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 1ti2_1_K DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 G N -0.552 108.261 108.800 0.021 0.000 3.086 2 G HA2 0.758 4.718 3.960 0.001 0.000 0.282 2 G HA3 0.758 4.718 3.960 0.001 0.000 0.282 2 G C -0.932 173.983 174.900 0.024 0.000 1.343 2 G CA -0.459 44.655 45.100 0.023 0.000 0.895 2 G HN -0.052 nan 8.290 nan 0.000 0.557 3 E N -1.093 119.123 120.200 0.026 0.000 2.790 3 E HA 0.492 4.842 4.350 0.001 0.000 0.256 3 E C -0.245 176.378 176.600 0.038 0.000 1.246 3 E CA -0.595 55.822 56.400 0.028 0.000 1.041 3 E CB 1.287 31.001 29.700 0.023 0.000 1.272 3 E HN 0.139 nan 8.360 nan 0.000 0.603 4 V N 1.069 121.011 119.914 0.046 0.000 2.427 4 V HA 0.263 4.383 4.120 0.001 0.000 0.286 4 V C -0.035 176.089 176.094 0.050 0.000 1.034 4 V CA -0.630 61.713 62.300 0.071 0.000 0.893 4 V CB 1.508 33.398 31.823 0.111 0.000 0.982 4 V HN 0.259 nan 8.190 nan 0.000 0.452 5 V N 5.273 125.204 119.914 0.028 0.000 2.495 5 V HA 0.488 4.609 4.120 0.001 0.000 0.298 5 V C 0.178 176.188 176.094 -0.139 0.000 1.031 5 V CA -0.870 61.407 62.300 -0.038 0.000 0.871 5 V CB 1.886 33.696 31.823 -0.021 0.000 0.988 5 V HN 0.838 nan 8.190 nan 0.000 0.432 6 R N 4.196 124.529 120.500 -0.279 0.000 2.234 6 R HA 0.633 4.974 4.340 0.001 0.000 0.324 6 R C -1.181 174.916 176.300 -0.338 0.000 1.054 6 R CA -0.204 55.560 56.100 -0.560 0.000 0.912 6 R CB 0.447 30.288 30.300 -0.765 0.000 1.030 6 R HN 0.669 nan 8.270 nan 0.000 0.455 7 L N 1.978 123.055 121.223 -0.243 0.000 2.260 7 L HA 0.590 4.930 4.340 0.001 0.000 0.265 7 L C 0.155 177.045 176.870 0.033 0.000 1.015 7 L CA -0.960 53.825 54.840 -0.091 0.000 0.826 7 L CB 2.388 44.417 42.059 -0.050 0.000 1.373 7 L HN 0.700 nan 8.230 nan 0.000 0.450 8 T N -2.214 112.362 114.554 0.036 0.000 2.930 8 T HA 0.639 4.989 4.350 0.001 0.000 0.290 8 T C -0.641 174.038 174.700 -0.035 0.000 1.052 8 T CA -0.689 61.451 62.100 0.067 0.000 1.017 8 T CB 2.438 71.351 68.868 0.075 0.000 1.137 8 T HN 0.580 nan 8.240 nan 0.000 0.511 9 N N -0.931 117.724 118.700 -0.075 0.000 3.413 9 N HA 0.462 5.202 4.740 0.001 0.000 0.273 9 N C -1.656 173.758 175.510 -0.159 0.000 1.458 9 N CA -0.367 52.555 53.050 -0.212 0.000 0.860 9 N CB 1.561 39.705 38.487 -0.572 0.000 1.556 9 N HN 0.828 nan 8.380 nan 0.000 0.475 10 S N -1.075 114.512 115.700 -0.187 0.000 2.790 10 S HA 0.875 5.345 4.470 0.001 0.000 0.292 10 S C -1.604 172.947 174.600 -0.082 0.000 1.197 10 S CA 0.323 58.479 58.200 -0.073 0.000 0.851 10 S CB 0.742 64.037 63.200 0.159 0.000 1.217 10 S HN 1.050 nan 8.310 nan 0.000 0.526 11 S N -0.550 115.016 115.700 -0.223 0.000 2.655 11 S HA 0.324 4.794 4.470 0.001 0.000 0.266 11 S C 0.398 174.654 174.600 -0.573 0.000 1.149 11 S CA 0.201 58.266 58.200 -0.226 0.000 0.818 11 S CB 0.256 63.338 63.200 -0.196 0.000 1.130 11 S HN 1.274 nan 8.310 nan 0.000 0.476 12 T N -2.122 112.297 114.554 -0.224 0.000 3.163 12 T HA 0.276 4.626 4.350 0.001 0.000 0.260 12 T C 1.221 176.006 174.700 0.141 0.000 1.156 12 T CA 0.947 62.975 62.100 -0.119 0.000 1.072 12 T CB -0.676 68.335 68.868 0.239 0.000 0.937 12 T HN 1.262 nan 8.240 nan 0.000 0.528 13 G N -0.229 108.622 108.800 0.084 0.000 3.519 13 G HA2 0.574 4.535 3.960 0.001 0.000 0.269 13 G HA3 0.574 4.535 3.960 0.001 0.000 0.269 13 G C 0.533 175.368 174.900 -0.107 0.000 1.028 13 G CA -0.125 45.022 45.100 0.080 0.000 0.809 13 G HN 0.981 nan 8.290 nan 0.000 0.521 14 G N -0.202 108.461 108.800 -0.228 0.000 2.587 14 G HA2 0.089 4.050 3.960 0.001 0.000 0.686 14 G HA3 0.089 4.050 3.960 0.001 0.000 0.686 14 G C -3.252 171.330 174.900 -0.530 0.000 1.236 14 G CA -0.959 43.851 45.100 -0.483 0.000 0.820 14 G HN 0.133 nan 8.290 nan 0.000 0.645 15 P HA 0.478 nan 4.420 nan 0.000 0.270 15 P C 0.219 177.307 177.300 -0.354 0.000 1.223 15 P CA 0.149 62.972 63.100 -0.461 0.000 0.785 15 P CB 1.150 32.542 31.700 -0.514 0.000 0.923 16 V N -2.026 117.742 119.914 -0.243 0.000 3.188 16 V HA 0.556 4.677 4.120 0.001 0.000 0.305 16 V C -1.288 174.751 176.094 -0.093 0.000 1.232 16 V CA -1.022 61.188 62.300 -0.150 0.000 1.043 16 V CB 1.892 33.744 31.823 0.050 0.000 1.068 16 V HN 0.295 nan 8.190 nan 0.000 0.439 17 F N 1.070 121.009 119.950 -0.018 0.000 2.415 17 F HA 0.740 5.267 4.527 0.001 0.000 0.348 17 F C -0.079 175.738 175.800 0.028 0.000 1.119 17 F CA -1.022 56.939 58.000 -0.065 0.000 1.069 17 F CB 2.203 41.161 39.000 -0.070 0.000 1.124 17 F HN 0.394 nan 8.300 nan 0.000 0.472 18 V N 4.640 124.655 119.914 0.168 0.000 2.384 18 V HA 0.219 4.340 4.120 0.001 0.000 0.287 18 V C -0.958 175.135 176.094 -0.001 0.000 1.020 18 V CA -0.960 61.450 62.300 0.183 0.000 0.850 18 V CB 1.050 33.011 31.823 0.230 0.000 0.987 18 V HN 0.445 nan 8.190 nan 0.000 0.436 19 Y N 3.713 124.066 120.300 0.088 0.000 2.404 19 Y HA 0.584 5.135 4.550 0.001 0.000 0.344 19 Y C 0.195 176.132 175.900 0.061 0.000 0.970 19 Y CA -0.661 57.468 58.100 0.048 0.000 1.180 19 Y CB 1.429 39.907 38.460 0.030 0.000 1.138 19 Y HN 0.395 nan 8.280 nan 0.000 0.510 20 V N 4.044 124.040 119.914 0.137 0.000 2.667 20 V HA 0.561 4.682 4.120 0.001 0.000 0.308 20 V C -0.463 175.689 176.094 0.095 0.000 1.048 20 V CA -1.395 60.976 62.300 0.119 0.000 0.928 20 V CB 2.056 33.933 31.823 0.090 0.000 1.004 20 V HN 0.624 nan 8.190 nan 0.000 0.444 21 K N 2.254 122.706 120.400 0.087 0.000 2.581 21 K HA 0.311 4.632 4.320 0.001 0.000 0.249 21 K C -1.027 175.605 176.600 0.054 0.000 0.966 21 K CA -0.487 55.839 56.287 0.065 0.000 0.811 21 K CB 1.292 33.828 32.500 0.060 0.000 1.223 21 K HN 0.803 nan 8.250 nan 0.000 0.438 22 D N 3.434 123.862 120.400 0.046 0.000 2.689 22 D HA -0.186 4.454 4.640 0.001 0.000 0.237 22 D C 0.556 176.883 176.300 0.046 0.000 1.148 22 D CA 1.722 55.746 54.000 0.040 0.000 0.656 22 D CB -1.063 39.754 40.800 0.028 0.000 1.050 22 D HN 1.136 nan 8.370 nan 0.000 0.426 23 G N 0.105 108.941 108.800 0.059 0.000 2.155 23 G HA2 -0.365 3.595 3.960 0.001 0.000 0.257 23 G HA3 -0.365 3.595 3.960 0.001 0.000 0.257 23 G C 0.240 175.196 174.900 0.094 0.000 0.983 23 G CA 0.995 46.138 45.100 0.072 0.000 0.676 23 G HN 0.632 nan 8.290 nan 0.000 0.528 24 K N -0.062 120.393 120.400 0.092 0.000 2.378 24 K HA 0.670 4.991 4.320 0.001 0.000 0.252 24 K C 0.108 176.802 176.600 0.156 0.000 0.931 24 K CA -1.226 55.129 56.287 0.114 0.000 0.794 24 K CB 1.042 33.558 32.500 0.028 0.000 1.181 24 K HN 0.095 nan 8.250 nan 0.000 0.425 25 I N 6.347 127.069 120.570 0.254 0.000 2.396 25 I HA 0.052 4.222 4.170 0.001 0.000 0.289 25 I C 1.086 177.326 176.117 0.206 0.000 1.056 25 I CA -0.042 61.400 61.300 0.238 0.000 1.365 25 I CB 0.780 38.929 38.000 0.248 0.000 1.407 25 I HN 0.686 nan 8.210 nan 0.000 0.509 26 I N 5.878 126.551 120.570 0.172 0.000 2.628 26 I HA 0.050 4.220 4.170 0.001 0.000 0.255 26 I C 0.827 177.013 176.117 0.115 0.000 1.119 26 I CA 0.476 61.851 61.300 0.125 0.000 1.448 26 I CB 0.054 38.113 38.000 0.098 0.000 1.133 26 I HN 0.644 nan 8.210 nan 0.000 0.438 27 R N 0.304 120.897 120.500 0.155 0.000 2.690 27 R HA 0.602 4.942 4.340 0.001 0.000 0.269 27 R C -1.693 174.740 176.300 0.222 0.000 1.037 27 R CA -0.782 55.395 56.100 0.127 0.000 0.877 27 R CB 1.344 31.645 30.300 0.001 0.000 1.255 27 R HN -0.131 nan 8.270 nan 0.000 0.467 28 M N 1.852 121.558 119.600 0.178 0.000 2.321 28 M HA 0.454 4.934 4.480 0.001 0.000 0.315 28 M C -0.861 175.541 176.300 0.171 0.000 1.052 28 M CA -0.710 54.717 55.300 0.211 0.000 0.936 28 M CB 2.691 35.380 32.600 0.149 0.000 1.639 28 M HN 0.967 nan 8.290 nan 0.000 0.433 29 T N 0.433 115.116 114.554 0.214 0.000 2.865 29 T HA 0.743 5.093 4.350 0.001 0.000 0.294 29 T C -3.046 171.692 174.700 0.064 0.000 1.119 29 T CA -2.035 60.149 62.100 0.141 0.000 1.007 29 T CB 2.000 70.978 68.868 0.184 0.000 1.225 29 T HN 0.228 nan 8.240 nan 0.000 0.515 30 P HA 0.311 nan 4.420 nan 0.000 0.272 30 P C -0.571 176.621 177.300 -0.180 0.000 1.240 30 P CA -0.431 62.601 63.100 -0.114 0.000 0.791 30 P CB 0.290 31.938 31.700 -0.087 0.000 0.978 31 M N 1.337 120.694 119.600 -0.404 0.000 2.188 31 M HA 0.228 4.709 4.480 0.001 0.000 0.357 31 M C 0.020 176.092 176.300 -0.380 0.000 1.204 31 M CA -0.087 54.815 55.300 -0.664 0.000 1.095 31 M CB 0.682 32.624 32.600 -1.096 0.000 1.604 31 M HN 0.176 nan 8.290 nan 0.000 0.464 32 D N 2.909 123.276 120.400 -0.054 0.000 2.177 32 D HA 0.374 5.014 4.640 0.001 0.000 0.247 32 D C -0.941 175.476 176.300 0.195 0.000 1.063 32 D CA 0.008 54.008 54.000 0.001 0.000 0.867 32 D CB 1.145 42.020 40.800 0.125 0.000 1.168 32 D HN 0.418 nan 8.370 nan 0.000 0.445 33 F N 0.919 120.872 119.950 0.006 0.000 2.396 33 F HA 0.070 4.597 4.527 0.001 0.000 0.343 33 F C 1.284 177.136 175.800 0.085 0.000 1.104 33 F CA -0.727 57.302 58.000 0.048 0.000 1.161 33 F CB 1.200 40.172 39.000 -0.048 0.000 1.146 33 F HN 0.076 nan 8.300 nan 0.000 0.522 34 D N 3.639 124.230 120.400 0.320 0.000 2.467 34 D HA 0.051 4.692 4.640 0.001 0.000 0.220 34 D C 0.395 176.759 176.300 0.108 0.000 1.103 34 D CA -0.268 53.843 54.000 0.185 0.000 0.886 34 D CB 0.599 41.503 40.800 0.174 0.000 1.025 34 D HN 0.457 nan 8.370 nan 0.000 0.514 35 D N 2.661 123.117 120.400 0.093 0.000 2.354 35 D HA -0.136 4.505 4.640 0.001 0.000 0.216 35 D C 1.561 177.877 176.300 0.026 0.000 0.970 35 D CA 0.506 54.536 54.000 0.050 0.000 0.905 35 D CB 0.206 41.037 40.800 0.052 0.000 0.903 35 D HN 0.522 nan 8.370 nan 0.000 0.508 36 A N 0.078 122.918 122.820 0.033 0.000 2.072 36 A HA 0.056 4.376 4.320 0.001 0.000 0.216 36 A C 1.971 179.562 177.584 0.011 0.000 1.156 36 A CA 0.991 53.042 52.037 0.023 0.000 0.701 36 A CB 0.238 19.255 19.000 0.028 0.000 0.816 36 A HN 0.231 nan 8.150 nan 0.000 0.458 37 V N -4.598 115.318 119.914 0.003 0.000 3.382 37 V HA 0.305 4.425 4.120 0.001 0.000 0.296 37 V C -0.903 175.146 176.094 -0.075 0.000 1.529 37 V CA -0.400 61.888 62.300 -0.019 0.000 1.048 37 V CB 0.181 31.994 31.823 -0.016 0.000 0.878 37 V HN 0.140 nan 8.190 nan 0.000 0.442 38 D N 2.662 123.004 120.400 -0.098 0.000 2.308 38 D HA 0.688 5.329 4.640 0.001 0.000 0.242 38 D C 0.481 176.649 176.300 -0.221 0.000 1.059 38 D CA 0.356 54.219 54.000 -0.228 0.000 0.830 38 D CB 2.159 42.794 40.800 -0.274 0.000 1.161 38 D HN 0.488 nan 8.370 nan 0.000 0.494 39 A N 3.825 126.473 122.820 -0.288 0.000 2.587 39 A HA 0.233 4.554 4.320 0.001 0.000 0.233 39 A C -2.049 175.446 177.584 -0.148 0.000 1.049 39 A CA -0.445 51.464 52.037 -0.212 0.000 0.754 39 A CB -0.440 18.386 19.000 -0.290 0.000 0.977 39 A HN 0.315 nan 8.150 nan 0.000 0.509 40 P HA 0.202 nan 4.420 nan 0.000 0.269 40 P C -0.040 177.264 177.300 0.008 0.000 1.215 40 P CA -0.099 62.991 63.100 -0.016 0.000 0.780 40 P CB 0.646 32.345 31.700 -0.001 0.000 0.898 41 S N 1.005 116.722 115.700 0.028 0.000 2.661 41 S HA 0.309 4.780 4.470 0.001 0.000 0.265 41 S C 0.093 174.649 174.600 -0.074 0.000 1.225 41 S CA -0.702 57.476 58.200 -0.038 0.000 0.986 41 S CB 0.151 63.286 63.200 -0.108 0.000 1.008 41 S HN 0.527 nan 8.310 nan 0.000 0.565 42 W N 0.183 121.500 121.300 0.028 0.000 2.089 42 W HA 0.664 5.324 4.660 0.001 0.000 0.362 42 W C -0.748 175.794 176.519 0.038 0.000 1.362 42 W CA -0.725 56.630 57.345 0.017 0.000 1.460 42 W CB 0.032 29.487 29.460 -0.008 0.000 1.204 42 W HN 0.391 nan 8.180 nan 0.000 0.657 43 K N 0.654 121.388 120.400 0.556 0.000 2.508 43 K HA 0.643 4.963 4.320 0.001 0.000 0.260 43 K C -1.267 175.587 176.600 0.424 0.000 0.949 43 K CA -0.947 55.584 56.287 0.406 0.000 0.834 43 K CB 2.854 35.447 32.500 0.155 0.000 1.365 43 K HN 0.377 nan 8.250 nan 0.000 0.437 44 I N 1.991 122.774 120.570 0.354 0.000 2.512 44 I HA 0.187 4.358 4.170 0.001 0.000 0.287 44 I C -1.032 175.206 176.117 0.202 0.000 1.069 44 I CA -0.770 60.672 61.300 0.238 0.000 1.056 44 I CB 2.188 40.319 38.000 0.217 0.000 1.229 44 I HN 0.479 nan 8.210 nan 0.000 0.429 45 E N 5.192 125.460 120.200 0.113 0.000 2.130 45 E HA 0.665 5.016 4.350 0.001 0.000 0.284 45 E C -0.678 175.982 176.600 0.100 0.000 1.018 45 E CA -0.172 56.272 56.400 0.073 0.000 0.817 45 E CB 1.534 31.252 29.700 0.030 0.000 1.078 45 E HN 0.608 nan 8.360 nan 0.000 0.396 46 A N 3.646 126.571 122.820 0.175 0.000 2.437 46 A HA 0.538 4.858 4.320 0.001 0.000 0.293 46 A C -0.422 177.265 177.584 0.172 0.000 1.038 46 A CA -0.798 51.336 52.037 0.162 0.000 0.708 46 A CB 0.820 19.912 19.000 0.153 0.000 1.251 46 A HN 0.708 nan 8.150 nan 0.000 0.409 47 R N 1.239 121.780 120.500 0.068 0.000 3.301 47 R HA -0.230 4.111 4.340 0.001 0.000 0.249 47 R C 1.096 177.424 176.300 0.048 0.000 0.964 47 R CA 1.320 57.455 56.100 0.057 0.000 0.653 47 R CB -1.694 28.649 30.300 0.072 0.000 1.043 47 R HN 2.503 nan 8.270 nan 0.000 0.454 48 G N -0.595 108.215 108.800 0.018 0.000 2.147 48 G HA2 -0.350 3.611 3.960 0.001 0.000 0.244 48 G HA3 -0.350 3.611 3.960 0.001 0.000 0.244 48 G C -0.038 174.821 174.900 -0.070 0.000 1.005 48 G CA 0.904 45.994 45.100 -0.016 0.000 0.713 48 G HN 0.449 nan 8.290 nan 0.000 0.515 49 K N -1.082 119.248 120.400 -0.117 0.000 2.466 49 K HA 0.707 5.028 4.320 0.001 0.000 0.260 49 K C -0.965 175.363 176.600 -0.454 0.000 1.011 49 K CA -0.771 55.310 56.287 -0.344 0.000 0.871 49 K CB 1.771 33.936 32.500 -0.558 0.000 1.404 49 K HN 0.026 nan 8.250 nan 0.000 0.450 50 T N 1.652 115.821 114.554 -0.641 0.000 2.815 50 T HA 0.469 4.819 4.350 0.001 0.000 0.289 50 T C -1.138 173.120 174.700 -0.736 0.000 1.000 50 T CA -0.565 61.250 62.100 -0.474 0.000 0.958 50 T CB 0.005 68.724 68.868 -0.248 0.000 0.944 50 T HN 0.218 nan 8.240 nan 0.000 0.442 51 F N 1.908 121.685 119.950 -0.289 0.000 2.415 51 F HA 0.623 5.151 4.527 0.001 0.000 0.348 51 F C 0.938 176.600 175.800 -0.231 0.000 1.119 51 F CA -0.697 56.966 58.000 -0.561 0.000 1.069 51 F CB 1.815 40.250 39.000 -0.941 0.000 1.124 51 F HN 0.340 nan 8.300 nan 0.000 0.472 52 T N 4.837 119.323 114.554 -0.113 0.000 2.916 52 T HA 0.493 4.843 4.350 0.001 0.000 0.298 52 T C -2.873 171.794 174.700 -0.054 0.000 1.031 52 T CA -1.946 60.026 62.100 -0.214 0.000 0.993 52 T CB 1.562 70.345 68.868 -0.141 0.000 1.045 52 T HN 0.338 nan 8.240 nan 0.000 0.454 53 P HA 0.419 nan 4.420 nan 0.000 0.277 53 P C -2.804 174.536 177.300 0.066 0.000 1.240 53 P CA -1.537 61.517 63.100 -0.077 0.000 0.798 53 P CB -0.345 31.129 31.700 -0.376 0.000 0.979 54 P HA 0.135 nan 4.420 nan 0.000 0.268 54 P C 0.420 177.741 177.300 0.035 0.000 1.205 54 P CA 0.075 63.212 63.100 0.062 0.000 0.771 54 P CB 0.245 31.955 31.700 0.016 0.000 0.858 55 R N 3.173 123.657 120.500 -0.028 0.000 4.980 55 R HA 0.103 4.443 4.340 0.001 0.000 0.190 55 R C 0.465 176.394 176.300 -0.618 0.000 2.095 55 R CA 0.468 56.513 56.100 -0.092 0.000 1.717 55 R CB -0.734 29.603 30.300 0.061 0.000 1.337 55 R HN 0.499 nan 8.270 nan 0.000 0.820 56 K N -0.277 119.599 120.400 -0.874 0.000 2.642 56 K HA 0.124 4.444 4.320 0.001 0.000 0.290 56 K C -0.940 175.280 176.600 -0.633 0.000 1.006 56 K CA -0.511 55.200 56.287 -0.960 0.000 0.869 56 K CB 1.573 33.819 32.500 -0.424 0.000 1.499 56 K HN 0.099 nan 8.250 nan 0.000 0.403 57 T N -1.025 113.243 114.554 -0.476 0.000 2.944 57 T HA 0.624 4.975 4.350 0.001 0.000 0.284 57 T C -0.133 174.539 174.700 -0.048 0.000 1.010 57 T CA -0.536 61.504 62.100 -0.099 0.000 1.025 57 T CB 1.328 70.135 68.868 -0.101 0.000 1.079 57 T HN 0.580 nan 8.240 nan 0.000 0.516 58 S N 0.647 116.412 115.700 0.108 0.000 2.542 58 S HA 0.764 5.235 4.470 0.001 0.000 0.293 58 S C -0.318 174.334 174.600 0.087 0.000 1.089 58 S CA -1.078 57.182 58.200 0.099 0.000 0.961 58 S CB 0.826 64.132 63.200 0.178 0.000 1.062 58 S HN 1.112 nan 8.310 nan 0.000 0.483 59 I N -0.594 120.006 120.570 0.051 0.000 2.846 59 I HA 0.933 5.103 4.170 0.001 0.000 0.307 59 I C 0.061 176.162 176.117 -0.027 0.000 1.053 59 I CA -1.548 59.734 61.300 -0.031 0.000 1.050 59 I CB 1.555 39.516 38.000 -0.065 0.000 1.239 59 I HN 0.822 nan 8.210 nan 0.000 0.439 60 A N 3.850 126.517 122.820 -0.255 0.000 2.257 60 A HA 0.648 4.968 4.320 0.001 0.000 0.289 60 A C -1.901 175.466 177.584 -0.362 0.000 1.095 60 A CA -1.493 50.253 52.037 -0.485 0.000 0.836 60 A CB -0.248 18.092 19.000 -1.101 0.000 1.111 60 A HN 0.713 nan 8.150 nan 0.000 0.497 61 P HA -0.161 nan 4.420 nan 0.000 0.216 61 P C 0.829 178.093 177.300 -0.060 0.000 1.153 61 P CA 1.851 64.906 63.100 -0.074 0.000 0.848 61 P CB -0.224 31.539 31.700 0.104 0.000 0.787 62 Y N -2.106 118.236 120.300 0.069 0.000 2.574 62 Y HA 0.023 4.573 4.550 0.001 0.000 0.294 62 Y C 1.727 177.728 175.900 0.169 0.000 1.142 62 Y CA 0.900 59.045 58.100 0.074 0.000 1.314 62 Y CB -2.203 36.280 38.460 0.038 0.000 0.991 62 Y HN -0.157 nan 8.280 nan 0.000 0.555 63 T N 0.063 114.702 114.554 0.142 0.000 2.983 63 T HA 0.169 4.519 4.350 0.001 0.000 0.250 63 T C 2.218 177.005 174.700 0.144 0.000 1.037 63 T CA 0.813 63.023 62.100 0.183 0.000 1.142 63 T CB -0.401 68.475 68.868 0.012 0.000 0.876 63 T HN 0.477 nan 8.240 nan 0.000 0.455 64 A N 1.119 123.979 122.820 0.067 0.000 2.076 64 A HA 0.137 4.458 4.320 0.001 0.000 0.220 64 A C 2.012 179.674 177.584 0.131 0.000 1.160 64 A CA 1.612 53.694 52.037 0.074 0.000 0.653 64 A CB -0.667 18.357 19.000 0.040 0.000 0.801 64 A HN 0.506 nan 8.150 nan 0.000 0.455 65 G N -3.049 105.853 108.800 0.170 0.000 3.863 65 G HA2 0.313 4.274 3.960 0.001 0.000 0.290 65 G HA3 0.313 4.274 3.960 0.001 0.000 0.290 65 G C 0.600 175.568 174.900 0.115 0.000 1.018 65 G CA 0.053 45.287 45.100 0.224 0.000 0.824 65 G HN 0.280 nan 8.290 nan 0.000 0.507 66 F N 1.322 121.260 119.950 -0.021 0.000 2.269 66 F HA 0.019 4.546 4.527 0.001 0.000 0.301 66 F C 2.445 178.124 175.800 -0.202 0.000 1.082 66 F CA 1.516 59.457 58.000 -0.098 0.000 1.360 66 F CB 0.322 39.259 39.000 -0.106 0.000 1.041 66 F HN 0.203 nan 8.300 nan 0.000 0.512 67 K N 0.103 120.459 120.400 -0.074 0.000 2.103 67 K HA -0.209 4.112 4.320 0.001 0.000 0.207 67 K C 2.157 178.613 176.600 -0.240 0.000 1.048 67 K CA 1.668 57.868 56.287 -0.144 0.000 0.930 67 K CB -0.324 32.216 32.500 0.067 0.000 0.716 67 K HN 0.377 nan 8.250 nan 0.000 0.444 68 S N -0.208 115.235 115.700 -0.428 0.000 2.507 68 S HA -0.079 4.391 4.470 0.001 0.000 0.235 68 S C 1.739 176.087 174.600 -0.420 0.000 0.988 68 S CA 0.759 58.564 58.200 -0.658 0.000 0.944 68 S CB -0.114 62.199 63.200 -1.479 0.000 0.762 68 S HN 0.305 nan 8.310 nan 0.000 0.526 69 M N 0.189 119.512 119.600 -0.461 0.000 2.545 69 M HA 0.312 4.792 4.480 0.001 0.000 0.264 69 M C 1.867 178.116 176.300 -0.086 0.000 1.155 69 M CA 0.627 55.696 55.300 -0.384 0.000 1.162 69 M CB -0.276 31.844 32.600 -0.800 0.000 1.330 69 M HN 0.277 nan 8.290 nan 0.000 0.479 70 I N -0.669 119.703 120.570 -0.330 0.000 2.252 70 I HA -0.251 3.919 4.170 0.001 0.000 0.245 70 I C 1.065 176.995 176.117 -0.311 0.000 1.102 70 I CA 1.355 62.445 61.300 -0.350 0.000 1.385 70 I CB -0.120 37.501 38.000 -0.632 0.000 1.064 70 I HN 0.227 nan 8.210 nan 0.000 0.414 71 Y N 0.482 120.751 120.300 -0.052 0.000 2.625 71 Y HA 0.256 4.807 4.550 0.001 0.000 0.285 71 Y C 1.295 177.180 175.900 -0.026 0.000 1.168 71 Y CA -0.787 57.291 58.100 -0.036 0.000 1.250 71 Y CB -0.577 37.857 38.460 -0.044 0.000 1.130 71 Y HN -0.082 nan 8.280 nan 0.000 0.526 72 S N 1.338 117.110 115.700 0.120 0.000 2.568 72 S HA -0.056 4.414 4.470 0.001 0.000 0.282 72 S C 1.370 176.046 174.600 0.127 0.000 1.338 72 S CA -0.034 58.235 58.200 0.115 0.000 1.045 72 S CB 0.514 63.847 63.200 0.220 0.000 0.873 72 S HN 0.637 nan 8.310 nan 0.000 0.516 73 D N 3.587 124.043 120.400 0.093 0.000 2.348 73 D HA -0.053 4.587 4.640 0.001 0.000 0.211 73 D C 1.398 177.780 176.300 0.136 0.000 0.998 73 D CA 0.366 54.404 54.000 0.064 0.000 0.873 73 D CB -0.090 40.721 40.800 0.018 0.000 0.925 73 D HN 0.525 nan 8.370 nan 0.000 0.524 74 L N 0.196 121.563 121.223 0.240 0.000 2.612 74 L HA 0.142 4.483 4.340 0.001 0.000 0.230 74 L C 0.878 178.010 176.870 0.436 0.000 1.140 74 L CA -0.451 54.635 54.840 0.411 0.000 0.896 74 L CB -0.061 42.185 42.059 0.312 0.000 1.065 74 L HN -0.177 nan 8.230 nan 0.000 0.447 75 R N 1.474 122.156 120.500 0.303 0.000 2.449 75 R HA 0.130 4.470 4.340 0.001 0.000 0.296 75 R C -0.148 176.170 176.300 0.029 0.000 1.047 75 R CA 0.020 56.173 56.100 0.088 0.000 1.018 75 R CB 0.064 30.363 30.300 -0.000 0.000 0.962 75 R HN 0.063 nan 8.270 nan 0.000 0.428 76 I N 9.046 129.575 120.570 -0.068 0.000 2.671 76 I HA -0.011 4.159 4.170 0.001 0.000 0.285 76 I C -1.065 174.929 176.117 -0.206 0.000 1.148 76 I CA -0.923 60.308 61.300 -0.115 0.000 1.386 76 I CB 0.880 38.786 38.000 -0.157 0.000 1.406 76 I HN 0.659 nan 8.210 nan 0.000 0.540 77 P HA -0.093 nan 4.420 nan 0.000 0.222 77 P C -0.653 176.401 177.300 -0.409 0.000 1.153 77 P CA 1.442 64.249 63.100 -0.487 0.000 0.798 77 P CB 0.267 31.487 31.700 -0.799 0.000 0.796 78 Y N -6.034 114.211 120.300 -0.091 0.000 2.810 78 Y HA 0.563 5.113 4.550 0.001 0.000 0.355 78 Y C -3.280 172.438 175.900 -0.303 0.000 1.211 78 Y CA -3.784 54.212 58.100 -0.173 0.000 1.112 78 Y CB -0.887 37.494 38.460 -0.131 0.000 1.383 78 Y HN -0.381 nan 8.280 nan 0.000 0.458 79 P HA 0.219 nan 4.420 nan 0.000 0.264 79 P C -0.780 176.481 177.300 -0.065 0.000 1.183 79 P CA 0.710 63.570 63.100 -0.401 0.000 0.763 79 P CB 0.340 31.614 31.700 -0.711 0.000 0.807 80 M N 2.472 122.040 119.600 -0.054 0.000 2.644 80 M HA 0.504 4.984 4.480 0.001 0.000 0.304 80 M C -0.111 176.270 176.300 0.135 0.000 1.215 80 M CA -0.644 54.705 55.300 0.081 0.000 0.871 80 M CB 2.813 35.431 32.600 0.030 0.000 1.740 80 M HN 0.096 nan 8.290 nan 0.000 0.464 81 K N 1.035 121.581 120.400 0.243 0.000 2.464 81 K HA 0.487 4.808 4.320 0.001 0.000 0.253 81 K C -1.295 175.441 176.600 0.227 0.000 0.933 81 K CA -0.810 55.623 56.287 0.244 0.000 0.801 81 K CB 2.343 34.948 32.500 0.176 0.000 1.271 81 K HN 0.739 nan 8.250 nan 0.000 0.430 82 R N 3.517 124.080 120.500 0.106 0.000 2.351 82 R HA 0.057 4.398 4.340 0.001 0.000 0.318 82 R C 0.382 176.669 176.300 -0.021 0.000 1.055 82 R CA 0.300 56.264 56.100 -0.226 0.000 0.968 82 R CB 0.526 30.698 30.300 -0.215 0.000 0.974 82 R HN 0.673 nan 8.270 nan 0.000 0.439 83 K N 1.335 121.685 120.400 -0.082 0.000 2.160 83 K HA -0.154 4.167 4.320 0.001 0.000 0.206 83 K C 1.474 178.085 176.600 0.018 0.000 1.047 83 K CA 2.039 58.321 56.287 -0.008 0.000 0.930 83 K CB 0.077 32.562 32.500 -0.025 0.000 0.720 83 K HN 0.659 nan 8.250 nan 0.000 0.450 84 S N 0.196 115.903 115.700 0.012 0.000 2.603 84 S HA -0.007 4.464 4.470 0.001 0.000 0.220 84 S C 0.265 174.937 174.600 0.121 0.000 0.967 84 S CA -0.324 57.902 58.200 0.045 0.000 0.920 84 S CB -0.281 62.934 63.200 0.025 0.000 0.773 84 S HN 0.219 nan 8.310 nan 0.000 0.529 85 F N 3.331 123.281 119.950 -0.000 0.000 2.361 85 F HA 0.486 5.014 4.527 0.001 0.000 0.364 85 F C -0.535 175.289 175.800 0.041 0.000 1.120 85 F CA -1.415 56.611 58.000 0.043 0.000 1.102 85 F CB 0.775 39.825 39.000 0.084 0.000 1.183 85 F HN -0.028 nan 8.300 nan 0.000 0.476 86 D N 8.949 129.005 120.400 -0.573 0.000 2.441 86 D HA 0.303 4.944 4.640 0.001 0.000 0.231 86 D C -2.085 173.756 176.300 -0.766 0.000 1.073 86 D CA -2.335 51.345 54.000 -0.533 0.000 0.850 86 D CB 2.141 42.797 40.800 -0.241 0.000 1.062 86 D HN 0.243 nan 8.370 nan 0.000 0.524 87 P HA -0.120 nan 4.420 nan 0.000 0.216 87 P C -0.058 177.074 177.300 -0.281 0.000 1.154 87 P CA 1.325 64.084 63.100 -0.569 0.000 0.865 87 P CB 0.221 31.745 31.700 -0.293 0.000 0.789 88 N N -1.520 117.054 118.700 -0.211 0.000 2.320 88 N HA 0.317 5.057 4.740 0.001 0.000 0.237 88 N C 0.672 176.120 175.510 -0.103 0.000 1.129 88 N CA 0.013 52.992 53.050 -0.120 0.000 0.854 88 N CB 0.615 39.053 38.487 -0.082 0.000 1.083 88 N HN 0.144 nan 8.380 nan 0.000 0.504 89 G N -0.484 108.236 108.800 -0.135 0.000 2.894 89 G HA2 0.115 4.076 3.960 0.001 0.000 0.164 89 G HA3 0.115 4.076 3.960 0.001 0.000 0.164 89 G C -1.272 173.575 174.900 -0.088 0.000 1.180 89 G CA -0.520 44.525 45.100 -0.092 0.000 0.997 89 G HN -0.060 nan 8.290 nan 0.000 0.572 90 E N 1.215 121.374 120.200 -0.068 0.000 2.220 90 E HA 0.211 4.561 4.350 0.001 0.000 0.272 90 E C 0.987 177.556 176.600 -0.051 0.000 1.099 90 E CA -0.079 56.300 56.400 -0.035 0.000 0.907 90 E CB 1.444 31.136 29.700 -0.013 0.000 1.022 90 E HN 0.414 nan 8.360 nan 0.000 0.428 91 R N 2.128 122.625 120.500 -0.006 0.000 2.240 91 R HA 0.012 4.353 4.340 0.001 0.000 0.203 91 R C -0.059 176.374 176.300 0.222 0.000 1.011 91 R CA -0.131 56.020 56.100 0.086 0.000 1.007 91 R CB 0.058 30.489 30.300 0.219 0.000 0.911 91 R HN 0.451 nan 8.270 nan 0.000 0.468 92 N N 0.780 119.559 118.700 0.132 0.000 2.666 92 N HA -0.129 4.612 4.740 0.001 0.000 0.274 92 N C -2.236 173.369 175.510 0.159 0.000 1.043 92 N CA 0.417 53.540 53.050 0.122 0.000 0.782 92 N CB -0.513 38.029 38.487 0.092 0.000 0.912 92 N HN 0.212 nan 8.380 nan 0.000 0.556 93 P HA -0.171 nan 4.420 nan 0.000 0.220 93 P C 1.726 179.116 177.300 0.151 0.000 1.148 93 P CA 1.041 64.249 63.100 0.180 0.000 0.803 93 P CB 0.175 31.977 31.700 0.170 0.000 0.782 94 Q N -0.005 119.863 119.800 0.113 0.000 2.500 94 Q HA -0.087 4.253 4.340 0.001 0.000 0.213 94 Q C 1.328 177.389 176.000 0.102 0.000 0.974 94 Q CA 1.308 57.172 55.803 0.100 0.000 0.918 94 Q CB -1.083 27.696 28.738 0.069 0.000 0.980 94 Q HN 0.334 nan 8.270 nan 0.000 0.505 95 L N 0.705 121.987 121.223 0.098 0.000 2.640 95 L HA 0.265 4.605 4.340 0.001 0.000 0.230 95 L C 0.547 177.453 176.870 0.059 0.000 1.123 95 L CA -0.315 54.566 54.840 0.069 0.000 0.900 95 L CB 0.216 42.304 42.059 0.048 0.000 1.146 95 L HN -0.028 nan 8.230 nan 0.000 0.484 96 R N 0.702 121.270 120.500 0.113 0.000 2.449 96 R HA 0.261 4.601 4.340 0.001 0.000 0.296 96 R C 1.109 177.472 176.300 0.106 0.000 1.047 96 R CA 0.708 56.878 56.100 0.116 0.000 1.018 96 R CB 0.362 30.798 30.300 0.227 0.000 0.962 96 R HN 0.279 nan 8.270 nan 0.000 0.428 97 G N 1.709 110.427 108.800 -0.135 0.000 2.159 97 G HA2 -0.380 3.581 3.960 0.001 0.000 0.256 97 G HA3 -0.380 3.581 3.960 0.001 0.000 0.256 97 G C 0.933 175.724 174.900 -0.182 0.000 0.977 97 G CA 0.325 45.171 45.100 -0.422 0.000 0.652 97 G HN 0.721 nan 8.290 nan 0.000 0.531 98 A N 0.266 123.037 122.820 -0.081 0.000 1.908 98 A HA 0.255 4.575 4.320 0.001 0.000 0.218 98 A C 2.832 180.387 177.584 -0.050 0.000 1.181 98 A CA 2.425 54.440 52.037 -0.037 0.000 0.627 98 A CB -1.050 17.938 19.000 -0.020 0.000 0.818 98 A HN 1.647 nan 8.150 nan 0.000 0.445 99 G N -0.540 108.221 108.800 -0.066 0.000 2.422 99 G HA2 -0.144 3.817 3.960 0.001 0.000 0.218 99 G HA3 -0.144 3.817 3.960 0.001 0.000 0.218 99 G C 1.417 176.287 174.900 -0.050 0.000 1.146 99 G CA 1.174 46.257 45.100 -0.028 0.000 0.769 99 G HN 0.378 nan 8.290 nan 0.000 0.547 100 L N 1.200 122.346 121.223 -0.129 0.000 2.083 100 L HA 0.044 4.385 4.340 0.001 0.000 0.209 100 L C 2.877 179.684 176.870 -0.104 0.000 1.083 100 L CA 1.676 56.416 54.840 -0.168 0.000 0.752 100 L CB -0.568 41.302 42.059 -0.315 0.000 0.899 100 L HN 0.162 nan 8.230 nan 0.000 0.433 101 S N -0.504 115.159 115.700 -0.062 0.000 2.474 101 S HA -0.102 4.369 4.470 0.001 0.000 0.235 101 S C 1.286 175.880 174.600 -0.009 0.000 0.997 101 S CA 0.964 59.156 58.200 -0.013 0.000 0.949 101 S CB -0.212 63.001 63.200 0.022 0.000 0.766 101 S HN 0.600 nan 8.310 nan 0.000 0.517 102 K N 0.217 120.609 120.400 -0.014 0.000 2.537 102 K HA 0.368 4.688 4.320 0.001 0.000 0.206 102 K C -0.412 176.187 176.600 -0.001 0.000 1.041 102 K CA -0.211 56.075 56.287 -0.001 0.000 1.090 102 K CB 0.289 32.794 32.500 0.008 0.000 0.833 102 K HN -0.157 nan 8.250 nan 0.000 0.493 103 Q N 0.999 120.786 119.800 -0.021 0.000 2.468 103 Q HA -0.195 4.145 4.340 0.001 0.000 0.256 103 Q C -0.885 175.128 176.000 0.021 0.000 0.984 103 Q CA 1.576 57.367 55.803 -0.020 0.000 1.110 103 Q CB -1.680 27.049 28.738 -0.016 0.000 1.527 103 Q HN 0.584 nan 8.270 nan 0.000 0.535 104 D N -1.764 118.658 120.400 0.036 0.000 2.513 104 D HA 0.261 4.901 4.640 0.001 0.000 0.295 104 D C -1.993 174.384 176.300 0.128 0.000 1.202 104 D CA -2.010 52.049 54.000 0.098 0.000 0.849 104 D CB 0.922 41.776 40.800 0.090 0.000 1.116 104 D HN -0.107 nan 8.370 nan 0.000 0.502 105 P HA -0.140 nan 4.420 nan 0.000 0.214 105 P C 1.199 178.709 177.300 0.351 0.000 1.169 105 P CA 1.349 64.528 63.100 0.131 0.000 0.908 105 P CB 0.043 31.738 31.700 -0.008 0.000 0.791 106 W N 0.328 121.818 121.300 0.317 0.000 2.342 106 W HA -0.177 4.484 4.660 0.001 0.000 0.297 106 W C 2.755 179.358 176.519 0.140 0.000 1.213 106 W CA 1.798 59.210 57.345 0.111 0.000 1.251 106 W CB -1.749 27.667 29.460 -0.073 0.000 1.136 106 W HN 0.007 nan 8.180 nan 0.000 0.526 107 S N -0.416 115.478 115.700 0.322 0.000 2.440 107 S HA -0.252 4.219 4.470 0.001 0.000 0.240 107 S C 1.441 176.109 174.600 0.114 0.000 1.014 107 S CA 1.782 60.089 58.200 0.179 0.000 0.980 107 S CB -0.504 62.766 63.200 0.117 0.000 0.775 107 S HN 0.200 nan 8.310 nan 0.000 0.499 108 D N 0.223 120.687 120.400 0.105 0.000 2.269 108 D HA 0.125 4.765 4.640 0.001 0.000 0.208 108 D C -0.278 175.794 176.300 -0.380 0.000 0.963 108 D CA 0.677 54.579 54.000 -0.163 0.000 0.864 108 D CB 0.013 40.625 40.800 -0.314 0.000 0.936 108 D HN 0.534 nan 8.370 nan 0.000 0.505 109 Y N 0.332 120.678 120.300 0.077 0.000 2.487 109 Y HA 0.349 4.900 4.550 0.001 0.000 0.337 109 Y C 0.574 176.520 175.900 0.075 0.000 1.076 109 Y CA -1.160 56.981 58.100 0.068 0.000 1.115 109 Y CB 1.198 39.684 38.460 0.044 0.000 1.235 109 Y HN -0.215 nan 8.280 nan 0.000 0.468 110 E N 0.958 121.281 120.200 0.206 0.000 2.312 110 E HA 0.556 4.906 4.350 0.001 0.000 0.267 110 E C -1.182 175.495 176.600 0.128 0.000 0.894 110 E CA -1.399 55.078 56.400 0.128 0.000 0.773 110 E CB 2.250 31.988 29.700 0.064 0.000 1.241 110 E HN 0.594 nan 8.360 nan 0.000 0.432 111 R N 2.117 122.642 120.500 0.042 0.000 2.490 111 R HA 0.505 4.846 4.340 0.001 0.000 0.278 111 R C -0.327 175.910 176.300 -0.104 0.000 1.069 111 R CA -0.292 55.760 56.100 -0.080 0.000 1.080 111 R CB 0.485 30.509 30.300 -0.461 0.000 1.030 111 R HN 0.725 nan 8.270 nan 0.000 0.491 112 I N -0.710 119.791 120.570 -0.115 0.000 3.102 112 I HA 0.419 4.589 4.170 0.001 0.000 0.310 112 I C -0.499 175.533 176.117 -0.142 0.000 1.246 112 I CA -1.146 60.095 61.300 -0.098 0.000 0.979 112 I CB 2.257 40.234 38.000 -0.038 0.000 1.267 112 I HN 0.710 nan 8.210 nan 0.000 0.451 113 S N 1.388 117.031 115.700 -0.094 0.000 2.624 113 S HA 0.280 4.750 4.470 0.001 0.000 0.263 113 S C 0.247 174.808 174.600 -0.065 0.000 1.287 113 S CA -0.299 57.863 58.200 -0.064 0.000 0.990 113 S CB 0.640 63.847 63.200 0.011 0.000 0.950 113 S HN 0.869 nan 8.310 nan 0.000 0.561 114 W N 0.296 121.582 121.300 -0.024 0.000 2.388 114 W HA -0.003 4.658 4.660 0.001 0.000 0.294 114 W C 2.221 178.693 176.519 -0.079 0.000 1.212 114 W CA 1.260 58.574 57.345 -0.052 0.000 1.271 114 W CB -0.426 28.997 29.460 -0.061 0.000 1.126 114 W HN 0.876 nan 8.180 nan 0.000 0.535 115 D N 0.067 120.569 120.400 0.171 0.000 2.117 115 D HA -0.234 4.406 4.640 0.001 0.000 0.197 115 D C 1.924 178.249 176.300 0.042 0.000 0.987 115 D CA 1.662 55.707 54.000 0.076 0.000 0.829 115 D CB -0.116 40.718 40.800 0.057 0.000 0.961 115 D HN 0.157 nan 8.370 nan 0.000 0.460 116 E N -0.790 119.430 120.200 0.034 0.000 2.107 116 E HA -0.103 4.248 4.350 0.001 0.000 0.191 116 E C 2.002 178.623 176.600 0.035 0.000 0.982 116 E CA 0.690 57.106 56.400 0.026 0.000 0.809 116 E CB -0.082 29.627 29.700 0.015 0.000 0.756 116 E HN 0.305 nan 8.360 nan 0.000 0.459 117 A N 0.732 123.563 122.820 0.019 0.000 1.877 117 A HA -0.216 4.105 4.320 0.001 0.000 0.216 117 A C 2.434 180.065 177.584 0.078 0.000 1.186 117 A CA 2.496 54.552 52.037 0.032 0.000 0.620 117 A CB -1.244 17.715 19.000 -0.070 0.000 0.822 117 A HN 0.488 nan 8.150 nan 0.000 0.443 118 T N -2.451 112.111 114.554 0.013 0.000 2.821 118 T HA -0.130 4.220 4.350 0.001 0.000 0.267 118 T C 1.358 176.084 174.700 0.043 0.000 1.046 118 T CA 1.550 63.578 62.100 -0.119 0.000 1.139 118 T CB -0.449 68.142 68.868 -0.461 0.000 0.871 118 T HN 0.327 nan 8.240 nan 0.000 0.454 119 D N 1.211 121.634 120.400 0.039 0.000 2.144 119 D HA 0.091 4.731 4.640 0.001 0.000 0.200 119 D C 2.032 178.377 176.300 0.075 0.000 0.978 119 D CA 0.572 54.607 54.000 0.059 0.000 0.833 119 D CB -0.295 40.527 40.800 0.037 0.000 0.961 119 D HN 0.440 nan 8.370 nan 0.000 0.470 120 I N 0.112 120.728 120.570 0.077 0.000 2.252 120 I HA -0.205 3.965 4.170 0.001 0.000 0.245 120 I C 2.269 178.402 176.117 0.027 0.000 1.102 120 I CA 0.567 61.898 61.300 0.052 0.000 1.385 120 I CB -0.065 37.998 38.000 0.105 0.000 1.064 120 I HN -0.098 nan 8.210 nan 0.000 0.414 121 V N 0.268 120.284 119.914 0.170 0.000 2.358 121 V HA -0.204 3.917 4.120 0.001 0.000 0.246 121 V C 2.413 178.638 176.094 0.218 0.000 1.047 121 V CA 1.330 63.778 62.300 0.246 0.000 1.035 121 V CB -0.310 31.704 31.823 0.319 0.000 0.658 121 V HN 0.221 nan 8.190 nan 0.000 0.452 122 V N 0.380 120.463 119.914 0.282 0.000 2.343 122 V HA -0.236 3.884 4.120 0.001 0.000 0.247 122 V C 2.723 178.897 176.094 0.133 0.000 1.051 122 V CA 1.962 64.412 62.300 0.250 0.000 1.036 122 V CB -1.050 30.921 31.823 0.247 0.000 0.654 122 V HN 0.554 nan 8.190 nan 0.000 0.451 123 A N -0.707 122.160 122.820 0.080 0.000 1.940 123 A HA -0.209 4.112 4.320 0.001 0.000 0.219 123 A C 2.222 179.815 177.584 0.015 0.000 1.176 123 A CA 1.674 53.732 52.037 0.035 0.000 0.631 123 A CB -0.360 18.644 19.000 0.007 0.000 0.814 123 A HN 0.520 nan 8.150 nan 0.000 0.446 124 E N -0.143 120.041 120.200 -0.025 0.000 2.072 124 E HA -0.088 4.262 4.350 0.001 0.000 0.190 124 E C 2.030 178.695 176.600 0.109 0.000 0.982 124 E CA 0.818 57.198 56.400 -0.033 0.000 0.803 124 E CB -0.350 29.179 29.700 -0.285 0.000 0.755 124 E HN 0.717 nan 8.360 nan 0.000 0.453 125 I N 1.930 122.590 120.570 0.150 0.000 2.127 125 I HA -0.319 3.851 4.170 0.001 0.000 0.241 125 I C 1.926 178.115 176.117 0.120 0.000 1.075 125 I CA 1.146 62.558 61.300 0.187 0.000 1.334 125 I CB -0.336 37.791 38.000 0.213 0.000 1.040 125 I HN 0.053 nan 8.210 nan 0.000 0.405 126 N N 0.562 119.301 118.700 0.065 0.000 2.188 126 N HA -0.183 4.557 4.740 0.001 0.000 0.184 126 N C 1.828 177.325 175.510 -0.021 0.000 1.018 126 N CA 0.981 54.012 53.050 -0.032 0.000 0.858 126 N CB -0.524 37.933 38.487 -0.051 0.000 0.989 126 N HN 0.342 nan 8.380 nan 0.000 0.426 127 R N 1.005 121.529 120.500 0.041 0.000 2.091 127 R HA -0.005 4.335 4.340 0.001 0.000 0.238 127 R C 2.040 178.385 176.300 0.075 0.000 1.136 127 R CA 1.053 57.188 56.100 0.060 0.000 0.959 127 R CB -0.241 30.096 30.300 0.061 0.000 0.856 127 R HN 0.167 nan 8.270 nan 0.000 0.437 128 I N 0.742 121.393 120.570 0.136 0.000 2.286 128 I HA -0.236 3.934 4.170 0.001 0.000 0.245 128 I C 2.231 178.461 176.117 0.188 0.000 1.104 128 I CA 1.339 62.777 61.300 0.230 0.000 1.397 128 I CB -0.204 37.991 38.000 0.324 0.000 1.072 128 I HN 0.197 nan 8.210 nan 0.000 0.417 129 K N -0.064 120.417 120.400 0.136 0.000 2.063 129 K HA -0.215 4.105 4.320 0.001 0.000 0.208 129 K C 1.992 178.678 176.600 0.144 0.000 1.048 129 K CA 1.591 57.950 56.287 0.119 0.000 0.928 129 K CB -0.348 32.172 32.500 0.034 0.000 0.713 129 K HN 0.494 nan 8.250 nan 0.000 0.442 130 H N -1.024 118.064 119.070 0.030 0.000 2.495 130 H HA 0.033 4.590 4.556 0.001 0.000 0.287 130 H C 1.781 177.058 175.328 -0.085 0.000 1.033 130 H CA 0.410 56.452 56.048 -0.011 0.000 1.307 130 H CB 0.346 30.103 29.762 -0.008 0.000 1.401 130 H HN 0.268 nan 8.280 nan 0.000 0.555 131 A N -0.312 122.464 122.820 -0.074 0.000 2.014 131 A HA 0.025 4.346 4.320 0.001 0.000 0.210 131 A C 0.941 178.213 177.584 -0.520 0.000 1.188 131 A CA 0.430 52.221 52.037 -0.409 0.000 0.731 131 A CB 0.183 18.745 19.000 -0.730 0.000 0.858 131 A HN 0.297 nan 8.150 nan 0.000 0.464 132 Y N -1.341 119.037 120.300 0.129 0.000 2.494 132 Y HA 0.460 5.011 4.550 0.001 0.000 0.271 132 Y C 1.220 177.202 175.900 0.137 0.000 1.113 132 Y CA -0.210 57.965 58.100 0.124 0.000 1.240 132 Y CB 0.260 38.799 38.460 0.132 0.000 1.268 132 Y HN 0.505 nan 8.280 nan 0.000 0.510 133 G N 0.452 109.411 108.800 0.265 0.000 2.555 133 G HA2 -0.116 3.844 3.960 0.001 0.000 0.686 133 G HA3 -0.116 3.844 3.960 0.001 0.000 0.686 133 G C -2.424 172.622 174.900 0.242 0.000 1.275 133 G CA -0.659 44.579 45.100 0.230 0.000 0.871 133 G HN -0.105 nan 8.290 nan 0.000 0.603 134 P HA -0.086 nan 4.420 nan 0.000 0.218 134 P C 2.223 179.654 177.300 0.219 0.000 1.148 134 P CA 2.439 65.661 63.100 0.204 0.000 0.822 134 P CB -0.043 31.759 31.700 0.170 0.000 0.784 135 S N -0.364 115.470 115.700 0.225 0.000 2.442 135 S HA -0.111 4.360 4.470 0.001 0.000 0.236 135 S C 1.964 176.682 174.600 0.197 0.000 1.007 135 S CA 1.057 59.362 58.200 0.176 0.000 0.965 135 S CB -1.344 61.998 63.200 0.237 0.000 0.773 135 S HN 0.137 nan 8.310 nan 0.000 0.504 136 A N 0.902 123.864 122.820 0.238 0.000 2.209 136 A HA 0.371 4.691 4.320 0.001 0.000 0.212 136 A C 0.950 178.671 177.584 0.229 0.000 1.158 136 A CA 0.213 52.381 52.037 0.219 0.000 0.742 136 A CB -0.546 18.616 19.000 0.270 0.000 0.790 136 A HN 0.643 nan 8.150 nan 0.000 0.472 137 I N 1.292 122.018 120.570 0.260 0.000 2.307 137 I HA 0.221 4.392 4.170 0.001 0.000 0.287 137 I C -0.460 175.852 176.117 0.325 0.000 1.054 137 I CA -0.608 60.882 61.300 0.317 0.000 1.218 137 I CB 1.019 39.234 38.000 0.359 0.000 1.398 137 I HN 0.159 nan 8.210 nan 0.000 0.475 138 L N 6.371 127.751 121.223 0.262 0.000 2.349 138 L HA 0.543 4.883 4.340 0.001 0.000 0.275 138 L C -0.021 177.125 176.870 0.461 0.000 1.115 138 L CA 0.792 55.739 54.840 0.179 0.000 0.820 138 L CB 1.429 43.364 42.059 -0.206 0.000 1.135 138 L HN 0.566 nan 8.230 nan 0.000 0.445 139 S N 2.657 118.681 115.700 0.542 0.000 2.550 139 S HA 0.800 5.271 4.470 0.001 0.000 0.270 139 S C -1.097 173.911 174.600 0.681 0.000 1.145 139 S CA -0.249 58.376 58.200 0.708 0.000 0.852 139 S CB 1.483 65.001 63.200 0.529 0.000 1.119 139 S HN 0.976 nan 8.310 nan 0.000 0.465 140 T N 3.708 118.635 114.554 0.621 0.000 3.486 140 T HA 0.513 4.863 4.350 0.001 0.000 0.375 140 T C -2.934 171.917 174.700 0.252 0.000 1.459 140 T CA -0.747 61.597 62.100 0.406 0.000 1.151 140 T CB 1.635 70.658 68.868 0.258 0.000 1.336 140 T HN 0.447 nan 8.240 nan 0.000 0.477 141 P HA 0.661 nan 4.420 nan 0.000 0.325 141 P C -0.339 177.015 177.300 0.091 0.000 1.382 141 P CA -0.188 62.882 63.100 -0.050 0.000 0.863 141 P CB 0.931 32.243 31.700 -0.647 0.000 2.140 142 S N -2.826 112.875 115.700 0.002 0.000 2.752 142 S HA 0.340 4.810 4.470 0.001 0.000 0.284 142 S C 1.309 175.722 174.600 -0.312 0.000 1.189 142 S CA -0.295 57.822 58.200 -0.138 0.000 0.835 142 S CB 0.549 63.727 63.200 -0.037 0.000 1.192 142 S HN 0.236 nan 8.310 nan 0.000 0.506 143 S N 0.947 116.407 115.700 -0.399 0.000 2.353 143 S HA -0.045 4.426 4.470 0.001 0.000 0.222 143 S C 0.534 174.957 174.600 -0.296 0.000 1.035 143 S CA 1.267 59.285 58.200 -0.304 0.000 1.025 143 S CB -0.416 62.657 63.200 -0.212 0.000 0.902 143 S HN 0.601 nan 8.310 nan 0.000 0.440 144 H N -0.423 118.695 119.070 0.079 0.000 2.559 144 H HA 0.529 5.085 4.556 0.001 0.000 0.343 144 H C -0.193 175.212 175.328 0.129 0.000 1.209 144 H CA -0.264 55.903 56.048 0.198 0.000 1.287 144 H CB 1.255 31.178 29.762 0.270 0.000 1.650 144 H HN 0.280 nan 8.280 nan 0.000 0.567 145 H N 0.830 119.941 119.070 0.069 0.000 3.014 145 H HA 0.103 4.659 4.556 0.001 0.000 0.337 145 H C -0.617 174.730 175.328 0.032 0.000 1.320 145 H CA -0.676 55.287 56.048 -0.142 0.000 1.128 145 H CB 1.571 30.885 29.762 -0.747 0.000 1.862 145 H HN 0.390 nan 8.280 nan 0.000 0.536 146 M N 1.714 121.287 119.600 -0.045 0.000 2.250 146 M HA -0.113 4.367 4.480 0.001 0.000 0.337 146 M C 0.801 177.399 176.300 0.497 0.000 1.161 146 M CA 0.503 55.948 55.300 0.242 0.000 1.088 146 M CB -0.334 32.339 32.600 0.122 0.000 1.639 146 M HN 0.436 nan 8.290 nan 0.000 0.447 147 W N 2.197 123.618 121.300 0.201 0.000 2.170 147 W HA 0.327 4.987 4.660 0.001 0.000 0.342 147 W C 0.315 176.959 176.519 0.208 0.000 1.294 147 W CA 0.662 58.130 57.345 0.204 0.000 1.246 147 W CB 0.931 30.430 29.460 0.064 0.000 1.156 147 W HN 0.768 nan 8.180 nan 0.000 0.572 148 G N 3.514 112.217 108.800 -0.161 0.000 2.693 148 G HA2 -0.217 3.744 3.960 0.001 0.000 0.290 148 G HA3 -0.217 3.744 3.960 0.001 0.000 0.290 148 G C -0.101 174.731 174.900 -0.113 0.000 1.378 148 G CA -0.631 44.416 45.100 -0.088 0.000 1.120 148 G HN 0.510 nan 8.290 nan 0.000 0.609 149 N N 0.418 118.967 118.700 -0.253 0.000 2.166 149 N HA -0.104 4.636 4.740 0.001 0.000 0.186 149 N C 2.483 177.887 175.510 -0.176 0.000 1.019 149 N CA 1.627 54.519 53.050 -0.263 0.000 0.856 149 N CB 0.027 38.282 38.487 -0.385 0.000 0.993 149 N HN 0.471 nan 8.380 nan 0.000 0.426 150 V N -0.253 119.533 119.914 -0.213 0.000 2.488 150 V HA 0.008 4.128 4.120 0.001 0.000 0.246 150 V C 2.113 178.212 176.094 0.008 0.000 1.046 150 V CA 1.800 64.027 62.300 -0.121 0.000 1.053 150 V CB -0.810 30.933 31.823 -0.133 0.000 0.679 150 V HN 0.373 nan 8.190 nan 0.000 0.458 151 G N -2.263 106.576 108.800 0.066 0.000 2.880 151 G HA2 -0.082 3.878 3.960 0.001 0.000 0.209 151 G HA3 -0.082 3.878 3.960 0.001 0.000 0.209 151 G C 0.433 175.374 174.900 0.069 0.000 1.157 151 G CA -0.214 44.981 45.100 0.159 0.000 0.779 151 G HN 0.439 nan 8.290 nan 0.000 0.539 152 Y N 1.939 122.123 120.300 -0.194 0.000 2.597 152 Y HA 0.044 4.594 4.550 0.001 0.000 0.336 152 Y C 2.370 178.023 175.900 -0.410 0.000 1.216 152 Y CA -0.031 57.755 58.100 -0.522 0.000 1.463 152 Y CB 0.777 39.061 38.460 -0.293 0.000 1.303 152 Y HN 0.263 nan 8.280 nan 0.000 0.576 153 R N 2.111 122.172 120.500 -0.732 0.000 2.154 153 R HA -0.254 4.086 4.340 0.001 0.000 0.248 153 R C 1.082 177.153 176.300 -0.382 0.000 1.155 153 R CA 2.266 58.028 56.100 -0.564 0.000 0.979 153 R CB -0.721 29.082 30.300 -0.828 0.000 0.869 153 R HN 0.770 nan 8.270 nan 0.000 0.452 154 H N -0.144 118.941 119.070 0.025 0.000 2.457 154 H HA 0.025 4.582 4.556 0.001 0.000 0.294 154 H C 1.820 177.335 175.328 0.312 0.000 1.064 154 H CA 1.400 57.601 56.048 0.255 0.000 1.330 154 H CB 0.298 30.289 29.762 0.380 0.000 1.395 154 H HN 0.375 nan 8.280 nan 0.000 0.541 155 S N -0.390 115.490 115.700 0.299 0.000 2.339 155 S HA -0.055 4.416 4.470 0.001 0.000 0.189 155 S C 2.200 176.904 174.600 0.174 0.000 0.966 155 S CA 0.887 59.221 58.200 0.224 0.000 0.925 155 S CB -0.254 63.039 63.200 0.156 0.000 0.890 155 S HN 0.265 nan 8.310 nan 0.000 0.539 156 T N 1.119 115.776 114.554 0.171 0.000 2.622 156 T HA -0.114 4.237 4.350 0.001 0.000 0.266 156 T C 1.577 176.402 174.700 0.210 0.000 1.047 156 T CA 1.970 64.240 62.100 0.284 0.000 1.159 156 T CB -0.805 68.325 68.868 0.436 0.000 0.863 156 T HN 0.526 nan 8.240 nan 0.000 0.422 157 Y N 0.803 121.079 120.300 -0.040 0.000 2.069 157 Y HA -0.234 4.316 4.550 0.001 0.000 0.278 157 Y C 2.025 177.723 175.900 -0.335 0.000 1.175 157 Y CA 1.501 59.401 58.100 -0.334 0.000 1.134 157 Y CB -0.650 37.432 38.460 -0.630 0.000 0.965 157 Y HN 0.281 nan 8.280 nan 0.000 0.498 158 F N -0.263 119.651 119.950 -0.060 0.000 2.146 158 F HA -0.180 4.347 4.527 0.001 0.000 0.298 158 F C 2.802 178.491 175.800 -0.184 0.000 1.096 158 F CA 1.052 58.955 58.000 -0.163 0.000 1.275 158 F CB -0.313 38.676 39.000 -0.018 0.000 1.008 158 F HN -0.043 nan 8.300 nan 0.000 0.480 159 R N 0.045 120.633 120.500 0.147 0.000 2.091 159 R HA -0.242 4.099 4.340 0.001 0.000 0.238 159 R C 2.186 178.571 176.300 0.141 0.000 1.136 159 R CA 1.879 58.062 56.100 0.138 0.000 0.959 159 R CB -0.527 29.869 30.300 0.159 0.000 0.856 159 R HN 0.320 nan 8.270 nan 0.000 0.437 160 F N 0.544 120.411 119.950 -0.138 0.000 2.094 160 F HA -0.110 4.418 4.527 0.001 0.000 0.291 160 F C 2.104 177.526 175.800 -0.629 0.000 1.109 160 F CA 1.167 58.863 58.000 -0.507 0.000 1.221 160 F CB -0.229 38.031 39.000 -1.233 0.000 1.014 160 F HN -0.089 nan 8.300 nan 0.000 0.473 161 M N 0.866 119.864 119.600 -1.002 0.000 2.143 161 M HA -0.287 4.194 4.480 0.001 0.000 0.258 161 M C 1.753 177.545 176.300 -0.846 0.000 1.071 161 M CA 1.650 56.185 55.300 -1.276 0.000 1.088 161 M CB -1.980 29.540 32.600 -1.800 0.000 1.360 161 M HN 0.380 nan 8.290 nan 0.000 0.404 162 N N -0.386 118.048 118.700 -0.443 0.000 2.289 162 N HA -0.084 4.656 4.740 0.001 0.000 0.184 162 N C 1.529 176.931 175.510 -0.180 0.000 1.016 162 N CA 0.928 53.888 53.050 -0.149 0.000 0.872 162 N CB -0.051 38.378 38.487 -0.097 0.000 0.973 162 N HN 0.389 nan 8.380 nan 0.000 0.433 163 M N -0.558 118.849 119.600 -0.321 0.000 2.509 163 M HA 0.109 4.590 4.480 0.001 0.000 0.250 163 M C 1.760 177.860 176.300 -0.334 0.000 1.132 163 M CA 0.405 55.547 55.300 -0.263 0.000 1.080 163 M CB 0.342 32.816 32.600 -0.211 0.000 1.408 163 M HN 0.237 nan 8.290 nan 0.000 0.484 164 M N -0.269 119.016 119.600 -0.525 0.000 2.751 164 M HA 0.233 4.713 4.480 0.001 0.000 0.252 164 M C 1.083 177.295 176.300 -0.147 0.000 1.264 164 M CA 1.255 56.302 55.300 -0.422 0.000 1.237 164 M CB -0.086 32.056 32.600 -0.764 0.000 1.242 164 M HN 0.165 nan 8.290 nan 0.000 0.525 165 G N -0.422 108.324 108.800 -0.090 0.000 3.247 165 G HA2 0.602 4.562 3.960 0.001 0.000 0.163 165 G HA3 0.602 4.562 3.960 0.001 0.000 0.163 165 G C -0.844 174.273 174.900 0.362 0.000 1.206 165 G CA -0.134 45.089 45.100 0.205 0.000 0.918 165 G HN 0.548 nan 8.290 nan 0.000 0.625 166 F N -3.401 116.536 119.950 -0.022 0.000 3.032 166 F HA 0.559 5.086 4.527 0.001 0.000 0.331 166 F C -1.235 174.594 175.800 0.049 0.000 1.125 166 F CA -1.198 56.820 58.000 0.031 0.000 0.873 166 F CB 1.187 40.194 39.000 0.013 0.000 1.374 166 F HN 0.428 nan 8.300 nan 0.000 0.452 167 T N 1.881 116.375 114.554 -0.099 0.000 2.743 167 T HA 0.305 4.655 4.350 0.001 0.000 0.292 167 T C -1.497 173.090 174.700 -0.188 0.000 0.972 167 T CA -0.189 61.782 62.100 -0.216 0.000 0.967 167 T CB 0.244 69.087 68.868 -0.042 0.000 0.926 167 T HN 0.532 nan 8.240 nan 0.000 0.459 168 Y N 2.893 122.889 120.300 -0.508 0.000 2.310 168 Y HA 0.535 5.085 4.550 0.001 0.000 0.326 168 Y C 0.022 175.879 175.900 -0.072 0.000 1.151 168 Y CA -1.821 56.153 58.100 -0.210 0.000 1.195 168 Y CB 0.781 39.096 38.460 -0.242 0.000 1.210 168 Y HN 0.648 nan 8.280 nan 0.000 0.483 169 A N 5.915 128.447 122.820 -0.481 0.000 2.774 169 A HA 0.210 4.530 4.320 0.001 0.000 0.326 169 A C -0.347 176.719 177.584 -0.862 0.000 1.478 169 A CA -0.648 51.102 52.037 -0.479 0.000 1.099 169 A CB -0.677 18.154 19.000 -0.283 0.000 1.148 169 A HN 0.761 nan 8.150 nan 0.000 0.519 170 D N 1.553 121.583 120.400 -0.616 0.000 2.443 170 D HA 0.023 4.663 4.640 0.001 0.000 0.239 170 D C -0.038 176.068 176.300 -0.324 0.000 1.136 170 D CA 0.567 54.251 54.000 -0.526 0.000 0.879 170 D CB 0.448 41.222 40.800 -0.042 0.000 1.195 170 D HN 0.544 nan 8.370 nan 0.000 0.443 171 H N 2.495 121.479 119.070 -0.143 0.000 2.646 171 H HA 0.090 4.646 4.556 0.001 0.000 0.325 171 H C 0.629 176.076 175.328 0.198 0.000 1.075 171 H CA -0.441 55.601 56.048 -0.011 0.000 1.421 171 H CB 0.364 30.132 29.762 0.010 0.000 1.461 171 H HN 0.417 nan 8.280 nan 0.000 0.525 172 N N 4.086 123.005 118.700 0.365 0.000 2.415 172 N HA 0.021 4.762 4.740 0.001 0.000 0.248 172 N C -2.492 173.336 175.510 0.529 0.000 1.271 172 N CA -1.451 51.843 53.050 0.407 0.000 0.913 172 N CB 0.691 39.373 38.487 0.326 0.000 1.129 172 N HN 0.310 nan 8.380 nan 0.000 0.444 173 P HA 0.071 nan 4.420 nan 0.000 0.230 173 P C -0.192 177.260 177.300 0.254 0.000 1.791 173 P CA -0.247 62.886 63.100 0.054 0.000 1.020 173 P CB -0.258 31.112 31.700 -0.550 0.000 1.977 174 D N 0.475 121.022 120.400 0.245 0.000 2.160 174 D HA -0.247 4.393 4.640 0.001 0.000 0.189 174 D C 1.519 177.795 176.300 -0.040 0.000 1.003 174 D CA 1.794 55.860 54.000 0.110 0.000 0.846 174 D CB -1.354 39.467 40.800 0.035 0.000 0.949 174 D HN 0.113 nan 8.370 nan 0.000 0.446 175 S N -1.008 114.484 115.700 -0.346 0.000 2.400 175 S HA -0.119 4.351 4.470 0.001 0.000 0.232 175 S C 1.475 175.641 174.600 -0.723 0.000 1.025 175 S CA 1.162 58.785 58.200 -0.963 0.000 0.993 175 S CB -0.405 61.582 63.200 -2.021 0.000 0.808 175 S HN 0.460 nan 8.310 nan 0.000 0.478 176 W N 1.182 122.488 121.300 0.010 0.000 3.013 176 W HA 0.214 4.875 4.660 0.001 0.000 0.280 176 W C 1.397 178.133 176.519 0.361 0.000 1.249 176 W CA -0.422 57.101 57.345 0.297 0.000 1.577 176 W CB -0.421 29.147 29.460 0.181 0.000 1.057 176 W HN 0.220 nan 8.180 nan 0.000 0.613 177 E N 0.741 121.226 120.200 0.476 0.000 2.675 177 E HA -0.319 4.032 4.350 0.001 0.000 0.244 177 E C 2.109 179.043 176.600 0.556 0.000 0.956 177 E CA 2.529 59.248 56.400 0.531 0.000 1.237 177 E CB -1.512 28.414 29.700 0.376 0.000 1.217 177 E HN 0.311 nan 8.360 nan 0.000 0.503 178 G N -0.032 108.987 108.800 0.364 0.000 2.513 178 G HA2 -0.260 3.700 3.960 0.001 0.000 0.219 178 G HA3 -0.260 3.700 3.960 0.001 0.000 0.219 178 G C 1.420 176.356 174.900 0.059 0.000 1.160 178 G CA 1.350 46.537 45.100 0.145 0.000 0.767 178 G HN 0.354 nan 8.290 nan 0.000 0.571 179 W N -0.528 120.896 121.300 0.208 0.000 2.436 179 W HA 0.121 4.781 4.660 0.001 0.000 0.284 179 W C 2.353 178.925 176.519 0.089 0.000 1.225 179 W CA 0.687 58.101 57.345 0.115 0.000 1.271 179 W CB -0.474 29.097 29.460 0.185 0.000 1.114 179 W HN 0.283 nan 8.180 nan 0.000 0.559 180 H N -1.162 118.061 119.070 0.254 0.000 2.284 180 H HA -0.145 4.411 4.556 0.001 0.000 0.304 180 H C 1.135 176.346 175.328 -0.195 0.000 1.069 180 H CA 2.049 58.047 56.048 -0.082 0.000 1.327 180 H CB -0.753 28.867 29.762 -0.237 0.000 1.387 180 H HN 0.203 nan 8.280 nan 0.000 0.498 181 W N 0.332 121.808 121.300 0.294 0.000 3.047 181 W HA 0.219 4.879 4.660 0.001 0.000 0.250 181 W C 2.166 178.819 176.519 0.223 0.000 1.314 181 W CA 0.504 58.000 57.345 0.252 0.000 1.540 181 W CB 0.214 29.856 29.460 0.304 0.000 1.127 181 W HN 0.291 nan 8.180 nan 0.000 0.679 182 G N -0.759 108.209 108.800 0.280 0.000 2.639 182 G HA2 0.122 4.083 3.960 0.001 0.000 0.201 182 G HA3 0.122 4.083 3.960 0.001 0.000 0.201 182 G C 1.604 176.503 174.900 -0.002 0.000 1.260 182 G CA 0.352 45.549 45.100 0.162 0.000 0.749 182 G HN 0.146 nan 8.290 nan 0.000 0.611 183 G N 0.968 109.684 108.800 -0.139 0.000 2.450 183 G HA2 -0.244 3.717 3.960 0.001 0.000 0.220 183 G HA3 -0.244 3.717 3.960 0.001 0.000 0.220 183 G C 1.765 176.631 174.900 -0.057 0.000 1.130 183 G CA 1.256 46.214 45.100 -0.238 0.000 0.760 183 G HN 0.351 nan 8.290 nan 0.000 0.557 184 M N -0.083 119.485 119.600 -0.053 0.000 2.149 184 M HA -0.123 4.358 4.480 0.001 0.000 0.261 184 M C 2.285 178.476 176.300 -0.181 0.000 1.064 184 M CA 1.364 56.581 55.300 -0.138 0.000 1.102 184 M CB -0.222 32.105 32.600 -0.456 0.000 1.369 184 M HN 0.308 nan 8.290 nan 0.000 0.408 185 H N -1.205 117.861 119.070 -0.006 0.000 2.495 185 H HA -0.076 4.481 4.556 0.001 0.000 0.287 185 H C 1.887 177.219 175.328 0.008 0.000 1.033 185 H CA 1.511 57.558 56.048 -0.002 0.000 1.307 185 H CB -0.317 29.444 29.762 -0.001 0.000 1.401 185 H HN 0.522 nan 8.280 nan 0.000 0.555 186 M N 0.047 119.675 119.600 0.047 0.000 2.248 186 M HA -0.067 4.414 4.480 0.001 0.000 0.265 186 M C 0.969 177.318 176.300 0.082 0.000 1.079 186 M CA 1.228 56.496 55.300 -0.053 0.000 1.150 186 M CB 0.389 32.796 32.600 -0.322 0.000 1.366 186 M HN 0.307 nan 8.290 nan 0.000 0.433 187 W N -0.476 120.779 121.300 -0.074 0.000 2.055 187 W HA 0.622 5.282 4.660 0.001 0.000 0.293 187 W C 0.250 176.730 176.519 -0.064 0.000 0.886 187 W CA -0.282 57.029 57.345 -0.057 0.000 1.384 187 W CB -1.179 28.270 29.460 -0.018 0.000 1.068 187 W HN 0.453 nan 8.180 nan 0.000 0.513 188 G N 2.067 111.013 108.800 0.242 0.000 2.552 188 G HA2 -0.329 3.631 3.960 0.001 0.000 0.267 188 G HA3 -0.329 3.631 3.960 0.001 0.000 0.267 188 G C 0.335 175.132 174.900 -0.172 0.000 1.174 188 G CA 0.722 45.796 45.100 -0.044 0.000 0.955 188 G HN 0.583 nan 8.290 nan 0.000 0.546 189 F N 0.694 120.198 119.950 -0.743 0.000 3.091 189 F HA -0.227 4.300 4.527 0.001 0.000 0.288 189 F C 2.246 177.362 175.800 -1.139 0.000 0.907 189 F CA 1.709 58.804 58.000 -1.509 0.000 1.028 189 F CB -1.810 36.529 39.000 -1.101 0.000 1.022 189 F HN 1.316 nan 8.300 nan 0.000 0.665 190 S N -0.284 115.087 115.700 -0.549 0.000 2.383 190 S HA -0.248 4.222 4.470 0.001 0.000 0.229 190 S C 1.565 176.041 174.600 -0.206 0.000 1.030 190 S CA 1.303 59.332 58.200 -0.286 0.000 1.002 190 S CB -0.849 62.270 63.200 -0.135 0.000 0.829 190 S HN 0.722 nan 8.310 nan 0.000 0.467 191 W N 1.266 122.544 121.300 -0.038 0.000 2.848 191 W HA 0.332 4.992 4.660 0.001 0.000 0.241 191 W C 1.628 178.118 176.519 -0.047 0.000 1.289 191 W CA -0.096 57.246 57.345 -0.006 0.000 1.396 191 W CB -0.242 29.244 29.460 0.044 0.000 1.138 191 W HN 0.110 nan 8.180 nan 0.000 0.677 192 R N 0.553 120.708 120.500 -0.576 0.000 2.565 192 R HA 0.252 4.593 4.340 0.001 0.000 0.347 192 R C 0.571 176.607 176.300 -0.440 0.000 1.010 192 R CA -0.252 55.586 56.100 -0.437 0.000 1.126 192 R CB -0.054 29.931 30.300 -0.525 0.000 1.331 192 R HN 0.179 nan 8.270 nan 0.000 0.552 193 L N 0.265 121.208 121.223 -0.466 0.000 3.717 193 L HA -0.329 4.011 4.340 0.001 0.000 0.414 193 L C 0.813 177.571 176.870 -0.186 0.000 1.228 193 L CA 0.826 55.379 54.840 -0.478 0.000 0.918 193 L CB -1.732 39.651 42.059 -1.126 0.000 1.865 193 L HN 0.666 nan 8.230 nan 0.000 0.922 194 G N -2.394 106.330 108.800 -0.126 0.000 2.284 194 G HA2 -0.244 3.716 3.960 0.001 0.000 0.216 194 G HA3 -0.244 3.716 3.960 0.001 0.000 0.216 194 G C 0.272 175.279 174.900 0.178 0.000 1.009 194 G CA 0.144 45.351 45.100 0.177 0.000 0.625 194 G HN 0.354 nan 8.290 nan 0.000 0.501 195 N N 2.768 121.370 118.700 -0.164 0.000 2.482 195 N HA 0.473 5.213 4.740 0.001 0.000 0.260 195 N C -2.242 172.745 175.510 -0.873 0.000 1.236 195 N CA -0.870 51.870 53.050 -0.517 0.000 0.938 195 N CB 1.184 39.344 38.487 -0.546 0.000 1.128 195 N HN 0.317 nan 8.380 nan 0.000 0.448 196 P HA 0.156 nan 4.420 nan 0.000 0.282 196 P C -0.505 176.301 177.300 -0.823 0.000 1.259 196 P CA -0.456 61.738 63.100 -1.510 0.000 0.826 196 P CB 1.074 32.233 31.700 -0.902 0.000 1.064 197 E N 1.468 121.353 120.200 -0.526 0.000 2.392 197 E HA 0.069 4.420 4.350 0.001 0.000 0.256 197 E C 0.145 176.621 176.600 -0.206 0.000 1.145 197 E CA -0.456 55.851 56.400 -0.155 0.000 0.929 197 E CB 0.233 30.140 29.700 0.345 0.000 0.998 197 E HN 0.324 nan 8.360 nan 0.000 0.442 198 Q N 0.450 120.056 119.800 -0.322 0.000 2.073 198 Q HA 0.074 4.414 4.340 0.001 0.000 0.215 198 Q C -0.893 175.007 176.000 -0.166 0.000 0.776 198 Q CA -0.279 55.406 55.803 -0.197 0.000 1.008 198 Q CB 0.310 28.939 28.738 -0.182 0.000 1.196 198 Q HN 0.547 nan 8.270 nan 0.000 0.458 199 Y N 2.347 122.583 120.300 -0.106 0.000 2.987 199 Y HA -0.182 4.368 4.550 0.001 0.000 0.339 199 Y C 0.977 176.882 175.900 0.007 0.000 1.272 199 Y CA 0.662 58.700 58.100 -0.105 0.000 1.562 199 Y CB 0.101 38.442 38.460 -0.200 0.000 1.253 199 Y HN 0.152 nan 8.280 nan 0.000 0.604 200 D N 1.657 122.217 120.400 0.267 0.000 2.737 200 D HA -0.252 4.388 4.640 0.001 0.000 0.233 200 D C 0.716 176.942 176.300 -0.123 0.000 1.155 200 D CA 0.827 54.884 54.000 0.095 0.000 0.667 200 D CB -0.828 40.065 40.800 0.155 0.000 1.060 200 D HN 0.655 nan 8.370 nan 0.000 0.427 201 L N -0.621 120.425 121.223 -0.295 0.000 2.375 201 L HA -0.044 4.296 4.340 0.001 0.000 0.215 201 L C 2.392 178.611 176.870 -1.085 0.000 1.108 201 L CA -0.034 54.380 54.840 -0.710 0.000 0.830 201 L CB -0.062 41.374 42.059 -1.038 0.000 0.959 201 L HN 0.143 nan 8.230 nan 0.000 0.457 202 L N 0.688 121.517 121.223 -0.656 0.000 1.970 202 L HA -0.271 4.069 4.340 0.001 0.000 0.212 202 L C 2.437 179.062 176.870 -0.408 0.000 1.071 202 L CA 2.197 56.776 54.840 -0.436 0.000 0.751 202 L CB -0.563 41.405 42.059 -0.152 0.000 0.889 202 L HN 0.316 nan 8.230 nan 0.000 0.432 203 E N -1.001 119.009 120.200 -0.317 0.000 2.077 203 E HA -0.305 4.045 4.350 0.001 0.000 0.193 203 E C 1.936 178.396 176.600 -0.234 0.000 0.989 203 E CA 1.546 57.809 56.400 -0.229 0.000 0.800 203 E CB -0.267 29.338 29.700 -0.158 0.000 0.746 203 E HN 0.654 nan 8.360 nan 0.000 0.452 204 D N -0.647 119.610 120.400 -0.239 0.000 2.133 204 D HA -0.136 4.504 4.640 0.001 0.000 0.195 204 D C 1.882 178.098 176.300 -0.139 0.000 0.997 204 D CA 1.830 55.782 54.000 -0.080 0.000 0.840 204 D CB -0.544 40.221 40.800 -0.058 0.000 0.947 204 D HN 0.313 nan 8.370 nan 0.000 0.452 205 G N -0.039 108.443 108.800 -0.531 0.000 2.402 205 G HA2 -0.167 3.793 3.960 0.001 0.000 0.216 205 G HA3 -0.167 3.793 3.960 0.001 0.000 0.216 205 G C 1.712 176.496 174.900 -0.193 0.000 1.162 205 G CA 0.474 45.248 45.100 -0.544 0.000 0.777 205 G HN 0.342 nan 8.290 nan 0.000 0.539 206 L N -0.299 120.794 121.223 -0.217 0.000 2.191 206 L HA -0.007 4.334 4.340 0.001 0.000 0.212 206 L C 2.781 179.547 176.870 -0.173 0.000 1.103 206 L CA 1.049 55.765 54.840 -0.206 0.000 0.769 206 L CB -0.143 41.703 42.059 -0.355 0.000 0.908 206 L HN 0.198 nan 8.230 nan 0.000 0.438 207 K N -1.577 118.664 120.400 -0.266 0.000 2.242 207 K HA 0.049 4.369 4.320 0.001 0.000 0.200 207 K C 1.467 177.754 176.600 -0.523 0.000 1.050 207 K CA 0.571 56.592 56.287 -0.443 0.000 0.981 207 K CB 0.280 32.352 32.500 -0.715 0.000 0.795 207 K HN 0.385 nan 8.250 nan 0.000 0.477 208 H N -0.907 118.209 119.070 0.078 0.000 3.255 208 H HA 0.275 4.831 4.556 0.001 0.000 0.256 208 H C 0.306 175.768 175.328 0.223 0.000 1.049 208 H CA -0.168 55.963 56.048 0.138 0.000 1.202 208 H CB 0.320 30.174 29.762 0.155 0.000 1.497 208 H HN 0.010 nan 8.280 nan 0.000 0.503 209 A N 1.719 124.743 122.820 0.340 0.000 2.546 209 A HA 0.060 4.381 4.320 0.001 0.000 0.243 209 A C 0.768 178.499 177.584 0.244 0.000 1.063 209 A CA 0.384 52.653 52.037 0.386 0.000 0.757 209 A CB 0.369 19.504 19.000 0.225 0.000 0.991 209 A HN 0.470 nan 8.150 nan 0.000 0.503 210 E N 0.863 121.202 120.200 0.232 0.000 2.467 210 E HA 0.244 4.594 4.350 0.001 0.000 0.213 210 E C -0.047 176.627 176.600 0.124 0.000 0.823 210 E CA 0.159 56.646 56.400 0.145 0.000 1.233 210 E CB 0.607 30.379 29.700 0.121 0.000 1.233 210 E HN 0.790 nan 8.360 nan 0.000 0.585 211 M N 1.236 120.927 119.600 0.152 0.000 2.414 211 M HA 0.412 4.893 4.480 0.001 0.000 0.287 211 M C -2.178 174.178 176.300 0.094 0.000 1.181 211 M CA -0.424 54.940 55.300 0.106 0.000 0.933 211 M CB 2.180 34.803 32.600 0.039 0.000 1.732 211 M HN -0.124 nan 8.290 nan 0.000 0.486 212 I N 4.309 124.926 120.570 0.078 0.000 2.447 212 I HA 0.403 4.573 4.170 0.001 0.000 0.287 212 I C -0.936 174.954 176.117 -0.379 0.000 1.023 212 I CA -0.994 60.203 61.300 -0.173 0.000 1.083 212 I CB 2.158 39.974 38.000 -0.306 0.000 1.245 212 I HN 0.369 nan 8.210 nan 0.000 0.434 213 V N 6.873 126.477 119.914 -0.517 0.000 2.334 213 V HA 0.264 4.385 4.120 0.001 0.000 0.267 213 V C -0.353 175.471 176.094 -0.450 0.000 1.040 213 V CA -0.309 61.714 62.300 -0.462 0.000 0.866 213 V CB 0.435 31.909 31.823 -0.581 0.000 1.019 213 V HN 0.376 nan 8.190 nan 0.000 0.468 214 F N 4.645 124.321 119.950 -0.456 0.000 2.405 214 F HA 0.305 4.832 4.527 0.001 0.000 0.358 214 F C 0.156 175.919 175.800 -0.061 0.000 1.151 214 F CA -0.188 57.558 58.000 -0.423 0.000 1.161 214 F CB 0.540 38.859 39.000 -1.135 0.000 1.245 214 F HN 0.497 nan 8.300 nan 0.000 0.545 215 W N 3.987 125.381 121.300 0.157 0.000 2.329 215 W HA 0.271 4.931 4.660 0.001 0.000 0.312 215 W C 0.633 177.371 176.519 0.366 0.000 1.054 215 W CA -1.220 56.316 57.345 0.317 0.000 1.245 215 W CB 1.469 31.203 29.460 0.455 0.000 1.255 215 W HN 0.494 nan 8.180 nan 0.000 0.436 216 S N 3.668 119.704 115.700 0.561 0.000 3.631 216 S HA -0.228 4.242 4.470 0.001 0.000 0.366 216 S C -0.334 174.432 174.600 0.277 0.000 0.993 216 S CA 1.424 59.792 58.200 0.280 0.000 1.167 216 S CB -1.180 61.971 63.200 -0.083 0.000 0.909 216 S HN 0.582 nan 8.310 nan 0.000 0.478 217 S N 0.819 116.701 115.700 0.304 0.000 2.614 217 S HA 0.586 5.056 4.470 0.001 0.000 0.288 217 S C -1.373 173.355 174.600 0.214 0.000 1.137 217 S CA -0.457 57.901 58.200 0.262 0.000 0.992 217 S CB 1.790 65.190 63.200 0.334 0.000 1.026 217 S HN 0.409 nan 8.310 nan 0.000 0.486 218 D N 5.082 125.555 120.400 0.122 0.000 2.613 218 D HA 0.405 5.046 4.640 0.001 0.000 0.312 218 D C -1.949 174.357 176.300 0.009 0.000 1.202 218 D CA -1.965 52.071 54.000 0.060 0.000 0.825 218 D CB 1.334 42.171 40.800 0.062 0.000 1.113 218 D HN 0.225 nan 8.370 nan 0.000 0.502 219 P HA -0.192 nan 4.420 nan 0.000 0.218 219 P C 1.262 178.531 177.300 -0.050 0.000 1.154 219 P CA 1.174 64.246 63.100 -0.047 0.000 0.872 219 P CB 0.478 32.130 31.700 -0.080 0.000 0.790 220 E N -1.027 119.160 120.200 -0.022 0.000 2.051 220 E HA -0.122 4.228 4.350 0.001 0.000 0.192 220 E C 2.058 178.667 176.600 0.015 0.000 0.991 220 E CA 1.486 57.935 56.400 0.083 0.000 0.799 220 E CB -1.408 28.361 29.700 0.114 0.000 0.748 220 E HN 0.266 nan 8.360 nan 0.000 0.449 221 T N 2.364 116.912 114.554 -0.010 0.000 2.643 221 T HA -0.093 4.257 4.350 0.001 0.000 0.264 221 T C 1.661 176.274 174.700 -0.145 0.000 1.045 221 T CA 1.356 63.407 62.100 -0.082 0.000 1.155 221 T CB -0.177 68.684 68.868 -0.012 0.000 0.863 221 T HN 0.144 nan 8.240 nan 0.000 0.420 222 N N 0.955 119.594 118.700 -0.101 0.000 2.207 222 N HA -0.060 4.681 4.740 0.001 0.000 0.182 222 N C 1.313 176.755 175.510 -0.115 0.000 1.020 222 N CA 1.315 54.304 53.050 -0.101 0.000 0.858 222 N CB -0.155 38.292 38.487 -0.066 0.000 0.991 222 N HN 0.553 nan 8.380 nan 0.000 0.427 223 S N -1.308 114.320 115.700 -0.120 0.000 3.476 223 S HA -0.209 4.262 4.470 0.001 0.000 0.309 223 S C 1.082 175.632 174.600 -0.083 0.000 1.222 223 S CA 1.912 60.034 58.200 -0.130 0.000 0.922 223 S CB -2.034 61.039 63.200 -0.211 0.000 1.023 223 S HN 0.820 nan 8.310 nan 0.000 0.591 224 G N 1.023 109.798 108.800 -0.042 0.000 5.045 224 G HA2 -0.249 3.712 3.960 0.001 0.000 0.229 224 G HA3 -0.249 3.712 3.960 0.001 0.000 0.229 224 G C 0.120 175.066 174.900 0.077 0.000 1.440 224 G CA 0.083 45.176 45.100 -0.013 0.000 0.936 224 G HN 2.072 nan 8.290 nan 0.000 0.690 225 I N -2.330 118.229 120.570 -0.018 0.000 2.573 225 I HA 0.302 4.472 4.170 0.001 0.000 0.298 225 I C 0.523 176.564 176.117 -0.127 0.000 1.836 225 I CA 0.011 61.210 61.300 -0.168 0.000 1.009 225 I CB 0.044 37.921 38.000 -0.205 0.000 1.590 225 I HN 1.201 nan 8.210 nan 0.000 0.532 226 Y N 3.063 123.410 120.300 0.079 0.000 4.916 226 Y HA -0.309 4.242 4.550 0.001 0.000 0.247 226 Y C 1.039 176.981 175.900 0.070 0.000 0.962 226 Y CA 0.757 58.858 58.100 0.002 0.000 1.933 226 Y CB -1.643 36.794 38.460 -0.039 0.000 1.451 226 Y HN 0.703 nan 8.280 nan 0.000 0.539 227 A N 0.554 123.450 122.820 0.127 0.000 2.708 227 A HA 0.599 4.919 4.320 0.001 0.000 0.293 227 A C 1.641 179.236 177.584 0.017 0.000 1.303 227 A CA 0.826 52.893 52.037 0.050 0.000 0.949 227 A CB -0.775 18.148 19.000 -0.127 0.000 1.121 227 A HN 1.092 nan 8.150 nan 0.000 0.542 228 G N 0.643 109.422 108.800 -0.036 0.000 2.693 228 G HA2 -0.369 3.592 3.960 0.001 0.000 0.354 228 G HA3 -0.369 3.592 3.960 0.001 0.000 0.354 228 G C 0.302 174.851 174.900 -0.586 0.000 1.207 228 G CA 1.553 46.486 45.100 -0.278 0.000 0.958 228 G HN 0.774 nan 8.290 nan 0.000 0.560 229 F N 1.499 121.447 119.950 -0.003 0.000 2.835 229 F HA 0.375 4.903 4.527 0.001 0.000 0.342 229 F C 1.653 177.430 175.800 -0.038 0.000 1.202 229 F CA -0.023 57.950 58.000 -0.044 0.000 1.240 229 F CB 1.002 39.960 39.000 -0.070 0.000 1.005 229 F HN 0.239 nan 8.300 nan 0.000 0.507 230 E N 0.341 120.588 120.200 0.079 0.000 2.097 230 E HA -0.207 4.144 4.350 0.001 0.000 0.196 230 E C 2.147 178.755 176.600 0.012 0.000 1.000 230 E CA 1.842 58.269 56.400 0.044 0.000 0.804 230 E CB -0.231 29.444 29.700 -0.041 0.000 0.740 230 E HN 0.409 nan 8.360 nan 0.000 0.454 231 S N 0.794 116.488 115.700 -0.011 0.000 2.603 231 S HA -0.015 4.456 4.470 0.001 0.000 0.220 231 S C 1.475 176.028 174.600 -0.079 0.000 0.967 231 S CA 0.212 58.385 58.200 -0.044 0.000 0.920 231 S CB -0.133 63.032 63.200 -0.058 0.000 0.773 231 S HN 0.159 nan 8.310 nan 0.000 0.529 232 N N 2.442 121.115 118.700 -0.045 0.000 2.069 232 N HA -0.119 4.622 4.740 0.001 0.000 0.191 232 N C 1.630 177.033 175.510 -0.179 0.000 1.031 232 N CA 1.719 54.724 53.050 -0.074 0.000 0.852 232 N CB -0.391 38.072 38.487 -0.040 0.000 1.018 232 N HN 0.599 nan 8.380 nan 0.000 0.423 233 I N 0.815 121.213 120.570 -0.286 0.000 2.614 233 I HA -0.161 4.009 4.170 0.001 0.000 0.258 233 I C 2.208 177.749 176.117 -0.960 0.000 1.189 233 I CA 0.572 61.538 61.300 -0.556 0.000 1.462 233 I CB -0.000 37.647 38.000 -0.589 0.000 1.092 233 I HN 0.167 nan 8.210 nan 0.000 0.442 234 R N 0.211 120.333 120.500 -0.630 0.000 2.066 234 R HA -0.092 4.248 4.340 0.001 0.000 0.232 234 R C 2.315 178.578 176.300 -0.061 0.000 1.131 234 R CA 1.124 57.011 56.100 -0.355 0.000 0.955 234 R CB -0.352 29.921 30.300 -0.044 0.000 0.851 234 R HN 0.308 nan 8.270 nan 0.000 0.432 235 R N 0.422 120.889 120.500 -0.055 0.000 2.148 235 R HA -0.132 4.209 4.340 0.001 0.000 0.227 235 R C 2.268 178.689 176.300 0.201 0.000 1.103 235 R CA 1.060 57.224 56.100 0.106 0.000 0.983 235 R CB -0.058 30.236 30.300 -0.009 0.000 0.874 235 R HN 0.126 nan 8.270 nan 0.000 0.451 236 Q N 0.016 119.829 119.800 0.021 0.000 2.079 236 Q HA -0.162 4.178 4.340 0.001 0.000 0.200 236 Q C 1.443 177.576 176.000 0.222 0.000 0.974 236 Q CA 1.538 57.379 55.803 0.063 0.000 0.840 236 Q CB -0.091 28.605 28.738 -0.070 0.000 0.898 236 Q HN 0.284 nan 8.270 nan 0.000 0.430 237 W N 0.416 121.816 121.300 0.167 0.000 2.355 237 W HA -0.101 4.559 4.660 0.001 0.000 0.309 237 W C 1.984 178.573 176.519 0.117 0.000 1.206 237 W CA 0.710 58.159 57.345 0.172 0.000 1.284 237 W CB -1.138 28.359 29.460 0.062 0.000 1.145 237 W HN 0.234 nan 8.180 nan 0.000 0.502 238 L N 0.291 121.728 121.223 0.357 0.000 2.042 238 L HA -0.241 4.099 4.340 0.001 0.000 0.210 238 L C 2.561 179.525 176.870 0.156 0.000 1.076 238 L CA 1.766 56.772 54.840 0.276 0.000 0.749 238 L CB -0.962 41.350 42.059 0.422 0.000 0.893 238 L HN -0.054 nan 8.230 nan 0.000 0.432 239 K N 0.069 120.557 120.400 0.147 0.000 2.057 239 K HA -0.194 4.127 4.320 0.001 0.000 0.207 239 K C 1.285 177.897 176.600 0.020 0.000 1.049 239 K CA 1.693 57.947 56.287 -0.055 0.000 0.931 239 K CB 0.021 32.541 32.500 0.032 0.000 0.714 239 K HN 0.267 nan 8.250 nan 0.000 0.440 240 D N 0.491 120.968 120.400 0.129 0.000 2.363 240 D HA -0.030 4.611 4.640 0.001 0.000 0.226 240 D C 1.084 177.465 176.300 0.135 0.000 1.020 240 D CA 0.536 54.618 54.000 0.137 0.000 0.892 240 D CB 0.305 41.226 40.800 0.202 0.000 0.900 240 D HN 0.284 nan 8.370 nan 0.000 0.531 241 L N -0.742 120.558 121.223 0.128 0.000 2.667 241 L HA 0.230 4.570 4.340 0.001 0.000 0.232 241 L C 1.242 178.148 176.870 0.061 0.000 1.138 241 L CA 0.020 54.929 54.840 0.115 0.000 0.921 241 L CB 0.368 42.507 42.059 0.133 0.000 1.180 241 L HN 0.045 nan 8.230 nan 0.000 0.487 242 G N 0.542 109.356 108.800 0.022 0.000 2.136 242 G HA2 -0.237 3.723 3.960 0.001 0.000 0.242 242 G HA3 -0.237 3.723 3.960 0.001 0.000 0.242 242 G C 0.135 175.009 174.900 -0.043 0.000 0.989 242 G CA -0.004 45.090 45.100 -0.010 0.000 0.682 242 G HN 0.096 nan 8.290 nan 0.000 0.522 243 V N 1.676 121.540 119.914 -0.083 0.000 2.488 243 V HA 0.304 4.424 4.120 0.001 0.000 0.277 243 V C 0.355 176.247 176.094 -0.337 0.000 1.046 243 V CA -0.641 61.597 62.300 -0.103 0.000 0.986 243 V CB 1.260 33.096 31.823 0.022 0.000 0.989 243 V HN 0.294 nan 8.190 nan 0.000 0.475 244 D N 4.499 124.808 120.400 -0.150 0.000 2.302 244 D HA 0.355 4.995 4.640 0.001 0.000 0.248 244 D C -0.470 175.872 176.300 0.070 0.000 1.094 244 D CA 0.342 54.266 54.000 -0.127 0.000 0.897 244 D CB 1.083 41.885 40.800 0.005 0.000 1.200 244 D HN 0.383 nan 8.370 nan 0.000 0.429 245 F N 0.787 120.824 119.950 0.145 0.000 2.449 245 F HA 0.332 4.859 4.527 0.001 0.000 0.342 245 F C 0.003 175.923 175.800 0.200 0.000 1.127 245 F CA -1.087 57.045 58.000 0.220 0.000 0.975 245 F CB 1.726 40.976 39.000 0.416 0.000 1.146 245 F HN -0.142 nan 8.300 nan 0.000 0.444 246 V N 4.326 124.373 119.914 0.222 0.000 2.448 246 V HA 0.388 4.508 4.120 0.001 0.000 0.295 246 V C -0.747 175.319 176.094 -0.047 0.000 1.025 246 V CA -0.785 61.545 62.300 0.050 0.000 0.859 246 V CB 1.742 33.467 31.823 -0.163 0.000 0.988 246 V HN 0.449 nan 8.190 nan 0.000 0.431 247 F N 4.817 124.745 119.950 -0.037 0.000 2.449 247 F HA 0.613 5.141 4.527 0.001 0.000 0.342 247 F C 0.121 175.901 175.800 -0.032 0.000 1.127 247 F CA -0.694 57.337 58.000 0.052 0.000 0.975 247 F CB 1.572 40.636 39.000 0.107 0.000 1.146 247 F HN 0.240 nan 8.300 nan 0.000 0.444 248 I N 3.856 124.439 120.570 0.022 0.000 2.359 248 I HA 0.346 4.516 4.170 0.001 0.000 0.284 248 I C -1.022 175.160 176.117 0.108 0.000 1.018 248 I CA -0.223 60.998 61.300 -0.132 0.000 1.173 248 I CB 1.110 38.670 38.000 -0.733 0.000 1.326 248 I HN 0.456 nan 8.210 nan 0.000 0.462 249 D N 8.159 128.713 120.400 0.256 0.000 2.871 249 D HA 0.212 4.853 4.640 0.001 0.000 0.209 249 D C -2.373 174.171 176.300 0.407 0.000 1.292 249 D CA -1.482 52.718 54.000 0.334 0.000 0.869 249 D CB 3.122 44.141 40.800 0.366 0.000 1.663 249 D HN 0.016 nan 8.370 nan 0.000 0.557 250 P HA -0.108 nan 4.420 nan 0.000 0.217 250 P C -0.047 177.536 177.300 0.471 0.000 1.148 250 P CA 1.154 64.414 63.100 0.266 0.000 0.828 250 P CB 0.003 31.814 31.700 0.184 0.000 0.783 251 H N -0.861 118.407 119.070 0.331 0.000 2.481 251 H HA 0.329 4.885 4.556 0.001 0.000 0.333 251 H C -0.284 175.030 175.328 -0.024 0.000 1.066 251 H CA -1.122 55.020 56.048 0.156 0.000 1.209 251 H CB 0.740 30.486 29.762 -0.026 0.000 1.445 251 H HN -0.162 nan 8.280 nan 0.000 0.488 252 M N 6.224 125.277 119.600 -0.912 0.000 3.102 252 M HA -0.042 4.438 4.480 0.001 0.000 0.269 252 M C -0.321 175.150 176.300 -1.382 0.000 1.551 252 M CA -0.237 54.053 55.300 -1.682 0.000 1.629 252 M CB -0.925 30.408 32.600 -2.112 0.000 1.324 252 M HN 0.654 nan 8.290 nan 0.000 0.509 253 N N 1.575 119.684 118.700 -0.985 0.000 2.267 253 N HA -0.113 4.628 4.740 0.001 0.000 0.226 253 N C 0.595 175.660 175.510 -0.741 0.000 1.314 253 N CA 0.280 52.853 53.050 -0.796 0.000 0.887 253 N CB 0.308 38.622 38.487 -0.288 0.000 1.120 253 N HN 0.439 nan 8.380 nan 0.000 0.440 254 H N -0.728 118.152 119.070 -0.317 0.000 2.489 254 H HA -0.079 4.477 4.556 0.001 0.000 0.295 254 H C 1.025 176.166 175.328 -0.312 0.000 1.082 254 H CA 1.768 57.654 56.048 -0.269 0.000 1.295 254 H CB -0.373 29.298 29.762 -0.152 0.000 1.380 254 H HN 0.654 nan 8.280 nan 0.000 0.548 255 T N 0.456 114.837 114.554 -0.287 0.000 2.852 255 T HA 0.051 4.402 4.350 0.001 0.000 0.256 255 T C 2.419 176.660 174.700 -0.765 0.000 1.038 255 T CA 0.898 62.773 62.100 -0.376 0.000 1.141 255 T CB -0.269 68.442 68.868 -0.262 0.000 0.869 255 T HN 0.421 nan 8.240 nan 0.000 0.439 256 A N 2.063 124.140 122.820 -1.238 0.000 1.978 256 A HA -0.132 4.189 4.320 0.001 0.000 0.220 256 A C 2.310 179.406 177.584 -0.814 0.000 1.170 256 A CA 1.290 52.379 52.037 -1.580 0.000 0.636 256 A CB -0.490 17.683 19.000 -1.377 0.000 0.810 256 A HN 0.404 nan 8.150 nan 0.000 0.448 257 R N -1.503 118.619 120.500 -0.630 0.000 2.235 257 R HA 0.030 4.370 4.340 0.001 0.000 0.213 257 R C 1.807 177.934 176.300 -0.288 0.000 1.059 257 R CA 1.082 56.926 56.100 -0.426 0.000 0.997 257 R CB -0.247 29.838 30.300 -0.359 0.000 0.884 257 R HN 0.506 nan 8.270 nan 0.000 0.462 258 L N -0.297 120.751 121.223 -0.290 0.000 2.286 258 L HA 0.015 4.355 4.340 0.001 0.000 0.203 258 L C 1.354 178.150 176.870 -0.122 0.000 1.068 258 L CA 0.927 55.660 54.840 -0.179 0.000 0.811 258 L CB 0.834 42.801 42.059 -0.153 0.000 0.989 258 L HN -0.011 nan 8.230 nan 0.000 0.467 259 V N -3.505 116.327 119.914 -0.136 0.000 3.199 259 V HA 0.634 4.754 4.120 0.001 0.000 0.331 259 V C 0.626 176.826 176.094 0.178 0.000 1.446 259 V CA -0.219 62.130 62.300 0.081 0.000 1.120 259 V CB -0.685 31.328 31.823 0.316 0.000 1.051 259 V HN 0.187 nan 8.190 nan 0.000 0.495 260 A N 0.373 123.141 122.820 -0.085 0.000 2.445 260 A HA 0.483 4.803 4.320 0.001 0.000 0.242 260 A C 0.774 178.432 177.584 0.124 0.000 1.075 260 A CA 0.523 52.585 52.037 0.042 0.000 0.777 260 A CB 0.227 19.090 19.000 -0.227 0.000 1.013 260 A HN 0.435 nan 8.150 nan 0.000 0.493 261 D N -0.477 120.049 120.400 0.210 0.000 2.454 261 D HA 0.175 4.816 4.640 0.001 0.000 0.219 261 D C -0.069 176.314 176.300 0.138 0.000 1.081 261 D CA 0.786 54.864 54.000 0.130 0.000 0.867 261 D CB 0.575 41.440 40.800 0.108 0.000 1.054 261 D HN 0.447 nan 8.370 nan 0.000 0.500 262 K N -0.128 120.381 120.400 0.182 0.000 2.589 262 K HA 0.295 4.616 4.320 0.001 0.000 0.265 262 K C -2.443 174.283 176.600 0.209 0.000 0.935 262 K CA -0.651 55.736 56.287 0.166 0.000 0.850 262 K CB 1.508 34.064 32.500 0.093 0.000 1.372 262 K HN -0.093 nan 8.250 nan 0.000 0.420 263 W N 6.289 127.601 121.300 0.019 0.000 2.957 263 W HA 0.666 5.326 4.660 0.001 0.000 0.336 263 W C -1.927 174.726 176.519 0.223 0.000 1.087 263 W CA -0.803 56.553 57.345 0.018 0.000 1.235 263 W CB 0.982 30.433 29.460 -0.015 0.000 1.399 263 W HN 0.303 nan 8.180 nan 0.000 0.480 264 F N 3.885 123.516 119.950 -0.531 0.000 2.480 264 F HA 0.499 5.026 4.527 0.001 0.000 0.329 264 F C 0.452 175.664 175.800 -0.981 0.000 1.091 264 F CA -1.919 55.679 58.000 -0.669 0.000 0.972 264 F CB 1.918 40.710 39.000 -0.346 0.000 1.150 264 F HN 0.282 nan 8.300 nan 0.000 0.467 265 S N 5.010 120.297 115.700 -0.688 0.000 2.150 265 S HA 0.388 4.859 4.470 0.001 0.000 0.171 265 S C -2.713 171.776 174.600 -0.185 0.000 1.620 265 S CA -1.518 56.404 58.200 -0.463 0.000 1.190 265 S CB -0.159 62.688 63.200 -0.589 0.000 1.102 265 S HN 0.280 nan 8.310 nan 0.000 0.464 266 P HA 0.145 nan 4.420 nan 0.000 0.269 266 P C -0.447 176.850 177.300 -0.006 0.000 1.215 266 P CA -0.295 62.788 63.100 -0.029 0.000 0.780 266 P CB 0.689 32.426 31.700 0.061 0.000 0.898 267 K N 1.761 122.146 120.400 -0.024 0.000 2.276 267 K HA 0.170 4.490 4.320 0.001 0.000 0.259 267 K C 0.805 177.392 176.600 -0.022 0.000 1.001 267 K CA -0.486 55.786 56.287 -0.024 0.000 0.927 267 K CB -0.006 32.468 32.500 -0.043 0.000 0.969 267 K HN 0.492 nan 8.250 nan 0.000 0.490 268 I N -1.345 119.201 120.570 -0.041 0.000 2.775 268 I HA 0.071 4.242 4.170 0.001 0.000 0.290 268 I C 0.924 176.916 176.117 -0.210 0.000 1.203 268 I CA 0.300 61.544 61.300 -0.095 0.000 1.433 268 I CB -0.217 37.734 38.000 -0.082 0.000 1.354 268 I HN 0.825 nan 8.210 nan 0.000 0.579 269 G N 3.607 112.095 108.800 -0.520 0.000 2.198 269 G HA2 -0.280 3.680 3.960 0.001 0.000 0.260 269 G HA3 -0.280 3.680 3.960 0.001 0.000 0.260 269 G C 0.477 175.176 174.900 -0.336 0.000 1.025 269 G CA 0.538 45.010 45.100 -1.047 0.000 0.769 269 G HN 1.359 nan 8.290 nan 0.000 0.507 270 T N -4.093 110.443 114.554 -0.030 0.000 3.170 270 T HA 0.347 4.698 4.350 0.001 0.000 0.288 270 T C 1.107 176.083 174.700 0.461 0.000 0.992 270 T CA 0.893 63.151 62.100 0.262 0.000 0.909 270 T CB 0.425 69.350 68.868 0.096 0.000 1.133 270 T HN 0.088 nan 8.240 nan 0.000 0.530 271 D N 2.368 123.166 120.400 0.663 0.000 2.117 271 D HA -0.171 4.469 4.640 0.001 0.000 0.197 271 D C 2.038 178.884 176.300 0.909 0.000 0.987 271 D CA 1.617 56.124 54.000 0.846 0.000 0.829 271 D CB -0.206 41.157 40.800 0.938 0.000 0.961 271 D HN 0.669 nan 8.370 nan 0.000 0.460 272 H N 0.230 119.709 119.070 0.682 0.000 2.541 272 H HA 0.136 4.693 4.556 0.001 0.000 0.289 272 H C 1.717 177.503 175.328 0.763 0.000 1.054 272 H CA 1.118 57.536 56.048 0.617 0.000 1.250 272 H CB -0.737 29.415 29.762 0.650 0.000 1.369 272 H HN 0.168 nan 8.280 nan 0.000 0.578 273 A N 1.988 125.096 122.820 0.481 0.000 1.897 273 A HA 0.049 4.370 4.320 0.001 0.000 0.215 273 A C 2.707 180.476 177.584 0.309 0.000 1.181 273 A CA 0.896 53.027 52.037 0.157 0.000 0.620 273 A CB -0.651 18.128 19.000 -0.367 0.000 0.821 273 A HN 0.349 nan 8.150 nan 0.000 0.443 274 L N 0.734 122.177 121.223 0.367 0.000 2.131 274 L HA -0.161 4.179 4.340 0.001 0.000 0.210 274 L C 2.925 180.068 176.870 0.456 0.000 1.092 274 L CA 1.649 56.720 54.840 0.386 0.000 0.759 274 L CB -0.801 41.533 42.059 0.458 0.000 0.903 274 L HN 0.614 nan 8.230 nan 0.000 0.435 275 S N -0.265 115.729 115.700 0.491 0.000 2.371 275 S HA -0.120 4.351 4.470 0.001 0.000 0.224 275 S C 1.901 176.556 174.600 0.092 0.000 1.029 275 S CA 0.712 59.045 58.200 0.222 0.000 0.978 275 S CB -0.802 62.397 63.200 -0.002 0.000 0.833 275 S HN 0.289 nan 8.310 nan 0.000 0.466 276 F N 2.406 122.515 119.950 0.266 0.000 2.186 276 F HA 0.111 4.638 4.527 0.001 0.000 0.299 276 F C 2.887 178.716 175.800 0.048 0.000 1.090 276 F CA 0.795 58.878 58.000 0.140 0.000 1.307 276 F CB -0.477 38.596 39.000 0.120 0.000 1.019 276 F HN 0.315 nan 8.300 nan 0.000 0.489 277 A N 0.078 123.076 122.820 0.296 0.000 1.969 277 A HA -0.110 4.211 4.320 0.001 0.000 0.218 277 A C 2.139 179.752 177.584 0.048 0.000 1.169 277 A CA 1.310 53.449 52.037 0.169 0.000 0.635 277 A CB -0.889 18.213 19.000 0.170 0.000 0.810 277 A HN 0.410 nan 8.150 nan 0.000 0.445 278 I N -0.554 119.970 120.570 -0.076 0.000 2.286 278 I HA -0.196 3.974 4.170 0.001 0.000 0.245 278 I C 2.926 178.570 176.117 -0.788 0.000 1.104 278 I CA 0.910 61.941 61.300 -0.448 0.000 1.397 278 I CB -0.232 37.440 38.000 -0.547 0.000 1.072 278 I HN 0.341 nan 8.210 nan 0.000 0.417 279 A N 0.142 122.692 122.820 -0.450 0.000 1.898 279 A HA -0.279 4.041 4.320 0.001 0.000 0.216 279 A C 2.280 179.822 177.584 -0.070 0.000 1.181 279 A CA 1.383 53.293 52.037 -0.212 0.000 0.620 279 A CB -1.033 18.039 19.000 0.119 0.000 0.819 279 A HN 0.514 nan 8.150 nan 0.000 0.442 280 Y N 1.441 121.646 120.300 -0.159 0.000 2.114 280 Y HA -0.243 4.308 4.550 0.001 0.000 0.282 280 Y C 2.610 178.472 175.900 -0.064 0.000 1.165 280 Y CA 2.470 60.488 58.100 -0.135 0.000 1.148 280 Y CB -0.710 37.663 38.460 -0.146 0.000 0.972 280 Y HN 0.316 nan 8.280 nan 0.000 0.504 281 T N -0.214 114.353 114.554 0.022 0.000 2.746 281 T HA -0.216 4.135 4.350 0.001 0.000 0.267 281 T C 1.409 176.186 174.700 0.128 0.000 1.039 281 T CA 1.674 63.792 62.100 0.029 0.000 1.142 281 T CB -0.508 68.380 68.868 0.034 0.000 0.866 281 T HN 0.486 nan 8.240 nan 0.000 0.444 282 W N 1.270 122.577 121.300 0.012 0.000 2.402 282 W HA 0.199 4.859 4.660 0.001 0.000 0.286 282 W C 2.006 178.574 176.519 0.082 0.000 1.221 282 W CA -0.119 57.262 57.345 0.060 0.000 1.257 282 W CB -1.327 28.155 29.460 0.037 0.000 1.120 282 W HN 0.293 nan 8.180 nan 0.000 0.551 283 L N 0.190 121.507 121.223 0.156 0.000 2.072 283 L HA -0.167 4.174 4.340 0.001 0.000 0.205 283 L C 2.575 179.442 176.870 -0.005 0.000 1.079 283 L CA 1.092 55.974 54.840 0.069 0.000 0.752 283 L CB -0.758 41.232 42.059 -0.115 0.000 0.906 283 L HN -0.247 nan 8.230 nan 0.000 0.436 284 K N 0.422 120.714 120.400 -0.181 0.000 2.148 284 K HA -0.106 4.215 4.320 0.001 0.000 0.204 284 K C 1.263 177.844 176.600 -0.032 0.000 1.050 284 K CA 1.202 57.373 56.287 -0.193 0.000 0.942 284 K CB -0.021 32.262 32.500 -0.361 0.000 0.724 284 K HN 0.424 nan 8.250 nan 0.000 0.446 285 E N 0.421 120.653 120.200 0.054 0.000 2.499 285 E HA 0.025 4.375 4.350 0.001 0.000 0.199 285 E C -0.985 175.684 176.600 0.115 0.000 1.016 285 E CA -0.168 56.286 56.400 0.091 0.000 0.933 285 E CB 0.252 30.027 29.700 0.124 0.000 1.050 285 E HN 0.181 nan 8.360 nan 0.000 0.462 286 D N 1.034 121.524 120.400 0.150 0.000 2.702 286 D HA -0.174 4.466 4.640 0.001 0.000 0.233 286 D C -0.516 175.830 176.300 0.076 0.000 1.164 286 D CA 1.126 55.205 54.000 0.132 0.000 0.638 286 D CB -1.000 39.814 40.800 0.024 0.000 1.041 286 D HN 0.176 nan 8.370 nan 0.000 0.422 287 S N 0.051 115.867 115.700 0.193 0.000 2.912 287 S HA 0.510 4.980 4.470 0.001 0.000 0.184 287 S C -0.291 174.259 174.600 -0.083 0.000 1.390 287 S CA -0.919 57.301 58.200 0.034 0.000 1.088 287 S CB -0.147 63.087 63.200 0.056 0.000 1.284 287 S HN 0.465 nan 8.310 nan 0.000 0.502 288 Y N -2.217 117.946 120.300 -0.229 0.000 2.725 288 Y HA 0.618 5.168 4.550 0.001 0.000 0.333 288 Y C -1.278 174.508 175.900 -0.189 0.000 1.242 288 Y CA -1.478 56.431 58.100 -0.318 0.000 1.059 288 Y CB 0.272 38.600 38.460 -0.221 0.000 1.306 288 Y HN 0.132 nan 8.280 nan 0.000 0.454 289 D N 1.747 122.067 120.400 -0.132 0.000 2.435 289 D HA 0.171 4.812 4.640 0.001 0.000 0.230 289 D C 0.294 176.496 176.300 -0.164 0.000 1.215 289 D CA 0.193 54.093 54.000 -0.166 0.000 0.947 289 D CB 0.716 41.444 40.800 -0.120 0.000 1.048 289 D HN 0.710 nan 8.370 nan 0.000 0.512 290 K N 1.872 122.032 120.400 -0.400 0.000 2.057 290 K HA -0.163 4.157 4.320 0.001 0.000 0.207 290 K C 1.475 178.012 176.600 -0.106 0.000 1.049 290 K CA 1.056 57.154 56.287 -0.316 0.000 0.931 290 K CB 0.352 32.632 32.500 -0.366 0.000 0.714 290 K HN 0.237 nan 8.250 nan 0.000 0.440 291 E N 0.261 120.411 120.200 -0.083 0.000 2.051 291 E HA -0.211 4.139 4.350 0.001 0.000 0.192 291 E C 1.752 178.341 176.600 -0.018 0.000 0.991 291 E CA 1.262 57.635 56.400 -0.045 0.000 0.799 291 E CB -0.444 29.231 29.700 -0.041 0.000 0.748 291 E HN 0.332 nan 8.360 nan 0.000 0.449 292 Y N 0.894 121.123 120.300 -0.118 0.000 2.097 292 Y HA -0.285 4.266 4.550 0.001 0.000 0.282 292 Y C 2.155 177.988 175.900 -0.112 0.000 1.152 292 Y CA 1.631 59.657 58.100 -0.123 0.000 1.136 292 Y CB -0.337 38.059 38.460 -0.107 0.000 0.975 292 Y HN -0.114 nan 8.280 nan 0.000 0.498 293 V N 0.521 120.513 119.914 0.130 0.000 2.392 293 V HA -0.363 3.757 4.120 0.001 0.000 0.249 293 V C 2.624 178.655 176.094 -0.105 0.000 1.059 293 V CA 1.816 64.092 62.300 -0.040 0.000 1.051 293 V CB -1.614 30.082 31.823 -0.213 0.000 0.658 293 V HN 0.605 nan 8.190 nan 0.000 0.455 294 A N -0.437 122.342 122.820 -0.068 0.000 2.019 294 A HA 0.001 4.321 4.320 0.001 0.000 0.219 294 A C 2.305 179.857 177.584 -0.053 0.000 1.164 294 A CA 2.012 54.027 52.037 -0.036 0.000 0.644 294 A CB -0.437 18.549 19.000 -0.023 0.000 0.805 294 A HN 0.577 nan 8.150 nan 0.000 0.449 295 A N -0.522 122.223 122.820 -0.124 0.000 1.924 295 A HA 0.064 4.385 4.320 0.001 0.000 0.211 295 A C 1.349 178.807 177.584 -0.209 0.000 1.198 295 A CA 0.830 52.769 52.037 -0.163 0.000 0.657 295 A CB -0.055 18.815 19.000 -0.217 0.000 0.852 295 A HN 0.457 nan 8.150 nan 0.000 0.454 296 N N 0.228 118.723 118.700 -0.342 0.000 2.273 296 N HA 0.413 5.153 4.740 0.001 0.000 0.231 296 N C -0.262 175.283 175.510 0.059 0.000 1.134 296 N CA 0.713 53.586 53.050 -0.296 0.000 0.856 296 N CB 0.826 38.777 38.487 -0.893 0.000 1.068 296 N HN 0.433 nan 8.380 nan 0.000 0.510 297 A N 0.115 122.998 122.820 0.106 0.000 2.435 297 A HA 0.571 4.892 4.320 0.001 0.000 0.304 297 A C -1.430 176.343 177.584 0.316 0.000 1.064 297 A CA -0.551 51.654 52.037 0.281 0.000 0.727 297 A CB 1.595 20.734 19.000 0.231 0.000 1.284 297 A HN 0.345 nan 8.150 nan 0.000 0.415 298 H N -0.222 119.033 119.070 0.308 0.000 2.589 298 H HA 0.523 5.079 4.556 0.001 0.000 0.351 298 H C 0.804 176.310 175.328 0.298 0.000 1.074 298 H CA 0.550 56.747 56.048 0.248 0.000 1.203 298 H CB 1.537 31.419 29.762 0.200 0.000 1.558 298 H HN 1.799 nan 8.280 nan 0.000 0.522 299 G N 3.630 112.207 108.800 -0.372 0.000 2.153 299 G HA2 -0.380 3.580 3.960 0.001 0.000 0.252 299 G HA3 -0.380 3.580 3.960 0.001 0.000 0.252 299 G C 0.782 175.697 174.900 0.026 0.000 0.994 299 G CA 0.616 45.586 45.100 -0.216 0.000 0.698 299 G HN 0.610 nan 8.290 nan 0.000 0.521 300 F N 1.092 120.971 119.950 -0.119 0.000 2.171 300 F HA 0.057 4.585 4.527 0.001 0.000 0.300 300 F C 2.373 178.157 175.800 -0.027 0.000 1.090 300 F CA 2.337 60.202 58.000 -0.225 0.000 1.293 300 F CB -0.006 38.834 39.000 -0.266 0.000 1.013 300 F HN 0.298 nan 8.300 nan 0.000 0.486 301 E N 0.524 120.748 120.200 0.040 0.000 2.049 301 E HA -0.244 4.106 4.350 0.001 0.000 0.198 301 E C 2.001 178.557 176.600 -0.074 0.000 1.007 301 E CA 2.060 58.453 56.400 -0.012 0.000 0.809 301 E CB -0.435 29.291 29.700 0.042 0.000 0.749 301 E HN 0.452 nan 8.360 nan 0.000 0.450 302 E N -0.579 119.608 120.200 -0.022 0.000 2.110 302 E HA -0.166 4.184 4.350 0.001 0.000 0.193 302 E C 1.641 178.258 176.600 0.029 0.000 0.988 302 E CA 0.997 57.400 56.400 0.006 0.000 0.804 302 E CB -0.340 29.382 29.700 0.037 0.000 0.745 302 E HN 0.353 nan 8.360 nan 0.000 0.458 303 W N 1.424 122.612 121.300 -0.186 0.000 2.355 303 W HA -0.145 4.515 4.660 0.001 0.000 0.309 303 W C 2.383 178.762 176.519 -0.234 0.000 1.206 303 W CA 2.079 59.329 57.345 -0.159 0.000 1.284 303 W CB -0.597 28.721 29.460 -0.236 0.000 1.145 303 W HN 0.072 nan 8.180 nan 0.000 0.502 304 A N 0.231 122.776 122.820 -0.458 0.000 1.917 304 A HA -0.283 4.038 4.320 0.001 0.000 0.219 304 A C 1.797 179.167 177.584 -0.357 0.000 1.182 304 A CA 2.304 54.014 52.037 -0.544 0.000 0.633 304 A CB -1.131 17.571 19.000 -0.496 0.000 0.819 304 A HN 0.352 nan 8.150 nan 0.000 0.448 305 D N -1.866 118.399 120.400 -0.225 0.000 2.144 305 D HA -0.162 4.479 4.640 0.001 0.000 0.199 305 D C 1.683 177.864 176.300 -0.199 0.000 0.984 305 D CA 1.651 55.552 54.000 -0.165 0.000 0.834 305 D CB -0.390 40.356 40.800 -0.089 0.000 0.955 305 D HN 0.649 nan 8.370 nan 0.000 0.465 306 Y N 1.903 122.015 120.300 -0.313 0.000 2.145 306 Y HA -0.214 4.336 4.550 0.001 0.000 0.286 306 Y C 2.223 177.838 175.900 -0.474 0.000 1.145 306 Y CA 1.071 58.959 58.100 -0.353 0.000 1.148 306 Y CB -0.430 37.828 38.460 -0.337 0.000 0.981 306 Y HN -0.231 nan 8.280 nan 0.000 0.507 307 V N 0.746 120.248 119.914 -0.686 0.000 2.407 307 V HA -0.306 3.815 4.120 0.001 0.000 0.248 307 V C 2.261 178.098 176.094 -0.427 0.000 1.055 307 V CA 1.987 63.877 62.300 -0.683 0.000 1.049 307 V CB -0.723 30.709 31.823 -0.652 0.000 0.662 307 V HN 0.440 nan 8.190 nan 0.000 0.455 308 L N 0.077 121.115 121.223 -0.310 0.000 2.599 308 L HA 0.254 4.594 4.340 0.001 0.000 0.230 308 L C 1.831 178.584 176.870 -0.195 0.000 1.141 308 L CA 0.898 55.666 54.840 -0.119 0.000 0.877 308 L CB -0.421 41.553 42.059 -0.142 0.000 1.009 308 L HN 0.548 nan 8.230 nan 0.000 0.447 309 G N -0.201 108.370 108.800 -0.383 0.000 2.194 309 G HA2 -0.298 3.662 3.960 0.001 0.000 0.236 309 G HA3 -0.298 3.662 3.960 0.001 0.000 0.236 309 G C 1.069 175.812 174.900 -0.262 0.000 0.987 309 G CA 0.385 45.256 45.100 -0.382 0.000 0.635 309 G HN 0.339 nan 8.290 nan 0.000 0.520 310 K N 0.160 120.438 120.400 -0.204 0.000 2.103 310 K HA -0.088 4.233 4.320 0.001 0.000 0.207 310 K C 2.731 179.270 176.600 -0.103 0.000 1.048 310 K CA 2.023 58.232 56.287 -0.131 0.000 0.930 310 K CB -0.268 32.170 32.500 -0.103 0.000 0.716 310 K HN 0.657 nan 8.250 nan 0.000 0.444 311 T N -0.968 113.526 114.554 -0.100 0.000 3.044 311 T HA -0.035 4.315 4.350 0.001 0.000 0.255 311 T C 1.300 175.979 174.700 -0.035 0.000 1.073 311 T CA 0.864 62.945 62.100 -0.031 0.000 1.125 311 T CB 0.049 68.948 68.868 0.053 0.000 0.908 311 T HN 0.195 nan 8.240 nan 0.000 0.480 312 D N 0.339 120.676 120.400 -0.105 0.000 2.441 312 D HA 0.254 4.895 4.640 0.001 0.000 0.210 312 D C 1.566 177.781 176.300 -0.143 0.000 1.102 312 D CA 0.411 54.351 54.000 -0.100 0.000 0.840 312 D CB -0.534 40.205 40.800 -0.101 0.000 0.990 312 D HN 0.561 nan 8.370 nan 0.000 0.505 313 G N -0.105 108.590 108.800 -0.175 0.000 2.160 313 G HA2 -0.211 3.749 3.960 0.001 0.000 0.251 313 G HA3 -0.211 3.749 3.960 0.001 0.000 0.251 313 G C 0.010 174.781 174.900 -0.216 0.000 1.008 313 G CA 0.484 45.487 45.100 -0.161 0.000 0.724 313 G HN 0.464 nan 8.290 nan 0.000 0.514 314 T N 1.171 115.524 114.554 -0.335 0.000 3.089 314 T HA 0.483 4.834 4.350 0.001 0.000 0.340 314 T C -2.806 171.491 174.700 -0.671 0.000 1.008 314 T CA -0.902 60.928 62.100 -0.451 0.000 1.096 314 T CB 2.810 71.402 68.868 -0.461 0.000 1.024 314 T HN 0.045 nan 8.240 nan 0.000 0.477 315 P HA 0.147 nan 4.420 nan 0.000 0.268 315 P C 0.062 176.752 177.300 -1.015 0.000 1.204 315 P CA -0.506 62.206 63.100 -0.648 0.000 0.768 315 P CB 0.529 31.970 31.700 -0.432 0.000 0.842 316 K N 2.229 121.949 120.400 -1.134 0.000 3.006 316 K HA 0.106 4.426 4.320 0.001 0.000 0.265 316 K C 0.666 176.743 176.600 -0.871 0.000 1.279 316 K CA 0.139 55.730 56.287 -1.160 0.000 1.229 316 K CB -1.248 30.742 32.500 -0.850 0.000 1.555 316 K HN 0.505 nan 8.250 nan 0.000 0.300 317 T N -3.327 110.698 114.554 -0.881 0.000 2.766 317 T HA 0.012 4.363 4.350 0.001 0.000 0.295 317 T C 1.623 176.263 174.700 -0.099 0.000 1.024 317 T CA -0.479 61.255 62.100 -0.610 0.000 1.018 317 T CB 0.787 69.421 68.868 -0.391 0.000 1.002 317 T HN 0.375 nan 8.240 nan 0.000 0.532 318 C N 0.767 120.047 119.300 -0.033 0.000 2.446 318 C HA 0.064 4.524 4.460 0.001 0.000 0.279 318 C C 2.773 177.751 174.990 -0.019 0.000 1.366 318 C CA 0.310 59.333 59.018 0.008 0.000 1.763 318 C CB -1.465 26.284 27.740 0.014 0.000 1.929 318 C HN 0.967 nan 8.230 nan 0.000 0.509 319 E N -0.082 120.107 120.200 -0.018 0.000 2.077 319 E HA -0.204 4.147 4.350 0.001 0.000 0.193 319 E C 1.647 178.237 176.600 -0.016 0.000 0.989 319 E CA 1.167 57.551 56.400 -0.027 0.000 0.800 319 E CB -0.342 29.345 29.700 -0.022 0.000 0.746 319 E HN 0.853 nan 8.360 nan 0.000 0.452 320 W N 1.088 122.272 121.300 -0.195 0.000 2.388 320 W HA -0.073 4.588 4.660 0.001 0.000 0.294 320 W C 2.141 178.539 176.519 -0.201 0.000 1.212 320 W CA 1.924 59.141 57.345 -0.214 0.000 1.271 320 W CB -0.309 28.974 29.460 -0.295 0.000 1.126 320 W HN 0.038 nan 8.180 nan 0.000 0.535 321 A N 0.071 122.763 122.820 -0.214 0.000 1.969 321 A HA -0.210 4.111 4.320 0.001 0.000 0.218 321 A C 1.988 179.363 177.584 -0.348 0.000 1.169 321 A CA 1.794 53.574 52.037 -0.428 0.000 0.635 321 A CB -0.923 18.019 19.000 -0.096 0.000 0.810 321 A HN 0.548 nan 8.150 nan 0.000 0.445 322 E N -0.337 119.722 120.200 -0.234 0.000 2.152 322 E HA -0.194 4.157 4.350 0.001 0.000 0.192 322 E C 1.907 178.376 176.600 -0.218 0.000 0.983 322 E CA 1.036 57.315 56.400 -0.202 0.000 0.818 322 E CB -0.111 29.499 29.700 -0.150 0.000 0.758 322 E HN 0.745 nan 8.360 nan 0.000 0.467 323 E N -0.227 119.821 120.200 -0.253 0.000 2.204 323 E HA -0.171 4.180 4.350 0.001 0.000 0.194 323 E C 1.651 178.081 176.600 -0.283 0.000 0.989 323 E CA 0.734 56.993 56.400 -0.234 0.000 0.824 323 E CB 0.293 29.866 29.700 -0.212 0.000 0.756 323 E HN 0.221 nan 8.360 nan 0.000 0.477 324 E N -0.236 119.718 120.200 -0.410 0.000 2.057 324 E HA -0.070 4.281 4.350 0.001 0.000 0.190 324 E C 2.230 178.708 176.600 -0.203 0.000 0.969 324 E CA 1.230 57.422 56.400 -0.348 0.000 0.812 324 E CB -0.157 29.192 29.700 -0.585 0.000 0.777 324 E HN 0.219 nan 8.360 nan 0.000 0.455 325 S N -0.946 114.631 115.700 -0.205 0.000 2.439 325 S HA 0.132 4.603 4.470 0.001 0.000 0.224 325 S C 1.719 176.242 174.600 -0.128 0.000 1.029 325 S CA 1.192 59.319 58.200 -0.122 0.000 0.946 325 S CB 0.425 63.569 63.200 -0.094 0.000 0.797 325 S HN 0.339 nan 8.310 nan 0.000 0.504 326 G N 0.257 108.963 108.800 -0.157 0.000 2.194 326 G HA2 -0.213 3.747 3.960 0.001 0.000 0.236 326 G HA3 -0.213 3.747 3.960 0.001 0.000 0.236 326 G C 0.035 174.827 174.900 -0.181 0.000 0.987 326 G CA -0.039 44.973 45.100 -0.148 0.000 0.635 326 G HN 0.754 nan 8.290 nan 0.000 0.520 327 V N 2.606 122.390 119.914 -0.216 0.000 2.488 327 V HA 0.381 4.501 4.120 0.001 0.000 0.277 327 V C -1.475 174.442 176.094 -0.295 0.000 1.046 327 V CA -1.292 60.822 62.300 -0.310 0.000 0.986 327 V CB 1.160 32.749 31.823 -0.390 0.000 0.989 327 V HN 0.121 nan 8.190 nan 0.000 0.475 328 P HA -0.039 nan 4.420 nan 0.000 0.260 328 P C 0.664 177.838 177.300 -0.210 0.000 1.172 328 P CA 0.532 63.502 63.100 -0.217 0.000 0.760 328 P CB 0.588 32.170 31.700 -0.198 0.000 0.773 329 A N 4.086 126.822 122.820 -0.139 0.000 1.908 329 A HA -0.271 4.049 4.320 0.001 0.000 0.218 329 A C 2.204 179.744 177.584 -0.072 0.000 1.181 329 A CA 2.115 54.094 52.037 -0.098 0.000 0.627 329 A CB -1.806 17.156 19.000 -0.064 0.000 0.818 329 A HN 0.753 nan 8.150 nan 0.000 0.445 330 C N -0.750 118.513 119.300 -0.061 0.000 2.422 330 C HA -0.056 4.405 4.460 0.001 0.000 0.279 330 C C 2.225 177.203 174.990 -0.020 0.000 1.305 330 C CA 1.028 60.032 59.018 -0.024 0.000 1.757 330 C CB -1.545 26.187 27.740 -0.015 0.000 1.962 330 C HN 0.656 nan 8.230 nan 0.000 0.499 331 E N 1.294 121.437 120.200 -0.094 0.000 2.107 331 E HA -0.038 4.312 4.350 0.001 0.000 0.191 331 E C 2.138 178.711 176.600 -0.045 0.000 0.982 331 E CA 1.239 57.583 56.400 -0.093 0.000 0.809 331 E CB -0.182 29.324 29.700 -0.324 0.000 0.756 331 E HN 0.730 nan 8.360 nan 0.000 0.459 332 I N 0.888 121.378 120.570 -0.135 0.000 2.179 332 I HA -0.261 3.910 4.170 0.001 0.000 0.242 332 I C 2.746 178.928 176.117 0.108 0.000 1.088 332 I CA 1.050 62.349 61.300 -0.003 0.000 1.357 332 I CB -0.281 37.693 38.000 -0.043 0.000 1.051 332 I HN 0.012 nan 8.210 nan 0.000 0.409 333 R N 1.244 121.791 120.500 0.078 0.000 2.096 333 R HA -0.155 4.185 4.340 0.001 0.000 0.235 333 R C 2.391 178.788 176.300 0.161 0.000 1.127 333 R CA 1.474 57.641 56.100 0.112 0.000 0.968 333 R CB -0.205 30.148 30.300 0.089 0.000 0.861 333 R HN 0.365 nan 8.270 nan 0.000 0.440 334 A N 0.973 123.887 122.820 0.157 0.000 1.902 334 A HA -0.166 4.154 4.320 0.001 0.000 0.217 334 A C 1.983 179.720 177.584 0.256 0.000 1.181 334 A CA 1.217 53.366 52.037 0.186 0.000 0.623 334 A CB -0.544 18.555 19.000 0.166 0.000 0.818 334 A HN 0.381 nan 8.150 nan 0.000 0.443 335 L N -0.237 121.174 121.223 0.313 0.000 2.027 335 L HA 0.009 4.349 4.340 0.001 0.000 0.206 335 L C 2.656 179.822 176.870 0.493 0.000 1.074 335 L CA 2.193 57.268 54.840 0.393 0.000 0.745 335 L CB -1.056 41.283 42.059 0.466 0.000 0.898 335 L HN 0.334 nan 8.230 nan 0.000 0.433 336 A N -0.132 122.935 122.820 0.411 0.000 1.873 336 A HA -0.273 4.048 4.320 0.001 0.000 0.218 336 A C 2.446 180.426 177.584 0.659 0.000 1.193 336 A CA 2.189 54.487 52.037 0.435 0.000 0.629 336 A CB -0.641 18.404 19.000 0.073 0.000 0.826 336 A HN 0.527 nan 8.150 nan 0.000 0.447 337 R N -1.427 119.333 120.500 0.434 0.000 2.096 337 R HA -0.150 4.190 4.340 0.001 0.000 0.235 337 R C 2.511 179.011 176.300 0.333 0.000 1.127 337 R CA 1.584 57.901 56.100 0.362 0.000 0.968 337 R CB -0.246 30.201 30.300 0.245 0.000 0.861 337 R HN 0.629 nan 8.270 nan 0.000 0.440 338 Q N -0.043 119.958 119.800 0.335 0.000 2.079 338 Q HA -0.173 4.167 4.340 0.001 0.000 0.200 338 Q C 1.609 177.822 176.000 0.356 0.000 0.974 338 Q CA 1.367 57.338 55.803 0.281 0.000 0.840 338 Q CB -0.283 28.598 28.738 0.239 0.000 0.898 338 Q HN 0.383 nan 8.270 nan 0.000 0.430 339 W N 0.515 121.976 121.300 0.267 0.000 2.335 339 W HA -0.157 4.503 4.660 0.001 0.000 0.311 339 W C 1.974 178.586 176.519 0.156 0.000 1.213 339 W CA 2.254 59.774 57.345 0.292 0.000 1.274 339 W CB -0.961 28.823 29.460 0.539 0.000 1.148 339 W HN 0.281 nan 8.180 nan 0.000 0.498 340 A N 0.808 123.873 122.820 0.409 0.000 1.969 340 A HA -0.207 4.113 4.320 0.001 0.000 0.218 340 A C 1.990 179.580 177.584 0.011 0.000 1.169 340 A CA 2.214 54.221 52.037 -0.050 0.000 0.635 340 A CB -0.704 18.166 19.000 -0.216 0.000 0.810 340 A HN 0.498 nan 8.150 nan 0.000 0.445 341 K N -1.779 118.685 120.400 0.106 0.000 2.367 341 K HA 0.186 4.506 4.320 0.001 0.000 0.194 341 K C 0.071 176.715 176.600 0.074 0.000 1.027 341 K CA -0.039 56.290 56.287 0.069 0.000 1.075 341 K CB 0.324 32.873 32.500 0.081 0.000 0.845 341 K HN 0.025 nan 8.250 nan 0.000 0.529 342 K N 1.387 121.851 120.400 0.107 0.000 2.238 342 K HA 0.261 4.582 4.320 0.001 0.000 0.239 342 K C -0.790 175.855 176.600 0.075 0.000 0.987 342 K CA -0.952 55.391 56.287 0.093 0.000 0.857 342 K CB 1.119 33.684 32.500 0.107 0.000 1.154 342 K HN -0.066 nan 8.250 nan 0.000 0.439 343 N N 1.443 120.184 118.700 0.068 0.000 2.402 343 N HA 0.100 4.840 4.740 0.001 0.000 0.259 343 N C -0.922 174.609 175.510 0.037 0.000 1.167 343 N CA 0.338 53.408 53.050 0.033 0.000 0.949 343 N CB 0.274 38.822 38.487 0.103 0.000 1.212 343 N HN 0.262 nan 8.380 nan 0.000 0.493 344 T N 2.782 117.311 114.554 -0.041 0.000 2.779 344 T HA 0.321 4.672 4.350 0.001 0.000 0.280 344 T C -0.372 174.219 174.700 -0.182 0.000 0.987 344 T CA -0.348 61.696 62.100 -0.093 0.000 0.966 344 T CB 0.400 69.115 68.868 -0.255 0.000 0.933 344 T HN 0.186 nan 8.240 nan 0.000 0.442 345 Y N 2.290 122.560 120.300 -0.051 0.000 2.320 345 Y HA 0.503 5.054 4.550 0.001 0.000 0.334 345 Y C 0.068 175.888 175.900 -0.133 0.000 1.055 345 Y CA -1.275 56.832 58.100 0.012 0.000 1.143 345 Y CB 0.969 39.516 38.460 0.146 0.000 1.193 345 Y HN 0.397 nan 8.280 nan 0.000 0.477 346 L N 4.137 125.423 121.223 0.104 0.000 2.261 346 L HA 0.609 4.949 4.340 0.001 0.000 0.289 346 L C -0.029 176.853 176.870 0.020 0.000 1.059 346 L CA -0.641 54.239 54.840 0.067 0.000 0.816 346 L CB 0.122 42.365 42.059 0.307 0.000 1.191 346 L HN 0.678 nan 8.230 nan 0.000 0.431 347 A N 5.598 128.316 122.820 -0.169 0.000 2.923 347 A HA 0.716 5.036 4.320 0.001 0.000 0.306 347 A C 0.397 178.014 177.584 0.054 0.000 1.542 347 A CA -0.060 51.837 52.037 -0.234 0.000 1.225 347 A CB -0.600 17.933 19.000 -0.777 0.000 1.147 347 A HN 0.953 nan 8.150 nan 0.000 0.542 348 A N 1.957 124.875 122.820 0.163 0.000 2.302 348 A HA 0.655 4.975 4.320 0.001 0.000 0.295 348 A C 1.046 178.861 177.584 0.384 0.000 1.235 348 A CA 0.486 52.750 52.037 0.378 0.000 0.876 348 A CB -0.576 18.607 19.000 0.305 0.000 1.133 348 A HN 2.585 nan 8.150 nan 0.000 0.533 349 G N 1.572 110.680 108.800 0.514 0.000 2.860 349 G HA2 0.153 4.113 3.960 0.001 0.000 0.553 349 G HA3 0.153 4.113 3.960 0.001 0.000 0.553 349 G C 0.868 175.883 174.900 0.192 0.000 1.439 349 G CA -0.075 45.247 45.100 0.371 0.000 0.879 349 G HN 1.758 nan 8.290 nan 0.000 0.545 350 G N -1.130 107.757 108.800 0.145 0.000 2.712 350 G HA2 0.327 4.287 3.960 0.001 0.000 0.212 350 G HA3 0.327 4.287 3.960 0.001 0.000 0.212 350 G C 1.615 176.505 174.900 -0.016 0.000 1.142 350 G CA 1.584 46.725 45.100 0.068 0.000 0.789 350 G HN 1.260 nan 8.290 nan 0.000 0.535 351 L N -0.355 120.834 121.223 -0.057 0.000 2.470 351 L HA 0.509 4.850 4.340 0.001 0.000 0.219 351 L C 1.146 177.839 176.870 -0.296 0.000 1.071 351 L CA 1.390 56.086 54.840 -0.240 0.000 0.850 351 L CB 0.437 42.169 42.059 -0.544 0.000 1.040 351 L HN 0.264 nan 8.230 nan 0.000 0.475 352 G N -0.638 108.006 108.800 -0.260 0.000 3.002 352 G HA2 0.415 4.376 3.960 0.001 0.000 0.224 352 G HA3 0.415 4.376 3.960 0.001 0.000 0.224 352 G C 0.251 174.873 174.900 -0.464 0.000 1.013 352 G CA -0.288 44.658 45.100 -0.258 0.000 1.200 352 G HN 1.111 nan 8.290 nan 0.000 0.589 353 G N -0.300 108.209 108.800 -0.485 0.000 2.331 353 G HA2 0.479 4.440 3.960 0.001 0.000 0.479 353 G HA3 0.479 4.440 3.960 0.001 0.000 0.479 353 G C 0.303 174.977 174.900 -0.377 0.000 1.262 353 G CA 0.478 44.968 45.100 -1.017 0.000 1.029 353 G HN 1.929 nan 8.290 nan 0.000 0.487 354 W N -1.723 119.235 121.300 -0.570 0.000 2.962 354 W HA 0.328 4.988 4.660 0.001 0.000 0.227 354 W C 1.259 178.001 176.519 0.371 0.000 0.611 354 W CA 2.260 59.574 57.345 -0.052 0.000 0.492 354 W CB -1.465 27.855 29.460 -0.233 0.000 2.512 354 W HN 2.989 nan 8.180 nan 0.000 0.399 355 G N -1.197 107.834 108.800 0.386 0.000 3.069 355 G HA2 0.475 4.436 3.960 0.001 0.000 0.686 355 G HA3 0.475 4.436 3.960 0.001 0.000 0.686 355 G C 0.443 175.343 174.900 0.001 0.000 1.161 355 G CA 0.515 45.742 45.100 0.212 0.000 0.804 355 G HN 1.769 nan 8.290 nan 0.000 0.608 356 G N 0.680 109.419 108.800 -0.101 0.000 2.485 356 G HA2 0.163 4.123 3.960 0.001 0.000 0.221 356 G HA3 0.163 4.123 3.960 0.001 0.000 0.221 356 G C 2.050 176.855 174.900 -0.158 0.000 1.115 356 G CA 2.576 47.610 45.100 -0.109 0.000 0.751 356 G HN 2.068 nan 8.290 nan 0.000 0.567 357 A N 0.404 122.986 122.820 -0.396 0.000 2.019 357 A HA -0.102 4.218 4.320 0.001 0.000 0.219 357 A C 2.683 180.001 177.584 -0.444 0.000 1.164 357 A CA 1.965 53.622 52.037 -0.633 0.000 0.644 357 A CB -1.040 17.015 19.000 -1.575 0.000 0.805 357 A HN 0.971 nan 8.150 nan 0.000 0.449 358 C N 0.223 119.447 119.300 -0.127 0.000 2.435 358 C HA 0.064 4.525 4.460 0.001 0.000 0.279 358 C C 1.660 176.699 174.990 0.081 0.000 1.321 358 C CA 0.442 59.554 59.018 0.157 0.000 1.752 358 C CB -1.271 26.743 27.740 0.456 0.000 1.959 358 C HN 0.619 nan 8.230 nan 0.000 0.500 359 R N 1.442 121.977 120.500 0.058 0.000 3.436 359 R HA 0.711 5.051 4.340 0.001 0.000 0.247 359 R C -0.391 175.924 176.300 0.025 0.000 1.434 359 R CA 0.440 56.583 56.100 0.072 0.000 1.543 359 R CB 0.011 30.361 30.300 0.083 0.000 1.289 359 R HN 0.538 nan 8.270 nan 0.000 0.664 360 A N 0.775 123.595 122.820 -0.001 0.000 2.602 360 A HA 0.362 4.683 4.320 0.001 0.000 0.290 360 A C 0.631 178.162 177.584 -0.088 0.000 1.114 360 A CA -0.482 51.545 52.037 -0.016 0.000 0.683 360 A CB 1.231 20.299 19.000 0.115 0.000 1.281 360 A HN 0.457 nan 8.150 nan 0.000 0.416 361 S N 0.181 115.685 115.700 -0.327 0.000 2.469 361 S HA -0.179 4.292 4.470 0.001 0.000 0.238 361 S C 1.001 175.427 174.600 -0.289 0.000 0.998 361 S CA 1.827 59.587 58.200 -0.732 0.000 0.957 361 S CB -0.553 61.595 63.200 -1.754 0.000 0.764 361 S HN 1.179 nan 8.310 nan 0.000 0.514 362 H N -0.835 118.058 119.070 -0.295 0.000 2.674 362 H HA 0.466 5.022 4.556 0.001 0.000 0.274 362 H C 1.513 176.736 175.328 -0.176 0.000 1.121 362 H CA -0.073 55.809 56.048 -0.277 0.000 1.132 362 H CB -0.888 28.645 29.762 -0.382 0.000 1.606 362 H HN 0.308 nan 8.280 nan 0.000 0.558 363 G N 1.749 110.377 108.800 -0.287 0.000 2.469 363 G HA2 -0.217 3.744 3.960 0.001 0.000 0.220 363 G HA3 -0.217 3.744 3.960 0.001 0.000 0.220 363 G C 1.646 176.453 174.900 -0.155 0.000 1.136 363 G CA 1.018 45.979 45.100 -0.231 0.000 0.759 363 G HN 0.416 nan 8.290 nan 0.000 0.562 364 I N 0.438 120.963 120.570 -0.075 0.000 2.179 364 I HA -0.110 4.061 4.170 0.001 0.000 0.242 364 I C 2.628 178.639 176.117 -0.176 0.000 1.088 364 I CA 1.067 62.332 61.300 -0.058 0.000 1.357 364 I CB -0.108 37.937 38.000 0.075 0.000 1.051 364 I HN 0.100 nan 8.210 nan 0.000 0.409 365 E N -0.249 119.872 120.200 -0.131 0.000 2.208 365 E HA -0.228 4.122 4.350 0.001 0.000 0.193 365 E C 1.616 178.093 176.600 -0.205 0.000 0.988 365 E CA 0.810 57.167 56.400 -0.070 0.000 0.828 365 E CB -0.426 29.373 29.700 0.164 0.000 0.763 365 E HN 0.584 nan 8.360 nan 0.000 0.478 366 W N 2.090 123.113 121.300 -0.462 0.000 2.354 366 W HA -0.143 4.517 4.660 0.001 0.000 0.315 366 W C 2.386 178.497 176.519 -0.679 0.000 1.206 366 W CA 2.417 59.466 57.345 -0.494 0.000 1.290 366 W CB -0.578 28.524 29.460 -0.597 0.000 1.152 366 W HN 0.041 nan 8.180 nan 0.000 0.489 367 A N 0.832 123.006 122.820 -1.076 0.000 1.883 367 A HA -0.201 4.119 4.320 0.001 0.000 0.217 367 A C 2.095 178.855 177.584 -1.373 0.000 1.186 367 A CA 1.896 52.868 52.037 -1.776 0.000 0.624 367 A CB -0.866 17.064 19.000 -1.782 0.000 0.822 367 A HN 0.391 nan 8.150 nan 0.000 0.444 368 R N -0.969 118.920 120.500 -1.019 0.000 2.152 368 R HA -0.111 4.230 4.340 0.001 0.000 0.232 368 R C 2.266 177.857 176.300 -1.181 0.000 1.117 368 R CA 0.997 56.462 56.100 -1.059 0.000 0.981 368 R CB -0.479 29.224 30.300 -0.997 0.000 0.870 368 R HN 0.564 nan 8.270 nan 0.000 0.451 369 G N 0.517 108.705 108.800 -1.020 0.000 2.403 369 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 369 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 369 G C 1.415 175.916 174.900 -0.666 0.000 1.154 369 G CA 0.143 44.856 45.100 -0.645 0.000 0.784 369 G HN 0.053 nan 8.290 nan 0.000 0.538 370 M N 0.461 119.495 119.600 -0.942 0.000 2.175 370 M HA 0.124 4.605 4.480 0.001 0.000 0.264 370 M C 2.569 178.580 176.300 -0.481 0.000 1.063 370 M CA 0.839 55.705 55.300 -0.724 0.000 1.119 370 M CB -0.915 31.161 32.600 -0.873 0.000 1.377 370 M HN 0.231 nan 8.290 nan 0.000 0.415 371 I N 0.066 120.221 120.570 -0.692 0.000 2.252 371 I HA -0.221 3.949 4.170 0.001 0.000 0.245 371 I C 2.656 178.509 176.117 -0.441 0.000 1.102 371 I CA 1.007 61.897 61.300 -0.683 0.000 1.385 371 I CB -0.671 36.664 38.000 -1.108 0.000 1.064 371 I HN 0.190 nan 8.210 nan 0.000 0.414 372 A N 1.143 123.665 122.820 -0.497 0.000 1.851 372 A HA -0.205 4.115 4.320 0.001 0.000 0.216 372 A C 2.166 179.785 177.584 0.059 0.000 1.195 372 A CA 1.631 53.510 52.037 -0.264 0.000 0.622 372 A CB -0.896 17.971 19.000 -0.221 0.000 0.831 372 A HN 0.270 nan 8.150 nan 0.000 0.444 373 L N -0.330 120.903 121.223 0.016 0.000 2.012 373 L HA -0.169 4.171 4.340 0.001 0.000 0.210 373 L C 3.003 180.000 176.870 0.212 0.000 1.073 373 L CA 2.107 57.033 54.840 0.143 0.000 0.748 373 L CB -1.100 40.909 42.059 -0.084 0.000 0.891 373 L HN 0.422 nan 8.230 nan 0.000 0.431 374 A N -1.908 121.002 122.820 0.150 0.000 2.015 374 A HA -0.170 4.150 4.320 0.001 0.000 0.219 374 A C 2.330 179.986 177.584 0.120 0.000 1.163 374 A CA 2.080 54.226 52.037 0.181 0.000 0.646 374 A CB -0.834 18.270 19.000 0.173 0.000 0.806 374 A HN 0.460 nan 8.150 nan 0.000 0.448 375 T N 0.004 114.649 114.554 0.151 0.000 2.770 375 T HA -0.092 4.259 4.350 0.001 0.000 0.263 375 T C 1.913 176.710 174.700 0.161 0.000 1.039 375 T CA 1.624 63.875 62.100 0.252 0.000 1.142 375 T CB -0.303 68.768 68.868 0.339 0.000 0.868 375 T HN 0.443 nan 8.240 nan 0.000 0.435 376 M N 0.970 120.675 119.600 0.176 0.000 2.267 376 M HA -0.074 4.406 4.480 0.001 0.000 0.263 376 M C 1.744 178.024 176.300 -0.034 0.000 1.063 376 M CA 1.197 56.570 55.300 0.121 0.000 1.090 376 M CB -0.196 32.522 32.600 0.196 0.000 1.392 376 M HN 0.077 nan 8.290 nan 0.000 0.422 377 Q N -0.044 119.660 119.800 -0.160 0.000 2.246 377 Q HA 0.187 4.528 4.340 0.001 0.000 0.202 377 Q C 0.668 176.443 176.000 -0.375 0.000 0.883 377 Q CA 0.385 56.025 55.803 -0.271 0.000 0.952 377 Q CB 0.364 28.986 28.738 -0.193 0.000 1.078 377 Q HN 0.651 nan 8.270 nan 0.000 0.493 378 G N 2.860 111.244 108.800 -0.693 0.000 2.333 378 G HA2 -0.293 3.667 3.960 0.001 0.000 0.296 378 G HA3 -0.293 3.667 3.960 0.001 0.000 0.296 378 G C 0.294 174.661 174.900 -0.888 0.000 1.059 378 G CA 0.505 44.703 45.100 -1.503 0.000 1.050 378 G HN 0.478 nan 8.290 nan 0.000 0.508 379 M N -0.980 118.328 119.600 -0.487 0.000 2.248 379 M HA 0.448 4.928 4.480 0.001 0.000 0.343 379 M C 1.445 177.753 176.300 0.013 0.000 1.243 379 M CA 1.391 56.631 55.300 -0.100 0.000 1.025 379 M CB 0.723 33.390 32.600 0.113 0.000 1.759 379 M HN 1.614 nan 8.290 nan 0.000 0.452 380 G N 2.431 111.231 108.800 0.001 0.000 2.352 380 G HA2 -0.205 3.755 3.960 0.001 0.000 0.204 380 G HA3 -0.205 3.755 3.960 0.001 0.000 0.204 380 G C -0.046 174.847 174.900 -0.012 0.000 1.004 380 G CA 0.055 45.173 45.100 0.029 0.000 0.648 380 G HN 1.014 nan 8.290 nan 0.000 0.491 381 K N 1.185 121.546 120.400 -0.066 0.000 2.098 381 K HA 0.626 4.946 4.320 0.001 0.000 0.257 381 K C -2.869 173.651 176.600 -0.134 0.000 0.999 381 K CA -1.808 54.426 56.287 -0.087 0.000 0.924 381 K CB 1.302 33.739 32.500 -0.104 0.000 1.028 381 K HN 0.028 nan 8.250 nan 0.000 0.466 382 P HA -0.064 nan 4.420 nan 0.000 0.262 382 P C 0.529 177.644 177.300 -0.309 0.000 1.182 382 P CA 1.429 64.328 63.100 -0.335 0.000 0.761 382 P CB 0.484 31.826 31.700 -0.597 0.000 0.795 383 G N 1.599 110.311 108.800 -0.147 0.000 2.205 383 G HA2 -0.230 3.730 3.960 0.001 0.000 0.261 383 G HA3 -0.230 3.730 3.960 0.001 0.000 0.261 383 G C 0.299 174.933 174.900 -0.444 0.000 0.980 383 G CA 0.301 45.349 45.100 -0.088 0.000 0.632 383 G HN 0.806 nan 8.290 nan 0.000 0.533 384 S N -0.038 115.381 115.700 -0.468 0.000 2.614 384 S HA 0.721 5.192 4.470 0.001 0.000 0.288 384 S C -0.710 173.667 174.600 -0.371 0.000 1.137 384 S CA 0.156 58.074 58.200 -0.471 0.000 0.992 384 S CB 1.560 64.598 63.200 -0.271 0.000 1.026 384 S HN 0.795 nan 8.310 nan 0.000 0.486 385 N N 2.325 120.830 118.700 -0.326 0.000 3.514 385 N HA 0.216 4.956 4.740 0.001 0.000 0.268 385 N C -2.004 173.594 175.510 0.147 0.000 1.391 385 N CA -0.488 52.552 53.050 -0.018 0.000 0.821 385 N CB 1.038 39.591 38.487 0.109 0.000 1.563 385 N HN 0.675 nan 8.380 nan 0.000 0.426 386 M N 1.456 121.188 119.600 0.220 0.000 2.101 386 M HA 0.445 4.926 4.480 0.001 0.000 0.340 386 M C -1.717 174.773 176.300 0.317 0.000 1.057 386 M CA -0.520 54.922 55.300 0.237 0.000 0.984 386 M CB 0.838 33.557 32.600 0.199 0.000 1.560 386 M HN 0.536 nan 8.290 nan 0.000 0.435 387 W N 2.938 124.279 121.300 0.068 0.000 3.425 387 W HA 0.387 5.047 4.660 0.001 0.000 0.318 387 W C -1.102 175.350 176.519 -0.110 0.000 1.201 387 W CA -0.542 56.793 57.345 -0.018 0.000 1.212 387 W CB 1.602 31.071 29.460 0.015 0.000 1.355 387 W HN 0.505 nan 8.180 nan 0.000 0.515 388 S N 1.920 117.311 115.700 -0.515 0.000 2.540 388 S HA 0.049 4.519 4.470 0.001 0.000 0.218 388 S C 1.345 175.441 174.600 -0.840 0.000 0.977 388 S CA 0.845 58.703 58.200 -0.570 0.000 0.918 388 S CB 0.119 63.168 63.200 -0.252 0.000 0.806 388 S HN 1.085 nan 8.310 nan 0.000 0.496 389 T N -0.848 112.642 114.554 -1.773 0.000 6.974 389 T HA -0.288 4.063 4.350 0.001 0.000 0.287 389 T C 1.184 175.596 174.700 -0.480 0.000 2.146 389 T CA 2.133 63.331 62.100 -1.503 0.000 3.451 389 T CB -2.644 65.668 68.868 -0.927 0.000 1.630 389 T HN 0.556 nan 8.240 nan 0.000 1.173 390 T N -1.978 112.381 114.554 -0.326 0.000 3.031 390 T HA 0.332 4.682 4.350 0.001 0.000 0.254 390 T C 1.022 175.703 174.700 -0.031 0.000 1.060 390 T CA 0.531 62.551 62.100 -0.133 0.000 1.135 390 T CB 0.142 68.930 68.868 -0.133 0.000 0.896 390 T HN 0.811 nan 8.240 nan 0.000 0.472 391 Q N -0.001 119.819 119.800 0.032 0.000 2.527 391 Q HA 0.556 4.897 4.340 0.001 0.000 0.220 391 Q C 0.905 177.051 176.000 0.243 0.000 1.014 391 Q CA -0.433 55.407 55.803 0.061 0.000 0.978 391 Q CB 0.969 29.666 28.738 -0.069 0.000 1.245 391 Q HN 0.430 nan 8.270 nan 0.000 0.513 392 G N -0.659 108.188 108.800 0.079 0.000 2.175 392 G HA2 -0.235 3.725 3.960 0.001 0.000 0.244 392 G HA3 -0.235 3.725 3.960 0.001 0.000 0.244 392 G C 0.130 175.027 174.900 -0.006 0.000 0.982 392 G CA 0.101 45.218 45.100 0.027 0.000 0.641 392 G HN 0.334 nan 8.290 nan 0.000 0.527 393 V N 1.311 121.224 119.914 -0.002 0.000 2.901 393 V HA 0.242 4.363 4.120 0.001 0.000 0.307 393 V C -0.912 175.029 176.094 -0.255 0.000 1.084 393 V CA 0.017 62.214 62.300 -0.172 0.000 1.184 393 V CB 1.027 32.816 31.823 -0.056 0.000 0.941 393 V HN 0.136 nan 8.190 nan 0.000 0.493 394 P HA 0.205 nan 4.420 nan 0.000 0.249 394 P C -0.223 176.800 177.300 -0.463 0.000 1.686 394 P CA 0.126 62.894 63.100 -0.554 0.000 0.873 394 P CB -0.161 31.162 31.700 -0.627 0.000 1.828 395 L N -0.511 120.503 121.223 -0.348 0.000 2.466 395 L HA 0.240 4.580 4.340 0.001 0.000 0.257 395 L C 1.077 177.808 176.870 -0.233 0.000 1.189 395 L CA -0.631 54.148 54.840 -0.100 0.000 0.813 395 L CB 0.256 42.442 42.059 0.212 0.000 1.118 395 L HN -0.076 nan 8.230 nan 0.000 0.471 396 D N 0.118 120.521 120.400 0.005 0.000 2.398 396 D HA -0.011 4.629 4.640 0.001 0.000 0.250 396 D C 0.808 177.292 176.300 0.306 0.000 1.287 396 D CA 0.431 54.483 54.000 0.087 0.000 0.992 396 D CB 0.096 40.993 40.800 0.162 0.000 1.071 396 D HN 0.307 nan 8.370 nan 0.000 0.514 397 Y N 1.430 121.941 120.300 0.352 0.000 2.403 397 Y HA -0.141 4.410 4.550 0.001 0.000 0.291 397 Y C 1.974 178.097 175.900 0.371 0.000 1.143 397 Y CA 0.340 58.696 58.100 0.427 0.000 1.257 397 Y CB 0.281 38.934 38.460 0.322 0.000 0.984 397 Y HN 0.408 nan 8.280 nan 0.000 0.550 398 E N -0.130 120.331 120.200 0.434 0.000 2.285 398 E HA -0.105 4.246 4.350 0.001 0.000 0.194 398 E C 0.013 176.826 176.600 0.356 0.000 0.997 398 E CA -0.025 56.575 56.400 0.332 0.000 0.845 398 E CB 0.028 29.875 29.700 0.244 0.000 0.782 398 E HN 0.194 nan 8.360 nan 0.000 0.491 399 F N 1.244 121.356 119.950 0.271 0.000 2.467 399 F HA 0.143 4.670 4.527 0.001 0.000 0.362 399 F C -0.480 175.504 175.800 0.306 0.000 1.090 399 F CA -0.780 57.378 58.000 0.264 0.000 1.202 399 F CB 0.360 39.497 39.000 0.230 0.000 1.113 399 F HN -0.151 nan 8.300 nan 0.000 0.541 400 Y N 7.927 127.874 120.300 -0.589 0.000 2.328 400 Y HA 0.493 5.043 4.550 0.001 0.000 0.337 400 Y C -1.879 173.779 175.900 -0.403 0.000 1.008 400 Y CA -1.458 56.450 58.100 -0.321 0.000 1.129 400 Y CB 0.794 39.157 38.460 -0.161 0.000 1.185 400 Y HN 0.556 nan 8.280 nan 0.000 0.476 401 F N 8.711 128.096 119.950 -0.942 0.000 2.607 401 F HA 0.572 5.099 4.527 0.001 0.000 0.322 401 F C -2.741 172.602 175.800 -0.761 0.000 1.176 401 F CA -2.572 54.977 58.000 -0.752 0.000 0.977 401 F CB 1.699 40.578 39.000 -0.202 0.000 1.242 401 F HN 0.399 nan 8.300 nan 0.000 0.465 402 P HA 0.244 nan 4.420 nan 0.000 0.267 402 P C -0.335 176.767 177.300 -0.330 0.000 1.200 402 P CA 0.038 62.650 63.100 -0.815 0.000 0.772 402 P CB 0.736 31.624 31.700 -1.353 0.000 0.855 403 G N 0.689 109.366 108.800 -0.205 0.000 2.491 403 G HA2 0.327 4.288 3.960 0.001 0.000 0.327 403 G HA3 0.327 4.288 3.960 0.001 0.000 0.327 403 G C 0.147 174.853 174.900 -0.323 0.000 1.189 403 G CA -0.555 44.428 45.100 -0.195 0.000 0.956 403 G HN 0.557 nan 8.290 nan 0.000 0.491 404 Y N -1.100 118.968 120.300 -0.386 0.000 2.333 404 Y HA 0.081 4.631 4.550 0.001 0.000 0.290 404 Y C 2.377 177.974 175.900 -0.505 0.000 1.144 404 Y CA 1.023 58.789 58.100 -0.557 0.000 1.228 404 Y CB -0.707 37.050 38.460 -1.173 0.000 0.985 404 Y HN 0.349 nan 8.280 nan 0.000 0.542 405 A N 0.895 123.248 122.820 -0.779 0.000 2.172 405 A HA -0.088 4.232 4.320 0.001 0.000 0.216 405 A C 1.757 179.135 177.584 -0.343 0.000 1.154 405 A CA 1.011 52.588 52.037 -0.766 0.000 0.701 405 A CB -0.703 17.696 19.000 -1.002 0.000 0.789 405 A HN 0.646 nan 8.150 nan 0.000 0.465 406 E N -1.153 118.936 120.200 -0.185 0.000 2.463 406 E HA 0.253 4.603 4.350 0.001 0.000 0.191 406 E C 1.268 177.956 176.600 0.147 0.000 1.083 406 E CA 0.241 56.656 56.400 0.024 0.000 0.872 406 E CB -0.169 29.549 29.700 0.031 0.000 0.966 406 E HN 0.699 nan 8.360 nan 0.000 0.491 407 G N 0.513 109.411 108.800 0.163 0.000 2.241 407 G HA2 -0.370 3.590 3.960 0.001 0.000 0.244 407 G HA3 -0.370 3.590 3.960 0.001 0.000 0.244 407 G C 0.931 176.032 174.900 0.334 0.000 0.998 407 G CA -0.034 45.243 45.100 0.295 0.000 0.621 407 G HN 0.699 nan 8.290 nan 0.000 0.519 408 G N 0.840 109.850 108.800 0.351 0.000 2.685 408 G HA2 -0.289 3.671 3.960 0.001 0.000 0.329 408 G HA3 -0.289 3.671 3.960 0.001 0.000 0.329 408 G C 1.336 176.513 174.900 0.461 0.000 1.271 408 G CA 2.430 47.823 45.100 0.488 0.000 1.003 408 G HN 2.028 nan 8.290 nan 0.000 0.549 409 I N 0.060 120.754 120.570 0.207 0.000 3.749 409 I HA 0.379 4.549 4.170 0.001 0.000 0.314 409 I C 2.069 178.260 176.117 0.124 0.000 1.267 409 I CA 1.394 62.699 61.300 0.009 0.000 1.169 409 I CB 0.136 37.663 38.000 -0.789 0.000 1.009 409 I HN 0.468 nan 8.210 nan 0.000 0.444 410 S N 0.583 116.408 115.700 0.208 0.000 2.441 410 S HA 0.261 4.731 4.470 0.001 0.000 0.224 410 S C 1.897 176.516 174.600 0.031 0.000 1.043 410 S CA 0.578 58.857 58.200 0.133 0.000 0.948 410 S CB -0.296 63.021 63.200 0.195 0.000 0.810 410 S HN 0.712 nan 8.310 nan 0.000 0.504 411 G N 1.866 110.738 108.800 0.121 0.000 2.175 411 G HA2 -0.287 3.673 3.960 0.001 0.000 0.265 411 G HA3 -0.287 3.673 3.960 0.001 0.000 0.265 411 G C -0.125 174.688 174.900 -0.146 0.000 0.979 411 G CA 0.408 45.457 45.100 -0.085 0.000 0.663 411 G HN 0.676 nan 8.290 nan 0.000 0.533 412 D N 0.147 120.498 120.400 -0.080 0.000 2.356 412 D HA 0.213 4.854 4.640 0.001 0.000 0.272 412 D C 1.514 177.750 176.300 -0.108 0.000 1.337 412 D CA 0.151 54.061 54.000 -0.150 0.000 0.970 412 D CB -0.099 40.542 40.800 -0.266 0.000 1.092 412 D HN 0.209 nan 8.370 nan 0.000 0.516 413 C N 3.096 122.325 119.300 -0.119 0.000 2.500 413 C HA -0.015 4.445 4.460 0.001 0.000 0.273 413 C C 2.199 177.171 174.990 -0.030 0.000 1.428 413 C CA 0.040 59.020 59.018 -0.063 0.000 1.766 413 C CB -0.693 26.998 27.740 -0.081 0.000 1.817 413 C HN 0.731 nan 8.230 nan 0.000 0.543 414 E N 1.201 121.348 120.200 -0.088 0.000 2.166 414 E HA 0.003 4.354 4.350 0.001 0.000 0.192 414 E C 1.459 178.001 176.600 -0.097 0.000 0.967 414 E CA 0.910 57.258 56.400 -0.085 0.000 0.840 414 E CB -0.009 29.613 29.700 -0.130 0.000 0.795 414 E HN 0.528 nan 8.360 nan 0.000 0.470 415 N N 0.209 118.790 118.700 -0.199 0.000 2.234 415 N HA 0.090 4.831 4.740 0.001 0.000 0.227 415 N C -0.690 174.866 175.510 0.076 0.000 1.151 415 N CA 0.424 53.353 53.050 -0.200 0.000 0.865 415 N CB 1.315 39.381 38.487 -0.702 0.000 1.066 415 N HN 0.126 nan 8.380 nan 0.000 0.515 416 S N -1.264 114.517 115.700 0.134 0.000 2.671 416 S HA 0.622 5.093 4.470 0.001 0.000 0.277 416 S C -0.368 174.347 174.600 0.191 0.000 1.165 416 S CA -0.674 57.688 58.200 0.270 0.000 0.822 416 S CB 1.697 65.074 63.200 0.295 0.000 1.150 416 S HN -0.037 nan 8.310 nan 0.000 0.479 417 A N 0.134 123.054 122.820 0.168 0.000 2.476 417 A HA 0.696 5.017 4.320 0.001 0.000 0.263 417 A C 1.671 179.417 177.584 0.271 0.000 1.342 417 A CA 0.358 52.537 52.037 0.237 0.000 0.926 417 A CB -1.314 17.824 19.000 0.229 0.000 1.019 417 A HN 1.380 nan 8.150 nan 0.000 0.515 418 A N -0.292 122.643 122.820 0.192 0.000 2.019 418 A HA 0.097 4.417 4.320 0.001 0.000 0.219 418 A C 2.150 179.758 177.584 0.040 0.000 1.164 418 A CA 1.625 53.757 52.037 0.158 0.000 0.644 418 A CB -0.760 18.307 19.000 0.113 0.000 0.805 418 A HN 0.754 nan 8.150 nan 0.000 0.449 419 G N -1.836 107.006 108.800 0.069 0.000 2.509 419 G HA2 -0.113 3.847 3.960 0.001 0.000 0.218 419 G HA3 -0.113 3.847 3.960 0.001 0.000 0.218 419 G C 1.274 176.381 174.900 0.345 0.000 1.124 419 G CA 0.856 46.015 45.100 0.098 0.000 0.776 419 G HN 0.477 nan 8.290 nan 0.000 0.547 420 F N 0.492 120.506 119.950 0.105 0.000 2.113 420 F HA 0.132 4.660 4.527 0.001 0.000 0.297 420 F C 2.259 178.036 175.800 -0.038 0.000 1.103 420 F CA 2.111 60.067 58.000 -0.074 0.000 1.248 420 F CB 0.293 39.027 39.000 -0.443 0.000 0.999 420 F HN 0.169 nan 8.300 nan 0.000 0.475 421 K N -3.240 117.241 120.400 0.135 0.000 2.826 421 K HA -0.036 4.285 4.320 0.001 0.000 0.187 421 K C 1.747 178.435 176.600 0.148 0.000 1.662 421 K CA 0.101 56.430 56.287 0.071 0.000 1.307 421 K CB -0.839 31.507 32.500 -0.257 0.000 1.792 421 K HN 0.081 nan 8.250 nan 0.000 0.618 422 F N 2.702 122.675 119.950 0.039 0.000 2.075 422 F HA -0.005 4.523 4.527 0.001 0.000 0.297 422 F C 2.064 177.793 175.800 -0.119 0.000 1.113 422 F CA 2.028 60.026 58.000 -0.003 0.000 1.218 422 F CB -0.525 38.495 39.000 0.032 0.000 0.984 422 F HN 0.178 nan 8.300 nan 0.000 0.472 423 A N -0.170 122.489 122.820 -0.268 0.000 1.940 423 A HA -0.294 4.026 4.320 0.001 0.000 0.221 423 A C 2.109 179.406 177.584 -0.478 0.000 1.190 423 A CA 2.167 53.959 52.037 -0.409 0.000 0.647 423 A CB -1.897 16.673 19.000 -0.718 0.000 0.821 423 A HN 0.673 nan 8.150 nan 0.000 0.457 424 W N -0.851 120.379 121.300 -0.117 0.000 2.465 424 W HA -0.006 4.654 4.660 0.001 0.000 0.268 424 W C 2.494 178.875 176.519 -0.230 0.000 1.242 424 W CA 0.828 58.080 57.345 -0.155 0.000 1.248 424 W CB -0.082 29.268 29.460 -0.183 0.000 1.118 424 W HN 0.239 nan 8.180 nan 0.000 0.587 425 R N -0.888 119.483 120.500 -0.215 0.000 2.146 425 R HA 0.069 4.409 4.340 0.001 0.000 0.206 425 R C 2.023 178.010 176.300 -0.521 0.000 1.049 425 R CA 0.816 56.724 56.100 -0.319 0.000 1.029 425 R CB -0.540 29.577 30.300 -0.305 0.000 0.949 425 R HN 0.134 nan 8.270 nan 0.000 0.471 426 M N 0.278 119.344 119.600 -0.889 0.000 2.132 426 M HA 0.013 4.494 4.480 0.001 0.000 0.263 426 M C -0.304 175.384 176.300 -1.021 0.000 1.065 426 M CA 1.661 56.295 55.300 -1.111 0.000 1.122 426 M CB 0.257 31.913 32.600 -1.573 0.000 1.365 426 M HN -0.170 nan 8.290 nan 0.000 0.411 427 F N 0.057 119.816 119.950 -0.317 0.000 2.458 427 F HA 0.302 4.829 4.527 0.001 0.000 0.330 427 F C 0.742 176.404 175.800 -0.231 0.000 1.082 427 F CA -0.989 56.856 58.000 -0.259 0.000 0.995 427 F CB 0.861 39.715 39.000 -0.243 0.000 1.170 427 F HN 0.158 nan 8.300 nan 0.000 0.478 428 D N -0.934 119.398 120.400 -0.112 0.000 2.433 428 D HA 0.193 4.834 4.640 0.001 0.000 0.211 428 D C 1.573 177.793 176.300 -0.134 0.000 1.114 428 D CA 0.321 54.246 54.000 -0.125 0.000 0.837 428 D CB 0.352 41.058 40.800 -0.157 0.000 0.984 428 D HN 0.780 nan 8.370 nan 0.000 0.505 429 G N 0.533 109.202 108.800 -0.218 0.000 2.166 429 G HA2 -0.407 3.554 3.960 0.001 0.000 0.260 429 G HA3 -0.407 3.554 3.960 0.001 0.000 0.260 429 G C 0.947 175.767 174.900 -0.133 0.000 0.986 429 G CA 1.088 46.097 45.100 -0.152 0.000 0.683 429 G HN 0.484 nan 8.290 nan 0.000 0.527 430 K N -1.903 118.319 120.400 -0.297 0.000 2.418 430 K HA 0.166 4.486 4.320 0.001 0.000 0.208 430 K C 2.504 179.052 176.600 -0.087 0.000 1.261 430 K CA 1.029 57.258 56.287 -0.098 0.000 0.874 430 K CB 0.121 32.581 32.500 -0.067 0.000 1.451 430 K HN 0.359 nan 8.250 nan 0.000 0.466 431 T N -2.173 112.228 114.554 -0.255 0.000 2.978 431 T HA 0.072 4.422 4.350 0.001 0.000 0.248 431 T C 0.801 175.411 174.700 -0.151 0.000 1.018 431 T CA 0.099 62.140 62.100 -0.098 0.000 1.026 431 T CB 0.557 69.375 68.868 -0.084 0.000 1.032 431 T HN 0.011 nan 8.240 nan 0.000 0.485 432 T N 0.998 115.272 114.554 -0.466 0.000 2.863 432 T HA 0.675 5.025 4.350 0.001 0.000 0.285 432 T C -1.934 172.526 174.700 -0.401 0.000 1.009 432 T CA -0.809 61.179 62.100 -0.187 0.000 0.989 432 T CB 0.816 69.641 68.868 -0.072 0.000 1.004 432 T HN 0.167 nan 8.240 nan 0.000 0.455 433 F N 3.501 123.647 119.950 0.327 0.000 2.588 433 F HA 0.632 5.159 4.527 0.001 0.000 0.314 433 F C -2.327 173.348 175.800 -0.209 0.000 1.069 433 F CA -2.380 55.673 58.000 0.087 0.000 0.931 433 F CB 1.450 40.457 39.000 0.011 0.000 1.260 433 F HN 0.357 nan 8.300 nan 0.000 0.465 434 P HA 0.256 nan 4.420 nan 0.000 0.278 434 P C -0.964 176.189 177.300 -0.244 0.000 1.266 434 P CA -0.687 61.948 63.100 -0.775 0.000 0.807 434 P CB 1.148 32.275 31.700 -0.955 0.000 1.094 435 S N 1.017 116.609 115.700 -0.180 0.000 2.406 435 S HA 0.428 4.898 4.470 0.001 0.000 0.224 435 S C -2.533 171.999 174.600 -0.113 0.000 1.426 435 S CA -1.806 56.342 58.200 -0.086 0.000 1.179 435 S CB -0.267 62.925 63.200 -0.014 0.000 1.042 435 S HN 0.198 nan 8.310 nan 0.000 0.479 436 P HA 0.321 nan 4.420 nan 0.000 0.276 436 P C -0.767 176.474 177.300 -0.098 0.000 1.252 436 P CA -0.511 62.517 63.100 -0.122 0.000 0.802 436 P CB 1.331 32.966 31.700 -0.108 0.000 1.035 437 S N 0.676 116.310 115.700 -0.110 0.000 2.532 437 S HA 0.303 4.773 4.470 0.001 0.000 0.299 437 S C 0.691 175.245 174.600 -0.076 0.000 1.105 437 S CA -0.731 57.420 58.200 -0.082 0.000 1.018 437 S CB 0.043 63.184 63.200 -0.098 0.000 1.021 437 S HN 0.499 nan 8.310 nan 0.000 0.483 438 N N 5.344 124.020 118.700 -0.040 0.000 2.270 438 N HA 0.137 4.878 4.740 0.001 0.000 0.198 438 N C 0.714 176.214 175.510 -0.017 0.000 1.117 438 N CA 0.035 53.075 53.050 -0.017 0.000 0.845 438 N CB -0.053 38.445 38.487 0.017 0.000 0.980 438 N HN 0.588 nan 8.380 nan 0.000 0.486 439 L N -0.979 120.196 121.223 -0.080 0.000 2.624 439 L HA 0.224 4.565 4.340 0.001 0.000 0.222 439 L C 0.527 177.261 176.870 -0.226 0.000 1.046 439 L CA 0.004 54.746 54.840 -0.164 0.000 0.872 439 L CB -0.098 41.850 42.059 -0.185 0.000 1.190 439 L HN 0.001 nan 8.230 nan 0.000 0.487 440 N N 1.415 119.961 118.700 -0.256 0.000 3.303 440 N HA 0.049 4.790 4.740 0.001 0.000 0.304 440 N C -0.654 174.739 175.510 -0.194 0.000 1.302 440 N CA 0.391 53.282 53.050 -0.265 0.000 1.213 440 N CB 0.015 38.273 38.487 -0.381 0.000 1.481 440 N HN 0.044 nan 8.380 nan 0.000 0.546 441 T N -1.202 113.271 114.554 -0.135 0.000 2.894 441 T HA 0.263 4.613 4.350 0.001 0.000 0.309 441 T C 0.980 175.658 174.700 -0.037 0.000 1.208 441 T CA -0.473 61.569 62.100 -0.097 0.000 1.016 441 T CB 0.962 69.790 68.868 -0.066 0.000 1.192 441 T HN 0.116 nan 8.240 nan 0.000 0.491 442 S N 1.790 117.480 115.700 -0.018 0.000 2.372 442 S HA -0.150 4.320 4.470 0.001 0.000 0.227 442 S C 2.185 176.904 174.600 0.199 0.000 1.044 442 S CA 1.807 60.089 58.200 0.137 0.000 1.050 442 S CB -0.563 62.654 63.200 0.028 0.000 0.901 442 S HN 0.872 nan 8.310 nan 0.000 0.447 443 A N 0.868 123.748 122.820 0.100 0.000 2.209 443 A HA 0.368 4.689 4.320 0.001 0.000 0.212 443 A C 1.488 179.183 177.584 0.187 0.000 1.158 443 A CA 1.055 53.171 52.037 0.132 0.000 0.742 443 A CB -0.631 18.422 19.000 0.088 0.000 0.790 443 A HN 0.502 nan 8.150 nan 0.000 0.472 444 G N -1.038 107.826 108.800 0.107 0.000 3.329 444 G HA2 0.448 4.408 3.960 0.001 0.000 0.180 444 G HA3 0.448 4.408 3.960 0.001 0.000 0.180 444 G C -0.119 174.667 174.900 -0.191 0.000 1.640 444 G CA 0.145 45.218 45.100 -0.045 0.000 1.018 444 G HN 0.436 nan 8.290 nan 0.000 0.581 445 Q N -0.413 119.173 119.800 -0.356 0.000 2.284 445 Q HA 0.427 4.767 4.340 0.001 0.000 0.269 445 Q C -1.596 174.409 176.000 0.007 0.000 1.026 445 Q CA -0.909 54.801 55.803 -0.155 0.000 0.831 445 Q CB 1.786 30.311 28.738 -0.354 0.000 1.322 445 Q HN 0.911 nan 8.270 nan 0.000 0.419 446 H N 3.136 122.231 119.070 0.041 0.000 2.990 446 H HA 0.715 5.271 4.556 0.001 0.000 0.343 446 H C -1.309 174.064 175.328 0.075 0.000 1.270 446 H CA -0.850 55.198 56.048 0.001 0.000 1.118 446 H CB 1.400 31.157 29.762 -0.008 0.000 1.861 446 H HN 0.746 nan 8.280 nan 0.000 0.544 447 I N -1.954 118.385 120.570 -0.384 0.000 2.865 447 I HA 0.552 4.722 4.170 0.001 0.000 0.302 447 I C -3.262 172.471 176.117 -0.640 0.000 1.140 447 I CA -2.811 58.053 61.300 -0.727 0.000 1.021 447 I CB 3.085 40.644 38.000 -0.736 0.000 1.233 447 I HN 0.165 nan 8.210 nan 0.000 0.427 448 P HA 0.200 nan 4.420 nan 0.000 0.271 448 P C 0.143 177.219 177.300 -0.373 0.000 1.220 448 P CA -0.250 62.534 63.100 -0.526 0.000 0.768 448 P CB 0.872 32.200 31.700 -0.620 0.000 0.848 449 R N 3.585 123.971 120.500 -0.190 0.000 2.127 449 R HA -0.103 4.238 4.340 0.001 0.000 0.238 449 R C 1.357 177.584 176.300 -0.122 0.000 1.134 449 R CA 1.401 57.427 56.100 -0.124 0.000 0.975 449 R CB -0.523 29.782 30.300 0.008 0.000 0.865 449 R HN 0.464 nan 8.270 nan 0.000 0.447 450 L N 0.209 121.368 121.223 -0.107 0.000 2.552 450 L HA -0.011 4.329 4.340 0.001 0.000 0.227 450 L C 1.062 177.760 176.870 -0.286 0.000 1.146 450 L CA 0.724 55.509 54.840 -0.092 0.000 0.858 450 L CB 0.103 42.172 42.059 0.017 0.000 0.969 450 L HN 0.012 nan 8.230 nan 0.000 0.451 451 K N -0.406 119.717 120.400 -0.462 0.000 2.592 451 K HA 0.313 4.633 4.320 0.001 0.000 0.203 451 K C 1.340 177.487 176.600 -0.755 0.000 1.070 451 K CA -0.038 55.802 56.287 -0.746 0.000 1.062 451 K CB 0.816 32.601 32.500 -1.192 0.000 0.814 451 K HN 0.172 nan 8.250 nan 0.000 0.502 452 I N 1.744 121.952 120.570 -0.603 0.000 2.163 452 I HA -0.228 3.942 4.170 0.001 0.000 0.243 452 I C -0.835 174.902 176.117 -0.634 0.000 1.085 452 I CA 1.592 62.538 61.300 -0.591 0.000 1.347 452 I CB -1.116 36.643 38.000 -0.402 0.000 1.044 452 I HN 0.036 nan 8.210 nan 0.000 0.408 453 P HA -0.173 nan 4.420 nan 0.000 0.216 453 P C 1.250 178.251 177.300 -0.500 0.000 1.153 453 P CA 1.426 64.143 63.100 -0.638 0.000 0.858 453 P CB 0.024 31.263 31.700 -0.769 0.000 0.789 454 E N -1.285 118.599 120.200 -0.526 0.000 2.106 454 E HA -0.124 4.226 4.350 0.001 0.000 0.192 454 E C 2.090 178.492 176.600 -0.329 0.000 0.984 454 E CA 0.949 57.104 56.400 -0.409 0.000 0.806 454 E CB -1.418 27.970 29.700 -0.519 0.000 0.750 454 E HN 0.238 nan 8.360 nan 0.000 0.458 455 C N 0.117 119.146 119.300 -0.453 0.000 2.446 455 C HA -0.004 4.457 4.460 0.001 0.000 0.277 455 C C 2.524 177.380 174.990 -0.223 0.000 1.275 455 C CA 0.221 59.031 59.018 -0.347 0.000 1.727 455 C CB -0.792 26.459 27.740 -0.815 0.000 2.010 455 C HN 0.374 nan 8.230 nan 0.000 0.486 456 I N 0.526 120.874 120.570 -0.370 0.000 2.163 456 I HA -0.228 3.942 4.170 0.001 0.000 0.240 456 I C 2.530 178.327 176.117 -0.534 0.000 1.081 456 I CA 1.732 62.814 61.300 -0.363 0.000 1.353 456 I CB -0.400 37.367 38.000 -0.387 0.000 1.054 456 I HN 0.310 nan 8.210 nan 0.000 0.407 457 M N -0.033 119.253 119.600 -0.523 0.000 2.254 457 M HA -0.015 4.465 4.480 0.001 0.000 0.265 457 M C 2.080 178.217 176.300 -0.271 0.000 1.066 457 M CA 1.653 56.605 55.300 -0.581 0.000 1.123 457 M CB -0.481 31.968 32.600 -0.252 0.000 1.388 457 M HN 0.324 nan 8.290 nan 0.000 0.425 458 G N -0.978 107.729 108.800 -0.154 0.000 2.719 458 G HA2 0.282 4.243 3.960 0.001 0.000 0.211 458 G HA3 0.282 4.243 3.960 0.001 0.000 0.211 458 G C 1.110 176.025 174.900 0.024 0.000 1.140 458 G CA 0.433 45.518 45.100 -0.026 0.000 0.790 458 G HN 0.577 nan 8.290 nan 0.000 0.529 459 G N -0.278 108.544 108.800 0.035 0.000 2.225 459 G HA2 -0.270 3.691 3.960 0.001 0.000 0.267 459 G HA3 -0.270 3.691 3.960 0.001 0.000 0.267 459 G C 0.069 175.054 174.900 0.142 0.000 1.024 459 G CA 1.041 46.217 45.100 0.126 0.000 0.784 459 G HN 0.833 nan 8.290 nan 0.000 0.507 460 K N -1.629 118.935 120.400 0.274 0.000 2.589 460 K HA 0.672 4.992 4.320 0.001 0.000 0.265 460 K C -1.936 174.961 176.600 0.495 0.000 0.935 460 K CA -0.975 55.490 56.287 0.297 0.000 0.850 460 K CB 1.246 33.830 32.500 0.139 0.000 1.372 460 K HN 0.355 nan 8.250 nan 0.000 0.420 461 F N 1.383 121.530 119.950 0.329 0.000 2.744 461 F HA 0.390 4.918 4.527 0.001 0.000 0.311 461 F C -1.802 174.295 175.800 0.496 0.000 1.144 461 F CA -0.419 57.787 58.000 0.342 0.000 0.938 461 F CB 2.090 41.240 39.000 0.250 0.000 1.292 461 F HN 0.414 nan 8.300 nan 0.000 0.444 462 Q N 3.386 123.106 119.800 -0.133 0.000 2.289 462 Q HA 0.473 4.813 4.340 0.001 0.000 0.270 462 Q C -1.887 174.159 176.000 0.078 0.000 1.038 462 Q CA -0.397 55.431 55.803 0.042 0.000 0.812 462 Q CB 2.750 31.452 28.738 -0.061 0.000 1.300 462 Q HN 0.799 nan 8.270 nan 0.000 0.427 463 W N 1.195 122.539 121.300 0.073 0.000 2.962 463 W HA 0.755 5.416 4.660 0.001 0.000 0.405 463 W C -1.449 175.266 176.519 0.328 0.000 1.121 463 W CA -0.797 56.665 57.345 0.196 0.000 1.164 463 W CB 0.507 30.191 29.460 0.374 0.000 1.489 463 W HN 0.324 nan 8.180 nan 0.000 0.599 464 S N 1.007 116.999 115.700 0.487 0.000 2.482 464 S HA 0.738 5.209 4.470 0.001 0.000 0.303 464 S C 0.037 175.073 174.600 0.727 0.000 1.091 464 S CA 0.182 58.659 58.200 0.462 0.000 1.057 464 S CB 0.893 64.359 63.200 0.442 0.000 1.031 464 S HN 1.592 nan 8.310 nan 0.000 0.485 465 G N 2.031 111.269 108.800 0.729 0.000 2.787 465 G HA2 -0.141 3.819 3.960 0.001 0.000 0.685 465 G HA3 -0.141 3.819 3.960 0.001 0.000 0.685 465 G C -0.860 174.351 174.900 0.518 0.000 1.437 465 G CA -0.563 44.957 45.100 0.700 0.000 0.872 465 G HN 0.764 nan 8.290 nan 0.000 0.566 466 K N 0.987 121.514 120.400 0.211 0.000 2.535 466 K HA 0.602 4.922 4.320 0.001 0.000 0.253 466 K C 1.287 177.905 176.600 0.031 0.000 0.953 466 K CA 0.603 56.831 56.287 -0.099 0.000 0.863 466 K CB 0.758 32.841 32.500 -0.695 0.000 1.111 466 K HN 2.444 nan 8.250 nan 0.000 0.431 467 G N 3.116 111.994 108.800 0.130 0.000 2.652 467 G HA2 -0.334 3.627 3.960 0.001 0.000 0.318 467 G HA3 -0.334 3.627 3.960 0.001 0.000 0.318 467 G C -0.518 174.562 174.900 0.300 0.000 1.295 467 G CA 0.231 45.414 45.100 0.139 0.000 0.999 467 G HN 0.522 nan 8.290 nan 0.000 0.548 468 F N 2.229 122.189 119.950 0.016 0.000 2.434 468 F HA 0.580 5.107 4.527 0.001 0.000 0.358 468 F C 1.153 176.983 175.800 0.050 0.000 1.136 468 F CA -0.988 56.978 58.000 -0.057 0.000 1.157 468 F CB 0.503 39.436 39.000 -0.111 0.000 1.167 468 F HN 0.699 nan 8.300 nan 0.000 0.539 469 A N 2.678 125.691 122.820 0.322 0.000 3.078 469 A HA 0.508 4.828 4.320 0.001 0.000 0.279 469 A C 1.420 179.063 177.584 0.098 0.000 1.594 469 A CA 0.076 52.246 52.037 0.221 0.000 1.301 469 A CB -0.831 18.275 19.000 0.177 0.000 1.162 469 A HN 0.848 nan 8.150 nan 0.000 0.585 470 G N -0.021 108.855 108.800 0.126 0.000 3.042 470 G HA2 0.264 4.225 3.960 0.001 0.000 0.212 470 G HA3 0.264 4.225 3.960 0.001 0.000 0.212 470 G C 1.076 176.023 174.900 0.077 0.000 1.166 470 G CA 0.757 45.883 45.100 0.044 0.000 0.767 470 G HN 0.692 nan 8.290 nan 0.000 0.546 471 G N -0.140 108.734 108.800 0.123 0.000 2.404 471 G HA2 0.097 4.057 3.960 0.001 0.000 0.215 471 G HA3 0.097 4.057 3.960 0.001 0.000 0.215 471 G C 0.297 175.033 174.900 -0.273 0.000 1.174 471 G CA 1.039 46.184 45.100 0.075 0.000 0.780 471 G HN 0.438 nan 8.290 nan 0.000 0.537 472 D N -2.838 117.096 120.400 -0.777 0.000 2.583 472 D HA 0.324 4.965 4.640 0.001 0.000 0.248 472 D C 1.420 177.480 176.300 -0.400 0.000 1.209 472 D CA -0.782 52.879 54.000 -0.566 0.000 0.848 472 D CB 0.888 41.295 40.800 -0.656 0.000 1.431 472 D HN -0.079 nan 8.370 nan 0.000 0.436 473 I N 0.252 120.685 120.570 -0.228 0.000 2.194 473 I HA -0.244 3.926 4.170 0.001 0.000 0.246 473 I C 1.580 177.626 176.117 -0.119 0.000 1.093 473 I CA 1.147 62.326 61.300 -0.202 0.000 1.355 473 I CB -0.212 37.732 38.000 -0.092 0.000 1.046 473 I HN 0.216 nan 8.210 nan 0.000 0.413 474 S N -1.282 114.394 115.700 -0.039 0.000 2.558 474 S HA -0.019 4.451 4.470 0.001 0.000 0.217 474 S C 1.544 176.217 174.600 0.121 0.000 0.975 474 S CA 0.032 58.256 58.200 0.040 0.000 0.912 474 S CB -0.442 62.787 63.200 0.048 0.000 0.776 474 S HN 0.501 nan 8.310 nan 0.000 0.526 475 H N 2.237 121.310 119.070 0.006 0.000 2.390 475 H HA -0.165 4.392 4.556 0.001 0.000 0.298 475 H C 2.363 177.752 175.328 0.102 0.000 1.106 475 H CA 1.440 57.518 56.048 0.051 0.000 1.297 475 H CB -0.021 29.764 29.762 0.038 0.000 1.375 475 H HN 0.604 nan 8.280 nan 0.000 0.509 476 Q N 1.022 120.919 119.800 0.162 0.000 2.437 476 Q HA -0.078 4.263 4.340 0.001 0.000 0.210 476 Q C 1.527 177.672 176.000 0.243 0.000 0.972 476 Q CA 0.874 56.783 55.803 0.177 0.000 0.903 476 Q CB -0.107 28.586 28.738 -0.076 0.000 0.967 476 Q HN 0.521 nan 8.270 nan 0.000 0.486 477 L N 0.171 121.428 121.223 0.057 0.000 2.592 477 L HA 0.155 4.495 4.340 0.001 0.000 0.227 477 L C 1.184 178.003 176.870 -0.084 0.000 1.127 477 L CA -0.321 54.395 54.840 -0.208 0.000 0.884 477 L CB -0.370 41.344 42.059 -0.575 0.000 1.065 477 L HN 0.340 nan 8.230 nan 0.000 0.457 478 H N 2.041 121.103 119.070 -0.015 0.000 2.815 478 H HA 0.094 4.650 4.556 0.001 0.000 0.350 478 H C -0.234 174.959 175.328 -0.225 0.000 1.080 478 H CA 0.153 56.116 56.048 -0.142 0.000 1.433 478 H CB 0.927 30.590 29.762 -0.165 0.000 1.432 478 H HN 0.069 nan 8.280 nan 0.000 0.592 479 Q N 4.636 124.069 119.800 -0.611 0.000 2.274 479 Q HA 0.189 4.530 4.340 0.001 0.000 0.256 479 Q C -0.963 174.659 176.000 -0.631 0.000 0.927 479 Q CA -0.218 55.330 55.803 -0.425 0.000 0.939 479 Q CB 0.917 29.490 28.738 -0.275 0.000 1.201 479 Q HN 0.487 nan 8.270 nan 0.000 0.426 480 Y N 0.225 120.253 120.300 -0.454 0.000 2.562 480 Y HA 0.414 4.965 4.550 0.001 0.000 0.343 480 Y C 0.428 175.790 175.900 -0.895 0.000 1.025 480 Y CA -0.942 56.739 58.100 -0.699 0.000 1.082 480 Y CB 1.898 39.742 38.460 -1.027 0.000 1.264 480 Y HN 0.500 nan 8.280 nan 0.000 0.478 481 E N 0.551 120.528 120.200 -0.372 0.000 2.408 481 E HA 0.498 4.848 4.350 0.001 0.000 0.275 481 E C -2.223 174.573 176.600 0.327 0.000 0.935 481 E CA -1.142 55.239 56.400 -0.031 0.000 0.775 481 E CB 3.002 32.717 29.700 0.025 0.000 1.277 481 E HN 0.571 nan 8.360 nan 0.000 0.455 482 Y N 1.726 122.254 120.300 0.380 0.000 2.373 482 Y HA 0.415 4.965 4.550 0.001 0.000 0.336 482 Y C -2.814 173.209 175.900 0.205 0.000 0.979 482 Y CA -2.377 55.919 58.100 0.326 0.000 1.080 482 Y CB 2.190 40.870 38.460 0.366 0.000 1.190 482 Y HN 0.403 nan 8.280 nan 0.000 0.446 483 P HA 0.227 nan 4.420 nan 0.000 0.275 483 P C -0.688 176.655 177.300 0.072 0.000 1.228 483 P CA -0.077 62.809 63.100 -0.356 0.000 0.786 483 P CB 1.212 32.695 31.700 -0.362 0.000 0.927 484 A N 5.119 128.085 122.820 0.245 0.000 2.483 484 A HA 0.284 4.605 4.320 0.001 0.000 0.238 484 A C -1.993 175.759 177.584 0.280 0.000 1.070 484 A CA -1.127 51.084 52.037 0.291 0.000 0.770 484 A CB -1.548 17.664 19.000 0.352 0.000 1.008 484 A HN 0.419 nan 8.150 nan 0.000 0.497 485 P HA 0.144 nan 4.420 nan 0.000 0.258 485 P C 1.114 178.432 177.300 0.030 0.000 1.172 485 P CA 2.143 65.300 63.100 0.096 0.000 0.762 485 P CB 0.323 32.066 31.700 0.071 0.000 0.764 486 G N 1.486 110.261 108.800 -0.040 0.000 2.253 486 G HA2 -0.294 3.667 3.960 0.001 0.000 0.251 486 G HA3 -0.294 3.667 3.960 0.001 0.000 0.251 486 G C 0.087 174.837 174.900 -0.250 0.000 0.998 486 G CA -0.270 44.726 45.100 -0.174 0.000 0.621 486 G HN 0.448 nan 8.290 nan 0.000 0.524 487 Y N 0.847 121.178 120.300 0.052 0.000 2.344 487 Y HA 0.663 5.213 4.550 0.001 0.000 0.330 487 Y C 1.110 177.041 175.900 0.051 0.000 1.330 487 Y CA 0.244 58.385 58.100 0.068 0.000 1.479 487 Y CB 1.101 39.616 38.460 0.091 0.000 1.428 487 Y HN 0.182 nan 8.280 nan 0.000 0.544 488 S N 0.074 115.942 115.700 0.279 0.000 2.549 488 S HA 0.389 4.860 4.470 0.001 0.000 0.297 488 S C -0.723 173.942 174.600 0.108 0.000 1.115 488 S CA -0.965 57.328 58.200 0.154 0.000 1.059 488 S CB 0.494 63.810 63.200 0.193 0.000 1.046 488 S HN 0.496 nan 8.310 nan 0.000 0.506 489 K N 2.191 122.589 120.400 -0.004 0.000 2.230 489 K HA 0.217 4.538 4.320 0.001 0.000 0.253 489 K C 0.028 176.688 176.600 0.100 0.000 1.008 489 K CA -0.453 55.843 56.287 0.015 0.000 0.910 489 K CB 0.201 32.662 32.500 -0.066 0.000 0.994 489 K HN 0.489 nan 8.250 nan 0.000 0.495 490 I N 2.612 123.298 120.570 0.193 0.000 2.634 490 I HA -0.046 4.124 4.170 0.001 0.000 0.284 490 I C 1.211 177.357 176.117 0.048 0.000 1.124 490 I CA 0.615 61.971 61.300 0.094 0.000 1.417 490 I CB 0.687 38.682 38.000 -0.008 0.000 1.396 490 I HN 0.606 nan 8.210 nan 0.000 0.571 491 K N 4.575 125.023 120.400 0.080 0.000 2.511 491 K HA 0.320 4.641 4.320 0.001 0.000 0.206 491 K C 0.151 176.880 176.600 0.214 0.000 1.333 491 K CA 0.368 56.716 56.287 0.103 0.000 0.957 491 K CB 1.007 33.550 32.500 0.072 0.000 1.172 491 K HN 0.561 nan 8.250 nan 0.000 0.547 492 M N 0.061 119.810 119.600 0.250 0.000 2.530 492 M HA 0.435 4.916 4.480 0.001 0.000 0.307 492 M C -1.799 174.715 176.300 0.356 0.000 1.161 492 M CA -0.749 54.749 55.300 0.331 0.000 0.903 492 M CB 2.333 35.174 32.600 0.403 0.000 1.711 492 M HN -0.017 nan 8.290 nan 0.000 0.451 493 F N 4.852 124.886 119.950 0.139 0.000 2.553 493 F HA 0.369 4.896 4.527 0.001 0.000 0.335 493 F C -1.827 174.081 175.800 0.181 0.000 1.148 493 F CA -0.696 57.398 58.000 0.155 0.000 0.963 493 F CB 1.119 40.181 39.000 0.103 0.000 1.217 493 F HN 0.697 nan 8.300 nan 0.000 0.441 494 W N 9.041 130.566 121.300 0.375 0.000 2.295 494 W HA 0.346 5.007 4.660 0.001 0.000 0.333 494 W C -1.037 175.511 176.519 0.049 0.000 0.990 494 W CA -1.062 56.352 57.345 0.116 0.000 1.453 494 W CB 0.819 30.385 29.460 0.177 0.000 1.263 494 W HN 0.495 nan 8.180 nan 0.000 0.380 495 K N 4.152 124.616 120.400 0.106 0.000 2.218 495 K HA 0.096 4.416 4.320 0.001 0.000 0.276 495 K C -1.231 175.517 176.600 0.247 0.000 1.022 495 K CA -0.589 55.677 56.287 -0.035 0.000 0.946 495 K CB 1.727 34.007 32.500 -0.368 0.000 1.000 495 K HN 0.320 nan 8.250 nan 0.000 0.468 496 Y N 1.567 121.903 120.300 0.061 0.000 2.686 496 Y HA 0.335 4.885 4.550 0.001 0.000 0.331 496 Y C 0.077 175.943 175.900 -0.056 0.000 0.996 496 Y CA 0.345 58.484 58.100 0.064 0.000 1.293 496 Y CB 0.631 39.134 38.460 0.071 0.000 1.092 496 Y HN 0.919 nan 8.280 nan 0.000 0.524 497 G N 2.407 111.140 108.800 -0.112 0.000 2.712 497 G HA2 0.261 4.221 3.960 0.001 0.000 0.683 497 G HA3 0.261 4.221 3.960 0.001 0.000 0.683 497 G C -0.239 174.556 174.900 -0.174 0.000 1.320 497 G CA -0.401 44.619 45.100 -0.133 0.000 0.847 497 G HN 1.420 nan 8.290 nan 0.000 0.553 498 G N -0.795 107.888 108.800 -0.195 0.000 4.220 498 G HA2 0.715 4.676 3.960 0.001 0.000 0.256 498 G HA3 0.715 4.676 3.960 0.001 0.000 0.256 498 G C -1.481 173.282 174.900 -0.229 0.000 1.520 498 G CA 0.614 45.561 45.100 -0.254 0.000 0.608 498 G HN 0.783 nan 8.290 nan 0.000 0.415 499 P HA 0.103 nan 4.420 nan 0.000 0.282 499 P C 0.818 178.031 177.300 -0.146 0.000 1.327 499 P CA 0.119 63.117 63.100 -0.170 0.000 0.949 499 P CB 0.343 31.969 31.700 -0.123 0.000 1.445 500 H N 0.362 119.253 119.070 -0.298 0.000 2.426 500 H HA -0.069 4.487 4.556 0.001 0.000 0.298 500 H C 1.902 176.893 175.328 -0.562 0.000 1.107 500 H CA 0.692 56.443 56.048 -0.495 0.000 1.298 500 H CB -0.319 29.055 29.762 -0.648 0.000 1.377 500 H HN 0.090 nan 8.280 nan 0.000 0.519 501 L N -0.325 120.709 121.223 -0.314 0.000 2.191 501 L HA -0.115 4.225 4.340 0.001 0.000 0.212 501 L C 2.576 179.269 176.870 -0.296 0.000 1.103 501 L CA 1.127 55.750 54.840 -0.362 0.000 0.769 501 L CB -0.125 41.643 42.059 -0.485 0.000 0.908 501 L HN 0.338 nan 8.230 nan 0.000 0.438 502 G N -1.887 106.760 108.800 -0.255 0.000 3.020 502 G HA2 -0.036 3.925 3.960 0.001 0.000 0.217 502 G HA3 -0.036 3.925 3.960 0.001 0.000 0.217 502 G C 1.370 176.137 174.900 -0.222 0.000 1.144 502 G CA 0.780 45.733 45.100 -0.245 0.000 0.760 502 G HN 0.398 nan 8.290 nan 0.000 0.548 503 T N -3.279 111.135 114.554 -0.234 0.000 2.959 503 T HA 0.382 4.733 4.350 0.001 0.000 0.254 503 T C 1.401 175.945 174.700 -0.261 0.000 1.003 503 T CA -0.223 61.739 62.100 -0.230 0.000 0.950 503 T CB 0.296 69.020 68.868 -0.239 0.000 1.090 503 T HN -0.089 nan 8.240 nan 0.000 0.503 504 M N 2.825 122.217 119.600 -0.346 0.000 2.311 504 M HA 0.443 4.924 4.480 0.001 0.000 0.214 504 M C 0.475 176.665 176.300 -0.184 0.000 0.868 504 M CA -0.098 55.002 55.300 -0.334 0.000 1.766 504 M CB -0.048 32.185 32.600 -0.611 0.000 1.121 504 M HN 0.298 nan 8.290 nan 0.000 0.870 505 T N -1.913 112.585 114.554 -0.093 0.000 2.856 505 T HA 0.689 5.039 4.350 0.001 0.000 0.283 505 T C 0.164 174.861 174.700 -0.004 0.000 1.008 505 T CA -0.338 61.741 62.100 -0.036 0.000 0.997 505 T CB 1.424 70.286 68.868 -0.010 0.000 0.992 505 T HN 0.867 nan 8.240 nan 0.000 0.454 506 A N 2.180 124.979 122.820 -0.035 0.000 2.462 506 A HA -0.200 4.120 4.320 0.001 0.000 0.294 506 A C 1.696 179.272 177.584 -0.012 0.000 1.461 506 A CA 1.172 53.184 52.037 -0.042 0.000 0.765 506 A CB -2.591 16.384 19.000 -0.042 0.000 1.071 506 A HN 1.939 nan 8.150 nan 0.000 0.401 507 T N -1.688 112.851 114.554 -0.025 0.000 2.896 507 T HA -0.263 4.087 4.350 0.001 0.000 0.270 507 T C 1.432 176.140 174.700 0.013 0.000 1.104 507 T CA 1.584 63.689 62.100 0.008 0.000 1.115 507 T CB -0.496 68.272 68.868 -0.167 0.000 0.843 507 T HN 0.640 nan 8.240 nan 0.000 0.523 508 N N 2.091 120.772 118.700 -0.031 0.000 2.272 508 N HA -0.104 4.637 4.740 0.001 0.000 0.185 508 N C 2.101 177.599 175.510 -0.019 0.000 1.014 508 N CA 1.421 54.459 53.050 -0.019 0.000 0.870 508 N CB -0.361 38.128 38.487 0.003 0.000 0.975 508 N HN 0.775 nan 8.380 nan 0.000 0.433 509 R N -0.557 119.914 120.500 -0.047 0.000 2.148 509 R HA -0.096 4.245 4.340 0.001 0.000 0.227 509 R C 1.295 177.438 176.300 -0.261 0.000 1.103 509 R CA 0.967 56.975 56.100 -0.154 0.000 0.983 509 R CB -0.756 29.405 30.300 -0.232 0.000 0.874 509 R HN 0.255 nan 8.270 nan 0.000 0.451 510 Y N 1.509 121.675 120.300 -0.224 0.000 2.263 510 Y HA 0.027 4.577 4.550 0.001 0.000 0.292 510 Y C 2.856 178.546 175.900 -0.350 0.000 1.130 510 Y CA 1.281 59.209 58.100 -0.286 0.000 1.179 510 Y CB -0.214 38.111 38.460 -0.225 0.000 0.998 510 Y HN 0.215 nan 8.280 nan 0.000 0.532 511 A N 0.170 122.903 122.820 -0.144 0.000 1.930 511 A HA -0.166 4.154 4.320 0.001 0.000 0.217 511 A C 2.111 179.660 177.584 -0.059 0.000 1.175 511 A CA 1.558 53.461 52.037 -0.224 0.000 0.627 511 A CB -0.396 18.607 19.000 0.004 0.000 0.815 511 A HN 0.375 nan 8.150 nan 0.000 0.443 512 K N -0.197 120.183 120.400 -0.034 0.000 2.103 512 K HA -0.106 4.214 4.320 0.001 0.000 0.204 512 K C 2.161 178.745 176.600 -0.028 0.000 1.052 512 K CA 1.552 57.848 56.287 0.015 0.000 0.945 512 K CB -0.390 32.112 32.500 0.004 0.000 0.722 512 K HN 0.798 nan 8.250 nan 0.000 0.443 513 M N -0.951 118.536 119.600 -0.188 0.000 2.202 513 M HA -0.167 4.313 4.480 0.001 0.000 0.262 513 M C 1.354 177.566 176.300 -0.147 0.000 1.063 513 M CA 1.700 56.858 55.300 -0.237 0.000 1.097 513 M CB -0.803 31.531 32.600 -0.445 0.000 1.382 513 M HN 0.011 nan 8.290 nan 0.000 0.413 514 Y N 2.310 122.587 120.300 -0.039 0.000 2.333 514 Y HA -0.143 4.407 4.550 0.001 0.000 0.290 514 Y C 2.782 178.757 175.900 0.126 0.000 1.144 514 Y CA 1.784 59.907 58.100 0.038 0.000 1.228 514 Y CB -0.506 37.944 38.460 -0.016 0.000 0.985 514 Y HN 0.542 nan 8.280 nan 0.000 0.542 515 T N -3.052 111.663 114.554 0.268 0.000 3.129 515 T HA -0.052 4.299 4.350 0.001 0.000 0.251 515 T C 0.450 175.248 174.700 0.163 0.000 1.117 515 T CA -0.123 62.106 62.100 0.215 0.000 1.034 515 T CB -0.486 68.494 68.868 0.188 0.000 0.968 515 T HN 0.222 nan 8.240 nan 0.000 0.526 516 H N 3.070 122.187 119.070 0.078 0.000 2.803 516 H HA 0.064 4.621 4.556 0.001 0.000 0.330 516 H C 0.595 175.969 175.328 0.077 0.000 1.057 516 H CA 0.437 56.516 56.048 0.051 0.000 1.458 516 H CB 0.976 30.742 29.762 0.005 0.000 1.470 516 H HN 0.386 nan 8.280 nan 0.000 0.560 517 D N 2.225 122.493 120.400 -0.220 0.000 2.378 517 D HA -0.147 4.493 4.640 0.001 0.000 0.227 517 D C 1.352 177.709 176.300 0.094 0.000 1.012 517 D CA 0.667 54.650 54.000 -0.028 0.000 0.905 517 D CB -0.040 40.720 40.800 -0.068 0.000 0.895 517 D HN 0.444 nan 8.370 nan 0.000 0.532 518 S N 0.004 115.869 115.700 0.275 0.000 2.461 518 S HA -0.019 4.451 4.470 0.001 0.000 0.228 518 S C 1.253 175.978 174.600 0.208 0.000 1.005 518 S CA -0.339 58.022 58.200 0.268 0.000 0.942 518 S CB -0.488 62.919 63.200 0.345 0.000 0.776 518 S HN 0.221 nan 8.310 nan 0.000 0.514 519 L N 2.629 123.996 121.223 0.239 0.000 2.401 519 L HA 0.236 4.576 4.340 0.001 0.000 0.283 519 L C 1.005 178.025 176.870 0.249 0.000 1.151 519 L CA -0.183 54.787 54.840 0.216 0.000 0.942 519 L CB 0.416 42.605 42.059 0.217 0.000 1.283 519 L HN 0.379 nan 8.230 nan 0.000 0.442 520 E N 2.987 123.346 120.200 0.266 0.000 2.274 520 E HA -0.053 4.297 4.350 0.001 0.000 0.194 520 E C -0.364 176.522 176.600 0.477 0.000 0.996 520 E CA 0.618 57.214 56.400 0.326 0.000 0.840 520 E CB 0.372 30.248 29.700 0.293 0.000 0.772 520 E HN 0.306 nan 8.360 nan 0.000 0.491 521 F N 0.069 120.137 119.950 0.195 0.000 2.635 521 F HA 0.305 4.833 4.527 0.001 0.000 0.314 521 F C -1.757 174.101 175.800 0.097 0.000 1.119 521 F CA -1.208 56.860 58.000 0.113 0.000 1.000 521 F CB 1.430 40.522 39.000 0.153 0.000 1.278 521 F HN -0.405 nan 8.300 nan 0.000 0.446 522 V N 5.522 125.017 119.914 -0.698 0.000 2.709 522 V HA 0.788 4.908 4.120 0.001 0.000 0.308 522 V C -1.140 174.404 176.094 -0.917 0.000 1.062 522 V CA -0.862 61.107 62.300 -0.552 0.000 0.901 522 V CB 1.887 33.619 31.823 -0.152 0.000 1.003 522 V HN 0.642 nan 8.190 nan 0.000 0.425 523 V N 2.527 122.033 119.914 -0.679 0.000 2.709 523 V HA 0.666 4.786 4.120 0.001 0.000 0.308 523 V C -0.292 175.611 176.094 -0.319 0.000 1.062 523 V CA -0.458 61.491 62.300 -0.585 0.000 0.901 523 V CB 2.199 33.565 31.823 -0.762 0.000 1.003 523 V HN 0.853 nan 8.190 nan 0.000 0.425 524 S N 3.199 118.758 115.700 -0.235 0.000 2.552 524 S HA 0.472 4.942 4.470 0.001 0.000 0.314 524 S C -0.701 173.849 174.600 -0.083 0.000 1.099 524 S CA -0.520 57.593 58.200 -0.144 0.000 1.070 524 S CB 1.293 64.376 63.200 -0.195 0.000 0.998 524 S HN 0.836 nan 8.310 nan 0.000 0.474 525 Q N 3.948 123.759 119.800 0.017 0.000 2.506 525 Q HA 0.565 4.906 4.340 0.001 0.000 0.242 525 Q C -1.091 174.794 176.000 -0.193 0.000 1.060 525 Q CA -0.301 55.503 55.803 0.002 0.000 0.826 525 Q CB 0.435 29.310 28.738 0.228 0.000 1.169 525 Q HN 0.683 nan 8.270 nan 0.000 0.521 526 S N 2.730 118.312 115.700 -0.197 0.000 2.697 526 S HA 0.509 4.979 4.470 0.001 0.000 0.289 526 S C 0.591 175.033 174.600 -0.263 0.000 1.149 526 S CA -0.766 57.286 58.200 -0.246 0.000 0.850 526 S CB 1.051 64.146 63.200 -0.175 0.000 1.151 526 S HN 0.651 nan 8.310 nan 0.000 0.491 527 I N -0.574 119.799 120.570 -0.329 0.000 2.810 527 I HA 0.176 4.346 4.170 0.001 0.000 0.262 527 I C -0.117 175.615 176.117 -0.641 0.000 1.131 527 I CA 0.693 61.631 61.300 -0.604 0.000 1.453 527 I CB 0.270 37.643 38.000 -1.045 0.000 1.161 527 I HN 0.336 nan 8.210 nan 0.000 0.444 528 W N -0.008 121.229 121.300 -0.104 0.000 2.689 528 W HA 0.279 4.940 4.660 0.001 0.000 0.340 528 W C -0.846 175.623 176.519 -0.082 0.000 1.060 528 W CA -1.021 56.280 57.345 -0.073 0.000 1.218 528 W CB 1.335 30.741 29.460 -0.090 0.000 1.410 528 W HN -0.217 nan 8.180 nan 0.000 0.528 529 F N 4.261 124.191 119.950 -0.034 0.000 2.462 529 F HA 0.176 4.704 4.527 0.001 0.000 0.354 529 F C 0.237 175.887 175.800 -0.251 0.000 1.192 529 F CA 0.113 57.922 58.000 -0.317 0.000 1.173 529 F CB -0.210 38.359 39.000 -0.718 0.000 1.402 529 F HN 0.332 nan 8.300 nan 0.000 0.595 530 E N 2.090 122.055 120.200 -0.391 0.000 2.449 530 E HA 0.629 4.979 4.350 0.001 0.000 0.278 530 E C 0.582 177.001 176.600 -0.301 0.000 1.059 530 E CA -0.861 55.344 56.400 -0.325 0.000 0.854 530 E CB 0.427 30.040 29.700 -0.146 0.000 1.465 530 E HN 0.532 nan 8.360 nan 0.000 0.462 531 G N 1.267 109.962 108.800 -0.176 0.000 2.699 531 G HA2 -0.464 3.496 3.960 0.001 0.000 0.347 531 G HA3 -0.464 3.496 3.960 0.001 0.000 0.347 531 G C 0.759 175.634 174.900 -0.043 0.000 1.225 531 G CA 1.135 46.184 45.100 -0.086 0.000 0.973 531 G HN 0.701 nan 8.290 nan 0.000 0.551 532 E N 0.226 120.373 120.200 -0.089 0.000 2.371 532 E HA 0.190 4.541 4.350 0.001 0.000 0.194 532 E C 2.715 179.257 176.600 -0.097 0.000 1.012 532 E CA 0.522 56.912 56.400 -0.017 0.000 0.860 532 E CB 0.060 29.691 29.700 -0.116 0.000 0.811 532 E HN 0.327 nan 8.360 nan 0.000 0.502 533 V N 1.578 121.335 119.914 -0.262 0.000 2.317 533 V HA -0.212 3.908 4.120 0.001 0.000 0.251 533 V C -1.086 174.749 176.094 -0.432 0.000 1.065 533 V CA 1.696 63.781 62.300 -0.360 0.000 1.049 533 V CB -1.392 30.180 31.823 -0.417 0.000 0.651 533 V HN 0.195 nan 8.190 nan 0.000 0.450 534 P HA 0.013 nan 4.420 nan 0.000 0.269 534 P C 0.479 177.579 177.300 -0.334 0.000 1.376 534 P CA 1.020 63.811 63.100 -0.515 0.000 0.775 534 P CB -0.418 30.826 31.700 -0.760 0.000 1.345 535 F N -1.472 118.305 119.950 -0.288 0.000 2.728 535 F HA 0.345 4.872 4.527 0.001 0.000 0.314 535 F C 1.414 177.020 175.800 -0.325 0.000 1.094 535 F CA -0.401 57.368 58.000 -0.385 0.000 1.217 535 F CB -0.026 38.379 39.000 -0.992 0.000 1.056 535 F HN -0.205 nan 8.300 nan 0.000 0.577 536 A N 0.268 123.045 122.820 -0.071 0.000 2.351 536 A HA 0.213 4.534 4.320 0.001 0.000 0.257 536 A C 0.843 178.428 177.584 0.003 0.000 1.087 536 A CA -0.197 51.773 52.037 -0.111 0.000 0.798 536 A CB 0.241 19.134 19.000 -0.178 0.000 1.033 536 A HN 0.195 nan 8.150 nan 0.000 0.488 537 D N -0.222 120.048 120.400 -0.216 0.000 2.271 537 D HA 0.118 4.759 4.640 0.001 0.000 0.206 537 D C 0.085 176.323 176.300 -0.104 0.000 0.967 537 D CA 1.146 54.963 54.000 -0.306 0.000 0.867 537 D CB 0.278 40.525 40.800 -0.922 0.000 0.960 537 D HN 0.305 nan 8.370 nan 0.000 0.509 538 I N 1.320 121.809 120.570 -0.135 0.000 2.569 538 I HA 0.333 4.504 4.170 0.001 0.000 0.290 538 I C -0.592 175.458 176.117 -0.111 0.000 1.088 538 I CA -0.560 60.719 61.300 -0.035 0.000 1.047 538 I CB 2.419 40.447 38.000 0.046 0.000 1.237 538 I HN -0.255 nan 8.210 nan 0.000 0.421 539 I N 6.358 126.871 120.570 -0.096 0.000 2.465 539 I HA 0.451 4.621 4.170 0.001 0.000 0.291 539 I C -0.715 175.290 176.117 -0.186 0.000 1.014 539 I CA -0.648 60.557 61.300 -0.158 0.000 1.093 539 I CB 2.217 40.090 38.000 -0.212 0.000 1.267 539 I HN 0.226 nan 8.210 nan 0.000 0.431 540 L N 7.661 128.794 121.223 -0.151 0.000 2.319 540 L HA 0.472 4.812 4.340 0.001 0.000 0.281 540 L C -2.542 174.289 176.870 -0.066 0.000 1.005 540 L CA -1.887 52.862 54.840 -0.151 0.000 0.828 540 L CB 1.614 43.729 42.059 0.093 0.000 1.227 540 L HN 0.242 nan 8.230 nan 0.000 0.415 541 P HA 0.212 nan 4.420 nan 0.000 0.276 541 P C -0.612 176.752 177.300 0.106 0.000 1.264 541 P CA -0.041 63.049 63.100 -0.017 0.000 0.769 541 P CB 1.202 32.883 31.700 -0.032 0.000 0.840 542 A N 3.270 126.054 122.820 -0.060 0.000 2.269 542 A HA 0.709 5.029 4.320 0.001 0.000 0.327 542 A C 0.279 177.773 177.584 -0.151 0.000 1.112 542 A CA -0.395 51.591 52.037 -0.084 0.000 0.865 542 A CB 0.505 19.394 19.000 -0.185 0.000 1.227 542 A HN 0.704 nan 8.150 nan 0.000 0.498 543 C N -0.771 118.462 119.300 -0.112 0.000 2.630 543 C HA 0.916 5.377 4.460 0.001 0.000 0.346 543 C C 0.727 175.654 174.990 -0.105 0.000 1.245 543 C CA 0.024 58.970 59.018 -0.121 0.000 1.804 543 C CB 0.642 28.358 27.740 -0.039 0.000 2.279 543 C HN 1.179 nan 8.230 nan 0.000 0.498 544 T N -0.204 114.316 114.554 -0.056 0.000 2.874 544 T HA 0.235 4.586 4.350 0.001 0.000 0.281 544 T C 1.196 175.999 174.700 0.171 0.000 0.994 544 T CA 0.061 62.225 62.100 0.107 0.000 1.015 544 T CB 0.579 69.628 68.868 0.302 0.000 1.028 544 T HN 0.920 nan 8.240 nan 0.000 0.523 545 N N 0.505 119.329 118.700 0.207 0.000 2.513 545 N HA -0.138 4.603 4.740 0.001 0.000 0.187 545 N C 0.871 176.350 175.510 -0.052 0.000 1.056 545 N CA 0.998 54.093 53.050 0.074 0.000 0.907 545 N CB -0.630 37.878 38.487 0.034 0.000 0.954 545 N HN 0.650 nan 8.380 nan 0.000 0.445 546 F N 0.713 120.683 119.950 0.032 0.000 2.811 546 F HA 0.183 4.710 4.527 0.001 0.000 0.301 546 F C 1.361 177.116 175.800 -0.074 0.000 1.151 546 F CA 0.246 58.236 58.000 -0.017 0.000 1.412 546 F CB 0.200 39.216 39.000 0.026 0.000 1.113 546 F HN 0.070 nan 8.300 nan 0.000 0.579 547 E N 0.044 120.286 120.200 0.069 0.000 2.538 547 E HA 0.159 4.510 4.350 0.001 0.000 0.207 547 E C 0.333 176.888 176.600 -0.074 0.000 1.002 547 E CA -0.186 56.210 56.400 -0.006 0.000 0.952 547 E CB 0.486 30.198 29.700 0.019 0.000 1.031 547 E HN 0.347 nan 8.360 nan 0.000 0.476 548 R N -0.936 119.492 120.500 -0.120 0.000 2.795 548 R HA 0.466 4.806 4.340 0.001 0.000 0.268 548 R C -1.542 174.644 176.300 -0.189 0.000 1.041 548 R CA -1.028 55.003 56.100 -0.116 0.000 0.927 548 R CB 0.617 30.948 30.300 0.051 0.000 1.235 548 R HN -0.125 nan 8.270 nan 0.000 0.463 549 W N 0.529 121.897 121.300 0.114 0.000 2.417 549 W HA 0.505 5.166 4.660 0.001 0.000 0.317 549 W C -0.046 176.546 176.519 0.121 0.000 1.121 549 W CA 0.412 57.838 57.345 0.136 0.000 1.208 549 W CB 1.262 30.840 29.460 0.198 0.000 1.253 549 W HN 0.459 nan 8.180 nan 0.000 0.533 550 D N 1.247 121.876 120.400 0.381 0.000 2.713 550 D HA 0.493 5.134 4.640 0.001 0.000 0.306 550 D C -1.750 174.723 176.300 0.288 0.000 1.299 550 D CA -0.692 53.457 54.000 0.249 0.000 0.823 550 D CB 2.111 42.987 40.800 0.127 0.000 1.353 550 D HN 0.365 nan 8.370 nan 0.000 0.447 551 I N 0.490 121.179 120.570 0.198 0.000 2.802 551 I HA 0.600 4.771 4.170 0.001 0.000 0.298 551 I C -1.340 174.887 176.117 0.182 0.000 1.176 551 I CA -0.057 61.428 61.300 0.308 0.000 1.025 551 I CB 1.642 39.931 38.000 0.483 0.000 1.243 551 I HN 0.593 nan 8.210 nan 0.000 0.424 552 S N 4.073 119.941 115.700 0.281 0.000 2.643 552 S HA 0.445 4.916 4.470 0.001 0.000 0.266 552 S C -1.458 173.299 174.600 0.261 0.000 1.130 552 S CA -0.905 57.433 58.200 0.230 0.000 0.817 552 S CB 1.659 64.827 63.200 -0.053 0.000 1.107 552 S HN 0.811 nan 8.310 nan 0.000 0.471 553 E N 0.216 120.609 120.200 0.322 0.000 2.238 553 E HA 0.532 4.882 4.350 0.001 0.000 0.267 553 E C -1.242 175.717 176.600 0.599 0.000 0.887 553 E CA -0.957 55.616 56.400 0.289 0.000 0.769 553 E CB 0.973 30.742 29.700 0.114 0.000 1.187 553 E HN 0.520 nan 8.360 nan 0.000 0.416 554 F N 4.025 124.166 119.950 0.318 0.000 2.473 554 F HA 0.009 4.536 4.527 0.001 0.000 0.405 554 F C 1.089 177.102 175.800 0.355 0.000 0.988 554 F CA 1.304 59.473 58.000 0.281 0.000 1.096 554 F CB -0.725 38.395 39.000 0.200 0.000 0.944 554 F HN 0.789 nan 8.300 nan 0.000 0.530 555 A N 3.651 126.930 122.820 0.765 0.000 3.100 555 A HA -0.352 3.968 4.320 0.001 0.000 0.268 555 A C 0.996 179.018 177.584 0.730 0.000 1.227 555 A CA 1.212 53.619 52.037 0.618 0.000 0.967 555 A CB -2.517 16.710 19.000 0.379 0.000 1.066 555 A HN 0.802 nan 8.150 nan 0.000 0.787 556 N N -0.251 118.881 118.700 0.719 0.000 2.400 556 N HA 0.258 4.999 4.740 0.001 0.000 0.267 556 N C 0.872 176.543 175.510 0.268 0.000 1.208 556 N CA 0.436 53.779 53.050 0.489 0.000 0.951 556 N CB 0.291 39.051 38.487 0.455 0.000 1.227 556 N HN 0.700 nan 8.380 nan 0.000 0.488 557 C N 2.728 122.093 119.300 0.108 0.000 2.469 557 C HA 0.329 4.790 4.460 0.001 0.000 0.309 557 C C 1.354 175.996 174.990 -0.580 0.000 1.385 557 C CA 1.116 59.838 59.018 -0.494 0.000 1.890 557 C CB -0.967 26.758 27.740 -0.024 0.000 2.245 557 C HN 0.886 nan 8.230 nan 0.000 0.530 558 S N -1.038 114.483 115.700 -0.299 0.000 3.387 558 S HA 0.131 4.601 4.470 0.001 0.000 0.633 558 S C 1.100 175.355 174.600 -0.576 0.000 2.641 558 S CA 2.205 60.182 58.200 -0.371 0.000 2.931 558 S CB -1.662 61.421 63.200 -0.195 0.000 0.327 558 S HN 2.670 nan 8.310 nan 0.000 1.716 559 G N 0.770 109.192 108.800 -0.629 0.000 2.601 559 G HA2 -0.377 3.584 3.960 0.001 0.000 0.306 559 G HA3 -0.377 3.584 3.960 0.001 0.000 0.306 559 G C 0.587 175.165 174.900 -0.538 0.000 1.172 559 G CA 1.445 46.204 45.100 -0.568 0.000 0.966 559 G HN 2.074 nan 8.290 nan 0.000 0.542 560 Y N 0.759 120.996 120.300 -0.105 0.000 2.578 560 Y HA 0.642 5.192 4.550 0.001 0.000 0.297 560 Y C 1.561 177.379 175.900 -0.137 0.000 1.176 560 Y CA 0.261 58.291 58.100 -0.116 0.000 1.315 560 Y CB -0.170 38.216 38.460 -0.123 0.000 1.031 560 Y HN 0.357 nan 8.280 nan 0.000 0.524 561 I N 1.929 122.445 120.570 -0.089 0.000 2.926 561 I HA 0.291 4.461 4.170 0.001 0.000 0.295 561 I C -2.850 173.041 176.117 -0.376 0.000 1.463 561 I CA -1.973 59.238 61.300 -0.148 0.000 0.892 561 I CB 1.047 39.052 38.000 0.008 0.000 1.874 561 I HN -0.208 nan 8.210 nan 0.000 0.620 562 P HA 0.000 nan 4.420 nan 0.000 0.260 562 P C -0.163 176.840 177.300 -0.495 0.000 1.185 562 P CA 0.706 63.319 63.100 -0.812 0.000 0.763 562 P CB 0.229 31.190 31.700 -1.232 0.000 0.776 563 D N 1.479 121.677 120.400 -0.338 0.000 2.870 563 D HA -0.196 4.444 4.640 0.001 0.000 0.228 563 D C 0.629 176.448 176.300 -0.801 0.000 1.147 563 D CA 1.103 54.768 54.000 -0.559 0.000 0.757 563 D CB -1.906 38.666 40.800 -0.381 0.000 1.091 563 D HN 0.656 nan 8.370 nan 0.000 0.429 564 N N -0.164 118.280 118.700 -0.426 0.000 2.609 564 N HA -0.180 4.561 4.740 0.001 0.000 0.190 564 N C 1.745 177.164 175.510 -0.152 0.000 1.157 564 N CA 0.600 53.478 53.050 -0.287 0.000 0.918 564 N CB -0.569 37.837 38.487 -0.134 0.000 0.978 564 N HN 0.567 nan 8.380 nan 0.000 0.448 565 Y N -0.090 120.262 120.300 0.087 0.000 2.639 565 Y HA -0.031 4.520 4.550 0.001 0.000 0.297 565 Y C 1.782 177.733 175.900 0.084 0.000 1.151 565 Y CA 0.036 58.210 58.100 0.123 0.000 1.335 565 Y CB -0.681 37.897 38.460 0.196 0.000 0.994 565 Y HN 0.319 nan 8.280 nan 0.000 0.548 566 Q N 0.665 120.376 119.800 -0.147 0.000 2.466 566 Q HA 0.052 4.392 4.340 0.001 0.000 0.210 566 Q C 1.240 177.237 176.000 -0.005 0.000 0.961 566 Q CA 0.568 56.375 55.803 0.007 0.000 0.953 566 Q CB -0.306 28.400 28.738 -0.053 0.000 1.011 566 Q HN 0.623 nan 8.270 nan 0.000 0.516 567 L N 0.117 121.318 121.223 -0.038 0.000 2.418 567 L HA 0.079 4.419 4.340 0.001 0.000 0.218 567 L C 0.567 177.379 176.870 -0.097 0.000 1.125 567 L CA -0.134 54.665 54.840 -0.067 0.000 0.835 567 L CB 0.311 42.324 42.059 -0.077 0.000 0.953 567 L HN 0.352 nan 8.230 nan 0.000 0.454 568 C N -0.614 118.620 119.300 -0.111 0.000 2.349 568 C HA 0.221 4.681 4.460 0.001 0.000 0.361 568 C C 1.667 176.696 174.990 0.065 0.000 1.189 568 C CA -0.952 57.955 59.018 -0.185 0.000 2.155 568 C CB 1.049 28.489 27.740 -0.501 0.000 2.336 568 C HN 0.330 nan 8.230 nan 0.000 0.540 569 N N 0.031 118.816 118.700 0.141 0.000 2.446 569 N HA 0.023 4.764 4.740 0.001 0.000 0.179 569 N C -0.330 175.188 175.510 0.013 0.000 1.054 569 N CA 0.922 54.107 53.050 0.225 0.000 0.905 569 N CB -0.040 38.558 38.487 0.185 0.000 0.973 569 N HN 0.735 nan 8.380 nan 0.000 0.448 570 H N -1.135 118.117 119.070 0.304 0.000 2.996 570 H HA 0.364 4.920 4.556 0.001 0.000 0.368 570 H C -0.522 174.939 175.328 0.220 0.000 1.185 570 H CA -0.667 55.546 56.048 0.275 0.000 1.160 570 H CB 1.393 31.338 29.762 0.305 0.000 1.820 570 H HN -0.210 nan 8.280 nan 0.000 0.547 571 R N 1.768 122.411 120.500 0.239 0.000 2.210 571 R HA 0.379 4.719 4.340 0.001 0.000 0.338 571 R C -0.924 175.435 176.300 0.098 0.000 1.062 571 R CA -0.473 55.711 56.100 0.140 0.000 0.902 571 R CB 0.583 30.871 30.300 -0.021 0.000 1.050 571 R HN 0.223 nan 8.270 nan 0.000 0.461 572 V N 6.349 126.402 119.914 0.233 0.000 2.357 572 V HA 0.367 4.488 4.120 0.001 0.000 0.284 572 V C 0.177 176.374 176.094 0.172 0.000 1.018 572 V CA -0.621 61.803 62.300 0.206 0.000 0.841 572 V CB 1.549 33.568 31.823 0.327 0.000 0.991 572 V HN 0.624 nan 8.190 nan 0.000 0.437 573 I N 4.917 125.560 120.570 0.123 0.000 2.354 573 I HA 0.623 4.793 4.170 0.001 0.000 0.292 573 I C 0.205 176.539 176.117 0.362 0.000 0.989 573 I CA 0.112 61.448 61.300 0.059 0.000 1.188 573 I CB 1.860 39.756 38.000 -0.172 0.000 1.342 573 I HN 0.748 nan 8.210 nan 0.000 0.457 574 S N 5.989 121.917 115.700 0.379 0.000 2.588 574 S HA 0.636 5.106 4.470 0.001 0.000 0.275 574 S C -0.958 173.920 174.600 0.464 0.000 1.130 574 S CA -0.917 57.547 58.200 0.439 0.000 0.855 574 S CB 2.099 65.442 63.200 0.238 0.000 1.116 574 S HN 0.459 nan 8.310 nan 0.000 0.472 575 L N 1.658 123.026 121.223 0.243 0.000 2.290 575 L HA 0.407 4.747 4.340 0.001 0.000 0.284 575 L C -0.179 176.763 176.870 0.120 0.000 1.078 575 L CA 0.094 55.054 54.840 0.200 0.000 0.815 575 L CB 0.771 42.722 42.059 -0.180 0.000 1.162 575 L HN 0.768 nan 8.230 nan 0.000 0.435 576 Q N 5.351 125.254 119.800 0.171 0.000 2.472 576 Q HA 0.448 4.788 4.340 0.001 0.000 0.227 576 Q C -0.033 175.990 176.000 0.038 0.000 1.156 576 Q CA -0.437 55.383 55.803 0.029 0.000 0.924 576 Q CB 0.786 29.529 28.738 0.009 0.000 1.354 576 Q HN 0.845 nan 8.270 nan 0.000 0.525 577 A N 2.837 125.629 122.820 -0.046 0.000 2.445 577 A HA 0.085 4.406 4.320 0.001 0.000 0.242 577 A C 0.112 177.351 177.584 -0.575 0.000 1.075 577 A CA -0.255 51.679 52.037 -0.172 0.000 0.777 577 A CB 0.356 19.295 19.000 -0.103 0.000 1.013 577 A HN 0.632 nan 8.150 nan 0.000 0.493 578 K N 2.167 121.718 120.400 -1.415 0.000 2.278 578 K HA 0.207 4.527 4.320 0.001 0.000 0.289 578 K C 0.380 176.676 176.600 -0.507 0.000 1.080 578 K CA -0.444 55.218 56.287 -1.041 0.000 0.934 578 K CB -0.260 31.321 32.500 -1.532 0.000 1.093 578 K HN 0.726 nan 8.250 nan 0.000 0.459 579 C N 4.505 123.673 119.300 -0.220 0.000 2.476 579 C HA 0.061 4.522 4.460 0.001 0.000 0.278 579 C C 1.276 176.270 174.990 0.007 0.000 1.274 579 C CA -0.142 58.852 59.018 -0.039 0.000 1.713 579 C CB -0.846 26.969 27.740 0.124 0.000 2.039 579 C HN 0.846 nan 8.230 nan 0.000 0.484 580 I N -2.746 117.835 120.570 0.018 0.000 3.174 580 I HA 0.576 4.746 4.170 0.001 0.000 0.313 580 I C -1.014 175.120 176.117 0.028 0.000 1.155 580 I CA -0.701 60.632 61.300 0.055 0.000 0.977 580 I CB 1.029 39.105 38.000 0.126 0.000 1.248 580 I HN -0.184 nan 8.210 nan 0.000 0.453 581 E N 2.108 122.341 120.200 0.056 0.000 2.331 581 E HA 0.354 4.704 4.350 0.001 0.000 0.272 581 E C -2.381 174.251 176.600 0.055 0.000 1.036 581 E CA -1.606 54.824 56.400 0.050 0.000 0.864 581 E CB 0.399 30.137 29.700 0.063 0.000 1.035 581 E HN 0.400 nan 8.360 nan 0.000 0.408 582 P HA -0.109 nan 4.420 nan 0.000 0.261 582 P C -0.468 176.865 177.300 0.055 0.000 1.165 582 P CA 0.320 63.443 63.100 0.038 0.000 0.759 582 P CB 0.337 32.059 31.700 0.037 0.000 0.772 583 V N 4.193 124.132 119.914 0.042 0.000 2.572 583 V HA 0.355 4.476 4.120 0.001 0.000 0.291 583 V C 1.390 177.515 176.094 0.051 0.000 1.039 583 V CA 1.237 63.575 62.300 0.063 0.000 1.055 583 V CB -0.109 31.746 31.823 0.054 0.000 0.969 583 V HN 1.071 nan 8.190 nan 0.000 0.482 584 G N 4.750 113.591 108.800 0.068 0.000 2.566 584 G HA2 -0.299 3.662 3.960 0.001 0.000 0.280 584 G HA3 -0.299 3.662 3.960 0.001 0.000 0.280 584 G C 0.422 175.396 174.900 0.123 0.000 1.225 584 G CA 0.598 45.745 45.100 0.078 0.000 0.966 584 G HN 0.747 nan 8.290 nan 0.000 0.560 585 E N 0.817 121.119 120.200 0.170 0.000 2.394 585 E HA 0.399 4.750 4.350 0.001 0.000 0.191 585 E C 1.266 178.103 176.600 0.396 0.000 1.044 585 E CA 0.466 57.038 56.400 0.286 0.000 0.939 585 E CB -0.109 29.788 29.700 0.328 0.000 1.089 585 E HN 0.697 nan 8.360 nan 0.000 0.456 586 S N 0.502 116.338 115.700 0.228 0.000 2.624 586 S HA 0.500 4.970 4.470 0.001 0.000 0.263 586 S C 0.121 174.812 174.600 0.151 0.000 1.287 586 S CA -0.696 57.641 58.200 0.228 0.000 0.990 586 S CB 1.036 64.266 63.200 0.051 0.000 0.950 586 S HN 0.263 nan 8.310 nan 0.000 0.561 587 M N -0.233 119.420 119.600 0.087 0.000 2.603 587 M HA 0.496 4.977 4.480 0.001 0.000 0.275 587 M C -0.581 175.699 176.300 -0.033 0.000 1.226 587 M CA -0.919 54.350 55.300 -0.051 0.000 0.870 587 M CB 1.664 34.095 32.600 -0.282 0.000 1.716 587 M HN 0.746 nan 8.290 nan 0.000 0.482 588 S N -0.132 115.570 115.700 0.003 0.000 2.568 588 S HA 0.075 4.545 4.470 0.001 0.000 0.282 588 S C 0.366 174.993 174.600 0.045 0.000 1.338 588 S CA 0.113 58.352 58.200 0.065 0.000 1.045 588 S CB 0.438 63.733 63.200 0.158 0.000 0.873 588 S HN 0.768 nan 8.310 nan 0.000 0.516 589 D N 0.968 121.413 120.400 0.075 0.000 2.190 589 D HA -0.184 4.457 4.640 0.001 0.000 0.200 589 D C 1.348 177.665 176.300 0.029 0.000 0.992 589 D CA 1.777 55.772 54.000 -0.007 0.000 0.854 589 D CB -0.202 40.747 40.800 0.250 0.000 0.936 589 D HN 0.846 nan 8.370 nan 0.000 0.462 590 Y N 1.873 122.278 120.300 0.175 0.000 2.163 590 Y HA -0.172 4.378 4.550 0.001 0.000 0.288 590 Y C 2.283 178.329 175.900 0.244 0.000 1.136 590 Y CA 1.394 59.685 58.100 0.319 0.000 1.147 590 Y CB 0.130 38.764 38.460 0.289 0.000 0.987 590 Y HN -0.209 nan 8.280 nan 0.000 0.509 591 E N 0.421 120.718 120.200 0.161 0.000 2.204 591 E HA -0.165 4.185 4.350 0.001 0.000 0.194 591 E C 2.286 178.783 176.600 -0.171 0.000 0.989 591 E CA 1.242 57.646 56.400 0.007 0.000 0.824 591 E CB -0.229 29.480 29.700 0.015 0.000 0.756 591 E HN 0.627 nan 8.360 nan 0.000 0.477 592 I N -0.184 120.248 120.570 -0.231 0.000 2.202 592 I HA -0.277 3.893 4.170 0.001 0.000 0.242 592 I C 2.084 178.094 176.117 -0.179 0.000 1.091 592 I CA 1.156 62.288 61.300 -0.279 0.000 1.368 592 I CB -0.345 37.511 38.000 -0.239 0.000 1.058 592 I HN 0.115 nan 8.210 nan 0.000 0.410 593 Y N 0.194 120.356 120.300 -0.230 0.000 2.352 593 Y HA -0.174 4.377 4.550 0.001 0.000 0.292 593 Y C 2.763 178.304 175.900 -0.598 0.000 1.136 593 Y CA 0.571 58.247 58.100 -0.707 0.000 1.227 593 Y CB -0.163 37.687 38.460 -1.017 0.000 0.991 593 Y HN 0.061 nan 8.280 nan 0.000 0.545 594 R N 0.315 120.706 120.500 -0.182 0.000 2.115 594 R HA -0.150 4.190 4.340 0.001 0.000 0.226 594 R C 2.097 178.399 176.300 0.004 0.000 1.100 594 R CA 0.955 57.052 56.100 -0.005 0.000 0.980 594 R CB -0.268 30.041 30.300 0.015 0.000 0.875 594 R HN 0.330 nan 8.270 nan 0.000 0.445 595 L N -0.111 121.063 121.223 -0.082 0.000 2.109 595 L HA 0.008 4.349 4.340 0.001 0.000 0.207 595 L C 1.520 178.331 176.870 -0.098 0.000 1.086 595 L CA 1.645 56.411 54.840 -0.124 0.000 0.760 595 L CB -0.532 41.369 42.059 -0.263 0.000 0.910 595 L HN 0.092 nan 8.230 nan 0.000 0.437 596 F N -0.032 119.897 119.950 -0.036 0.000 2.146 596 F HA -0.101 4.426 4.527 0.001 0.000 0.298 596 F C 2.533 178.429 175.800 0.159 0.000 1.096 596 F CA 1.357 59.403 58.000 0.076 0.000 1.275 596 F CB -0.649 38.390 39.000 0.064 0.000 1.008 596 F HN 0.202 nan 8.300 nan 0.000 0.480 597 A N 0.055 123.064 122.820 0.316 0.000 1.892 597 A HA -0.300 4.020 4.320 0.001 0.000 0.218 597 A C 2.191 179.904 177.584 0.214 0.000 1.188 597 A CA 2.142 54.349 52.037 0.283 0.000 0.631 597 A CB -0.856 18.274 19.000 0.217 0.000 0.822 597 A HN 0.367 nan 8.150 nan 0.000 0.447 598 K N -0.150 120.347 120.400 0.162 0.000 2.032 598 K HA -0.185 4.135 4.320 0.001 0.000 0.209 598 K C 1.909 178.577 176.600 0.112 0.000 1.048 598 K CA 1.850 58.210 56.287 0.122 0.000 0.927 598 K CB -0.185 32.363 32.500 0.081 0.000 0.712 598 K HN 0.466 nan 8.250 nan 0.000 0.441 599 K N 0.205 120.675 120.400 0.117 0.000 2.288 599 K HA -0.023 4.298 4.320 0.001 0.000 0.201 599 K C 1.658 178.347 176.600 0.149 0.000 1.048 599 K CA 0.624 56.980 56.287 0.115 0.000 0.956 599 K CB 0.140 32.697 32.500 0.096 0.000 0.746 599 K HN 0.212 nan 8.250 nan 0.000 0.461 600 L N 0.688 122.025 121.223 0.191 0.000 2.592 600 L HA 0.063 4.403 4.340 0.001 0.000 0.227 600 L C 0.179 177.121 176.870 0.120 0.000 1.127 600 L CA -0.201 54.740 54.840 0.169 0.000 0.884 600 L CB -0.291 41.895 42.059 0.212 0.000 1.065 600 L HN 0.261 nan 8.230 nan 0.000 0.457 601 N N 1.308 120.078 118.700 0.118 0.000 2.776 601 N HA -0.232 4.509 4.740 0.001 0.000 0.249 601 N C 0.115 175.685 175.510 0.100 0.000 1.111 601 N CA 1.033 54.142 53.050 0.097 0.000 0.711 601 N CB -1.176 37.357 38.487 0.076 0.000 1.065 601 N HN 0.594 nan 8.380 nan 0.000 0.556 602 I N -3.719 116.928 120.570 0.130 0.000 3.171 602 I HA 0.302 4.473 4.170 0.001 0.000 0.329 602 I C 1.113 177.356 176.117 0.211 0.000 1.522 602 I CA -0.660 60.724 61.300 0.141 0.000 0.948 602 I CB 0.401 38.469 38.000 0.114 0.000 1.527 602 I HN 0.083 nan 8.210 nan 0.000 0.547 603 E N 1.964 122.286 120.200 0.203 0.000 2.077 603 E HA -0.277 4.073 4.350 0.001 0.000 0.193 603 E C 1.879 178.635 176.600 0.260 0.000 0.989 603 E CA 1.848 58.401 56.400 0.256 0.000 0.800 603 E CB 0.288 30.103 29.700 0.192 0.000 0.746 603 E HN 0.589 nan 8.360 nan 0.000 0.452 604 E N 0.368 120.678 120.200 0.183 0.000 2.038 604 E HA -0.219 4.132 4.350 0.001 0.000 0.195 604 E C 1.879 178.586 176.600 0.179 0.000 1.000 604 E CA 1.863 58.356 56.400 0.156 0.000 0.803 604 E CB -0.169 29.594 29.700 0.105 0.000 0.750 604 E HN 0.248 nan 8.360 nan 0.000 0.448 605 M N -0.581 119.123 119.600 0.173 0.000 2.117 605 M HA -0.003 4.478 4.480 0.001 0.000 0.262 605 M C 2.016 178.473 176.300 0.261 0.000 1.065 605 M CA 1.393 56.796 55.300 0.172 0.000 1.114 605 M CB -0.764 31.909 32.600 0.123 0.000 1.361 605 M HN 0.227 nan 8.290 nan 0.000 0.408 606 F N 0.498 120.559 119.950 0.184 0.000 2.128 606 F HA -0.143 4.385 4.527 0.001 0.000 0.295 606 F C 2.592 178.612 175.800 0.367 0.000 1.100 606 F CA 1.718 59.857 58.000 0.232 0.000 1.260 606 F CB -0.579 38.551 39.000 0.217 0.000 1.009 606 F HN 0.251 nan 8.300 nan 0.000 0.476 607 S N -0.704 115.123 115.700 0.211 0.000 2.439 607 S HA -0.031 4.439 4.470 0.001 0.000 0.224 607 S C 0.917 175.707 174.600 0.316 0.000 1.029 607 S CA 0.651 59.015 58.200 0.273 0.000 0.946 607 S CB -0.520 62.892 63.200 0.354 0.000 0.797 607 S HN 0.556 nan 8.310 nan 0.000 0.504 608 E N 0.492 120.824 120.200 0.221 0.000 2.722 608 E HA -0.208 4.142 4.350 0.001 0.000 0.265 608 E C 0.779 177.385 176.600 0.011 0.000 1.081 608 E CA 0.279 56.748 56.400 0.114 0.000 0.781 608 E CB -2.215 27.535 29.700 0.083 0.000 1.372 608 E HN 1.016 nan 8.360 nan 0.000 0.423 609 G N 0.201 109.047 108.800 0.075 0.000 2.166 609 G HA2 -0.384 3.576 3.960 0.001 0.000 0.260 609 G HA3 -0.384 3.576 3.960 0.001 0.000 0.260 609 G C 0.112 175.006 174.900 -0.010 0.000 0.986 609 G CA 1.222 46.347 45.100 0.042 0.000 0.683 609 G HN 0.311 nan 8.290 nan 0.000 0.527 610 K N 0.869 121.238 120.400 -0.052 0.000 2.164 610 K HA 0.563 4.884 4.320 0.001 0.000 0.258 610 K C -0.135 176.542 176.600 0.128 0.000 0.951 610 K CA -0.447 55.734 56.287 -0.177 0.000 0.844 610 K CB 1.305 33.323 32.500 -0.803 0.000 1.099 610 K HN 0.342 nan 8.250 nan 0.000 0.435 611 D N 0.129 120.587 120.400 0.098 0.000 2.478 611 D HA 0.071 4.712 4.640 0.001 0.000 0.263 611 D C 0.498 176.849 176.300 0.084 0.000 1.153 611 D CA -0.616 53.517 54.000 0.223 0.000 1.038 611 D CB 0.509 41.422 40.800 0.188 0.000 1.120 611 D HN 0.500 nan 8.370 nan 0.000 0.564 612 E N -1.168 119.026 120.200 -0.011 0.000 2.114 612 E HA -0.190 4.160 4.350 0.001 0.000 0.199 612 E C 1.737 178.395 176.600 0.097 0.000 1.008 612 E CA 0.890 57.261 56.400 -0.049 0.000 0.810 612 E CB -0.154 29.596 29.700 0.083 0.000 0.739 612 E HN 0.296 nan 8.360 nan 0.000 0.456 613 L N 0.402 121.675 121.223 0.083 0.000 2.093 613 L HA -0.065 4.276 4.340 0.001 0.000 0.208 613 L C 2.126 178.930 176.870 -0.110 0.000 1.085 613 L CA 1.736 56.571 54.840 -0.008 0.000 0.755 613 L CB -0.564 41.353 42.059 -0.236 0.000 0.904 613 L HN 0.058 nan 8.230 nan 0.000 0.435 614 A N -1.847 120.890 122.820 -0.137 0.000 1.969 614 A HA -0.217 4.103 4.320 0.001 0.000 0.218 614 A C 2.095 179.520 177.584 -0.266 0.000 1.169 614 A CA 1.405 53.285 52.037 -0.262 0.000 0.635 614 A CB -1.135 17.701 19.000 -0.274 0.000 0.810 614 A HN 0.611 nan 8.150 nan 0.000 0.445 615 W N -0.770 120.422 121.300 -0.180 0.000 2.388 615 W HA -0.145 4.515 4.660 0.001 0.000 0.294 615 W C 2.516 178.975 176.519 -0.100 0.000 1.212 615 W CA 0.901 58.163 57.345 -0.138 0.000 1.271 615 W CB -0.400 28.964 29.460 -0.159 0.000 1.126 615 W HN 0.348 nan 8.180 nan 0.000 0.535 616 C N -0.738 118.626 119.300 0.107 0.000 2.429 616 C HA -0.194 4.266 4.460 0.001 0.000 0.277 616 C C 2.521 177.396 174.990 -0.191 0.000 1.262 616 C CA 1.370 60.435 59.018 0.078 0.000 1.733 616 C CB -1.179 26.688 27.740 0.211 0.000 2.010 616 C HN 0.400 nan 8.230 nan 0.000 0.483 617 E N 0.327 120.081 120.200 -0.743 0.000 2.077 617 E HA -0.271 4.079 4.350 0.001 0.000 0.193 617 E C 2.275 178.642 176.600 -0.388 0.000 0.989 617 E CA 1.095 56.766 56.400 -1.215 0.000 0.800 617 E CB -0.276 28.589 29.700 -1.392 0.000 0.746 617 E HN 0.677 nan 8.360 nan 0.000 0.452 618 Q N -0.609 119.053 119.800 -0.230 0.000 2.124 618 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 618 Q C 1.912 177.936 176.000 0.040 0.000 0.977 618 Q CA 1.430 57.164 55.803 -0.115 0.000 0.850 618 Q CB -0.165 28.479 28.738 -0.155 0.000 0.901 618 Q HN 0.430 nan 8.270 nan 0.000 0.429 619 Y N -0.084 120.247 120.300 0.052 0.000 2.163 619 Y HA -0.262 4.288 4.550 0.001 0.000 0.288 619 Y C 1.918 177.917 175.900 0.165 0.000 1.136 619 Y CA 1.875 60.078 58.100 0.172 0.000 1.147 619 Y CB -0.461 38.111 38.460 0.187 0.000 0.987 619 Y HN 0.231 nan 8.280 nan 0.000 0.509 620 F N 1.442 121.561 119.950 0.281 0.000 2.091 620 F HA -0.330 4.197 4.527 0.001 0.000 0.299 620 F C 1.961 177.828 175.800 0.112 0.000 1.103 620 F CA 2.214 60.371 58.000 0.261 0.000 1.228 620 F CB -0.527 38.706 39.000 0.388 0.000 0.984 620 F HN 0.079 nan 8.300 nan 0.000 0.477 621 N N 0.403 119.276 118.700 0.288 0.000 2.550 621 N HA -0.029 4.711 4.740 0.001 0.000 0.186 621 N C 1.401 176.886 175.510 -0.041 0.000 1.110 621 N CA 0.944 54.070 53.050 0.127 0.000 0.912 621 N CB -0.296 38.250 38.487 0.098 0.000 0.968 621 N HN 0.403 nan 8.380 nan 0.000 0.448 622 A N 0.202 122.968 122.820 -0.090 0.000 2.307 622 A HA 0.093 4.413 4.320 0.001 0.000 0.218 622 A C 1.245 178.796 177.584 -0.055 0.000 1.228 622 A CA 0.100 52.042 52.037 -0.158 0.000 0.857 622 A CB -0.116 18.668 19.000 -0.360 0.000 0.897 622 A HN 0.318 nan 8.150 nan 0.000 0.495 623 T N -4.373 110.101 114.554 -0.134 0.000 2.844 623 T HA 0.403 4.754 4.350 0.001 0.000 0.274 623 T C 0.156 174.763 174.700 -0.155 0.000 0.991 623 T CA -0.064 61.925 62.100 -0.185 0.000 0.983 623 T CB 0.872 69.475 68.868 -0.443 0.000 1.310 623 T HN -0.069 nan 8.240 nan 0.000 0.596 624 D N -0.301 119.962 120.400 -0.229 0.000 2.323 624 D HA 0.096 4.737 4.640 0.001 0.000 0.209 624 D C 1.981 178.282 176.300 0.001 0.000 0.973 624 D CA 0.248 54.120 54.000 -0.214 0.000 0.874 624 D CB -0.174 40.270 40.800 -0.592 0.000 0.930 624 D HN 0.288 nan 8.370 nan 0.000 0.521 625 M N 0.477 120.075 119.600 -0.002 0.000 2.146 625 M HA -0.160 4.320 4.480 0.001 0.000 0.256 625 M C -0.875 175.383 176.300 -0.069 0.000 1.075 625 M CA 1.556 56.836 55.300 -0.034 0.000 1.082 625 M CB -2.018 30.149 32.600 -0.723 0.000 1.355 625 M HN -0.016 nan 8.290 nan 0.000 0.402 626 P HA -0.156 nan 4.420 nan 0.000 0.223 626 P C 1.037 178.362 177.300 0.043 0.000 1.144 626 P CA 1.196 64.345 63.100 0.082 0.000 0.783 626 P CB -0.182 31.562 31.700 0.073 0.000 0.771 627 K N -2.292 118.099 120.400 -0.014 0.000 2.288 627 K HA -0.069 4.251 4.320 0.001 0.000 0.201 627 K C 1.365 177.813 176.600 -0.253 0.000 1.048 627 K CA 1.141 57.341 56.287 -0.146 0.000 0.956 627 K CB -0.175 32.190 32.500 -0.226 0.000 0.746 627 K HN 0.325 nan 8.250 nan 0.000 0.461 628 Y N -0.178 120.136 120.300 0.023 0.000 2.559 628 Y HA 0.218 4.768 4.550 0.001 0.000 0.279 628 Y C 1.031 176.881 175.900 -0.083 0.000 1.117 628 Y CA -0.407 57.662 58.100 -0.052 0.000 1.263 628 Y CB 0.724 39.058 38.460 -0.210 0.000 1.230 628 Y HN -0.056 nan 8.280 nan 0.000 0.528 629 M N -0.893 118.760 119.600 0.089 0.000 2.643 629 M HA 0.426 4.907 4.480 0.001 0.000 0.276 629 M C -0.772 175.682 176.300 0.255 0.000 1.200 629 M CA -0.868 54.503 55.300 0.119 0.000 0.863 629 M CB 1.785 34.415 32.600 0.049 0.000 1.711 629 M HN -0.023 nan 8.290 nan 0.000 0.492 630 T N -1.824 112.846 114.554 0.193 0.000 2.754 630 T HA 0.148 4.498 4.350 0.001 0.000 0.286 630 T C 0.761 175.517 174.700 0.093 0.000 0.997 630 T CA -0.377 61.849 62.100 0.211 0.000 0.982 630 T CB 1.074 70.015 68.868 0.121 0.000 1.027 630 T HN 0.935 nan 8.240 nan 0.000 0.529 631 W N 0.832 122.007 121.300 -0.207 0.000 2.363 631 W HA -0.125 4.535 4.660 0.001 0.000 0.296 631 W C 0.735 177.140 176.519 -0.191 0.000 1.212 631 W CA 1.679 58.693 57.345 -0.552 0.000 1.260 631 W CB -0.384 28.829 29.460 -0.411 0.000 1.131 631 W HN 0.694 nan 8.180 nan 0.000 0.530 632 D N 0.392 120.643 120.400 -0.248 0.000 2.183 632 D HA -0.140 4.500 4.640 0.001 0.000 0.203 632 D C 1.942 178.140 176.300 -0.169 0.000 0.969 632 D CA 1.534 55.375 54.000 -0.266 0.000 0.842 632 D CB -0.452 40.291 40.800 -0.094 0.000 0.957 632 D HN 0.380 nan 8.370 nan 0.000 0.484 633 E N -0.356 119.791 120.200 -0.087 0.000 2.107 633 E HA -0.115 4.235 4.350 0.001 0.000 0.191 633 E C 1.719 178.289 176.600 -0.050 0.000 0.982 633 E CA 0.354 56.732 56.400 -0.038 0.000 0.809 633 E CB -0.132 29.579 29.700 0.019 0.000 0.756 633 E HN 0.232 nan 8.360 nan 0.000 0.459 634 F N 0.994 120.811 119.950 -0.222 0.000 2.113 634 F HA -0.164 4.363 4.527 0.001 0.000 0.297 634 F C 1.989 177.618 175.800 -0.285 0.000 1.103 634 F CA 1.099 58.971 58.000 -0.213 0.000 1.248 634 F CB -0.422 38.453 39.000 -0.209 0.000 0.999 634 F HN -0.048 nan 8.300 nan 0.000 0.475 635 F N 1.484 120.963 119.950 -0.786 0.000 2.120 635 F HA -0.242 4.285 4.527 0.001 0.000 0.300 635 F C 2.552 178.050 175.800 -0.504 0.000 1.095 635 F CA 2.448 59.947 58.000 -0.835 0.000 1.249 635 F CB -0.554 37.875 39.000 -0.952 0.000 0.995 635 F HN 0.016 nan 8.300 nan 0.000 0.480 636 K N 0.392 120.672 120.400 -0.200 0.000 2.057 636 K HA -0.226 4.095 4.320 0.001 0.000 0.206 636 K C 2.354 178.820 176.600 -0.223 0.000 1.050 636 K CA 1.558 57.755 56.287 -0.150 0.000 0.935 636 K CB -0.261 32.205 32.500 -0.058 0.000 0.715 636 K HN 0.233 nan 8.250 nan 0.000 0.439 637 K N -1.106 119.146 120.400 -0.246 0.000 2.057 637 K HA -0.114 4.206 4.320 0.001 0.000 0.206 637 K C 1.231 177.694 176.600 -0.227 0.000 1.050 637 K CA 1.614 57.774 56.287 -0.212 0.000 0.935 637 K CB 0.024 32.409 32.500 -0.192 0.000 0.715 637 K HN 0.465 nan 8.250 nan 0.000 0.439 638 G N -0.367 108.161 108.800 -0.453 0.000 2.420 638 G HA2 -0.302 3.658 3.960 0.001 0.000 0.221 638 G HA3 -0.302 3.658 3.960 0.001 0.000 0.221 638 G C -0.021 174.761 174.900 -0.197 0.000 1.117 638 G CA 0.498 45.387 45.100 -0.352 0.000 0.657 638 G HN 0.506 nan 8.290 nan 0.000 0.512 639 Y N -1.555 118.670 120.300 -0.124 0.000 2.562 639 Y HA 0.803 5.354 4.550 0.001 0.000 0.345 639 Y C -1.296 174.757 175.900 0.256 0.000 1.045 639 Y CA -2.257 55.898 58.100 0.092 0.000 1.028 639 Y CB 1.355 39.845 38.460 0.050 0.000 1.297 639 Y HN 0.567 nan 8.280 nan 0.000 0.463 640 F N 3.030 123.038 119.950 0.096 0.000 2.529 640 F HA 0.716 5.244 4.527 0.001 0.000 0.320 640 F C -1.731 174.012 175.800 -0.095 0.000 1.118 640 F CA -1.427 56.531 58.000 -0.071 0.000 0.915 640 F CB 1.958 41.013 39.000 0.091 0.000 1.161 640 F HN 0.494 nan 8.300 nan 0.000 0.445 641 V N 6.845 126.182 119.914 -0.963 0.000 2.333 641 V HA 0.255 4.376 4.120 0.001 0.000 0.274 641 V C -0.320 175.002 176.094 -1.286 0.000 1.028 641 V CA -0.823 60.962 62.300 -0.858 0.000 0.851 641 V CB 1.064 32.399 31.823 -0.813 0.000 1.000 641 V HN 0.592 nan 8.190 nan 0.000 0.456 642 V N 8.721 128.087 119.914 -0.913 0.000 2.540 642 V HA 0.096 4.216 4.120 0.001 0.000 0.297 642 V C -1.746 174.001 176.094 -0.577 0.000 1.024 642 V CA -0.973 60.812 62.300 -0.859 0.000 1.105 642 V CB 0.397 31.869 31.823 -0.586 0.000 0.938 642 V HN 0.744 nan 8.190 nan 0.000 0.482 643 P HA 0.073 nan 4.420 nan 0.000 0.269 643 P C -0.428 176.806 177.300 -0.109 0.000 1.217 643 P CA -0.170 62.759 63.100 -0.285 0.000 0.783 643 P CB 0.413 31.981 31.700 -0.219 0.000 0.898 644 D N 0.879 121.269 120.400 -0.016 0.000 2.329 644 D HA 0.094 4.734 4.640 0.001 0.000 0.246 644 D C -0.234 176.105 176.300 0.065 0.000 1.111 644 D CA -0.066 53.971 54.000 0.061 0.000 0.941 644 D CB 0.194 41.062 40.800 0.113 0.000 1.169 644 D HN 0.093 nan 8.370 nan 0.000 0.441 645 N N 2.120 120.862 118.700 0.069 0.000 2.844 645 N HA 0.305 5.046 4.740 0.001 0.000 0.268 645 N C -2.314 173.230 175.510 0.057 0.000 1.574 645 N CA -1.790 51.305 53.050 0.074 0.000 0.838 645 N CB 1.107 39.646 38.487 0.086 0.000 1.177 645 N HN 0.135 nan 8.380 nan 0.000 0.495 646 P HA -0.043 nan 4.420 nan 0.000 0.220 646 P C 0.581 177.910 177.300 0.049 0.000 1.144 646 P CA 1.042 64.179 63.100 0.062 0.000 0.800 646 P CB 0.415 32.156 31.700 0.068 0.000 0.772 647 N N -1.013 117.717 118.700 0.050 0.000 2.388 647 N HA 0.010 4.751 4.740 0.001 0.000 0.176 647 N C 0.707 176.244 175.510 0.045 0.000 1.062 647 N CA 0.071 53.149 53.050 0.046 0.000 0.895 647 N CB -0.169 38.346 38.487 0.047 0.000 1.018 647 N HN 0.303 nan 8.380 nan 0.000 0.456 648 R N 2.644 123.174 120.500 0.050 0.000 2.638 648 R HA -0.004 4.337 4.340 0.001 0.000 0.268 648 R C 0.158 176.488 176.300 0.051 0.000 1.006 648 R CA -0.115 56.019 56.100 0.056 0.000 1.088 648 R CB 0.166 30.507 30.300 0.069 0.000 0.950 648 R HN 0.027 nan 8.270 nan 0.000 0.419 649 K N 2.501 122.934 120.400 0.055 0.000 2.326 649 K HA 0.120 4.440 4.320 0.001 0.000 0.275 649 K C -0.703 175.939 176.600 0.071 0.000 1.018 649 K CA -0.568 55.752 56.287 0.054 0.000 0.962 649 K CB 0.802 33.331 32.500 0.048 0.000 0.953 649 K HN 0.361 nan 8.250 nan 0.000 0.475 650 K N 2.411 122.851 120.400 0.068 0.000 2.205 650 K HA 0.136 4.456 4.320 0.001 0.000 0.279 650 K C -0.360 176.301 176.600 0.102 0.000 1.027 650 K CA -0.431 55.910 56.287 0.090 0.000 0.932 650 K CB 1.389 33.927 32.500 0.062 0.000 1.032 650 K HN 0.891 nan 8.250 nan 0.000 0.466 651 T N -1.620 113.015 114.554 0.135 0.000 3.064 651 T HA 0.285 4.635 4.350 0.001 0.000 0.367 651 T C 0.023 174.821 174.700 0.163 0.000 1.202 651 T CA -0.829 61.349 62.100 0.129 0.000 1.133 651 T CB 0.253 69.170 68.868 0.081 0.000 1.074 651 T HN 0.097 nan 8.240 nan 0.000 0.519 652 V N 3.199 123.202 119.914 0.147 0.000 2.655 652 V HA 0.472 4.592 4.120 0.001 0.000 0.300 652 V C 1.406 177.604 176.094 0.174 0.000 1.044 652 V CA -0.494 61.886 62.300 0.133 0.000 1.095 652 V CB 0.204 32.073 31.823 0.077 0.000 0.952 652 V HN 1.154 nan 8.190 nan 0.000 0.485 653 A N 5.405 128.331 122.820 0.176 0.000 2.580 653 A HA 0.226 4.546 4.320 0.001 0.000 0.244 653 A C 1.122 178.767 177.584 0.101 0.000 1.045 653 A CA 0.320 52.476 52.037 0.199 0.000 0.761 653 A CB -0.715 18.358 19.000 0.122 0.000 0.962 653 A HN 1.283 nan 8.150 nan 0.000 0.512 654 L N -0.207 121.036 121.223 0.035 0.000 4.739 654 L HA -0.319 4.021 4.340 0.001 0.000 0.437 654 L C 2.033 178.731 176.870 -0.287 0.000 1.117 654 L CA 1.327 55.989 54.840 -0.297 0.000 0.970 654 L CB -1.235 40.780 42.059 -0.073 0.000 1.965 654 L HN 0.960 nan 8.230 nan 0.000 0.872 655 R N 1.057 121.501 120.500 -0.095 0.000 2.115 655 R HA -0.154 4.186 4.340 0.001 0.000 0.230 655 R C 2.225 178.526 176.300 0.001 0.000 1.111 655 R CA 1.994 58.089 56.100 -0.009 0.000 0.976 655 R CB -0.185 30.157 30.300 0.069 0.000 0.870 655 R HN 0.757 nan 8.270 nan 0.000 0.445 656 W N -0.384 120.990 121.300 0.123 0.000 2.363 656 W HA -0.194 4.466 4.660 0.001 0.000 0.296 656 W C 1.451 178.054 176.519 0.140 0.000 1.212 656 W CA 0.190 57.594 57.345 0.098 0.000 1.260 656 W CB -1.184 28.321 29.460 0.075 0.000 1.131 656 W HN 0.034 nan 8.180 nan 0.000 0.530 657 F N 2.875 122.350 119.950 -0.793 0.000 2.128 657 F HA 0.110 4.637 4.527 0.001 0.000 0.295 657 F C 2.630 178.271 175.800 -0.265 0.000 1.100 657 F CA 2.440 60.039 58.000 -0.669 0.000 1.260 657 F CB -0.916 37.431 39.000 -1.087 0.000 1.009 657 F HN -0.108 nan 8.300 nan 0.000 0.476 658 A N -0.129 122.552 122.820 -0.233 0.000 1.972 658 A HA -0.166 4.154 4.320 0.001 0.000 0.219 658 A C 1.930 179.430 177.584 -0.140 0.000 1.169 658 A CA 1.744 53.717 52.037 -0.106 0.000 0.635 658 A CB -0.769 18.335 19.000 0.173 0.000 0.810 658 A HN 0.587 nan 8.150 nan 0.000 0.446 659 E N -1.150 119.001 120.200 -0.082 0.000 2.465 659 E HA 0.280 4.631 4.350 0.001 0.000 0.191 659 E C 0.864 177.438 176.600 -0.043 0.000 1.053 659 E CA 0.119 56.496 56.400 -0.038 0.000 0.869 659 E CB -0.101 29.612 29.700 0.022 0.000 0.977 659 E HN 0.665 nan 8.360 nan 0.000 0.483 660 G N 3.025 111.766 108.800 -0.099 0.000 2.305 660 G HA2 -0.347 3.613 3.960 0.001 0.000 0.287 660 G HA3 -0.347 3.613 3.960 0.001 0.000 0.287 660 G C 0.184 175.116 174.900 0.054 0.000 1.036 660 G CA 1.099 46.166 45.100 -0.056 0.000 0.887 660 G HN 0.367 nan 8.290 nan 0.000 0.505 661 R N -1.541 119.046 120.500 0.145 0.000 3.029 661 R HA 0.750 5.090 4.340 0.001 0.000 0.239 661 R C -0.380 176.054 176.300 0.224 0.000 1.351 661 R CA -1.105 55.084 56.100 0.148 0.000 1.052 661 R CB 0.964 31.334 30.300 0.116 0.000 1.354 661 R HN 0.096 nan 8.270 nan 0.000 0.499 662 E N 1.704 121.964 120.200 0.100 0.000 2.413 662 E HA 0.000 4.351 4.350 0.001 0.000 0.263 662 E C -0.552 175.963 176.600 -0.142 0.000 1.015 662 E CA -0.203 56.190 56.400 -0.012 0.000 0.916 662 E CB 0.555 30.212 29.700 -0.073 0.000 0.947 662 E HN 0.231 nan 8.360 nan 0.000 0.440 663 K N 3.423 123.480 120.400 -0.572 0.000 2.453 663 K HA -0.098 4.222 4.320 0.001 0.000 0.280 663 K C -0.412 175.748 176.600 -0.734 0.000 1.045 663 K CA 0.349 55.781 56.287 -1.425 0.000 1.059 663 K CB 0.294 31.856 32.500 -1.562 0.000 0.901 663 K HN 0.630 nan 8.250 nan 0.000 0.475 664 D N 1.814 121.864 120.400 -0.583 0.000 2.513 664 D HA -0.017 4.623 4.640 0.001 0.000 0.222 664 D C 0.314 176.498 176.300 -0.194 0.000 1.210 664 D CA -0.302 53.550 54.000 -0.246 0.000 0.825 664 D CB 0.082 40.845 40.800 -0.062 0.000 1.037 664 D HN 0.476 nan 8.370 nan 0.000 0.506 665 T N -2.681 111.713 114.554 -0.267 0.000 2.912 665 T HA 0.469 4.820 4.350 0.001 0.000 0.280 665 T C -2.020 172.447 174.700 -0.389 0.000 0.989 665 T CA -1.574 60.350 62.100 -0.293 0.000 0.995 665 T CB 1.861 70.577 68.868 -0.254 0.000 1.077 665 T HN -0.363 nan 8.240 nan 0.000 0.531 666 P HA 0.135 nan 4.420 nan 0.000 0.242 666 P C 0.027 177.259 177.300 -0.114 0.000 1.197 666 P CA 0.171 63.053 63.100 -0.363 0.000 0.765 666 P CB -0.164 31.296 31.700 -0.400 0.000 0.936 667 D N -1.108 119.194 120.400 -0.164 0.000 2.478 667 D HA -0.105 4.536 4.640 0.001 0.000 0.234 667 D C 0.182 176.606 176.300 0.206 0.000 1.154 667 D CA 0.137 54.284 54.000 0.245 0.000 0.874 667 D CB 0.288 41.313 40.800 0.375 0.000 1.198 667 D HN 0.021 nan 8.370 nan 0.000 0.455 668 W N 2.229 123.397 121.300 -0.220 0.000 3.434 668 W HA 0.390 5.050 4.660 0.001 0.000 0.297 668 W C 0.801 176.719 176.519 -1.001 0.000 1.295 668 W CA -0.352 56.714 57.345 -0.466 0.000 1.731 668 W CB -0.518 28.562 29.460 -0.632 0.000 1.070 668 W HN 0.359 nan 8.180 nan 0.000 0.726 669 G N -0.249 107.806 108.800 -1.243 0.000 2.623 669 G HA2 0.514 4.475 3.960 0.001 0.000 0.290 669 G HA3 0.514 4.475 3.960 0.001 0.000 0.290 669 G C -3.139 171.003 174.900 -1.264 0.000 1.437 669 G CA -1.175 42.618 45.100 -2.179 0.000 0.798 669 G HN -0.413 nan 8.290 nan 0.000 0.488 670 P HA 0.345 nan 4.420 nan 0.000 0.279 670 P C -0.414 176.569 177.300 -0.528 0.000 1.252 670 P CA -0.505 62.079 63.100 -0.861 0.000 0.811 670 P CB 1.409 32.966 31.700 -0.238 0.000 1.035 671 R N 0.845 121.129 120.500 -0.361 0.000 2.643 671 R HA 0.125 4.465 4.340 0.001 0.000 0.270 671 R C 1.823 178.017 176.300 -0.177 0.000 1.061 671 R CA -0.333 55.631 56.100 -0.227 0.000 1.107 671 R CB -0.012 30.210 30.300 -0.129 0.000 0.999 671 R HN 0.478 nan 8.270 nan 0.000 0.460 672 L N 2.235 123.359 121.223 -0.164 0.000 2.064 672 L HA -0.331 4.010 4.340 0.001 0.000 0.216 672 L C 1.858 178.669 176.870 -0.098 0.000 1.077 672 L CA 2.305 57.064 54.840 -0.136 0.000 0.766 672 L CB -0.729 41.252 42.059 -0.129 0.000 0.890 672 L HN 0.773 nan 8.230 nan 0.000 0.435 673 N N -0.901 117.751 118.700 -0.080 0.000 2.550 673 N HA -0.172 4.569 4.740 0.001 0.000 0.186 673 N C 0.895 176.380 175.510 -0.042 0.000 1.110 673 N CA 0.910 53.928 53.050 -0.053 0.000 0.912 673 N CB -0.361 38.102 38.487 -0.039 0.000 0.968 673 N HN 0.395 nan 8.380 nan 0.000 0.448 674 N N -0.555 118.113 118.700 -0.053 0.000 2.320 674 N HA 0.159 4.900 4.740 0.001 0.000 0.237 674 N C -0.968 174.523 175.510 -0.032 0.000 1.129 674 N CA -0.198 52.832 53.050 -0.034 0.000 0.854 674 N CB 0.367 38.837 38.487 -0.027 0.000 1.083 674 N HN 0.302 nan 8.380 nan 0.000 0.504 675 Q N -0.372 119.405 119.800 -0.039 0.000 2.482 675 Q HA 0.402 4.742 4.340 0.001 0.000 0.286 675 Q C -1.438 174.549 176.000 -0.021 0.000 1.007 675 Q CA -0.812 54.976 55.803 -0.025 0.000 0.801 675 Q CB 2.747 31.453 28.738 -0.053 0.000 1.455 675 Q HN -0.093 nan 8.270 nan 0.000 0.398 676 V N 1.140 121.052 119.914 -0.003 0.000 2.328 676 V HA 0.131 4.252 4.120 0.001 0.000 0.278 676 V C -0.030 176.059 176.094 -0.010 0.000 1.021 676 V CA -0.348 61.949 62.300 -0.006 0.000 0.838 676 V CB 0.993 32.820 31.823 0.006 0.000 0.999 676 V HN 1.073 nan 8.190 nan 0.000 0.447 677 C N 5.558 124.842 119.300 -0.027 0.000 4.350 677 C HA -0.147 4.314 4.460 0.001 0.000 0.302 677 C C 1.408 176.371 174.990 -0.044 0.000 1.390 677 C CA 0.849 59.847 59.018 -0.034 0.000 2.016 677 C CB -2.351 25.377 27.740 -0.020 0.000 1.271 677 C HN 1.214 nan 8.230 nan 0.000 0.760 678 R N -1.668 118.793 120.500 -0.065 0.000 3.301 678 R HA -0.237 4.103 4.340 0.001 0.000 0.249 678 R C -0.560 175.691 176.300 -0.081 0.000 0.964 678 R CA 1.749 57.786 56.100 -0.105 0.000 0.653 678 R CB -1.745 28.463 30.300 -0.153 0.000 1.043 678 R HN 0.781 nan 8.270 nan 0.000 0.454 679 K N 0.189 120.595 120.400 0.010 0.000 2.435 679 K HA 0.694 5.015 4.320 0.001 0.000 0.251 679 K C 0.197 176.928 176.600 0.218 0.000 0.954 679 K CA -0.455 55.913 56.287 0.136 0.000 0.820 679 K CB 2.279 34.850 32.500 0.118 0.000 1.292 679 K HN 0.445 nan 8.250 nan 0.000 0.436 680 G N 1.034 110.105 108.800 0.451 0.000 2.730 680 G HA2 -0.197 3.764 3.960 0.001 0.000 0.686 680 G HA3 -0.197 3.764 3.960 0.001 0.000 0.686 680 G C -0.404 174.689 174.900 0.321 0.000 1.343 680 G CA -0.931 44.425 45.100 0.426 0.000 0.826 680 G HN 0.404 nan 8.290 nan 0.000 0.582 681 L N -0.003 121.287 121.223 0.112 0.000 2.416 681 L HA 0.240 4.580 4.340 0.001 0.000 0.212 681 L C 2.324 179.189 176.870 -0.009 0.000 1.200 681 L CA 0.488 55.278 54.840 -0.084 0.000 0.841 681 L CB 0.215 42.112 42.059 -0.270 0.000 1.299 681 L HN 0.886 nan 8.230 nan 0.000 0.538 682 Q N -0.102 119.673 119.800 -0.042 0.000 2.378 682 Q HA -0.042 4.298 4.340 0.001 0.000 0.205 682 Q C 0.564 176.572 176.000 0.013 0.000 0.954 682 Q CA 0.509 56.323 55.803 0.018 0.000 0.901 682 Q CB 0.109 28.905 28.738 0.097 0.000 0.981 682 Q HN 0.832 nan 8.270 nan 0.000 0.483 683 T N -2.129 112.433 114.554 0.014 0.000 2.791 683 T HA 0.003 4.353 4.350 0.001 0.000 0.323 683 T C 1.059 175.772 174.700 0.023 0.000 1.082 683 T CA 0.252 62.371 62.100 0.032 0.000 1.084 683 T CB 0.947 69.850 68.868 0.059 0.000 0.992 683 T HN 0.045 nan 8.240 nan 0.000 0.547 684 T N 1.602 116.164 114.554 0.015 0.000 2.665 684 T HA -0.168 4.183 4.350 0.001 0.000 0.268 684 T C 2.328 177.017 174.700 -0.019 0.000 1.035 684 T CA 2.312 64.410 62.100 -0.003 0.000 1.151 684 T CB -1.002 67.860 68.868 -0.010 0.000 0.862 684 T HN 1.000 nan 8.240 nan 0.000 0.438 685 T N -1.226 113.299 114.554 -0.048 0.000 2.951 685 T HA 0.251 4.602 4.350 0.001 0.000 0.268 685 T C 1.851 176.568 174.700 0.029 0.000 1.073 685 T CA 1.257 63.323 62.100 -0.056 0.000 1.134 685 T CB -0.392 68.380 68.868 -0.160 0.000 0.884 685 T HN 0.624 nan 8.240 nan 0.000 0.479 686 G N 0.971 109.807 108.800 0.060 0.000 2.157 686 G HA2 -0.193 3.767 3.960 0.001 0.000 0.239 686 G HA3 -0.193 3.767 3.960 0.001 0.000 0.239 686 G C -0.078 174.945 174.900 0.205 0.000 0.982 686 G CA 0.271 45.438 45.100 0.112 0.000 0.650 686 G HN 0.749 nan 8.290 nan 0.000 0.527 687 K N -0.807 119.709 120.400 0.194 0.000 2.378 687 K HA 0.701 5.022 4.320 0.001 0.000 0.244 687 K C 0.046 176.809 176.600 0.271 0.000 1.039 687 K CA -1.045 55.423 56.287 0.303 0.000 0.863 687 K CB 2.247 34.904 32.500 0.260 0.000 1.326 687 K HN 0.025 nan 8.250 nan 0.000 0.460 688 V N 2.484 122.602 119.914 0.340 0.000 2.421 688 V HA 0.002 4.122 4.120 0.001 0.000 0.271 688 V C -0.230 176.012 176.094 0.247 0.000 1.031 688 V CA 0.286 62.725 62.300 0.232 0.000 1.032 688 V CB -0.122 31.831 31.823 0.217 0.000 1.009 688 V HN 0.591 nan 8.190 nan 0.000 0.477 689 E N 4.685 124.982 120.200 0.163 0.000 2.014 689 E HA 0.244 4.595 4.350 0.001 0.000 0.275 689 E C -0.110 176.559 176.600 0.115 0.000 0.997 689 E CA -0.284 56.276 56.400 0.268 0.000 0.804 689 E CB 0.614 30.479 29.700 0.275 0.000 1.090 689 E HN 0.609 nan 8.360 nan 0.000 0.401 690 F N 1.556 121.526 119.950 0.032 0.000 2.502 690 F HA 0.041 4.568 4.527 0.001 0.000 0.298 690 F C 0.995 176.805 175.800 0.016 0.000 1.111 690 F CA 0.589 58.527 58.000 -0.103 0.000 1.445 690 F CB 0.189 39.037 39.000 -0.253 0.000 1.081 690 F HN 0.343 nan 8.300 nan 0.000 0.558 691 I N 0.482 121.199 120.570 0.244 0.000 2.595 691 I HA 0.303 4.474 4.170 0.001 0.000 0.275 691 I C -0.070 176.181 176.117 0.224 0.000 1.092 691 I CA -0.836 60.582 61.300 0.196 0.000 1.145 691 I CB 0.675 38.763 38.000 0.146 0.000 1.276 691 I HN -0.171 nan 8.210 nan 0.000 0.497 692 A N 3.665 126.587 122.820 0.169 0.000 2.537 692 A HA 0.157 4.477 4.320 0.001 0.000 0.260 692 A C 1.647 179.323 177.584 0.152 0.000 1.082 692 A CA 0.451 52.584 52.037 0.160 0.000 0.765 692 A CB -0.039 19.040 19.000 0.130 0.000 1.019 692 A HN 0.842 nan 8.150 nan 0.000 0.507 693 T N 1.036 115.684 114.554 0.156 0.000 2.746 693 T HA -0.238 4.112 4.350 0.001 0.000 0.267 693 T C 2.013 176.775 174.700 0.103 0.000 1.039 693 T CA 1.894 64.069 62.100 0.124 0.000 1.142 693 T CB -0.855 68.058 68.868 0.074 0.000 0.866 693 T HN 1.089 nan 8.240 nan 0.000 0.444 694 S N 3.046 118.807 115.700 0.101 0.000 2.354 694 S HA -0.086 4.384 4.470 0.001 0.000 0.219 694 S C 2.135 176.761 174.600 0.045 0.000 1.035 694 S CA 1.425 59.675 58.200 0.084 0.000 1.037 694 S CB -1.229 62.066 63.200 0.158 0.000 0.956 694 S HN 0.517 nan 8.310 nan 0.000 0.428 695 L N 1.521 122.730 121.223 -0.024 0.000 2.079 695 L HA -0.103 4.237 4.340 0.001 0.000 0.210 695 L C 2.951 179.909 176.870 0.147 0.000 1.081 695 L CA 1.780 56.630 54.840 0.016 0.000 0.752 695 L CB -0.572 41.461 42.059 -0.042 0.000 0.896 695 L HN 0.405 nan 8.230 nan 0.000 0.433 696 K N 0.581 121.053 120.400 0.120 0.000 2.097 696 K HA -0.181 4.139 4.320 0.001 0.000 0.206 696 K C 1.771 178.447 176.600 0.127 0.000 1.049 696 K CA 1.589 57.949 56.287 0.121 0.000 0.933 696 K CB -0.035 32.535 32.500 0.116 0.000 0.717 696 K HN 0.401 nan 8.250 nan 0.000 0.442 697 N N -0.461 118.320 118.700 0.136 0.000 2.084 697 N HA -0.171 4.569 4.740 0.001 0.000 0.190 697 N C 1.648 177.278 175.510 0.199 0.000 1.030 697 N CA 1.015 54.149 53.050 0.139 0.000 0.849 697 N CB -0.171 38.392 38.487 0.126 0.000 1.012 697 N HN 0.074 nan 8.380 nan 0.000 0.423 698 F N 2.634 122.601 119.950 0.028 0.000 2.095 698 F HA -0.191 4.336 4.527 0.001 0.000 0.298 698 F C 2.271 178.145 175.800 0.123 0.000 1.104 698 F CA 1.480 59.500 58.000 0.033 0.000 1.232 698 F CB -0.348 38.611 39.000 -0.069 0.000 0.987 698 F HN 0.157 nan 8.300 nan 0.000 0.475 699 E N -0.699 119.558 120.200 0.095 0.000 2.152 699 E HA -0.180 4.170 4.350 0.001 0.000 0.192 699 E C 1.793 178.383 176.600 -0.018 0.000 0.983 699 E CA 1.346 57.741 56.400 -0.009 0.000 0.818 699 E CB -0.745 28.984 29.700 0.048 0.000 0.758 699 E HN 0.538 nan 8.360 nan 0.000 0.467 700 E N 0.947 121.165 120.200 0.029 0.000 2.274 700 E HA -0.121 4.229 4.350 0.001 0.000 0.194 700 E C 1.817 178.413 176.600 -0.007 0.000 0.996 700 E CA 0.556 56.965 56.400 0.015 0.000 0.840 700 E CB 0.028 29.752 29.700 0.040 0.000 0.772 700 E HN 0.355 nan 8.360 nan 0.000 0.491 701 Q N -0.785 119.022 119.800 0.012 0.000 2.451 701 Q HA 0.035 4.376 4.340 0.001 0.000 0.206 701 Q C 1.044 176.927 176.000 -0.196 0.000 0.947 701 Q CA 0.594 56.398 55.803 0.001 0.000 0.937 701 Q CB 0.753 29.596 28.738 0.175 0.000 1.025 701 Q HN 0.393 nan 8.270 nan 0.000 0.511 702 G N -0.460 108.185 108.800 -0.258 0.000 2.192 702 G HA2 -0.232 3.728 3.960 0.001 0.000 0.193 702 G HA3 -0.232 3.728 3.960 0.001 0.000 0.193 702 G C -0.355 174.206 174.900 -0.565 0.000 0.999 702 G CA -0.610 44.247 45.100 -0.406 0.000 0.659 702 G HN 0.312 nan 8.290 nan 0.000 0.503 703 Y N 2.270 122.253 120.300 -0.528 0.000 2.736 703 Y HA 0.459 5.010 4.550 0.001 0.000 0.339 703 Y C 0.977 176.669 175.900 -0.347 0.000 1.301 703 Y CA -1.085 56.567 58.100 -0.745 0.000 1.676 703 Y CB 0.054 37.252 38.460 -2.103 0.000 1.725 703 Y HN 0.062 nan 8.280 nan 0.000 0.466 704 I N 2.299 122.872 120.570 0.004 0.000 2.581 704 I HA -0.037 4.133 4.170 0.001 0.000 0.285 704 I C 0.156 176.401 176.117 0.213 0.000 1.129 704 I CA 0.237 61.587 61.300 0.082 0.000 1.397 704 I CB 0.056 38.077 38.000 0.035 0.000 1.399 704 I HN 0.448 nan 8.210 nan 0.000 0.537 705 D N 5.851 126.388 120.400 0.229 0.000 2.408 705 D HA 0.093 4.734 4.640 0.001 0.000 0.261 705 D C 1.009 177.421 176.300 0.186 0.000 1.190 705 D CA -0.348 53.810 54.000 0.264 0.000 0.910 705 D CB 0.890 41.948 40.800 0.431 0.000 1.097 705 D HN 0.615 nan 8.370 nan 0.000 0.522 706 E N 1.835 122.118 120.200 0.138 0.000 2.147 706 E HA -0.270 4.080 4.350 0.001 0.000 0.199 706 E C 0.282 176.864 176.600 -0.031 0.000 1.005 706 E CA 1.411 57.839 56.400 0.046 0.000 0.810 706 E CB 0.136 29.852 29.700 0.027 0.000 0.736 706 E HN 0.524 nan 8.360 nan 0.000 0.460 707 H N -1.097 118.051 119.070 0.130 0.000 2.526 707 H HA 0.249 4.805 4.556 0.001 0.000 0.274 707 H C 0.143 175.574 175.328 0.172 0.000 0.999 707 H CA 0.325 56.473 56.048 0.168 0.000 1.157 707 H CB 0.368 30.268 29.762 0.231 0.000 1.407 707 H HN -0.109 nan 8.280 nan 0.000 0.568 708 R N 1.488 122.128 120.500 0.232 0.000 2.818 708 R HA 0.162 4.503 4.340 0.001 0.000 0.258 708 R C -3.291 173.115 176.300 0.175 0.000 1.797 708 R CA -1.530 54.698 56.100 0.213 0.000 1.532 708 R CB 0.792 31.244 30.300 0.252 0.000 1.413 708 R HN 0.099 nan 8.270 nan 0.000 0.622 709 P HA 0.092 nan 4.420 nan 0.000 0.277 709 P C 0.638 178.003 177.300 0.108 0.000 1.240 709 P CA -0.158 63.006 63.100 0.106 0.000 0.798 709 P CB 1.691 33.430 31.700 0.065 0.000 0.979 710 S N 2.526 118.286 115.700 0.100 0.000 2.383 710 S HA -0.127 4.344 4.470 0.001 0.000 0.229 710 S C 1.135 175.805 174.600 0.116 0.000 1.030 710 S CA 0.685 58.945 58.200 0.100 0.000 1.002 710 S CB -0.586 62.676 63.200 0.103 0.000 0.829 710 S HN 0.599 nan 8.310 nan 0.000 0.467 711 M N 2.493 122.161 119.600 0.114 0.000 2.233 711 M HA 0.258 4.739 4.480 0.001 0.000 0.355 711 M C -0.356 176.069 176.300 0.208 0.000 1.191 711 M CA -0.633 54.761 55.300 0.156 0.000 1.101 711 M CB 0.851 33.518 32.600 0.111 0.000 1.592 711 M HN 0.358 nan 8.290 nan 0.000 0.461 712 H N 4.211 123.388 119.070 0.178 0.000 3.082 712 H HA 0.303 4.859 4.556 0.001 0.000 0.275 712 H C -0.957 174.694 175.328 0.539 0.000 1.032 712 H CA 0.597 56.798 56.048 0.255 0.000 1.477 712 H CB 0.034 29.840 29.762 0.074 0.000 1.520 712 H HN 0.734 nan 8.280 nan 0.000 0.521 713 T N 1.617 116.381 114.554 0.350 0.000 2.804 713 T HA 0.199 4.549 4.350 0.001 0.000 0.290 713 T C -0.772 174.190 174.700 0.437 0.000 1.099 713 T CA -1.023 61.119 62.100 0.069 0.000 1.011 713 T CB 0.700 69.327 68.868 -0.401 0.000 1.291 713 T HN 0.468 nan 8.240 nan 0.000 0.523 714 Y N 1.758 122.121 120.300 0.104 0.000 2.691 714 Y HA 0.529 5.079 4.550 0.001 0.000 0.338 714 Y C -0.601 175.448 175.900 0.249 0.000 1.148 714 Y CA -1.011 57.248 58.100 0.265 0.000 1.430 714 Y CB -0.446 38.017 38.460 0.005 0.000 1.303 714 Y HN 0.521 nan 8.280 nan 0.000 0.499 715 V N 8.542 128.470 119.914 0.024 0.000 2.432 715 V HA 0.239 4.360 4.120 0.001 0.000 0.271 715 V C -2.020 173.923 176.094 -0.252 0.000 1.046 715 V CA -1.988 60.260 62.300 -0.086 0.000 0.945 715 V CB 0.851 32.681 31.823 0.013 0.000 0.992 715 V HN 0.635 nan 8.190 nan 0.000 0.471 716 P HA 0.161 nan 4.420 nan 0.000 0.267 716 P C -0.226 177.034 177.300 -0.068 0.000 1.205 716 P CA 0.035 62.834 63.100 -0.501 0.000 0.765 716 P CB 0.500 31.724 31.700 -0.793 0.000 0.828 717 A N 5.165 127.995 122.820 0.018 0.000 2.548 717 A HA 0.001 4.321 4.320 0.001 0.000 0.247 717 A C 1.327 178.947 177.584 0.060 0.000 1.067 717 A CA -0.450 51.583 52.037 -0.007 0.000 0.757 717 A CB -0.414 18.527 19.000 -0.097 0.000 0.996 717 A HN 0.837 nan 8.150 nan 0.000 0.504 718 W N 1.770 123.153 121.300 0.139 0.000 2.538 718 W HA 0.013 4.673 4.660 0.001 0.000 0.254 718 W C 0.157 176.720 176.519 0.073 0.000 1.249 718 W CA 0.760 58.164 57.345 0.098 0.000 1.253 718 W CB -0.196 29.230 29.460 -0.057 0.000 1.130 718 W HN 0.742 nan 8.180 nan 0.000 0.618 719 E N 2.139 122.315 120.200 -0.040 0.000 3.568 719 E HA 0.181 4.532 4.350 0.001 0.000 0.213 719 E C -0.560 176.010 176.600 -0.051 0.000 1.197 719 E CA -0.189 56.221 56.400 0.017 0.000 1.126 719 E CB 0.238 29.872 29.700 -0.110 0.000 1.285 719 E HN 0.070 nan 8.360 nan 0.000 0.418 720 S N 0.564 116.287 115.700 0.039 0.000 2.634 720 S HA 0.295 4.765 4.470 0.001 0.000 0.296 720 S C 0.924 175.545 174.600 0.036 0.000 1.104 720 S CA -0.735 57.479 58.200 0.024 0.000 0.920 720 S CB 1.722 64.974 63.200 0.088 0.000 1.111 720 S HN 0.303 nan 8.310 nan 0.000 0.493 721 Q N 0.761 120.559 119.800 -0.004 0.000 2.124 721 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 721 Q C 1.848 177.811 176.000 -0.062 0.000 0.977 721 Q CA 1.916 57.705 55.803 -0.024 0.000 0.850 721 Q CB -0.251 28.464 28.738 -0.038 0.000 0.901 721 Q HN 0.873 nan 8.270 nan 0.000 0.429 722 K N -1.446 118.867 120.400 -0.145 0.000 2.361 722 K HA 0.030 4.351 4.320 0.001 0.000 0.194 722 K C 1.049 177.442 176.600 -0.344 0.000 1.032 722 K CA 0.576 56.698 56.287 -0.274 0.000 1.048 722 K CB 0.366 32.630 32.500 -0.394 0.000 0.842 722 K HN 0.199 nan 8.250 nan 0.000 0.526 723 H N 0.121 119.228 119.070 0.062 0.000 2.750 723 H HA 0.149 4.705 4.556 0.001 0.000 0.263 723 H C 0.074 175.468 175.328 0.109 0.000 0.964 723 H CA 0.012 56.115 56.048 0.092 0.000 1.205 723 H CB 0.888 30.720 29.762 0.115 0.000 1.454 723 H HN 0.118 nan 8.280 nan 0.000 0.503 724 S N 2.158 117.968 115.700 0.183 0.000 2.513 724 S HA 0.162 4.632 4.470 0.001 0.000 0.276 724 S C -1.699 172.968 174.600 0.112 0.000 1.254 724 S CA -1.397 56.905 58.200 0.171 0.000 1.053 724 S CB 1.397 64.699 63.200 0.170 0.000 0.958 724 S HN -0.049 nan 8.310 nan 0.000 0.491 725 P HA 0.010 nan 4.420 nan 0.000 0.228 725 P C 0.971 178.300 177.300 0.049 0.000 1.151 725 P CA 0.223 63.364 63.100 0.068 0.000 0.770 725 P CB 0.177 31.919 31.700 0.069 0.000 0.786 726 L N -0.614 120.657 121.223 0.080 0.000 2.270 726 L HA 0.163 4.503 4.340 0.001 0.000 0.210 726 L C 2.209 179.106 176.870 0.045 0.000 1.104 726 L CA 0.980 55.871 54.840 0.086 0.000 0.804 726 L CB -1.584 40.588 42.059 0.188 0.000 0.937 726 L HN -0.121 nan 8.230 nan 0.000 0.450 727 A N -1.210 121.641 122.820 0.053 0.000 2.131 727 A HA -0.136 4.184 4.320 0.001 0.000 0.220 727 A C 2.229 179.797 177.584 -0.027 0.000 1.158 727 A CA 1.585 53.639 52.037 0.029 0.000 0.665 727 A CB -0.731 18.281 19.000 0.020 0.000 0.795 727 A HN 0.242 nan 8.150 nan 0.000 0.460 728 V N -0.565 119.317 119.914 -0.052 0.000 2.515 728 V HA -0.193 3.927 4.120 0.001 0.000 0.250 728 V C 2.391 178.401 176.094 -0.139 0.000 1.058 728 V CA 2.252 64.507 62.300 -0.074 0.000 1.064 728 V CB -0.437 31.352 31.823 -0.058 0.000 0.675 728 V HN 0.551 nan 8.190 nan 0.000 0.461 729 K N -1.258 118.978 120.400 -0.274 0.000 2.214 729 K HA 0.086 4.407 4.320 0.001 0.000 0.201 729 K C -0.068 176.204 176.600 -0.546 0.000 1.049 729 K CA 0.430 56.413 56.287 -0.507 0.000 0.978 729 K CB 0.332 32.293 32.500 -0.898 0.000 0.842 729 K HN 0.422 nan 8.250 nan 0.000 0.474 730 Y N 1.330 121.608 120.300 -0.036 0.000 2.944 730 Y HA 0.211 4.761 4.550 0.001 0.000 0.335 730 Y C -1.945 173.918 175.900 -0.062 0.000 1.075 730 Y CA -3.070 54.978 58.100 -0.085 0.000 1.240 730 Y CB 0.774 39.175 38.460 -0.097 0.000 1.167 730 Y HN 0.076 nan 8.280 nan 0.000 0.555 731 P HA -0.097 nan 4.420 nan 0.000 0.223 731 P C 0.082 177.388 177.300 0.009 0.000 1.151 731 P CA 0.939 64.046 63.100 0.011 0.000 0.787 731 P CB 0.929 32.627 31.700 -0.004 0.000 0.788 732 L N 0.200 121.429 121.223 0.009 0.000 2.305 732 L HA 0.463 4.804 4.340 0.001 0.000 0.281 732 L C 1.078 177.941 176.870 -0.011 0.000 1.085 732 L CA -0.732 54.104 54.840 -0.007 0.000 0.813 732 L CB 1.060 43.108 42.059 -0.018 0.000 1.157 732 L HN -0.098 nan 8.230 nan 0.000 0.436 733 G N 3.873 112.664 108.800 -0.014 0.000 2.332 733 G HA2 0.548 4.508 3.960 0.001 0.000 0.310 733 G HA3 0.548 4.508 3.960 0.001 0.000 0.310 733 G C -0.783 174.101 174.900 -0.025 0.000 1.123 733 G CA -0.475 44.612 45.100 -0.022 0.000 0.873 733 G HN 0.557 nan 8.290 nan 0.000 0.460 734 M N 3.460 123.036 119.600 -0.041 0.000 2.393 734 M HA 0.692 5.172 4.480 0.001 0.000 0.316 734 M C -1.074 175.191 176.300 -0.060 0.000 1.087 734 M CA -1.027 54.242 55.300 -0.051 0.000 0.937 734 M CB 1.903 34.463 32.600 -0.067 0.000 1.668 734 M HN 0.503 nan 8.290 nan 0.000 0.438 735 L N 2.632 123.811 121.223 -0.073 0.000 2.354 735 L HA 0.901 5.241 4.340 0.001 0.000 0.269 735 L C -0.878 175.883 176.870 -0.183 0.000 1.005 735 L CA -0.554 54.240 54.840 -0.077 0.000 0.819 735 L CB 2.234 44.284 42.059 -0.015 0.000 1.311 735 L HN 0.785 nan 8.230 nan 0.000 0.423 736 S N 0.547 116.173 115.700 -0.123 0.000 2.317 736 S HA 0.546 5.016 4.470 0.001 0.000 0.144 736 S C -2.668 171.962 174.600 0.050 0.000 1.660 736 S CA -0.999 57.127 58.200 -0.124 0.000 1.273 736 S CB 0.364 63.536 63.200 -0.046 0.000 1.330 736 S HN 0.550 nan 8.310 nan 0.000 0.395 737 P HA 0.163 nan 4.420 nan 0.000 0.280 737 P C -0.095 177.467 177.300 0.437 0.000 1.278 737 P CA -0.309 62.953 63.100 0.268 0.000 0.787 737 P CB 0.230 32.107 31.700 0.295 0.000 1.163 738 H N 0.292 119.404 119.070 0.070 0.000 2.732 738 H HA 0.110 4.667 4.556 0.001 0.000 0.351 738 H C -1.644 173.460 175.328 -0.373 0.000 1.090 738 H CA -1.764 54.209 56.048 -0.124 0.000 1.431 738 H CB -0.282 29.316 29.762 -0.274 0.000 1.447 738 H HN 0.350 nan 8.280 nan 0.000 0.582 739 P HA -0.073 nan 4.420 nan 0.000 0.264 739 P C 0.491 177.439 177.300 -0.587 0.000 1.193 739 P CA -0.013 62.788 63.100 -0.499 0.000 0.763 739 P CB 1.214 32.909 31.700 -0.009 0.000 0.810 740 R N 3.922 123.896 120.500 -0.876 0.000 2.062 740 R HA -0.032 4.308 4.340 0.001 0.000 0.229 740 R C 1.097 177.030 176.300 -0.612 0.000 1.128 740 R CA 1.741 57.374 56.100 -0.778 0.000 0.960 740 R CB -1.052 28.613 30.300 -1.058 0.000 0.855 740 R HN 0.424 nan 8.270 nan 0.000 0.432 741 F N 0.322 120.201 119.950 -0.118 0.000 2.798 741 F HA 0.436 4.963 4.527 0.001 0.000 0.291 741 F C -0.006 175.770 175.800 -0.040 0.000 1.174 741 F CA -0.207 57.727 58.000 -0.111 0.000 1.392 741 F CB 0.376 39.211 39.000 -0.275 0.000 0.966 741 F HN -0.010 nan 8.300 nan 0.000 0.509 742 S N 0.725 116.532 115.700 0.179 0.000 2.578 742 S HA 0.348 4.818 4.470 0.001 0.000 0.285 742 S C -1.129 173.194 174.600 -0.462 0.000 1.126 742 S CA -0.815 57.359 58.200 -0.044 0.000 0.878 742 S CB 0.994 64.179 63.200 -0.025 0.000 1.091 742 S HN 0.042 nan 8.310 nan 0.000 0.450 743 M N 5.852 124.875 119.600 -0.963 0.000 2.497 743 M HA 0.305 4.785 4.480 0.001 0.000 0.336 743 M C 0.598 176.665 176.300 -0.388 0.000 1.378 743 M CA 0.894 55.692 55.300 -0.837 0.000 1.375 743 M CB -1.765 30.328 32.600 -0.846 0.000 1.337 743 M HN 0.953 nan 8.290 nan 0.000 0.461 744 H N 0.464 119.356 119.070 -0.298 0.000 1.452 744 H HA -0.265 4.292 4.556 0.001 0.000 0.090 744 H C 1.237 176.475 175.328 -0.151 0.000 0.910 744 H CA 2.535 58.451 56.048 -0.219 0.000 1.901 744 H CB -1.375 28.253 29.762 -0.223 0.000 2.257 744 H HN 0.630 nan 8.280 nan 0.000 0.961 745 T N 0.220 114.784 114.554 0.017 0.000 3.055 745 T HA 0.133 4.484 4.350 0.001 0.000 0.265 745 T C 1.322 175.932 174.700 -0.151 0.000 1.111 745 T CA 0.981 63.037 62.100 -0.072 0.000 1.118 745 T CB -0.109 68.703 68.868 -0.094 0.000 0.909 745 T HN 0.254 nan 8.240 nan 0.000 0.501 746 M N 2.102 121.620 119.600 -0.136 0.000 2.383 746 M HA 0.476 4.956 4.480 0.001 0.000 0.337 746 M C 1.341 177.507 176.300 -0.224 0.000 1.422 746 M CA 0.413 55.594 55.300 -0.198 0.000 1.333 746 M CB 0.403 32.996 32.600 -0.012 0.000 1.488 746 M HN 0.540 nan 8.290 nan 0.000 0.454 747 G N 1.623 110.236 108.800 -0.311 0.000 3.345 747 G HA2 -0.173 3.787 3.960 0.001 0.000 0.199 747 G HA3 -0.173 3.787 3.960 0.001 0.000 0.199 747 G C -0.256 174.527 174.900 -0.194 0.000 1.057 747 G CA -0.522 44.450 45.100 -0.212 0.000 0.865 747 G HN 0.566 nan 8.290 nan 0.000 0.449 748 D N 0.674 121.008 120.400 -0.111 0.000 2.354 748 D HA 0.532 5.172 4.640 0.001 0.000 0.247 748 D C 1.366 177.600 176.300 -0.109 0.000 1.138 748 D CA 1.846 55.879 54.000 0.056 0.000 0.958 748 D CB 0.701 41.661 40.800 0.267 0.000 1.144 748 D HN 1.381 nan 8.370 nan 0.000 0.458 749 G N 1.884 110.650 108.800 -0.057 0.000 2.578 749 G HA2 -0.360 3.600 3.960 0.001 0.000 0.275 749 G HA3 -0.360 3.600 3.960 0.001 0.000 0.275 749 G C 0.067 174.832 174.900 -0.226 0.000 1.271 749 G CA 0.525 45.538 45.100 -0.144 0.000 0.941 749 G HN 0.922 nan 8.290 nan 0.000 0.564 750 K N -1.147 119.122 120.400 -0.219 0.000 3.193 750 K HA -0.345 3.976 4.320 0.001 0.000 0.294 750 K C 0.706 177.213 176.600 -0.155 0.000 1.185 750 K CA 1.340 57.492 56.287 -0.225 0.000 0.866 750 K CB -1.663 30.516 32.500 -0.535 0.000 1.227 750 K HN 1.897 nan 8.250 nan 0.000 0.467 751 N N 0.053 118.668 118.700 -0.142 0.000 2.725 751 N HA -0.202 4.539 4.740 0.001 0.000 0.249 751 N C -0.145 175.277 175.510 -0.147 0.000 1.103 751 N CA 1.086 54.064 53.050 -0.121 0.000 0.707 751 N CB -0.629 37.835 38.487 -0.037 0.000 1.043 751 N HN 0.652 nan 8.380 nan 0.000 0.553 752 S N -1.464 114.104 115.700 -0.220 0.000 2.624 752 S HA 0.254 4.724 4.470 0.001 0.000 0.263 752 S C 1.243 175.772 174.600 -0.118 0.000 1.287 752 S CA -0.370 57.668 58.200 -0.271 0.000 0.990 752 S CB 0.445 63.459 63.200 -0.309 0.000 0.950 752 S HN 0.180 nan 8.310 nan 0.000 0.561 753 Y N 0.048 120.342 120.300 -0.009 0.000 2.352 753 Y HA 0.004 4.555 4.550 0.001 0.000 0.292 753 Y C 2.288 178.188 175.900 -0.000 0.000 1.136 753 Y CA 0.467 58.636 58.100 0.114 0.000 1.227 753 Y CB -1.210 37.307 38.460 0.094 0.000 0.991 753 Y HN 0.475 nan 8.280 nan 0.000 0.545 754 M N 0.084 119.701 119.600 0.028 0.000 2.358 754 M HA -0.178 4.303 4.480 0.001 0.000 0.264 754 M C 1.420 177.625 176.300 -0.160 0.000 1.064 754 M CA 1.122 56.350 55.300 -0.120 0.000 1.093 754 M CB -0.625 31.852 32.600 -0.205 0.000 1.401 754 M HN 0.166 nan 8.290 nan 0.000 0.440 755 N N -1.065 117.520 118.700 -0.192 0.000 2.550 755 N HA -0.097 4.644 4.740 0.001 0.000 0.186 755 N C 0.779 176.074 175.510 -0.358 0.000 1.110 755 N CA 1.003 53.911 53.050 -0.236 0.000 0.912 755 N CB -0.092 38.154 38.487 -0.403 0.000 0.968 755 N HN 0.526 nan 8.380 nan 0.000 0.448 756 Y N 0.442 120.728 120.300 -0.024 0.000 2.457 756 Y HA 0.312 4.862 4.550 0.001 0.000 0.263 756 Y C 0.867 176.700 175.900 -0.112 0.000 1.164 756 Y CA -0.494 57.574 58.100 -0.053 0.000 1.274 756 Y CB 0.370 38.803 38.460 -0.045 0.000 1.097 756 Y HN -0.122 nan 8.280 nan 0.000 0.523 757 I N 1.426 121.940 120.570 -0.093 0.000 2.533 757 I HA -0.071 4.099 4.170 0.001 0.000 0.284 757 I C 1.178 177.164 176.117 -0.218 0.000 1.109 757 I CA 0.230 61.361 61.300 -0.282 0.000 1.412 757 I CB 1.123 38.696 38.000 -0.712 0.000 1.396 757 I HN 0.207 nan 8.210 nan 0.000 0.543 758 K N 3.113 123.414 120.400 -0.165 0.000 2.074 758 K HA -0.224 4.097 4.320 0.001 0.000 0.209 758 K C 0.969 177.539 176.600 -0.051 0.000 1.048 758 K CA 1.610 57.849 56.287 -0.080 0.000 0.926 758 K CB -0.072 32.398 32.500 -0.049 0.000 0.713 758 K HN 0.578 nan 8.250 nan 0.000 0.444 759 D N -0.812 119.561 120.400 -0.045 0.000 2.336 759 D HA -0.024 4.617 4.640 0.001 0.000 0.228 759 D C 0.960 177.430 176.300 0.283 0.000 1.120 759 D CA 0.305 54.399 54.000 0.157 0.000 0.839 759 D CB 0.251 41.270 40.800 0.365 0.000 0.932 759 D HN 0.232 nan 8.370 nan 0.000 0.509 760 H N -0.555 118.472 119.070 -0.073 0.000 2.338 760 H HA 0.428 4.984 4.556 0.001 0.000 0.291 760 H C -0.003 175.202 175.328 -0.206 0.000 0.989 760 H CA 0.631 56.635 56.048 -0.074 0.000 1.281 760 H CB 0.642 30.315 29.762 -0.148 0.000 1.484 760 H HN -0.196 nan 8.280 nan 0.000 0.576 761 R N 0.117 120.509 120.500 -0.180 0.000 2.725 761 R HA 0.525 4.866 4.340 0.001 0.000 0.277 761 R C -1.669 174.597 176.300 -0.055 0.000 0.987 761 R CA -0.973 55.026 56.100 -0.169 0.000 0.901 761 R CB 3.176 33.385 30.300 -0.151 0.000 1.207 761 R HN -0.011 nan 8.270 nan 0.000 0.463 762 V N 1.748 121.668 119.914 0.009 0.000 2.448 762 V HA 0.235 4.355 4.120 0.001 0.000 0.295 762 V C -0.097 176.074 176.094 0.127 0.000 1.025 762 V CA -0.734 61.599 62.300 0.056 0.000 0.859 762 V CB 1.564 33.422 31.823 0.058 0.000 0.988 762 V HN 0.712 nan 8.190 nan 0.000 0.431 763 E N 3.705 123.967 120.200 0.104 0.000 2.180 763 E HA 0.442 4.792 4.350 0.001 0.000 0.283 763 E C -1.343 175.370 176.600 0.187 0.000 1.061 763 E CA -0.201 56.284 56.400 0.142 0.000 0.861 763 E CB 1.138 30.898 29.700 0.100 0.000 1.056 763 E HN 0.520 nan 8.360 nan 0.000 0.407 764 V N 5.342 125.443 119.914 0.312 0.000 2.483 764 V HA 0.112 4.232 4.120 0.001 0.000 0.297 764 V C -0.459 175.827 176.094 0.321 0.000 1.027 764 V CA -0.840 61.612 62.300 0.253 0.000 0.855 764 V CB 1.736 33.646 31.823 0.145 0.000 0.995 764 V HN 0.870 nan 8.190 nan 0.000 0.424 765 D N 4.340 124.863 120.400 0.206 0.000 2.689 765 D HA -0.203 4.438 4.640 0.001 0.000 0.237 765 D C 1.334 177.766 176.300 0.220 0.000 1.148 765 D CA 1.659 55.775 54.000 0.193 0.000 0.656 765 D CB -0.921 39.996 40.800 0.195 0.000 1.050 765 D HN 1.457 nan 8.370 nan 0.000 0.426 766 G N -0.699 108.216 108.800 0.192 0.000 2.179 766 G HA2 -0.371 3.590 3.960 0.001 0.000 0.260 766 G HA3 -0.371 3.590 3.960 0.001 0.000 0.260 766 G C -0.013 175.006 174.900 0.198 0.000 0.977 766 G CA 0.628 45.830 45.100 0.169 0.000 0.641 766 G HN 0.571 nan 8.290 nan 0.000 0.533 767 Y N 1.073 121.429 120.300 0.094 0.000 2.429 767 Y HA 0.627 5.178 4.550 0.001 0.000 0.342 767 Y C 0.039 175.895 175.900 -0.074 0.000 1.004 767 Y CA -1.211 56.847 58.100 -0.071 0.000 1.075 767 Y CB 1.298 39.609 38.460 -0.248 0.000 1.214 767 Y HN 0.020 nan 8.280 nan 0.000 0.455 768 K N 6.254 126.288 120.400 -0.611 0.000 2.250 768 K HA 0.218 4.538 4.320 0.001 0.000 0.280 768 K C -1.591 174.781 176.600 -0.380 0.000 1.098 768 K CA -0.323 55.764 56.287 -0.334 0.000 0.916 768 K CB 0.457 32.764 32.500 -0.322 0.000 1.209 768 K HN 0.501 nan 8.250 nan 0.000 0.461 769 Y N 1.253 121.569 120.300 0.026 0.000 2.307 769 Y HA 0.099 4.650 4.550 0.001 0.000 0.324 769 Y C 0.668 176.632 175.900 0.106 0.000 1.238 769 Y CA -0.735 57.451 58.100 0.143 0.000 1.280 769 Y CB 0.596 39.161 38.460 0.175 0.000 1.248 769 Y HN 0.534 nan 8.280 nan 0.000 0.508 770 W N 4.143 125.497 121.300 0.089 0.000 2.137 770 W HA 0.299 4.959 4.660 0.001 0.000 0.344 770 W C -0.993 175.547 176.519 0.036 0.000 1.286 770 W CA -0.432 56.907 57.345 -0.009 0.000 1.240 770 W CB 0.496 29.947 29.460 -0.016 0.000 1.141 770 W HN 0.409 nan 8.180 nan 0.000 0.579 771 I N 6.061 126.433 120.570 -0.330 0.000 2.392 771 I HA 0.257 4.428 4.170 0.001 0.000 0.295 771 I C 0.252 176.300 176.117 -0.114 0.000 0.985 771 I CA -0.652 60.535 61.300 -0.189 0.000 1.221 771 I CB 1.644 39.504 38.000 -0.233 0.000 1.366 771 I HN 0.252 nan 8.210 nan 0.000 0.467 772 M N 6.488 126.074 119.600 -0.022 0.000 2.253 772 M HA 0.499 4.979 4.480 0.001 0.000 0.314 772 M C -1.133 175.147 176.300 -0.034 0.000 1.019 772 M CA -0.472 54.825 55.300 -0.005 0.000 0.932 772 M CB 1.393 34.011 32.600 0.031 0.000 1.606 772 M HN 0.501 nan 8.290 nan 0.000 0.430 773 R N 2.984 123.450 120.500 -0.056 0.000 2.404 773 R HA 0.765 5.105 4.340 0.001 0.000 0.291 773 R C -1.283 174.994 176.300 -0.039 0.000 1.025 773 R CA -0.698 55.354 56.100 -0.081 0.000 0.991 773 R CB 1.691 31.869 30.300 -0.202 0.000 1.053 773 R HN 0.545 nan 8.270 nan 0.000 0.479 774 V N 2.126 122.026 119.914 -0.023 0.000 2.808 774 V HA 0.179 4.299 4.120 0.001 0.000 0.308 774 V C -0.394 175.705 176.094 0.008 0.000 1.099 774 V CA -1.178 61.121 62.300 -0.001 0.000 0.920 774 V CB 2.038 33.864 31.823 0.005 0.000 1.014 774 V HN 0.756 nan 8.190 nan 0.000 0.425 775 N N 1.937 120.649 118.700 0.021 0.000 2.492 775 N HA 0.011 4.752 4.740 0.001 0.000 0.262 775 N C 1.496 177.018 175.510 0.021 0.000 1.202 775 N CA 0.721 53.788 53.050 0.029 0.000 0.926 775 N CB 1.725 40.236 38.487 0.039 0.000 1.078 775 N HN 0.882 nan 8.380 nan 0.000 0.454 776 S N 4.346 120.057 115.700 0.020 0.000 2.380 776 S HA -0.213 4.258 4.470 0.001 0.000 0.229 776 S C 2.034 176.643 174.600 0.015 0.000 1.043 776 S CA 1.021 59.231 58.200 0.016 0.000 1.038 776 S CB -0.444 62.765 63.200 0.015 0.000 0.872 776 S HN 0.687 nan 8.310 nan 0.000 0.456 777 I N 2.365 122.945 120.570 0.016 0.000 2.226 777 I HA -0.181 3.990 4.170 0.001 0.000 0.245 777 I C 2.076 178.200 176.117 0.013 0.000 1.100 777 I CA 1.677 62.985 61.300 0.013 0.000 1.374 777 I CB -0.437 37.569 38.000 0.010 0.000 1.057 777 I HN 0.300 nan 8.210 nan 0.000 0.413 778 D N 0.791 121.199 120.400 0.015 0.000 2.194 778 D HA -0.035 4.605 4.640 0.001 0.000 0.204 778 D C 2.219 178.531 176.300 0.019 0.000 0.964 778 D CA 1.213 55.222 54.000 0.015 0.000 0.846 778 D CB 0.060 40.868 40.800 0.014 0.000 0.962 778 D HN 0.321 nan 8.370 nan 0.000 0.490 779 A N 1.410 124.241 122.820 0.019 0.000 1.855 779 A HA -0.167 4.153 4.320 0.001 0.000 0.215 779 A C 2.144 179.741 177.584 0.021 0.000 1.191 779 A CA 1.165 53.214 52.037 0.021 0.000 0.613 779 A CB -0.375 18.635 19.000 0.017 0.000 0.829 779 A HN 0.002 nan 8.150 nan 0.000 0.442 780 E N 0.470 120.681 120.200 0.018 0.000 2.118 780 E HA -0.156 4.195 4.350 0.001 0.000 0.195 780 E C 2.088 178.699 176.600 0.018 0.000 0.992 780 E CA 1.282 57.692 56.400 0.016 0.000 0.804 780 E CB -0.352 29.356 29.700 0.013 0.000 0.741 780 E HN 0.462 nan 8.360 nan 0.000 0.458 781 A N 0.577 123.408 122.820 0.018 0.000 2.121 781 A HA -0.090 4.231 4.320 0.001 0.000 0.218 781 A C 1.960 179.560 177.584 0.027 0.000 1.154 781 A CA 0.948 52.997 52.037 0.020 0.000 0.679 781 A CB -0.209 18.801 19.000 0.017 0.000 0.795 781 A HN 0.126 nan 8.150 nan 0.000 0.458 782 R N -1.890 118.629 120.500 0.031 0.000 2.472 782 R HA 0.274 4.614 4.340 0.001 0.000 0.279 782 R C 1.030 177.354 176.300 0.040 0.000 0.953 782 R CA 0.447 56.572 56.100 0.042 0.000 1.088 782 R CB 0.319 30.649 30.300 0.051 0.000 1.197 782 R HN 0.563 nan 8.270 nan 0.000 0.536 783 G N 1.820 110.638 108.800 0.030 0.000 2.160 783 G HA2 -0.277 3.684 3.960 0.001 0.000 0.251 783 G HA3 -0.277 3.684 3.960 0.001 0.000 0.251 783 G C 0.124 175.041 174.900 0.029 0.000 1.008 783 G CA -0.010 45.106 45.100 0.027 0.000 0.724 783 G HN 0.249 nan 8.290 nan 0.000 0.514 784 I N 0.270 120.858 120.570 0.030 0.000 2.365 784 I HA 0.386 4.557 4.170 0.001 0.000 0.291 784 I C 0.625 176.755 176.117 0.022 0.000 1.004 784 I CA -0.244 61.074 61.300 0.030 0.000 1.311 784 I CB 1.219 39.239 38.000 0.035 0.000 1.401 784 I HN -0.001 nan 8.210 nan 0.000 0.491 785 K N 4.393 124.805 120.400 0.019 0.000 2.295 785 K HA 0.309 4.629 4.320 0.001 0.000 0.239 785 K C -0.304 176.303 176.600 0.011 0.000 0.991 785 K CA -0.977 55.318 56.287 0.014 0.000 0.845 785 K CB 1.545 34.052 32.500 0.013 0.000 1.197 785 K HN 0.507 nan 8.250 nan 0.000 0.441 786 N N 0.610 119.315 118.700 0.008 0.000 2.411 786 N HA -0.074 4.666 4.740 0.001 0.000 0.261 786 N C 0.475 175.989 175.510 0.007 0.000 1.248 786 N CA 1.320 54.373 53.050 0.005 0.000 0.885 786 N CB 0.265 38.754 38.487 0.003 0.000 1.062 786 N HN 0.842 nan 8.380 nan 0.000 0.471 787 G N 2.586 111.390 108.800 0.006 0.000 2.194 787 G HA2 -0.212 3.748 3.960 0.001 0.000 0.236 787 G HA3 -0.212 3.748 3.960 0.001 0.000 0.236 787 G C -0.264 174.636 174.900 0.000 0.000 0.987 787 G CA -0.194 44.910 45.100 0.007 0.000 0.635 787 G HN 0.617 nan 8.290 nan 0.000 0.520 788 D N 0.318 120.719 120.400 0.003 0.000 2.362 788 D HA 0.473 5.113 4.640 0.001 0.000 0.242 788 D C 0.996 177.287 176.300 -0.015 0.000 1.132 788 D CA -0.065 53.938 54.000 0.004 0.000 0.907 788 D CB 0.775 41.588 40.800 0.022 0.000 1.195 788 D HN 0.246 nan 8.370 nan 0.000 0.429 789 L N 2.786 123.999 121.223 -0.016 0.000 2.278 789 L HA 0.363 4.703 4.340 0.001 0.000 0.287 789 L C 0.419 177.334 176.870 0.075 0.000 1.072 789 L CA -0.490 54.318 54.840 -0.054 0.000 0.819 789 L CB 0.052 42.071 42.059 -0.067 0.000 1.176 789 L HN 0.248 nan 8.230 nan 0.000 0.435 790 I N 0.999 121.592 120.570 0.039 0.000 2.982 790 I HA 0.630 4.801 4.170 0.001 0.000 0.312 790 I C -0.433 175.721 176.117 0.062 0.000 1.041 790 I CA -1.038 60.317 61.300 0.093 0.000 1.053 790 I CB 2.059 40.099 38.000 0.068 0.000 1.248 790 I HN 0.581 nan 8.210 nan 0.000 0.471 791 R N 2.956 123.524 120.500 0.113 0.000 2.409 791 R HA 0.722 5.062 4.340 0.001 0.000 0.313 791 R C -1.275 175.111 176.300 0.144 0.000 0.953 791 R CA -0.506 55.632 56.100 0.064 0.000 0.849 791 R CB 1.636 31.984 30.300 0.080 0.000 1.171 791 R HN 0.956 nan 8.270 nan 0.000 0.458 792 A N 4.693 127.553 122.820 0.067 0.000 2.290 792 A HA 0.549 4.869 4.320 0.001 0.000 0.310 792 A C -1.300 176.319 177.584 0.058 0.000 1.202 792 A CA -0.466 51.590 52.037 0.031 0.000 0.837 792 A CB 0.335 19.318 19.000 -0.027 0.000 1.139 792 A HN 0.810 nan 8.150 nan 0.000 0.509 793 Y N 0.695 120.905 120.300 -0.150 0.000 2.689 793 Y HA 0.737 5.287 4.550 0.001 0.000 0.333 793 Y C -0.665 175.011 175.900 -0.373 0.000 1.208 793 Y CA -0.965 57.008 58.100 -0.212 0.000 1.055 793 Y CB 1.089 39.462 38.460 -0.146 0.000 1.304 793 Y HN 0.833 nan 8.280 nan 0.000 0.455 794 N N -1.638 116.835 118.700 -0.378 0.000 3.496 794 N HA 0.204 4.945 4.740 0.001 0.000 0.331 794 N C -0.794 174.596 175.510 -0.199 0.000 1.532 794 N CA -0.319 52.127 53.050 -1.007 0.000 0.863 794 N CB 0.026 37.837 38.487 -1.127 0.000 1.927 794 N HN 0.490 nan 8.380 nan 0.000 0.529 795 D N -0.592 119.767 120.400 -0.068 0.000 2.264 795 D HA 0.003 4.643 4.640 0.001 0.000 0.208 795 D C 1.235 177.623 176.300 0.147 0.000 0.966 795 D CA 0.980 55.094 54.000 0.190 0.000 0.864 795 D CB -0.058 40.869 40.800 0.212 0.000 0.933 795 D HN 0.413 nan 8.370 nan 0.000 0.499 796 R N -0.341 120.146 120.500 -0.023 0.000 2.161 796 R HA 0.335 4.676 4.340 0.001 0.000 0.213 796 R C 1.235 177.333 176.300 -0.337 0.000 1.055 796 R CA 0.760 56.806 56.100 -0.091 0.000 0.996 796 R CB 0.453 30.689 30.300 -0.108 0.000 0.901 796 R HN 0.133 nan 8.270 nan 0.000 0.456 797 G N -1.483 106.948 108.800 -0.615 0.000 2.327 797 G HA2 0.217 4.178 3.960 0.001 0.000 0.291 797 G HA3 0.217 4.178 3.960 0.001 0.000 0.291 797 G C -1.401 173.061 174.900 -0.730 0.000 1.290 797 G CA -0.803 43.472 45.100 -1.375 0.000 0.857 797 G HN -0.010 nan 8.290 nan 0.000 0.520 798 S N -1.594 113.782 115.700 -0.540 0.000 2.568 798 S HA 0.840 5.310 4.470 0.001 0.000 0.293 798 S C -0.740 173.771 174.600 -0.148 0.000 1.089 798 S CA -0.593 57.496 58.200 -0.186 0.000 0.945 798 S CB 2.026 65.150 63.200 -0.128 0.000 1.077 798 S HN 1.095 nan 8.310 nan 0.000 0.485 799 V N 2.662 122.507 119.914 -0.116 0.000 2.760 799 V HA 0.513 4.633 4.120 0.001 0.000 0.309 799 V C -1.292 174.729 176.094 -0.122 0.000 1.077 799 V CA -0.656 61.581 62.300 -0.106 0.000 0.910 799 V CB 1.811 33.587 31.823 -0.079 0.000 1.008 799 V HN 0.725 nan 8.190 nan 0.000 0.424 800 I N 5.399 125.869 120.570 -0.167 0.000 2.321 800 I HA 0.594 4.764 4.170 0.001 0.000 0.291 800 I C -0.171 175.945 176.117 -0.001 0.000 0.998 800 I CA 0.199 61.358 61.300 -0.235 0.000 1.227 800 I CB 1.117 38.768 38.000 -0.581 0.000 1.368 800 I HN 0.430 nan 8.210 nan 0.000 0.466 801 L N 4.837 126.063 121.223 0.006 0.000 2.303 801 L HA 0.882 5.223 4.340 0.001 0.000 0.256 801 L C -0.289 176.591 176.870 0.016 0.000 1.034 801 L CA -1.153 53.755 54.840 0.113 0.000 0.832 801 L CB 1.703 43.843 42.059 0.134 0.000 1.403 801 L HN 0.526 nan 8.230 nan 0.000 0.419 802 A N 0.757 123.616 122.820 0.066 0.000 2.274 802 A HA 0.804 5.124 4.320 0.001 0.000 0.309 802 A C -0.105 177.485 177.584 0.010 0.000 1.226 802 A CA -0.375 51.665 52.037 0.005 0.000 0.853 802 A CB 0.891 19.925 19.000 0.057 0.000 1.146 802 A HN 0.719 nan 8.150 nan 0.000 0.518 803 A N 2.190 125.010 122.820 -0.000 0.000 2.354 803 A HA 0.564 4.885 4.320 0.001 0.000 0.269 803 A C 0.135 177.716 177.584 -0.006 0.000 1.109 803 A CA -0.246 51.792 52.037 0.001 0.000 0.800 803 A CB 0.346 19.351 19.000 0.009 0.000 1.045 803 A HN 0.850 nan 8.150 nan 0.000 0.489 804 Q N 2.613 122.403 119.800 -0.016 0.000 2.394 804 Q HA 0.451 4.792 4.340 0.001 0.000 0.261 804 Q C -1.538 174.450 176.000 -0.022 0.000 1.023 804 Q CA -0.450 55.340 55.803 -0.022 0.000 0.720 804 Q CB 1.331 30.047 28.738 -0.038 0.000 1.241 804 Q HN 0.569 nan 8.270 nan 0.000 0.483 805 V N 3.308 123.216 119.914 -0.010 0.000 2.521 805 V HA 0.273 4.394 4.120 0.001 0.000 0.286 805 V C 0.406 176.495 176.094 -0.009 0.000 1.034 805 V CA 0.519 62.815 62.300 -0.005 0.000 1.045 805 V CB 1.133 32.958 31.823 0.002 0.000 0.974 805 V HN 0.792 nan 8.190 nan 0.000 0.480 806 T N 2.946 117.496 114.554 -0.007 0.000 2.816 806 T HA 0.386 4.736 4.350 0.001 0.000 0.299 806 T C 0.045 174.753 174.700 0.014 0.000 1.230 806 T CA -0.550 61.545 62.100 -0.008 0.000 1.007 806 T CB 2.046 70.896 68.868 -0.029 0.000 1.289 806 T HN 0.640 nan 8.240 nan 0.000 0.508 807 E N 0.777 120.985 120.200 0.014 0.000 2.498 807 E HA 0.193 4.543 4.350 0.001 0.000 0.203 807 E C 0.818 177.475 176.600 0.095 0.000 1.013 807 E CA 0.111 56.544 56.400 0.054 0.000 0.927 807 E CB -0.015 29.711 29.700 0.043 0.000 1.012 807 E HN 0.555 nan 8.360 nan 0.000 0.482 808 C N 1.271 120.584 119.300 0.022 0.000 2.377 808 C HA 0.344 4.805 4.460 0.001 0.000 0.341 808 C C 0.632 175.770 174.990 0.246 0.000 1.304 808 C CA -0.135 58.839 59.018 -0.074 0.000 1.690 808 C CB -1.657 25.939 27.740 -0.241 0.000 1.808 808 C HN 0.145 nan 8.230 nan 0.000 0.592 809 L N 0.134 121.569 121.223 0.353 0.000 2.513 809 L HA 0.331 4.671 4.340 0.001 0.000 0.261 809 L C -0.289 176.711 176.870 0.217 0.000 0.945 809 L CA -0.328 54.711 54.840 0.331 0.000 0.848 809 L CB 1.372 43.534 42.059 0.172 0.000 1.334 809 L HN 0.099 nan 8.230 nan 0.000 0.407 810 Q N 3.181 123.059 119.800 0.130 0.000 2.364 810 Q HA 0.229 4.569 4.340 0.001 0.000 0.267 810 Q C -2.276 173.741 176.000 0.028 0.000 0.999 810 Q CA -1.371 54.447 55.803 0.025 0.000 0.886 810 Q CB 1.086 29.791 28.738 -0.054 0.000 1.243 810 Q HN 0.233 nan 8.270 nan 0.000 0.415 811 P HA -0.012 nan 4.420 nan 0.000 0.260 811 P C -0.064 177.235 177.300 -0.002 0.000 1.185 811 P CA 1.364 64.469 63.100 0.008 0.000 0.763 811 P CB 0.409 32.109 31.700 -0.001 0.000 0.776 812 G N 1.661 110.463 108.800 0.003 0.000 2.184 812 G HA2 -0.151 3.809 3.960 0.001 0.000 0.206 812 G HA3 -0.151 3.809 3.960 0.001 0.000 0.206 812 G C 0.082 174.982 174.900 0.000 0.000 0.995 812 G CA -0.266 44.832 45.100 -0.004 0.000 0.651 812 G HN 0.559 nan 8.290 nan 0.000 0.511 813 T N 1.172 115.734 114.554 0.014 0.000 2.792 813 T HA 0.661 5.011 4.350 0.001 0.000 0.280 813 T C 0.120 174.839 174.700 0.030 0.000 0.990 813 T CA 0.128 62.242 62.100 0.024 0.000 0.960 813 T CB 2.396 71.292 68.868 0.047 0.000 0.939 813 T HN 1.336 nan 8.240 nan 0.000 0.439 814 V N 0.754 120.678 119.914 0.016 0.000 2.815 814 V HA 0.735 4.855 4.120 0.001 0.000 0.314 814 V C -0.766 175.340 176.094 0.019 0.000 1.064 814 V CA -0.864 61.442 62.300 0.011 0.000 0.952 814 V CB 2.025 33.843 31.823 -0.010 0.000 1.020 814 V HN 0.952 nan 8.190 nan 0.000 0.439 815 H N 2.005 120.989 119.070 -0.143 0.000 2.679 815 H HA 0.750 5.306 4.556 0.001 0.000 0.360 815 H C -1.552 173.624 175.328 -0.252 0.000 1.105 815 H CA -0.080 55.828 56.048 -0.233 0.000 1.196 815 H CB 2.163 31.670 29.762 -0.425 0.000 1.636 815 H HN 0.948 nan 8.280 nan 0.000 0.531 816 S N 5.076 120.487 115.700 -0.482 0.000 2.626 816 S HA 0.290 4.760 4.470 0.001 0.000 0.275 816 S C -1.352 173.156 174.600 -0.153 0.000 1.175 816 S CA -0.523 57.565 58.200 -0.186 0.000 0.982 816 S CB 0.258 63.493 63.200 0.058 0.000 1.093 816 S HN 0.535 nan 8.310 nan 0.000 0.472 817 Y N 2.733 123.085 120.300 0.087 0.000 2.550 817 Y HA 0.158 4.709 4.550 0.001 0.000 0.343 817 Y C 1.348 177.518 175.900 0.450 0.000 1.245 817 Y CA 0.096 58.331 58.100 0.225 0.000 1.462 817 Y CB 0.579 39.197 38.460 0.263 0.000 1.340 817 Y HN 0.770 nan 8.280 nan 0.000 0.604 818 E N -1.115 119.344 120.200 0.431 0.000 2.961 818 E HA 0.470 4.821 4.350 0.001 0.000 0.254 818 E C -0.060 176.619 176.600 0.133 0.000 1.192 818 E CA -0.291 56.214 56.400 0.176 0.000 1.069 818 E CB 0.687 30.436 29.700 0.081 0.000 1.338 818 E HN 0.500 nan 8.360 nan 0.000 0.596 819 S N -2.386 113.291 115.700 -0.040 0.000 3.361 819 S HA -0.252 4.218 4.470 0.001 0.000 0.288 819 S C 0.353 174.848 174.600 -0.175 0.000 1.269 819 S CA 0.549 58.719 58.200 -0.050 0.000 0.976 819 S CB -2.751 60.516 63.200 0.111 0.000 1.162 819 S HN 0.829 nan 8.310 nan 0.000 0.643 820 C N 2.001 120.997 119.300 -0.506 0.000 2.563 820 C HA 0.456 4.916 4.460 0.001 0.000 0.411 820 C C 1.866 176.647 174.990 -0.348 0.000 1.386 820 C CA 0.453 59.010 59.018 -0.768 0.000 1.703 820 C CB -0.138 26.867 27.740 -1.226 0.000 2.596 820 C HN 0.814 nan 8.230 nan 0.000 0.605 821 A N 4.476 127.162 122.820 -0.223 0.000 2.147 821 A HA 0.312 4.632 4.320 0.001 0.000 0.211 821 A C 0.645 178.143 177.584 -0.145 0.000 1.160 821 A CA 0.388 52.325 52.037 -0.166 0.000 0.781 821 A CB -0.053 18.850 19.000 -0.161 0.000 0.842 821 A HN 0.849 nan 8.150 nan 0.000 0.475 822 V N 0.907 120.734 119.914 -0.144 0.000 2.348 822 V HA 0.209 4.330 4.120 0.001 0.000 0.270 822 V C -0.681 175.389 176.094 -0.039 0.000 1.037 822 V CA -0.413 61.830 62.300 -0.095 0.000 0.872 822 V CB 0.308 32.077 31.823 -0.090 0.000 1.002 822 V HN 0.397 nan 8.190 nan 0.000 0.464 823 Y N 4.395 124.610 120.300 -0.142 0.000 2.434 823 Y HA 0.579 5.130 4.550 0.001 0.000 0.341 823 Y C -0.291 175.558 175.900 -0.085 0.000 0.965 823 Y CA -1.378 56.656 58.100 -0.111 0.000 1.205 823 Y CB 1.178 39.591 38.460 -0.078 0.000 1.121 823 Y HN 0.676 nan 8.280 nan 0.000 0.507 824 D N 8.993 129.100 120.400 -0.490 0.000 2.400 824 D HA 0.351 4.992 4.640 0.001 0.000 0.272 824 D C -3.060 172.955 176.300 -0.475 0.000 1.220 824 D CA -2.345 51.394 54.000 -0.435 0.000 0.897 824 D CB 1.281 41.975 40.800 -0.177 0.000 1.134 824 D HN 0.242 nan 8.370 nan 0.000 0.507 825 P HA 0.113 nan 4.420 nan 0.000 0.268 825 P C 0.969 178.165 177.300 -0.174 0.000 1.204 825 P CA -0.166 62.722 63.100 -0.353 0.000 0.768 825 P CB 0.984 32.508 31.700 -0.294 0.000 0.842 826 L N 1.044 122.221 121.223 -0.077 0.000 2.418 826 L HA 0.177 4.517 4.340 0.001 0.000 0.218 826 L C 1.449 178.333 176.870 0.023 0.000 1.125 826 L CA 0.836 55.666 54.840 -0.016 0.000 0.835 826 L CB -0.426 41.665 42.059 0.054 0.000 0.953 826 L HN 0.548 nan 8.230 nan 0.000 0.454 827 G N -1.102 107.718 108.800 0.034 0.000 3.214 827 G HA2 0.229 4.189 3.960 0.001 0.000 0.188 827 G HA3 0.229 4.189 3.960 0.001 0.000 0.188 827 G C -0.723 174.208 174.900 0.051 0.000 1.126 827 G CA -0.200 44.930 45.100 0.050 0.000 0.796 827 G HN -0.143 nan 8.290 nan 0.000 0.631 828 T N 1.780 116.382 114.554 0.079 0.000 2.902 828 T HA 0.459 4.809 4.350 0.001 0.000 0.301 828 T C 0.761 175.551 174.700 0.150 0.000 1.012 828 T CA 0.465 62.624 62.100 0.099 0.000 1.151 828 T CB 0.818 69.748 68.868 0.104 0.000 0.946 828 T HN 0.882 nan 8.240 nan 0.000 0.542 829 A N 2.797 125.725 122.820 0.180 0.000 2.546 829 A HA 0.469 4.790 4.320 0.001 0.000 0.243 829 A C 1.687 179.480 177.584 0.348 0.000 1.063 829 A CA 0.207 52.443 52.037 0.332 0.000 0.757 829 A CB -0.869 18.387 19.000 0.426 0.000 0.991 829 A HN 1.649 nan 8.150 nan 0.000 0.503 830 G N 1.867 110.899 108.800 0.387 0.000 2.184 830 G HA2 -0.286 3.675 3.960 0.001 0.000 0.264 830 G HA3 -0.286 3.675 3.960 0.001 0.000 0.264 830 G C 0.586 175.620 174.900 0.224 0.000 0.975 830 G CA 0.999 46.248 45.100 0.249 0.000 0.642 830 G HN 0.853 nan 8.290 nan 0.000 0.536 831 K N -0.244 120.304 120.400 0.247 0.000 2.533 831 K HA 0.355 4.675 4.320 0.001 0.000 0.202 831 K C 0.471 177.257 176.600 0.310 0.000 1.096 831 K CA 0.619 57.061 56.287 0.258 0.000 1.056 831 K CB 1.033 33.638 32.500 0.175 0.000 0.890 831 K HN 0.595 nan 8.250 nan 0.000 0.552 832 S N -0.813 115.078 115.700 0.318 0.000 2.705 832 S HA 0.707 5.177 4.470 0.001 0.000 0.280 832 S C -0.676 174.087 174.600 0.272 0.000 1.174 832 S CA -1.064 57.328 58.200 0.320 0.000 0.823 832 S CB 1.491 64.804 63.200 0.188 0.000 1.162 832 S HN 0.066 nan 8.310 nan 0.000 0.487 833 A N 0.487 123.460 122.820 0.255 0.000 2.462 833 A HA 0.529 4.849 4.320 0.001 0.000 0.243 833 A C -0.118 177.467 177.584 0.002 0.000 1.076 833 A CA 0.080 52.189 52.037 0.119 0.000 0.773 833 A CB -0.520 18.567 19.000 0.145 0.000 1.010 833 A HN 0.875 nan 8.150 nan 0.000 0.493 834 D N -0.229 120.141 120.400 -0.050 0.000 2.198 834 D HA 0.493 5.133 4.640 0.001 0.000 0.247 834 D C 0.784 177.004 176.300 -0.133 0.000 1.010 834 D CA -0.619 53.319 54.000 -0.103 0.000 0.880 834 D CB 0.934 41.732 40.800 -0.003 0.000 1.209 834 D HN 0.518 nan 8.370 nan 0.000 0.451 835 R N 1.769 122.174 120.500 -0.158 0.000 2.509 835 R HA 0.318 4.659 4.340 0.001 0.000 0.297 835 R C 1.308 177.610 176.300 0.003 0.000 0.951 835 R CA -0.152 55.881 56.100 -0.112 0.000 1.103 835 R CB 0.203 30.346 30.300 -0.262 0.000 1.283 835 R HN 0.411 nan 8.270 nan 0.000 0.534 836 G N 1.013 109.788 108.800 -0.042 0.000 2.404 836 G HA2 0.095 4.055 3.960 0.001 0.000 0.215 836 G HA3 0.095 4.055 3.960 0.001 0.000 0.215 836 G C 1.077 175.941 174.900 -0.061 0.000 1.174 836 G CA 0.964 46.053 45.100 -0.019 0.000 0.780 836 G HN 0.625 nan 8.290 nan 0.000 0.537 837 G N -2.360 106.355 108.800 -0.141 0.000 2.161 837 G HA2 -0.152 3.808 3.960 0.001 0.000 0.140 837 G HA3 -0.152 3.808 3.960 0.001 0.000 0.140 837 G C 0.110 174.635 174.900 -0.624 0.000 1.040 837 G CA -0.170 44.737 45.100 -0.322 0.000 0.735 837 G HN 0.530 nan 8.290 nan 0.000 0.496 838 C N 2.584 121.679 119.300 -0.342 0.000 2.612 838 C HA 0.244 4.705 4.460 0.001 0.000 0.403 838 C C 2.272 177.121 174.990 -0.234 0.000 1.056 838 C CA -0.548 58.287 59.018 -0.305 0.000 1.256 838 C CB -1.785 25.869 27.740 -0.143 0.000 1.741 838 C HN 0.451 nan 8.230 nan 0.000 0.542 839 I N 2.714 123.127 120.570 -0.262 0.000 2.335 839 I HA -0.146 4.024 4.170 0.001 0.000 0.251 839 I C 2.097 178.139 176.117 -0.126 0.000 1.129 839 I CA 1.472 62.688 61.300 -0.139 0.000 1.402 839 I CB -0.688 37.278 38.000 -0.057 0.000 1.069 839 I HN 0.615 nan 8.210 nan 0.000 0.424 840 N N 0.831 119.444 118.700 -0.145 0.000 2.609 840 N HA -0.057 4.684 4.740 0.001 0.000 0.190 840 N C 1.757 177.191 175.510 -0.126 0.000 1.157 840 N CA 0.538 53.511 53.050 -0.129 0.000 0.918 840 N CB -0.030 38.365 38.487 -0.153 0.000 0.978 840 N HN 0.440 nan 8.380 nan 0.000 0.448 841 I N 0.069 120.559 120.570 -0.133 0.000 2.546 841 I HA -0.155 4.015 4.170 0.001 0.000 0.255 841 I C 1.577 177.609 176.117 -0.140 0.000 1.163 841 I CA 0.743 61.964 61.300 -0.131 0.000 1.457 841 I CB 0.121 38.041 38.000 -0.134 0.000 1.092 841 I HN 0.073 nan 8.210 nan 0.000 0.434 842 L N -0.116 121.026 121.223 -0.136 0.000 2.477 842 L HA 0.059 4.399 4.340 0.001 0.000 0.220 842 L C 1.178 177.986 176.870 -0.103 0.000 1.106 842 L CA 0.000 54.755 54.840 -0.142 0.000 0.851 842 L CB -0.616 41.351 42.059 -0.153 0.000 0.994 842 L HN 0.265 nan 8.230 nan 0.000 0.462 843 T N -1.060 113.448 114.554 -0.077 0.000 2.918 843 T HA 0.215 4.565 4.350 0.001 0.000 0.302 843 T C -2.379 172.319 174.700 -0.002 0.000 1.045 843 T CA -1.668 60.408 62.100 -0.039 0.000 1.114 843 T CB 0.660 69.506 68.868 -0.037 0.000 0.965 843 T HN -0.092 nan 8.240 nan 0.000 0.540 844 P HA 0.173 nan 4.420 nan 0.000 0.271 844 P C -0.097 177.269 177.300 0.110 0.000 1.220 844 P CA -0.196 62.985 63.100 0.135 0.000 0.768 844 P CB 0.744 32.649 31.700 0.342 0.000 0.848 845 D N 2.376 122.792 120.400 0.027 0.000 2.350 845 D HA -0.024 4.616 4.640 0.001 0.000 0.213 845 D C 0.823 177.055 176.300 -0.114 0.000 1.031 845 D CA 0.052 54.023 54.000 -0.047 0.000 0.861 845 D CB -0.279 40.458 40.800 -0.106 0.000 0.926 845 D HN 0.327 nan 8.370 nan 0.000 0.520 846 R N 0.501 120.951 120.500 -0.083 0.000 2.570 846 R HA 0.021 4.361 4.340 0.001 0.000 0.277 846 R C -0.477 175.799 176.300 -0.041 0.000 1.039 846 R CA -0.350 55.608 56.100 -0.237 0.000 1.065 846 R CB 0.125 30.078 30.300 -0.577 0.000 0.964 846 R HN 0.044 nan 8.270 nan 0.000 0.428 847 Y N 4.026 124.272 120.300 -0.090 0.000 2.597 847 Y HA -0.100 4.451 4.550 0.001 0.000 0.336 847 Y C 1.902 177.859 175.900 0.095 0.000 1.216 847 Y CA -0.529 57.558 58.100 -0.023 0.000 1.463 847 Y CB 0.590 38.996 38.460 -0.089 0.000 1.303 847 Y HN 0.593 nan 8.280 nan 0.000 0.576 848 I N 1.038 121.825 120.570 0.362 0.000 2.367 848 I HA -0.321 3.849 4.170 0.001 0.000 0.256 848 I C 1.135 177.494 176.117 0.403 0.000 1.132 848 I CA 1.451 63.001 61.300 0.417 0.000 1.397 848 I CB -0.365 37.743 38.000 0.180 0.000 1.074 848 I HN 0.414 nan 8.210 nan 0.000 0.435 849 S N -1.469 114.327 115.700 0.159 0.000 2.643 849 S HA 0.243 4.713 4.470 0.001 0.000 0.270 849 S C 0.538 175.130 174.600 -0.013 0.000 1.166 849 S CA -0.832 57.434 58.200 0.111 0.000 0.815 849 S CB 1.587 64.893 63.200 0.176 0.000 1.139 849 S HN 0.088 nan 8.310 nan 0.000 0.472 850 K N -0.091 120.276 120.400 -0.056 0.000 2.057 850 K HA -0.063 4.257 4.320 0.001 0.000 0.207 850 K C 0.572 176.945 176.600 -0.378 0.000 1.049 850 K CA 1.930 58.059 56.287 -0.263 0.000 0.931 850 K CB -0.256 31.994 32.500 -0.418 0.000 0.714 850 K HN 0.693 nan 8.250 nan 0.000 0.440 851 Y N -1.168 119.193 120.300 0.103 0.000 2.481 851 Y HA 0.366 4.916 4.550 0.001 0.000 0.247 851 Y C 0.284 176.119 175.900 -0.109 0.000 1.151 851 Y CA -0.294 57.866 58.100 0.100 0.000 1.238 851 Y CB 0.860 39.529 38.460 0.349 0.000 1.179 851 Y HN -0.011 nan 8.280 nan 0.000 0.524 852 A N -0.101 122.636 122.820 -0.139 0.000 3.015 852 A HA 0.300 4.620 4.320 0.001 0.000 0.293 852 A C 0.056 176.873 177.584 -1.278 0.000 1.572 852 A CA -0.428 51.253 52.037 -0.593 0.000 1.274 852 A CB -1.367 17.560 19.000 -0.121 0.000 1.156 852 A HN 0.470 nan 8.150 nan 0.000 0.562 853 C N 2.211 120.431 119.300 -1.799 0.000 3.837 853 C HA 0.382 4.843 4.460 0.001 0.000 0.585 853 C C 1.488 175.793 174.990 -1.142 0.000 1.112 853 C CA 0.011 57.872 59.018 -1.928 0.000 1.153 853 C CB -2.190 24.727 27.740 -1.372 0.000 1.405 853 C HN 0.802 nan 8.230 nan 0.000 0.646 854 G N 0.769 109.131 108.800 -0.729 0.000 2.644 854 G HA2 0.702 4.663 3.960 0.001 0.000 0.307 854 G HA3 0.702 4.663 3.960 0.001 0.000 0.307 854 G C -0.470 174.551 174.900 0.201 0.000 1.250 854 G CA -0.910 44.169 45.100 -0.036 0.000 0.996 854 G HN 0.538 nan 8.290 nan 0.000 0.489 855 M N -0.025 119.707 119.600 0.220 0.000 2.249 855 M HA 0.678 5.159 4.480 0.001 0.000 0.351 855 M C 0.107 176.501 176.300 0.156 0.000 1.180 855 M CA -0.534 54.875 55.300 0.181 0.000 1.127 855 M CB 1.944 34.615 32.600 0.118 0.000 1.546 855 M HN 0.434 nan 8.290 nan 0.000 0.461 856 A N 2.892 125.805 122.820 0.155 0.000 2.749 856 A HA 0.297 4.617 4.320 0.001 0.000 0.299 856 A C 0.392 177.981 177.584 0.008 0.000 1.105 856 A CA -0.693 51.388 52.037 0.073 0.000 0.987 856 A CB -0.732 18.309 19.000 0.068 0.000 1.180 856 A HN 1.019 nan 8.150 nan 0.000 0.528 857 N N 1.401 120.119 118.700 0.029 0.000 2.060 857 N HA -0.196 4.545 4.740 0.001 0.000 0.195 857 N C 0.956 176.453 175.510 -0.023 0.000 1.028 857 N CA 1.681 54.733 53.050 0.003 0.000 0.861 857 N CB -0.317 38.172 38.487 0.003 0.000 1.029 857 N HN 0.437 nan 8.380 nan 0.000 0.428 858 N N 0.137 118.827 118.700 -0.016 0.000 2.680 858 N HA -0.052 4.688 4.740 0.001 0.000 0.197 858 N C -0.404 175.078 175.510 -0.047 0.000 1.288 858 N CA 0.752 53.788 53.050 -0.023 0.000 0.924 858 N CB -0.398 38.086 38.487 -0.005 0.000 1.025 858 N HN 0.449 nan 8.380 nan 0.000 0.447 859 T N -2.207 112.295 114.554 -0.087 0.000 3.077 859 T HA 0.731 5.081 4.350 0.001 0.000 0.359 859 T C -0.576 174.059 174.700 -0.108 0.000 1.108 859 T CA -0.946 61.078 62.100 -0.128 0.000 1.170 859 T CB 1.315 70.046 68.868 -0.228 0.000 1.045 859 T HN 0.074 nan 8.240 nan 0.000 0.505 860 A N 3.995 126.773 122.820 -0.069 0.000 2.374 860 A HA 0.793 5.113 4.320 0.001 0.000 0.305 860 A C -0.615 176.942 177.584 -0.045 0.000 1.053 860 A CA -0.933 51.075 52.037 -0.049 0.000 0.726 860 A CB 1.237 20.202 19.000 -0.059 0.000 1.229 860 A HN 0.857 nan 8.150 nan 0.000 0.431 861 L N 3.022 124.234 121.223 -0.018 0.000 2.275 861 L HA 0.682 5.023 4.340 0.001 0.000 0.288 861 L C 0.118 176.945 176.870 -0.073 0.000 1.046 861 L CA -0.564 54.282 54.840 0.010 0.000 0.805 861 L CB 1.354 43.478 42.059 0.109 0.000 1.193 861 L HN 0.728 nan 8.230 nan 0.000 0.426 862 V N 0.378 120.243 119.914 -0.082 0.000 3.181 862 V HA 0.776 4.897 4.120 0.001 0.000 0.307 862 V C -1.419 174.585 176.094 -0.151 0.000 1.310 862 V CA -0.675 61.481 62.300 -0.240 0.000 1.067 862 V CB 2.335 34.008 31.823 -0.249 0.000 1.081 862 V HN 0.698 nan 8.190 nan 0.000 0.453 863 E N 0.599 120.585 120.200 -0.358 0.000 2.317 863 E HA 0.786 5.137 4.350 0.001 0.000 0.270 863 E C -1.126 175.302 176.600 -0.288 0.000 0.885 863 E CA -0.489 55.740 56.400 -0.285 0.000 0.760 863 E CB 1.905 31.413 29.700 -0.319 0.000 1.227 863 E HN 1.124 nan 8.360 nan 0.000 0.434 864 I N -0.126 120.423 120.570 -0.035 0.000 2.730 864 I HA 0.779 4.950 4.170 0.001 0.000 0.298 864 I C -0.959 175.256 176.117 0.164 0.000 1.089 864 I CA -0.840 60.509 61.300 0.082 0.000 1.041 864 I CB 2.169 40.194 38.000 0.041 0.000 1.235 864 I HN 0.613 nan 8.210 nan 0.000 0.423 865 E N 3.474 123.802 120.200 0.212 0.000 2.412 865 E HA 0.446 4.796 4.350 0.001 0.000 0.279 865 E C -1.625 175.076 176.600 0.169 0.000 0.984 865 E CA -1.270 55.241 56.400 0.185 0.000 0.788 865 E CB 1.778 31.613 29.700 0.224 0.000 1.277 865 E HN 0.524 nan 8.360 nan 0.000 0.455 866 K N 1.075 121.557 120.400 0.137 0.000 2.448 866 K HA -0.007 4.314 4.320 0.001 0.000 0.278 866 K C -0.699 176.028 176.600 0.212 0.000 1.009 866 K CA -0.188 56.185 56.287 0.142 0.000 0.995 866 K CB 0.421 32.974 32.500 0.089 0.000 0.917 866 K HN 0.489 nan 8.250 nan 0.000 0.481 867 W N 5.362 126.682 121.300 0.033 0.000 2.469 867 W HA -0.018 4.643 4.660 0.001 0.000 0.321 867 W C 0.455 177.011 176.519 0.062 0.000 1.415 867 W CA -0.530 56.849 57.345 0.057 0.000 1.308 867 W CB 0.083 29.563 29.460 0.034 0.000 1.368 867 W HN 0.673 nan 8.180 nan 0.000 0.546 868 D N 2.830 123.121 120.400 -0.183 0.000 2.347 868 D HA 0.083 4.723 4.640 0.001 0.000 0.215 868 D C 1.692 177.572 176.300 -0.700 0.000 0.976 868 D CA 0.870 54.675 54.000 -0.324 0.000 0.884 868 D CB -0.146 40.582 40.800 -0.120 0.000 0.915 868 D HN 0.687 nan 8.370 nan 0.000 0.526 869 G N -0.130 107.751 108.800 -1.530 0.000 2.179 869 G HA2 -0.247 3.713 3.960 0.001 0.000 0.220 869 G HA3 -0.247 3.713 3.960 0.001 0.000 0.220 869 G C -0.142 174.490 174.900 -0.446 0.000 0.990 869 G CA 0.006 44.193 45.100 -1.523 0.000 0.646 869 G HN 0.570 nan 8.290 nan 0.000 0.517 870 D N 0.621 120.913 120.400 -0.180 0.000 2.344 870 D HA 0.457 5.097 4.640 0.001 0.000 0.244 870 D C 1.722 178.160 176.300 0.230 0.000 1.134 870 D CA 0.175 54.082 54.000 -0.156 0.000 0.930 870 D CB 0.618 41.020 40.800 -0.663 0.000 1.175 870 D HN 0.412 nan 8.370 nan 0.000 0.437 871 K N 1.328 121.802 120.400 0.124 0.000 2.404 871 K HA 0.007 4.327 4.320 0.001 0.000 0.194 871 K C -0.187 176.604 176.600 0.319 0.000 1.023 871 K CA -0.258 56.191 56.287 0.270 0.000 1.094 871 K CB -0.214 32.378 32.500 0.154 0.000 0.841 871 K HN 0.442 nan 8.250 nan 0.000 0.523 872 Y N 2.050 122.431 120.300 0.136 0.000 2.982 872 Y HA -0.236 4.314 4.550 0.001 0.000 0.192 872 Y C -0.360 175.579 175.900 0.064 0.000 1.397 872 Y CA 0.695 58.848 58.100 0.088 0.000 0.844 872 Y CB -1.868 36.697 38.460 0.176 0.000 1.290 872 Y HN 0.432 nan 8.280 nan 0.000 0.408 873 E N 2.681 122.933 120.200 0.086 0.000 1.932 873 E HA 0.382 4.732 4.350 0.001 0.000 0.259 873 E C 0.825 177.400 176.600 -0.041 0.000 1.099 873 E CA 0.056 56.499 56.400 0.071 0.000 0.970 873 E CB -0.214 29.519 29.700 0.055 0.000 1.143 873 E HN 0.653 nan 8.360 nan 0.000 0.441 874 I N -0.550 119.897 120.570 -0.206 0.000 4.390 874 I HA 0.265 4.436 4.170 0.001 0.000 0.334 874 I C -0.677 175.160 176.117 -0.466 0.000 1.379 874 I CA -0.663 60.425 61.300 -0.354 0.000 1.197 874 I CB 0.101 37.843 38.000 -0.429 0.000 1.396 874 I HN 0.102 nan 8.210 nan 0.000 0.511 875 Y N 0.000 120.355 120.300 0.092 0.000 2.660 875 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 875 Y CA 0.000 58.147 58.100 0.078 0.000 1.940 875 Y CB 0.000 38.508 38.460 0.079 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758