T CA 2.356 64.453 62.100 -0.005 0.000 1.156 684 T CB -1.023 67.837 68.868 -0.013 0.000 0.863 684 T HN 1.006 nan 8.240 nan 0.000 0.430 685 T N -1.252 113.269 114.554 -0.055 0.000 3.055 685 T HA 0.290 4.632 4.350 -0.015 0.000 0.265 685 T C 1.828 176.548 174.700 0.033 0.000 1.111 685 T CA 1.080 63.148 62.100 -0.053 0.000 1.118 685 T CB -0.338 68.433 68.868 -0.162 0.000 0.909 685 T HN 0.619 nan 8.240 nan 0.000 0.501 686 G N 1.085 109.920 108.800 0.059 0.000 2.179 686 G HA2 -0.239 3.713 3.960 -0.015 0.000 0.260 686 G HA3 -0.239 3.713 3.960 -0.015 0.000 0.260 686 G C -0.028 174.995 174.900 0.206 0.000 0.977 686 G CA 0.434 45.604 45.100 0.117 0.000 0.641 686 G HN 0.712 nan 8.290 nan 0.000 0.533 687 K N -0.734 119.778 120.400 0.188 0.000 2.313 687 K HA 0.694 5.005 4.320 -0.015 0.000 0.235 687 K C 0.065 176.817 176.600 0.253 0.000 1.035 687 K CA -1.046 55.419 56.287 0.296 0.000 0.868 687 K CB 2.272 34.933 32.500 0.268 0.000 1.232 687 K HN -0.002 nan 8.250 nan 0.000 0.459 688 V N 2.507 122.619 119.914 0.329 0.000 2.446 688 V HA -0.001 4.111 4.120 -0.015 0.000 0.276 688 V C -0.201 176.042 176.094 0.247 0.000 1.030 688 V CA 0.259 62.695 62.300 0.226 0.000 1.033 688 V CB 0.047 32.014 31.823 0.240 0.000 0.993 688 V HN 0.603 nan 8.190 nan 0.000 0.477 689 E N 4.940 125.230 120.200 0.151 0.000 1.993 689 E HA 0.223 4.564 4.350 -0.015 0.000 0.271 689 E C -0.028 176.638 176.600 0.110 0.000 1.008 689 E CA -0.258 56.296 56.400 0.256 0.000 0.814 689 E CB 0.527 30.378 29.700 0.253 0.000 1.098 689 E HN 0.611 nan 8.360 nan 0.000 0.407 690 F N 1.443 121.426 119.950 0.056 0.000 2.333 690 F HA -0.026 4.492 4.527 -0.015 0.000 0.300 690 F C 1.006 176.836 175.800 0.049 0.000 1.083 690 F CA 0.770 58.723 58.000 -0.079 0.000 1.395 690 F CB 0.142 39.027 39.000 -0.192 0.000 1.056 690 F HN 0.335 nan 8.300 nan 0.000 0.529 691 I N 0.308 121.042 120.570 0.273 0.000 2.466 691 I HA 0.330 4.491 4.170 -0.015 0.000 0.279 691 I C -0.151 176.114 176.117 0.247 0.000 1.033 691 I CA -0.906 60.527 61.300 0.221 0.000 1.123 691 I CB 1.006 39.113 38.000 0.179 0.000 1.237 691 I HN -0.200 nan 8.210 nan 0.000 0.460 692 A N 4.035 126.962 122.820 0.179 0.000 2.491 692 A HA 0.258 4.569 4.320 -0.015 0.000 0.261 692 A C 1.503 179.186 177.584 0.166 0.000 1.101 692 A CA 0.123 52.262 52.037 0.169 0.000 0.772 692 A CB 0.088 19.173 19.000 0.142 0.000 1.043 692 A HN 0.863 nan 8.150 nan 0.000 0.501 693 T N 0.629 115.278 114.554 0.159 0.000 2.821 693 T HA -0.206 4.135 4.350 -0.015 0.000 0.267 693 T C 1.983 176.756 174.700 0.121 0.000 1.046 693 T CA 1.784 63.962 62.100 0.129 0.000 1.139 693 T CB -0.739 68.169 68.868 0.067 0.000 0.871 693 T HN 1.037 nan 8.240 nan 0.000 0.454 694 S N 2.551 118.331 115.700 0.133 0.000 2.356 694 S HA -0.009 4.453 4.470 -0.015 0.000 0.223 694 S C 2.133 176.802 174.600 0.116 0.000 1.032 694 S CA 1.089 59.373 58.200 0.141 0.000 1.005 694 S CB -1.065 62.273 63.200 0.230 0.000 0.867 694 S HN 0.509 nan 8.310 nan 0.000 0.449 695 L N 1.183 122.446 121.223 0.068 0.000 2.141 695 L HA 0.019 4.351 4.340 -0.015 0.000 0.209 695 L C 2.903 179.863 176.870 0.151 0.000 1.094 695 L CA 1.369 56.240 54.840 0.052 0.000 0.763 695 L CB -0.457 41.575 42.059 -0.044 0.000 0.908 695 L HN 0.372 nan 8.230 nan 0.000 0.437 696 K N 0.666 121.145 120.400 0.132 0.000 2.097 696 K HA -0.164 4.147 4.320 -0.015 0.000 0.205 696 K C 1.742 178.421 176.600 0.132 0.000 1.050 696 K CA 1.536 57.900 56.287 0.128 0.000 0.938 696 K CB -0.003 32.573 32.500 0.126 0.000 0.718 696 K HN 0.410 nan 8.250 nan 0.000 0.442 697 N N -0.374 118.412 118.700 0.143 0.000 2.084 697 N HA -0.170 4.561 4.740 -0.015 0.000 0.190 697 N C 1.690 177.315 175.510 0.192 0.000 1.030 697 N CA 1.038 54.173 53.050 0.142 0.000 0.849 697 N CB -0.189 38.377 38.487 0.132 0.000 1.012 697 N HN 0.070 nan 8.380 nan 0.000 0.423 698 F N 2.677 122.643 119.950 0.027 0.000 2.095 698 F HA -0.196 4.322 4.527 -0.015 0.000 0.298 698 F C 2.351 178.215 175.800 0.106 0.000 1.104 698 F CA 1.539 59.544 58.000 0.009 0.000 1.232 698 F CB -0.335 38.617 39.000 -0.080 0.000 0.987 698 F HN 0.143 nan 8.300 nan 0.000 0.475 699 E N -0.662 119.605 120.200 0.112 0.000 2.152 699 E HA -0.183 4.158 4.350 -0.015 0.000 0.192 699 E C 1.794 178.395 176.600 0.003 0.000 0.983 699 E CA 1.381 57.789 56.400 0.013 0.000 0.818 699 E CB -0.745 28.998 29.700 0.071 0.000 0.758 699 E HN 0.558 nan 8.360 nan 0.000 0.467 700 E N 0.982 121.208 120.200 0.043 0.000 2.274 700 E HA -0.118 4.223 4.350 -0.015 0.000 0.194 700 E C 1.807 178.414 176.600 0.011 0.000 0.996 700 E CA 0.573 56.990 56.400 0.029 0.000 0.840 700 E CB 0.020 29.750 29.700 0.050 0.000 0.772 700 E HN 0.372 nan 8.360 nan 0.000 0.491 701 Q N -0.603 119.217 119.800 0.033 0.000 2.482 701 Q HA 0.026 4.357 4.340 -0.015 0.000 0.209 701 Q C 0.964 176.905 176.000 -0.099 0.000 0.961 701 Q CA 0.549 56.374 55.803 0.037 0.000 0.945 701 Q CB 0.635 29.474 28.738 0.168 0.000 1.012 701 Q HN 0.403 nan 8.270 nan 0.000 0.515 702 G N -0.290 108.415 108.800 -0.157 0.000 2.179 702 G HA2 -0.254 3.697 3.960 -0.015 0.000 0.220 702 G HA3 -0.254 3.697 3.960 -0.015 0.000 0.220 702 G C -0.389 174.241 174.900 -0.450 0.000 0.990 702 G CA -0.559 44.366 45.100 -0.291 0.000 0.646 702 G HN 0.333 nan 8.290 nan 0.000 0.517 703 Y N 1.944 121.946 120.300 -0.496 0.000 2.724 703 Y HA 0.461 5.002 4.550 -0.015 0.000 0.332 703 Y C 1.002 176.727 175.900 -0.292 0.000 1.276 703 Y CA -1.080 56.606 58.100 -0.689 0.000 1.597 703 Y CB 0.103 37.351 38.460 -2.021 0.000 1.584 703 Y HN 0.073 nan 8.280 nan 0.000 0.478 704 I N 2.547 123.137 120.570 0.034 0.000 2.517 704 I HA 0.015 4.176 4.170 -0.015 0.000 0.285 704 I C 0.119 176.371 176.117 0.225 0.000 1.106 704 I CA 0.137 61.496 61.300 0.099 0.000 1.402 704 I CB 0.502 38.527 38.000 0.041 0.000 1.399 704 I HN 0.463 nan 8.210 nan 0.000 0.535 705 D N 5.574 126.110 120.400 0.226 0.000 2.336 705 D HA 0.084 4.715 4.640 -0.015 0.000 0.248 705 D C 0.832 177.228 176.300 0.160 0.000 1.326 705 D CA -0.362 53.783 54.000 0.241 0.000 0.973 705 D CB 0.882 41.938 40.800 0.427 0.000 1.255 705 D HN 0.635 nan 8.370 nan 0.000 0.558 706 E N 1.765 122.023 120.200 0.097 0.000 2.171 706 E HA -0.249 4.092 4.350 -0.015 0.000 0.197 706 E C 0.240 176.774 176.600 -0.110 0.000 0.997 706 E CA 1.238 57.628 56.400 -0.016 0.000 0.810 706 E CB 0.130 29.788 29.700 -0.070 0.000 0.738 706 E HN 0.533 nan 8.360 nan 0.000 0.467 707 H N -0.908 118.231 119.070 0.115 0.000 2.555 707 H HA 0.250 4.797 4.556 -0.015 0.000 0.283 707 H C 0.108 175.525 175.328 0.149 0.000 1.037 707 H CA 0.291 56.429 56.048 0.150 0.000 1.169 707 H CB 0.320 30.212 29.762 0.217 0.000 1.375 707 H HN -0.109 nan 8.280 nan 0.000 0.582 708 R N 1.358 121.973 120.500 0.192 0.000 2.797 708 R HA 0.136 4.467 4.340 -0.015 0.000 0.230 708 R C -3.219 173.165 176.300 0.139 0.000 1.591 708 R CA -1.432 54.773 56.100 0.175 0.000 1.501 708 R CB 0.651 31.076 30.300 0.209 0.000 1.524 708 R HN 0.112 nan 8.270 nan 0.000 0.711 709 P HA 0.057 nan 4.420 nan 0.000 0.274 709 P C 0.653 178.004 177.300 0.086 0.000 1.231 709 P CA -0.009 63.139 63.100 0.079 0.000 0.790 709 P CB 1.463 33.184 31.700 0.035 0.000 0.951 710 S N 2.225 117.976 115.700 0.085 0.000 2.383 710 S HA -0.131 4.330 4.470 -0.015 0.000 0.229 710 S C 1.159 175.824 174.600 0.108 0.000 1.030 710 S CA 0.707 58.961 58.200 0.091 0.000 1.002 710 S CB -0.582 62.679 63.200 0.102 0.000 0.829 710 S HN 0.607 nan 8.310 nan 0.000 0.467 711 M N 2.522 122.183 119.600 0.102 0.000 2.233 711 M HA 0.274 4.745 4.480 -0.015 0.000 0.355 711 M C -0.370 176.038 176.300 0.178 0.000 1.191 711 M CA -0.643 54.744 55.300 0.145 0.000 1.101 711 M CB 0.843 33.500 32.600 0.095 0.000 1.592 711 M HN 0.347 nan 8.290 nan 0.000 0.461 712 H N 4.251 123.430 119.070 0.183 0.000 3.082 712 H HA 0.287 4.835 4.556 -0.015 0.000 0.275 712 H C -0.881 174.736 175.328 0.481 0.000 1.032 712 H CA 0.761 56.964 56.048 0.258 0.000 1.477 712 H CB 0.091 29.932 29.762 0.132 0.000 1.520 712 H HN 0.742 nan 8.280 nan 0.000 0.521 713 T N 1.498 116.119 114.554 0.112 0.000 2.804 713 T HA 0.179 4.520 4.350 -0.015 0.000 0.290 713 T C -0.743 174.103 174.700 0.243 0.000 1.099 713 T CA -1.023 60.994 62.100 -0.137 0.000 1.011 713 T CB 0.560 69.081 68.868 -0.579 0.000 1.291 713 T HN 0.459 nan 8.240 nan 0.000 0.523 714 Y N 1.748 122.037 120.300 -0.019 0.000 2.636 714 Y HA 0.512 5.053 4.550 -0.015 0.000 0.341 714 Y C -0.524 175.505 175.900 0.214 0.000 1.169 714 Y CA -1.012 57.203 58.100 0.191 0.000 1.498 714 Y CB -0.512 37.931 38.460 -0.029 0.000 1.362 714 Y HN 0.498 nan 8.280 nan 0.000 0.494 715 V N 8.814 128.722 119.914 -0.010 0.000 2.408 715 V HA 0.222 4.333 4.120 -0.015 0.000 0.267 715 V C -1.985 173.982 176.094 -0.211 0.000 1.047 715 V CA -1.979 60.273 62.300 -0.080 0.000 0.937 715 V CB 0.670 32.506 31.823 0.022 0.000 0.999 715 V HN 0.638 nan 8.190 nan 0.000 0.472 716 P HA 0.122 nan 4.420 nan 0.000 0.265 716 P C -0.180 177.118 177.300 -0.004 0.000 1.193 716 P CA 0.085 62.956 63.100 -0.381 0.000 0.765 716 P CB 0.487 31.771 31.700 -0.694 0.000 0.823 717 A N 5.069 127.937 122.820 0.080 0.000 2.524 717 A HA 0.018 4.329 4.320 -0.015 0.000 0.250 717 A C 1.324 178.947 177.584 0.065 0.000 1.078 717 A CA -0.496 51.550 52.037 0.016 0.000 0.761 717 A CB -0.439 18.523 19.000 -0.065 0.000 1.012 717 A HN 0.848 nan 8.150 nan 0.000 0.500 718 W N 1.812 123.182 121.300 0.116 0.000 2.538 718 W HA 0.001 4.651 4.660 -0.016 0.000 0.254 718 W C 0.137 176.690 176.519 0.056 0.000 1.249 718 W CA 0.780 58.164 57.345 0.066 0.000 1.253 718 W CB -0.182 29.207 29.460 -0.118 0.000 1.130 718 W HN 0.745 nan 8.180 nan 0.000 0.618 719 E N 2.093 122.276 120.200 -0.029 0.000 3.568 719 E HA 0.171 4.512 4.350 -0.015 0.000 0.213 719 E C -0.577 175.991 176.600 -0.053 0.000 1.197 719 E CA -0.190 56.224 56.400 0.024 0.000 1.126 719 E CB 0.225 29.876 29.700 -0.083 0.000 1.285 719 E HN 0.064 nan 8.360 nan 0.000 0.418 720 S N 0.372 116.090 115.700 0.030 0.000 2.638 720 S HA 0.291 4.752 4.470 -0.015 0.000 0.302 720 S C 0.912 175.521 174.600 0.015 0.000 1.096 720 S CA -0.769 57.437 58.200 0.009 0.000 0.953 720 S CB 1.691 64.934 63.200 0.072 0.000 1.107 720 S HN 0.325 nan 8.310 nan 0.000 0.503 721 Q N 0.605 120.388 119.800 -0.028 0.000 2.224 721 Q HA -0.087 4.245 4.340 -0.015 0.000 0.203 721 Q C 1.728 177.678 176.000 -0.084 0.000 0.970 721 Q CA 1.500 57.277 55.803 -0.042 0.000 0.865 721 Q CB -0.270 28.436 28.738 -0.053 0.000 0.922 721 Q HN 0.877 nan 8.270 nan 0.000 0.445 722 K N -1.325 118.968 120.400 -0.179 0.000 2.354 722 K HA 0.049 4.360 4.320 -0.015 0.000 0.194 722 K C 0.942 177.328 176.600 -0.356 0.000 1.038 722 K CA 0.441 56.547 56.287 -0.303 0.000 1.052 722 K CB 0.438 32.679 32.500 -0.432 0.000 0.861 722 K HN 0.158 nan 8.250 nan 0.000 0.535 723 H N -0.061 119.045 119.070 0.060 0.000 2.874 723 H HA 0.179 4.726 4.556 -0.015 0.000 0.264 723 H C -0.133 175.258 175.328 0.105 0.000 1.007 723 H CA -0.132 55.970 56.048 0.090 0.000 1.207 723 H CB 1.031 30.863 29.762 0.116 0.000 1.487 723 H HN 0.101 nan 8.280 nan 0.000 0.505 724 S N 1.858 117.664 115.700 0.177 0.000 2.480 724 S HA 0.205 4.666 4.470 -0.015 0.000 0.286 724 S C -1.649 173.020 174.600 0.115 0.000 1.180 724 S CA -1.408 56.892 58.200 0.167 0.000 1.075 724 S CB 1.520 64.820 63.200 0.166 0.000 0.996 724 S HN -0.080 nan 8.310 nan 0.000 0.487 725 P HA -0.043 nan 4.420 nan 0.000 0.222 725 P C 1.192 178.528 177.300 0.060 0.000 1.147 725 P CA 0.355 63.499 63.100 0.074 0.000 0.790 725 P CB 0.166 31.910 31.700 0.073 0.000 0.780 726 L N -0.537 120.746 121.223 0.099 0.000 2.141 726 L HA -0.016 4.315 4.340 -0.015 0.000 0.209 726 L C 2.253 179.169 176.870 0.076 0.000 1.094 726 L CA 1.353 56.268 54.840 0.126 0.000 0.763 726 L CB -1.897 40.297 42.059 0.226 0.000 0.908 726 L HN -0.084 nan 8.230 nan 0.000 0.437 727 A N -0.986 121.873 122.820 0.065 0.000 2.032 727 A HA -0.175 4.136 4.320 -0.015 0.000 0.221 727 A C 2.338 179.906 177.584 -0.026 0.000 1.165 727 A CA 1.779 53.834 52.037 0.030 0.000 0.645 727 A CB -0.739 18.271 19.000 0.016 0.000 0.807 727 A HN 0.258 nan 8.150 nan 0.000 0.453 728 V N -0.335 119.550 119.914 -0.048 0.000 2.343 728 V HA -0.254 3.857 4.120 -0.015 0.000 0.247 728 V C 2.404 178.413 176.094 -0.142 0.000 1.051 728 V CA 2.380 64.636 62.300 -0.074 0.000 1.036 728 V CB -0.577 31.210 31.823 -0.059 0.000 0.654 728 V HN 0.546 nan 8.190 nan 0.000 0.451 729 K N -1.269 118.965 120.400 -0.276 0.000 2.166 729 K HA 0.055 4.366 4.320 -0.015 0.000 0.201 729 K C -0.064 176.176 176.600 -0.600 0.000 1.052 729 K CA 0.604 56.571 56.287 -0.534 0.000 0.969 729 K CB 0.214 32.148 32.500 -0.944 0.000 0.761 729 K HN 0.460 nan 8.250 nan 0.000 0.459 730 Y N 1.043 121.322 120.300 -0.035 0.000 2.842 730 Y HA 0.207 4.747 4.550 -0.017 0.000 0.334 730 Y C -1.948 173.912 175.900 -0.067 0.000 1.019 730 Y CA -2.986 55.062 58.100 -0.087 0.000 1.258 730 Y CB 0.912 39.313 38.460 -0.097 0.000 1.106 730 Y HN 0.035 nan 8.280 nan 0.000 0.545 731 P HA -0.078 nan 4.420 nan 0.000 0.225 731 P C 0.010 177.309 177.300 -0.001 0.000 1.156 731 P CA 0.899 64.001 63.100 0.003 0.000 0.787 731 P CB 0.914 32.605 31.700 -0.014 0.000 0.802 732 L N 0.218 121.440 121.223 -0.002 0.000 2.305 732 L HA 0.482 4.813 4.340 -0.015 0.000 0.281 732 L C 1.069 177.927 176.870 -0.020 0.000 1.085 732 L CA -0.778 54.052 54.840 -0.016 0.000 0.813 732 L CB 1.049 43.091 42.059 -0.028 0.000 1.157 732 L HN -0.118 nan 8.230 nan 0.000 0.436 733 G N 3.970 112.757 108.800 -0.022 0.000 2.320 733 G HA2 0.516 4.467 3.960 -0.015 0.000 0.300 733 G HA3 0.516 4.467 3.960 -0.015 0.000 0.300 733 G C -0.672 174.210 174.900 -0.029 0.000 1.126 733 G CA -0.469 44.614 45.100 -0.028 0.000 0.896 733 G HN 0.564 nan 8.290 nan 0.000 0.436 734 M N 3.814 123.387 119.600 -0.044 0.000 2.364 734 M HA 0.688 5.159 4.480 -0.015 0.000 0.334 734 M C -0.896 175.367 176.300 -0.062 0.000 1.107 734 M CA -0.991 54.277 55.300 -0.054 0.000 0.988 734 M CB 1.665 34.222 32.600 -0.072 0.000 1.673 734 M HN 0.475 nan 8.290 nan 0.000 0.441 735 L N 2.709 123.888 121.223 -0.074 0.000 2.342 735 L HA 0.870 5.201 4.340 -0.015 0.000 0.271 735 L C -0.788 175.961 176.870 -0.201 0.000 1.008 735 L CA -0.600 54.192 54.840 -0.081 0.000 0.818 735 L CB 2.134 44.188 42.059 -0.009 0.000 1.296 735 L HN 0.780 nan 8.230 nan 0.000 0.427 736 S N 0.411 116.025 115.700 -0.142 0.000 2.204 736 S HA 0.535 4.996 4.470 -0.015 0.000 0.147 736 S C -2.650 171.962 174.600 0.019 0.000 1.711 736 S CA -1.033 57.078 58.200 -0.147 0.000 1.274 736 S CB 0.322 63.481 63.200 -0.069 0.000 1.257 736 S HN 0.534 nan 8.310 nan 0.000 0.404 737 P HA 0.140 nan 4.420 nan 0.000 0.274 737 P C -0.075 177.518 177.300 0.489 0.000 1.264 737 P CA -0.256 63.027 63.100 0.304 0.000 0.795 737 P CB 0.243 32.159 31.700 0.360 0.000 1.064 738 H N 0.526 119.676 119.070 0.133 0.000 2.732 738 H HA 0.098 4.645 4.556 -0.015 0.000 0.351 738 H C -1.648 173.512 175.328 -0.279 0.000 1.090 738 H CA -1.719 54.300 56.048 -0.049 0.000 1.431 738 H CB -0.214 29.419 29.762 -0.216 0.000 1.447 738 H HN 0.344 nan 8.280 nan 0.000 0.582 739 P HA -0.079 nan 4.420 nan 0.000 0.264 739 P C 0.572 177.529 177.300 -0.571 0.000 1.193 739 P CA -0.001 62.838 63.100 -0.436 0.000 0.763 739 P CB 1.037 32.761 31.700 0.039 0.000 0.810 740 R N 4.099 124.041 120.500 -0.929 0.000 2.081 740 R HA -0.063 4.269 4.340 -0.015 0.000 0.235 740 R C 1.017 176.918 176.300 -0.664 0.000 1.131 740 R CA 1.802 57.413 56.100 -0.815 0.000 0.960 740 R CB -1.020 28.634 30.300 -1.077 0.000 0.856 740 R HN 0.435 nan 8.270 nan 0.000 0.436 741 F N -0.109 119.795 119.950 -0.078 0.000 2.730 741 F HA 0.446 4.964 4.527 -0.015 0.000 0.295 741 F C 0.037 175.846 175.800 0.016 0.000 1.143 741 F CA -0.265 57.712 58.000 -0.038 0.000 1.367 741 F CB 0.524 39.413 39.000 -0.184 0.000 0.970 741 F HN -0.051 nan 8.300 nan 0.000 0.514 742 S N 0.650 116.432 115.700 0.136 0.000 2.543 742 S HA 0.424 4.885 4.470 -0.015 0.000 0.274 742 S C -1.124 173.131 174.600 -0.573 0.000 1.149 742 S CA -0.717 57.420 58.200 -0.105 0.000 0.866 742 S CB 1.204 64.406 63.200 0.003 0.000 1.111 742 S HN 0.029 nan 8.310 nan 0.000 0.457 743 M N 5.546 124.538 119.600 -1.013 0.000 2.435 743 M HA 0.322 4.793 4.480 -0.015 0.000 0.344 743 M C 0.413 176.480 176.300 -0.388 0.000 1.329 743 M CA 0.824 55.585 55.300 -0.899 0.000 1.320 743 M CB -1.836 30.255 32.600 -0.848 0.000 1.309 743 M HN 0.954 nan 8.290 nan 0.000 0.451 744 H N 0.394 119.295 119.070 -0.283 0.000 1.452 744 H HA -0.261 4.286 4.556 -0.015 0.000 0.090 744 H C 1.209 176.452 175.328 -0.142 0.000 0.910 744 H CA 2.540 58.467 56.048 -0.202 0.000 1.901 744 H CB -1.417 28.237 29.762 -0.180 0.000 2.257 744 H HN 0.620 nan 8.280 nan 0.000 0.961 745 T N 0.285 114.860 114.554 0.035 0.000 3.085 745 T HA 0.121 4.462 4.350 -0.015 0.000 0.263 745 T C 1.344 175.966 174.700 -0.130 0.000 1.127 745 T CA 1.049 63.114 62.100 -0.059 0.000 1.103 745 T CB -0.150 68.669 68.868 -0.081 0.000 0.921 745 T HN 0.273 nan 8.240 nan 0.000 0.510 746 M N 2.090 121.622 119.600 -0.113 0.000 2.775 746 M HA 0.458 4.930 4.480 -0.015 0.000 0.313 746 M C 1.301 177.483 176.300 -0.196 0.000 1.429 746 M CA 0.256 55.452 55.300 -0.174 0.000 1.494 746 M CB 0.168 32.772 32.600 0.007 0.000 1.274 746 M HN 0.563 nan 8.290 nan 0.000 0.491 747 G N 1.051 109.696 108.800 -0.259 0.000 3.768 747 G HA2 -0.151 3.800 3.960 -0.015 0.000 0.214 747 G HA3 -0.151 3.800 3.960 -0.015 0.000 0.214 747 G C -0.281 174.518 174.900 -0.168 0.000 1.058 747 G CA -0.620 44.378 45.100 -0.170 0.000 0.890 747 G HN 0.538 nan 8.290 nan 0.000 0.393 748 D N 0.830 121.187 120.400 -0.071 0.000 2.344 748 D HA 0.506 5.137 4.640 -0.015 0.000 0.244 748 D C 1.357 177.615 176.300 -0.069 0.000 1.134 748 D CA 1.960 56.018 54.000 0.097 0.000 0.930 748 D CB 0.662 41.641 40.800 0.300 0.000 1.175 748 D HN 1.350 nan 8.370 nan 0.000 0.437 749 G N 2.083 110.873 108.800 -0.018 0.000 2.574 749 G HA2 -0.361 3.590 3.960 -0.015 0.000 0.282 749 G HA3 -0.361 3.590 3.960 -0.015 0.000 0.282 749 G C 0.093 174.879 174.900 -0.190 0.000 1.257 749 G CA 0.451 45.484 45.100 -0.111 0.000 0.956 749 G HN 0.900 nan 8.290 nan 0.000 0.560 750 K N -1.017 119.271 120.400 -0.186 0.000 3.193 750 K HA -0.336 3.975 4.320 -0.015 0.000 0.294 750 K C 0.712 177.239 176.600 -0.123 0.000 1.185 750 K CA 1.281 57.452 56.287 -0.193 0.000 0.866 750 K CB -1.521 30.677 32.500 -0.503 0.000 1.227 750 K HN 1.861 nan 8.250 nan 0.000 0.467 751 N N -0.057 118.583 118.700 -0.100 0.000 2.735 751 N HA -0.194 4.537 4.740 -0.015 0.000 0.248 751 N C -0.225 175.244 175.510 -0.069 0.000 1.083 751 N CA 1.084 54.096 53.050 -0.063 0.000 0.703 751 N CB -0.648 37.842 38.487 0.004 0.000 1.005 751 N HN 0.624 nan 8.380 nan 0.000 0.550 752 S N -1.352 114.259 115.700 -0.148 0.000 2.624 752 S HA 0.270 4.731 4.470 -0.015 0.000 0.263 752 S C 1.258 175.866 174.600 0.013 0.000 1.287 752 S CA -0.430 57.656 58.200 -0.191 0.000 0.990 752 S CB 0.530 63.577 63.200 -0.256 0.000 0.950 752 S HN 0.178 nan 8.310 nan 0.000 0.561 753 Y N 0.325 120.654 120.300 0.049 0.000 2.352 753 Y HA 0.021 4.562 4.550 -0.015 0.000 0.292 753 Y C 2.255 178.207 175.900 0.086 0.000 1.136 753 Y CA 0.401 58.613 58.100 0.186 0.000 1.227 753 Y CB -1.237 37.276 38.460 0.089 0.000 0.991 753 Y HN 0.500 nan 8.280 nan 0.000 0.545 754 M N 0.053 119.689 119.600 0.059 0.000 2.279 754 M HA -0.182 4.289 4.480 -0.015 0.000 0.264 754 M C 1.517 177.683 176.300 -0.223 0.000 1.062 754 M CA 1.122 56.335 55.300 -0.144 0.000 1.099 754 M CB -0.666 31.780 32.600 -0.256 0.000 1.394 754 M HN 0.150 nan 8.290 nan 0.000 0.426 755 N N -0.882 117.706 118.700 -0.187 0.000 2.520 755 N HA -0.124 4.608 4.740 -0.015 0.000 0.185 755 N C 0.897 176.188 175.510 -0.366 0.000 1.068 755 N CA 1.116 54.040 53.050 -0.209 0.000 0.911 755 N CB -0.129 38.137 38.487 -0.369 0.000 0.961 755 N HN 0.519 nan 8.380 nan 0.000 0.446 756 Y N 0.567 120.848 120.300 -0.031 0.000 2.482 756 Y HA 0.297 4.838 4.550 -0.014 0.000 0.270 756 Y C 0.971 176.803 175.900 -0.113 0.000 1.152 756 Y CA -0.413 57.653 58.100 -0.057 0.000 1.292 756 Y CB 0.241 38.667 38.460 -0.056 0.000 1.070 756 Y HN -0.112 nan 8.280 nan 0.000 0.528 757 I N 1.625 122.136 120.570 -0.098 0.000 2.598 757 I HA -0.105 4.057 4.170 -0.015 0.000 0.284 757 I C 1.194 177.185 176.117 -0.211 0.000 1.140 757 I CA 0.301 61.434 61.300 -0.278 0.000 1.420 757 I CB 1.054 38.636 38.000 -0.698 0.000 1.387 757 I HN 0.245 nan 8.210 nan 0.000 0.553 758 K N 3.352 123.658 120.400 -0.157 0.000 2.074 758 K HA -0.227 4.084 4.320 -0.015 0.000 0.209 758 K C 0.969 177.532 176.600 -0.062 0.000 1.048 758 K CA 1.645 57.884 56.287 -0.080 0.000 0.926 758 K CB -0.093 32.377 32.500 -0.050 0.000 0.713 758 K HN 0.573 nan 8.250 nan 0.000 0.444 759 D N -0.702 119.658 120.400 -0.067 0.000 2.370 759 D HA -0.022 4.609 4.640 -0.015 0.000 0.230 759 D C 0.930 177.332 176.300 0.170 0.000 1.143 759 D CA 0.258 54.315 54.000 0.096 0.000 0.834 759 D CB 0.220 41.191 40.800 0.284 0.000 0.944 759 D HN 0.241 nan 8.370 nan 0.000 0.504 760 H N -0.724 118.258 119.070 -0.147 0.000 2.317 760 H HA 0.436 4.984 4.556 -0.014 0.000 0.291 760 H C 0.053 175.233 175.328 -0.247 0.000 0.999 760 H CA 0.588 56.543 56.048 -0.155 0.000 1.336 760 H CB 0.611 30.234 29.762 -0.231 0.000 1.485 760 H HN -0.186 nan 8.280 nan 0.000 0.597 761 R N -0.039 120.346 120.500 -0.192 0.000 2.771 761 R HA 0.559 4.890 4.340 -0.015 0.000 0.274 761 R C -1.628 174.636 176.300 -0.060 0.000 0.987 761 R CA -1.062 54.935 56.100 -0.173 0.000 0.908 761 R CB 3.156 33.376 30.300 -0.134 0.000 1.213 761 R HN -0.001 nan 8.270 nan 0.000 0.468 762 V N 1.504 121.425 119.914 0.012 0.000 2.444 762 V HA 0.222 4.333 4.120 -0.015 0.000 0.294 762 V C -0.264 175.911 176.094 0.135 0.000 1.022 762 V CA -0.717 61.620 62.300 0.061 0.000 0.850 762 V CB 1.541 33.406 31.823 0.070 0.000 0.992 762 V HN 0.709 nan 8.190 nan 0.000 0.426 763 E N 3.861 124.121 120.200 0.100 0.000 2.223 763 E HA 0.479 4.820 4.350 -0.015 0.000 0.282 763 E C -1.379 175.340 176.600 0.198 0.000 1.046 763 E CA -0.228 56.251 56.400 0.131 0.000 0.857 763 E CB 1.281 31.027 29.700 0.077 0.000 1.055 763 E HN 0.500 nan 8.360 nan 0.000 0.409 764 V N 5.534 125.646 119.914 0.331 0.000 2.447 764 V HA 0.123 4.234 4.120 -0.015 0.000 0.292 764 V C -0.559 175.737 176.094 0.337 0.000 1.021 764 V CA -0.773 61.708 62.300 0.300 0.000 0.850 764 V CB 1.659 33.642 31.823 0.267 0.000 1.005 764 V HN 0.903 nan 8.190 nan 0.000 0.426 765 D N 4.375 124.903 120.400 0.213 0.000 2.699 765 D HA -0.193 4.438 4.640 -0.015 0.000 0.239 765 D C 1.319 177.737 176.300 0.198 0.000 1.136 765 D CA 1.691 55.802 54.000 0.186 0.000 0.668 765 D CB -0.916 39.999 40.800 0.191 0.000 1.060 765 D HN 1.438 nan 8.370 nan 0.000 0.429 766 G N -0.663 108.238 108.800 0.169 0.000 2.205 766 G HA2 -0.375 3.576 3.960 -0.015 0.000 0.261 766 G HA3 -0.375 3.576 3.960 -0.015 0.000 0.261 766 G C 0.007 174.995 174.900 0.146 0.000 0.980 766 G CA 0.570 45.754 45.100 0.140 0.000 0.632 766 G HN 0.542 nan 8.290 nan 0.000 0.533 767 Y N 1.458 121.781 120.300 0.038 0.000 2.377 767 Y HA 0.621 5.163 4.550 -0.013 0.000 0.339 767 Y C 0.239 176.032 175.900 -0.178 0.000 1.011 767 Y CA -1.052 56.965 58.100 -0.138 0.000 1.093 767 Y CB 1.185 39.459 38.460 -0.309 0.000 1.201 767 Y HN 0.024 nan 8.280 nan 0.000 0.455 768 K N 6.504 126.511 120.400 -0.655 0.000 2.263 768 K HA 0.200 4.512 4.320 -0.015 0.000 0.282 768 K C -1.536 174.842 176.600 -0.371 0.000 1.089 768 K CA -0.286 55.783 56.287 -0.363 0.000 0.907 768 K CB 0.476 32.772 32.500 -0.342 0.000 1.148 768 K HN 0.537 nan 8.250 nan 0.000 0.470 769 Y N 1.292 121.625 120.300 0.056 0.000 2.301 769 Y HA 0.100 4.641 4.550 -0.015 0.000 0.325 769 Y C 0.620 176.590 175.900 0.117 0.000 1.203 769 Y CA -0.686 57.510 58.100 0.160 0.000 1.255 769 Y CB 0.651 39.217 38.460 0.178 0.000 1.232 769 Y HN 0.535 nan 8.280 nan 0.000 0.501 770 W N 4.342 125.704 121.300 0.102 0.000 2.150 770 W HA 0.325 4.976 4.660 -0.016 0.000 0.341 770 W C -0.969 175.567 176.519 0.028 0.000 1.276 770 W CA -0.536 56.804 57.345 -0.008 0.000 1.238 770 W CB 0.519 29.967 29.460 -0.020 0.000 1.128 770 W HN 0.421 nan 8.180 nan 0.000 0.581 771 I N 6.024 126.391 120.570 -0.339 0.000 2.428 771 I HA 0.267 4.428 4.170 -0.015 0.000 0.296 771 I C 0.272 176.327 176.117 -0.103 0.000 0.985 771 I CA -0.618 60.569 61.300 -0.189 0.000 1.260 771 I CB 1.597 39.455 38.000 -0.236 0.000 1.389 771 I HN 0.255 nan 8.210 nan 0.000 0.484 772 M N 6.105 125.691 119.600 -0.024 0.000 2.259 772 M HA 0.480 4.952 4.480 -0.015 0.000 0.304 772 M C -1.216 175.063 176.300 -0.034 0.000 1.019 772 M CA -0.501 54.792 55.300 -0.010 0.000 0.922 772 M CB 1.492 34.104 32.600 0.020 0.000 1.600 772 M HN 0.493 nan 8.290 nan 0.000 0.433 773 R N 3.142 123.610 120.500 -0.054 0.000 2.297 773 R HA 0.697 5.028 4.340 -0.015 0.000 0.308 773 R C -1.255 175.025 176.300 -0.035 0.000 1.029 773 R CA -0.631 55.426 56.100 -0.072 0.000 0.929 773 R CB 1.502 31.694 30.300 -0.180 0.000 1.046 773 R HN 0.514 nan 8.270 nan 0.000 0.461 774 V N 2.564 122.467 119.914 -0.017 0.000 2.789 774 V HA 0.204 4.315 4.120 -0.015 0.000 0.311 774 V C -0.130 175.970 176.094 0.011 0.000 1.073 774 V CA -1.178 61.122 62.300 0.001 0.000 0.921 774 V CB 1.951 33.776 31.823 0.004 0.000 1.009 774 V HN 0.750 nan 8.190 nan 0.000 0.426 775 N N 2.030 120.743 118.700 0.023 0.000 2.513 775 N HA -0.003 4.728 4.740 -0.015 0.000 0.268 775 N C 1.518 177.041 175.510 0.022 0.000 1.180 775 N CA 0.692 53.761 53.050 0.032 0.000 0.948 775 N CB 1.691 40.203 38.487 0.040 0.000 1.083 775 N HN 0.881 nan 8.380 nan 0.000 0.455 776 S N 4.384 120.097 115.700 0.022 0.000 2.392 776 S HA -0.205 4.256 4.470 -0.015 0.000 0.232 776 S C 2.016 176.625 174.600 0.015 0.000 1.041 776 S CA 0.996 59.206 58.200 0.017 0.000 1.026 776 S CB -0.435 62.776 63.200 0.017 0.000 0.845 776 S HN 0.679 nan 8.310 nan 0.000 0.465 777 I N 2.393 122.973 120.570 0.015 0.000 2.226 777 I HA -0.166 3.996 4.170 -0.015 0.000 0.245 777 I C 2.204 178.327 176.117 0.010 0.000 1.100 777 I CA 1.673 62.979 61.300 0.011 0.000 1.374 777 I CB -0.516 37.489 38.000 0.008 0.000 1.057 777 I HN 0.289 nan 8.210 nan 0.000 0.413 778 D N 1.125 121.531 120.400 0.011 0.000 2.178 778 D HA -0.104 4.527 4.640 -0.015 0.000 0.202 778 D C 2.231 178.540 176.300 0.014 0.000 0.974 778 D CA 1.415 55.421 54.000 0.010 0.000 0.841 778 D CB -0.021 40.784 40.800 0.009 0.000 0.953 778 D HN 0.347 nan 8.370 nan 0.000 0.478 779 A N 1.471 124.300 122.820 0.015 0.000 1.855 779 A HA -0.184 4.127 4.320 -0.015 0.000 0.215 779 A C 2.156 179.751 177.584 0.019 0.000 1.191 779 A CA 1.349 53.397 52.037 0.018 0.000 0.613 779 A CB -0.433 18.577 19.000 0.016 0.000 0.829 779 A HN 0.048 nan 8.150 nan 0.000 0.442 780 E N 0.706 120.915 120.200 0.016 0.000 2.058 780 E HA -0.200 4.141 4.350 -0.015 0.000 0.194 780 E C 2.094 178.704 176.600 0.016 0.000 0.997 780 E CA 1.541 57.950 56.400 0.015 0.000 0.801 780 E CB -0.442 29.265 29.700 0.012 0.000 0.746 780 E HN 0.446 nan 8.360 nan 0.000 0.450 781 A N 0.770 123.600 122.820 0.015 0.000 2.125 781 A HA -0.119 4.192 4.320 -0.015 0.000 0.219 781 A C 2.017 179.615 177.584 0.023 0.000 1.156 781 A CA 1.234 53.281 52.037 0.016 0.000 0.671 781 A CB -0.292 18.715 19.000 0.013 0.000 0.794 781 A HN 0.192 nan 8.150 nan 0.000 0.459 782 R N -1.973 118.543 120.500 0.027 0.000 2.472 782 R HA 0.279 4.610 4.340 -0.015 0.000 0.279 782 R C 1.021 177.343 176.300 0.037 0.000 0.953 782 R CA 0.429 56.551 56.100 0.037 0.000 1.088 782 R CB 0.302 30.628 30.300 0.044 0.000 1.197 782 R HN 0.571 nan 8.270 nan 0.000 0.536 783 G N 1.937 110.755 108.800 0.029 0.000 2.179 783 G HA2 -0.278 3.673 3.960 -0.015 0.000 0.257 783 G HA3 -0.278 3.673 3.960 -0.015 0.000 0.257 783 G C 0.093 175.011 174.900 0.029 0.000 1.010 783 G CA 0.010 45.126 45.100 0.026 0.000 0.736 783 G HN 0.254 nan 8.290 nan 0.000 0.513 784 I N 0.285 120.873 120.570 0.029 0.000 2.342 784 I HA 0.372 4.533 4.170 -0.015 0.000 0.291 784 I C 0.620 176.750 176.117 0.022 0.000 1.010 784 I CA -0.282 61.035 61.300 0.029 0.000 1.308 784 I CB 1.193 39.212 38.000 0.032 0.000 1.400 784 I HN -0.018 nan 8.210 nan 0.000 0.488 785 K N 4.621 125.033 120.400 0.020 0.000 2.281 785 K HA 0.294 4.606 4.320 -0.015 0.000 0.242 785 K C -0.225 176.384 176.600 0.014 0.000 0.971 785 K CA -0.960 55.336 56.287 0.016 0.000 0.834 785 K CB 1.543 34.052 32.500 0.015 0.000 1.181 785 K HN 0.524 nan 8.250 nan 0.000 0.435 786 N N 0.712 119.418 118.700 0.011 0.000 2.359 786 N HA -0.122 4.609 4.740 -0.015 0.000 0.261 786 N C 0.563 176.080 175.510 0.012 0.000 1.267 786 N CA 1.394 54.450 53.050 0.009 0.000 0.864 786 N CB 0.222 38.714 38.487 0.007 0.000 1.063 786 N HN 0.846 nan 8.380 nan 0.000 0.474 787 G N 2.650 111.457 108.800 0.012 0.000 2.217 787 G HA2 -0.222 3.729 3.960 -0.015 0.000 0.246 787 G HA3 -0.222 3.729 3.960 -0.015 0.000 0.246 787 G C -0.215 174.692 174.900 0.012 0.000 0.990 787 G CA -0.097 45.013 45.100 0.016 0.000 0.627 787 G HN 0.634 nan 8.290 nan 0.000 0.522 788 D N 0.568 120.976 120.400 0.012 0.000 2.399 788 D HA 0.438 5.069 4.640 -0.015 0.000 0.241 788 D C 1.098 177.398 176.300 -0.001 0.000 1.133 788 D CA -0.017 53.991 54.000 0.014 0.000 0.890 788 D CB 0.734 41.550 40.800 0.026 0.000 1.201 788 D HN 0.289 nan 8.370 nan 0.000 0.432 789 L N 2.655 123.878 121.223 -0.000 0.000 2.319 789 L HA 0.376 4.707 4.340 -0.015 0.000 0.280 789 L C 0.497 177.417 176.870 0.084 0.000 1.099 789 L CA -0.432 54.389 54.840 -0.031 0.000 0.828 789 L CB 0.232 42.283 42.059 -0.013 0.000 1.150 789 L HN 0.270 nan 8.230 nan 0.000 0.442 790 I N 0.805 121.396 120.570 0.035 0.000 3.067 790 I HA 0.633 4.794 4.170 -0.015 0.000 0.312 790 I C -0.614 175.517 176.117 0.023 0.000 1.073 790 I CA -1.078 60.270 61.300 0.081 0.000 1.016 790 I CB 2.216 40.248 38.000 0.052 0.000 1.227 790 I HN 0.565 nan 8.210 nan 0.000 0.456 791 R N 2.802 123.346 120.500 0.072 0.000 2.360 791 R HA 0.762 5.093 4.340 -0.015 0.000 0.318 791 R C -1.329 175.030 176.300 0.097 0.000 0.950 791 R CA -0.494 55.608 56.100 0.003 0.000 0.837 791 R CB 1.699 32.006 30.300 0.011 0.000 1.165 791 R HN 0.962 nan 8.270 nan 0.000 0.458 792 A N 4.680 127.517 122.820 0.028 0.000 2.292 792 A HA 0.578 4.889 4.320 -0.015 0.000 0.319 792 A C -1.379 176.227 177.584 0.036 0.000 1.206 792 A CA -0.535 51.504 52.037 0.003 0.000 0.835 792 A CB 0.448 19.419 19.000 -0.048 0.000 1.164 792 A HN 0.807 nan 8.150 nan 0.000 0.505 793 Y N 0.715 120.932 120.300 -0.138 0.000 2.689 793 Y HA 0.769 5.314 4.550 -0.009 0.000 0.333 793 Y C -0.652 175.049 175.900 -0.333 0.000 1.208 793 Y CA -0.986 56.999 58.100 -0.191 0.000 1.055 793 Y CB 1.123 39.508 38.460 -0.124 0.000 1.304 793 Y HN 0.828 nan 8.280 nan 0.000 0.455 794 N N -1.776 116.737 118.700 -0.312 0.000 3.496 794 N HA 0.196 4.927 4.740 -0.015 0.000 0.331 794 N C -0.666 174.698 175.510 -0.242 0.000 1.532 794 N CA -0.273 52.199 53.050 -0.962 0.000 0.863 794 N CB 0.030 37.885 38.487 -1.054 0.000 1.927 794 N HN 0.527 nan 8.380 nan 0.000 0.529 795 D N -0.303 120.005 120.400 -0.152 0.000 2.178 795 D HA -0.055 4.576 4.640 -0.015 0.000 0.201 795 D C 1.282 177.662 176.300 0.134 0.000 0.980 795 D CA 1.164 55.255 54.000 0.152 0.000 0.842 795 D CB -0.074 40.829 40.800 0.173 0.000 0.948 795 D HN 0.444 nan 8.370 nan 0.000 0.472 796 R N -0.105 120.377 120.500 -0.031 0.000 2.193 796 R HA 0.269 4.600 4.340 -0.015 0.000 0.213 796 R C 1.304 177.405 176.300 -0.332 0.000 1.055 796 R CA 0.770 56.813 56.100 -0.094 0.000 0.995 796 R CB 0.334 30.567 30.300 -0.111 0.000 0.893 796 R HN 0.138 nan 8.270 nan 0.000 0.459 797 G N -1.453 107.002 108.800 -0.574 0.000 2.333 797 G HA2 0.200 4.151 3.960 -0.015 0.000 0.288 797 G HA3 0.200 4.151 3.960 -0.015 0.000 0.288 797 G C -1.429 173.058 174.900 -0.688 0.000 1.286 797 G CA -0.802 43.498 45.100 -1.333 0.000 0.865 797 G HN -0.011 nan 8.290 nan 0.000 0.506 798 S N -1.467 113.919 115.700 -0.523 0.000 2.541 798 S HA 0.791 5.252 4.470 -0.015 0.000 0.280 798 S C -0.820 173.684 174.600 -0.160 0.000 1.112 798 S CA -0.557 57.536 58.200 -0.178 0.000 0.925 798 S CB 2.021 65.161 63.200 -0.099 0.000 1.067 798 S HN 1.128 nan 8.310 nan 0.000 0.479 799 V N 3.581 123.412 119.914 -0.139 0.000 2.623 799 V HA 0.474 4.585 4.120 -0.015 0.000 0.304 799 V C -0.950 175.042 176.094 -0.170 0.000 1.054 799 V CA -0.794 61.425 62.300 -0.135 0.000 0.882 799 V CB 1.747 33.510 31.823 -0.101 0.000 1.002 799 V HN 0.735 nan 8.190 nan 0.000 0.424 800 I N 5.867 126.291 120.570 -0.243 0.000 2.342 800 I HA 0.547 4.709 4.170 -0.015 0.000 0.291 800 I C -0.131 175.934 176.117 -0.087 0.000 1.010 800 I CA -0.030 61.054 61.300 -0.359 0.000 1.308 800 I CB 0.883 38.429 38.000 -0.756 0.000 1.400 800 I HN 0.453 nan 8.210 nan 0.000 0.488 801 L N 4.415 125.596 121.223 -0.070 0.000 2.359 801 L HA 0.786 5.117 4.340 -0.015 0.000 0.256 801 L C -0.090 176.773 176.870 -0.011 0.000 1.026 801 L CA -0.937 53.941 54.840 0.064 0.000 0.828 801 L CB 1.891 44.006 42.059 0.094 0.000 1.406 801 L HN 0.600 nan 8.230 nan 0.000 0.413 802 A N 0.861 123.713 122.820 0.054 0.000 2.274 802 A HA 0.813 5.124 4.320 -0.015 0.000 0.309 802 A C -0.103 177.488 177.584 0.010 0.000 1.226 802 A CA -0.352 51.691 52.037 0.010 0.000 0.853 802 A CB 0.847 19.889 19.000 0.069 0.000 1.146 802 A HN 0.721 nan 8.150 nan 0.000 0.518 803 A N 2.324 125.145 122.820 0.002 0.000 2.363 803 A HA 0.539 4.850 4.320 -0.015 0.000 0.270 803 A C 0.138 177.721 177.584 -0.002 0.000 1.121 803 A CA -0.255 51.784 52.037 0.002 0.000 0.800 803 A CB 0.250 19.255 19.000 0.009 0.000 1.052 803 A HN 0.855 nan 8.150 nan 0.000 0.493 804 Q N 2.814 122.606 119.800 -0.012 0.000 2.381 804 Q HA 0.482 4.813 4.340 -0.015 0.000 0.263 804 Q C -1.475 174.517 176.000 -0.013 0.000 1.030 804 Q CA -0.483 55.312 55.803 -0.015 0.000 0.772 804 Q CB 1.214 29.935 28.738 -0.028 0.000 1.232 804 Q HN 0.553 nan 8.270 nan 0.000 0.476 805 V N 3.759 123.670 119.914 -0.004 0.000 2.470 805 V HA 0.308 4.420 4.120 -0.015 0.000 0.276 805 V C 0.393 176.486 176.094 -0.001 0.000 1.040 805 V CA 0.247 62.548 62.300 0.000 0.000 1.008 805 V CB 1.058 32.884 31.823 0.006 0.000 0.990 805 V HN 0.819 nan 8.190 nan 0.000 0.477 806 T N 2.828 117.383 114.554 0.001 0.000 2.778 806 T HA 0.417 4.759 4.350 -0.015 0.000 0.293 806 T C 0.106 174.819 174.700 0.021 0.000 1.144 806 T CA -0.498 61.602 62.100 0.001 0.000 1.010 806 T CB 2.127 70.988 68.868 -0.013 0.000 1.325 806 T HN 0.629 nan 8.240 nan 0.000 0.515 807 E N 0.439 120.652 120.200 0.022 0.000 2.526 807 E HA 0.196 4.537 4.350 -0.015 0.000 0.208 807 E C 0.919 177.586 176.600 0.112 0.000 0.997 807 E CA 0.112 56.550 56.400 0.063 0.000 0.961 807 E CB 0.053 29.784 29.700 0.051 0.000 1.030 807 E HN 0.567 nan 8.360 nan 0.000 0.483 808 C N 1.451 120.768 119.300 0.028 0.000 2.449 808 C HA 0.308 4.760 4.460 -0.015 0.000 0.322 808 C C 0.700 175.828 174.990 0.229 0.000 1.309 808 C CA 0.005 58.977 59.018 -0.077 0.000 1.657 808 C CB -1.750 25.838 27.740 -0.253 0.000 1.718 808 C HN 0.142 nan 8.230 nan 0.000 0.596 809 L N -0.063 121.370 121.223 0.350 0.000 2.505 809 L HA 0.328 4.659 4.340 -0.015 0.000 0.259 809 L C -0.309 176.691 176.870 0.217 0.000 0.952 809 L CA -0.379 54.657 54.840 0.327 0.000 0.840 809 L CB 1.496 43.658 42.059 0.171 0.000 1.358 809 L HN 0.084 nan 8.230 nan 0.000 0.409 810 Q N 3.083 122.959 119.800 0.126 0.000 2.364 810 Q HA 0.249 4.580 4.340 -0.015 0.000 0.267 810 Q C -2.293 173.721 176.000 0.023 0.000 0.999 810 Q CA -1.358 54.455 55.803 0.017 0.000 0.886 810 Q CB 1.116 29.820 28.738 -0.057 0.000 1.243 810 Q HN 0.220 nan 8.270 nan 0.000 0.415 811 P HA -0.038 nan 4.420 nan 0.000 0.262 811 P C 0.057 177.353 177.300 -0.006 0.000 1.182 811 P CA 1.495 64.597 63.100 0.004 0.000 0.761 811 P CB 0.444 32.140 31.700 -0.006 0.000 0.795 812 G N 1.423 110.222 108.800 -0.002 0.000 2.195 812 G HA2 -0.168 3.783 3.960 -0.015 0.000 0.224 812 G HA3 -0.168 3.783 3.960 -0.015 0.000 0.224 812 G C 0.137 175.033 174.900 -0.006 0.000 0.990 812 G CA -0.111 44.983 45.100 -0.010 0.000 0.639 812 G HN 0.601 nan 8.290 nan 0.000 0.514 813 T N 1.017 115.576 114.554 0.010 0.000 2.807 813 T HA 0.674 5.015 4.350 -0.015 0.000 0.279 813 T C 0.153 174.869 174.700 0.028 0.000 0.993 813 T CA 0.145 62.258 62.100 0.021 0.000 0.970 813 T CB 2.422 71.317 68.868 0.046 0.000 0.950 813 T HN 1.347 nan 8.240 nan 0.000 0.441 814 V N 0.599 120.522 119.914 0.015 0.000 2.960 814 V HA 0.749 4.861 4.120 -0.015 0.000 0.315 814 V C -0.886 175.222 176.094 0.024 0.000 1.087 814 V CA -0.874 61.432 62.300 0.010 0.000 0.982 814 V CB 2.153 33.968 31.823 -0.013 0.000 1.039 814 V HN 0.959 nan 8.190 nan 0.000 0.437 815 H N 1.555 120.536 119.070 -0.149 0.000 2.771 815 H HA 0.736 5.283 4.556 -0.015 0.000 0.361 815 H C -1.650 173.518 175.328 -0.266 0.000 1.108 815 H CA 0.044 55.946 56.048 -0.243 0.000 1.201 815 H CB 2.180 31.689 29.762 -0.423 0.000 1.681 815 H HN 0.979 nan 8.280 nan 0.000 0.534 816 S N 4.944 120.372 115.700 -0.453 0.000 2.626 816 S HA 0.324 4.785 4.470 -0.015 0.000 0.275 816 S C -1.364 173.122 174.600 -0.190 0.000 1.175 816 S CA -0.525 57.559 58.200 -0.194 0.000 0.982 816 S CB 0.383 63.618 63.200 0.058 0.000 1.093 816 S HN 0.514 nan 8.310 nan 0.000 0.472 817 Y N 2.729 123.087 120.300 0.096 0.000 2.550 817 Y HA 0.186 4.727 4.550 -0.015 0.000 0.343 817 Y C 1.354 177.469 175.900 0.359 0.000 1.245 817 Y CA 0.112 58.333 58.100 0.201 0.000 1.462 817 Y CB 0.576 39.203 38.460 0.279 0.000 1.340 817 Y HN 0.785 nan 8.280 nan 0.000 0.604 818 E N -1.061 119.352 120.200 0.354 0.000 3.099 818 E HA 0.447 4.788 4.350 -0.015 0.000 0.259 818 E C -0.044 176.605 176.600 0.081 0.000 1.274 818 E CA -0.238 56.230 56.400 0.114 0.000 1.111 818 E CB 0.543 30.259 29.700 0.027 0.000 1.327 818 E HN 0.507 nan 8.360 nan 0.000 0.652 819 S N -2.384 113.271 115.700 -0.074 0.000 3.361 819 S HA -0.248 4.214 4.470 -0.015 0.000 0.288 819 S C 0.304 174.783 174.600 -0.202 0.000 1.269 819 S CA 0.532 58.684 58.200 -0.080 0.000 0.976 819 S CB -2.675 60.575 63.200 0.083 0.000 1.162 819 S HN 0.782 nan 8.310 nan 0.000 0.643 820 C N 2.074 121.064 119.300 -0.517 0.000 2.563 820 C HA 0.414 4.865 4.460 -0.015 0.000 0.411 820 C C 1.890 176.668 174.990 -0.353 0.000 1.386 820 C CA 0.503 59.054 59.018 -0.778 0.000 1.703 820 C CB -0.273 26.809 27.740 -1.096 0.000 2.596 820 C HN 0.799 nan 8.230 nan 0.000 0.605 821 A N 4.686 127.367 122.820 -0.232 0.000 2.147 821 A HA 0.305 4.616 4.320 -0.015 0.000 0.211 821 A C 0.626 178.130 177.584 -0.133 0.000 1.160 821 A CA 0.459 52.400 52.037 -0.159 0.000 0.781 821 A CB -0.046 18.866 19.000 -0.147 0.000 0.842 821 A HN 0.822 nan 8.150 nan 0.000 0.475 822 V N 0.506 120.340 119.914 -0.134 0.000 2.350 822 V HA 0.262 4.374 4.120 -0.015 0.000 0.276 822 V C -0.767 175.317 176.094 -0.017 0.000 1.028 822 V CA -0.505 61.749 62.300 -0.077 0.000 0.860 822 V CB 0.651 32.433 31.823 -0.068 0.000 0.990 822 V HN 0.379 nan 8.190 nan 0.000 0.453 823 Y N 4.299 124.527 120.300 -0.120 0.000 2.369 823 Y HA 0.603 5.144 4.550 -0.015 0.000 0.337 823 Y C -0.383 175.479 175.900 -0.063 0.000 0.961 823 Y CA -1.383 56.664 58.100 -0.089 0.000 1.186 823 Y CB 1.283 39.710 38.460 -0.055 0.000 1.139 823 Y HN 0.698 nan 8.280 nan 0.000 0.494 824 D N 8.957 129.080 120.400 -0.462 0.000 2.400 824 D HA 0.352 4.983 4.640 -0.015 0.000 0.272 824 D C -3.105 172.928 176.300 -0.446 0.000 1.220 824 D CA -2.296 51.472 54.000 -0.386 0.000 0.897 824 D CB 1.322 42.046 40.800 -0.127 0.000 1.134 824 D HN 0.229 nan 8.370 nan 0.000 0.507 825 P HA 0.141 nan 4.420 nan 0.000 0.271 825 P C 0.962 178.166 177.300 -0.161 0.000 1.216 825 P CA -0.242 62.647 63.100 -0.353 0.000 0.776 825 P CB 1.057 32.575 31.700 -0.302 0.000 0.881 826 L N 0.795 121.981 121.223 -0.063 0.000 2.418 826 L HA 0.191 4.522 4.340 -0.015 0.000 0.218 826 L C 1.463 178.353 176.870 0.033 0.000 1.125 826 L CA 0.828 55.671 54.840 0.006 0.000 0.835 826 L CB -0.428 41.685 42.059 0.091 0.000 0.953 826 L HN 0.544 nan 8.230 nan 0.000 0.454 827 G N -1.200 107.624 108.800 0.039 0.000 3.214 827 G HA2 0.258 4.209 3.960 -0.015 0.000 0.188 827 G HA3 0.258 4.209 3.960 -0.015 0.000 0.188 827 G C -0.728 174.203 174.900 0.052 0.000 1.126 827 G CA -0.227 44.904 45.100 0.052 0.000 0.796 827 G HN -0.150 nan 8.290 nan 0.000 0.631 828 T N 1.577 116.178 114.554 0.078 0.000 2.928 828 T HA 0.450 4.791 4.350 -0.015 0.000 0.305 828 T C 0.778 175.567 174.700 0.150 0.000 1.035 828 T CA 0.488 62.647 62.100 0.098 0.000 1.145 828 T CB 0.872 69.802 68.868 0.103 0.000 0.963 828 T HN 0.882 nan 8.240 nan 0.000 0.545 829 A N 2.445 125.377 122.820 0.187 0.000 2.546 829 A HA 0.481 4.792 4.320 -0.015 0.000 0.243 829 A C 1.692 179.490 177.584 0.356 0.000 1.063 829 A CA 0.173 52.418 52.037 0.347 0.000 0.757 829 A CB -0.876 18.402 19.000 0.463 0.000 0.991 829 A HN 1.649 nan 8.150 nan 0.000 0.503 830 G N 1.801 110.843 108.800 0.404 0.000 2.189 830 G HA2 -0.301 3.651 3.960 -0.015 0.000 0.267 830 G HA3 -0.301 3.651 3.960 -0.015 0.000 0.267 830 G C 0.666 175.701 174.900 0.225 0.000 0.975 830 G CA 1.074 46.327 45.100 0.254 0.000 0.644 830 G HN 0.840 nan 8.290 nan 0.000 0.537 831 K N -0.219 120.328 120.400 0.245 0.000 2.477 831 K HA 0.348 4.659 4.320 -0.015 0.000 0.208 831 K C 0.681 177.475 176.600 0.323 0.000 1.117 831 K CA 0.660 57.102 56.287 0.257 0.000 1.039 831 K CB 0.990 33.594 32.500 0.173 0.000 0.937 831 K HN 0.560 nan 8.250 nan 0.000 0.570 832 S N -0.603 115.287 115.700 0.317 0.000 2.720 832 S HA 0.715 5.176 4.470 -0.015 0.000 0.287 832 S C -0.522 174.243 174.600 0.274 0.000 1.168 832 S CA -1.095 57.302 58.200 0.329 0.000 0.832 832 S CB 1.493 64.809 63.200 0.195 0.000 1.166 832 S HN 0.063 nan 8.310 nan 0.000 0.493 833 A N 0.407 123.387 122.820 0.267 0.000 2.445 833 A HA 0.503 4.814 4.320 -0.015 0.000 0.242 833 A C -0.149 177.437 177.584 0.003 0.000 1.075 833 A CA 0.101 52.209 52.037 0.118 0.000 0.777 833 A CB -0.529 18.552 19.000 0.136 0.000 1.013 833 A HN 0.863 nan 8.150 nan 0.000 0.493 834 D N -0.344 120.019 120.400 -0.061 0.000 2.192 834 D HA 0.455 5.087 4.640 -0.015 0.000 0.246 834 D C 0.866 177.081 176.300 -0.141 0.000 1.042 834 D CA -0.628 53.306 54.000 -0.111 0.000 0.847 834 D CB 0.978 41.762 40.800 -0.027 0.000 1.186 834 D HN 0.507 nan 8.370 nan 0.000 0.461 835 R N 2.082 122.487 120.500 -0.158 0.000 2.437 835 R HA 0.308 4.639 4.340 -0.015 0.000 0.257 835 R C 1.385 177.701 176.300 0.027 0.000 0.927 835 R CA -0.142 55.892 56.100 -0.109 0.000 1.078 835 R CB 0.287 30.449 30.300 -0.230 0.000 1.161 835 R HN 0.395 nan 8.270 nan 0.000 0.529 836 G N 1.028 109.816 108.800 -0.020 0.000 2.408 836 G HA2 0.084 4.035 3.960 -0.015 0.000 0.217 836 G HA3 0.084 4.035 3.960 -0.015 0.000 0.217 836 G C 1.080 175.956 174.900 -0.039 0.000 1.150 836 G CA 0.803 45.911 45.100 0.014 0.000 0.776 836 G HN 0.603 nan 8.290 nan 0.000 0.542 837 G N -2.240 106.495 108.800 -0.109 0.000 2.151 837 G HA2 -0.191 3.760 3.960 -0.015 0.000 0.140 837 G HA3 -0.191 3.760 3.960 -0.015 0.000 0.140 837 G C 0.187 174.761 174.900 -0.544 0.000 1.020 837 G CA -0.150 44.788 45.100 -0.269 0.000 0.688 837 G HN 0.523 nan 8.290 nan 0.000 0.500 838 C N 2.463 121.579 119.300 -0.307 0.000 2.773 838 C HA 0.248 4.699 4.460 -0.015 0.000 0.442 838 C C 2.275 177.132 174.990 -0.221 0.000 1.028 838 C CA -0.485 58.366 59.018 -0.279 0.000 1.164 838 C CB -1.826 25.845 27.740 -0.115 0.000 1.593 838 C HN 0.458 nan 8.230 nan 0.000 0.557 839 I N 2.592 123.009 120.570 -0.255 0.000 2.423 839 I HA -0.137 4.024 4.170 -0.015 0.000 0.254 839 I C 2.090 178.126 176.117 -0.134 0.000 1.151 839 I CA 1.434 62.645 61.300 -0.147 0.000 1.421 839 I CB -0.629 37.325 38.000 -0.077 0.000 1.079 839 I HN 0.608 nan 8.210 nan 0.000 0.431 840 N N 0.814 119.422 118.700 -0.152 0.000 2.609 840 N HA -0.045 4.686 4.740 -0.015 0.000 0.190 840 N C 1.755 177.187 175.510 -0.131 0.000 1.157 840 N CA 0.467 53.436 53.050 -0.136 0.000 0.918 840 N CB -0.061 38.331 38.487 -0.159 0.000 0.978 840 N HN 0.418 nan 8.380 nan 0.000 0.448 841 I N 0.047 120.535 120.570 -0.136 0.000 2.546 841 I HA -0.168 3.993 4.170 -0.015 0.000 0.255 841 I C 1.482 177.512 176.117 -0.145 0.000 1.163 841 I CA 0.784 62.004 61.300 -0.133 0.000 1.457 841 I CB 0.162 38.083 38.000 -0.132 0.000 1.092 841 I HN 0.086 nan 8.210 nan 0.000 0.434 842 L N -0.190 120.949 121.223 -0.140 0.000 2.529 842 L HA 0.067 4.399 4.340 -0.015 0.000 0.223 842 L C 1.097 177.903 176.870 -0.107 0.000 1.113 842 L CA -0.055 54.698 54.840 -0.145 0.000 0.861 842 L CB -0.601 41.366 42.059 -0.153 0.000 1.012 842 L HN 0.255 nan 8.230 nan 0.000 0.461 843 T N -1.332 113.173 114.554 -0.081 0.000 2.913 843 T HA 0.263 4.605 4.350 -0.015 0.000 0.297 843 T C -2.435 172.262 174.700 -0.005 0.000 1.029 843 T CA -1.814 60.260 62.100 -0.043 0.000 1.104 843 T CB 0.844 69.687 68.868 -0.041 0.000 0.964 843 T HN -0.116 nan 8.240 nan 0.000 0.532 844 P HA 0.179 nan 4.420 nan 0.000 0.271 844 P C -0.124 177.238 177.300 0.105 0.000 1.220 844 P CA -0.182 62.998 63.100 0.134 0.000 0.768 844 P CB 0.715 32.633 31.700 0.365 0.000 0.848 845 D N 2.335 122.743 120.400 0.013 0.000 2.349 845 D HA -0.012 4.619 4.640 -0.015 0.000 0.214 845 D C 0.727 176.948 176.300 -0.132 0.000 1.063 845 D CA -0.077 53.888 54.000 -0.058 0.000 0.847 845 D CB -0.195 40.535 40.800 -0.116 0.000 0.933 845 D HN 0.311 nan 8.370 nan 0.000 0.513 846 R N 0.592 121.028 120.500 -0.105 0.000 2.489 846 R HA 0.065 4.396 4.340 -0.015 0.000 0.287 846 R C -0.426 175.840 176.300 -0.058 0.000 1.053 846 R CA -0.400 55.538 56.100 -0.269 0.000 1.036 846 R CB 0.178 30.091 30.300 -0.645 0.000 0.966 846 R HN 0.029 nan 8.270 nan 0.000 0.432 847 Y N 3.745 123.983 120.300 -0.103 0.000 2.550 847 Y HA -0.131 4.411 4.550 -0.014 0.000 0.343 847 Y C 1.988 177.938 175.900 0.084 0.000 1.245 847 Y CA -0.500 57.581 58.100 -0.031 0.000 1.462 847 Y CB 0.563 38.969 38.460 -0.090 0.000 1.340 847 Y HN 0.594 nan 8.280 nan 0.000 0.604 848 I N 0.882 121.646 120.570 0.324 0.000 2.185 848 I HA -0.305 3.856 4.170 -0.015 0.000 0.246 848 I C 0.993 177.341 176.117 0.385 0.000 1.088 848 I CA 1.758 63.287 61.300 0.382 0.000 1.347 848 I CB -0.384 37.703 38.000 0.144 0.000 1.041 848 I HN 0.568 nan 8.210 nan 0.000 0.415 849 S N -1.580 114.206 115.700 0.145 0.000 2.671 849 S HA 0.273 4.734 4.470 -0.015 0.000 0.277 849 S C 0.429 175.023 174.600 -0.010 0.000 1.165 849 S CA -0.897 57.373 58.200 0.117 0.000 0.822 849 S CB 2.000 65.318 63.200 0.195 0.000 1.150 849 S HN 0.064 nan 8.310 nan 0.000 0.479 850 K N -0.471 119.891 120.400 -0.064 0.000 2.074 850 K HA -0.132 4.179 4.320 -0.015 0.000 0.209 850 K C 0.684 177.044 176.600 -0.399 0.000 1.048 850 K CA 2.051 58.165 56.287 -0.288 0.000 0.926 850 K CB -0.347 31.870 32.500 -0.471 0.000 0.713 850 K HN 0.719 nan 8.250 nan 0.000 0.444 851 Y N -1.267 119.102 120.300 0.114 0.000 2.445 851 Y HA 0.360 4.902 4.550 -0.014 0.000 0.247 851 Y C 0.254 176.083 175.900 -0.117 0.000 1.129 851 Y CA -0.266 57.897 58.100 0.104 0.000 1.251 851 Y CB 0.728 39.403 38.460 0.358 0.000 1.176 851 Y HN -0.024 nan 8.280 nan 0.000 0.522 852 A N -0.067 122.669 122.820 -0.141 0.000 2.798 852 A HA 0.325 4.636 4.320 -0.015 0.000 0.316 852 A C -0.057 176.798 177.584 -1.214 0.000 1.506 852 A CA -0.399 51.283 52.037 -0.591 0.000 1.162 852 A CB -1.143 17.752 19.000 -0.175 0.000 1.138 852 A HN 0.464 nan 8.150 nan 0.000 0.532 853 C N 2.953 121.145 119.300 -1.847 0.000 3.506 853 C HA 0.451 4.902 4.460 -0.015 0.000 0.578 853 C C 1.444 175.761 174.990 -1.121 0.000 1.153 853 C CA -0.084 57.821 59.018 -1.856 0.000 1.248 853 C CB -2.005 24.951 27.740 -1.308 0.000 1.532 853 C HN 0.852 nan 8.230 nan 0.000 0.646 854 G N 0.846 109.178 108.800 -0.781 0.000 2.644 854 G HA2 0.693 4.644 3.960 -0.015 0.000 0.307 854 G HA3 0.693 4.644 3.960 -0.015 0.000 0.307 854 G C -0.459 174.541 174.900 0.166 0.000 1.250 854 G CA -0.833 44.238 45.100 -0.048 0.000 0.996 854 G HN 0.516 nan 8.290 nan 0.000 0.489 855 M N 0.152 119.878 119.600 0.209 0.000 2.235 855 M HA 0.667 5.138 4.480 -0.015 0.000 0.351 855 M C 0.127 176.520 176.300 0.155 0.000 1.178 855 M CA -0.532 54.874 55.300 0.178 0.000 1.143 855 M CB 1.904 34.573 32.600 0.115 0.000 1.530 855 M HN 0.434 nan 8.290 nan 0.000 0.461 856 A N 2.973 125.890 122.820 0.161 0.000 2.793 856 A HA 0.284 4.596 4.320 -0.015 0.000 0.301 856 A C 0.464 178.057 177.584 0.016 0.000 1.172 856 A CA -0.659 51.426 52.037 0.080 0.000 0.973 856 A CB -0.764 18.292 19.000 0.094 0.000 1.164 856 A HN 1.014 nan 8.150 nan 0.000 0.542 857 N N 1.423 120.144 118.700 0.034 0.000 2.060 857 N HA -0.183 4.548 4.740 -0.015 0.000 0.195 857 N C 0.981 176.479 175.510 -0.020 0.000 1.028 857 N CA 1.673 54.727 53.050 0.005 0.000 0.861 857 N CB -0.240 38.248 38.487 0.002 0.000 1.029 857 N HN 0.463 nan 8.380 nan 0.000 0.428 858 N N 0.096 118.788 118.700 -0.013 0.000 2.627 858 N HA -0.034 4.697 4.740 -0.015 0.000 0.196 858 N C -0.378 175.108 175.510 -0.040 0.000 1.268 858 N CA 0.622 53.661 53.050 -0.018 0.000 0.904 858 N CB -0.232 38.258 38.487 0.004 0.000 1.016 858 N HN 0.397 nan 8.380 nan 0.000 0.448 859 T N -1.913 112.592 114.554 -0.082 0.000 2.934 859 T HA 0.751 5.093 4.350 -0.015 0.000 0.328 859 T C -0.555 174.080 174.700 -0.108 0.000 1.068 859 T CA -0.934 61.090 62.100 -0.126 0.000 1.018 859 T CB 1.655 70.385 68.868 -0.230 0.000 1.009 859 T HN 0.071 nan 8.240 nan 0.000 0.471 860 A N 4.170 126.947 122.820 -0.072 0.000 2.427 860 A HA 0.753 5.064 4.320 -0.015 0.000 0.298 860 A C -0.757 176.799 177.584 -0.048 0.000 1.036 860 A CA -0.926 51.081 52.037 -0.051 0.000 0.701 860 A CB 1.245 20.208 19.000 -0.061 0.000 1.250 860 A HN 0.872 nan 8.150 nan 0.000 0.412 861 L N 2.960 124.168 121.223 -0.024 0.000 2.289 861 L HA 0.723 5.054 4.340 -0.015 0.000 0.285 861 L C 0.111 176.936 176.870 -0.075 0.000 1.049 861 L CA -0.669 54.171 54.840 -0.001 0.000 0.804 861 L CB 1.431 43.544 42.059 0.090 0.000 1.195 861 L HN 0.723 nan 8.230 nan 0.000 0.428 862 V N -0.028 119.836 119.914 -0.083 0.000 3.165 862 V HA 0.774 4.885 4.120 -0.015 0.000 0.309 862 V C -1.324 174.679 176.094 -0.151 0.000 1.267 862 V CA -0.728 61.438 62.300 -0.223 0.000 1.067 862 V CB 2.260 33.945 31.823 -0.230 0.000 1.082 862 V HN 0.686 nan 8.190 nan 0.000 0.451 863 E N 0.598 120.579 120.200 -0.364 0.000 2.317 863 E HA 0.791 5.132 4.350 -0.015 0.000 0.270 863 E C -1.076 175.304 176.600 -0.366 0.000 0.885 863 E CA -0.535 55.666 56.400 -0.331 0.000 0.760 863 E CB 1.903 31.356 29.700 -0.412 0.000 1.227 863 E HN 1.110 nan 8.360 nan 0.000 0.434 864 I N -0.333 120.175 120.570 -0.103 0.000 2.828 864 I HA 0.804 4.965 4.170 -0.015 0.000 0.302 864 I C -1.035 175.154 176.117 0.121 0.000 1.101 864 I CA -0.858 60.455 61.300 0.022 0.000 1.031 864 I CB 2.249 40.254 38.000 0.008 0.000 1.231 864 I HN 0.645 nan 8.210 nan 0.000 0.427 865 E N 2.809 123.112 120.200 0.172 0.000 2.407 865 E HA 0.418 4.759 4.350 -0.015 0.000 0.279 865 E C -1.703 174.991 176.600 0.157 0.000 1.012 865 E CA -1.268 55.233 56.400 0.167 0.000 0.800 865 E CB 1.578 31.411 29.700 0.221 0.000 1.276 865 E HN 0.542 nan 8.360 nan 0.000 0.452 866 K N 0.847 121.328 120.400 0.134 0.000 2.448 866 K HA 0.012 4.323 4.320 -0.015 0.000 0.278 866 K C -0.765 175.967 176.600 0.221 0.000 1.009 866 K CA -0.153 56.219 56.287 0.142 0.000 0.995 866 K CB 0.443 32.999 32.500 0.093 0.000 0.917 866 K HN 0.463 nan 8.250 nan 0.000 0.481 867 W N 5.567 126.881 121.300 0.023 0.000 2.356 867 W HA 0.015 4.668 4.660 -0.013 0.000 0.311 867 W C 0.685 177.237 176.519 0.055 0.000 1.328 867 W CA -0.736 56.637 57.345 0.045 0.000 1.251 867 W CB 0.324 29.793 29.460 0.015 0.000 1.280 867 W HN 0.694 nan 8.180 nan 0.000 0.524 868 D N 3.037 123.373 120.400 -0.107 0.000 2.347 868 D HA 0.051 4.682 4.640 -0.015 0.000 0.213 868 D C 1.539 177.455 176.300 -0.639 0.000 0.985 868 D CA 0.934 54.773 54.000 -0.268 0.000 0.879 868 D CB -0.073 40.682 40.800 -0.075 0.000 0.919 868 D HN 0.732 nan 8.370 nan 0.000 0.526 869 G N 0.559 108.496 108.800 -1.438 0.000 2.238 869 G HA2 -0.247 3.705 3.960 -0.015 0.000 0.217 869 G HA3 -0.247 3.705 3.960 -0.015 0.000 0.217 869 G C -0.019 174.614 174.900 -0.445 0.000 0.996 869 G CA 0.124 44.329 45.100 -1.492 0.000 0.632 869 G HN 0.562 nan 8.290 nan 0.000 0.503 870 D N 1.141 121.455 120.400 -0.144 0.000 2.400 870 D HA 0.308 4.939 4.640 -0.015 0.000 0.238 870 D C 1.796 178.254 176.300 0.264 0.000 1.157 870 D CA 0.521 54.459 54.000 -0.103 0.000 0.889 870 D CB 0.636 41.075 40.800 -0.603 0.000 1.199 870 D HN 0.531 nan 8.370 nan 0.000 0.436 871 K N 1.685 122.153 120.400 0.113 0.000 2.393 871 K HA -0.033 4.279 4.320 -0.015 0.000 0.193 871 K C 0.010 176.792 176.600 0.302 0.000 1.026 871 K CA -0.208 56.229 56.287 0.250 0.000 1.064 871 K CB -0.232 32.349 32.500 0.135 0.000 0.833 871 K HN 0.446 nan 8.250 nan 0.000 0.521 872 Y N 2.049 122.426 120.300 0.128 0.000 2.980 872 Y HA -0.225 4.320 4.550 -0.009 0.000 0.199 872 Y C -0.300 175.633 175.900 0.055 0.000 1.319 872 Y CA 0.660 58.808 58.100 0.080 0.000 0.877 872 Y CB -1.986 36.567 38.460 0.155 0.000 1.259 872 Y HN 0.417 nan 8.280 nan 0.000 0.437 873 E N 2.323 122.569 120.200 0.076 0.000 1.979 873 E HA 0.307 4.648 4.350 -0.015 0.000 0.285 873 E C 0.889 177.459 176.600 -0.050 0.000 1.188 873 E CA 0.093 56.531 56.400 0.063 0.000 1.214 873 E CB -0.318 29.411 29.700 0.048 0.000 1.210 873 E HN 0.660 nan 8.360 nan 0.000 0.477 874 I N -0.910 119.522 120.570 -0.231 0.000 4.102 874 I HA 0.275 4.436 4.170 -0.015 0.000 0.325 874 I C -0.726 175.077 176.117 -0.523 0.000 1.471 874 I CA -0.690 60.382 61.300 -0.380 0.000 1.133 874 I CB 0.083 37.826 38.000 -0.428 0.000 1.184 874 I HN 0.063 nan 8.210 nan 0.000 0.451 875 Y N 0.000 120.348 120.300 0.081 0.000 2.660 875 Y HA 0.000 4.544 4.550 -0.010 0.000 0.201 875 Y CA 0.000 58.141 58.100 0.068 0.000 1.940 875 Y CB 0.000 38.502 38.460 0.069 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758